A0A077YVL7_TRITR Loading...

NAD-dependent protein deacylase

NAD-dependent protein deacylase. Catalyzes the NAD-dependent hydrolysis of acyl groups from lysine residues.

AlphaFold DB , UniProt , Accession A0A077YVL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 294 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
1M37.6Very low73.9Confident242 Ų24295.8 Ų95.8100%1.19252%0.519SS*.  0117.60-87.5175.8170.700107.7R3M1-R3 PolarHBondContact O-N 2.91Å; M1-R3 VanDerWaalsContact O-N 3.16Å
2M47.6Very low75.6Confident197 Ų19793.9 Ų93.997%0.9750%0.504SS*.  trans-64.3113165.8-76.9172.8170.400106.4
3R54.6Low77Confident153 Ų15397.4 Ų97.458%0.57752%0.515SS*.  trans-57.7144.5171.3-116.7-179.5-179.4176.2-0.9108.1M1 V5 D174M1-R3 PolarHBondContact O-N 2.91Å; M1-R3 VanDerWaalsContact O-N 3.16Å; R3-V5 PolarHBondContact O-N 3.36Å; R3-D174 IonicContact CZ-OD1 3.11Å; R3-D174 IonicContact CZ-OD2 2.74Å; R3-D174 IonicContact NH1-OD1 3.78Å; R3-D174 PolarHBondContact NH1-OD1 3.12Å; R3-D174 IonicContact NH1-OD2 3.67Å; R3-D174 PolarHBondContact NH1-OD2 3.08Å
4N65.2Low78.3Confident111 Ų11197.9 Ų97.959%0.59453%0.527SS*.  trans-56.6128.9174.4-170.7-11.4000108.7T6 S7N4-T6 PolarHBondContact O-N 3.4Å; N4-T6 PolarHBondContact OD1-N 2.77Å; N4-T6 PolarHBondContact OD1-OG1 3.07Å; N4-S7 VanDerWaalsContact O-CB 3.27Å; N4-S7 WeakPolarHBondContact O-CB 3.49Å; N4-S7 PolarHBondContact O-N 3.19Å; N4-S7 PolarHBondContact O-OG 3.23Å
5V69.5Low79.5Confident78 Ų7892.7 Ų92.747%0.47350%0.501SS..G310 helixtrans-54.7-27.2-176.2-178.40000111.2R3 S7 E44 S45 G46R3-V5 PolarHBondContact O-N 3.36Å; V5-S7 VanDerWaalsContact C-N 3.33Å; V5-S7 PolarHBondContact O-N 3.42Å; V5-E44 WeakPolarHBondContact CG1-O 3.39Å; V5-S45 VanDerWaalsContact CG1-C 3.43Å; V5-G46 VanDerWaalsContact O-CA 3.29Å; V5-G46 WeakPolarHBondContact O-CA 3.35Å; V5-G46 PolarHBondContact O-N 3.46Å
6T75.1Confident80.6Confident77 Ų7795.4 Ų95.447%0.47251%0.506SS..G310 helixtrans-864.8-18066.10000114.7N4 F8 V9N4-T6 PolarHBondContact O-N 3.4Å; N4-T6 PolarHBondContact OD1-N 2.77Å; N4-T6 PolarHBondContact OD1-OG1 3.07Å; T6-F8 PolarHBondContact O-N 3.05Å; T6-F8 VanDerWaalsContact O-N 3.13Å; T6-V9 WeakPolarHBondContact O-CB 3.49Å; T6-V9 PolarHBondContact O-N 3.41Å
7S86.1Confident81.5Confident43 Ų4394.6 Ų94.630%0.30152%0.516SS..G310 helixtrans-64.1-16.9-176.555.40000114.6N4 V5N4-S7 VanDerWaalsContact O-CB 3.27Å; N4-S7 WeakPolarHBondContact O-CB 3.49Å; N4-S7 PolarHBondContact O-N 3.19Å; N4-S7 PolarHBondContact O-OG 3.23Å; V5-S7 VanDerWaalsContact C-N 3.33Å; V5-S7 PolarHBondContact O-N 3.42Å
8F93Very high82.4Confident16 Ų1695.3 Ų95.37%0.0752%0.519CS..G310 helixtrans-100.61.8175.7-59.1-52.7000114.6T6 P10 T43 G46 P48 V55 R60 D174T6-F8 PolarHBondContact O-N 3.05Å; T6-F8 VanDerWaalsContact O-N 3.13Å; F8-P10 WeakPolarHBondContact O-CD 3.45Å; F8-T43 WeakPolarHBondContact O-CG2 3.43Å; F8-G46 VanDerWaalsContact CD2-O 3.31Å; F8-G46 WeakPolarHBondContact CD2-O 3.49Å; F8-G46 VanDerWaalsContact CE2-O 3.24Å; F8-G46 WeakPolarHBondContact CE2-O 3.42Å; F8-P48 HydrophobicContact CB-CB 4.19Å; F8-P48 HydrophobicContact CD1-CB 3.72Å; F8-P48 HydrophobicContact CD2-CB 4.09Å; F8-P48 HydrophobicContact CD2-CG 4.43Å; F8-P48 HydrophobicContact CE1-CB 4.08Å; F8-P48 HydrophobicContact CE1-CG 4.48Å; F8-P48 HydrophobicContact CE2-CB 4.41Å; F8-P48 HydrophobicContact CE2-CG 4.35Å; F8-P48 HydrophobicContact CG-CB 3.73Å; F8-P48 HydrophobicContact CZ-CB 4.4Å; F8-P48 HydrophobicContact CZ-CG 4.38Å; F8-V55 WeakPolarHBondContact O-CG2 3.38Å; F8-R60 VanDerWaalsContact CE1-CZ 3.45Å; F8-D174 HydrophobicContact CZ-CB 4.35Å
9V95Very high83.2Confident25 Ų2591.9 Ų91.915%0.15250%0.501CS..SBendtrans-80.1117172.7-176.80000107.3T6 E44 I263T6-V9 WeakPolarHBondContact O-CB 3.49Å; T6-V9 PolarHBondContact O-N 3.41Å; V9-E44 HydrophobicContact CG2-CG 3.83Å; V9-I263 HydrophobicContact CG1-CD1 4Å
10P94.4Very high83.9Confident10 Ų1088 Ų887%0.06548%0.479CS..PPolyproline II helixtrans-63.9161.6176.527.9-37.2000111.5F8 H12 S52 V55 I263F8-P10 WeakPolarHBondContact O-CD 3.45Å; P10-H12 PolarHBondContact O-N 3.44Å; P10-H12 PolarHBondContact O-ND1 3.24Å; P10-S52 VanDerWaalsContact CG-OG 3.31Å; P10-S52 WeakPolarHBondContact CG-OG 3.44Å; P10-V55 HydrophobicContact CB-CG2 3.94Å; P10-I263 HydrophobicContact CB-CG2 4.35Å; P10-I263 HydrophobicContact CG-CB 3.94Å; P10-I263 HydrophobicContact CG-CD1 3.66Å; P10-I263 HydrophobicContact CG-CG1 4.41Å; P10-I263 HydrophobicContact CG-CG2 3.66Å
11A94.4Very high84.4Confident102 Ų10286.4 Ų86.484%0.84347%0.474SS*.PPolyproline II helixtrans-55.8135.3169.800000110
12H94.4Very high87.3Confident73 Ų7379.9 Ų79.934%0.33844%0.436SS..  trans-151.1156.9-177.657.7-81.2000110.3P10 I263 K279P10-H12 PolarHBondContact O-N 3.44Å; P10-H12 PolarHBondContact O-ND1 3.24Å; H12-I263 HydrophobicContact CB-CD1 4.06Å; H12-I263 HydrophobicContact CB-CG1 4.05Å; H12-I263 HydrophobicContact CB-CG2 3.83Å; H12-K279 VanDerWaalsContact NE2-CD 3.33Å; H12-K279 WeakPolarHBondContact NE2-CD 3.31Å; H12-K279 VanDerWaalsContact NE2-CE 3.31Å; H12-K279 WeakPolarHBondContact NE2-CE 3.16Å; H12-K279 WeakPolarHBondContact NE2-CG 3.47Å
13E94.4Very high89.6Confident139 Ų13970.5 Ų70.565%0.6539%0.39SS*.PPolyproline II helixtrans-91.5158.7171.7-68.6-177.5178.200110.2
14P94.9Very high91.6Very high105 Ų10567.2 Ų67.268%0.68238%0.378SS*.PPolyproline II helixtrans-59.8153.516727.4-35.1000110.8K16P14-K16 PolarHBondContact O-N 3.18Å
15P96.5Very high93Very high20 Ų2066 Ų6613%0.1337%0.372CS..PPolyproline II helixtrans-63.2135.817927.9-33.8000110.4V276 T282 V283 L286P15-V276 HydrophobicContact CB-CG1 3.48Å; P15-V276 VanDerWaalsContact CB-CG1 3.48Å; P15-T282 HydrophobicContact CG-CG2 4.29Å; P15-V283 HydrophobicContact CB-CG2 4.13Å; P15-V283 HydrophobicContact CG-CG2 4.4Å; P15-L286 HydrophobicContact CG-CD1 3.87Å
16K97.4Very high94.3Very high136 Ų13664 Ų6459%0.59136%0.357SS*.PPolyproline II helixtrans-64.5137.5173.3-63-179.1-178.6175.40109.6P14 D18 D19 L20P14-K16 PolarHBondContact O-N 3.18Å; K16-D18 VanDerWaalsContact C-N 3.32Å; K16-D18 PolarHBondContact O-N 3.04Å; K16-D19 HydrophobicContact CB-CB 4.34Å; K16-D19 PolarHBondContact O-N 3.27Å; K16-L20 WeakPolarHBondContact O-CB 3.33Å; K16-L20 PolarHBondContact O-N 2.78Å
17A95.7Very high95.3Very high82 Ų8260.9 Ų60.968%0.67834%0.337SS*.Hα-helixtrans-60.3-39.6-175.300000113L20 S21A17-L20 PolarHBondContact O-N 3.25Å; A17-S21 WeakPolarHBondContact O-CB 3.17Å; A17-S21 PolarHBondContact O-N 2.78Å
18D97.6Very high95.6Very high106 Ų10660.3 Ų60.357%0.56734%0.335SS*.Hα-helixtrans-65.5-49.3178.2-173.165.1000111.9K16 L20 S21 R22K16-D18 VanDerWaalsContact C-N 3.32Å; K16-D18 PolarHBondContact O-N 3.04Å; D18-L20 VanDerWaalsContact C-N 3.26Å; D18-L20 PolarHBondContact O-N 3.31Å; D18-S21 PolarHBondContact O-N 2.91Å; D18-S21 VanDerWaalsContact O-N 3.13Å; D18-R22 WeakPolarHBondContact O-CG 3.14Å; D18-R22 PolarHBondContact O-N 2.73Å; D18-R22 WeakPolarHBondContact OD2-CD 3.35Å
19D97.6Very high95.7Very high32 Ų3265.6 Ų65.617%0.17136%0.358CS..Hα-helixtrans-58.5-40.5176.9-63.4-28.3000111.2K16 L23 V274 V276K16-D19 HydrophobicContact CB-CB 4.34Å; K16-D19 PolarHBondContact O-N 3.27Å; D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 PolarHBondContact O-N 2.7Å; D19-V274 WeakPolarHBondContact O-CG1 3.3Å; D19-V276 HydrophobicContact CB-CG2 4.01Å
20L96.3Very high95.7Very high13 Ų1364.7 Ų64.77%0.06835%0.353CS..Hα-helixtrans-67.5-40.2177.2-177.663.6000112.4K16 A17 D18 L23 R24 V283 L286 V287K16-L20 WeakPolarHBondContact O-CB 3.33Å; K16-L20 PolarHBondContact O-N 2.78Å; A17-L20 PolarHBondContact O-N 3.25Å; D18-L20 VanDerWaalsContact C-N 3.26Å; D18-L20 PolarHBondContact O-N 3.31Å; L20-L23 PolarHBondContact O-N 3.22Å; L20-R24 WeakPolarHBondContact O-CG 3.25Å; L20-R24 PolarHBondContact O-N 3.13Å; L20-V283 HydrophobicContact CD1-CG1 4.22Å; L20-L286 HydrophobicContact CD1-CB 4.15Å; L20-L286 HydrophobicContact CD2-CB 3.97Å; L20-L286 HydrophobicContact CD2-CD1 3.88Å; L20-L286 HydrophobicContact CD2-CG 4.49Å; L20-V287 HydrophobicContact CD1-CG1 3.89Å
21S95.7Very high95.6Very high54 Ų5471 Ų7138%0.37838%0.379SS..Hα-helixtrans-62.4-49.3175.2-165.40000110.7A17 D18 L23 R24 D25A17-S21 WeakPolarHBondContact O-CB 3.17Å; A17-S21 PolarHBondContact O-N 2.78Å; D18-S21 PolarHBondContact O-N 2.91Å; D18-S21 VanDerWaalsContact O-N 3.13Å; S21-L23 VanDerWaalsContact C-N 3.29Å; S21-L23 PolarHBondContact O-N 3.31Å; S21-R24 WeakPolarHBondContact O-CB 3.45Å; S21-R24 PolarHBondContact O-N 3.37Å; S21-R24 VanDerWaalsContact O-N 3.13Å; S21-D25 PolarHBondContact O-N 3.48Å
22R97.3Very high95.7Very high105 Ų10572.7 Ų72.740%0.39636%0.364SS..Hα-helixtrans-60.8-39.1177.9-66.9174.662.6-153.1-4.7111.8D18 D25 E26 T273 V274D18-R22 WeakPolarHBondContact O-CG 3.14Å; D18-R22 PolarHBondContact O-N 2.73Å; D18-R22 WeakPolarHBondContact OD2-CD 3.35Å; R22-D25 PolarHBondContact O-N 3.37Å; R22-E26 WeakPolarHBondContact O-CG 3.12Å; R22-E26 PolarHBondContact O-N 3.25Å; R22-T273 PolarHBondContact NH2-O 2.67Å; R22-V274 HydrophobicContact CB-CG1 4.07Å; R22-V274 HydrophobicContact CB-CG2 3.82Å
23L97.6Very high95.9Very high1 Ų169.2 Ų69.21%0.00535%0.348CS..Hα-helixtrans-61.2-46175.2177.364.7000111.2D19 L20 S21 D25 E26 L27 L233 L259 V261 V274 V276 V283 V287D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 PolarHBondContact O-N 2.7Å; L20-L23 PolarHBondContact O-N 3.22Å; S21-L23 VanDerWaalsContact C-N 3.29Å; S21-L23 PolarHBondContact O-N 3.31Å; L23-D25 VanDerWaalsContact C-N 3.34Å; L23-D25 PolarHBondContact O-N 3.14Å; L23-E26 PolarHBondContact O-N 2.82Å; L23-L27 HydrophobicContact CD1-CD1 4.05Å; L23-L27 HydrophobicContact CD1-CG 4.21Å; L23-L27 HydrophobicContact CG-CD1 3.92Å; L23-L27 HydrophobicContact CG-CG 4.48Å; L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.35Å; L23-L27 PolarHBondContact O-N 2.74Å; L23-L233 HydrophobicContact CD1-CD1 4.27Å; L23-L259 HydrophobicContact CD1-CB 3.79Å; L23-L259 HydrophobicContact CD1-CD1 4.05Å; L23-L259 HydrophobicContact CD1-CD2 4.46Å; L23-L259 HydrophobicContact CD1-CG 4.31Å; L23-V261 HydrophobicContact CD2-CG2 3.91Å; L23-V274 HydrophobicContact CB-CG1 4.05Å; L23-V276 HydrophobicContact CB-CG2 3.93Å; L23-V276 HydrophobicContact CD2-CG2 3.69Å; L23-V276 HydrophobicContact CG-CG2 4.35Å; L23-V283 HydrophobicContact CD2-CG1 3.44Å; L23-V283 VanDerWaalsContact CD2-CG1 3.44Å; L23-V287 HydrophobicContact CD2-CG1 3.81Å; L23-V287 HydrophobicContact CG-CG1 4.22Å
24R95.6Very high96.1Very high83 Ų8362.6 Ų62.631%0.31332%0.317SS..Hα-helixtrans-61.3-43.1177.3-71.2173.4-175.9147.3-6.5111.5L20 S21 L27 A28 L286 V287L20-R24 WeakPolarHBondContact O-CG 3.25Å; L20-R24 PolarHBondContact O-N 3.13Å; S21-R24 WeakPolarHBondContact O-CB 3.45Å; S21-R24 PolarHBondContact O-N 3.37Å; S21-R24 VanDerWaalsContact O-N 3.13Å; R24-L27 PolarHBondContact O-N 3.11Å; R24-A28 WeakPolarHBondContact O-CB 3.47Å; R24-A28 PolarHBondContact O-N 2.98Å; R24-L286 VanDerWaalsContact CZ-O 3.23Å; R24-L286 PolarHBondContact NE-O 2.97Å; R24-L286 PolarHBondContact NH2-O 3.37Å; R24-V287 HydrophobicContact CG-CB 4.37Å; R24-V287 HydrophobicContact CG-CG1 3.96Å
25D95.1Very high96.3Very high86 Ų8657.6 Ų57.646%0.4628%0.284SS..Hα-helixtrans-64.2-44.5-179.6-66.5-23.1000112.1S21 R22 L23 A28 K29S21-D25 PolarHBondContact O-N 3.48Å; R22-D25 PolarHBondContact O-N 3.37Å; L23-D25 VanDerWaalsContact C-N 3.34Å; L23-D25 PolarHBondContact O-N 3.14Å; D25-A28 PolarHBondContact O-N 3.35Å; D25-K29 WeakPolarHBondContact O-CG 3.09Å; D25-K29 PolarHBondContact O-N 2.93Å
26E95.7Very high96.4Very high36 Ų3656.7 Ų56.717%0.16828%0.278CS..Hα-helixtrans-68.2-38.7176.8-68.8-53.2127.600112.3R22 L23 K29 S30 L259 T273 V274R22-E26 WeakPolarHBondContact O-CG 3.12Å; R22-E26 PolarHBondContact O-N 3.25Å; L23-E26 PolarHBondContact O-N 2.82Å; E26-K29 PolarHBondContact O-N 3.24Å; E26-K29 IonicContact OE1-NZ 3.36Å; E26-K29 PolarHBondContact OE1-NZ 3.5Å; E26-S30 PolarHBondContact O-N 3.2Å; E26-L259 HydrophobicContact CB-CD1 3.89Å; E26-L259 HydrophobicContact CB-CD2 3.49Å; E26-L259 VanDerWaalsContact CB-CD2 3.49Å; E26-L259 HydrophobicContact CB-CG 4.31Å; E26-L259 HydrophobicContact CG-CD2 3.87Å; E26-T273 HydrophobicContact CG-CG2 4.32Å; E26-V274 HydrophobicContact CG-CG2 3.89Å
27L95.8Very high96.5Very high11 Ų1150.2 Ų50.26%0.05825%0.25CS..Hα-helixtrans-60.2-49.8172.3-73.2171.1000110.1L23 R24 K29 S30 L33 W107 R112 L233 L259 V287L23-L27 HydrophobicContact CD1-CD1 4.05Å; L23-L27 HydrophobicContact CD1-CG 4.21Å; L23-L27 HydrophobicContact CG-CD1 3.92Å; L23-L27 HydrophobicContact CG-CG 4.48Å; L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.35Å; L23-L27 PolarHBondContact O-N 2.74Å; R24-L27 PolarHBondContact O-N 3.11Å; L27-K29 PolarHBondContact O-N 2.97Å; L27-S30 PolarHBondContact O-N 3.46Å; L27-L33 HydrophobicContact CD2-CD1 4.27Å; L27-L33 HydrophobicContact CD2-CD2 3.95Å; L27-W107 HydrophobicContact CD1-CH2 4.22Å; L27-R112 VanDerWaalsContact C-NH2 3.28Å; L27-R112 PolarHBondContact O-NH1 2.93Å; L27-R112 PolarHBondContact O-NH2 3.47Å; L27-L233 HydrophobicContact CD2-CD2 4.35Å; L27-L259 HydrophobicContact CD2-CD1 3.76Å; L27-L259 HydrophobicContact CG-CD1 3.93Å; L27-V287 HydrophobicContact CD1-CB 4.23Å; L27-V287 HydrophobicContact CD1-CG1 4.21Å; L27-V287 HydrophobicContact CD1-CG2 4.39Å
28A93.3Very high96.6Very high31 Ų3146.4 Ų46.426%0.25622%0.219SC..Hα-helixtrans-56.5-28.6-177.400000114R24 D25 V290R24-A28 WeakPolarHBondContact O-CB 3.47Å; R24-A28 PolarHBondContact O-N 2.98Å; D25-A28 PolarHBondContact O-N 3.35Å; A28-V290 HydrophobicContact CB-CB 4.14Å; A28-V290 HydrophobicContact CB-CG1 4.1Å; A28-V290 HydrophobicContact CB-CG2 4.4Å
29K94.4Very high96.6Very high128 Ų12842 Ų4256%0.55720%0.198SC*.Hα-helixtrans-76.7-30.7178.2-65166-164.3172.40113.8D25 E26 L27D25-K29 WeakPolarHBondContact O-CG 3.09Å; D25-K29 PolarHBondContact O-N 2.93Å; E26-K29 PolarHBondContact O-N 3.24Å; E26-K29 IonicContact OE1-NZ 3.36Å; E26-K29 PolarHBondContact OE1-NZ 3.5Å; L27-K29 PolarHBondContact O-N 2.97Å
30S95Very high96.6Very high5 Ų541 Ų414%0.03520%0.195CC..  trans-71.4137.3-175.1172.20000111.5E26 L27 L33 R112 D230E26-S30 PolarHBondContact O-N 3.2Å; L27-S30 PolarHBondContact O-N 3.46Å; S30-L33 PolarHBondContact OG-N 3.45Å; S30-R112 PolarHBondContact O-NH1 2.55Å; S30-D230 WeakPolarHBondContact CA-OD1 3.02Å; S30-D230 VanDerWaalsContact CB-OD1 3.31Å; S30-D230 WeakPolarHBondContact CB-OD1 3.26Å; S30-D230 PolarHBondContact OG-OD1 2.76Å
31K93.9Very high96.7Very high144 Ų14440.4 Ų40.463%0.62619%0.192SC*.SBendtrans-114-21.7172-64.2-174.8178.4-171.30112.1D230K31-D230 WeakPolarHBondContact CA-OD2 3.03Å; K31-D230 PolarHBondContact N-OD1 3.46Å; K31-D230 PolarHBondContact N-OD2 3.05Å
32R96.4Very high96.9Very high137 Ų13737.9 Ų37.952%0.51717%0.174SC..SBendtrans-127.373.8176.5-70-168.6-69.6-94.1-0.9110.2H114 E228 A229 D230R32-H114 HydrophobicContact CB-CB 4.21Å; R32-E228 WeakPolarHBondContact CD-O 3.39Å; R32-E228 PolarHBondContact NE-O 3.34Å; R32-A229 VanDerWaalsContact O-CA 3.23Å; R32-A229 WeakPolarHBondContact O-CA 3.41Å; R32-A229 WeakPolarHBondContact O-CB 3.49Å; R32-D230 VanDerWaalsContact C-OD1 3.3Å; R32-D230 VanDerWaalsContact N-CG 3.32Å; R32-D230 PolarHBondContact N-OD1 3.47Å; R32-D230 VanDerWaalsContact N-OD1 3.13Å; R32-D230 PolarHBondContact N-OD2 3.3Å; R32-D230 PolarHBondContact O-N 3.32Å
33L98.1Very high96.8Very high0 Ų033.1 Ų33.10%016%0.156CC..EExtended strand (participates in β ladder)trans-78.7123179.8-175.367000111.4L27 S30 V35 W107 H114 A231 L233L27-L33 HydrophobicContact CD2-CD1 4.27Å; L27-L33 HydrophobicContact CD2-CD2 3.95Å; S30-L33 PolarHBondContact OG-N 3.45Å; L33-V35 HydrophobicContact CD2-CG2 4.16Å; L33-V35 HydrophobicContact CG-CG2 4.26Å; L33-W107 HydrophobicContact CD2-CE3 4.34Å; L33-W107 HydrophobicContact CD2-CZ3 3.96Å; L33-H114 WeakPolarHBondContact O-CB 3.26Å; L33-H114 PolarHBondContact O-N 2.92Å; L33-A231 HydrophobicContact CD1-CB 4.03Å; L33-L233 HydrophobicContact CD1-CB 4.02Å; L33-L233 HydrophobicContact CD2-CB 4.37Å; L33-L233 HydrophobicContact CG-CB 4.47Å
34V98.8Very high96.8Very high0 Ų034.4 Ų34.40%016%0.163CC..EExtended strand (participates in β ladder)trans-93.4137.1162.8167.90000109.6W115 I117 R225 V226 A229 A231 M232 L233V34-W115 WeakPolarHBondContact CA-O 3.36Å; V34-W115 HydrophobicContact CG2-CB 4.22Å; V34-I117 HydrophobicContact CG1-CD1 4.11Å; V34-R225 WeakPolarHBondContact CG2-O 3.09Å; V34-V226 HydrophobicContact CG1-CG2 4.34Å; V34-A229 HydrophobicContact CB-CB 4.03Å; V34-A229 HydrophobicContact CG2-CB 3.52Å; V34-A231 PolarHBondContact N-O 3.09Å; V34-M232 HydrophobicContact CG1-CE 4.08Å; V34-M232 CarbonylContact O-C 3.54Å; V34-M232 VanDerWaalsContact O-CA 3.26Å; V34-M232 WeakPolarHBondContact O-CA 3.19Å; V34-L233 PolarHBondContact O-N 3.23Å
35V98.8Very high96.8Very high0 Ų031.1 Ų31.10%015%0.152CC..EExtended strand (participates in β ladder)trans-109.4129.7176-179.10000109.2L33 T37 L104 I113 W115 L116 I117 L233 L235L33-V35 HydrophobicContact CD2-CG2 4.16Å; L33-V35 HydrophobicContact CG-CG2 4.26Å; V35-T37 HydrophobicContact CG1-CG2 3.91Å; V35-L104 HydrophobicContact CG1-CD1 4.35Å; V35-L104 HydrophobicContact CG1-CD2 4.08Å; V35-L104 HydrophobicContact CG2-CD2 4.25Å; V35-I113 HydrophobicContact CG2-CD1 3.88Å; V35-I113 HydrophobicContact CG2-CG1 3.87Å; V35-I113 HydrophobicContact CG2-CG2 4.22Å; V35-W115 PolarHBondContact N-O 2.87Å; V35-L116 HydrophobicContact CB-CG 4.22Å; V35-L116 HydrophobicContact CG1-CD1 4.49Å; V35-L116 HydrophobicContact CG1-CG 4.37Å; V35-L116 CarbonylContact O-C 3.52Å; V35-L116 WeakPolarHBondContact O-CA 3.29Å; V35-I117 PolarHBondContact O-N 3.31Å; V35-L233 CarbonylContact C-O 3.52Å; V35-L233 VanDerWaalsContact CA-O 3.31Å; V35-L233 WeakPolarHBondContact CA-O 3.32Å; V35-L233 HydrophobicContact CG2-CB 4.41Å; V35-L235 HydrophobicContact CG1-CD1 4.07Å
36M98.8Very high96.8Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-111.1130.4171.8-178.962.565.700109.4I117 Q119 M232 L233 V234 L235 F247M36-I117 CarbonylContact C-O 3.55Å; M36-I117 VanDerWaalsContact CA-O 3.27Å; M36-I117 WeakPolarHBondContact CA-O 3.28Å; M36-I117 HydrophobicContact CE-CB 3.55Å; M36-I117 HydrophobicContact CE-CD1 3.87Å; M36-I117 HydrophobicContact CE-CG1 4.3Å; M36-I117 HydrophobicContact CE-CG2 3.51Å; M36-I117 HydrophobicContact SD-CB 3.88Å; M36-I117 HydrophobicContact SD-CG2 3.76Å; M36-Q119 HydrophobicContact SD-CG 4.42Å; M36-M232 HydrophobicContact CB-SD 4.26Å; M36-L233 PolarHBondContact N-O 3.38Å; M36-V234 HydrophobicContact CB-CG2 4.29Å; M36-V234 CarbonylContact O-C 3.51Å; M36-V234 VanDerWaalsContact O-CA 3.29Å; M36-V234 WeakPolarHBondContact O-CA 3.41Å; M36-L235 PolarHBondContact O-N 2.95Å; M36-F247 HydrophobicContact CE-CB 3.97Å; M36-F247 HydrophobicContact CE-CD2 3.37Å; M36-F247 HydrophobicContact CE-CE2 4.19Å; M36-F247 HydrophobicContact CE-CG 4Å
37T98.9Very high96.7Very high0 Ų026.7 Ų26.70%014%0.135CC..EExtended strand (participates in β ladder)trans-124.4151.417864.50000112.9V35 I41 L104 L116 I117 T118 Q119 H125 L235V35-T37 HydrophobicContact CG1-CG2 3.91Å; T37-I41 HydrophobicContact CG2-CD1 3.98Å; T37-L104 HydrophobicContact CG2-CD1 4.3Å; T37-L116 HydrophobicContact CG2-CD2 4.45Å; T37-I117 PolarHBondContact N-O 3.38Å; T37-T118 WeakPolarHBondContact OG1-CA 3.29Å; T37-T118 WeakPolarHBondContact OG1-CB 3.33Å; T37-T118 PolarHBondContact OG1-OG1 2.95Å; T37-Q119 PolarHBondContact O-N 3.41Å; T37-Q119 PolarHBondContact O-NE2 2.66Å; T37-H125 PolarHBondContact OG1-NE2 3.2Å; T37-L235 WeakPolarHBondContact CA-O 3.4Å; T37-L235 HydrophobicContact CG2-CB 4.21Å
38G98.6Very high96.7Very high2 Ų226.2 Ų26.22%0.02113%0.132CC..  trans-134.8-176.4174.200000111.9G40 I41 N120 L235 G236G38-G40 PolarHBondContact O-N 3.15Å; G38-I41 WeakPolarHBondContact O-CG2 3.36Å; G38-I41 PolarHBondContact O-N 3.27Å; G38-I41 VanDerWaalsContact O-N 3.15Å; G38-N120 VanDerWaalsContact CA-OD1 3.28Å; G38-N120 WeakPolarHBondContact CA-OD1 3.49Å; G38-N120 PolarHBondContact O-ND2 3Å; G38-N120 PolarHBondContact O-OD1 3.36Å; G38-L235 PolarHBondContact N-O 3.29Å; G38-L235 VanDerWaalsContact N-O 3.16Å; G38-G236 CarbonylContact C-O 3.57Å; G38-G236 WeakPolarHBondContact CA-O 3.4Å
39A97.7Very high96.8Very high15 Ų1525.5 Ų25.512%0.12412%0.124CC..G310 helixtrans-62.2-22.1-167.700000113.9I41 S42 D49 Y50 N120 P177 G236A39-I41 PolarHBondContact O-N 3.36Å; A39-S42 PolarHBondContact O-N 3.43Å; A39-D49 HydrophobicContact CB-CB 3.81Å; A39-Y50 HydrophobicContact CB-CD2 4.13Å; A39-Y50 HydrophobicContact CB-CE2 4.3Å; A39-N120 VanDerWaalsContact CA-OD1 3.25Å; A39-N120 WeakPolarHBondContact CA-OD1 3.25Å; A39-N120 PolarHBondContact N-OD1 2.54Å; A39-P177 HydrophobicContact CB-CB 4.49Å; A39-G236 PolarHBondContact N-O 2.99Å
40G97.9Very high96.7Very high11 Ų1121.6 Ų21.611%0.11311%0.107CC..G310 helixtrans-59.5-31.2177.400000113.5G38 S42 T43 G236G38-G40 PolarHBondContact O-N 3.15Å; G40-S42 PolarHBondContact O-N 2.93Å; G40-T43 PolarHBondContact O-N 2.93Å; G40-T43 PolarHBondContact O-OG1 3.2Å; G40-G236 WeakPolarHBondContact CA-O 3.33Å; G40-G236 PolarHBondContact N-O 2.84Å
41I98.1Very high96.7Very high0 Ų025.9 Ų25.90%012%0.122CC..G310 helixtrans-67-27.8176.4-162.4176.3000112.1T37 G38 A39 N98 T100 L104 L235 C280T37-I41 HydrophobicContact CG2-CD1 3.98Å; G38-I41 WeakPolarHBondContact O-CG2 3.36Å; G38-I41 PolarHBondContact O-N 3.27Å; G38-I41 VanDerWaalsContact O-N 3.15Å; A39-I41 PolarHBondContact O-N 3.36Å; I41-N98 PolarHBondContact O-ND2 3.06Å; I41-T100 HydrophobicContact CD1-CG2 3.45Å; I41-T100 VanDerWaalsContact CD1-CG2 3.45Å; I41-T100 HydrophobicContact CG1-CG2 3.77Å; I41-L104 HydrophobicContact CD1-CD1 3.97Å; I41-L235 HydrophobicContact CD1-CB 4.32Å; I41-L235 HydrophobicContact CD1-CD1 4.45Å; I41-C280 HydrophobicContact CG1-CB 4.47Å
42S98.1Very high96.7Very high1 Ų119.6 Ų19.61%0.00710%0.096CC..G310 helixtrans-88.3-7.9-176.6-55.30000112.7A39 G40 E44 S45 G46 I47 N120 D122A39-S42 PolarHBondContact O-N 3.43Å; G40-S42 PolarHBondContact O-N 2.93Å; S42-E44 VanDerWaalsContact C-N 3.26Å; S42-E44 PolarHBondContact O-N 3.36Å; S42-S45 CarbonylContact O-C 3.03Å; S42-S45 WeakPolarHBondContact O-CA 3.35Å; S42-S45 VanDerWaalsContact O-CB 3.31Å; S42-S45 WeakPolarHBondContact O-CB 3.37Å; S42-S45 PolarHBondContact O-N 2.94Å; S42-G46 PolarHBondContact O-N 2.83Å; S42-I47 CarbonylContact C-O 3.49Å; S42-I47 PolarHBondContact O-N 2.83Å; S42-I47 VanDerWaalsContact O-N 3.14Å; S42-N120 PolarHBondContact OG-ND2 3.4Å; S42-D122 WeakPolarHBondContact CB-OD2 3.28Å; S42-D122 PolarHBondContact OG-OD2 2.81Å
43T97.2Very high96.3Very high4 Ų419.9 Ų19.93%0.02510%0.103CC..G310 helixtrans-59.2-37.517561.80000112.5F8 G40 S45 G46 I47 D49F8-T43 WeakPolarHBondContact O-CG2 3.43Å; G40-T43 PolarHBondContact O-N 2.93Å; G40-T43 PolarHBondContact O-OG1 3.2Å; T43-S45 PolarHBondContact O-N 3.24Å; T43-G46 PolarHBondContact O-N 2.97Å; T43-I47 WeakPolarHBondContact CA-O 3.44Å; T43-I47 PolarHBondContact N-O 3.16Å; T43-D49 HydrophobicContact CG2-CB 3.91Å
44E96Very high95.9Very high29 Ų2927.6 Ų27.614%0.13614%0.137CC..G310 helixtrans-74.4-8.9175.8-55.5-174.287.800112.9V5 V9 S42 N98 K279 T281V5-E44 WeakPolarHBondContact CG1-O 3.39Å; V9-E44 HydrophobicContact CG2-CG 3.83Å; S42-E44 VanDerWaalsContact C-N 3.26Å; S42-E44 PolarHBondContact O-N 3.36Å; E44-N98 HydrophobicContact CB-CB 4.3Å; E44-K279 WeakPolarHBondContact OE1-CD 3.46Å; E44-T281 WeakPolarHBondContact OE1-CB 3.36Å; E44-T281 PolarHBondContact OE1-OG1 3.34Å; E44-T281 VanDerWaalsContact OE1-OG1 3.12Å; E44-T281 VanDerWaalsContact OE2-CB 3.28Å; E44-T281 WeakPolarHBondContact OE2-CB 3.23Å; E44-T281 PolarHBondContact OE2-N 3.02Å; E44-T281 PolarHBondContact OE2-OG1 2.68Å
45S96.5Very high95.5Very high13 Ų1329 Ų299%0.09115%0.145CC..G310 helixtrans-95.6-1.3169.1-59.10000112.9V5 S42 T43 V95 Q96 N98V5-S45 VanDerWaalsContact CG1-C 3.43Å; S42-S45 CarbonylContact O-C 3.03Å; S42-S45 WeakPolarHBondContact O-CA 3.35Å; S42-S45 VanDerWaalsContact O-CB 3.31Å; S42-S45 WeakPolarHBondContact O-CB 3.37Å; S42-S45 PolarHBondContact O-N 2.94Å; T43-S45 PolarHBondContact O-N 3.24Å; S45-V95 VanDerWaalsContact O-CG1 3.28Å; S45-V95 WeakPolarHBondContact O-CG1 3.31Å; S45-Q96 WeakPolarHBondContact CB-O 3.1Å; S45-Q96 PolarHBondContact OG-O 3.38Å; S45-Q96 VanDerWaalsContact OG-O 3.12Å; S45-N98 WeakPolarHBondContact OG-CB 3.44Å; S45-N98 PolarHBondContact OG-N 2.81Å; S45-N98 PolarHBondContact OG-ND2 3.2Å
46G94.1Very high95Very high23 Ų2329 Ų2924%0.23715%0.145CC..THydrogen-bonded Turntrans8616.8-177.200000114.9V5 F8 S42 T43V5-G46 VanDerWaalsContact O-CA 3.29Å; V5-G46 WeakPolarHBondContact O-CA 3.35Å; V5-G46 PolarHBondContact O-N 3.46Å; F8-G46 VanDerWaalsContact CD2-O 3.31Å; F8-G46 WeakPolarHBondContact CD2-O 3.49Å; F8-G46 VanDerWaalsContact CE2-O 3.24Å; F8-G46 WeakPolarHBondContact CE2-O 3.42Å; S42-G46 PolarHBondContact O-N 2.83Å; T43-G46 PolarHBondContact O-N 2.97Å
47I94.8Very high94.6Very high6 Ų629.5 Ų29.53%0.03115%0.147CC..  trans-101.6123.8167.7-62.2173.9000107.9S42 T43 F92 V95 D122 L124S42-I47 CarbonylContact C-O 3.49Å; S42-I47 PolarHBondContact O-N 2.83Å; S42-I47 VanDerWaalsContact O-N 3.14Å; T43-I47 WeakPolarHBondContact CA-O 3.44Å; T43-I47 PolarHBondContact N-O 3.16Å; I47-F92 HydrophobicContact CD1-CD2 4.41Å; I47-F92 HydrophobicContact CD1-CE2 4.06Å; I47-F92 HydrophobicContact CG2-CE2 4.35Å; I47-V95 HydrophobicContact CD1-CB 4.08Å; I47-V95 HydrophobicContact CD1-CG1 3.86Å; I47-V95 HydrophobicContact CD1-CG2 4.13Å; I47-V95 HydrophobicContact CG1-CB 4.31Å; I47-V95 HydrophobicContact CG1-CG1 3.95Å; I47-V95 HydrophobicContact CG1-CG2 3.93Å; I47-D122 HydrophobicContact CD1-CB 3.76Å; I47-L124 HydrophobicContact CD1-CD1 4.12Å
48P94.6Very high94.2Very high1 Ų133.8 Ų33.81%0.00616%0.164CC..  trans-62.5158.4178.128.9-35.2000111.6F8 R60 V175 P177F8-P48 HydrophobicContact CB-CB 4.19Å; F8-P48 HydrophobicContact CD1-CB 3.72Å; F8-P48 HydrophobicContact CD2-CB 4.09Å; F8-P48 HydrophobicContact CD2-CG 4.43Å; F8-P48 HydrophobicContact CE1-CB 4.08Å; F8-P48 HydrophobicContact CE1-CG 4.48Å; F8-P48 HydrophobicContact CE2-CB 4.41Å; F8-P48 HydrophobicContact CE2-CG 4.35Å; F8-P48 HydrophobicContact CG-CB 3.73Å; F8-P48 HydrophobicContact CZ-CB 4.4Å; F8-P48 HydrophobicContact CZ-CG 4.38Å; P48-R60 VanDerWaalsContact CG-NH2 3.33Å; P48-V175 VanDerWaalsContact CD-O 3.29Å; P48-V175 WeakPolarHBondContact CD-O 3.44Å; P48-V175 VanDerWaalsContact CG-O 3.22Å; P48-V175 WeakPolarHBondContact CG-O 3.34Å; P48-P177 HydrophobicContact CG-CG 4.18Å; P48-P177 WeakPolarHBondContact O-CB 3.2Å; P48-P177 WeakPolarHBondContact O-CG 3.5Å
49D95.5Very high93.7Very high16 Ų1636.6 Ų36.69%0.08619%0.187CC..  trans-91.7-173.7162.282.23.4000110.9A39 T43 R51 S52 G56 R57 P177A39-D49 HydrophobicContact CB-CB 3.81Å; T43-D49 HydrophobicContact CG2-CB 3.91Å; D49-R51 PolarHBondContact OD1-N 3.32Å; D49-S52 WeakPolarHBondContact OD1-CB 3Å; D49-S52 PolarHBondContact OD1-N 3.17Å; D49-S52 PolarHBondContact OD1-OG 3.41Å; D49-S52 VanDerWaalsContact OD2-CB 3.31Å; D49-S52 WeakPolarHBondContact OD2-CB 3.19Å; D49-S52 PolarHBondContact OD2-N 2.98Å; D49-S52 PolarHBondContact OD2-OG 3.1Å; D49-G56 CarbonylContact O-C 3.56Å; D49-G56 WeakPolarHBondContact O-CA 3.48Å; D49-G56 VanDerWaalsContact OD1-CA 3.29Å; D49-G56 WeakPolarHBondContact OD1-CA 3.28Å; D49-R57 PolarHBondContact O-N 2.66Å; D49-P177 WeakPolarHBondContact O-CG 3.41Å
50Y94Very high93Very high47 Ų4740 Ų4018%0.18420%0.197CC..SBendtrans-87.2-33.8178-67.7-86.7000114.1A39 R57 Y58 P65 P177 D178A39-Y50 HydrophobicContact CB-CD2 4.13Å; A39-Y50 HydrophobicContact CB-CE2 4.3Å; Y50-R57 HydrophobicContact CD1-CB 4.46Å; Y50-R57 PolarHBondContact O-N 2.73Å; Y50-Y58 HydrophobicContact CD1-CE1 4.14Å; Y50-Y58 HydrophobicContact CD1-CE2 4.42Å; Y50-Y58 AromaticContact CD1-CZ 3.87Å; Y50-Y58 WeakPolarHBondContact O-CB 3.31Å; Y50-Y58 VanDerWaalsContact O-CD2 3.27Å; Y50-Y58 WeakPolarHBondContact O-CD2 3.45Å; Y50-Y58 VanDerWaalsContact O-CG 3.3Å; Y50-Y58 PolarHBondContact O-N 3.4Å; Y50-P65 HydrophobicContact CE1-CG 4.3Å; Y50-P177 HydrophobicContact CD1-CG 4.05Å; Y50-P177 HydrophobicContact CD2-CB 4.06Å; Y50-P177 HydrophobicContact CD2-CG 4.03Å; Y50-P177 HydrophobicContact CE1-CB 4.21Å; Y50-P177 HydrophobicContact CE1-CG 3.94Å; Y50-P177 HydrophobicContact CE2-CB 3.54Å; Y50-P177 HydrophobicContact CE2-CG 3.92Å; Y50-P177 HydrophobicContact CG-CG 4.1Å; Y50-D178 WeakPolarHBondContact OH-CB 3.5Å
51R94.1Very high92.3Very high94 Ų9440.6 Ų40.636%0.35520%0.199SC..SBendtrans-128.6-7.1-156.2-68.6179.7-171.678.41.8114.9D49 E53 Y58 S238D49-R51 PolarHBondContact OD1-N 3.32Å; R51-E53 PolarHBondContact O-N 3.48Å; R51-Y58 HydrophobicContact CG-CD2 3.82Å; R51-Y58 HydrophobicContact CG-CE2 4.06Å; R51-S238 WeakPolarHBondContact CD-OG 3.38Å
52S93.4Very high91.4Very high13 Ų1348.3 Ų48.39%0.09124%0.24CC..SBendtrans-55.8133175.3-80.10000110.3P10 D49 K54 V55 G56P10-S52 VanDerWaalsContact CG-OG 3.31Å; P10-S52 WeakPolarHBondContact CG-OG 3.44Å; D49-S52 WeakPolarHBondContact OD1-CB 3Å; D49-S52 PolarHBondContact OD1-N 3.17Å; D49-S52 PolarHBondContact OD1-OG 3.41Å; D49-S52 VanDerWaalsContact OD2-CB 3.31Å; D49-S52 WeakPolarHBondContact OD2-CB 3.19Å; D49-S52 PolarHBondContact OD2-N 2.98Å; D49-S52 PolarHBondContact OD2-OG 3.1Å; S52-K54 PolarHBondContact O-N 3.3Å; S52-V55 PolarHBondContact O-N 3.24Å; S52-G56 WeakPolarHBondContact O-CA 3.25Å; S52-G56 PolarHBondContact O-N 3.34Å
53E89.5Confident90.5Very high142 Ų14249.8 Ų49.866%0.66425%0.247SC*.THydrogen-bonded Turntrans-57.4136.4-178.6-157.3-161.4138.900110.3R51 V55R51-E53 PolarHBondContact O-N 3.48Å; E53-V55 PolarHBondContact O-N 2.82Å
54K89.2Confident89.8Confident163 Ų16357.6 Ų57.671%0.70928%0.281SS*.THydrogen-bonded Turntrans65.1-28.2178.9-55.3171.1-177.2161.80116.4S52S52-K54 PolarHBondContact O-N 3.3Å
55V90.2Very high89.4Confident29 Ų2957 Ų5718%0.17628%0.279CS..THydrogen-bonded Turntrans-115.8-21.7-172-58.90000114.4F8 P10 S52 E53 R60F8-V55 WeakPolarHBondContact O-CG2 3.38Å; P10-V55 HydrophobicContact CB-CG2 3.94Å; S52-V55 PolarHBondContact O-N 3.24Å; E53-V55 PolarHBondContact O-N 2.82Å; V55-R60 PolarHBondContact O-NE 3.1Å
56G89Confident89.3Confident0 Ų057 Ų570%028%0.279CS..SBendtrans-68.516017700000112.9D49 S52 Y58 A59 R60D49-G56 CarbonylContact O-C 3.56Å; D49-G56 WeakPolarHBondContact O-CA 3.48Å; D49-G56 VanDerWaalsContact OD1-CA 3.29Å; D49-G56 WeakPolarHBondContact OD1-CA 3.28Å; S52-G56 WeakPolarHBondContact O-CA 3.25Å; S52-G56 PolarHBondContact O-N 3.34Å; G56-Y58 VanDerWaalsContact C-N 3.33Å; G56-Y58 PolarHBondContact O-N 3.29Å; G56-A59 PolarHBondContact O-N 3.36Å; G56-R60 PolarHBondContact O-N 2.82Å
57R90.2Very high89.4Confident10 Ų1059.7 Ų59.74%0.03829%0.285CS..Hα-helixtrans-54.7-43.8-176.2-177.8149.5178.477.3-5.9112.9D49 Y50 A59 R60 S61 H63 A176 P177 D180 D182D49-R57 PolarHBondContact O-N 2.66Å; Y50-R57 HydrophobicContact CD1-CB 4.46Å; Y50-R57 PolarHBondContact O-N 2.73Å; R57-A59 PolarHBondContact O-N 2.89Å; R57-R60 PolarHBondContact O-N 3.45Å; R57-S61 PolarHBondContact O-N 2.86Å; R57-H63 PolarHBondContact NH2-CD2 2.9Å; R57-A176 VanDerWaalsContact CD-CB 3.46Å; R57-P177 HydrophobicContact CB-CG 4.22Å; R57-P177 VanDerWaalsContact CD-CD 3.46Å; R57-D180 IonicContact CZ-OD2 3.59Å; R57-D180 IonicContact NH2-OD2 3.75Å; R57-D180 PolarHBondContact NH2-OD2 2.96Å; R57-D182 IonicContact NH1-OD2 3.95Å; R57-D182 IonicContact NH2-OD1 3.13Å
58Y90Very high89.6Confident91 Ų9161.1 Ų61.136%0.35729%0.291SS..Hα-helixtrans-71.7-14.9-178.4-58.8-31.2000114.2Y50 R51 G56Y50-Y58 HydrophobicContact CD1-CE1 4.14Å; Y50-Y58 HydrophobicContact CD1-CE2 4.42Å; Y50-Y58 AromaticContact CD1-CZ 3.87Å; Y50-Y58 WeakPolarHBondContact O-CB 3.31Å; Y50-Y58 VanDerWaalsContact O-CD2 3.27Å; Y50-Y58 WeakPolarHBondContact O-CD2 3.45Å; Y50-Y58 VanDerWaalsContact O-CG 3.3Å; Y50-Y58 PolarHBondContact O-N 3.4Å; R51-Y58 HydrophobicContact CG-CD2 3.82Å; R51-Y58 HydrophobicContact CG-CE2 4.06Å; G56-Y58 VanDerWaalsContact C-N 3.33Å; G56-Y58 PolarHBondContact O-N 3.29Å
59A87.1Confident89.8Confident61 Ų6166.7 Ų66.750%0.50432%0.317SS..Hα-helixtrans-85.4-16.2169.800000112.5G56 R57G56-A59 PolarHBondContact O-N 3.36Å; R57-A59 PolarHBondContact O-N 2.89Å
60R84.1Confident89.9Confident86 Ų8669.8 Ų69.833%0.32533%0.331SS..Hα-helixtrans-112.4-20.8-172.9-62.7-168.5-65.2129.41.5114.2F8 P48 V55 G56 R57 D174F8-R60 VanDerWaalsContact CE1-CZ 3.45Å; P48-R60 VanDerWaalsContact CG-NH2 3.33Å; V55-R60 PolarHBondContact O-NE 3.1Å; G56-R60 PolarHBondContact O-N 2.82Å; R57-R60 PolarHBondContact O-N 3.45Å; R60-D174 VanDerWaalsContact NH1-CB 3.29Å; R60-D174 IonicContact NH1-OD2 3.2Å; R60-D174 PolarHBondContact NH1-OD2 2.88Å
61S82.8Confident90.1Very high23 Ų2367.5 Ų67.516%0.16132%0.322CS..  trans-150.1144-177.7-175.40000111R57 H63 D182R57-S61 PolarHBondContact O-N 2.86Å; S61-H63 WeakPolarHBondContact OG-CB 3.27Å; S61-H63 PolarHBondContact OG-N 2.81Å; S61-D182 PolarHBondContact OG-OD2 3.13Å
62N79.2Confident90.3Very high162 Ų16265 Ų6587%0.86632%0.315SS*.  trans-84.1-0.4171.3-70.5-30.2000112.4K64N62-K64 PolarHBondContact O-N 3.39Å
63H80.2Confident90.5Very high33 Ų3370 Ų7015%0.15334%0.341CS..PPolyproline II helixtrans-67.9126179.7-166.374.1000110.7R57 S61 R84 D180R57-H63 PolarHBondContact NH2-CD2 2.9Å; S61-H63 WeakPolarHBondContact OG-CB 3.27Å; S61-H63 PolarHBondContact OG-N 2.81Å; H63-R84 PolarHBondContact CE1-NH1 2.86Å; H63-R84 VanDerWaalsContact CE1-NH1 3.27Å; H63-R84 PolarHBondContact ND1-NH1 3.02Å; H63-R84 PolarHBondContact NE2-NH1 2.92Å; H63-D180 IonicContact CD2-OD2 3.29Å; H63-D180 PolarHBondContact CD2-OD2 3.41Å; H63-D180 VanDerWaalsContact CD2-OD2 3.24Å; H63-D180 IonicContact NE2-OD2 2.88Å
64K80.6Confident91Very high167 Ų16768 Ų6873%0.72633%0.331SS*.PPolyproline II helixtrans-90.3148.1175.1-65.1-178.4-178.4177.80109.6N62N62-K64 PolarHBondContact O-N 3.39Å
65P88.5Confident91.3Very high16 Ų1664.1 Ų64.110%0.10432%0.316CS..PPolyproline II helixtrans-52.8151.7168.6-26.836.8000112Y50 F210Y50-P65 HydrophobicContact CE1-CG 4.3Å; P65-F210 HydrophobicContact CB-CD2 3.39Å; P65-F210 HydrophobicContact CB-CE2 3.26Å; P65-F210 HydrophobicContact CB-CG 4.44Å; P65-F210 HydrophobicContact CB-CZ 4.25Å; P65-F210 HydrophobicContact CG-CD2 4.09Å; P65-F210 HydrophobicContact CG-CE2 3.48Å; P65-F210 VanDerWaalsContact CG-CE2 3.48Å; P65-F210 HydrophobicContact CG-CZ 4.04Å
66V94.2Very high91.7Very high15 Ų1566.9 Ų66.99%0.09133%0.334CS..PPolyproline II helixtrans-67.3136.8-179.463.70000111.7F71 V77 Y81 F209 F210V66-F71 HydrophobicContact CG2-CB 3.96Å; V66-F71 HydrophobicContact CG2-CD2 4.26Å; V66-V77 HydrophobicContact CG2-CG1 3.75Å; V66-Y81 HydrophobicContact CB-CD2 4.31Å; V66-Y81 HydrophobicContact CG1-CD2 3.79Å; V66-Y81 HydrophobicContact CG1-CE2 3.9Å; V66-F209 HydrophobicContact CG1-CB 4.4Å; V66-F209 HydrophobicContact CG1-CD1 3.72Å; V66-F209 HydrophobicContact CG1-CD2 3.63Å; V66-F209 HydrophobicContact CG1-CE1 3.78Å; V66-F209 HydrophobicContact CG1-CE2 3.7Å; V66-F209 HydrophobicContact CG1-CG 3.66Å; V66-F209 HydrophobicContact CG1-CZ 3.77Å; V66-F209 HydrophobicContact CG2-CD2 4.5Å; V66-F210 PolarHBondContact O-N 2.83Å
67E97Very high92Very high78 Ų7867.4 Ų67.436%0.36434%0.337SS..BIsolated β-bridgetrans-87139.3172-66.6-67.2157.200110.4Q69 E70 F71 F210E67-Q69 PolarHBondContact O-N 3.47Å; E67-E70 HydrophobicContact CB-CB 4.3Å; E67-E70 HydrophobicContact CB-CG 4Å; E67-E70 PolarHBondContact O-N 2.89Å; E67-F71 PolarHBondContact O-N 3.19Å; E67-F210 VanDerWaalsContact CD-CB 3.42Å; E67-F210 VanDerWaalsContact OE1-CB 3.28Å; E67-F210 WeakPolarHBondContact OE1-CB 3.35Å; E67-F210 VanDerWaalsContact OE2-CB 3.28Å; E67-F210 WeakPolarHBondContact OE2-CB 3.16Å; E67-F210 VanDerWaalsContact OE2-O 3.1Å
68F98.3Very high92.4Very high37 Ų3768.3 Ų68.316%0.16234%0.341CS..Hα-helixtrans-59-45.1-175.7178.5-105.3000112.6F71 M72 M146 K204 F209 F210 E212F68-F71 PolarHBondContact O-N 3.5Å; F68-M72 HydrophobicContact CD1-CG 4.34Å; F68-M72 HydrophobicContact CD2-CG 4.19Å; F68-M72 HydrophobicContact CE1-CG 3.95Å; F68-M72 HydrophobicContact CE2-CG 3.79Å; F68-M72 HydrophobicContact CE2-SD 4.15Å; F68-M72 HydrophobicContact CG-CG 4.46Å; F68-M72 HydrophobicContact CZ-CG 3.66Å; F68-M72 HydrophobicContact CZ-SD 4.3Å; F68-M72 VanDerWaalsContact O-CG 3.29Å; F68-M72 WeakPolarHBondContact O-CG 3.48Å; F68-M72 PolarHBondContact O-N 3.44Å; F68-M146 HydrophobicContact CE2-CE 4.27Å; F68-M146 HydrophobicContact CZ-CE 4.46Å; F68-K204 HydrophobicContact CD2-CD 4.35Å; F68-K204 HydrophobicContact CE2-CD 4.26Å; F68-F209 HydrophobicContact CB-CB 4.07Å; F68-F210 WeakPolarHBondContact CB-O 3.42Å; F68-F210 PolarHBondContact N-O 2.62Å; F68-E212 HydrophobicContact CB-CB 3.8Å; F68-E212 HydrophobicContact CD1-CB 4.47Å; F68-E212 HydrophobicContact CD1-CG 4.48Å; F68-E212 HydrophobicContact CD2-CB 3.8Å; F68-E212 HydrophobicContact CD2-CG 3.58Å; F68-E212 WeakPolarHBondContact CD2-OE2 3.34Å; F68-E212 HydrophobicContact CE2-CG 3.83Å; F68-E212 WeakPolarHBondContact CE2-OE1 3.16Å; F68-E212 HydrophobicContact CG-CB 3.76Å; F68-E212 HydrophobicContact CG-CG 3.94Å; F68-E212 HydrophobicContact CZ-CG 4.38Å
69Q98.2Very high92.8Very high117 Ų11767.1 Ų67.155%0.54734%0.336SS..Hα-helixtrans-65.9-40.6-178.8-65.7-60.6-29.400111.6E67 M72 N73E67-Q69 PolarHBondContact O-N 3.47Å; Q69-M72 PolarHBondContact O-N 2.83Å; Q69-N73 VanDerWaalsContact O-CB 3.28Å; Q69-N73 WeakPolarHBondContact O-CB 3.48Å; Q69-N73 VanDerWaalsContact O-CG 3.29Å; Q69-N73 PolarHBondContact O-N 3.48Å; Q69-N73 PolarHBondContact O-ND2 3.43Å; Q69-N73 PolarHBondContact OE1-ND2 3.15Å
70E98Very high93.2Very high81 Ų8167.6 Ų67.638%0.37932%0.324SS..Hα-helixtrans-61.9-46.9175-65-179.5176.800110.5E67 M72 N73 E74 V77E67-E70 HydrophobicContact CB-CB 4.3Å; E67-E70 HydrophobicContact CB-CG 4Å; E67-E70 PolarHBondContact O-N 2.89Å; E70-M72 VanDerWaalsContact C-N 3.32Å; E70-M72 PolarHBondContact O-N 3.37Å; E70-N73 PolarHBondContact O-N 2.8Å; E70-E74 WeakPolarHBondContact O-CA 2.93Å; E70-E74 VanDerWaalsContact O-CB 3.31Å; E70-E74 WeakPolarHBondContact O-CB 3.41Å; E70-E74 PolarHBondContact O-N 3.37Å; E70-V77 HydrophobicContact CB-CG1 4.15Å; E70-V77 HydrophobicContact CB-CG2 4.31Å
71F98.4Very high93.8Very high0 Ų064.7 Ų64.70%031%0.314CS..Hα-helixtrans-60.3-41.1177.3-172.9-90.1000112.5V66 E67 F68 R78 Y81 W82 I202 T203 K204 F209V66-F71 HydrophobicContact CG2-CB 3.96Å; V66-F71 HydrophobicContact CG2-CD2 4.26Å; E67-F71 PolarHBondContact O-N 3.19Å; F68-F71 PolarHBondContact O-N 3.5Å; F71-R78 HydrophobicContact CD1-CG 4.1Å; F71-R78 HydrophobicContact CD2-CB 4.48Å; F71-R78 HydrophobicContact CD2-CG 3.89Å; F71-R78 HydrophobicContact CE1-CG 4.05Å; F71-R78 HydrophobicContact CE2-CB 4.16Å; F71-R78 HydrophobicContact CE2-CG 3.85Å; F71-R78 HydrophobicContact CG-CG 4.02Å; F71-R78 HydrophobicContact CZ-CB 4.43Å; F71-R78 HydrophobicContact CZ-CG 3.93Å; F71-R78 WeakPolarHBondContact O-CD 3.35Å; F71-R78 WeakPolarHBondContact O-CG 3.28Å; F71-R78 PolarHBondContact O-NH1 3.46Å; F71-Y81 HydrophobicContact CD2-CD1 4.44Å; F71-Y81 HydrophobicContact CD2-CG 4.17Å; F71-Y81 AromaticContact CE2-CD1 3.61Å; F71-Y81 HydrophobicContact CE2-CD1 3.61Å; F71-Y81 HydrophobicContact CE2-CE1 4.4Å; F71-Y81 AromaticContact CE2-CG 3.75Å; F71-Y81 HydrophobicContact CE2-CG 3.75Å; F71-Y81 HydrophobicContact CZ-CD1 4.36Å; F71-W82 AromaticContact CZ-NE1 3.78Å; F71-I202 HydrophobicContact CD1-CG2 4.48Å; F71-I202 HydrophobicContact CE1-CG2 3.81Å; F71-T203 WeakPolarHBondContact CZ-O 3.41Å; F71-K204 HydrophobicContact CD1-CD 4.12Å; F71-K204 HydrophobicContact CD1-CG 4.13Å; F71-K204 HydrophobicContact CE1-CB 3.8Å; F71-K204 HydrophobicContact CE1-CD 4.12Å; F71-K204 HydrophobicContact CE1-CG 3.65Å; F71-K204 HydrophobicContact CZ-CB 4.31Å; F71-K204 HydrophobicContact CZ-CG 4.1Å; F71-F209 HydrophobicContact CB-CD2 4.02Å; F71-F209 HydrophobicContact CB-CE2 4.01Å; F71-F209 HydrophobicContact CD1-CD2 4.47Å; F71-F209 AromaticContact CD1-CE2 3.92Å; F71-F209 HydrophobicContact CD1-CE2 3.92Å; F71-F209 HydrophobicContact CD2-CD2 4.45Å; F71-F209 AromaticContact CD2-CE2 3.62Å; F71-F209 HydrophobicContact CD2-CE2 3.62Å; F71-F209 HydrophobicContact CD2-CZ 4.42Å; F71-F209 HydrophobicContact CE1-CE2 4.28Å; F71-F209 AromaticContact CE2-CE2 3.99Å; F71-F209 HydrophobicContact CE2-CE2 3.99Å; F71-F209 HydrophobicContact CE2-CZ 4.46Å; F71-F209 HydrophobicContact CG-CD2 4.08Å; F71-F209 AromaticContact CG-CE2 3.57Å; F71-F209 HydrophobicContact CG-CE2 3.57Å; F71-F209 HydrophobicContact CZ-CE2 4.3Å
72M98.4Very high94.6Very high42 Ų4263.6 Ų63.621%0.20731%0.306CS..Hα-helixtrans-73.8-32.2-178.7-68-52.3-61.400112.8F68 Q69 E70 R78 M146 I202F68-M72 HydrophobicContact CD1-CG 4.34Å; F68-M72 HydrophobicContact CD2-CG 4.19Å; F68-M72 HydrophobicContact CE1-CG 3.95Å; F68-M72 HydrophobicContact CE2-CG 3.79Å; F68-M72 HydrophobicContact CE2-SD 4.15Å; F68-M72 HydrophobicContact CG-CG 4.46Å; F68-M72 HydrophobicContact CZ-CG 3.66Å; F68-M72 HydrophobicContact CZ-SD 4.3Å; F68-M72 VanDerWaalsContact O-CG 3.29Å; F68-M72 WeakPolarHBondContact O-CG 3.48Å; F68-M72 PolarHBondContact O-N 3.44Å; Q69-M72 PolarHBondContact O-N 2.83Å; E70-M72 VanDerWaalsContact C-N 3.32Å; E70-M72 PolarHBondContact O-N 3.37Å; M72-R78 VanDerWaalsContact C-NH1 3.35Å; M72-R78 PolarHBondContact O-NH1 3.24Å; M72-M146 HydrophobicContact CE-CB 3.87Å; M72-M146 HydrophobicContact CE-CG 4.04Å; M72-M146 HydrophobicContact SD-CG 4.07Å; M72-I202 HydrophobicContact CE-CD1 3.98Å; M72-I202 HydrophobicContact CE-CG2 4.44Å; M72-I202 WeakPolarHBondContact O-CD1 3.41Å; M72-I202 HydrophobicContact SD-CG2 4.28Å
73N98.2Very high95.4Very high116 Ų11655.9 Ų55.962%0.6227%0.265SS*.Hα-helixtrans-101.4-23.1-171.5-61.5-44.5000113.8Q69 E70Q69-N73 VanDerWaalsContact O-CB 3.28Å; Q69-N73 WeakPolarHBondContact O-CB 3.48Å; Q69-N73 VanDerWaalsContact O-CG 3.29Å; Q69-N73 PolarHBondContact O-N 3.48Å; Q69-N73 PolarHBondContact O-ND2 3.43Å; Q69-N73 PolarHBondContact OE1-ND2 3.15Å; E70-N73 PolarHBondContact O-N 2.8Å
74E98.2Very high96.2Very high101 Ų10155.1 Ų55.147%0.47226%0.261SS..  trans-116.2113.2-172.3-58.2-172.1-171.900112.5E70 V77 R78E70-E74 WeakPolarHBondContact O-CA 2.93Å; E70-E74 VanDerWaalsContact O-CB 3.31Å; E70-E74 WeakPolarHBondContact O-CB 3.41Å; E70-E74 PolarHBondContact O-N 3.37Å; E74-V77 HydrophobicContact CB-CB 4.02Å; E74-V77 HydrophobicContact CB-CG2 3.72Å; E74-V77 PolarHBondContact O-N 3.28Å; E74-V77 WeakPolarHBondContact OE2-CG2 3.43Å; E74-R78 PolarHBondContact O-N 3.17Å
75E97.3Very high97Very high81 Ų8147.8 Ų47.838%0.37923%0.23SC..Hα-helixtrans-61.4-39.9178.1-164.7-103.1139.700113.7V77 R78 R79E75-V77 VanDerWaalsContact C-N 3.28Å; E75-V77 PolarHBondContact O-N 3Å; E75-R78 PolarHBondContact O-N 2.7Å; E75-R79 WeakPolarHBondContact O-CB 3.27Å; E75-R79 PolarHBondContact O-N 2.84Å; E75-R79 IonicContact OE1-CZ 2.73Å; E75-R79 IonicContact OE1-NE 3.34Å; E75-R79 PolarHBondContact OE1-NE 3.35Å; E75-R79 VanDerWaalsContact OE1-NE 3.11Å; E75-R79 IonicContact OE1-NH2 3.89Å; E75-R79 PolarHBondContact OE1-NH2 3.37Å; E75-R79 IonicContact OE2-CZ 3.14Å; E75-R79 IonicContact OE2-NH2 2.7Å; E75-R79 PolarHBondContact OE2-NH2 3.28Å
76P97.2Very high97.4Very high87 Ų8748.7 Ų48.757%0.56523%0.232SC*.Hα-helixtrans-59.4-36.5173.3-25.836.1000113.5R79 R80P76-R79 PolarHBondContact O-N 2.86Å; P76-R80 WeakPolarHBondContact O-CB 3.38Å; P76-R80 PolarHBondContact O-N 2.99Å
77V97Very high97.5Very high11 Ų1149.3 Ų49.37%0.06724%0.236CC..Hα-helixtrans-66.9-43.11781750000110.8V66 E70 E74 E75 Y81V66-V77 HydrophobicContact CG2-CG1 3.75Å; E70-V77 HydrophobicContact CB-CG1 4.15Å; E70-V77 HydrophobicContact CB-CG2 4.31Å; E74-V77 HydrophobicContact CB-CB 4.02Å; E74-V77 HydrophobicContact CB-CG2 3.72Å; E74-V77 PolarHBondContact O-N 3.28Å; E74-V77 WeakPolarHBondContact OE2-CG2 3.43Å; E75-V77 VanDerWaalsContact C-N 3.28Å; E75-V77 PolarHBondContact O-N 3Å; V77-Y81 WeakPolarHBondContact O-CB 3.19Å; V77-Y81 PolarHBondContact O-N 3.36Å
78R98Very high97.5Very high30 Ų3045.6 Ų45.611%0.11322%0.218CC..Hα-helixtrans-62.5-44.3174.3-66.6-170.9-71-83.64.8112.1F71 M72 E74 E75 Y81 W82 T193F71-R78 HydrophobicContact CD1-CG 4.1Å; F71-R78 HydrophobicContact CD2-CB 4.48Å; F71-R78 HydrophobicContact CD2-CG 3.89Å; F71-R78 HydrophobicContact CE1-CG 4.05Å; F71-R78 HydrophobicContact CE2-CB 4.16Å; F71-R78 HydrophobicContact CE2-CG 3.85Å; F71-R78 HydrophobicContact CG-CG 4.02Å; F71-R78 HydrophobicContact CZ-CB 4.43Å; F71-R78 HydrophobicContact CZ-CG 3.93Å; F71-R78 WeakPolarHBondContact O-CD 3.35Å; F71-R78 WeakPolarHBondContact O-CG 3.28Å; F71-R78 PolarHBondContact O-NH1 3.46Å; M72-R78 VanDerWaalsContact C-NH1 3.35Å; M72-R78 PolarHBondContact O-NH1 3.24Å; E74-R78 PolarHBondContact O-N 3.17Å; E75-R78 PolarHBondContact O-N 2.7Å; R78-Y81 PolarHBondContact O-N 2.93Å; R78-W82 VanDerWaalsContact O-CD1 3.3Å; R78-W82 PolarHBondContact O-N 3.34Å; R78-T193 HydrophobicContact CB-CG2 3.98Å
79R98Very high97.4Very high65 Ų6544.3 Ų44.325%0.24521%0.212CC..Hα-helixtrans-59.6-51.3179.8-166.6-175-58.6176.44.4110.8E75 P76 W82 A83 E188 A189 F191 T193E75-R79 WeakPolarHBondContact O-CB 3.27Å; E75-R79 PolarHBondContact O-N 2.84Å; E75-R79 IonicContact OE1-CZ 2.73Å; E75-R79 IonicContact OE1-NE 3.34Å; E75-R79 PolarHBondContact OE1-NE 3.35Å; E75-R79 VanDerWaalsContact OE1-NE 3.11Å; E75-R79 IonicContact OE1-NH2 3.89Å; E75-R79 PolarHBondContact OE1-NH2 3.37Å; E75-R79 IonicContact OE2-CZ 3.14Å; E75-R79 IonicContact OE2-NH2 2.7Å; E75-R79 PolarHBondContact OE2-NH2 3.28Å; P76-R79 PolarHBondContact O-N 2.86Å; R79-W82 PolarHBondContact O-N 3.32Å; R79-A83 WeakPolarHBondContact O-CB 3.38Å; R79-A83 PolarHBondContact O-N 2.89Å; R79-E188 WeakPolarHBondContact CD-O 3.27Å; R79-E188 WeakPolarHBondContact CG-O 3.45Å; R79-A189 WeakPolarHBondContact CD-O 3.32Å; R79-A189 PolarHBondContact NH1-O 3.18Å; R79-F191 WeakPolarHBondContact CD-O 3.3Å; R79-F191 HydrophobicContact CG-CB 4.18Å; R79-F191 HydrophobicContact CG-CD1 4.45Å; R79-F191 WeakPolarHBondContact CG-O 3.41Å; R79-T193 VanDerWaalsContact CA-OG1 3.29Å; R79-T193 WeakPolarHBondContact CA-OG1 3.41Å; R79-T193 WeakPolarHBondContact CB-OG1 3.42Å
80R96Very high97.3Very high71 Ų7142.2 Ų42.227%0.26821%0.209SC..Hα-helixtrans-55.4-53174.1174.9177.672.3172.51.9111.6P76 W82 A83 R84 E188P76-R80 WeakPolarHBondContact O-CB 3.38Å; P76-R80 PolarHBondContact O-N 2.99Å; R80-W82 VanDerWaalsContact C-N 3.34Å; R80-W82 PolarHBondContact O-N 3.32Å; R80-A83 PolarHBondContact O-N 3.38Å; R80-R84 HydrophobicContact CG-CG 4.44Å; R80-R84 VanDerWaalsContact O-CG 3.26Å; R80-R84 WeakPolarHBondContact O-CG 3.24Å; R80-R84 PolarHBondContact O-N 3.42Å; R80-E188 WeakPolarHBondContact CD-OE2 3.49Å; R80-E188 HydrophobicContact CG-CG 4.29Å; R80-E188 VanDerWaalsContact CG-OE2 3.3Å; R80-E188 WeakPolarHBondContact CG-OE2 3.48Å
81Y97Very high97.1Very high25 Ų2542.3 Ų42.310%0.09822%0.215CC..Hα-helixtrans-54.9-50.2-178.9177.3-88.8000111.8V66 F71 V77 R78 R84 S85 P205 F209V66-Y81 HydrophobicContact CB-CD2 4.31Å; V66-Y81 HydrophobicContact CG1-CD2 3.79Å; V66-Y81 HydrophobicContact CG1-CE2 3.9Å; F71-Y81 HydrophobicContact CD2-CD1 4.44Å; F71-Y81 HydrophobicContact CD2-CG 4.17Å; F71-Y81 AromaticContact CE2-CD1 3.61Å; F71-Y81 HydrophobicContact CE2-CD1 3.61Å; F71-Y81 HydrophobicContact CE2-CE1 4.4Å; F71-Y81 AromaticContact CE2-CG 3.75Å; F71-Y81 HydrophobicContact CE2-CG 3.75Å; F71-Y81 HydrophobicContact CZ-CD1 4.36Å; V77-Y81 WeakPolarHBondContact O-CB 3.19Å; V77-Y81 PolarHBondContact O-N 3.36Å; R78-Y81 PolarHBondContact O-N 2.93Å; Y81-R84 PolarHBondContact O-N 2.76Å; Y81-S85 VanDerWaalsContact O-CB 3.27Å; Y81-S85 WeakPolarHBondContact O-CB 3.24Å; Y81-S85 PolarHBondContact O-N 3.18Å; Y81-P205 HydrophobicContact CE1-CG 3.55Å; Y81-P205 WeakPolarHBondContact OH-CG 3.24Å; Y81-F209 HydrophobicContact CD2-CZ 4.2Å; Y81-F209 HydrophobicContact CE1-CZ 4.05Å; Y81-F209 AromaticContact CE2-CE1 3.92Å; Y81-F209 HydrophobicContact CE2-CE1 3.92Å; Y81-F209 AromaticContact CE2-CZ 3.64Å; Y81-F209 HydrophobicContact CE2-CZ 3.64Å; Y81-F209 AromaticContact CZ-CE1 3.94Å; Y81-F209 AromaticContact CZ-CZ 3.57Å
82W97.9Very high97Very high0 Ų042.4 Ų42.40%022%0.216CC..Hα-helixtrans-70.2-36.1-178.1-79.9114.5000113F71 R78 R79 R80 Y86 V143 F157 I161 F191 P194 T203F71-W82 AromaticContact CZ-NE1 3.78Å; R78-W82 VanDerWaalsContact O-CD1 3.3Å; R78-W82 PolarHBondContact O-N 3.34Å; R79-W82 PolarHBondContact O-N 3.32Å; R80-W82 VanDerWaalsContact C-N 3.34Å; R80-W82 PolarHBondContact O-N 3.32Å; W82-Y86 WeakPolarHBondContact O-CB 3.35Å; W82-Y86 PolarHBondContact O-N 3.31Å; W82-V143 HydrophobicContact CH2-CB 4.47Å; W82-V143 HydrophobicContact CH2-CG1 3.76Å; W82-V143 HydrophobicContact CH2-CG2 3.83Å; W82-V143 HydrophobicContact CZ2-CG1 4.05Å; W82-F157 HydrophobicContact CH2-CD1 4.02Å; W82-F157 AromaticContact CH2-CE1 3.76Å; W82-F157 HydrophobicContact CH2-CE1 3.76Å; W82-F157 HydrophobicContact CZ2-CE1 4.13Å; W82-F157 HydrophobicContact CZ3-CD1 4.17Å; W82-F157 HydrophobicContact CZ3-CE1 4.11Å; W82-I161 HydrophobicContact CE3-CD1 3.63Å; W82-I161 HydrophobicContact CZ3-CD1 3.72Å; W82-F191 HydrophobicContact CB-CD1 4.44Å; W82-F191 HydrophobicContact CB-CE1 3.68Å; W82-F191 HydrophobicContact CB-CZ 4.42Å; W82-P194 HydrophobicContact CB-CG 4.17Å; W82-P194 HydrophobicContact CD2-CG 3.55Å; W82-P194 HydrophobicContact CE3-CG 4.01Å; W82-P194 HydrophobicContact CG-CG 3.64Å; W82-P194 HydrophobicContact CZ2-CG 4.41Å; W82-T203 WeakPolarHBondContact CZ2-OG1 3.14Å; W82-T203 PolarHBondContact NE1-O 2.95Å
83A97.6Very high96.9Very high0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-59.7-47.8175.100000111.3R79 R80 Y86 V87 W168 L183 F191R79-A83 WeakPolarHBondContact O-CB 3.38Å; R79-A83 PolarHBondContact O-N 2.89Å; R80-A83 PolarHBondContact O-N 3.38Å; A83-Y86 PolarHBondContact O-N 2.75Å; A83-V87 PolarHBondContact O-N 3.4Å; A83-W168 HydrophobicContact CB-CH2 4.35Å; A83-W168 HydrophobicContact CB-CZ2 4.13Å; A83-L183 HydrophobicContact CB-CD1 4.31Å; A83-F191 HydrophobicContact CB-CB 3.7Å; A83-F191 HydrophobicContact CB-CD1 3.84Å; A83-F191 HydrophobicContact CB-CD2 3.84Å; A83-F191 HydrophobicContact CB-CE1 4.38Å; A83-F191 HydrophobicContact CB-CE2 4.37Å; A83-F191 HydrophobicContact CB-CG 3.52Å
84R96.2Very high96.8Very high18 Ų1839.1 Ų39.17%0.06821%0.206CC..Hα-helixtrans-67.4-49.4179.1-63.1-179.7174.9-142.3-12.7111.7H63 R80 Y81 Y86 V87 A88 D180 I181 D182 L183 E188H63-R84 PolarHBondContact CE1-NH1 2.86Å; H63-R84 VanDerWaalsContact CE1-NH1 3.27Å; H63-R84 PolarHBondContact ND1-NH1 3.02Å; H63-R84 PolarHBondContact NE2-NH1 2.92Å; R80-R84 HydrophobicContact CG-CG 4.44Å; R80-R84 VanDerWaalsContact O-CG 3.26Å; R80-R84 WeakPolarHBondContact O-CG 3.24Å; R80-R84 PolarHBondContact O-N 3.42Å; Y81-R84 PolarHBondContact O-N 2.76Å; R84-Y86 VanDerWaalsContact C-N 3.26Å; R84-Y86 PolarHBondContact O-N 3.28Å; R84-V87 PolarHBondContact O-N 3.35Å; R84-A88 WeakPolarHBondContact O-CB 3.36Å; R84-A88 PolarHBondContact O-N 3.34Å; R84-D180 WeakPolarHBondContact CB-OD1 3.44Å; R84-D180 WeakPolarHBondContact CD-OD1 3.31Å; R84-D180 IonicContact NH1-OD2 2.82Å; R84-I181 HydrophobicContact CB-CG2 4.18Å; R84-I181 VanDerWaalsContact CB-O 3.26Å; R84-I181 WeakPolarHBondContact CB-O 3.15Å; R84-I181 WeakPolarHBondContact CD-O 3.38Å; R84-I181 WeakPolarHBondContact CG-O 3.42Å; R84-I181 VanDerWaalsContact O-CG2 3.25Å; R84-I181 WeakPolarHBondContact O-CG2 3.46Å; R84-D182 IonicContact CZ-OD1 2.66Å; R84-D182 IonicContact NH1-OD1 3.02Å; R84-D182 PolarHBondContact NH1-OD1 3.01Å; R84-D182 IonicContact NH2-OD1 3.97Å; R84-L183 HydrophobicContact CB-CD1 4.49Å; R84-L183 HydrophobicContact CG-CB 4.45Å; R84-L183 HydrophobicContact CG-CD1 4.03Å; R84-L183 HydrophobicContact CG-CG 4.13Å; R84-E188 IonicContact CZ-OE1 3.31Å; R84-E188 IonicContact NE-OE1 2.74Å; R84-E188 PolarHBondContact NE-OE1 3.05Å; R84-E188 IonicContact NH2-OE1 3.06Å; R84-E188 PolarHBondContact NH2-OE1 3.05Å
85S96.7Very high96.8Very high12 Ų1235.3 Ų35.38%0.08419%0.189CC..Hα-helixtrans-57-40.2175.4178.80000112Y81 V87 A88 W89 R154Y81-S85 VanDerWaalsContact O-CB 3.27Å; Y81-S85 WeakPolarHBondContact O-CB 3.24Å; Y81-S85 PolarHBondContact O-N 3.18Å; S85-V87 PolarHBondContact O-N 2.84Å; S85-A88 PolarHBondContact O-N 2.92Å; S85-W89 WeakPolarHBondContact O-CB 3.3Å; S85-W89 PolarHBondContact O-N 3.38Å; S85-R154 PolarHBondContact OG-NH2 2.79Å
86Y97.4Very high96.8Very high35 Ų3537.4 Ų37.414%0.13720%0.199CC..Hα-helixtrans-60.5-45.3178.4171.4-99.5000112.3W82 A83 R84 Q158 I161 Q162 W168 F191W82-Y86 WeakPolarHBondContact O-CB 3.35Å; W82-Y86 PolarHBondContact O-N 3.31Å; A83-Y86 PolarHBondContact O-N 2.75Å; R84-Y86 VanDerWaalsContact C-N 3.26Å; R84-Y86 PolarHBondContact O-N 3.28Å; Y86-Q158 VanDerWaalsContact CD2-CD 3.46Å; Y86-Q158 PolarHBondContact O-NE2 2.97Å; Y86-I161 HydrophobicContact CD2-CB 3.93Å; Y86-I161 HydrophobicContact CD2-CG2 3.31Å; Y86-I161 HydrophobicContact CE2-CB 4.31Å; Y86-I161 HydrophobicContact CE2-CG2 3.89Å; Y86-I161 HydrophobicContact CG-CG2 3.91Å; Y86-Q162 HydrophobicContact CE2-CB 4.11Å; Y86-W168 HydrophobicContact CD1-CE3 4.13Å; Y86-W168 AromaticContact CD1-CZ3 3.66Å; Y86-W168 HydrophobicContact CD1-CZ3 3.66Å; Y86-W168 HydrophobicContact CE1-CE3 4.02Å; Y86-W168 AromaticContact CE1-CZ3 3.91Å; Y86-W168 HydrophobicContact CE1-CZ3 3.91Å; Y86-F191 AromaticContact CD1-CE2 3.9Å; Y86-F191 HydrophobicContact CD1-CE2 3.9Å; Y86-F191 AromaticContact CG-CE2 3.94Å; Y86-F191 HydrophobicContact CG-CE2 3.94Å; Y86-F191 HydrophobicContact CG-CZ 4.14Å
87V96.9Very high96.8Very high29 Ų2933.9 Ų33.918%0.17618%0.176CC..Hα-helixtrans-70.4-39178.2174.80000111.7A83 R84 S85 W168 A170 I181 L183A83-V87 PolarHBondContact O-N 3.4Å; R84-V87 PolarHBondContact O-N 3.35Å; S85-V87 PolarHBondContact O-N 2.84Å; V87-W168 HydrophobicContact CG2-CH2 3.52Å; V87-W168 HydrophobicContact CG2-CZ3 3.53Å; V87-A170 HydrophobicContact CG2-CB 4.4Å; V87-I181 HydrophobicContact CB-CG2 3.97Å; V87-I181 HydrophobicContact CG1-CD1 4.25Å; V87-I181 HydrophobicContact CG1-CG2 4.06Å; V87-L183 HydrophobicContact CB-CD1 4.48Å; V87-L183 HydrophobicContact CG1-CD2 4.37Å; V87-L183 HydrophobicContact CG2-CD1 3.97Å; V87-L183 HydrophobicContact CG2-CD2 4.36Å
88A96.1Very high96.9Very high0 Ų034.1 Ų34.10%018%0.177CC..Hα-helixtrans-73.4-30.8-178.200000113.5R84 S85 T91 F92 V175 G179 I181R84-A88 WeakPolarHBondContact O-CB 3.36Å; R84-A88 PolarHBondContact O-N 3.34Å; S85-A88 PolarHBondContact O-N 2.92Å; A88-T91 PolarHBondContact O-N 2.75Å; A88-T91 VanDerWaalsContact O-N 3.17Å; A88-F92 PolarHBondContact O-N 3.48Å; A88-V175 HydrophobicContact CB-CG1 4.11Å; A88-V175 HydrophobicContact CB-CG2 3.99Å; A88-G179 WeakPolarHBondContact CB-O 3.2Å; A88-I181 HydrophobicContact CB-CB 4.07Å; A88-I181 HydrophobicContact CB-CG2 4.07Å
89W97.1Very high96.8Very high9 Ų934.9 Ų34.93%0.03419%0.19CC..Hα-helixtrans-55-46.2-168176.3-109.7000115.2S85 T91 F92 S93 A140 Y141 R154 H155S85-W89 WeakPolarHBondContact O-CB 3.3Å; S85-W89 PolarHBondContact O-N 3.38Å; W89-T91 VanDerWaalsContact C-N 3.29Å; W89-T91 PolarHBondContact O-N 3.35Å; W89-F92 HydrophobicContact CE3-CD1 4.36Å; W89-F92 HydrophobicContact CZ3-CD1 4.17Å; W89-F92 PolarHBondContact O-N 2.85Å; W89-S93 VanDerWaalsContact O-CB 3.24Å; W89-S93 WeakPolarHBondContact O-CB 3.29Å; W89-S93 PolarHBondContact O-N 2.9Å; W89-S93 PolarHBondContact O-OG 2.73Å; W89-A140 HydrophobicContact CZ3-CB 4.1Å; W89-Y141 AromaticContact CH2-CD1 3.57Å; W89-Y141 HydrophobicContact CH2-CD1 3.57Å; W89-Y141 AromaticContact CH2-CD2 3.96Å; W89-Y141 HydrophobicContact CH2-CD2 3.96Å; W89-Y141 AromaticContact CH2-CE1 3.68Å; W89-Y141 HydrophobicContact CH2-CE1 3.68Å; W89-Y141 HydrophobicContact CH2-CE2 4.05Å; W89-Y141 AromaticContact CH2-CG 3.72Å; W89-Y141 HydrophobicContact CH2-CG 3.72Å; W89-Y141 AromaticContact CH2-CZ 3.93Å; W89-Y141 HydrophobicContact CZ2-CD1 4.2Å; W89-Y141 HydrophobicContact CZ2-CE1 4.29Å; W89-Y141 HydrophobicContact CZ3-CD2 4.3Å; W89-Y141 HydrophobicContact CZ3-CE2 4.22Å; W89-Y141 HydrophobicContact CZ3-CG 4.48Å; W89-R154 HydrophobicContact CD2-CG 3.68Å; W89-R154 VanDerWaalsContact CE2-CG 3.45Å; W89-R154 HydrophobicContact CE3-CG 3.78Å; W89-R154 HydrophobicContact CG-CG 4.5Å; W89-R154 HydrophobicContact CH2-CB 3.71Å; W89-R154 HydrophobicContact CH2-CG 3.45Å; W89-R154 VanDerWaalsContact CH2-CG 3.45Å; W89-R154 HydrophobicContact CZ2-CB 3.61Å; W89-R154 HydrophobicContact CZ2-CG 3.34Å; W89-R154 HydrophobicContact CZ3-CB 4.36Å; W89-R154 HydrophobicContact CZ3-CG 3.67Å; W89-H155 AromaticContact CZ2-CD2 3.92Å; W89-H155 AromaticContact CZ2-CE1 3.6Å; W89-H155 AromaticContact CZ2-CG 3.97Å; W89-H155 AromaticContact CZ2-ND1 3.77Å; W89-H155 AromaticContact CZ2-NE2 3.68Å; W89-H155 AromaticContact NE1-ND1 3.72Å
90P95.5Very high96.8Very high74 Ų7431.8 Ų31.848%0.48118%0.178SC..Hα-helixtrans-57.2-43.4179.3-26.136.1000112.4S93 S94P90-S93 PolarHBondContact O-OG 3.25Å; P90-S94 WeakPolarHBondContact O-CB 3.16Å; P90-S94 PolarHBondContact O-N 2.87Å; P90-S94 PolarHBondContact O-OG 2.83Å
91T94.5Very high97Very high82 Ų8228.4 Ų28.450%0.50317%0.165SC..Hα-helixtrans-69-52.6177.1-57.50000110.8A88 W89 S93 S94 V175A88-T91 PolarHBondContact O-N 2.75Å; A88-T91 VanDerWaalsContact O-N 3.17Å; W89-T91 VanDerWaalsContact C-N 3.29Å; W89-T91 PolarHBondContact O-N 3.35Å; T91-S93 VanDerWaalsContact C-N 3.34Å; T91-S93 PolarHBondContact O-N 3.13Å; T91-S94 PolarHBondContact O-N 3.07Å; T91-S94 PolarHBondContact O-OG 2.91Å; T91-V175 HydrophobicContact CG2-CG2 3.94Å
92F96Very high97Very high3 Ų332.5 Ų32.51%0.01318%0.183CC..Hα-helixtrans-57.2-45.8-177.6-169.8-103.1000112.2I47 A88 W89 S94 V95 I121 D122 A140 Y141 V175I47-F92 HydrophobicContact CD1-CD2 4.41Å; I47-F92 HydrophobicContact CD1-CE2 4.06Å; I47-F92 HydrophobicContact CG2-CE2 4.35Å; A88-F92 PolarHBondContact O-N 3.48Å; W89-F92 HydrophobicContact CE3-CD1 4.36Å; W89-F92 HydrophobicContact CZ3-CD1 4.17Å; W89-F92 PolarHBondContact O-N 2.85Å; F92-S94 VanDerWaalsContact C-N 3.31Å; F92-S94 PolarHBondContact O-N 3.2Å; F92-V95 WeakPolarHBondContact O-CG2 3.39Å; F92-V95 PolarHBondContact O-N 2.87Å; F92-I121 HydrophobicContact CZ-CG1 4.48Å; F92-D122 HydrophobicContact CE1-CB 4.24Å; F92-D122 HydrophobicContact CE2-CB 4.31Å; F92-D122 HydrophobicContact CZ-CB 3.66Å; F92-A140 HydrophobicContact CD1-CB 4.41Å; F92-A140 HydrophobicContact CE1-CB 3.82Å; F92-Y141 HydrophobicContact CE1-CE2 4.42Å; F92-V175 HydrophobicContact CB-CG1 4.1Å; F92-V175 HydrophobicContact CD2-CG1 3.83Å; F92-V175 HydrophobicContact CG-CG1 4.42Å
93S96.8Very high97Very high17 Ų1734.5 Ų34.512%0.11919%0.192CC..Hα-helixtrans-70.9-24.9-177.864.50000113.7W89 P90 T91 V95 K127 Y141W89-S93 VanDerWaalsContact O-CB 3.24Å; W89-S93 WeakPolarHBondContact O-CB 3.29Å; W89-S93 PolarHBondContact O-N 2.9Å; W89-S93 PolarHBondContact O-OG 2.73Å; P90-S93 PolarHBondContact O-OG 3.25Å; T91-S93 VanDerWaalsContact C-N 3.34Å; T91-S93 PolarHBondContact O-N 3.13Å; S93-V95 VanDerWaalsContact C-N 3.33Å; S93-K127 PolarHBondContact O-NZ 3.49Å; S93-Y141 WeakPolarHBondContact CA-OH 3.22Å; S93-Y141 PolarHBondContact O-OH 3.27Å
94S96.2Very high97Very high72 Ų7234.5 Ų34.550%0.50319%0.192SC..Hα-helixtrans-76.5-17.6178.874.10000114.2P90 T91 F92 Q96P90-S94 WeakPolarHBondContact O-CB 3.16Å; P90-S94 PolarHBondContact O-N 2.87Å; P90-S94 PolarHBondContact O-OG 2.83Å; T91-S94 PolarHBondContact O-N 3.07Å; T91-S94 PolarHBondContact O-OG 2.91Å; F92-S94 VanDerWaalsContact C-N 3.31Å; F92-S94 PolarHBondContact O-N 3.2Å; S94-Q96 PolarHBondContact O-N 2.84Å; S94-Q96 PolarHBondContact O-NE2 3.42Å
95V96.7Very high97.1Very high20 Ų2033.7 Ų33.712%0.12119%0.19CC..PPolyproline II helixtrans-59.7136.2-176.7-179.10000111.2S45 I47 F92 S93 L124 K127S45-V95 VanDerWaalsContact O-CG1 3.28Å; S45-V95 WeakPolarHBondContact O-CG1 3.31Å; I47-V95 HydrophobicContact CD1-CB 4.08Å; I47-V95 HydrophobicContact CD1-CG1 3.86Å; I47-V95 HydrophobicContact CD1-CG2 4.13Å; I47-V95 HydrophobicContact CG1-CB 4.31Å; I47-V95 HydrophobicContact CG1-CG1 3.95Å; I47-V95 HydrophobicContact CG1-CG2 3.93Å; F92-V95 WeakPolarHBondContact O-CG2 3.39Å; F92-V95 PolarHBondContact O-N 2.87Å; S93-V95 VanDerWaalsContact C-N 3.33Å; V95-L124 HydrophobicContact CB-CD2 4.41Å; V95-L124 HydrophobicContact CG1-CD1 4.26Å; V95-L124 HydrophobicContact CG1-CD2 4.03Å; V95-K127 PolarHBondContact O-NZ 3.23Å
96Q97.8Very high97Very high126 Ų12637 Ų3759%0.58920%0.204SC*.PPolyproline II helixtrans-102.2151.5-179.6-63.2-56.5-47.100111.8S45 S94S45-Q96 WeakPolarHBondContact CB-O 3.1Å; S45-Q96 PolarHBondContact OG-O 3.38Å; S45-Q96 VanDerWaalsContact OG-O 3.12Å; S94-Q96 PolarHBondContact O-N 2.84Å; S94-Q96 PolarHBondContact O-NE2 3.42Å
97P98.4Very high97Very high12 Ų1235.6 Ų35.68%0.07820%0.198CC..PPolyproline II helixtrans-64.5136.1173.225.9-33.8000111.5H101 K102 K127 A128P97-H101 HydrophobicContact CB-CB 3.63Å; P97-K102 WeakPolarHBondContact O-CE 3.47Å; P97-K127 HydrophobicContact CG-CB 4.1Å; P97-A128 HydrophobicContact CB-CB 3.79Å; P97-A128 HydrophobicContact CG-CB 4.07Å
98N97.7Very high96.9Very high17 Ų1735.2 Ų35.29%0.09119%0.194CC..  trans-79-178.9172.263.746.4000112.1I41 E44 S45 T100 H101 K102I41-N98 PolarHBondContact O-ND2 3.06Å; E44-N98 HydrophobicContact CB-CB 4.3Å; S45-N98 WeakPolarHBondContact OG-CB 3.44Å; S45-N98 PolarHBondContact OG-N 2.81Å; S45-N98 PolarHBondContact OG-ND2 3.2Å; N98-T100 VanDerWaalsContact C-N 3.28Å; N98-T100 PolarHBondContact O-N 2.8Å; N98-T100 WeakPolarHBondContact OD1-CB 3.01Å; N98-T100 PolarHBondContact OD1-N 3.19Å; N98-H101 VanDerWaalsContact CG-ND1 3.3Å; N98-H101 PolarHBondContact ND2-CE1 3.48Å; N98-H101 PolarHBondContact ND2-ND1 2.83Å; N98-H101 PolarHBondContact O-N 3.29Å; N98-H101 PolarHBondContact OD1-N 3.28Å; N98-H101 PolarHBondContact OD1-ND1 2.93Å; N98-K102 PolarHBondContact O-N 2.79Å
99A96.9Very high96.9Very high45 Ų4542.3 Ų42.337%0.37223%0.228SC..Hα-helixtrans-59.2-34.6-178.600000113.4K102 K103 T281A99-K102 PolarHBondContact O-N 3.15Å; A99-K103 WeakPolarHBondContact O-CB 3.4Å; A99-K103 PolarHBondContact O-N 3.34Å; A99-T281 HydrophobicContact CB-CG2 3.74Å
100T98.2Very high96.7Very high0 Ų048.9 Ų48.90%025%0.252CS..Hα-helixtrans-64.1-45.8177.9-60.10000111.3I41 N98 K102 K103 L104 L235 C280 T281 M284I41-T100 HydrophobicContact CD1-CG2 3.45Å; I41-T100 VanDerWaalsContact CD1-CG2 3.45Å; I41-T100 HydrophobicContact CG1-CG2 3.77Å; N98-T100 VanDerWaalsContact C-N 3.28Å; N98-T100 PolarHBondContact O-N 2.8Å; N98-T100 WeakPolarHBondContact OD1-CB 3.01Å; N98-T100 PolarHBondContact OD1-N 3.19Å; T100-K102 VanDerWaalsContact C-N 3.33Å; T100-K102 PolarHBondContact O-N 3.04Å; T100-K103 PolarHBondContact O-N 3.33Å; T100-L104 HydrophobicContact CG2-CD1 4.26Å; T100-L104 WeakPolarHBondContact O-CG 3.27Å; T100-L104 PolarHBondContact O-N 3.45Å; T100-L235 HydrophobicContact CG2-CD1 4.2Å; T100-C280 HydrophobicContact CG2-CB 4.11Å; T100-T281 WeakPolarHBondContact OG1-CA 3.44Å; T100-T281 PolarHBondContact OG1-N 2.81Å; T100-T281 VanDerWaalsContact OG1-N 3.11Å; T100-T281 PolarHBondContact OG1-OG1 2.93Å; T100-M284 HydrophobicContact CG2-CB 4.43Å; T100-M284 HydrophobicContact CG2-CG 3.93Å
101H98.8Very high96.6Very high0 Ų049.2 Ų49.20%026%0.257CS..Hα-helixtrans-60.5-43.7177.5-66.587.5000111.7P97 N98 L104 A105 L124 H125 A128P97-H101 HydrophobicContact CB-CB 3.63Å; N98-H101 VanDerWaalsContact CG-ND1 3.3Å; N98-H101 PolarHBondContact ND2-CE1 3.48Å; N98-H101 PolarHBondContact ND2-ND1 2.83Å; N98-H101 PolarHBondContact O-N 3.29Å; N98-H101 PolarHBondContact OD1-N 3.28Å; N98-H101 PolarHBondContact OD1-ND1 2.93Å; H101-L104 PolarHBondContact O-N 3.44Å; H101-A105 PolarHBondContact O-N 2.76Å; H101-L124 WeakPolarHBondContact NE2-CB 3.33Å; H101-H125 AromaticContact CD2-CE1 3.61Å; H101-H125 AromaticContact CD2-CG 3.99Å; H101-H125 AromaticContact CD2-ND1 3.64Å; H101-H125 AromaticContact CD2-NE2 3.93Å; H101-A128 HydrophobicContact CB-CB 3.79Å; H101-A128 WeakPolarHBondContact O-CB 3.39Å
102K98.3Very high96.5Very high111 Ų11147.4 Ų47.448%0.48324%0.241SC..Hα-helixtrans-63.8-45178.3-66.6175.9-178.1178.30111.8P97 N98 A99 T100 L104 A105 E106P97-K102 WeakPolarHBondContact O-CE 3.47Å; N98-K102 PolarHBondContact O-N 2.79Å; A99-K102 PolarHBondContact O-N 3.15Å; T100-K102 VanDerWaalsContact C-N 3.33Å; T100-K102 PolarHBondContact O-N 3.04Å; K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 3.42Å; K102-A105 WeakPolarHBondContact O-CB 3.38Å; K102-A105 PolarHBondContact O-N 3.49Å; K102-A105 VanDerWaalsContact O-N 3.13Å; K102-E106 WeakPolarHBondContact O-CG 3.28Å; K102-E106 PolarHBondContact O-N 3.47Å
103K97Very high96.5Very high42 Ų4247.2 Ų47.218%0.18324%0.24CC..Hα-helixtrans-59.4-39.4175.6-176.866.4159.2173.70112A99 T100 E106 W107 M284 D289A99-K103 WeakPolarHBondContact O-CB 3.4Å; A99-K103 PolarHBondContact O-N 3.34Å; T100-K103 PolarHBondContact O-N 3.33Å; K103-E106 WeakPolarHBondContact O-CB 3.37Å; K103-E106 PolarHBondContact O-N 3.31Å; K103-W107 WeakPolarHBondContact O-CB 3.29Å; K103-W107 PolarHBondContact O-N 3.36Å; K103-M284 HydrophobicContact CG-CE 4.28Å; K103-D289 IonicContact NZ-OD1 3.02Å; K103-D289 PolarHBondContact NZ-OD1 3.38Å
104L97.8Very high96.5Very high0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-66.7-39.2174.9-67.8170.9000112.4V35 T37 I41 T100 H101 K102 E106 W107 E108 I113 L116 L235 M284V35-L104 HydrophobicContact CG1-CD1 4.35Å; V35-L104 HydrophobicContact CG1-CD2 4.08Å; V35-L104 HydrophobicContact CG2-CD2 4.25Å; T37-L104 HydrophobicContact CG2-CD1 4.3Å; I41-L104 HydrophobicContact CD1-CD1 3.97Å; T100-L104 HydrophobicContact CG2-CD1 4.26Å; T100-L104 WeakPolarHBondContact O-CG 3.27Å; T100-L104 PolarHBondContact O-N 3.45Å; H101-L104 PolarHBondContact O-N 3.44Å; K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 3.42Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-W107 HydrophobicContact CD2-CE3 4.18Å; L104-W107 PolarHBondContact O-N 3.07Å; L104-E108 PolarHBondContact O-N 3.34Å; L104-I113 HydrophobicContact CB-CD1 4.16Å; L104-I113 HydrophobicContact CD2-CD1 3.78Å; L104-I113 WeakPolarHBondContact O-CD1 3.36Å; L104-L116 HydrophobicContact CB-CD1 4.22Å; L104-L116 HydrophobicContact CD1-CD1 4.13Å; L104-L235 HydrophobicContact CD1-CD1 3.81Å; L104-L235 HydrophobicContact CD2-CD1 3.97Å; L104-L235 HydrophobicContact CG-CD1 4.34Å; L104-M284 HydrophobicContact CD2-CE 4.13Å
105A98Very high96.7Very high2 Ų246.8 Ų46.82%0.01723%0.226CC..Hα-helixtrans-64.4-38.1172.800000112.1H101 K102 E108 Q109 A128H101-A105 PolarHBondContact O-N 2.76Å; K102-A105 WeakPolarHBondContact O-CB 3.38Å; K102-A105 PolarHBondContact O-N 3.49Å; K102-A105 VanDerWaalsContact O-N 3.13Å; A105-E108 PolarHBondContact O-N 3.3Å; A105-Q109 WeakPolarHBondContact O-CG 3.29Å; A105-Q109 PolarHBondContact O-N 3Å; A105-Q109 VanDerWaalsContact O-N 3.09Å; A105-A128 HydrophobicContact CB-CB 4.23Å; A105-A128 WeakPolarHBondContact CB-O 3.16Å
106E95.9Very high96.8Very high81 Ų8145.9 Ų45.938%0.37922%0.22SC..Hα-helixtrans-64.8-42.1172.9-70169.3-169.400112.1K102 K103 L104 E108 Q109 R110K102-E106 WeakPolarHBondContact O-CG 3.28Å; K102-E106 PolarHBondContact O-N 3.47Å; K103-E106 WeakPolarHBondContact O-CB 3.37Å; K103-E106 PolarHBondContact O-N 3.31Å; L104-E106 VanDerWaalsContact C-N 3.34Å; E106-E108 VanDerWaalsContact C-N 3.32Å; E106-E108 PolarHBondContact O-N 2.75Å; E106-Q109 WeakPolarHBondContact O-CB 3.47Å; E106-Q109 PolarHBondContact O-N 2.75Å; E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 3.4Å; E106-R110 VanDerWaalsContact O-N 3.08Å
107W95.7Very high96.8Very high5 Ų539.9 Ų39.92%0.01919%0.192CC..Hα-helixtrans-60.6-41.2173.9-81.112.5000111.9L27 L33 K103 L104 R110 S111 R112 I113 L233 M284 V287 D289L27-W107 HydrophobicContact CD1-CH2 4.22Å; L33-W107 HydrophobicContact CD2-CE3 4.34Å; L33-W107 HydrophobicContact CD2-CZ3 3.96Å; K103-W107 WeakPolarHBondContact O-CB 3.29Å; K103-W107 PolarHBondContact O-N 3.36Å; L104-W107 HydrophobicContact CD2-CE3 4.18Å; L104-W107 PolarHBondContact O-N 3.07Å; W107-R110 CarbonylContact O-C 3.43Å; W107-R110 PolarHBondContact O-N 3.27Å; W107-S111 PolarHBondContact O-N 3.14Å; W107-R112 HydrophobicContact CB-CB 4.02Å; W107-R112 HydrophobicContact CB-CG 4.22Å; W107-R112 HydrophobicContact CD2-CG 4.03Å; W107-R112 HydrophobicContact CE3-CG 4.11Å; W107-R112 HydrophobicContact CG-CB 4.34Å; W107-R112 HydrophobicContact CG-CG 4.1Å; W107-R112 VanDerWaalsContact O-CB 3.27Å; W107-R112 WeakPolarHBondContact O-CB 3.28Å; W107-R112 PolarHBondContact O-N 3.06Å; W107-I113 HydrophobicContact CB-CD1 3.71Å; W107-I113 HydrophobicContact CB-CG1 3.91Å; W107-I113 HydrophobicContact CE3-CD1 4.27Å; W107-I113 HydrophobicContact CE3-CG1 4.23Å; W107-L233 HydrophobicContact CH2-CD2 4.43Å; W107-L233 HydrophobicContact CZ3-CD2 3.91Å; W107-M284 HydrophobicContact CE3-CE 4.27Å; W107-M284 HydrophobicContact CH2-CE 3.52Å; W107-M284 HydrophobicContact CH2-SD 4.43Å; W107-M284 HydrophobicContact CZ2-CE 3.81Å; W107-M284 HydrophobicContact CZ3-CE 3.77Å; W107-V287 HydrophobicContact CH2-CG2 4.16Å; W107-V287 HydrophobicContact CZ2-CG2 4.07Å; W107-D289 PolarHBondContact NE1-OD1 2.91Å
108E96Very high96.8Very high21 Ų2139.4 Ų39.410%0.09819%0.189CC..Hα-helixtrans-59.9-46.1173.6-174.4-173.3153.400111.7L104 A105 E106 R110 S111 S130 R131 R132L104-E108 PolarHBondContact O-N 3.34Å; A105-E108 PolarHBondContact O-N 3.3Å; E106-E108 VanDerWaalsContact C-N 3.32Å; E106-E108 PolarHBondContact O-N 2.75Å; E108-R110 PolarHBondContact O-N 2.91Å; E108-S111 WeakPolarHBondContact O-CA 3.47Å; E108-S111 PolarHBondContact O-N 3.34Å; E108-S130 WeakPolarHBondContact OE2-CA 3.46Å; E108-S130 WeakPolarHBondContact OE2-CB 3.17Å; E108-R131 VanDerWaalsContact CD-N 3.31Å; E108-R131 WeakPolarHBondContact OE1-CA 3.34Å; E108-R131 VanDerWaalsContact OE1-CB 3.32Å; E108-R131 WeakPolarHBondContact OE1-CB 3.26Å; E108-R131 PolarHBondContact OE1-N 3.12Å; E108-R131 PolarHBondContact OE2-N 3.2Å; E108-R132 HydrophobicContact CG-CB 4.34Å; E108-R132 HydrophobicContact CG-CG 4.36Å; E108-R132 PolarHBondContact OE1-N 2.75Å; E108-R132 PolarHBondContact OE2-N 3.39Å
109Q95.1Very high96.9Very high150 Ų15039.5 Ų39.570%0.70119%0.189SC*.Hα-helixtrans-60-31.2177.9-69.6170.22700112.4A105 E106 S111A105-Q109 WeakPolarHBondContact O-CG 3.29Å; A105-Q109 PolarHBondContact O-N 3Å; A105-Q109 VanDerWaalsContact O-N 3.09Å; E106-Q109 WeakPolarHBondContact O-CB 3.47Å; E106-Q109 PolarHBondContact O-N 2.75Å; Q109-S111 VanDerWaalsContact C-N 3.25Å; Q109-S111 PolarHBondContact O-N 2.88Å
110R93.1Very high96.9Very high146 Ų14638 Ų3855%0.55118%0.175SC*.THydrogen-bonded Turntrans-85.810.4175.3-63.6173.8-171.5-177.91.7113.4E106 W107 E108 R112 D289E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 3.4Å; E106-R110 VanDerWaalsContact O-N 3.08Å; W107-R110 CarbonylContact O-C 3.43Å; W107-R110 PolarHBondContact O-N 3.27Å; E108-R110 PolarHBondContact O-N 2.91Å; R110-R112 PolarHBondContact O-N 3.01Å; R110-R112 VanDerWaalsContact O-N 3.11Å; R110-D289 IonicContact CZ-OD2 3.54Å; R110-D289 IonicContact NH1-OD2 2.7Å; R110-D289 PolarHBondContact NH1-OD2 3.31Å
111S93.1Very high96.9Very high82 Ų8238.5 Ų38.557%0.57318%0.177SC*.THydrogen-bonded Turntrans55.823.2-176.4-61.50000114.4W107 E108 Q109W107-S111 PolarHBondContact O-N 3.14Å; E108-S111 WeakPolarHBondContact O-CA 3.47Å; E108-S111 PolarHBondContact O-N 3.34Å; Q109-S111 VanDerWaalsContact C-N 3.25Å; Q109-S111 PolarHBondContact O-N 2.88Å
112R92.9Very high96.9Very high43 Ų4338.8 Ų38.816%0.16218%0.179CC..  trans-77.4-30.3178.9177.162.7-171.2155.817.5112.2L27 S30 W107 R110L27-R112 VanDerWaalsContact C-NH2 3.28Å; L27-R112 PolarHBondContact O-NH1 2.93Å; L27-R112 PolarHBondContact O-NH2 3.47Å; S30-R112 PolarHBondContact O-NH1 2.55Å; W107-R112 HydrophobicContact CB-CB 4.02Å; W107-R112 HydrophobicContact CB-CG 4.22Å; W107-R112 HydrophobicContact CD2-CG 4.03Å; W107-R112 HydrophobicContact CE3-CG 4.11Å; W107-R112 HydrophobicContact CG-CB 4.34Å; W107-R112 HydrophobicContact CG-CG 4.1Å; W107-R112 VanDerWaalsContact O-CB 3.27Å; W107-R112 WeakPolarHBondContact O-CB 3.28Å; W107-R112 PolarHBondContact O-N 3.06Å; R110-R112 PolarHBondContact O-N 3.01Å; R110-R112 VanDerWaalsContact O-N 3.11Å
113I96.1Very high96.9Very high0 Ų034 Ų340%016%0.159CC..EExtended strand (participates in β ladder)trans-99.3123.1176.4-64.6171.6000108.9V35 L104 W107 W115 L116 R132V35-I113 HydrophobicContact CG2-CD1 3.88Å; V35-I113 HydrophobicContact CG2-CG1 3.87Å; V35-I113 HydrophobicContact CG2-CG2 4.22Å; L104-I113 HydrophobicContact CB-CD1 4.16Å; L104-I113 HydrophobicContact CD2-CD1 3.78Å; L104-I113 WeakPolarHBondContact O-CD1 3.36Å; W107-I113 HydrophobicContact CB-CD1 3.71Å; W107-I113 HydrophobicContact CB-CG1 3.91Å; W107-I113 HydrophobicContact CE3-CD1 4.27Å; W107-I113 HydrophobicContact CE3-CG1 4.23Å; I113-W115 VanDerWaalsContact CG2-C 3.5Å; I113-W115 WeakPolarHBondContact CG2-O 3.47Å; I113-L116 HydrophobicContact CG2-CB 4.5Å; I113-R132 PolarHBondContact O-NH1 2.88Å
114H97.6Very high97Very high32 Ų3232 Ų3215%0.14815%0.15CC..EExtended strand (participates in β ladder)trans-70.3-51.5170.217466.4000110.4R32 L33 R225 E228R32-H114 HydrophobicContact CB-CB 4.21Å; L33-H114 WeakPolarHBondContact O-CB 3.26Å; L33-H114 PolarHBondContact O-N 2.92Å; H114-R225 WeakPolarHBondContact NE2-CD 3.45Å; H114-E228 IonicContact CE1-OE2 3.24Å; H114-E228 PolarHBondContact CE1-OE2 3.39Å; H114-E228 IonicContact NE2-OE2 2.69Å; H114-E228 PolarHBondContact NE2-OE2 3.08Å
115W98.7Very high97Very high48 Ų4832 Ų3218%0.18215%0.151CC..EExtended strand (participates in β ladder)trans-154.3146.1176.3-155.4-101.4000112V34 V35 I113 R132 T134 R225V34-W115 WeakPolarHBondContact CA-O 3.36Å; V34-W115 HydrophobicContact CG2-CB 4.22Å; V35-W115 PolarHBondContact N-O 2.87Å; I113-W115 VanDerWaalsContact CG2-C 3.5Å; I113-W115 WeakPolarHBondContact CG2-O 3.47Å; W115-R132 HydrophobicContact CD2-CB 4.33Å; W115-R132 HydrophobicContact CE3-CB 3.75Å; W115-R132 HydrophobicContact CE3-CG 4.26Å; W115-R132 HydrophobicContact CZ3-CB 3.9Å; W115-R132 HydrophobicContact CZ3-CG 4.1Å; W115-T134 PolarHBondContact NE1-OG1 3.37Å; W115-R225 HydrophobicContact CB-CB 3.94Å; W115-R225 HydrophobicContact CB-CG 4.03Å; W115-R225 HydrophobicContact CD2-CG 3.91Å; W115-R225 HydrophobicContact CE3-CG 4.36Å; W115-R225 HydrophobicContact CG-CB 4.06Å; W115-R225 HydrophobicContact CG-CG 3.74Å
116L98.9Very high97.1Very high1 Ų137.9 Ų37.91%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-108.2127.6172.2-162.7153.9000109.8V35 T37 L104 I113 R132 L133 T134V35-L116 HydrophobicContact CB-CG 4.22Å; V35-L116 HydrophobicContact CG1-CD1 4.49Å; V35-L116 HydrophobicContact CG1-CG 4.37Å; V35-L116 CarbonylContact O-C 3.52Å; V35-L116 WeakPolarHBondContact O-CA 3.29Å; T37-L116 HydrophobicContact CG2-CD2 4.45Å; L104-L116 HydrophobicContact CB-CD1 4.22Å; L104-L116 HydrophobicContact CD1-CD1 4.13Å; I113-L116 HydrophobicContact CG2-CB 4.5Å; L116-R132 PolarHBondContact N-O 2.85Å; L116-L133 HydrophobicContact CB-CD1 4.21Å; L116-L133 HydrophobicContact CD2-CD1 3.33Å; L116-L133 HydrophobicContact CG-CD1 4.28Å; L116-L133 CarbonylContact O-C 3.53Å; L116-L133 VanDerWaalsContact O-CA 3.3Å; L116-L133 WeakPolarHBondContact O-CA 3.31Å; L116-T134 PolarHBondContact O-N 3.49Å
117I98.8Very high97.2Very high0 Ų037.4 Ų37.40%017%0.169CC..EExtended strand (participates in β ladder)trans-114127.9171.2-52.4166.7000107.5V34 V35 M36 T37 T134 L136 C222 V226 F247V34-I117 HydrophobicContact CG1-CD1 4.11Å; V35-I117 PolarHBondContact O-N 3.31Å; M36-I117 CarbonylContact C-O 3.55Å; M36-I117 VanDerWaalsContact CA-O 3.27Å; M36-I117 WeakPolarHBondContact CA-O 3.28Å; M36-I117 HydrophobicContact CE-CB 3.55Å; M36-I117 HydrophobicContact CE-CD1 3.87Å; M36-I117 HydrophobicContact CE-CG1 4.3Å; M36-I117 HydrophobicContact CE-CG2 3.51Å; M36-I117 HydrophobicContact SD-CB 3.88Å; M36-I117 HydrophobicContact SD-CG2 3.76Å; T37-I117 PolarHBondContact N-O 3.38Å; I117-T134 WeakPolarHBondContact CA-O 3.13Å; I117-L136 HydrophobicContact CG2-CB 4.1Å; I117-C222 HydrophobicContact CD1-CB 3.89Å; I117-V226 HydrophobicContact CD1-CG2 3.95Å; I117-F247 HydrophobicContact CD1-CD2 4.5Å
118T98.8Very high97.3Very high2 Ų238.1 Ų38.11%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-121.6138.3175-168.30000110.9T37 N120 L133 T134 E135 L136T37-T118 WeakPolarHBondContact OG1-CA 3.29Å; T37-T118 WeakPolarHBondContact OG1-CB 3.33Å; T37-T118 PolarHBondContact OG1-OG1 2.95Å; T118-N120 VanDerWaalsContact C-N 3.27Å; T118-N120 WeakPolarHBondContact OG1-CB 3.42Å; T118-N120 PolarHBondContact OG1-N 2.96Å; T118-N120 VanDerWaalsContact OG1-N 3.09Å; T118-L133 HydrophobicContact CG2-CD1 3.91Å; T118-T134 PolarHBondContact N-O 2.74Å; T118-E135 HydrophobicContact CG2-CB 4.34Å; T118-E135 HydrophobicContact CG2-CG 3.91Å; T118-L136 VanDerWaalsContact O-CB 3.3Å; T118-L136 WeakPolarHBondContact O-CB 3.38Å; T118-L136 PolarHBondContact O-N 3.13Å
119Q98.2Very high97.4Very high19 Ų1938.7 Ų38.79%0.08919%0.188CC..  trans-83.7-8.5166.9-65.4168.898.900111.5M36 T37 L136 H137 S237M36-Q119 HydrophobicContact SD-CG 4.42Å; T37-Q119 PolarHBondContact O-N 3.41Å; T37-Q119 PolarHBondContact O-NE2 2.66Å; Q119-L136 HydrophobicContact CG-CD2 4.22Å; Q119-H137 PolarHBondContact O-ND1 2.91Å; Q119-H137 VanDerWaalsContact O-ND1 3.14Å; Q119-S237 PolarHBondContact NE2-OG 2.94Å
120N98.5Very high97.6Very high12 Ų1231.8 Ų31.86%0.06416%0.156CC..  trans-82.2149.1-175.4-60.3-6.9000110.7G38 A39 S42 T118G38-N120 VanDerWaalsContact CA-OD1 3.28Å; G38-N120 WeakPolarHBondContact CA-OD1 3.49Å; G38-N120 PolarHBondContact O-ND2 3Å; G38-N120 PolarHBondContact O-OD1 3.36Å; A39-N120 VanDerWaalsContact CA-OD1 3.25Å; A39-N120 WeakPolarHBondContact CA-OD1 3.25Å; A39-N120 PolarHBondContact N-OD1 2.54Å; S42-N120 PolarHBondContact OG-ND2 3.4Å; T118-N120 VanDerWaalsContact C-N 3.27Å; T118-N120 WeakPolarHBondContact OG1-CB 3.42Å; T118-N120 PolarHBondContact OG1-N 2.96Å; T118-N120 VanDerWaalsContact OG1-N 3.09Å
121I98Very high97.9Very high12 Ų1235.1 Ų35.16%0.06217%0.169CC..  trans-111.410-176.863.8170.6000112.4F92 H137 G138 A140 D178 I207F92-I121 HydrophobicContact CZ-CG1 4.48Å; I121-H137 HydrophobicContact CG2-CB 3.88Å; I121-G138 WeakPolarHBondContact CG2-O 3.5Å; I121-A140 PolarHBondContact O-N 3.29Å; I121-D178 HydrophobicContact CD1-CB 3.83Å; I121-I207 HydrophobicContact CB-CG1 4.23Å; I121-I207 HydrophobicContact CD1-CD1 3.44Å; I121-I207 VanDerWaalsContact CD1-CD1 3.44Å; I121-I207 HydrophobicContact CD1-CG1 3.78Å; I121-I207 HydrophobicContact CD1-CG2 3.92Å; I121-I207 HydrophobicContact CG2-CG1 4.38Å; I121-I207 HydrophobicContact CG2-CG2 4.15Å
122D98.3Very high98.1Very high6 Ų636.1 Ų36.13%0.03216%0.16CC..SBendtrans-86.5-6.8-170.558.425.6000114.3S42 I47 F92 L124 Y141S42-D122 WeakPolarHBondContact CB-OD2 3.28Å; S42-D122 PolarHBondContact OG-OD2 2.81Å; I47-D122 HydrophobicContact CD1-CB 3.76Å; F92-D122 HydrophobicContact CE1-CB 4.24Å; F92-D122 HydrophobicContact CE2-CB 4.31Å; F92-D122 HydrophobicContact CZ-CB 3.66Å; D122-L124 HydrophobicContact CB-CG 4.06Å; D122-L124 PolarHBondContact O-N 3.28Å; D122-L124 WeakPolarHBondContact OD1-CB 3.27Å; D122-L124 WeakPolarHBondContact OD1-CG 3.23Å; D122-L124 PolarHBondContact OD1-N 3.32Å; D122-Y141 VanDerWaalsContact O-CE2 3.28Å; D122-Y141 WeakPolarHBondContact O-CE2 3.12Å; D122-Y141 PolarHBondContact O-OH 3.15Å
123C98.2Very high98.4Very high9 Ų934.7 Ų34.76%0.06116%0.155CC..  trans57.517.6-174.4-72.60000114.7H125 R126 K127 E135 N139 Y141C123-H125 VanDerWaalsContact C-N 3.31Å; C123-H125 PolarHBondContact O-N 3.02Å; C123-R126 PolarHBondContact O-N 2.84Å; C123-K127 WeakPolarHBondContact O-CG 3.32Å; C123-K127 PolarHBondContact O-N 2.66Å; C123-E135 PolarHBondContact SG-OE1 3.04Å; C123-E135 VanDerWaalsContact SG-OE1 3.39Å; C123-N139 VanDerWaalsContact SG-CB 3.54Å; C123-Y141 HydrophobicContact CB-CD2 3.69Å; C123-Y141 HydrophobicContact CB-CE2 3.61Å; C123-Y141 HydrophobicContact CB-CG 4.27Å; C123-Y141 WeakPolarHBondContact SG-CD2 3.46Å
124L98.8Very high98.5Very high0 Ų035.3 Ų35.30%016%0.159CC..Hα-helixtrans-65.2-33.6-176-68.6-171.4000112.8I47 V95 H101 D122 K127 A128I47-L124 HydrophobicContact CD1-CD1 4.12Å; V95-L124 HydrophobicContact CB-CD2 4.41Å; V95-L124 HydrophobicContact CG1-CD1 4.26Å; V95-L124 HydrophobicContact CG1-CD2 4.03Å; H101-L124 WeakPolarHBondContact NE2-CB 3.33Å; D122-L124 HydrophobicContact CB-CG 4.06Å; D122-L124 PolarHBondContact O-N 3.28Å; D122-L124 WeakPolarHBondContact OD1-CB 3.27Å; D122-L124 WeakPolarHBondContact OD1-CG 3.23Å; D122-L124 PolarHBondContact OD1-N 3.32Å; L124-K127 HydrophobicContact CD2-CD 4Å; L124-K127 PolarHBondContact O-N 3.45Å; L124-A128 WeakPolarHBondContact O-CB 3.31Å; L124-A128 PolarHBondContact O-N 3.12Å
125H98.8Very high98.5Very high2 Ų234.8 Ų34.81%0.00916%0.157CC..Hα-helixtrans-63-44.6172.1-73.7-63.3000112.4T37 H101 C123 K127 A128 G129 S130 L133T37-H125 PolarHBondContact OG1-NE2 3.2Å; H101-H125 AromaticContact CD2-CE1 3.61Å; H101-H125 AromaticContact CD2-CG 3.99Å; H101-H125 AromaticContact CD2-ND1 3.64Å; H101-H125 AromaticContact CD2-NE2 3.93Å; C123-H125 VanDerWaalsContact C-N 3.31Å; C123-H125 PolarHBondContact O-N 3.02Å; H125-K127 PolarHBondContact O-N 3.02Å; H125-A128 WeakPolarHBondContact O-CB 3.48Å; H125-A128 PolarHBondContact O-N 2.95Å; H125-G129 PolarHBondContact O-N 3.18Å; H125-G129 VanDerWaalsContact O-N 3.16Å; H125-S130 WeakPolarHBondContact O-CB 3.48Å; H125-S130 PolarHBondContact O-N 3.02Å; H125-L133 HydrophobicContact CB-CD1 4.14Å; H125-L133 HydrophobicContact CB-CD2 3.96Å
126R98.5Very high98.5Very high125 Ų12532.9 Ų32.947%0.47215%0.15SC..Hα-helixtrans-61.9-44.1175.3-67.3-172.3-174.9-84.7-1111.5C123 A128 G129 L133 E135C123-R126 PolarHBondContact O-N 2.84Å; R126-A128 PolarHBondContact O-N 2.94Å; R126-G129 PolarHBondContact O-N 3.35Å; R126-L133 HydrophobicContact CG-CD2 3.55Å; R126-E135 IonicContact CZ-OE2 3.05Å; R126-E135 VanDerWaalsContact CZ-OE2 3.29Å; R126-E135 IonicContact NE-OE1 2.82Å; R126-E135 PolarHBondContact NE-OE1 2.65Å; R126-E135 VanDerWaalsContact NE-OE1 3.08Å; R126-E135 IonicContact NE-OE2 3.69Å; R126-E135 PolarHBondContact NE-OE2 3.19Å; R126-E135 IonicContact NH2-OE2 3.84Å; R126-E135 PolarHBondContact NH2-OE2 2.91Å
127K98.6Very high98.4Very high70 Ų7034.3 Ų34.330%0.30416%0.157SC..Hα-helixtrans-61.8-32.7176-72.6173.3170-177.80112.5S93 V95 P97 C123 L124 H125 G129 Y141S93-K127 PolarHBondContact O-NZ 3.49Å; V95-K127 PolarHBondContact O-NZ 3.23Å; P97-K127 HydrophobicContact CG-CB 4.1Å; C123-K127 WeakPolarHBondContact O-CG 3.32Å; C123-K127 PolarHBondContact O-N 2.66Å; L124-K127 HydrophobicContact CD2-CD 4Å; L124-K127 PolarHBondContact O-N 3.45Å; H125-K127 PolarHBondContact O-N 3.02Å; K127-G129 VanDerWaalsContact C-N 3.25Å; K127-G129 PolarHBondContact O-N 2.9Å; K127-Y141 VanDerWaalsContact CE-OH 3.25Å; K127-Y141 WeakPolarHBondContact CE-OH 3.33Å; K127-Y141 PolarHBondContact NZ-OH 2.8Å
128A98.7Very high98.3Very high20 Ų2035.1 Ų35.117%0.16517%0.165CC..Hα-helixtrans-74.4-15.9174.500000113.3P97 H101 A105 L124 H125 R126P97-A128 HydrophobicContact CB-CB 3.79Å; P97-A128 HydrophobicContact CG-CB 4.07Å; H101-A128 HydrophobicContact CB-CB 3.79Å; H101-A128 WeakPolarHBondContact O-CB 3.39Å; A105-A128 HydrophobicContact CB-CB 4.23Å; A105-A128 WeakPolarHBondContact CB-O 3.16Å; L124-A128 WeakPolarHBondContact O-CB 3.31Å; L124-A128 PolarHBondContact O-N 3.12Å; H125-A128 WeakPolarHBondContact O-CB 3.48Å; H125-A128 PolarHBondContact O-N 2.95Å; R126-A128 PolarHBondContact O-N 2.94Å
129G98.5Very high98.2Very high34 Ų3436.2 Ų36.235%0.35117%0.17SC..THydrogen-bonded Turntrans106.46.8177.800000114.9H125 R126 K127H125-G129 PolarHBondContact O-N 3.18Å; H125-G129 VanDerWaalsContact O-N 3.16Å; R126-G129 PolarHBondContact O-N 3.35Å; K127-G129 VanDerWaalsContact C-N 3.25Å; K127-G129 PolarHBondContact O-N 2.9Å
130S98.7Very high98.2Very high5 Ų535.7 Ų35.74%0.03517%0.169CC..  trans-65.1137175.6-60.10000111.6E108 H125E108-S130 WeakPolarHBondContact OE2-CA 3.46Å; E108-S130 WeakPolarHBondContact OE2-CB 3.17Å; H125-S130 WeakPolarHBondContact O-CB 3.48Å; H125-S130 PolarHBondContact O-N 3.02Å
131R98.4Very high98.2Very high216 Ų21636.3 Ų36.382%0.81517%0.171SC*.  trans-123.3-35.5-177.4-55-176.5179.2-169.2-1.2113E108 L133E108-R131 VanDerWaalsContact CD-N 3.31Å; E108-R131 WeakPolarHBondContact OE1-CA 3.34Å; E108-R131 VanDerWaalsContact OE1-CB 3.32Å; E108-R131 WeakPolarHBondContact OE1-CB 3.26Å; E108-R131 PolarHBondContact OE1-N 3.12Å; E108-R131 PolarHBondContact OE2-N 3.2Å; R131-L133 PolarHBondContact O-N 3.28Å
132R98.3Very high98.2Very high102 Ų10236.7 Ų36.739%0.38518%0.175SC..SBendtrans-78.768.3172-66.8-177.2-177.6175.11.7110.3E108 I113 W115 L116E108-R132 HydrophobicContact CG-CB 4.34Å; E108-R132 HydrophobicContact CG-CG 4.36Å; E108-R132 PolarHBondContact OE1-N 2.75Å; E108-R132 PolarHBondContact OE2-N 3.39Å; I113-R132 PolarHBondContact O-NH1 2.88Å; W115-R132 HydrophobicContact CD2-CB 4.33Å; W115-R132 HydrophobicContact CE3-CB 3.75Å; W115-R132 HydrophobicContact CE3-CG 4.26Å; W115-R132 HydrophobicContact CZ3-CB 3.9Å; W115-R132 HydrophobicContact CZ3-CG 4.1Å; L116-R132 PolarHBondContact N-O 2.85Å
133L98.6Very high98.2Very high14 Ų1436.4 Ų36.47%0.07317%0.173CC..EExtended strand (participates in β ladder)trans-131.6132.5-164.9175.466.2000111.9L116 T118 H125 R126 R131 E135L116-L133 HydrophobicContact CB-CD1 4.21Å; L116-L133 HydrophobicContact CD2-CD1 3.33Å; L116-L133 HydrophobicContact CG-CD1 4.28Å; L116-L133 CarbonylContact O-C 3.53Å; L116-L133 VanDerWaalsContact O-CA 3.3Å; L116-L133 WeakPolarHBondContact O-CA 3.31Å; T118-L133 HydrophobicContact CG2-CD1 3.91Å; H125-L133 HydrophobicContact CB-CD1 4.14Å; H125-L133 HydrophobicContact CB-CD2 3.96Å; R126-L133 HydrophobicContact CG-CD2 3.55Å; R131-L133 PolarHBondContact O-N 3.28Å; L133-E135 HydrophobicContact CD2-CG 4.02Å; L133-E135 HydrophobicContact CG-CG 4.22Å
134T98.6Very high98.2Very high13 Ų1339.3 Ų39.38%0.0818%0.183CC..EExtended strand (participates in β ladder)trans-110.9120.8158.4-54.80000110.5W115 L116 I117 T118 L136 E218 C222W115-T134 PolarHBondContact NE1-OG1 3.37Å; L116-T134 PolarHBondContact O-N 3.49Å; I117-T134 WeakPolarHBondContact CA-O 3.13Å; T118-T134 PolarHBondContact N-O 2.74Å; T134-L136 PolarHBondContact O-N 3.39Å; T134-E218 HydrophobicContact CG2-CB 4.27Å; T134-C222 VanDerWaalsContact CG2-SG 3.51Å
135E98.1Very high98.2Very high21 Ų2139.3 Ų39.310%0.09818%0.183CC..EExtended strand (participates in β ladder)trans-85.589.5167.3-67.7169.6143.800108T118 C123 R126 L133 H137 G138 N139T118-E135 HydrophobicContact CG2-CB 4.34Å; T118-E135 HydrophobicContact CG2-CG 3.91Å; C123-E135 PolarHBondContact SG-OE1 3.04Å; C123-E135 VanDerWaalsContact SG-OE1 3.39Å; R126-E135 IonicContact CZ-OE2 3.05Å; R126-E135 VanDerWaalsContact CZ-OE2 3.29Å; R126-E135 IonicContact NE-OE1 2.82Å; R126-E135 PolarHBondContact NE-OE1 2.65Å; R126-E135 VanDerWaalsContact NE-OE1 3.08Å; R126-E135 IonicContact NE-OE2 3.69Å; R126-E135 PolarHBondContact NE-OE2 3.19Å; R126-E135 IonicContact NH2-OE2 3.84Å; R126-E135 PolarHBondContact NH2-OE2 2.91Å; L133-E135 HydrophobicContact CD2-CG 4.02Å; L133-E135 HydrophobicContact CG-CG 4.22Å; E135-H137 VanDerWaalsContact C-N 3.25Å; E135-H137 PolarHBondContact O-N 2.82Å; E135-G138 WeakPolarHBondContact O-CA 3.35Å; E135-G138 PolarHBondContact O-N 3.39Å; E135-N139 PolarHBondContact OE2-ND2 2.88Å
136L97.9Very high98.2Very high7 Ų742.4 Ų42.44%0.03720%0.198CC..THydrogen-bonded Turntrans-57.9-38.5-169.1-176.566.4000112.1I117 T118 Q119 T134 G138 L214 F247I117-L136 HydrophobicContact CG2-CB 4.1Å; T118-L136 VanDerWaalsContact O-CB 3.3Å; T118-L136 WeakPolarHBondContact O-CB 3.38Å; T118-L136 PolarHBondContact O-N 3.13Å; Q119-L136 HydrophobicContact CG-CD2 4.22Å; T134-L136 PolarHBondContact O-N 3.39Å; L136-G138 VanDerWaalsContact C-N 3.33Å; L136-L214 HydrophobicContact CD1-CD2 4.43Å; L136-L214 HydrophobicContact CG-CD2 4.32Å; L136-L214 WeakPolarHBondContact O-CD2 3.42Å; L136-F247 HydrophobicContact CD1-CE2 3.92Å; L136-F247 HydrophobicContact CD1-CZ 4.17Å; L136-F247 HydrophobicContact CD2-CE2 3.83Å
137H97Very high98.2Very high32 Ų3243.8 Ų43.815%0.14821%0.208CC..THydrogen-bonded Turntrans-97.117178.6-61.3160.5000112.6Q119 I121 E135 I207 V208 S243Q119-H137 PolarHBondContact O-ND1 2.91Å; Q119-H137 VanDerWaalsContact O-ND1 3.14Å; I121-H137 HydrophobicContact CG2-CB 3.88Å; E135-H137 VanDerWaalsContact C-N 3.25Å; E135-H137 PolarHBondContact O-N 2.82Å; H137-I207 CarbonylContact O-C 3.52Å; H137-I207 WeakPolarHBondContact O-CA 3.47Å; H137-V208 PolarHBondContact O-N 2.86Å; H137-S243 PolarHBondContact NE2-OG 3.01Å
138G97Very high98.1Very high16 Ų1642.8 Ų42.817%0.16521%0.209CC..EExtended strand (participates in β ladder)trans70.4-156.3-175.200000112.5I121 E135 L136 E206I121-G138 WeakPolarHBondContact CG2-O 3.5Å; E135-G138 WeakPolarHBondContact O-CA 3.35Å; E135-G138 PolarHBondContact O-N 3.39Å; L136-G138 VanDerWaalsContact C-N 3.33Å; G138-E206 CarbonylContact C-O 3.58Å; G138-E206 WeakPolarHBondContact CA-O 3.38Å
139N97.2Very high98.1Very high25 Ų2545.3 Ų45.313%0.13423%0.225CC..EExtended strand (participates in β ladder)trans-147.9157179.769.166000113.7C123 E135 Y141 S142 E206C123-N139 VanDerWaalsContact SG-CB 3.54Å; E135-N139 PolarHBondContact OE2-ND2 2.88Å; N139-Y141 VanDerWaalsContact C-N 3.26Å; N139-Y141 PolarHBondContact O-N 3.08Å; N139-Y141 PolarHBondContact OD1-N 2.7Å; N139-S142 PolarHBondContact OD1-N 3.03Å; N139-E206 PolarHBondContact N-O 3.47Å; N139-E206 CarbonylContact O-C 3.5Å
140A97.1Very high98.1Very high8 Ų847.2 Ų47.27%0.06623%0.225CC..EExtended strand (participates in β ladder)trans-77.3-6.418000000114.3W89 F92 I121 R154 I207W89-A140 HydrophobicContact CZ3-CB 4.1Å; F92-A140 HydrophobicContact CD1-CB 4.41Å; F92-A140 HydrophobicContact CE1-CB 3.82Å; I121-A140 PolarHBondContact O-N 3.29Å; A140-R154 WeakPolarHBondContact O-CB 3.42Å; A140-R154 VanDerWaalsContact O-CG 3.24Å; A140-R154 WeakPolarHBondContact O-CG 3.19Å; A140-I207 HydrophobicContact CB-CD1 3.9Å; A140-I207 HydrophobicContact CB-CG1 4.45Å
141Y98.2Very high98.1Very high26 Ų2653.4 Ų53.410%0.10225%0.248CC..EExtended strand (participates in β ladder)trans-92.6-2.7-169.4-72.4-109.4000113.3W89 F92 S93 D122 C123 K127 N139 R154 H155W89-Y141 AromaticContact CH2-CD1 3.57Å; W89-Y141 HydrophobicContact CH2-CD1 3.57Å; W89-Y141 AromaticContact CH2-CD2 3.96Å; W89-Y141 HydrophobicContact CH2-CD2 3.96Å; W89-Y141 AromaticContact CH2-CE1 3.68Å; W89-Y141 HydrophobicContact CH2-CE1 3.68Å; W89-Y141 HydrophobicContact CH2-CE2 4.05Å; W89-Y141 AromaticContact CH2-CG 3.72Å; W89-Y141 HydrophobicContact CH2-CG 3.72Å; W89-Y141 AromaticContact CH2-CZ 3.93Å; W89-Y141 HydrophobicContact CZ2-CD1 4.2Å; W89-Y141 HydrophobicContact CZ2-CE1 4.29Å; W89-Y141 HydrophobicContact CZ3-CD2 4.3Å; W89-Y141 HydrophobicContact CZ3-CE2 4.22Å; W89-Y141 HydrophobicContact CZ3-CG 4.48Å; F92-Y141 HydrophobicContact CE1-CE2 4.42Å; S93-Y141 WeakPolarHBondContact CA-OH 3.22Å; S93-Y141 PolarHBondContact O-OH 3.27Å; D122-Y141 VanDerWaalsContact O-CE2 3.28Å; D122-Y141 WeakPolarHBondContact O-CE2 3.12Å; D122-Y141 PolarHBondContact O-OH 3.15Å; C123-Y141 HydrophobicContact CB-CD2 3.69Å; C123-Y141 HydrophobicContact CB-CE2 3.61Å; C123-Y141 HydrophobicContact CB-CG 4.27Å; C123-Y141 WeakPolarHBondContact SG-CD2 3.46Å; K127-Y141 VanDerWaalsContact CE-OH 3.25Å; K127-Y141 WeakPolarHBondContact CE-OH 3.33Å; K127-Y141 PolarHBondContact NZ-OH 2.8Å; N139-Y141 VanDerWaalsContact C-N 3.26Å; N139-Y141 PolarHBondContact O-N 3.08Å; N139-Y141 PolarHBondContact OD1-N 2.7Å; Y141-R154 VanDerWaalsContact C-CB 3.49Å; Y141-R154 WeakPolarHBondContact O-CB 3.5Å; Y141-R154 PolarHBondContact O-N 2.94Å; Y141-H155 AromaticContact CD1-NE2 3.82Å; Y141-H155 AromaticContact CE1-NE2 3.8Å
142S98.2Very high98.1Very high20 Ų2046 Ų4614%0.1422%0.22CC..EExtended strand (participates in β ladder)trans-126.1144174-176.50000110.9N139 W152 P205 E206N139-S142 PolarHBondContact OD1-N 3.03Å; S142-W152 WeakPolarHBondContact CA-O 3.31Å; S142-P205 CarbonylContact O-C 3.59Å; S142-P205 WeakPolarHBondContact O-CA 3.25Å; S142-E206 VanDerWaalsContact CB-OE2 3.23Å; S142-E206 WeakPolarHBondContact CB-OE2 3.43Å; S142-E206 PolarHBondContact O-N 3.15Å; S142-E206 PolarHBondContact OG-OE2 2.86Å
143V98.7Very high98.1Very high0 Ų044.6 Ų44.60%022%0.22CC..EExtended strand (participates in β ladder)trans-121.7134.8175.6-177.60000109.1W82 R151 W152 R154 F157W82-V143 HydrophobicContact CH2-CB 4.47Å; W82-V143 HydrophobicContact CH2-CG1 3.76Å; W82-V143 HydrophobicContact CH2-CG2 3.83Å; W82-V143 HydrophobicContact CZ2-CG1 4.05Å; V143-R151 CarbonylContact O-C 3.26Å; V143-R151 WeakPolarHBondContact O-CA 3.33Å; V143-W152 PolarHBondContact N-O 3.23Å; V143-W152 PolarHBondContact O-N 3.37Å; V143-R154 HydrophobicContact CG2-CB 4.38Å; V143-R154 VanDerWaalsContact CG2-CD 3.49Å; V143-F157 HydrophobicContact CB-CB 4.43Å; V143-F157 HydrophobicContact CB-CD1 4.16Å; V143-F157 HydrophobicContact CB-CD2 4.41Å; V143-F157 HydrophobicContact CB-CG 4.08Å; V143-F157 HydrophobicContact CG1-CD1 3.89Å; V143-F157 HydrophobicContact CG1-CD2 4.26Å; V143-F157 HydrophobicContact CG1-CE1 3.8Å; V143-F157 HydrophobicContact CG1-CE2 4.19Å; V143-F157 HydrophobicContact CG1-CG 4.12Å; V143-F157 HydrophobicContact CG1-CZ 3.97Å; V143-F157 HydrophobicContact CG2-CB 4.06Å; V143-F157 HydrophobicContact CG2-CD1 3.82Å; V143-F157 HydrophobicContact CG2-CG 3.98Å
144R98.4Very high98.1Very high69 Ų6944 Ų4426%0.2622%0.217SC..EExtended strand (participates in β ladder)trans-122.5140.6179.8-179.6-174.3-64.2-12331.5111.6Q150 R151 T203 K204 E206R144-Q150 CarbonylContact C-O 3.56Å; R144-Q150 WeakPolarHBondContact CA-O 3.46Å; R144-R151 HydrophobicContact CB-CG 4.38Å; R144-R151 HydrophobicContact CG-CG 4.4Å; R144-R151 VanDerWaalsContact CZ-NE 3.28Å; R144-R151 VanDerWaalsContact NH2-CZ 3.32Å; R144-T203 WeakPolarHBondContact O-CA 3.36Å; R144-K204 PolarHBondContact N-O 3.21Å; R144-K204 PolarHBondContact O-N 2.91Å; R144-E206 HydrophobicContact CB-CG 3.9Å; R144-E206 IonicContact CZ-OE1 3.08Å; R144-E206 IonicContact NE-OE1 2.71Å; R144-E206 PolarHBondContact NE-OE1 2.85Å; R144-E206 IonicContact NH2-OE1 3.88Å; R144-E206 PolarHBondContact NH2-OE1 2.97Å
145C98.8Very high98.1Very high0 Ų047.2 Ų47.20%023%0.231CC..EExtended strand (participates in β ladder)trans-77.5124.8163.6179.80000111.2K147 C148 S149 Q150 W152 C196 I202C145-K147 PolarHBondContact O-N 3.46Å; C145-K147 PolarHBondContact SG-N 2.99Å; C145-K147 VanDerWaalsContact SG-N 3.38Å; C145-C148 VanDerWaalsContact SG-SG 3.63Å; C145-S149 VanDerWaalsContact O-CA 3.26Å; C145-S149 WeakPolarHBondContact O-CA 3.41Å; C145-S149 PolarHBondContact O-N 3.09Å; C145-Q150 PolarHBondContact N-O 3.14Å; C145-W152 HydrophobicContact CB-CH2 4.11Å; C145-W152 HydrophobicContact CB-CZ3 4Å; C145-C196 HydrophobicContact CB-CB 3.96Å; C145-C196 WeakPolarHBondContact SG-CB 3.38Å; C145-I202 WeakPolarHBondContact CA-O 3.31Å
146M98Very high98.1Very high68 Ų6850.5 Ų50.534%0.33525%0.249SC..THydrogen-bonded Turntrans-74.6-2.8-179.8-56-53.3-67.400113.8F68 M72 I202 K204F68-M146 HydrophobicContact CE2-CE 4.27Å; F68-M146 HydrophobicContact CZ-CE 4.46Å; M72-M146 HydrophobicContact CE-CB 3.87Å; M72-M146 HydrophobicContact CE-CG 4.04Å; M72-M146 HydrophobicContact SD-CG 4.07Å; M146-I202 HydrophobicContact CG-CG2 4.29Å; M146-I202 PolarHBondContact N-O 3.33Å; M146-K204 HydrophobicContact CG-CB 4.05Å; M146-K204 HydrophobicContact SD-CB 3.85Å; M146-K204 HydrophobicContact SD-CD 4.46Å
147K98.3Very high98.1Very high154 Ų15450.3 Ų50.367%0.6725%0.248SC*.THydrogen-bonded Turntrans-107.2-53.4177.9-177.3177.7177.8-178.40112.9C145C145-K147 PolarHBondContact O-N 3.46Å; C145-K147 PolarHBondContact SG-N 2.99Å; C145-K147 VanDerWaalsContact SG-N 3.38Å
148C98.4Very high98.2Very high48 Ų4849.8 Ų49.832%0.32425%0.245SC..THydrogen-bonded Turntrans-106.74.3-175.669.70000114.1C145 Q150 C199C145-C148 VanDerWaalsContact SG-SG 3.63Å; C148-Q150 PolarHBondContact O-N 3.42Å; C148-C199 HydrophobicContact CB-CB 4.49Å
149S97.6Very high98.2Very high73 Ų7354.6 Ų54.651%0.5126%0.262SS..  trans60.86.7177.6-60.40000116.2C145 R151C145-S149 VanDerWaalsContact O-CA 3.26Å; C145-S149 WeakPolarHBondContact O-CA 3.41Å; C145-S149 PolarHBondContact O-N 3.09Å; S149-R151 PolarHBondContact O-N 2.92Å
150Q98.3Very high98.3Very high74 Ų7456 Ų5635%0.34627%0.265SS..  trans-57.4137.6172.4-170.967.74100109.7R144 C145 C148 W152R144-Q150 CarbonylContact C-O 3.56Å; R144-Q150 WeakPolarHBondContact CA-O 3.46Å; C145-Q150 PolarHBondContact N-O 3.14Å; C148-Q150 PolarHBondContact O-N 3.42Å; Q150-W152 HydrophobicContact CB-CH2 3.61Å; Q150-W152 HydrophobicContact CB-CZ2 3.93Å; Q150-W152 HydrophobicContact CB-CZ3 4.14Å; Q150-W152 HydrophobicContact CG-CD2 4.44Å; Q150-W152 HydrophobicContact CG-CH2 3.57Å; Q150-W152 HydrophobicContact CG-CZ2 3.33Å; Q150-W152 HydrophobicContact CG-CZ3 4.23Å; Q150-W152 VanDerWaalsContact O-CZ3 3.3Å; Q150-W152 WeakPolarHBondContact O-CZ3 3.43Å
151R98.6Very high98.4Very high136 Ų13655.6 Ų55.651%0.51326%0.262SS..EExtended strand (participates in β ladder)trans-114.8153.3177.6-63.9-174.1-178.1122-12.1111.6V143 R144 S149 E206V143-R151 CarbonylContact O-C 3.26Å; V143-R151 WeakPolarHBondContact O-CA 3.33Å; R144-R151 HydrophobicContact CB-CG 4.38Å; R144-R151 HydrophobicContact CG-CG 4.4Å; R144-R151 VanDerWaalsContact CZ-NE 3.28Å; R144-R151 VanDerWaalsContact NH2-CZ 3.32Å; S149-R151 PolarHBondContact O-N 2.92Å; R151-E206 WeakPolarHBondContact CD-OE2 3.32Å; R151-E206 IonicContact CZ-OE1 2.65Å; R151-E206 IonicContact NE-OE1 2.78Å; R151-E206 PolarHBondContact NE-OE1 2.81Å; R151-E206 VanDerWaalsContact NE-OE1 3.13Å; R151-E206 IonicContact NE-OE2 2.82Å; R151-E206 PolarHBondContact NE-OE2 2.99Å; R151-E206 IonicContact NH2-OE1 2.84Å
152W98.6Very high98.4Very high59 Ų5959.4 Ų59.422%0.22328%0.281CS..EExtended strand (participates in β ladder)trans-138.2147.1172.8-60.3-90.3000110.1S142 V143 C145 Q150 F157 C196 P197 T203S142-W152 WeakPolarHBondContact CA-O 3.31Å; V143-W152 PolarHBondContact N-O 3.23Å; V143-W152 PolarHBondContact O-N 3.37Å; C145-W152 HydrophobicContact CB-CH2 4.11Å; C145-W152 HydrophobicContact CB-CZ3 4Å; Q150-W152 HydrophobicContact CB-CH2 3.61Å; Q150-W152 HydrophobicContact CB-CZ2 3.93Å; Q150-W152 HydrophobicContact CB-CZ3 4.14Å; Q150-W152 HydrophobicContact CG-CD2 4.44Å; Q150-W152 HydrophobicContact CG-CH2 3.57Å; Q150-W152 HydrophobicContact CG-CZ2 3.33Å; Q150-W152 HydrophobicContact CG-CZ3 4.23Å; Q150-W152 VanDerWaalsContact O-CZ3 3.3Å; Q150-W152 WeakPolarHBondContact O-CZ3 3.43Å; W152-F157 HydrophobicContact CB-CB 4.18Å; W152-F157 HydrophobicContact CB-CD2 4Å; W152-F157 HydrophobicContact CB-CG 4.49Å; W152-F157 AromaticContact CD2-CD2 3.99Å; W152-F157 HydrophobicContact CD2-CD2 3.99Å; W152-F157 HydrophobicContact CD2-CE2 4.22Å; W152-F157 HydrophobicContact CE3-CD2 4.09Å; W152-F157 HydrophobicContact CE3-CE2 4.03Å; W152-F157 AromaticContact CG-CD2 3.96Å; W152-F157 HydrophobicContact CG-CD2 3.96Å; W152-F157 HydrophobicContact CZ3-CE2 4.45Å; W152-C196 HydrophobicContact CH2-CB 4.44Å; W152-P197 HydrophobicContact CH2-CG 4.39Å; W152-P197 HydrophobicContact CZ2-CG 3.71Å; W152-T203 HydrophobicContact CZ3-CG2 4.34Å
153D98.5Very high98.4Very high74 Ų7465.1 Ų65.140%0.39631%0.305SS..EExtended strand (participates in β ladder)trans-62.4137.6162.2-178.9-82.8000109.6H155 D156 F157D153-H155 VanDerWaalsContact C-N 3.28Å; D153-H155 PolarHBondContact O-N 3.24Å; D153-H155 WeakPolarHBondContact OD1-CA 3.44Å; D153-H155 WeakPolarHBondContact OD1-CB 3.2Å; D153-H155 IonicContact OD1-CD2 3.76Å; D153-H155 PolarHBondContact OD1-CD2 3.17Å; D153-H155 IonicContact OD1-CG 3.6Å; D153-H155 PolarHBondContact OD1-N 3.28Å; D153-D156 PolarHBondContact O-N 3.2Å; D153-F157 WeakPolarHBondContact O-CB 3.45Å; D153-F157 PolarHBondContact O-N 3.5Å
154R98.4Very high98.3Very high2 Ų268 Ų681%0.00832%0.321CS..Hα-helixtrans-64.7-30.4-176.3-17968.5-17793.40.8112.6S85 W89 A140 Y141 V143 F157 Q158 I161S85-R154 PolarHBondContact OG-NH2 2.79Å; W89-R154 HydrophobicContact CD2-CG 3.68Å; W89-R154 VanDerWaalsContact CE2-CG 3.45Å; W89-R154 HydrophobicContact CE3-CG 3.78Å; W89-R154 HydrophobicContact CG-CG 4.5Å; W89-R154 HydrophobicContact CH2-CB 3.71Å; W89-R154 HydrophobicContact CH2-CG 3.45Å; W89-R154 VanDerWaalsContact CH2-CG 3.45Å; W89-R154 HydrophobicContact CZ2-CB 3.61Å; W89-R154 HydrophobicContact CZ2-CG 3.34Å; W89-R154 HydrophobicContact CZ3-CB 4.36Å; W89-R154 HydrophobicContact CZ3-CG 3.67Å; A140-R154 WeakPolarHBondContact O-CB 3.42Å; A140-R154 VanDerWaalsContact O-CG 3.24Å; A140-R154 WeakPolarHBondContact O-CG 3.19Å; Y141-R154 VanDerWaalsContact C-CB 3.49Å; Y141-R154 WeakPolarHBondContact O-CB 3.5Å; Y141-R154 PolarHBondContact O-N 2.94Å; V143-R154 HydrophobicContact CG2-CB 4.38Å; V143-R154 VanDerWaalsContact CG2-CD 3.49Å; R154-F157 PolarHBondContact O-N 3.07Å; R154-Q158 WeakPolarHBondContact O-CB 3.28Å; R154-Q158 PolarHBondContact O-N 2.94Å; R154-I161 VanDerWaalsContact NH1-CD1 3.34Å
155H98.4Very high98.3Very high80 Ų8065 Ų6537%0.3731%0.31SS..Hα-helixtrans-67.2-40.2176.2-63.3-83.6000111.7W89 Y141 D153 Q158W89-H155 AromaticContact CZ2-CD2 3.92Å; W89-H155 AromaticContact CZ2-CE1 3.6Å; W89-H155 AromaticContact CZ2-CG 3.97Å; W89-H155 AromaticContact CZ2-ND1 3.77Å; W89-H155 AromaticContact CZ2-NE2 3.68Å; W89-H155 AromaticContact NE1-ND1 3.72Å; Y141-H155 AromaticContact CD1-NE2 3.82Å; Y141-H155 AromaticContact CE1-NE2 3.8Å; D153-H155 VanDerWaalsContact C-N 3.28Å; D153-H155 PolarHBondContact O-N 3.24Å; D153-H155 WeakPolarHBondContact OD1-CA 3.44Å; D153-H155 WeakPolarHBondContact OD1-CB 3.2Å; D153-H155 IonicContact OD1-CD2 3.76Å; D153-H155 PolarHBondContact OD1-CD2 3.17Å; D153-H155 IonicContact OD1-CG 3.6Å; D153-H155 PolarHBondContact OD1-N 3.28Å; H155-Q158 WeakPolarHBondContact O-CB 3.13Å; H155-Q158 PolarHBondContact O-N 2.96Å
156D98.4Very high98.1Very high90 Ų9070.2 Ų70.248%0.48134%0.341SS..Hα-helixtrans-72.8-40.2174.6-71.7-32.1000111.3D153 Q158 K159 Y160D153-D156 PolarHBondContact O-N 3.2Å; D156-Q158 PolarHBondContact O-N 3.31Å; D156-K159 WeakPolarHBondContact O-CB 3.45Å; D156-K159 PolarHBondContact O-N 3.3Å; D156-K159 VanDerWaalsContact O-N 3.1Å; D156-K159 IonicContact OD1-NZ 2.84Å; D156-K159 PolarHBondContact OD1-NZ 3.43Å; D156-Y160 PolarHBondContact O-N 3.36Å
157F98.5Very high97.9Very high3 Ų375 Ų751%0.01337%0.368CS..Hα-helixtrans-63.1-31174.8-158-101.1000112W82 V143 W152 D153 R154 K159 Y160 I161 P194 T203W82-F157 HydrophobicContact CH2-CD1 4.02Å; W82-F157 AromaticContact CH2-CE1 3.76Å; W82-F157 HydrophobicContact CH2-CE1 3.76Å; W82-F157 HydrophobicContact CZ2-CE1 4.13Å; W82-F157 HydrophobicContact CZ3-CD1 4.17Å; W82-F157 HydrophobicContact CZ3-CE1 4.11Å; V143-F157 HydrophobicContact CB-CB 4.43Å; V143-F157 HydrophobicContact CB-CD1 4.16Å; V143-F157 HydrophobicContact CB-CD2 4.41Å; V143-F157 HydrophobicContact CB-CG 4.08Å; V143-F157 HydrophobicContact CG1-CD1 3.89Å; V143-F157 HydrophobicContact CG1-CD2 4.26Å; V143-F157 HydrophobicContact CG1-CE1 3.8Å; V143-F157 HydrophobicContact CG1-CE2 4.19Å; V143-F157 HydrophobicContact CG1-CG 4.12Å; V143-F157 HydrophobicContact CG1-CZ 3.97Å; V143-F157 HydrophobicContact CG2-CB 4.06Å; V143-F157 HydrophobicContact CG2-CD1 3.82Å; V143-F157 HydrophobicContact CG2-CG 3.98Å; W152-F157 HydrophobicContact CB-CB 4.18Å; W152-F157 HydrophobicContact CB-CD2 4Å; W152-F157 HydrophobicContact CB-CG 4.49Å; W152-F157 AromaticContact CD2-CD2 3.99Å; W152-F157 HydrophobicContact CD2-CD2 3.99Å; W152-F157 HydrophobicContact CD2-CE2 4.22Å; W152-F157 HydrophobicContact CE3-CD2 4.09Å; W152-F157 HydrophobicContact CE3-CE2 4.03Å; W152-F157 AromaticContact CG-CD2 3.96Å; W152-F157 HydrophobicContact CG-CD2 3.96Å; W152-F157 HydrophobicContact CZ3-CE2 4.45Å; D153-F157 WeakPolarHBondContact O-CB 3.45Å; D153-F157 PolarHBondContact O-N 3.5Å; R154-F157 PolarHBondContact O-N 3.07Å; F157-K159 VanDerWaalsContact C-N 3.3Å; F157-K159 PolarHBondContact O-N 3.2Å; F157-Y160 HydrophobicContact CD2-CD1 4.05Å; F157-Y160 HydrophobicContact CE1-CD1 4.37Å; F157-Y160 AromaticContact CE2-CD1 3.62Å; F157-Y160 HydrophobicContact CE2-CD1 3.62Å; F157-Y160 AromaticContact CE2-CE1 3.95Å; F157-Y160 HydrophobicContact CE2-CE1 3.95Å; F157-Y160 AromaticContact CZ-CD1 3.8Å; F157-Y160 HydrophobicContact CZ-CD1 3.8Å; F157-Y160 AromaticContact CZ-CE1 3.94Å; F157-Y160 HydrophobicContact CZ-CE1 3.94Å; F157-Y160 WeakPolarHBondContact O-CB 3.49Å; F157-Y160 PolarHBondContact O-N 3.26Å; F157-I161 HydrophobicContact CD1-CD1 3.8Å; F157-I161 HydrophobicContact CD1-CG1 3.94Å; F157-I161 HydrophobicContact CE1-CD1 4.01Å; F157-I161 HydrophobicContact CE1-CG1 3.96Å; F157-I161 VanDerWaalsContact O-CG1 3.31Å; F157-I161 WeakPolarHBondContact O-CG1 3.25Å; F157-I161 PolarHBondContact O-N 3Å; F157-P194 HydrophobicContact CE1-CB 3.78Å; F157-P194 HydrophobicContact CE1-CG 3.87Å; F157-P194 HydrophobicContact CZ-CB 3.88Å; F157-P194 HydrophobicContact CZ-CG 4.34Å; F157-T203 HydrophobicContact CE2-CG2 4.24Å; F157-T203 HydrophobicContact CZ-CG2 3.81Å
158Q98.1Very high97.8Very high21 Ų2168.9 Ų68.910%0.09834%0.341CS..Hα-helixtrans-60.5-38.2173.7-176.971.8-0.700112.4Y86 R154 H155 D156 I161 Q162Y86-Q158 VanDerWaalsContact CD2-CD 3.46Å; Y86-Q158 PolarHBondContact O-NE2 2.97Å; R154-Q158 WeakPolarHBondContact O-CB 3.28Å; R154-Q158 PolarHBondContact O-N 2.94Å; H155-Q158 WeakPolarHBondContact O-CB 3.13Å; H155-Q158 PolarHBondContact O-N 2.96Å; D156-Q158 PolarHBondContact O-N 3.31Å; Q158-I161 PolarHBondContact O-N 3.18Å; Q158-Q162 PolarHBondContact O-N 3.48Å
159K98.3Very high97.4Very high116 Ų11673 Ų7350%0.50436%0.36SS..Hα-helixtrans-64.9-43.7176.4-59.2167.2-170.6159.10110.4D156 F157 I161 Q162 E163D156-K159 WeakPolarHBondContact O-CB 3.45Å; D156-K159 PolarHBondContact O-N 3.3Å; D156-K159 VanDerWaalsContact O-N 3.1Å; D156-K159 IonicContact OD1-NZ 2.84Å; D156-K159 PolarHBondContact OD1-NZ 3.43Å; F157-K159 VanDerWaalsContact C-N 3.3Å; F157-K159 PolarHBondContact O-N 3.2Å; K159-I161 PolarHBondContact O-N 2.92Å; K159-Q162 WeakPolarHBondContact O-CB 3.41Å; K159-Q162 PolarHBondContact O-N 3.4Å; K159-Q162 VanDerWaalsContact O-N 3.14Å; K159-E163 WeakPolarHBondContact O-CG 3.32Å; K159-E163 PolarHBondContact O-N 2.89Å
160Y98.6Very high97.2Very high54 Ų5470.2 Ų70.221%0.21234%0.341CS..Hα-helixtrans-59.7-44.3173.8169.7-116.7000112.3D156 F157 Q162 E163 L164 P194 N195 P197D156-Y160 PolarHBondContact O-N 3.36Å; F157-Y160 HydrophobicContact CD2-CD1 4.05Å; F157-Y160 HydrophobicContact CE1-CD1 4.37Å; F157-Y160 AromaticContact CE2-CD1 3.62Å; F157-Y160 HydrophobicContact CE2-CD1 3.62Å; F157-Y160 AromaticContact CE2-CE1 3.95Å; F157-Y160 HydrophobicContact CE2-CE1 3.95Å; F157-Y160 AromaticContact CZ-CD1 3.8Å; F157-Y160 HydrophobicContact CZ-CD1 3.8Å; F157-Y160 AromaticContact CZ-CE1 3.94Å; F157-Y160 HydrophobicContact CZ-CE1 3.94Å; F157-Y160 WeakPolarHBondContact O-CB 3.49Å; F157-Y160 PolarHBondContact O-N 3.26Å; Y160-Q162 VanDerWaalsContact C-N 3.28Å; Y160-Q162 PolarHBondContact O-N 2.99Å; Y160-E163 PolarHBondContact O-N 3.5Å; Y160-L164 HydrophobicContact CD1-CD1 4.45Å; Y160-L164 HydrophobicContact CD2-CG 4.47Å; Y160-L164 HydrophobicContact CE1-CD1 3.85Å; Y160-L164 HydrophobicContact CE2-CD1 3.98Å; Y160-L164 HydrophobicContact CE2-CD2 4.2Å; Y160-L164 HydrophobicContact CE2-CG 4.05Å; Y160-L164 PolarHBondContact O-N 2.91Å; Y160-P194 HydrophobicContact CD1-CB 4.35Å; Y160-P194 HydrophobicContact CE1-CB 4Å; Y160-N195 WeakPolarHBondContact CE1-O 3.37Å; Y160-N195 PolarHBondContact OH-O 3.16Å; Y160-P197 HydrophobicContact CE1-CG 4.44Å; Y160-P197 HydrophobicContact CE2-CB 4.14Å
161I98.5Very high96.7Very high0 Ų075.2 Ų75.20%036%0.362CS..Hα-helixtrans-59.5-41.6174.9-63.2173.5000111.1W82 Y86 R154 F157 Q158 K159 L164 N165 F191 P194W82-I161 HydrophobicContact CE3-CD1 3.63Å; W82-I161 HydrophobicContact CZ3-CD1 3.72Å; Y86-I161 HydrophobicContact CD2-CB 3.93Å; Y86-I161 HydrophobicContact CD2-CG2 3.31Å; Y86-I161 HydrophobicContact CE2-CB 4.31Å; Y86-I161 HydrophobicContact CE2-CG2 3.89Å; Y86-I161 HydrophobicContact CG-CG2 3.91Å; R154-I161 VanDerWaalsContact NH1-CD1 3.34Å; F157-I161 HydrophobicContact CD1-CD1 3.8Å; F157-I161 HydrophobicContact CD1-CG1 3.94Å; F157-I161 HydrophobicContact CE1-CD1 4.01Å; F157-I161 HydrophobicContact CE1-CG1 3.96Å; F157-I161 VanDerWaalsContact O-CG1 3.31Å; F157-I161 WeakPolarHBondContact O-CG1 3.25Å; F157-I161 PolarHBondContact O-N 3Å; Q158-I161 PolarHBondContact O-N 3.18Å; K159-I161 PolarHBondContact O-N 2.92Å; I161-L164 PolarHBondContact O-N 3.11Å; I161-N165 WeakPolarHBondContact O-CB 3Å; I161-N165 PolarHBondContact O-N 3.35Å; I161-N165 PolarHBondContact O-ND2 3.36Å; I161-F191 HydrophobicContact CG2-CE1 4.34Å; I161-F191 HydrophobicContact CG2-CE2 4.15Å; I161-F191 HydrophobicContact CG2-CZ 3.45Å; I161-F191 VanDerWaalsContact CG2-CZ 3.45Å; I161-P194 HydrophobicContact CD1-CB 4.5Å; I161-P194 HydrophobicContact CD1-CG 4.08Å; I161-P194 HydrophobicContact CG1-CB 3.74Å; I161-P194 HydrophobicContact CG1-CG 3.84Å
162Q98.2Very high96Very high107 Ų10770 Ų7050%0.535%0.351SS..Hα-helixtrans-63-40.7178.1-178.7177-2.900112Y86 Q158 K159 Y160 L164 N165 V166Y86-Q162 HydrophobicContact CE2-CB 4.11Å; Q158-Q162 PolarHBondContact O-N 3.48Å; K159-Q162 WeakPolarHBondContact O-CB 3.41Å; K159-Q162 PolarHBondContact O-N 3.4Å; K159-Q162 VanDerWaalsContact O-N 3.14Å; Y160-Q162 VanDerWaalsContact C-N 3.28Å; Y160-Q162 PolarHBondContact O-N 2.99Å; Q162-L164 VanDerWaalsContact C-N 3.29Å; Q162-L164 PolarHBondContact O-N 3.33Å; Q162-N165 CarbonylContact O-C 3.36Å; Q162-N165 VanDerWaalsContact O-C 3.26Å; Q162-N165 PolarHBondContact O-N 2.71Å; Q162-V166 PolarHBondContact O-N 3.44Å; Q162-V166 VanDerWaalsContact O-N 3.07Å
163E98Very high95.1Very high139 Ų13971.4 Ų71.465%0.6538%0.375SS*.Hα-helixtrans-62.8-34175.5-70.9170.2-175.700112.7K159 Y160 N165 V166K159-E163 WeakPolarHBondContact O-CG 3.32Å; K159-E163 PolarHBondContact O-N 2.89Å; Y160-E163 PolarHBondContact O-N 3.5Å; E163-N165 PolarHBondContact O-N 2.92Å; E163-V166 WeakPolarHBondContact O-CG2 3.45Å
164L98Very high94.4Very high61 Ų6170.2 Ų70.232%0.31937%0.368SS..Hα-helixtrans-74.1-15.9173.9-65.3178.7000113.6Y160 I161 Q162 T192 P194Y160-L164 HydrophobicContact CD1-CD1 4.45Å; Y160-L164 HydrophobicContact CD2-CG 4.47Å; Y160-L164 HydrophobicContact CE1-CD1 3.85Å; Y160-L164 HydrophobicContact CE2-CD1 3.98Å; Y160-L164 HydrophobicContact CE2-CD2 4.2Å; Y160-L164 HydrophobicContact CE2-CG 4.05Å; Y160-L164 PolarHBondContact O-N 2.91Å; I161-L164 PolarHBondContact O-N 3.11Å; Q162-L164 VanDerWaalsContact C-N 3.29Å; Q162-L164 PolarHBondContact O-N 3.33Å; L164-T192 HydrophobicContact CB-CG2 4.1Å; L164-T192 PolarHBondContact O-OG1 3.46Å; L164-P194 HydrophobicContact CD1-CB 4.03Å
165N98Very high94.1Very high7 Ų771 Ų714%0.03737%0.374CS..THydrogen-bonded Turntrans-132.532-167-72.6-76.2000112.3I161 Q162 E163 N167 W168 F191 T192I161-N165 WeakPolarHBondContact O-CB 3Å; I161-N165 PolarHBondContact O-N 3.35Å; I161-N165 PolarHBondContact O-ND2 3.36Å; Q162-N165 CarbonylContact O-C 3.36Å; Q162-N165 VanDerWaalsContact O-C 3.26Å; Q162-N165 PolarHBondContact O-N 2.71Å; E163-N165 PolarHBondContact O-N 2.92Å; N165-N167 PolarHBondContact O-N 2.89Å; N165-N167 VanDerWaalsContact O-N 3.12Å; N165-W168 HydrophobicContact CB-CB 3.95Å; N165-W168 WeakPolarHBondContact O-CB 3.46Å; N165-W168 PolarHBondContact O-N 3.35Å; N165-F191 HydrophobicContact CB-CE2 4.3Å; N165-F191 WeakPolarHBondContact OD1-CD2 2.93Å; N165-T192 PolarHBondContact ND2-O 3.42Å; N165-T192 WeakPolarHBondContact OD1-CB 3.43Å; N165-T192 PolarHBondContact OD1-N 3.21Å
166V95.4Very high93.8Very high109 Ų10967.2 Ų67.266%0.66136%0.356SS*.THydrogen-bonded Turntrans-53.7-37.4-173.2175.80000113.6Q162 E163Q162-V166 PolarHBondContact O-N 3.44Å; Q162-V166 VanDerWaalsContact O-N 3.07Å; E163-V166 WeakPolarHBondContact O-CG2 3.45Å
167N93.1Very high93.4Very high168 Ų16863.3 Ų63.390%0.89834%0.336SS*.THydrogen-bonded Turntrans-96.76.6-178.9-61.9-36.4000113.2N165N165-N167 PolarHBondContact O-N 2.89Å; N165-N167 VanDerWaalsContact O-N 3.12Å
168W95.2Very high93.1Very high25 Ų2564.3 Ų64.310%0.09534%0.341CS..  trans-99.1135.1-179-171.598.9000110.2A83 Y86 V87 N165 A170 L183 A187 S190 F191A83-W168 HydrophobicContact CB-CH2 4.35Å; A83-W168 HydrophobicContact CB-CZ2 4.13Å; Y86-W168 HydrophobicContact CD1-CE3 4.13Å; Y86-W168 AromaticContact CD1-CZ3 3.66Å; Y86-W168 HydrophobicContact CD1-CZ3 3.66Å; Y86-W168 HydrophobicContact CE1-CE3 4.02Å; Y86-W168 AromaticContact CE1-CZ3 3.91Å; Y86-W168 HydrophobicContact CE1-CZ3 3.91Å; V87-W168 HydrophobicContact CG2-CH2 3.52Å; V87-W168 HydrophobicContact CG2-CZ3 3.53Å; N165-W168 HydrophobicContact CB-CB 3.95Å; N165-W168 WeakPolarHBondContact O-CB 3.46Å; N165-W168 PolarHBondContact O-N 3.35Å; W168-A170 HydrophobicContact CH2-CB 3.42Å; W168-A170 VanDerWaalsContact CH2-CB 3.42Å; W168-A170 HydrophobicContact CZ2-CB 3.69Å; W168-A170 HydrophobicContact CZ3-CB 3.97Å; W168-L183 HydrophobicContact CH2-CD1 3.93Å; W168-L183 HydrophobicContact CZ2-CD1 4.32Å; W168-A187 HydrophobicContact CZ2-CB 4.24Å; W168-A187 WeakPolarHBondContact CZ2-O 3.35Å; W168-A187 PolarHBondContact NE1-O 3.16Å; W168-S190 PolarHBondContact NE1-OG 2.76Å; W168-F191 AromaticContact CD2-CD2 3.67Å; W168-F191 HydrophobicContact CD2-CD2 3.67Å; W168-F191 HydrophobicContact CD2-CE2 4.37Å; W168-F191 AromaticContact CE2-CD2 3.63Å; W168-F191 AromaticContact CE3-CD2 3.93Å; W168-F191 HydrophobicContact CE3-CD2 3.93Å; W168-F191 HydrophobicContact CE3-CE2 4.2Å; W168-F191 HydrophobicContact CG-CD2 4.14Å; W168-F191 HydrophobicContact CH2-CD2 4.08Å; W168-F191 HydrophobicContact CZ2-CB 4.32Å; W168-F191 AromaticContact CZ2-CD2 3.85Å; W168-F191 HydrophobicContact CZ2-CD2 3.85Å; W168-F191 HydrophobicContact CZ2-CG 4.5Å; W168-F191 HydrophobicContact CZ3-CD2 4.14Å; W168-F191 HydrophobicContact CZ3-CE2 4.29Å
169N90.6Very high92.8Very high134 Ų13463.6 Ų63.672%0.71734%0.34SS*.  trans-151.1135.6174.6-173.723.7000109.7
170A92.8Very high92.4Very high15 Ų1558.6 Ų58.612%0.12432%0.318CS..  trans-146.2155.117200000109.4V87 W168 L183 A187V87-A170 HydrophobicContact CG2-CB 4.4Å; W168-A170 HydrophobicContact CH2-CB 3.42Å; W168-A170 VanDerWaalsContact CH2-CB 3.42Å; W168-A170 HydrophobicContact CZ2-CB 3.69Å; W168-A170 HydrophobicContact CZ3-CB 3.97Å; A170-L183 HydrophobicContact CB-CD1 4.33Å; A170-L183 HydrophobicContact CB-CD2 3.98Å; A170-A187 HydrophobicContact CB-CB 3.97Å
171K88.6Confident92.1Very high179 Ų17956.3 Ų56.378%0.77831%0.31SS*.  trans-124.2127.5174.2-65.5-177.4-179.1178.60108.3
172G84.2Confident91.7Very high28 Ų2859.3 Ų59.329%0.28933%0.325SS..  trans-101.518016800000111.2I181 D182G172-I181 VanDerWaalsContact C-CD1 3.47Å; G172-I181 VanDerWaalsContact CA-CD1 3.47Å; G172-D182 WeakPolarHBondContact CA-O 3.28Å
173A79.7Confident91.4Very high88 Ų8855 Ų5573%0.72731%0.306SS*.SBendtrans-86.7-100.3178.100000111.4
174D84.1Confident91.1Very high48 Ų4851.9 Ų51.926%0.25730%0.298SS..PPolyproline II helixtrans-98.6135-174.4-64.9-50.2000111.6R3 F8 R60R3-D174 IonicContact CZ-OD1 3.11Å; R3-D174 IonicContact CZ-OD2 2.74Å; R3-D174 IonicContact NH1-OD1 3.78Å; R3-D174 PolarHBondContact NH1-OD1 3.12Å; R3-D174 IonicContact NH1-OD2 3.67Å; R3-D174 PolarHBondContact NH1-OD2 3.08Å; F8-D174 HydrophobicContact CZ-CB 4.35Å; R60-D174 VanDerWaalsContact NH1-CB 3.29Å; R60-D174 IonicContact NH1-OD2 3.2Å; R60-D174 PolarHBondContact NH1-OD2 2.88Å
175V90.8Very high90.8Very high20 Ų2052 Ų5212%0.12131%0.308CS..PPolyproline II helixtrans-68.6134.6171.1179.40000110P48 A88 T91 F92 D180 I181P48-V175 VanDerWaalsContact CD-O 3.29Å; P48-V175 WeakPolarHBondContact CD-O 3.44Å; P48-V175 VanDerWaalsContact CG-O 3.22Å; P48-V175 WeakPolarHBondContact CG-O 3.34Å; A88-V175 HydrophobicContact CB-CG1 4.11Å; A88-V175 HydrophobicContact CB-CG2 3.99Å; T91-V175 HydrophobicContact CG2-CG2 3.94Å; F92-V175 HydrophobicContact CB-CG1 4.1Å; F92-V175 HydrophobicContact CD2-CG1 3.83Å; F92-V175 HydrophobicContact CG-CG1 4.42Å; V175-D180 WeakPolarHBondContact CA-O 3.15Å; V175-I181 HydrophobicContact CG2-CD1 4.34Å
176A92.3Very high90.5Very high0 Ų058.5 Ų58.50%034%0.338CS..PPolyproline II helixtrans-80.8169.1178.700000112.6R57 D178 G179 D180R57-A176 VanDerWaalsContact CD-CB 3.46Å; A176-D178 WeakPolarHBondContact CB-OD1 3.34Å; A176-D178 PolarHBondContact O-N 2.9Å; A176-G179 PolarHBondContact O-N 3.31Å; A176-G179 VanDerWaalsContact O-N 3.07Å; A176-D180 HydrophobicContact CB-CB 3.81Å; A176-D180 VanDerWaalsContact CB-O 3.28Å; A176-D180 WeakPolarHBondContact CB-O 2.95Å; A176-D180 PolarHBondContact N-O 3.22Å
177P91.3Very high90.5Very high7 Ų754.2 Ų54.25%0.04531%0.314CS..THydrogen-bonded Turntrans-62-26.6-179.3-14.726.6000113.7A39 P48 D49 Y50 R57A39-P177 HydrophobicContact CB-CB 4.49Å; P48-P177 HydrophobicContact CG-CG 4.18Å; P48-P177 WeakPolarHBondContact O-CB 3.2Å; P48-P177 WeakPolarHBondContact O-CG 3.5Å; D49-P177 WeakPolarHBondContact O-CG 3.41Å; Y50-P177 HydrophobicContact CD1-CG 4.05Å; Y50-P177 HydrophobicContact CD2-CB 4.06Å; Y50-P177 HydrophobicContact CD2-CG 4.03Å; Y50-P177 HydrophobicContact CE1-CB 4.21Å; Y50-P177 HydrophobicContact CE1-CG 3.94Å; Y50-P177 HydrophobicContact CE2-CB 3.54Å; Y50-P177 HydrophobicContact CE2-CG 3.92Å; Y50-P177 HydrophobicContact CG-CG 4.1Å; R57-P177 HydrophobicContact CB-CG 4.22Å; R57-P177 VanDerWaalsContact CD-CD 3.46Å
178D92Very high90.6Very high25 Ų2547.3 Ų47.313%0.13428%0.276CS..THydrogen-bonded Turntrans-948.6178.850.3-1.3000113.9Y50 I121 A176 D180Y50-D178 WeakPolarHBondContact OH-CB 3.5Å; I121-D178 HydrophobicContact CD1-CB 3.83Å; A176-D178 WeakPolarHBondContact CB-OD1 3.34Å; A176-D178 PolarHBondContact O-N 2.9Å; D178-D180 PolarHBondContact O-N 3.49Å; D178-D180 VanDerWaalsContact OD1-CB 3.25Å; D178-D180 WeakPolarHBondContact OD1-CB 3.41Å; D178-D180 PolarHBondContact OD1-N 3.29Å
179G90.4Very high90.6Very high6 Ų648.9 Ų48.96%0.06230%0.295CS..SBendtrans71.621.4-175.200000113.1A88 A176A88-G179 WeakPolarHBondContact CB-O 3.2Å; A176-G179 PolarHBondContact O-N 3.31Å; A176-G179 VanDerWaalsContact O-N 3.07Å
180D91.5Very high90.8Very high10 Ų1046.3 Ų46.35%0.05329%0.287CS..  trans-83.7163169.9-171.931.5000111.5R57 H63 R84 V175 A176 D178R57-D180 IonicContact CZ-OD2 3.59Å; R57-D180 IonicContact NH2-OD2 3.75Å; R57-D180 PolarHBondContact NH2-OD2 2.96Å; H63-D180 IonicContact CD2-OD2 3.29Å; H63-D180 PolarHBondContact CD2-OD2 3.41Å; H63-D180 VanDerWaalsContact CD2-OD2 3.24Å; H63-D180 IonicContact NE2-OD2 2.88Å; R84-D180 WeakPolarHBondContact CB-OD1 3.44Å; R84-D180 WeakPolarHBondContact CD-OD1 3.31Å; R84-D180 IonicContact NH1-OD2 2.82Å; V175-D180 WeakPolarHBondContact CA-O 3.15Å; A176-D180 HydrophobicContact CB-CB 3.81Å; A176-D180 VanDerWaalsContact CB-O 3.28Å; A176-D180 WeakPolarHBondContact CB-O 2.95Å; A176-D180 PolarHBondContact N-O 3.22Å; D178-D180 PolarHBondContact O-N 3.49Å; D178-D180 VanDerWaalsContact OD1-CB 3.25Å; D178-D180 WeakPolarHBondContact OD1-CB 3.41Å; D178-D180 PolarHBondContact OD1-N 3.29Å
181I91.7Very high91.1Very high7 Ų745.8 Ų45.84%0.03628%0.282CS..  trans-152.8138.5172.9-162.2171000110R84 V87 A88 G172 V175 L183R84-I181 HydrophobicContact CB-CG2 4.18Å; R84-I181 VanDerWaalsContact CB-O 3.26Å; R84-I181 WeakPolarHBondContact CB-O 3.15Å; R84-I181 WeakPolarHBondContact CD-O 3.38Å; R84-I181 WeakPolarHBondContact CG-O 3.42Å; R84-I181 VanDerWaalsContact O-CG2 3.25Å; R84-I181 WeakPolarHBondContact O-CG2 3.46Å; V87-I181 HydrophobicContact CB-CG2 3.97Å; V87-I181 HydrophobicContact CG1-CD1 4.25Å; V87-I181 HydrophobicContact CG1-CG2 4.06Å; A88-I181 HydrophobicContact CB-CB 4.07Å; A88-I181 HydrophobicContact CB-CG2 4.07Å; G172-I181 VanDerWaalsContact C-CD1 3.47Å; G172-I181 VanDerWaalsContact CA-CD1 3.47Å; V175-I181 HydrophobicContact CG2-CD1 4.34Å; I181-L183 HydrophobicContact CG2-CD2 4.25Å; I181-L183 HydrophobicContact CG2-CG 4.19Å; I181-L183 PolarHBondContact O-N 3.44Å
182D90.1Very high91.5Very high62 Ų6240.5 Ų40.533%0.33227%0.265SS..  trans-74.6129.6179.4-67.7-49.1000110.8R57 S61 R84 G172R57-D182 IonicContact NH1-OD2 3.95Å; R57-D182 IonicContact NH2-OD1 3.13Å; S61-D182 PolarHBondContact OG-OD2 3.13Å; R84-D182 IonicContact CZ-OD1 2.66Å; R84-D182 IonicContact NH1-OD1 3.02Å; R84-D182 PolarHBondContact NH1-OD1 3.01Å; R84-D182 IonicContact NH2-OD1 3.97Å; G172-D182 WeakPolarHBondContact CA-O 3.28Å
183L91.9Very high92.2Very high16 Ų1640 Ų408%0.08426%0.256CS..  trans-126.7156.4178.9-65.1-179.5000110.8A83 R84 V87 W168 A170 I181 E188A83-L183 HydrophobicContact CB-CD1 4.31Å; R84-L183 HydrophobicContact CB-CD1 4.49Å; R84-L183 HydrophobicContact CG-CB 4.45Å; R84-L183 HydrophobicContact CG-CD1 4.03Å; R84-L183 HydrophobicContact CG-CG 4.13Å; V87-L183 HydrophobicContact CB-CD1 4.48Å; V87-L183 HydrophobicContact CG1-CD2 4.37Å; V87-L183 HydrophobicContact CG2-CD1 3.97Å; V87-L183 HydrophobicContact CG2-CD2 4.36Å; W168-L183 HydrophobicContact CH2-CD1 3.93Å; W168-L183 HydrophobicContact CZ2-CD1 4.32Å; A170-L183 HydrophobicContact CB-CD1 4.33Å; A170-L183 HydrophobicContact CB-CD2 3.98Å; I181-L183 HydrophobicContact CG2-CD2 4.25Å; I181-L183 HydrophobicContact CG2-CG 4.19Å; I181-L183 PolarHBondContact O-N 3.44Å; L183-E188 HydrophobicContact CB-CG 4.04Å
184P91.5Very high93.1Very high74 Ų7435.8 Ų35.848%0.48122%0.221SC..  trans-61.5142.9170.4-21.333.4000111.9E186 A187 E188P184-E186 PolarHBondContact O-N 3Å; P184-A187 WeakPolarHBondContact O-CB 3.11Å; P184-A187 PolarHBondContact O-N 2.71Å; P184-A187 VanDerWaalsContact O-N 3.08Å; P184-E188 PolarHBondContact O-N 2.8Å; P184-E188 VanDerWaalsContact O-N 3.13Å
185A91.1Very high93.8Very high64 Ų6436.9 Ų36.953%0.52923%0.227SC..Hα-helixtrans-59.9-33.4-177.100000112.6A187 E188 A189A185-A187 VanDerWaalsContact C-N 3.35Å; A185-E188 PolarHBondContact O-N 2.84Å; A185-A189 WeakPolarHBondContact O-CB 3.41Å; A185-A189 PolarHBondContact O-N 2.63Å
186E93.1Very high94.1Very high144 Ų14436.1 Ų36.167%0.67322%0.223SC*.Hα-helixtrans-66.4-38.7178.5-57.472.9-157.300111.4P184 A189 S190P184-E186 PolarHBondContact O-N 3Å; E186-A189 PolarHBondContact O-N 3.48Å; E186-S190 PolarHBondContact O-N 3.32Å; E186-S190 PolarHBondContact O-OG 3.29Å
187A94.4Very high94.4Very high19 Ų1939.7 Ų39.716%0.15725%0.246CC..Hα-helixtrans-69.2-40.8176.200000111.2W168 A170 P184 A185 A189 S190W168-A187 HydrophobicContact CZ2-CB 4.24Å; W168-A187 WeakPolarHBondContact CZ2-O 3.35Å; W168-A187 PolarHBondContact NE1-O 3.16Å; A170-A187 HydrophobicContact CB-CB 3.97Å; P184-A187 WeakPolarHBondContact O-CB 3.11Å; P184-A187 PolarHBondContact O-N 2.71Å; P184-A187 VanDerWaalsContact O-N 3.08Å; A185-A187 VanDerWaalsContact C-N 3.35Å; A187-A189 VanDerWaalsContact C-N 3.34Å; A187-S190 PolarHBondContact O-N 3.29Å; A187-S190 PolarHBondContact O-OG 3.38Å
188E94.6Very high94.6Very high23 Ų2346.3 Ų46.311%0.10727%0.274CS..Hα-helixtrans-61.8-42.9174.6-64.9172.7177.900111.3R79 R80 R84 L183 P184 A185 S190 F191R79-E188 WeakPolarHBondContact CD-O 3.27Å; R79-E188 WeakPolarHBondContact CG-O 3.45Å; R80-E188 WeakPolarHBondContact CD-OE2 3.49Å; R80-E188 HydrophobicContact CG-CG 4.29Å; R80-E188 VanDerWaalsContact CG-OE2 3.3Å; R80-E188 WeakPolarHBondContact CG-OE2 3.48Å; R84-E188 IonicContact CZ-OE1 3.31Å; R84-E188 IonicContact NE-OE1 2.74Å; R84-E188 PolarHBondContact NE-OE1 3.05Å; R84-E188 IonicContact NH2-OE1 3.06Å; R84-E188 PolarHBondContact NH2-OE1 3.05Å; L183-E188 HydrophobicContact CB-CG 4.04Å; P184-E188 PolarHBondContact O-N 2.8Å; P184-E188 VanDerWaalsContact O-N 3.13Å; A185-E188 PolarHBondContact O-N 2.84Å; E188-S190 VanDerWaalsContact C-N 3.3Å; E188-S190 PolarHBondContact O-N 3.3Å; E188-F191 PolarHBondContact O-N 2.9Å
189A95.1Very high95Very high58 Ų5847.2 Ų47.248%0.47928%0.281SS..Hα-helixtrans-64.8-31.5-178.800000113.1R79 A185 E186 A187R79-A189 WeakPolarHBondContact CD-O 3.32Å; R79-A189 PolarHBondContact NH1-O 3.18Å; A185-A189 WeakPolarHBondContact O-CB 3.41Å; A185-A189 PolarHBondContact O-N 2.63Å; E186-A189 PolarHBondContact O-N 3.48Å; A187-A189 VanDerWaalsContact C-N 3.34Å
190S95.9Very high95.3Very high80 Ų8049.2 Ų49.256%0.55930%0.303SS*.THydrogen-bonded Turntrans-88.51.2-179.767.80000114.7W168 E186 A187 E188W168-S190 PolarHBondContact NE1-OG 2.76Å; E186-S190 PolarHBondContact O-N 3.32Å; E186-S190 PolarHBondContact O-OG 3.29Å; A187-S190 PolarHBondContact O-N 3.29Å; A187-S190 PolarHBondContact O-OG 3.38Å; E188-S190 VanDerWaalsContact C-N 3.3Å; E188-S190 PolarHBondContact O-N 3.3Å
191F98.4Very high95.7Very high4 Ų449.2 Ų49.22%0.01831%0.305CS..  trans-81.5137.5-179.5-173.2-95.6000112.1R79 W82 A83 Y86 I161 N165 W168 E188 T193R79-F191 WeakPolarHBondContact CD-O 3.3Å; R79-F191 HydrophobicContact CG-CB 4.18Å; R79-F191 HydrophobicContact CG-CD1 4.45Å; R79-F191 WeakPolarHBondContact CG-O 3.41Å; W82-F191 HydrophobicContact CB-CD1 4.44Å; W82-F191 HydrophobicContact CB-CE1 3.68Å; W82-F191 HydrophobicContact CB-CZ 4.42Å; A83-F191 HydrophobicContact CB-CB 3.7Å; A83-F191 HydrophobicContact CB-CD1 3.84Å; A83-F191 HydrophobicContact CB-CD2 3.84Å; A83-F191 HydrophobicContact CB-CE1 4.38Å; A83-F191 HydrophobicContact CB-CE2 4.37Å; A83-F191 HydrophobicContact CB-CG 3.52Å; Y86-F191 AromaticContact CD1-CE2 3.9Å; Y86-F191 HydrophobicContact CD1-CE2 3.9Å; Y86-F191 AromaticContact CG-CE2 3.94Å; Y86-F191 HydrophobicContact CG-CE2 3.94Å; Y86-F191 HydrophobicContact CG-CZ 4.14Å; I161-F191 HydrophobicContact CG2-CE1 4.34Å; I161-F191 HydrophobicContact CG2-CE2 4.15Å; I161-F191 HydrophobicContact CG2-CZ 3.45Å; I161-F191 VanDerWaalsContact CG2-CZ 3.45Å; N165-F191 HydrophobicContact CB-CE2 4.3Å; N165-F191 WeakPolarHBondContact OD1-CD2 2.93Å; W168-F191 AromaticContact CD2-CD2 3.67Å; W168-F191 HydrophobicContact CD2-CD2 3.67Å; W168-F191 HydrophobicContact CD2-CE2 4.37Å; W168-F191 AromaticContact CE2-CD2 3.63Å; W168-F191 AromaticContact CE3-CD2 3.93Å; W168-F191 HydrophobicContact CE3-CD2 3.93Å; W168-F191 HydrophobicContact CE3-CE2 4.2Å; W168-F191 HydrophobicContact CG-CD2 4.14Å; W168-F191 HydrophobicContact CH2-CD2 4.08Å; W168-F191 HydrophobicContact CZ2-CB 4.32Å; W168-F191 AromaticContact CZ2-CD2 3.85Å; W168-F191 HydrophobicContact CZ2-CD2 3.85Å; W168-F191 HydrophobicContact CZ2-CG 4.5Å; W168-F191 HydrophobicContact CZ3-CD2 4.14Å; W168-F191 HydrophobicContact CZ3-CE2 4.29Å; E188-F191 PolarHBondContact O-N 2.9Å; F191-T193 PolarHBondContact O-N 3.03Å
192T98.2Very high96Very high68 Ų6850.6 Ų50.642%0.41731%0.312SS..  trans-85112.1174.7-56.10000110.3L164 N165L164-T192 HydrophobicContact CB-CG2 4.1Å; L164-T192 PolarHBondContact O-OG1 3.46Å; N165-T192 PolarHBondContact ND2-O 3.42Å; N165-T192 WeakPolarHBondContact OD1-CB 3.43Å; N165-T192 PolarHBondContact OD1-N 3.21Å
193T98.1Very high96.4Very high16 Ų1647.7 Ų47.710%0.09830%0.296CS..  trans-62.4127.5177.1-53.50000111.5R78 R79 F191 N195R78-T193 HydrophobicContact CB-CG2 3.98Å; R79-T193 VanDerWaalsContact CA-OG1 3.29Å; R79-T193 WeakPolarHBondContact CA-OG1 3.41Å; R79-T193 WeakPolarHBondContact CB-OG1 3.42Å; F191-T193 PolarHBondContact O-N 3.03Å; T193-N195 PolarHBondContact O-N 3.4Å
194P98.3Very high96.7Very high0 Ų047.3 Ų47.30%029%0.294CS..  trans-79.286.7-176.833.5-38.5000112.6W82 F157 Y160 I161 L164 T203W82-P194 HydrophobicContact CB-CG 4.17Å; W82-P194 HydrophobicContact CD2-CG 3.55Å; W82-P194 HydrophobicContact CE3-CG 4.01Å; W82-P194 HydrophobicContact CG-CG 3.64Å; W82-P194 HydrophobicContact CZ2-CG 4.41Å; F157-P194 HydrophobicContact CE1-CB 3.78Å; F157-P194 HydrophobicContact CE1-CG 3.87Å; F157-P194 HydrophobicContact CZ-CB 3.88Å; F157-P194 HydrophobicContact CZ-CG 4.34Å; Y160-P194 HydrophobicContact CD1-CB 4.35Å; Y160-P194 HydrophobicContact CE1-CB 4Å; I161-P194 HydrophobicContact CD1-CB 4.5Å; I161-P194 HydrophobicContact CD1-CG 4.08Å; I161-P194 HydrophobicContact CG1-CB 3.74Å; I161-P194 HydrophobicContact CG1-CG 3.84Å; L164-P194 HydrophobicContact CD1-CB 4.03Å; P194-T203 WeakPolarHBondContact O-CG2 3.37Å; P194-T203 PolarHBondContact O-OG1 3.36Å
195N98.5Very high97Very high72 Ų7243.9 Ų43.939%0.38527%0.272SS..  trans-66.7161.2169.8-69.4-29.2000111.5Y160 T193 P197Y160-N195 WeakPolarHBondContact CE1-O 3.37Å; Y160-N195 PolarHBondContact OH-O 3.16Å; T193-N195 PolarHBondContact O-N 3.4Å; N195-P197 WeakPolarHBondContact O-CD 3.34Å
196C98.7Very high97.3Very high4 Ų443 Ų433%0.02726%0.257CS..  trans-60.3121.4-178.1171.10000110.6C145 W152 K198 C199 G200 G201 T203C145-C196 HydrophobicContact CB-CB 3.96Å; C145-C196 WeakPolarHBondContact SG-CB 3.38Å; W152-C196 HydrophobicContact CH2-CB 4.44Å; C196-K198 PolarHBondContact O-N 2.84Å; C196-K198 VanDerWaalsContact O-N 3.1Å; C196-K198 PolarHBondContact SG-N 2.9Å; C196-K198 VanDerWaalsContact SG-N 3.45Å; C196-C199 PolarHBondContact O-N 3.48Å; C196-C199 PolarHBondContact SG-N 2.95Å; C196-C199 VanDerWaalsContact SG-N 3.44Å; C196-C199 PolarHBondContact SG-SG 3.44Å; C196-G200 WeakPolarHBondContact O-CA 3.49Å; C196-G200 PolarHBondContact O-N 3.17Å; C196-G201 WeakPolarHBondContact CB-O 3.35Å; C196-G201 PolarHBondContact N-O 3.38Å; C196-T203 HydrophobicContact CB-CG2 3.91Å
197P97.1Very high97.6Very high74 Ų7436.8 Ų36.848%0.48123%0.228SC..THydrogen-bonded Turntrans-65.5-17.8-178.525.7-34.3000113W152 Y160 N195W152-P197 HydrophobicContact CH2-CG 4.39Å; W152-P197 HydrophobicContact CZ2-CG 3.71Å; Y160-P197 HydrophobicContact CE1-CG 4.44Å; Y160-P197 HydrophobicContact CE2-CB 4.14Å; N195-P197 WeakPolarHBondContact O-CD 3.34Å
198K97.1Very high97.7Very high146 Ų14637.1 Ų37.164%0.63523%0.228SC*.THydrogen-bonded Turntrans-88.5-37.3179.9-174.4177.5-178.9179.30113.9C196C196-K198 PolarHBondContact O-N 2.84Å; C196-K198 VanDerWaalsContact O-N 3.1Å; C196-K198 PolarHBondContact SG-N 2.9Å; C196-K198 VanDerWaalsContact SG-N 3.45Å
199C98.4Very high97.8Very high44 Ų4436.5 Ų36.530%0.29723%0.225SC..THydrogen-bonded Turntrans-139.22.2-169.976.20000115.2C148 C196 G201C148-C199 HydrophobicContact CB-CB 4.49Å; C196-C199 PolarHBondContact O-N 3.48Å; C196-C199 PolarHBondContact SG-N 2.95Å; C196-C199 VanDerWaalsContact SG-N 3.44Å; C196-C199 PolarHBondContact SG-SG 3.44Å; C199-G201 PolarHBondContact O-N 3.13Å; C199-G201 VanDerWaalsContact O-N 3.15Å; C199-G201 PolarHBondContact SG-N 3.07Å
200G98.1Very high97.8Very high49 Ų4937.6 Ų37.651%0.50522%0.219SC..  trans70.10.7-17700000115.3C196C196-G200 WeakPolarHBondContact O-CA 3.49Å; C196-G200 PolarHBondContact O-N 3.17Å
201G98.5Very high97.8Very high10 Ų1036.9 Ų36.910%0.10322%0.224CC..PPolyproline II helixtrans-69.4163.8179.400000113.8C196 C199 T203C196-G201 WeakPolarHBondContact CB-O 3.35Å; C196-G201 PolarHBondContact N-O 3.38Å; C199-G201 PolarHBondContact O-N 3.13Å; C199-G201 VanDerWaalsContact O-N 3.15Å; C199-G201 PolarHBondContact SG-N 3.07Å; G201-T203 PolarHBondContact O-N 3.02Å
202I98.8Very high97.8Very high36 Ų3638.9 Ų38.919%0.18523%0.234CC..PPolyproline II helixtrans-58.2133.6176.7-64.7169.5000110F71 M72 C145 M146F71-I202 HydrophobicContact CD1-CG2 4.48Å; F71-I202 HydrophobicContact CE1-CG2 3.81Å; M72-I202 HydrophobicContact CE-CD1 3.98Å; M72-I202 HydrophobicContact CE-CG2 4.44Å; M72-I202 WeakPolarHBondContact O-CD1 3.41Å; M72-I202 HydrophobicContact SD-CG2 4.28Å; C145-I202 WeakPolarHBondContact CA-O 3.31Å; M146-I202 HydrophobicContact CG-CG2 4.29Å; M146-I202 PolarHBondContact N-O 3.33Å
203T98.8Very high97.6Very high1 Ų143.7 Ų43.71%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-103.7141.8167.367.90000109.8F71 W82 R144 W152 F157 P194 C196 G201F71-T203 WeakPolarHBondContact CZ-O 3.41Å; W82-T203 WeakPolarHBondContact CZ2-OG1 3.14Å; W82-T203 PolarHBondContact NE1-O 2.95Å; R144-T203 WeakPolarHBondContact O-CA 3.36Å; W152-T203 HydrophobicContact CZ3-CG2 4.34Å; F157-T203 HydrophobicContact CE2-CG2 4.24Å; F157-T203 HydrophobicContact CZ-CG2 3.81Å; P194-T203 WeakPolarHBondContact O-CG2 3.37Å; P194-T203 PolarHBondContact O-OG1 3.36Å; C196-T203 HydrophobicContact CB-CG2 3.91Å; G201-T203 PolarHBondContact O-N 3.02Å
204K98.5Very high97.5Very high7 Ų744.2 Ų44.23%0.0326%0.256CS..EExtended strand (participates in β ladder)trans-135.1141.9177.8-165.1178.969.968.90108F68 F71 R144 M146 I207 F209 E212F68-K204 HydrophobicContact CD2-CD 4.35Å; F68-K204 HydrophobicContact CE2-CD 4.26Å; F71-K204 HydrophobicContact CD1-CD 4.12Å; F71-K204 HydrophobicContact CD1-CG 4.13Å; F71-K204 HydrophobicContact CE1-CB 3.8Å; F71-K204 HydrophobicContact CE1-CD 4.12Å; F71-K204 HydrophobicContact CE1-CG 3.65Å; F71-K204 HydrophobicContact CZ-CB 4.31Å; F71-K204 HydrophobicContact CZ-CG 4.1Å; R144-K204 PolarHBondContact N-O 3.21Å; R144-K204 PolarHBondContact O-N 2.91Å; M146-K204 HydrophobicContact CG-CB 4.05Å; M146-K204 HydrophobicContact SD-CB 3.85Å; M146-K204 HydrophobicContact SD-CD 4.46Å; K204-I207 PolarHBondContact NZ-O 2.84Å; K204-F209 HydrophobicContact CD-CD2 3.84Å; K204-F209 HydrophobicContact CD-CE2 3.63Å; K204-F209 HydrophobicContact CD-CZ 4.19Å; K204-F209 HydrophobicContact CG-CD2 4.36Å; K204-F209 HydrophobicContact CG-CE2 3.65Å; K204-F209 HydrophobicContact CG-CZ 3.84Å; K204-E212 VanDerWaalsContact CE-OE1 3.25Å; K204-E212 WeakPolarHBondContact CE-OE1 3.28Å; K204-E212 WeakPolarHBondContact CE-OE2 3.5Å; K204-E212 IonicContact NZ-OE1 2.66Å; K204-E212 PolarHBondContact NZ-OE1 2.83Å; K204-E212 IonicContact NZ-OE2 3.76Å; K204-E212 PolarHBondContact NZ-OE2 2.91Å
205P98.2Very high97.3Very high2 Ų247 Ų471%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-60153.816421.3-24.8000110.2Y81 S142 I207 F209Y81-P205 HydrophobicContact CE1-CG 3.55Å; Y81-P205 WeakPolarHBondContact OH-CG 3.24Å; S142-P205 CarbonylContact O-C 3.59Å; S142-P205 WeakPolarHBondContact O-CA 3.25Å; P205-I207 HydrophobicContact CB-CD1 3.94Å; P205-I207 HydrophobicContact CB-CG1 4.16Å; P205-I207 HydrophobicContact CG-CD1 4.02Å; P205-I207 PolarHBondContact O-N 3.39Å; P205-F209 HydrophobicContact CG-CE1 4.31Å; P205-F209 HydrophobicContact CG-CZ 4.04Å
206E97.6Very high97.1Very high46 Ų4648.4 Ų48.422%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-77.544175.6-62.6-156.9102.300111.6G138 N139 S142 R144 R151G138-E206 CarbonylContact C-O 3.58Å; G138-E206 WeakPolarHBondContact CA-O 3.38Å; N139-E206 PolarHBondContact N-O 3.47Å; N139-E206 CarbonylContact O-C 3.5Å; S142-E206 VanDerWaalsContact CB-OE2 3.23Å; S142-E206 WeakPolarHBondContact CB-OE2 3.43Å; S142-E206 PolarHBondContact O-N 3.15Å; S142-E206 PolarHBondContact OG-OE2 2.86Å; R144-E206 HydrophobicContact CB-CG 3.9Å; R144-E206 IonicContact CZ-OE1 3.08Å; R144-E206 IonicContact NE-OE1 2.71Å; R144-E206 PolarHBondContact NE-OE1 2.85Å; R144-E206 IonicContact NH2-OE1 3.88Å; R144-E206 PolarHBondContact NH2-OE1 2.97Å; R151-E206 WeakPolarHBondContact CD-OE2 3.32Å; R151-E206 IonicContact CZ-OE1 2.65Å; R151-E206 IonicContact NE-OE1 2.78Å; R151-E206 PolarHBondContact NE-OE1 2.81Å; R151-E206 VanDerWaalsContact NE-OE1 3.13Å; R151-E206 IonicContact NE-OE2 2.82Å; R151-E206 PolarHBondContact NE-OE2 2.99Å; R151-E206 IonicContact NH2-OE1 2.84Å
207I97.7Very high96.9Very high13 Ų1353.6 Ų53.67%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-99.9134.5169.5-62.9162.3000107.8I121 H137 A140 K204 P205 F209I121-I207 HydrophobicContact CB-CG1 4.23Å; I121-I207 HydrophobicContact CD1-CD1 3.44Å; I121-I207 VanDerWaalsContact CD1-CD1 3.44Å; I121-I207 HydrophobicContact CD1-CG1 3.78Å; I121-I207 HydrophobicContact CD1-CG2 3.92Å; I121-I207 HydrophobicContact CG2-CG1 4.38Å; I121-I207 HydrophobicContact CG2-CG2 4.15Å; H137-I207 CarbonylContact O-C 3.52Å; H137-I207 WeakPolarHBondContact O-CA 3.47Å; A140-I207 HydrophobicContact CB-CD1 3.9Å; A140-I207 HydrophobicContact CB-CG1 4.45Å; K204-I207 PolarHBondContact NZ-O 2.84Å; P205-I207 HydrophobicContact CB-CD1 3.94Å; P205-I207 HydrophobicContact CB-CG1 4.16Å; P205-I207 HydrophobicContact CG-CD1 4.02Å; P205-I207 PolarHBondContact O-N 3.39Å; I207-F209 HydrophobicContact CB-CD1 4.29Å; I207-F209 HydrophobicContact CB-CE1 4Å; I207-F209 HydrophobicContact CG2-CD1 3.95Å; I207-F209 HydrophobicContact CG2-CE1 4.02Å; I207-F209 PolarHBondContact O-N 2.78Å
208V97.1Very high96.8Very high26 Ų2654.6 Ų54.616%0.15831%0.307CS..  trans-76.4111.9172.9-178.40000108.4H137 E212 L214H137-V208 PolarHBondContact O-N 2.86Å; V208-E212 WeakPolarHBondContact CA-OE2 3.11Å; V208-E212 HydrophobicContact CG1-CB 3.84Å; V208-E212 HydrophobicContact CG1-CG 4.26Å; V208-L214 HydrophobicContact CB-CD2 4.25Å; V208-L214 HydrophobicContact CG1-CD2 3.88Å; V208-L214 HydrophobicContact CG1-CG 4.31Å; V208-L214 HydrophobicContact CG2-CD2 4.06Å
209F97.4Very high96.7Very high11 Ų1149.4 Ų49.45%0.04829%0.285CS..  trans-77.1165177.4-68.5-11.7000111.5V66 F68 F71 Y81 K204 P205 I207 G211 E212V66-F209 HydrophobicContact CG1-CB 4.4Å; V66-F209 HydrophobicContact CG1-CD1 3.72Å; V66-F209 HydrophobicContact CG1-CD2 3.63Å; V66-F209 HydrophobicContact CG1-CE1 3.78Å; V66-F209 HydrophobicContact CG1-CE2 3.7Å; V66-F209 HydrophobicContact CG1-CG 3.66Å; V66-F209 HydrophobicContact CG1-CZ 3.77Å; V66-F209 HydrophobicContact CG2-CD2 4.5Å; F68-F209 HydrophobicContact CB-CB 4.07Å; F71-F209 HydrophobicContact CB-CD2 4.02Å; F71-F209 HydrophobicContact CB-CE2 4.01Å; F71-F209 HydrophobicContact CD1-CD2 4.47Å; F71-F209 AromaticContact CD1-CE2 3.92Å; F71-F209 HydrophobicContact CD1-CE2 3.92Å; F71-F209 HydrophobicContact CD2-CD2 4.45Å; F71-F209 AromaticContact CD2-CE2 3.62Å; F71-F209 HydrophobicContact CD2-CE2 3.62Å; F71-F209 HydrophobicContact CD2-CZ 4.42Å; F71-F209 HydrophobicContact CE1-CE2 4.28Å; F71-F209 AromaticContact CE2-CE2 3.99Å; F71-F209 HydrophobicContact CE2-CE2 3.99Å; F71-F209 HydrophobicContact CE2-CZ 4.46Å; F71-F209 HydrophobicContact CG-CD2 4.08Å; F71-F209 AromaticContact CG-CE2 3.57Å; F71-F209 HydrophobicContact CG-CE2 3.57Å; F71-F209 HydrophobicContact CZ-CE2 4.3Å; Y81-F209 HydrophobicContact CD2-CZ 4.2Å; Y81-F209 HydrophobicContact CE1-CZ 4.05Å; Y81-F209 AromaticContact CE2-CE1 3.92Å; Y81-F209 HydrophobicContact CE2-CE1 3.92Å; Y81-F209 AromaticContact CE2-CZ 3.64Å; Y81-F209 HydrophobicContact CE2-CZ 3.64Å; Y81-F209 AromaticContact CZ-CE1 3.94Å; Y81-F209 AromaticContact CZ-CZ 3.57Å; K204-F209 HydrophobicContact CD-CD2 3.84Å; K204-F209 HydrophobicContact CD-CE2 3.63Å; K204-F209 HydrophobicContact CD-CZ 4.19Å; K204-F209 HydrophobicContact CG-CD2 4.36Å; K204-F209 HydrophobicContact CG-CE2 3.65Å; K204-F209 HydrophobicContact CG-CZ 3.84Å; P205-F209 HydrophobicContact CG-CE1 4.31Å; P205-F209 HydrophobicContact CG-CZ 4.04Å; I207-F209 HydrophobicContact CB-CD1 4.29Å; I207-F209 HydrophobicContact CB-CE1 4Å; I207-F209 HydrophobicContact CG2-CD1 3.95Å; I207-F209 HydrophobicContact CG2-CE1 4.02Å; I207-F209 PolarHBondContact O-N 2.78Å; F209-G211 PolarHBondContact O-N 2.85Å; F209-E212 PolarHBondContact N-OE2 2.88Å; F209-E212 WeakPolarHBondContact O-CB 3.32Å; F209-E212 PolarHBondContact O-N 2.8Å
210F95.5Very high96.6Very high81 Ų8150.8 Ų50.836%0.35529%0.289SS..BIsolated β-bridgetrans-61.6140.1175-77.6-103.5000109.8P65 V66 E67 F68 E212P65-F210 HydrophobicContact CB-CD2 3.39Å; P65-F210 HydrophobicContact CB-CE2 3.26Å; P65-F210 HydrophobicContact CB-CG 4.44Å; P65-F210 HydrophobicContact CB-CZ 4.25Å; P65-F210 HydrophobicContact CG-CD2 4.09Å; P65-F210 HydrophobicContact CG-CE2 3.48Å; P65-F210 VanDerWaalsContact CG-CE2 3.48Å; P65-F210 HydrophobicContact CG-CZ 4.04Å; V66-F210 PolarHBondContact O-N 2.83Å; E67-F210 VanDerWaalsContact CD-CB 3.42Å; E67-F210 VanDerWaalsContact OE1-CB 3.28Å; E67-F210 WeakPolarHBondContact OE1-CB 3.35Å; E67-F210 VanDerWaalsContact OE2-CB 3.28Å; E67-F210 WeakPolarHBondContact OE2-CB 3.16Å; E67-F210 VanDerWaalsContact OE2-O 3.1Å; F68-F210 WeakPolarHBondContact CB-O 3.42Å; F68-F210 PolarHBondContact N-O 2.62Å; F210-E212 PolarHBondContact O-N 2.87Å; F210-E212 VanDerWaalsContact O-N 3.15Å
211G95.4Very high96.6Very high65 Ų6551.3 Ų51.367%0.6728%0.281SS*.THydrogen-bonded Turntrans72.5-5.6-172.300000115.7F209F209-G211 PolarHBondContact O-N 2.85Å
212E97.1Very high96.6Very high45 Ų4550.9 Ų50.921%0.2128%0.276CS..PPolyproline II helixtrans-76.5141171.4-165.3169.2-175.100110.1F68 K204 V208 F209 F210 L214F68-E212 HydrophobicContact CB-CB 3.8Å; F68-E212 HydrophobicContact CD1-CB 4.47Å; F68-E212 HydrophobicContact CD1-CG 4.48Å; F68-E212 HydrophobicContact CD2-CB 3.8Å; F68-E212 HydrophobicContact CD2-CG 3.58Å; F68-E212 WeakPolarHBondContact CD2-OE2 3.34Å; F68-E212 HydrophobicContact CE2-CG 3.83Å; F68-E212 WeakPolarHBondContact CE2-OE1 3.16Å; F68-E212 HydrophobicContact CG-CB 3.76Å; F68-E212 HydrophobicContact CG-CG 3.94Å; F68-E212 HydrophobicContact CZ-CG 4.38Å; K204-E212 VanDerWaalsContact CE-OE1 3.25Å; K204-E212 WeakPolarHBondContact CE-OE1 3.28Å; K204-E212 WeakPolarHBondContact CE-OE2 3.5Å; K204-E212 IonicContact NZ-OE1 2.66Å; K204-E212 PolarHBondContact NZ-OE1 2.83Å; K204-E212 IonicContact NZ-OE2 3.76Å; K204-E212 PolarHBondContact NZ-OE2 2.91Å; V208-E212 WeakPolarHBondContact CA-OE2 3.11Å; V208-E212 HydrophobicContact CG1-CB 3.84Å; V208-E212 HydrophobicContact CG1-CG 4.26Å; F209-E212 PolarHBondContact N-OE2 2.88Å; F209-E212 WeakPolarHBondContact O-CB 3.32Å; F209-E212 PolarHBondContact O-N 2.8Å; F210-E212 PolarHBondContact O-N 2.87Å; F210-E212 VanDerWaalsContact O-N 3.15Å; E212-L214 PolarHBondContact O-N 2.75Å
213M95.3Very high96.6Very high170 Ų17052.7 Ų52.784%0.83728%0.281SS*.PPolyproline II helixtrans-72.4131.5171.4-70.6-163-62.100109.9
214L95.2Very high96.6Very high27 Ų2756.7 Ų56.714%0.14130%0.302CS..PPolyproline II helixtrans-62.4144.6170.4-71.6160.7000110.2L136 V208 E212 V216 M219L136-L214 HydrophobicContact CD1-CD2 4.43Å; L136-L214 HydrophobicContact CG-CD2 4.32Å; L136-L214 WeakPolarHBondContact O-CD2 3.42Å; V208-L214 HydrophobicContact CB-CD2 4.25Å; V208-L214 HydrophobicContact CG1-CD2 3.88Å; V208-L214 HydrophobicContact CG1-CG 4.31Å; V208-L214 HydrophobicContact CG2-CD2 4.06Å; E212-L214 PolarHBondContact O-N 2.75Å; L214-V216 PolarHBondContact O-N 2.81Å; L214-M219 HydrophobicContact CB-CE 3.43Å; L214-M219 VanDerWaalsContact CB-CE 3.43Å; L214-M219 HydrophobicContact CD1-CE 3.3Å; L214-M219 HydrophobicContact CG-CE 3.96Å
215P93.8Very high96.6Very high57 Ų5760.1 Ų60.137%0.3731%0.314SS..PPolyproline II helixtrans-54.8122.7173.3-2736.7000111.6Q217 E218 M219P215-Q217 VanDerWaalsContact C-N 3.33Å; P215-Q217 PolarHBondContact O-N 3.16Å; P215-E218 HydrophobicContact CB-CB 4.24Å; P215-E218 VanDerWaalsContact CB-CD 3.43Å; P215-E218 HydrophobicContact CB-CG 4.28Å; P215-E218 WeakPolarHBondContact CB-OE2 3.48Å; P215-E218 PolarHBondContact O-N 3.34Å; P215-M219 WeakPolarHBondContact O-CB 3.48Å; P215-M219 PolarHBondContact O-N 2.92Å
216V94.7Very high96.6Very high102 Ų10260 Ų6062%0.61831%0.314SS*.Hα-helixtrans-63.2-40-171.3174.70000111.6L214 M219 N220L214-V216 PolarHBondContact O-N 2.81Å; V216-M219 PolarHBondContact O-N 3.06Å; V216-N220 WeakPolarHBondContact O-CB 3.5Å; V216-N220 PolarHBondContact O-N 3.47Å; V216-N220 PolarHBondContact O-ND2 3.07Å
217Q94.9Very high96.7Very high113 Ų11362.2 Ų62.253%0.52833%0.327SS..Hα-helixtrans-65.7-50.3-178-175.160.339.300111P215 M219 N220 D221P215-Q217 VanDerWaalsContact C-N 3.33Å; P215-Q217 PolarHBondContact O-N 3.16Å; Q217-M219 VanDerWaalsContact C-N 3.27Å; Q217-M219 PolarHBondContact O-N 3.4Å; Q217-N220 PolarHBondContact O-N 3.2Å; Q217-N220 VanDerWaalsContact O-N 3.16Å; Q217-D221 PolarHBondContact NE2-OD1 3.16Å; Q217-D221 WeakPolarHBondContact O-CB 3.17Å; Q217-D221 PolarHBondContact O-N 2.86Å
218E94.2Very high96.7Very high95 Ų9565.2 Ų65.244%0.44434%0.341SS..Hα-helixtrans-62.9-35.6179.9-67.185.1155.500111.5T134 P215 C222T134-E218 HydrophobicContact CG2-CB 4.27Å; P215-E218 HydrophobicContact CB-CB 4.24Å; P215-E218 VanDerWaalsContact CB-CD 3.43Å; P215-E218 HydrophobicContact CB-CG 4.28Å; P215-E218 WeakPolarHBondContact CB-OE2 3.48Å; P215-E218 PolarHBondContact O-N 3.34Å; E218-C222 PolarHBondContact O-N 3.03Å; E218-C222 VanDerWaalsContact O-N 3.07Å; E218-C222 PolarHBondContact O-SG 3.38Å
219M95.8Very high96.8Very high38 Ų3864.1 Ų64.119%0.18733%0.334CS..Hα-helixtrans-66-47.4173.2-175.4-175.9-75.100111.8L214 P215 V216 Q217 D221 C222 Y223L214-M219 HydrophobicContact CB-CE 3.43Å; L214-M219 VanDerWaalsContact CB-CE 3.43Å; L214-M219 HydrophobicContact CD1-CE 3.3Å; L214-M219 HydrophobicContact CG-CE 3.96Å; P215-M219 WeakPolarHBondContact O-CB 3.48Å; P215-M219 PolarHBondContact O-N 2.92Å; V216-M219 PolarHBondContact O-N 3.06Å; Q217-M219 VanDerWaalsContact C-N 3.27Å; Q217-M219 PolarHBondContact O-N 3.4Å; M219-D221 VanDerWaalsContact C-N 3.34Å; M219-D221 PolarHBondContact O-N 3.16Å; M219-C222 WeakPolarHBondContact O-CB 3.32Å; M219-C222 PolarHBondContact O-N 3.49Å; M219-Y223 HydrophobicContact CG-CD2 3.86Å; M219-Y223 HydrophobicContact CG-CE2 3.53Å; M219-Y223 WeakPolarHBondContact O-CD2 3.4Å; M219-Y223 PolarHBondContact O-N 3.33Å; M219-Y223 HydrophobicContact SD-CE2 3.91Å
220N96.8Very high96.8Very high72 Ų7265.9 Ų65.939%0.38534%0.344SS..Hα-helixtrans-62.2-42.4177.9-72.3-15.8000111.5V216 Q217 C222 Y223 I224V216-N220 WeakPolarHBondContact O-CB 3.5Å; V216-N220 PolarHBondContact O-N 3.47Å; V216-N220 PolarHBondContact O-ND2 3.07Å; Q217-N220 PolarHBondContact O-N 3.2Å; Q217-N220 VanDerWaalsContact O-N 3.16Å; N220-C222 VanDerWaalsContact C-N 3.29Å; N220-C222 PolarHBondContact O-N 2.94Å; N220-Y223 WeakPolarHBondContact O-CB 3.34Å; N220-Y223 PolarHBondContact O-N 3.21Å; N220-Y223 VanDerWaalsContact O-N 3.12Å; N220-I224 WeakPolarHBondContact O-CG1 3.38Å; N220-I224 PolarHBondContact O-N 3Å
221D97.7Very high97Very high61 Ų6162.1 Ų62.133%0.32633%0.328SS..Hα-helixtrans-60-41.3175.6-67.7-18.2000110.6Q217 M219 Y223 I224 R225Q217-D221 PolarHBondContact NE2-OD1 3.16Å; Q217-D221 WeakPolarHBondContact O-CB 3.17Å; Q217-D221 PolarHBondContact O-N 2.86Å; M219-D221 VanDerWaalsContact C-N 3.34Å; M219-D221 PolarHBondContact O-N 3.16Å; D221-Y223 PolarHBondContact O-N 3.23Å; D221-I224 PolarHBondContact O-N 3.12Å; D221-R225 VanDerWaalsContact O-CG 3.22Å; D221-R225 WeakPolarHBondContact O-CG 3.31Å; D221-R225 PolarHBondContact O-N 2.91Å
222C98.5Very high97.1Very high0 Ų059 Ų590%030%0.296CS..Hα-helixtrans-61-44.9173.3-68.90000112.3I117 T134 E218 M219 N220 I224 R225 V226 F247I117-C222 HydrophobicContact CD1-CB 3.89Å; T134-C222 VanDerWaalsContact CG2-SG 3.51Å; E218-C222 PolarHBondContact O-N 3.03Å; E218-C222 VanDerWaalsContact O-N 3.07Å; E218-C222 PolarHBondContact O-SG 3.38Å; M219-C222 WeakPolarHBondContact O-CB 3.32Å; M219-C222 PolarHBondContact O-N 3.49Å; N220-C222 VanDerWaalsContact C-N 3.29Å; N220-C222 PolarHBondContact O-N 2.94Å; C222-I224 VanDerWaalsContact C-N 3.31Å; C222-I224 PolarHBondContact O-N 3.19Å; C222-R225 PolarHBondContact O-N 3.46Å; C222-V226 WeakPolarHBondContact O-CB 3.3Å; C222-V226 VanDerWaalsContact O-CG2 3.22Å; C222-V226 WeakPolarHBondContact O-CG2 3.45Å; C222-V226 PolarHBondContact O-N 3.08Å; C222-F247 HydrophobicContact CB-CD1 4.36Å; C222-F247 HydrophobicContact CB-CE1 3.46Å; C222-F247 VanDerWaalsContact CB-CE1 3.46Å; C222-F247 HydrophobicContact CB-CE2 4.19Å; C222-F247 HydrophobicContact CB-CZ 3.34Å
223Y98.5Very high97.2Very high74 Ų7456.9 Ų56.929%0.2929%0.286SS..Hα-helixtrans-59.3-42.1177.8-81.9-65000112.3M219 N220 D221 V226 D227 R246 F247 Q250M219-Y223 HydrophobicContact CG-CD2 3.86Å; M219-Y223 HydrophobicContact CG-CE2 3.53Å; M219-Y223 WeakPolarHBondContact O-CD2 3.4Å; M219-Y223 PolarHBondContact O-N 3.33Å; M219-Y223 HydrophobicContact SD-CE2 3.91Å; N220-Y223 WeakPolarHBondContact O-CB 3.34Å; N220-Y223 PolarHBondContact O-N 3.21Å; N220-Y223 VanDerWaalsContact O-N 3.12Å; D221-Y223 PolarHBondContact O-N 3.23Å; Y223-V226 PolarHBondContact O-N 3.3Å; Y223-D227 WeakPolarHBondContact O-CB 3.34Å; Y223-D227 PolarHBondContact O-N 3.27Å; Y223-R246 WeakPolarHBondContact OH-CD 3.47Å; Y223-F247 HydrophobicContact CD1-CD1 4.19Å; Y223-F247 AromaticContact CD1-CE1 3.99Å; Y223-F247 HydrophobicContact CD1-CE1 3.99Å; Y223-F247 HydrophobicContact CD2-CE1 4.23Å; Y223-F247 HydrophobicContact CE1-CD1 4.12Å; Y223-F247 AromaticContact CE1-CE1 3.97Å; Y223-F247 HydrophobicContact CE1-CE1 3.97Å; Y223-F247 HydrophobicContact CE2-CE1 4.24Å; Y223-F247 HydrophobicContact CG-CE1 4.09Å; Y223-Q250 PolarHBondContact O-NE2 3.37Å
224I98.6Very high97.4Very high86 Ų8648.8 Ų48.844%0.44125%0.246SC..Hα-helixtrans-62.3-48.8176-67.5164.8000110.4N220 D221 C222 V226 D227 E228N220-I224 WeakPolarHBondContact O-CG1 3.38Å; N220-I224 PolarHBondContact O-N 3Å; D221-I224 PolarHBondContact O-N 3.12Å; C222-I224 VanDerWaalsContact C-N 3.31Å; C222-I224 PolarHBondContact O-N 3.19Å; I224-V226 VanDerWaalsContact C-N 3.3Å; I224-V226 PolarHBondContact O-N 2.75Å; I224-D227 WeakPolarHBondContact O-CB 3.3Å; I224-D227 PolarHBondContact O-N 2.78Å; I224-D227 VanDerWaalsContact O-N 3.13Å; I224-E228 HydrophobicContact CG2-CG 4.49Å; I224-E228 WeakPolarHBondContact O-CG 3.29Å; I224-E228 PolarHBondContact O-N 2.86Å
225R98.5Very high97.6Very high78 Ų7847.5 Ų47.529%0.29424%0.239SC..Hα-helixtrans-62.5-36.6179.6-64.1-65.3178.1-144.8-2.7112.8V34 H114 W115 D221 C222 E228 A229V34-R225 WeakPolarHBondContact CG2-O 3.09Å; H114-R225 WeakPolarHBondContact NE2-CD 3.45Å; W115-R225 HydrophobicContact CB-CB 3.94Å; W115-R225 HydrophobicContact CB-CG 4.03Å; W115-R225 HydrophobicContact CD2-CG 3.91Å; W115-R225 HydrophobicContact CE3-CG 4.36Å; W115-R225 HydrophobicContact CG-CB 4.06Å; W115-R225 HydrophobicContact CG-CG 3.74Å; D221-R225 VanDerWaalsContact O-CG 3.22Å; D221-R225 WeakPolarHBondContact O-CG 3.31Å; D221-R225 PolarHBondContact O-N 2.91Å; C222-R225 PolarHBondContact O-N 3.46Å; R225-E228 IonicContact CZ-OE2 3.78Å; R225-E228 IonicContact NH1-OE1 2.76Å; R225-E228 IonicContact NH1-OE2 3.61Å; R225-E228 PolarHBondContact NH1-OE2 2.94Å; R225-A229 PolarHBondContact O-N 2.95Å; R225-A229 VanDerWaalsContact O-N 3.17Å
226V98.7Very high97.8Very high0 Ų044.9 Ų44.90%022%0.223CC..Hα-helixtrans-70-36.8175.6174.70000110.9V34 I117 C222 Y223 I224 A229 M232 F247 Q250 M251 K256V34-V226 HydrophobicContact CG1-CG2 4.34Å; I117-V226 HydrophobicContact CD1-CG2 3.95Å; C222-V226 WeakPolarHBondContact O-CB 3.3Å; C222-V226 VanDerWaalsContact O-CG2 3.22Å; C222-V226 WeakPolarHBondContact O-CG2 3.45Å; C222-V226 PolarHBondContact O-N 3.08Å; Y223-V226 PolarHBondContact O-N 3.3Å; I224-V226 VanDerWaalsContact C-N 3.3Å; I224-V226 PolarHBondContact O-N 2.75Å; V226-A229 WeakPolarHBondContact O-CB 3.42Å; V226-A229 PolarHBondContact O-N 3.23Å; V226-M232 HydrophobicContact CG1-CE 4.03Å; V226-M232 HydrophobicContact CG2-CE 3.86Å; V226-F247 HydrophobicContact CG2-CB 4.03Å; V226-F247 HydrophobicContact CG2-CD1 3.88Å; V226-F247 HydrophobicContact CG2-CG 4.18Å; V226-Q250 HydrophobicContact CG1-CB 4.24Å; V226-Q250 VanDerWaalsContact CG1-CD 3.44Å; V226-Q250 HydrophobicContact CG1-CG 4.03Å; V226-Q250 VanDerWaalsContact CG1-OE1 3.29Å; V226-M251 HydrophobicContact CG1-CG 3.8Å; V226-M251 HydrophobicContact CG1-SD 3.64Å; V226-K256 PolarHBondContact O-NZ 3.47Å
227D98.5Very high98Very high92 Ų9240.3 Ų40.349%0.49220%0.196SC..Hα-helixtrans-66.5-37.8174.2-166.764.5000112.7Y223 I224 A229 Q254 K256Y223-D227 WeakPolarHBondContact O-CB 3.34Å; Y223-D227 PolarHBondContact O-N 3.27Å; I224-D227 WeakPolarHBondContact O-CB 3.3Å; I224-D227 PolarHBondContact O-N 2.78Å; I224-D227 VanDerWaalsContact O-N 3.13Å; D227-A229 VanDerWaalsContact C-N 3.27Å; D227-A229 PolarHBondContact O-N 3.47Å; D227-Q254 PolarHBondContact OD1-NE2 2.95Å; D227-K256 PolarHBondContact O-NZ 3.24Å
228E98.5Very high98.1Very high77 Ų7736.1 Ų36.136%0.3618%0.179SC..Hα-helixtrans-68.7-24.9175.1-70.8175.5164.500113.2R32 H114 I224 R225R32-E228 WeakPolarHBondContact CD-O 3.39Å; R32-E228 PolarHBondContact NE-O 3.34Å; H114-E228 IonicContact CE1-OE2 3.24Å; H114-E228 PolarHBondContact CE1-OE2 3.39Å; H114-E228 IonicContact NE2-OE2 2.69Å; H114-E228 PolarHBondContact NE2-OE2 3.08Å; I224-E228 HydrophobicContact CG2-CG 4.49Å; I224-E228 WeakPolarHBondContact O-CG 3.29Å; I224-E228 PolarHBondContact O-N 2.86Å; R225-E228 IonicContact CZ-OE2 3.78Å; R225-E228 IonicContact NH1-OE1 2.76Å; R225-E228 IonicContact NH1-OE2 3.61Å; R225-E228 PolarHBondContact NH1-OE2 2.94Å
229A98.6Very high98.3Very high3 Ų331.6 Ų31.63%0.02516%0.158CC..  trans-69150.1-175.700000112.9R32 V34 R225 V226 D227 M251 K256R32-A229 VanDerWaalsContact O-CA 3.23Å; R32-A229 WeakPolarHBondContact O-CA 3.41Å; R32-A229 WeakPolarHBondContact O-CB 3.49Å; V34-A229 HydrophobicContact CB-CB 4.03Å; V34-A229 HydrophobicContact CG2-CB 3.52Å; R225-A229 PolarHBondContact O-N 2.95Å; R225-A229 VanDerWaalsContact O-N 3.17Å; V226-A229 WeakPolarHBondContact O-CB 3.42Å; V226-A229 PolarHBondContact O-N 3.23Å; D227-A229 VanDerWaalsContact C-N 3.27Å; D227-A229 PolarHBondContact O-N 3.47Å; A229-M251 HydrophobicContact CB-CE 4.22Å; A229-M251 HydrophobicContact CB-SD 4.31Å; A229-K256 VanDerWaalsContact O-CD 3.29Å; A229-K256 WeakPolarHBondContact O-CD 3.45Å; A229-K256 WeakPolarHBondContact O-CE 3.26Å; A229-K256 PolarHBondContact O-NZ 3.44Å
230D98.3Very high98.3Very high47 Ų4734 Ų3425%0.25117%0.168SC..SBendtrans-105.1-16.9170.957.722.7000113.4S30 K31 R32 P257S30-D230 WeakPolarHBondContact CA-OD1 3.02Å; S30-D230 VanDerWaalsContact CB-OD1 3.31Å; S30-D230 WeakPolarHBondContact CB-OD1 3.26Å; S30-D230 PolarHBondContact OG-OD1 2.76Å; K31-D230 WeakPolarHBondContact CA-OD2 3.03Å; K31-D230 PolarHBondContact N-OD1 3.46Å; K31-D230 PolarHBondContact N-OD2 3.05Å; R32-D230 VanDerWaalsContact C-OD1 3.3Å; R32-D230 VanDerWaalsContact N-CG 3.32Å; R32-D230 PolarHBondContact N-OD1 3.47Å; R32-D230 VanDerWaalsContact N-OD1 3.13Å; R32-D230 PolarHBondContact N-OD2 3.3Å; R32-D230 PolarHBondContact O-N 3.32Å; D230-P257 WeakPolarHBondContact O-CD 3.47Å
231A98.6Very high98.2Very high2 Ų232.3 Ų32.32%0.01716%0.161CC..EExtended strand (participates in β ladder)trans-152.2157.4172.400000110.6L33 V34 P257L33-A231 HydrophobicContact CD1-CB 4.03Å; V34-A231 PolarHBondContact N-O 3.09Å; A231-P257 WeakPolarHBondContact CA-O 3.4Å; A231-P257 HydrophobicContact CB-CB 4.19Å
232M98.8Very high98Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-122.6130.6174-179.6176.7-72.200111V34 M36 V226 V234 F247 V248 M251 P257 L259V34-M232 HydrophobicContact CG1-CE 4.08Å; V34-M232 CarbonylContact O-C 3.54Å; V34-M232 VanDerWaalsContact O-CA 3.26Å; V34-M232 WeakPolarHBondContact O-CA 3.19Å; M36-M232 HydrophobicContact CB-SD 4.26Å; V226-M232 HydrophobicContact CG1-CE 4.03Å; V226-M232 HydrophobicContact CG2-CE 3.86Å; M232-V234 HydrophobicContact CG-CG2 4.2Å; M232-V234 HydrophobicContact SD-CG2 4.21Å; M232-F247 HydrophobicContact CE-CB 3.85Å; M232-V248 HydrophobicContact SD-CG2 3.74Å; M232-M251 HydrophobicContact CB-CE 3.9Å; M232-M251 HydrophobicContact CB-CG 3.89Å; M232-M251 HydrophobicContact CE-CG 3.63Å; M232-M251 HydrophobicContact SD-CG 4.18Å; M232-P257 PolarHBondContact N-O 2.9Å; M232-L259 PolarHBondContact O-N 2.95Å
233L98.8Very high97.8Very high0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-105.9115.2170.4177.364.3000110.1L23 L27 L33 V34 V35 M36 W107 L235 L259 V261 M284L23-L233 HydrophobicContact CD1-CD1 4.27Å; L27-L233 HydrophobicContact CD2-CD2 4.35Å; L33-L233 HydrophobicContact CD1-CB 4.02Å; L33-L233 HydrophobicContact CD2-CB 4.37Å; L33-L233 HydrophobicContact CG-CB 4.47Å; V34-L233 PolarHBondContact O-N 3.23Å; V35-L233 CarbonylContact C-O 3.52Å; V35-L233 VanDerWaalsContact CA-O 3.31Å; V35-L233 WeakPolarHBondContact CA-O 3.32Å; V35-L233 HydrophobicContact CG2-CB 4.41Å; M36-L233 PolarHBondContact N-O 3.38Å; W107-L233 HydrophobicContact CH2-CD2 4.43Å; W107-L233 HydrophobicContact CZ3-CD2 3.91Å; L233-L235 HydrophobicContact CD1-CD2 3.88Å; L233-L235 HydrophobicContact CD2-CD1 4.15Å; L233-L235 HydrophobicContact CD2-CD2 4.03Å; L233-L235 HydrophobicContact CD2-CG 4.21Å; L233-L235 HydrophobicContact CG-CD1 4.41Å; L233-L235 HydrophobicContact CG-CD2 3.82Å; L233-L235 HydrophobicContact CG-CG 3.96Å; L233-L259 CarbonylContact C-O 3.35Å; L233-L259 WeakPolarHBondContact CA-O 3.21Å; L233-L259 HydrophobicContact CD1-CB 3.95Å; L233-V261 HydrophobicContact CD1-CG2 4.17Å; L233-M284 HydrophobicContact CD2-SD 4.25Å
234V98.9Very high97.6Very high0 Ų030.1 Ų30.10%016%0.155CC..EExtended strand (participates in β ladder)trans-96.7123.3175.1-173.70000109.5M36 M232 L239 V248 V258 L259 I260 V261M36-V234 HydrophobicContact CB-CG2 4.29Å; M36-V234 CarbonylContact O-C 3.51Å; M36-V234 VanDerWaalsContact O-CA 3.29Å; M36-V234 WeakPolarHBondContact O-CA 3.41Å; M232-V234 HydrophobicContact CG-CG2 4.2Å; M232-V234 HydrophobicContact SD-CG2 4.21Å; V234-L239 HydrophobicContact CG1-CD1 4.06Å; V234-L239 HydrophobicContact CG1-CD2 4.08Å; V234-L239 HydrophobicContact CG1-CG 4.17Å; V234-L239 HydrophobicContact CG2-CD1 4.45Å; V234-V248 HydrophobicContact CG2-CG2 3.88Å; V234-V258 HydrophobicContact CG2-CG1 4.46Å; V234-L259 PolarHBondContact N-O 3.45Å; V234-I260 HydrophobicContact CB-CG1 4.18Å; V234-I260 HydrophobicContact CG2-CG1 4.3Å; V234-V261 PolarHBondContact O-N 2.83Å
235L98.9Very high97.6Very high0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans-120.5122.6-179.9-58174000111.2V35 M36 T37 G38 I41 T100 L104 L233 S237 V261 M284V35-L235 HydrophobicContact CG1-CD1 4.07Å; M36-L235 PolarHBondContact O-N 2.95Å; T37-L235 WeakPolarHBondContact CA-O 3.4Å; T37-L235 HydrophobicContact CG2-CB 4.21Å; G38-L235 PolarHBondContact N-O 3.29Å; G38-L235 VanDerWaalsContact N-O 3.16Å; I41-L235 HydrophobicContact CD1-CB 4.32Å; I41-L235 HydrophobicContact CD1-CD1 4.45Å; T100-L235 HydrophobicContact CG2-CD1 4.2Å; L104-L235 HydrophobicContact CD1-CD1 3.81Å; L104-L235 HydrophobicContact CD2-CD1 3.97Å; L104-L235 HydrophobicContact CG-CD1 4.34Å; L233-L235 HydrophobicContact CD1-CD2 3.88Å; L233-L235 HydrophobicContact CD2-CD1 4.15Å; L233-L235 HydrophobicContact CD2-CD2 4.03Å; L233-L235 HydrophobicContact CD2-CG 4.21Å; L233-L235 HydrophobicContact CG-CD1 4.41Å; L233-L235 HydrophobicContact CG-CD2 3.82Å; L233-L235 HydrophobicContact CG-CG 3.96Å; L235-S237 VanDerWaalsContact C-N 3.35Å; L235-S237 PolarHBondContact O-N 3.23Å; L235-V261 WeakPolarHBondContact CA-O 3.48Å; L235-V261 HydrophobicContact CD2-CB 3.64Å; L235-V261 HydrophobicContact CD2-CG1 4.49Å; L235-V261 HydrophobicContact CD2-CG2 3.8Å; L235-M284 HydrophobicContact CD1-SD 4.23Å; L235-M284 HydrophobicContact CD2-SD 4.03Å
236G98.5Very high97.6Very high3 Ų328.1 Ų28.13%0.03114%0.142CC..SBendtrans61.339.1170.400000113.8G38 A39 G40 V261 N262 C280G38-G236 CarbonylContact C-O 3.57Å; G38-G236 WeakPolarHBondContact CA-O 3.4Å; A39-G236 PolarHBondContact N-O 2.99Å; G40-G236 WeakPolarHBondContact CA-O 3.33Å; G40-G236 PolarHBondContact N-O 2.84Å; G236-V261 PolarHBondContact N-O 2.89Å; G236-N262 WeakPolarHBondContact CA-OD1 3.36Å; G236-C280 PolarHBondContact N-SG 2.84Å; G236-C280 VanDerWaalsContact N-SG 3.44Å
237S98.6Very high97.6Very high6 Ų628.2 Ų28.24%0.04214%0.142CC..  trans-129.3128179.8-179.70000110.5Q119 L235 L239 N262 T266Q119-S237 PolarHBondContact NE2-OG 2.94Å; L235-S237 VanDerWaalsContact C-N 3.35Å; L235-S237 PolarHBondContact O-N 3.23Å; S237-L239 PolarHBondContact O-N 2.71Å; S237-L239 WeakPolarHBondContact OG-CD2 3.48Å; S237-L239 PolarHBondContact OG-N 3.22Å; S237-L239 VanDerWaalsContact OG-N 3.13Å; S237-N262 PolarHBondContact N-OD1 3.13Å; S237-T266 VanDerWaalsContact O-CG2 3.32Å; S237-T266 WeakPolarHBondContact O-CG2 3.49Å
238S97.3Very high97.6Very high24 Ų2423.8 Ų23.817%0.16812%0.119CC..  trans-75-11169.675.50000112.7R51 Q240 T266 R267R51-S238 WeakPolarHBondContact CD-OG 3.38Å; S238-Q240 PolarHBondContact O-N 3.5Å; S238-Q240 VanDerWaalsContact O-N 3.07Å; S238-Q240 VanDerWaalsContact OG-CG 3.32Å; S238-Q240 WeakPolarHBondContact OG-CG 3.46Å; S238-T266 WeakPolarHBondContact O-CA 3.48Å; S238-R267 PolarHBondContact O-N 3.34Å
239L98.1Very high97.6Very high0 Ų024.9 Ų24.90%012%0.12CC..  trans53.527.8-178.7-60.9165.8000114.4V234 S237 F245 V248 I260 R267 A268V234-L239 HydrophobicContact CG1-CD1 4.06Å; V234-L239 HydrophobicContact CG1-CD2 4.08Å; V234-L239 HydrophobicContact CG1-CG 4.17Å; V234-L239 HydrophobicContact CG2-CD1 4.45Å; S237-L239 PolarHBondContact O-N 2.71Å; S237-L239 WeakPolarHBondContact OG-CD2 3.48Å; S237-L239 PolarHBondContact OG-N 3.22Å; S237-L239 VanDerWaalsContact OG-N 3.13Å; L239-F245 HydrophobicContact CB-CD2 4.2Å; L239-V248 HydrophobicContact CD1-CG1 4.45Å; L239-V248 HydrophobicContact CD1-CG2 3.84Å; L239-V248 HydrophobicContact CD2-CG2 3.84Å; L239-V248 HydrophobicContact CG-CG2 4.5Å; L239-I260 HydrophobicContact CD1-CD1 4.34Å; L239-R267 HydrophobicContact CB-CB 4.3Å; L239-R267 WeakPolarHBondContact O-CB 3.5Å; L239-R267 WeakPolarHBondContact O-CD 3.22Å; L239-A268 HydrophobicContact CD1-CB 3.59Å
240Q96.3Very high97.6Very high88 Ų8826.1 Ų26.141%0.41113%0.126SC..  trans-76.5-26.9-178-71-66.7-17.300112.3S238S238-Q240 PolarHBondContact O-N 3.5Å; S238-Q240 VanDerWaalsContact O-N 3.07Å; S238-Q240 VanDerWaalsContact OG-CG 3.32Å; S238-Q240 WeakPolarHBondContact OG-CG 3.46Å
241V94.4Very high97.6Very high37 Ų3723.9 Ų23.922%0.22411%0.114CC..SBendtrans-82.9125.1176-174.80000109.2S243 G244 F245V241-S243 WeakPolarHBondContact CG1-OG 3.43Å; V241-S243 PolarHBondContact O-N 2.91Å; V241-G244 PolarHBondContact O-N 3.45Å; V241-F245 PolarHBondContact O-N 3.34Å
242L94Very high97.6Very high76 Ų7629 Ų2940%0.39813%0.133SC..Hα-helixtrans-60.2-31.6-171.1-176.259000113.3G244 F245 R246L242-G244 VanDerWaalsContact C-N 3.34Å; L242-G244 PolarHBondContact O-N 3.05Å; L242-F245 HydrophobicContact CD1-CD1 3.89Å; L242-F245 PolarHBondContact O-N 2.92Å; L242-R246 HydrophobicContact CD1-CG 4.05Å; L242-R246 HydrophobicContact CG-CG 4.14Å; L242-R246 VanDerWaalsContact O-CG 3.28Å; L242-R246 WeakPolarHBondContact O-CG 3.33Å; L242-R246 PolarHBondContact O-N 2.79Å
243S94Very high97.6Very high13 Ų1334.6 Ų34.69%0.09116%0.159CC..Hα-helixtrans-57.7-43.9-179.759.10000113H137 V241 F247H137-S243 PolarHBondContact NE2-OG 3.01Å; V241-S243 WeakPolarHBondContact CG1-OG 3.43Å; V241-S243 PolarHBondContact O-N 2.91Å; S243-F247 WeakPolarHBondContact O-CD2 3.27Å; S243-F247 WeakPolarHBondContact O-CE2 3.5Å
244G95.5Very high97.6Very high0 Ų038.1 Ų38.10%018%0.176CC..Hα-helixtrans-78.3-39.5176.100000112V241 L242 R246 F247V241-G244 PolarHBondContact O-N 3.45Å; L242-G244 VanDerWaalsContact C-N 3.34Å; L242-G244 PolarHBondContact O-N 3.05Å; G244-R246 VanDerWaalsContact C-N 3.28Å; G244-R246 PolarHBondContact O-N 3.43Å; G244-F247 PolarHBondContact O-N 3.29Å
245F98.4Very high97.5Very high18 Ų1841.5 Ų41.58%0.07921%0.21CC..Hα-helixtrans-58.9-35179.5-179-98.4000113.4L239 V241 L242 F247 V248 Y249 R267 A268 M271L239-F245 HydrophobicContact CB-CD2 4.2Å; V241-F245 PolarHBondContact O-N 3.34Å; L242-F245 HydrophobicContact CD1-CD1 3.89Å; L242-F245 PolarHBondContact O-N 2.92Å; F245-F247 PolarHBondContact O-N 2.88Å; F245-V248 WeakPolarHBondContact O-CB 3.38Å; F245-V248 PolarHBondContact O-N 3.36Å; F245-Y249 HydrophobicContact CE1-CD2 4.35Å; F245-Y249 PolarHBondContact O-N 2.93Å; F245-R267 HydrophobicContact CD2-CB 4.04Å; F245-R267 HydrophobicContact CD2-CG 3.87Å; F245-R267 HydrophobicContact CE2-CB 4.07Å; F245-R267 HydrophobicContact CE2-CG 3.64Å; F245-R267 HydrophobicContact CZ-CG 4.25Å; F245-A268 HydrophobicContact CD2-CB 4.33Å; F245-A268 HydrophobicContact CE2-CB 3.95Å; F245-M271 HydrophobicContact CE2-CE 4.4Å; F245-M271 HydrophobicContact CE2-SD 4.11Å; F245-M271 HydrophobicContact CZ-CE 3.71Å; F245-M271 HydrophobicContact CZ-SD 3.9Å
246R98Very high97.5Very high104 Ų10443.5 Ų43.539%0.39222%0.219SC..Hα-helixtrans-55.9-36.4179.7-81.5169.5179.8164.42.1113.5Y223 L242 G244 Y249 Q250Y223-R246 WeakPolarHBondContact OH-CD 3.47Å; L242-R246 HydrophobicContact CD1-CG 4.05Å; L242-R246 HydrophobicContact CG-CG 4.14Å; L242-R246 VanDerWaalsContact O-CG 3.28Å; L242-R246 WeakPolarHBondContact O-CG 3.33Å; L242-R246 PolarHBondContact O-N 2.79Å; G244-R246 VanDerWaalsContact C-N 3.28Å; G244-R246 PolarHBondContact O-N 3.43Å; R246-Y249 PolarHBondContact O-N 3.17Å; R246-Q250 PolarHBondContact O-N 2.79Å
247F98.6Very high97.5Very high2 Ų244.9 Ų44.91%0.00923%0.228CC..Hα-helixtrans-72.2-35.2178.6-57.7-58.6000112M36 I117 L136 C222 Y223 V226 M232 S243 G244 F245 Q250 M251M36-F247 HydrophobicContact CE-CB 3.97Å; M36-F247 HydrophobicContact CE-CD2 3.37Å; M36-F247 HydrophobicContact CE-CE2 4.19Å; M36-F247 HydrophobicContact CE-CG 4Å; I117-F247 HydrophobicContact CD1-CD2 4.5Å; L136-F247 HydrophobicContact CD1-CE2 3.92Å; L136-F247 HydrophobicContact CD1-CZ 4.17Å; L136-F247 HydrophobicContact CD2-CE2 3.83Å; C222-F247 HydrophobicContact CB-CD1 4.36Å; C222-F247 HydrophobicContact CB-CE1 3.46Å; C222-F247 VanDerWaalsContact CB-CE1 3.46Å; C222-F247 HydrophobicContact CB-CE2 4.19Å; C222-F247 HydrophobicContact CB-CZ 3.34Å; Y223-F247 HydrophobicContact CD1-CD1 4.19Å; Y223-F247 AromaticContact CD1-CE1 3.99Å; Y223-F247 HydrophobicContact CD1-CE1 3.99Å; Y223-F247 HydrophobicContact CD2-CE1 4.23Å; Y223-F247 HydrophobicContact CE1-CD1 4.12Å; Y223-F247 AromaticContact CE1-CE1 3.97Å; Y223-F247 HydrophobicContact CE1-CE1 3.97Å; Y223-F247 HydrophobicContact CE2-CE1 4.24Å; Y223-F247 HydrophobicContact CG-CE1 4.09Å; V226-F247 HydrophobicContact CG2-CB 4.03Å; V226-F247 HydrophobicContact CG2-CD1 3.88Å; V226-F247 HydrophobicContact CG2-CG 4.18Å; M232-F247 HydrophobicContact CE-CB 3.85Å; S243-F247 WeakPolarHBondContact O-CD2 3.27Å; S243-F247 WeakPolarHBondContact O-CE2 3.5Å; G244-F247 PolarHBondContact O-N 3.29Å; F245-F247 PolarHBondContact O-N 2.88Å; F247-Q250 PolarHBondContact O-N 2.92Å; F247-M251 WeakPolarHBondContact O-CG 3.35Å; F247-M251 PolarHBondContact O-N 3.02Å; F247-M251 VanDerWaalsContact O-N 3.16Å
248V98.7Very high97.6Very high0 Ų044.6 Ų44.60%023%0.226CC..Hα-helixtrans-66.9-43.7173.1177.70000110.6M232 V234 L239 F245 Q250 M251 Y252 V258 A268M232-V248 HydrophobicContact SD-CG2 3.74Å; V234-V248 HydrophobicContact CG2-CG2 3.88Å; L239-V248 HydrophobicContact CD1-CG1 4.45Å; L239-V248 HydrophobicContact CD1-CG2 3.84Å; L239-V248 HydrophobicContact CD2-CG2 3.84Å; L239-V248 HydrophobicContact CG-CG2 4.5Å; F245-V248 WeakPolarHBondContact O-CB 3.38Å; F245-V248 PolarHBondContact O-N 3.36Å; V248-Q250 VanDerWaalsContact C-N 3.33Å; V248-Q250 PolarHBondContact O-N 3.44Å; V248-M251 PolarHBondContact O-N 3.5Å; V248-Y252 PolarHBondContact O-N 2.92Å; V248-V258 HydrophobicContact CG1-CG1 3.76Å; V248-V258 HydrophobicContact CG1-CG2 4.25Å; V248-A268 HydrophobicContact CG1-CB 3.62Å
249Y98.6Very high97.6Very high99 Ų9943.4 Ų43.439%0.38822%0.218SC..Hα-helixtrans-60.2-42.2175.7-173.3-95.5000111.9F245 R246 M251 Y252 E253 M271F245-Y249 HydrophobicContact CE1-CD2 4.35Å; F245-Y249 PolarHBondContact O-N 2.93Å; R246-Y249 PolarHBondContact O-N 3.17Å; Y249-M251 PolarHBondContact O-N 3.41Å; Y249-Y252 PolarHBondContact O-N 2.78Å; Y249-E253 HydrophobicContact CD1-CG 3.82Å; Y249-E253 HydrophobicContact CE1-CG 3.33Å; Y249-E253 HydrophobicContact CE2-CG 4.32Å; Y249-E253 HydrophobicContact CG-CG 4.47Å; Y249-E253 WeakPolarHBondContact O-CG 3.49Å; Y249-E253 PolarHBondContact O-N 3.35Å; Y249-E253 VanDerWaalsContact OH-CD 3.23Å; Y249-E253 PolarHBondContact OH-OE2 3.27Å; Y249-M271 HydrophobicContact CD2-CE 3.83Å; Y249-M271 HydrophobicContact CD2-SD 4.27Å; Y249-M271 HydrophobicContact CE2-CE 4.26Å
250Q98.5Very high97.7Very high29 Ų2943.4 Ų43.414%0.13622%0.218CC..Hα-helixtrans-58.7-46.5174.7179.3-173.9-5.800112.1Y223 V226 R246 F247 V248 Y252 E253 Q254Y223-Q250 PolarHBondContact O-NE2 3.37Å; V226-Q250 HydrophobicContact CG1-CB 4.24Å; V226-Q250 VanDerWaalsContact CG1-CD 3.44Å; V226-Q250 HydrophobicContact CG1-CG 4.03Å; V226-Q250 VanDerWaalsContact CG1-OE1 3.29Å; R246-Q250 PolarHBondContact O-N 2.79Å; F247-Q250 PolarHBondContact O-N 2.92Å; V248-Q250 VanDerWaalsContact C-N 3.33Å; V248-Q250 PolarHBondContact O-N 3.44Å; Q250-Y252 VanDerWaalsContact C-N 3.31Å; Q250-Y252 PolarHBondContact O-N 3.07Å; Q250-E253 PolarHBondContact O-N 3.34Å; Q250-Q254 WeakPolarHBondContact O-CB 3.4Å; Q250-Q254 VanDerWaalsContact O-CG 3.25Å; Q250-Q254 WeakPolarHBondContact O-CG 3.35Å; Q250-Q254 PolarHBondContact O-N 3Å
251M98.7Very high97.8Very high0 Ų039.2 Ų39.20%020%0.198CC..Hα-helixtrans-59.8-43.8177.6-69.2-63.3-74.200111.7V226 A229 M232 F247 V248 Y249 Q254 G255 K256 V258V226-M251 HydrophobicContact CG1-CG 3.8Å; V226-M251 HydrophobicContact CG1-SD 3.64Å; A229-M251 HydrophobicContact CB-CE 4.22Å; A229-M251 HydrophobicContact CB-SD 4.31Å; M232-M251 HydrophobicContact CB-CE 3.9Å; M232-M251 HydrophobicContact CB-CG 3.89Å; M232-M251 HydrophobicContact CE-CG 3.63Å; M232-M251 HydrophobicContact SD-CG 4.18Å; F247-M251 WeakPolarHBondContact O-CG 3.35Å; F247-M251 PolarHBondContact O-N 3.02Å; F247-M251 VanDerWaalsContact O-N 3.16Å; V248-M251 PolarHBondContact O-N 3.5Å; Y249-M251 PolarHBondContact O-N 3.41Å; M251-Q254 PolarHBondContact O-N 3.41Å; M251-G255 PolarHBondContact O-N 2.93Å; M251-K256 HydrophobicContact CB-CB 4.49Å; M251-K256 HydrophobicContact CE-CB 3.46Å; M251-K256 VanDerWaalsContact CE-CB 3.46Å; M251-K256 HydrophobicContact CE-CD 3.75Å; M251-K256 HydrophobicContact CE-CG 4.27Å; M251-K256 PolarHBondContact O-N 3.03Å; M251-K256 HydrophobicContact SD-CB 4.18Å; M251-K256 HydrophobicContact SD-CD 3.75Å; M251-V258 HydrophobicContact CB-CG2 3.67Å
252Y98.5Very high98Very high109 Ų10938 Ų3843%0.42719%0.19SC..Hα-helixtrans-61.3-49.1177.7174.4-98.5000112.3V248 Y249 Q250 Q254 G255 M271V248-Y252 PolarHBondContact O-N 2.92Å; Y249-Y252 PolarHBondContact O-N 2.78Å; Q250-Y252 VanDerWaalsContact C-N 3.31Å; Q250-Y252 PolarHBondContact O-N 3.07Å; Y252-Q254 PolarHBondContact O-N 2.98Å; Y252-G255 PolarHBondContact O-N 3.41Å; Y252-M271 HydrophobicContact CD1-CG 4.26Å; Y252-M271 HydrophobicContact CD2-CB 3.68Å; Y252-M271 HydrophobicContact CD2-CG 3.85Å; Y252-M271 HydrophobicContact CE2-CB 4.29Å; Y252-M271 HydrophobicContact CE2-CG 4.22Å; Y252-M271 HydrophobicContact CG-CB 3.99Å; Y252-M271 HydrophobicContact CG-CG 3.87Å; Y252-M271 HydrophobicContact CG-SD 4.38Å
253E98.3Very high98.1Very high118 Ų11836.1 Ų36.155%0.55118%0.18SC*.Hα-helixtrans-63.4-28.6178.4-68.9-74.18300112.6Y249 Q250 G255Y249-E253 HydrophobicContact CD1-CG 3.82Å; Y249-E253 HydrophobicContact CE1-CG 3.33Å; Y249-E253 HydrophobicContact CE2-CG 4.32Å; Y249-E253 HydrophobicContact CG-CG 4.47Å; Y249-E253 WeakPolarHBondContact O-CG 3.49Å; Y249-E253 PolarHBondContact O-N 3.35Å; Y249-E253 VanDerWaalsContact OH-CD 3.23Å; Y249-E253 PolarHBondContact OH-OE2 3.27Å; Q250-E253 PolarHBondContact O-N 3.34Å; E253-G255 PolarHBondContact O-N 3.28Å
254Q98.3Very high98.1Very high75 Ų7537.4 Ų37.435%0.3520%0.196SC..THydrogen-bonded Turntrans-82.40.3174.9-67.8-179.6-11.400113.1D227 Q250 M251 Y252 K256D227-Q254 PolarHBondContact OD1-NE2 2.95Å; Q250-Q254 WeakPolarHBondContact O-CB 3.4Å; Q250-Q254 VanDerWaalsContact O-CG 3.25Å; Q250-Q254 WeakPolarHBondContact O-CG 3.35Å; Q250-Q254 PolarHBondContact O-N 3Å; M251-Q254 PolarHBondContact O-N 3.41Å; Y252-Q254 PolarHBondContact O-N 2.98Å; Q254-K256 HydrophobicContact CB-CD 3.97Å; Q254-K256 HydrophobicContact CB-CG 4Å; Q254-K256 PolarHBondContact O-N 3.44Å
255G98.3Very high98.1Very high70 Ų7040 Ų4072%0.72222%0.222SC*.THydrogen-bonded Turntrans66.921.9-177.800000113.8M251 Y252 E253M251-G255 PolarHBondContact O-N 2.93Å; Y252-G255 PolarHBondContact O-N 3.41Å; E253-G255 PolarHBondContact O-N 3.28Å
256K98.7Very high98Very high42 Ų4239.7 Ų39.718%0.18322%0.222CC..  trans-93142.5-177.3-64.1173.3176.8176.60111V226 D227 A229 M251 Q254 V258V226-K256 PolarHBondContact O-NZ 3.47Å; D227-K256 PolarHBondContact O-NZ 3.24Å; A229-K256 VanDerWaalsContact O-CD 3.29Å; A229-K256 WeakPolarHBondContact O-CD 3.45Å; A229-K256 WeakPolarHBondContact O-CE 3.26Å; A229-K256 PolarHBondContact O-NZ 3.44Å; M251-K256 HydrophobicContact CB-CB 4.49Å; M251-K256 HydrophobicContact CE-CB 3.46Å; M251-K256 VanDerWaalsContact CE-CB 3.46Å; M251-K256 HydrophobicContact CE-CD 3.75Å; M251-K256 HydrophobicContact CE-CG 4.27Å; M251-K256 PolarHBondContact O-N 3.03Å; M251-K256 HydrophobicContact SD-CB 4.18Å; M251-K256 HydrophobicContact SD-CD 3.75Å; Q254-K256 HydrophobicContact CB-CD 3.97Å; Q254-K256 HydrophobicContact CB-CG 4Å; Q254-K256 PolarHBondContact O-N 3.44Å; K256-V258 PolarHBondContact O-N 3.07Å
257P98.7Very high98Very high32 Ų3240.3 Ų40.321%0.20822%0.224CC..  trans-55130-179.7-29.634.6000114.7D230 A231 M232 T273D230-P257 WeakPolarHBondContact O-CD 3.47Å; A231-P257 WeakPolarHBondContact CA-O 3.4Å; A231-P257 HydrophobicContact CB-CB 4.19Å; M232-P257 PolarHBondContact N-O 2.9Å; P257-T273 VanDerWaalsContact CA-OG1 3.29Å; P257-T273 WeakPolarHBondContact CA-OG1 3.35Å; P257-T273 HydrophobicContact CB-CG2 4.39Å
258V98.9Very high98Very high0 Ų040.3 Ų40.30%022%0.224CC..EExtended strand (participates in β ladder)trans-113116.3170.8177.20000108.4V234 V248 M251 K256 I260 A272 T273 V274V234-V258 HydrophobicContact CG2-CG1 4.46Å; V248-V258 HydrophobicContact CG1-CG1 3.76Å; V248-V258 HydrophobicContact CG1-CG2 4.25Å; M251-V258 HydrophobicContact CB-CG2 3.67Å; K256-V258 PolarHBondContact O-N 3.07Å; V258-I260 HydrophobicContact CG1-CD1 4.24Å; V258-I260 HydrophobicContact CG1-CG1 3.97Å; V258-A272 CarbonylContact O-C 3.58Å; V258-T273 PolarHBondContact N-OG1 2.65Å; V258-T273 VanDerWaalsContact N-OG1 3.07Å; V258-T273 WeakPolarHBondContact O-CB 3.46Å; V258-T273 PolarHBondContact O-N 3.37Å; V258-V274 PolarHBondContact O-N 2.55Å
259L98.8Very high98Very high0 Ų042.7 Ų42.70%024%0.237CC..EExtended strand (participates in β ladder)trans-110.2122.3-177.3-50.2175.4000108.3L23 E26 L27 M232 L233 V234 V274L23-L259 HydrophobicContact CD1-CB 3.79Å; L23-L259 HydrophobicContact CD1-CD1 4.05Å; L23-L259 HydrophobicContact CD1-CD2 4.46Å; L23-L259 HydrophobicContact CD1-CG 4.31Å; E26-L259 HydrophobicContact CB-CD1 3.89Å; E26-L259 HydrophobicContact CB-CD2 3.49Å; E26-L259 VanDerWaalsContact CB-CD2 3.49Å; E26-L259 HydrophobicContact CB-CG 4.31Å; E26-L259 HydrophobicContact CG-CD2 3.87Å; L27-L259 HydrophobicContact CD2-CD1 3.76Å; L27-L259 HydrophobicContact CG-CD1 3.93Å; M232-L259 PolarHBondContact O-N 2.95Å; L233-L259 CarbonylContact C-O 3.35Å; L233-L259 WeakPolarHBondContact CA-O 3.21Å; L233-L259 HydrophobicContact CD1-CB 3.95Å; V234-L259 PolarHBondContact N-O 3.45Å; L259-V274 WeakPolarHBondContact CA-O 3.25Å; L259-V274 HydrophobicContact CD2-CB 3.9Å; L259-V274 HydrophobicContact CD2-CG2 3.97Å
260I98.9Very high98Very high0 Ų046 Ų460%026%0.261CS..EExtended strand (participates in β ladder)trans-117.9127-175.1-56.7-172.1000110.1V234 L239 V258 N262 T266 A268 A272 V274 K275 V276V234-I260 HydrophobicContact CB-CG1 4.18Å; V234-I260 HydrophobicContact CG2-CG1 4.3Å; L239-I260 HydrophobicContact CD1-CD1 4.34Å; V258-I260 HydrophobicContact CG1-CD1 4.24Å; V258-I260 HydrophobicContact CG1-CG1 3.97Å; I260-N262 HydrophobicContact CG2-CB 4.08Å; I260-T266 HydrophobicContact CG2-CG2 3.82Å; I260-A268 HydrophobicContact CD1-CB 4.13Å; I260-A272 HydrophobicContact CD1-CB 3.79Å; I260-A272 HydrophobicContact CG1-CB 3.99Å; I260-V274 PolarHBondContact N-O 3.11Å; I260-K275 HydrophobicContact CB-CB 4.47Å; I260-K275 HydrophobicContact CB-CG 4.29Å; I260-K275 HydrophobicContact CG2-CG 4.39Å; I260-K275 CarbonylContact O-C 3.52Å; I260-K275 VanDerWaalsContact O-CA 3.3Å; I260-K275 WeakPolarHBondContact O-CA 3.44Å; I260-V276 PolarHBondContact O-N 3.02Å
261V98.8Very high98Very high0 Ų046.5 Ų46.50%026%0.264CS..EExtended strand (participates in β ladder)trans-118109165.4-173.90000108.2L23 L233 V234 L235 G236 V276 V283L23-V261 HydrophobicContact CD2-CG2 3.91Å; L233-V261 HydrophobicContact CD1-CG2 4.17Å; V234-V261 PolarHBondContact O-N 2.83Å; L235-V261 WeakPolarHBondContact CA-O 3.48Å; L235-V261 HydrophobicContact CD2-CB 3.64Å; L235-V261 HydrophobicContact CD2-CG1 4.49Å; L235-V261 HydrophobicContact CD2-CG2 3.8Å; G236-V261 PolarHBondContact N-O 2.89Å; V261-V276 WeakPolarHBondContact CA-O 3.4Å; V261-V276 HydrophobicContact CG2-CB 4.39Å; V261-V283 HydrophobicContact CG1-CB 3.8Å; V261-V283 HydrophobicContact CG1-CG1 4.05Å; V261-V283 HydrophobicContact CG1-CG2 3.7Å; V261-V283 HydrophobicContact CG2-CB 4.48Å; V261-V283 HydrophobicContact CG2-CG1 3.82Å
262N98.5Very high98Very high11 Ų1147.7 Ų47.76%0.05927%0.274CS..  trans-154.1144-179.4-172.762000110.6G236 S237 I260 G264 T266 V276 S277G236-N262 WeakPolarHBondContact CA-OD1 3.36Å; S237-N262 PolarHBondContact N-OD1 3.13Å; I260-N262 HydrophobicContact CG2-CB 4.08Å; N262-G264 PolarHBondContact ND2-O 2.97Å; N262-G264 PolarHBondContact O-N 3.35Å; N262-T266 HydrophobicContact CB-CG2 3.83Å; N262-V276 PolarHBondContact N-O 2.92Å; N262-S277 WeakPolarHBondContact O-CA 3.24Å
263I96.6Very high98Very high36 Ų3645 Ų4519%0.18527%0.269CS..SBendtrans-76.8121.1168.7-55.2168.7000108.1V9 P10 H12 K279V9-I263 HydrophobicContact CG1-CD1 4Å; P10-I263 HydrophobicContact CB-CG2 4.35Å; P10-I263 HydrophobicContact CG-CB 3.94Å; P10-I263 HydrophobicContact CG-CD1 3.66Å; P10-I263 HydrophobicContact CG-CG1 4.41Å; P10-I263 HydrophobicContact CG-CG2 3.66Å; H12-I263 HydrophobicContact CB-CD1 4.06Å; H12-I263 HydrophobicContact CB-CG1 4.05Å; H12-I263 HydrophobicContact CB-CG2 3.83Å; I263-K279 HydrophobicContact CD1-CB 3.98Å; I263-K279 HydrophobicContact CG1-CB 4.49Å
264G93.4Very high98Very high41 Ų4139.6 Ų39.642%0.42324%0.244SC..SBendtrans81.7-169179.700000114.7N262 K275N262-G264 PolarHBondContact ND2-O 2.97Å; N262-G264 PolarHBondContact O-N 3.35Å; G264-K275 WeakPolarHBondContact O-CE 3.36Å; G264-K275 PolarHBondContact O-NZ 3.4Å
265G95.1Very high98Very high53 Ų5337.9 Ų37.955%0.54624%0.235SC..  trans-68.4149.9-176.400000113.8D269G265-D269 WeakPolarHBondContact CA-OD2 3.22Å
266T98Very high98Very high12 Ų1234.6 Ų34.67%0.07420%0.201CC..  trans-124159.9166.882.10000110.1S237 S238 I260 N262 A268 D269S237-T266 VanDerWaalsContact O-CG2 3.32Å; S237-T266 WeakPolarHBondContact O-CG2 3.49Å; S238-T266 WeakPolarHBondContact O-CA 3.48Å; I260-T266 HydrophobicContact CG2-CG2 3.82Å; N262-T266 HydrophobicContact CB-CG2 3.83Å; T266-A268 PolarHBondContact O-N 3.13Å; T266-A268 VanDerWaalsContact O-N 3.17Å; T266-A268 PolarHBondContact OG1-N 3.37Å; T266-D269 WeakPolarHBondContact CB-OD1 3.48Å; T266-D269 VanDerWaalsContact N-CG 3.33Å; T266-D269 PolarHBondContact N-OD1 2.91Å; T266-D269 PolarHBondContact N-OD2 3.4Å; T266-D269 VanDerWaalsContact O-CG 3.3Å; T266-D269 PolarHBondContact O-N 3.49Å; T266-D269 PolarHBondContact OG1-N 2.86Å; T266-D269 PolarHBondContact OG1-OD1 2.61Å
267R97.9Very high98Very high118 Ų11835.3 Ų35.345%0.44521%0.211SC..THydrogen-bonded Turntrans-62.8-17.1173.5-171.2177.4171.3164.70.5113.2S238 L239 F245S238-R267 PolarHBondContact O-N 3.34Å; L239-R267 HydrophobicContact CB-CB 4.3Å; L239-R267 WeakPolarHBondContact O-CB 3.5Å; L239-R267 WeakPolarHBondContact O-CD 3.22Å; F245-R267 HydrophobicContact CD2-CB 4.04Å; F245-R267 HydrophobicContact CD2-CG 3.87Å; F245-R267 HydrophobicContact CE2-CB 4.07Å; F245-R267 HydrophobicContact CE2-CG 3.64Å; F245-R267 HydrophobicContact CZ-CG 4.25Å
268A98Very high97.9Very high1 Ų133.8 Ų33.81%0.00820%0.202CC..THydrogen-bonded Turntrans-113.520.3-173.500000113L239 F245 V248 I260 T266 D270 M271 A272L239-A268 HydrophobicContact CD1-CB 3.59Å; F245-A268 HydrophobicContact CD2-CB 4.33Å; F245-A268 HydrophobicContact CE2-CB 3.95Å; V248-A268 HydrophobicContact CG1-CB 3.62Å; I260-A268 HydrophobicContact CD1-CB 4.13Å; T266-A268 PolarHBondContact O-N 3.13Å; T266-A268 VanDerWaalsContact O-N 3.17Å; T266-A268 PolarHBondContact OG1-N 3.37Å; A268-D270 VanDerWaalsContact C-N 3.28Å; A268-D270 PolarHBondContact O-N 3.03Å; A268-M271 HydrophobicContact CB-CB 4.35Å; A268-M271 HydrophobicContact CB-SD 4.31Å; A268-M271 WeakPolarHBondContact O-CB 3.47Å; A268-M271 PolarHBondContact O-N 3.04Å; A268-A272 PolarHBondContact O-N 3.38Å
269D98.5Very high97.7Very high51 Ų5136.7 Ų36.727%0.27321%0.214SC..G310 helixtrans-57.8-41.4-178.4-73-10.9000111.8G265 T266 M271 A272 K275G265-D269 WeakPolarHBondContact CA-OD2 3.22Å; T266-D269 WeakPolarHBondContact CB-OD1 3.48Å; T266-D269 VanDerWaalsContact N-CG 3.33Å; T266-D269 PolarHBondContact N-OD1 2.91Å; T266-D269 PolarHBondContact N-OD2 3.4Å; T266-D269 VanDerWaalsContact O-CG 3.3Å; T266-D269 PolarHBondContact O-N 3.49Å; T266-D269 PolarHBondContact OG1-N 2.86Å; T266-D269 PolarHBondContact OG1-OD1 2.61Å; D269-M271 PolarHBondContact O-N 3.49Å; D269-A272 WeakPolarHBondContact O-CB 3.39Å; D269-A272 PolarHBondContact O-N 2.96Å; D269-K275 WeakPolarHBondContact OD1-CD 3.43Å; D269-K275 WeakPolarHBondContact OD1-CE 3.47Å; D269-K275 IonicContact OD1-NZ 2.89Å; D269-K275 PolarHBondContact OD1-NZ 3.05Å; D269-K275 IonicContact OD2-NZ 2.73Å; D269-K275 PolarHBondContact OD2-NZ 2.82Å
270D98.1Very high97.7Very high167 Ų16736.9 Ų36.989%0.89322%0.216SC*.G310 helixtrans-71.9-12177.9-59-32000113.7A268A268-D270 VanDerWaalsContact C-N 3.28Å; A268-D270 PolarHBondContact O-N 3.03Å
271M98.3Very high97.5Very high40 Ų4037.5 Ų37.520%0.19722%0.22CC..G310 helixtrans-98.2-9176.7-60.5172.1-17600112F245 Y249 Y252 A268 D269F245-M271 HydrophobicContact CE2-CE 4.4Å; F245-M271 HydrophobicContact CE2-SD 4.11Å; F245-M271 HydrophobicContact CZ-CE 3.71Å; F245-M271 HydrophobicContact CZ-SD 3.9Å; Y249-M271 HydrophobicContact CD2-CE 3.83Å; Y249-M271 HydrophobicContact CD2-SD 4.27Å; Y249-M271 HydrophobicContact CE2-CE 4.26Å; Y252-M271 HydrophobicContact CD1-CG 4.26Å; Y252-M271 HydrophobicContact CD2-CB 3.68Å; Y252-M271 HydrophobicContact CD2-CG 3.85Å; Y252-M271 HydrophobicContact CE2-CB 4.29Å; Y252-M271 HydrophobicContact CE2-CG 4.22Å; Y252-M271 HydrophobicContact CG-CB 3.99Å; Y252-M271 HydrophobicContact CG-CG 3.87Å; Y252-M271 HydrophobicContact CG-SD 4.38Å; A268-M271 HydrophobicContact CB-CB 4.35Å; A268-M271 HydrophobicContact CB-SD 4.31Å; A268-M271 WeakPolarHBondContact O-CB 3.47Å; A268-M271 PolarHBondContact O-N 3.04Å; D269-M271 PolarHBondContact O-N 3.49Å
272A98.6Very high97.4Very high25 Ų2538.9 Ų38.921%0.20723%0.228CC..  trans-77127.9-174.400000111.3V258 I260 A268 D269 K275V258-A272 CarbonylContact O-C 3.58Å; I260-A272 HydrophobicContact CD1-CB 3.79Å; I260-A272 HydrophobicContact CG1-CB 3.99Å; A268-A272 PolarHBondContact O-N 3.38Å; D269-A272 WeakPolarHBondContact O-CB 3.39Å; D269-A272 PolarHBondContact O-N 2.96Å; A272-K275 HydrophobicContact CB-CB 4.31Å
273T98.7Very high97.3Very high54 Ų5438.3 Ų38.333%0.33123%0.225SC..SBendtrans-67.8-42.3168-49.40000110.6R22 E26 P257 V258R22-T273 PolarHBondContact NH2-O 2.67Å; E26-T273 HydrophobicContact CG-CG2 4.32Å; P257-T273 VanDerWaalsContact CA-OG1 3.29Å; P257-T273 WeakPolarHBondContact CA-OG1 3.35Å; P257-T273 HydrophobicContact CB-CG2 4.39Å; V258-T273 PolarHBondContact N-OG1 2.65Å; V258-T273 VanDerWaalsContact N-OG1 3.07Å; V258-T273 WeakPolarHBondContact O-CB 3.46Å; V258-T273 PolarHBondContact O-N 3.37Å
274V98.6Very high97.3Very high3 Ų336.8 Ų36.82%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-139.9135.7173.4-175.80000108.6D19 R22 L23 E26 V258 L259 I260 V276D19-V274 WeakPolarHBondContact O-CG1 3.3Å; R22-V274 HydrophobicContact CB-CG1 4.07Å; R22-V274 HydrophobicContact CB-CG2 3.82Å; L23-V274 HydrophobicContact CB-CG1 4.05Å; E26-V274 HydrophobicContact CG-CG2 3.89Å; V258-V274 PolarHBondContact O-N 2.55Å; L259-V274 WeakPolarHBondContact CA-O 3.25Å; L259-V274 HydrophobicContact CD2-CB 3.9Å; L259-V274 HydrophobicContact CD2-CG2 3.97Å; I260-V274 PolarHBondContact N-O 3.11Å; V274-V276 HydrophobicContact CG1-CG2 4.39Å
275K98.5Very high97.3Very high40 Ų4040.7 Ų40.717%0.17422%0.224CC..EExtended strand (participates in β ladder)trans-125.1123.8170.5179.8179.5176.1177.90110I260 G264 D269 A272 S277I260-K275 HydrophobicContact CB-CB 4.47Å; I260-K275 HydrophobicContact CB-CG 4.29Å; I260-K275 HydrophobicContact CG2-CG 4.39Å; I260-K275 CarbonylContact O-C 3.52Å; I260-K275 VanDerWaalsContact O-CA 3.3Å; I260-K275 WeakPolarHBondContact O-CA 3.44Å; G264-K275 WeakPolarHBondContact O-CE 3.36Å; G264-K275 PolarHBondContact O-NZ 3.4Å; D269-K275 WeakPolarHBondContact OD1-CD 3.43Å; D269-K275 WeakPolarHBondContact OD1-CE 3.47Å; D269-K275 IonicContact OD1-NZ 2.89Å; D269-K275 PolarHBondContact OD1-NZ 3.05Å; D269-K275 IonicContact OD2-NZ 2.73Å; D269-K275 PolarHBondContact OD2-NZ 2.82Å; A272-K275 HydrophobicContact CB-CB 4.31Å; K275-S277 WeakPolarHBondContact CE-OG 3.38Å
276V98.6Very high97.2Very high0 Ų041.5 Ų41.50%022%0.216CC..EExtended strand (participates in β ladder)trans-105.8113.5170.6-173.30000108.9P15 D19 L23 I260 V261 N262 V274 S278 V283P15-V276 HydrophobicContact CB-CG1 3.48Å; P15-V276 VanDerWaalsContact CB-CG1 3.48Å; D19-V276 HydrophobicContact CB-CG2 4.01Å; L23-V276 HydrophobicContact CB-CG2 3.93Å; L23-V276 HydrophobicContact CD2-CG2 3.69Å; L23-V276 HydrophobicContact CG-CG2 4.35Å; I260-V276 PolarHBondContact O-N 3.02Å; V261-V276 WeakPolarHBondContact CA-O 3.4Å; V261-V276 HydrophobicContact CG2-CB 4.39Å; N262-V276 PolarHBondContact N-O 2.92Å; V274-V276 HydrophobicContact CG1-CG2 4.39Å; V276-S278 PolarHBondContact O-N 3Å; V276-V283 HydrophobicContact CB-CG2 4.39Å; V276-V283 HydrophobicContact CG1-CG1 4.33Å; V276-V283 HydrophobicContact CG1-CG2 3.59Å
277S97.7Very high96.9Very high57 Ų5741 Ų4140%0.39921%0.213SC..  trans-8882.6179.9-60.50000111N262 K275N262-S277 WeakPolarHBondContact O-CA 3.24Å; K275-S277 WeakPolarHBondContact CE-OG 3.38Å
278S97.2Very high95.5Very high1 Ų141.3 Ų41.31%0.00722%0.223CC..SBendtrans-159.2169.8-180173.80000110.5V276V276-S278 PolarHBondContact O-N 3Å
279K95.3Very high93.7Very high60 Ų6043.6 Ų43.626%0.26124%0.235SC..  trans-61.4145.3170.163.2173.1159131.30111.6H12 E44 I263 T281 T282 V283H12-K279 VanDerWaalsContact NE2-CD 3.33Å; H12-K279 WeakPolarHBondContact NE2-CD 3.31Å; H12-K279 VanDerWaalsContact NE2-CE 3.31Å; H12-K279 WeakPolarHBondContact NE2-CE 3.16Å; H12-K279 WeakPolarHBondContact NE2-CG 3.47Å; E44-K279 WeakPolarHBondContact OE1-CD 3.46Å; I263-K279 HydrophobicContact CD1-CB 3.98Å; I263-K279 HydrophobicContact CG1-CB 4.49Å; K279-T281 PolarHBondContact O-N 3.44Å; K279-T282 WeakPolarHBondContact CE-OG1 3.39Å; K279-T282 PolarHBondContact NZ-OG1 3.41Å; K279-V283 PolarHBondContact O-N 3.3Å
280C97.5Very high91.5Very high5 Ų545.3 Ų45.33%0.03425%0.247CC..Hα-helixtrans-62.6-47.4-172.8-71.10000111.5I41 T100 G236 T282 V283 M284I41-C280 HydrophobicContact CG1-CB 4.47Å; T100-C280 HydrophobicContact CG2-CB 4.11Å; G236-C280 PolarHBondContact N-SG 2.84Å; G236-C280 VanDerWaalsContact N-SG 3.44Å; C280-T282 VanDerWaalsContact C-N 3.35Å; C280-T282 PolarHBondContact O-N 3.13Å; C280-V283 PolarHBondContact O-N 3.35Å; C280-V283 VanDerWaalsContact O-N 3.15Å; C280-M284 WeakPolarHBondContact O-CB 3.43Å; C280-M284 WeakPolarHBondContact O-CG 3.38Å; C280-M284 PolarHBondContact O-N 3.26Å
281T95.9Very high89.2Confident13 Ų1345.5 Ų45.58%0.0824%0.243CC..Hα-helixtrans-60.1-44.2-175.6-61.40000112E44 A99 T100 K279 V283 M284 E285E44-T281 WeakPolarHBondContact OE1-CB 3.36Å; E44-T281 PolarHBondContact OE1-OG1 3.34Å; E44-T281 VanDerWaalsContact OE1-OG1 3.12Å; E44-T281 VanDerWaalsContact OE2-CB 3.28Å; E44-T281 WeakPolarHBondContact OE2-CB 3.23Å; E44-T281 PolarHBondContact OE2-N 3.02Å; E44-T281 PolarHBondContact OE2-OG1 2.68Å; A99-T281 HydrophobicContact CB-CG2 3.74Å; T100-T281 WeakPolarHBondContact OG1-CA 3.44Å; T100-T281 PolarHBondContact OG1-N 2.81Å; T100-T281 VanDerWaalsContact OG1-N 3.11Å; T100-T281 PolarHBondContact OG1-OG1 2.93Å; K279-T281 PolarHBondContact O-N 3.44Å; T281-V283 VanDerWaalsContact C-N 3.35Å; T281-V283 PolarHBondContact O-N 2.92Å; T281-M284 PolarHBondContact O-N 3.48Å; T281-E285 HydrophobicContact CG2-CG 4.16Å; T281-E285 WeakPolarHBondContact CG2-OE1 3.34Å; T281-E285 WeakPolarHBondContact O-CB 3.29Å; T281-E285 VanDerWaalsContact O-CG 3.25Å; T281-E285 WeakPolarHBondContact O-CG 3.45Å; T281-E285 PolarHBondContact O-N 3.26Å
282T95.9Very high86.6Confident28 Ų2846.8 Ų46.817%0.17226%0.26CS..Hα-helixtrans-63.3-40178.3-70.50000112.5P15 K279 C280 L286P15-T282 HydrophobicContact CG-CG2 4.29Å; K279-T282 WeakPolarHBondContact CE-OG1 3.39Å; K279-T282 PolarHBondContact NZ-OG1 3.41Å; C280-T282 VanDerWaalsContact C-N 3.35Å; C280-T282 PolarHBondContact O-N 3.13Å; T282-L286 HydrophobicContact CG2-CD1 3.99Å; T282-L286 WeakPolarHBondContact O-CB 3.45Å; T282-L286 WeakPolarHBondContact O-CD1 3.45Å; T282-L286 WeakPolarHBondContact O-CG 3.46Å; T282-L286 PolarHBondContact O-N 2.76Å
283V97.5Very high84Confident0 Ų050.9 Ų50.90%028%0.278CS..Hα-helixtrans-68.6-42176.2178.30000110.6P15 L20 L23 V261 V276 K279 C280 T281 E285 L286 V287P15-V283 HydrophobicContact CB-CG2 4.13Å; P15-V283 HydrophobicContact CG-CG2 4.4Å; L20-V283 HydrophobicContact CD1-CG1 4.22Å; L23-V283 HydrophobicContact CD2-CG1 3.44Å; L23-V283 VanDerWaalsContact CD2-CG1 3.44Å; V261-V283 HydrophobicContact CG1-CB 3.8Å; V261-V283 HydrophobicContact CG1-CG1 4.05Å; V261-V283 HydrophobicContact CG1-CG2 3.7Å; V261-V283 HydrophobicContact CG2-CB 4.48Å; V261-V283 HydrophobicContact CG2-CG1 3.82Å; V276-V283 HydrophobicContact CB-CG2 4.39Å; V276-V283 HydrophobicContact CG1-CG1 4.33Å; V276-V283 HydrophobicContact CG1-CG2 3.59Å; K279-V283 PolarHBondContact O-N 3.3Å; C280-V283 PolarHBondContact O-N 3.35Å; C280-V283 VanDerWaalsContact O-N 3.15Å; T281-V283 VanDerWaalsContact C-N 3.35Å; T281-V283 PolarHBondContact O-N 2.92Å; V283-E285 VanDerWaalsContact C-N 3.33Å; V283-E285 PolarHBondContact O-N 3.3Å; V283-L286 CarbonylContact O-C 3.57Å; V283-L286 PolarHBondContact O-N 3.46Å; V283-L286 VanDerWaalsContact O-N 3.08Å; V283-V287 HydrophobicContact CG1-CG1 4.28Å; V283-V287 WeakPolarHBondContact O-CG1 3.29Å; V283-V287 WeakPolarHBondContact O-CG2 3.14Å; V283-V287 PolarHBondContact O-N 2.92Å
284M96.1Very high81.3Confident3 Ų359.2 Ų59.22%0.01532%0.32CS..Hα-helixtrans-72.1-25.2-176.1-66-63.5-57.700113.6T100 K103 L104 W107 L233 L235 C280 T281 V287T100-M284 HydrophobicContact CG2-CB 4.43Å; T100-M284 HydrophobicContact CG2-CG 3.93Å; K103-M284 HydrophobicContact CG-CE 4.28Å; L104-M284 HydrophobicContact CD2-CE 4.13Å; W107-M284 HydrophobicContact CE3-CE 4.27Å; W107-M284 HydrophobicContact CH2-CE 3.52Å; W107-M284 HydrophobicContact CH2-SD 4.43Å; W107-M284 HydrophobicContact CZ2-CE 3.81Å; W107-M284 HydrophobicContact CZ3-CE 3.77Å; L233-M284 HydrophobicContact CD2-SD 4.25Å; L235-M284 HydrophobicContact CD1-SD 4.23Å; L235-M284 HydrophobicContact CD2-SD 4.03Å; C280-M284 WeakPolarHBondContact O-CB 3.43Å; C280-M284 WeakPolarHBondContact O-CG 3.38Å; C280-M284 PolarHBondContact O-N 3.26Å; T281-M284 PolarHBondContact O-N 3.48Å; M284-V287 HydrophobicContact CE-CG2 4.4Å; M284-V287 HydrophobicContact SD-CG2 4.05Å
285E93.8Very high80.4Confident124 Ų12462.1 Ų62.158%0.57934%0.335SS*.Hα-helixtrans-73.5-31.1168.3-74.9169.2166.500112.3T281 V283T281-E285 HydrophobicContact CG2-CG 4.16Å; T281-E285 WeakPolarHBondContact CG2-OE1 3.34Å; T281-E285 WeakPolarHBondContact O-CB 3.29Å; T281-E285 VanDerWaalsContact O-CG 3.25Å; T281-E285 WeakPolarHBondContact O-CG 3.45Å; T281-E285 PolarHBondContact O-N 3.26Å; V283-E285 VanDerWaalsContact C-N 3.33Å; V283-E285 PolarHBondContact O-N 3.3Å
286L93.4Very high79.5Confident70 Ų7063.2 Ų63.237%0.36634%0.344SS..Hα-helixtrans-89.9-21.1-177.5-68.8171.5000113.4P15 L20 R24 T282 V283 D288P15-L286 HydrophobicContact CG-CD1 3.87Å; L20-L286 HydrophobicContact CD1-CB 4.15Å; L20-L286 HydrophobicContact CD2-CB 3.97Å; L20-L286 HydrophobicContact CD2-CD1 3.88Å; L20-L286 HydrophobicContact CD2-CG 4.49Å; R24-L286 VanDerWaalsContact CZ-O 3.23Å; R24-L286 PolarHBondContact NE-O 2.97Å; R24-L286 PolarHBondContact NH2-O 3.37Å; T282-L286 HydrophobicContact CG2-CD1 3.99Å; T282-L286 WeakPolarHBondContact O-CB 3.45Å; T282-L286 WeakPolarHBondContact O-CD1 3.45Å; T282-L286 WeakPolarHBondContact O-CG 3.46Å; T282-L286 PolarHBondContact O-N 2.76Å; V283-L286 CarbonylContact O-C 3.57Å; V283-L286 PolarHBondContact O-N 3.46Å; V283-L286 VanDerWaalsContact O-N 3.08Å; L286-D288 PolarHBondContact O-N 3.48Å
287V89.7Confident78.4Confident1 Ų166.7 Ų66.71%0.00636%0.363CS..SBendtrans-81.697.9170.3-60.90000108L20 L23 R24 L27 W107 V283 M284L20-V287 HydrophobicContact CD1-CG1 3.89Å; L23-V287 HydrophobicContact CD2-CG1 3.81Å; L23-V287 HydrophobicContact CG-CG1 4.22Å; R24-V287 HydrophobicContact CG-CB 4.37Å; R24-V287 HydrophobicContact CG-CG1 3.96Å; L27-V287 HydrophobicContact CD1-CB 4.23Å; L27-V287 HydrophobicContact CD1-CG1 4.21Å; L27-V287 HydrophobicContact CD1-CG2 4.39Å; W107-V287 HydrophobicContact CH2-CG2 4.16Å; W107-V287 HydrophobicContact CZ2-CG2 4.07Å; V283-V287 HydrophobicContact CG1-CG1 4.28Å; V283-V287 WeakPolarHBondContact O-CG1 3.29Å; V283-V287 WeakPolarHBondContact O-CG2 3.14Å; V283-V287 PolarHBondContact O-N 2.92Å; M284-V287 HydrophobicContact CE-CG2 4.4Å; M284-V287 HydrophobicContact SD-CG2 4.05Å
288D69.1Low77.3Confident124 Ų12467.3 Ų67.366%0.66336%0.361SS*.  trans-62.6148.8170.2-82.9-36.5000110.1L286 V290L286-D288 PolarHBondContact O-N 3.48Å; D288-V290 PolarHBondContact O-N 3.39Å
289D60.1Low76Confident50 Ų5071.4 Ų71.427%0.26738%0.383SS..  trans-69.184167.3-64.919.5000106.8K103 W107 R110 Q291K103-D289 IonicContact NZ-OD1 3.02Å; K103-D289 PolarHBondContact NZ-OD1 3.38Å; W107-D289 PolarHBondContact NE1-OD1 2.91Å; R110-D289 IonicContact CZ-OD2 3.54Å; R110-D289 IonicContact NH1-OD2 2.7Å; R110-D289 PolarHBondContact NH1-OD2 3.31Å; D289-Q291 PolarHBondContact O-N 2.77Å
290V52.8Low74.7Confident86 Ų8672.2 Ų72.252%0.52139%0.391SS..  trans-56.3113.7162.5-174.80000104.6A28 D288 A292A28-V290 HydrophobicContact CB-CB 4.14Å; A28-V290 HydrophobicContact CB-CG1 4.1Å; A28-V290 HydrophobicContact CB-CG2 4.4Å; D288-V290 PolarHBondContact O-N 3.39Å; V290-A292 PolarHBondContact O-N 2.69Å
291Q50Low73.1Confident171 Ų17177 Ų7780%0.79942%0.417SS*.  trans-39.6135.9-164.6-68.3175.6-21.700111.8D289 L293D289-Q291 PolarHBondContact O-N 2.77Å; Q291-L293 PolarHBondContact O-N 3.13Å
292A44.4Very low71.4Confident67 Ų6781.9 Ų81.955%0.55444%0.443SS*.  trans-44.7117.4167.600000108V290 N294V290-A292 PolarHBondContact O-N 2.69Å; A292-N294 VanDerWaalsContact C-N 3.33Å; A292-N294 PolarHBondContact O-N 2.86Å
293L44.3Very low69.3Low112 Ų11286.4 Ų86.459%0.58647%0.465SS*.  trans-59.4101.7174.3-71.8162.4000106.6Q291Q291-L293 PolarHBondContact O-N 3.13Å
294N40.8Very low66.8Low229 Ų22994.3 Ų94.3100%1.22551%0.507SS*.  trans-57.10165.2-74.5-21.9000109.9A292A292-N294 VanDerWaalsContact C-N 3.33Å; A292-N294 PolarHBondContact O-N 2.86Å

Retrieved 294 of 294 residues in 113 ms (Link to these results)

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