A0A077ZIG6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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
1M37Very low59.6Low238 Ų23895.3 Ų95.3100%1.17248%0.481SS*.  0125.70-74.5174.6-171.500105.7
2E38.1Very low61.3Low108 Ų10894.8 Ų94.851%0.50548%0.476SS..  trans-62.4137.7173.4-132.8151-131.500108.7D6 R10E2-D6 HydrophobicContact CG-CB 4.13Å; E2-R10 IonicContact OE1-CZ 3.88Å; E2-R10 IonicContact OE1-NH1 2.7Å; E2-R10 PolarHBondContact OE1-NH1 3.43Å; E2-R10 IonicContact OE1-NH2 3.59Å; E2-R10 PolarHBondContact OE1-NH2 3.1Å; E2-R10 IonicContact OE2-CZ 3.74Å; E2-R10 IonicContact OE2-NH1 2.69Å; E2-R10 PolarHBondContact OE2-NH1 3.41Å
3T47.2Very low62.7Low75 Ų7599.8 Ų99.846%0.4650%0.497SS..  trans-76.2147.3176.670.90000109.1P5 D6 Y7T3-P5 VanDerWaalsContact C-N 3.28Å; T3-D6 WeakPolarHBondContact O-CB 3.27Å; T3-D6 PolarHBondContact O-N 3.02Å; T3-D6 PolarHBondContact OG1-OD2 2.98Å; T3-Y7 PolarHBondContact O-N 2.91Å
4M52Low63.7Low89 Ų8997.2 Ų97.244%0.43849%0.485SS..Hα-helixtrans-55.4-37.1-179.8-154.2146.487.100113.5D6 Y7 C8 L41M4-D6 VanDerWaalsContact C-N 3.34Å; M4-D6 PolarHBondContact O-N 3.39Å; M4-Y7 WeakPolarHBondContact O-CB 3.25Å; M4-Y7 PolarHBondContact O-N 3.21Å; M4-C8 PolarHBondContact O-N 3.34Å; M4-C8 PolarHBondContact O-SG 3.22Å; M4-C8 VanDerWaalsContact O-SG 3.39Å; M4-L41 HydrophobicContact CE-CD2 4.49Å; M4-L41 HydrophobicContact SD-CD2 3.85Å
5P56.3Low64.2Low78 Ų7892.5 Ų92.551%0.50646%0.46SS..Hα-helixtrans-58.5-41.3171.5-24.233.6000113.4T3 Y7 C8 V9T3-P5 VanDerWaalsContact C-N 3.28Å; P5-Y7 VanDerWaalsContact C-N 3.32Å; P5-Y7 PolarHBondContact O-N 3.42Å; P5-C8 PolarHBondContact O-N 2.91Å; P5-V9 WeakPolarHBondContact O-CG2 3.48Å; P5-V9 PolarHBondContact O-N 3.44Å; P5-V9 VanDerWaalsContact O-N 3.08Å
6D60.6Low64.5Low84 Ų8492.6 Ų92.645%0.44946%0.462SS..Hα-helixtrans-65.5-36.3179.5-63.7-38.9000111.9E2 T3 M4 R10E2-D6 HydrophobicContact CG-CB 4.13Å; T3-D6 WeakPolarHBondContact O-CB 3.27Å; T3-D6 PolarHBondContact O-N 3.02Å; T3-D6 PolarHBondContact OG1-OD2 2.98Å; M4-D6 VanDerWaalsContact C-N 3.34Å; M4-D6 PolarHBondContact O-N 3.39Å; D6-R10 VanDerWaalsContact O-CB 3.28Å; D6-R10 WeakPolarHBondContact O-CB 3.13Å; D6-R10 PolarHBondContact O-N 3.46Å
7Y63.5Low64.8Low55 Ų5590.8 Ų90.822%0.21646%0.46CS..Hα-helixtrans-61.7-47.5174.9175.3-90.9000110.8T3 M4 P5 R10 F11 Y38 L41T3-Y7 PolarHBondContact O-N 2.91Å; M4-Y7 WeakPolarHBondContact O-CB 3.25Å; M4-Y7 PolarHBondContact O-N 3.21Å; P5-Y7 VanDerWaalsContact C-N 3.32Å; P5-Y7 PolarHBondContact O-N 3.42Å; Y7-R10 PolarHBondContact O-N 2.98Å; Y7-F11 HydrophobicContact CD1-CD2 4.42Å; Y7-F11 AromaticContact CD2-CD2 3.38Å; Y7-F11 HydrophobicContact CD2-CD2 3.38Å; Y7-F11 AromaticContact CD2-CE2 3.5Å; Y7-F11 HydrophobicContact CD2-CE2 3.5Å; Y7-F11 HydrophobicContact CE1-CD2 4.37Å; Y7-F11 AromaticContact CE2-CD2 3.32Å; Y7-F11 HydrophobicContact CE2-CD2 3.32Å; Y7-F11 AromaticContact CE2-CE2 3.45Å; Y7-F11 HydrophobicContact CE2-CE2 3.45Å; Y7-F11 VanDerWaalsContact CE2-CE2 3.45Å; Y7-F11 HydrophobicContact CE2-CG 4.25Å; Y7-F11 HydrophobicContact CE2-CZ 4.45Å; Y7-F11 AromaticContact CG-CD2 3.96Å; Y7-F11 HydrophobicContact CG-CD2 3.96Å; Y7-F11 HydrophobicContact CG-CE2 4.44Å; Y7-F11 AromaticContact CZ-CD2 3.84Å; Y7-F11 WeakPolarHBondContact O-CB 3.29Å; Y7-F11 WeakPolarHBondContact O-CD2 3.23Å; Y7-F11 PolarHBondContact O-N 3.42Å; Y7-Y38 HydrophobicContact CE1-CD2 4.2Å; Y7-L41 HydrophobicContact CE1-CD1 4.14Å
8C70Confident65.1Low15 Ų1588.6 Ų88.610%0.10145%0.448CS..Hα-helixtrans-63.3-47.5-178.7-63.10000111.9M4 P5 R10 F11 Q12 Y38 C42M4-C8 PolarHBondContact O-N 3.34Å; M4-C8 PolarHBondContact O-SG 3.22Å; M4-C8 VanDerWaalsContact O-SG 3.39Å; P5-C8 PolarHBondContact O-N 2.91Å; C8-R10 VanDerWaalsContact C-N 3.32Å; C8-R10 PolarHBondContact O-N 3.24Å; C8-F11 PolarHBondContact O-N 3.03Å; C8-Q12 WeakPolarHBondContact O-CB 3.45Å; C8-Q12 PolarHBondContact O-N 3.48Å; C8-Y38 WeakPolarHBondContact O-CE2 3.28Å; C8-Y38 PolarHBondContact O-OH 2.98Å; C8-C42 WeakPolarHBondContact CA-SG 3.47Å; C8-C42 HydrophobicContact CB-CB 3.64Å; C8-C42 WeakPolarHBondContact CB-SG 3.13Å; C8-C42 WeakPolarHBondContact SG-CA 3.26Å; C8-C42 WeakPolarHBondContact SG-CB 3.4Å; C8-C42 CovalentContact SG-SG 2.03Å; C8-C42 PolarHBondContact SG-SG 3.33Å
9V74.1Confident65.2Low110 Ų11085.4 Ų85.467%0.66743%0.434SS*.Hα-helixtrans-61.6-41.4178.1176.10000111.5P5P5-V9 WeakPolarHBondContact O-CG2 3.48Å; P5-V9 PolarHBondContact O-N 3.44Å; P5-V9 VanDerWaalsContact O-N 3.08Å
10R76.4Confident65Low139 Ų13985.7 Ų85.753%0.52544%0.437SS..Hα-helixtrans-65.2-46.1-179.6-179.1180-66.4167.24.8112.6E2 D6 Y7 C8E2-R10 IonicContact OE1-CZ 3.88Å; E2-R10 IonicContact OE1-NH1 2.7Å; E2-R10 PolarHBondContact OE1-NH1 3.43Å; E2-R10 IonicContact OE1-NH2 3.59Å; E2-R10 PolarHBondContact OE1-NH2 3.1Å; E2-R10 IonicContact OE2-CZ 3.74Å; E2-R10 IonicContact OE2-NH1 2.69Å; E2-R10 PolarHBondContact OE2-NH1 3.41Å; D6-R10 VanDerWaalsContact O-CB 3.28Å; D6-R10 WeakPolarHBondContact O-CB 3.13Å; D6-R10 PolarHBondContact O-N 3.46Å; Y7-R10 PolarHBondContact O-N 2.98Å; C8-R10 VanDerWaalsContact C-N 3.32Å; C8-R10 PolarHBondContact O-N 3.24Å
11F80.3Confident64.2Low57 Ų5784.5 Ų84.525%0.2545%0.446CS..Hα-helixtrans-952.6-170.6-72.9-68.3000113.7Y7 C8 Q13 D14 Y15 F34 Y38Y7-F11 HydrophobicContact CD1-CD2 4.42Å; Y7-F11 AromaticContact CD2-CD2 3.38Å; Y7-F11 HydrophobicContact CD2-CD2 3.38Å; Y7-F11 AromaticContact CD2-CE2 3.5Å; Y7-F11 HydrophobicContact CD2-CE2 3.5Å; Y7-F11 HydrophobicContact CE1-CD2 4.37Å; Y7-F11 AromaticContact CE2-CD2 3.32Å; Y7-F11 HydrophobicContact CE2-CD2 3.32Å; Y7-F11 AromaticContact CE2-CE2 3.45Å; Y7-F11 HydrophobicContact CE2-CE2 3.45Å; Y7-F11 VanDerWaalsContact CE2-CE2 3.45Å; Y7-F11 HydrophobicContact CE2-CG 4.25Å; Y7-F11 HydrophobicContact CE2-CZ 4.45Å; Y7-F11 AromaticContact CG-CD2 3.96Å; Y7-F11 HydrophobicContact CG-CD2 3.96Å; Y7-F11 HydrophobicContact CG-CE2 4.44Å; Y7-F11 AromaticContact CZ-CD2 3.84Å; Y7-F11 WeakPolarHBondContact O-CB 3.29Å; Y7-F11 WeakPolarHBondContact O-CD2 3.23Å; Y7-F11 PolarHBondContact O-N 3.42Å; C8-F11 PolarHBondContact O-N 3.03Å; F11-Q13 VanDerWaalsContact C-N 3.28Å; F11-Q13 PolarHBondContact O-N 2.96Å; F11-D14 WeakPolarHBondContact CD1-OD2 3.45Å; F11-D14 PolarHBondContact O-N 2.86Å; F11-Y15 PolarHBondContact O-N 2.99Å; F11-F34 HydrophobicContact CB-CE2 3.87Å; F11-F34 HydrophobicContact CB-CZ 3.82Å; F11-F34 AromaticContact CD1-CE2 3.88Å; F11-F34 HydrophobicContact CD1-CE2 3.88Å; F11-F34 HydrophobicContact CD1-CZ 4.25Å; F11-F34 AromaticContact CG-CE2 3.98Å; F11-F34 HydrophobicContact CG-CE2 3.98Å; F11-F34 HydrophobicContact CG-CZ 4.34Å; F11-Y38 HydrophobicContact CB-CD2 3.98Å; F11-Y38 HydrophobicContact CB-CE2 3.91Å
12Q80.5Confident64.5Low90 Ų9081.5 Ų81.542%0.42143%0.434SS..Hα-helixtrans-56.8-42177.6-171.417721.300112.3C8 Y15 L16 Y38C8-Q12 WeakPolarHBondContact O-CB 3.45Å; C8-Q12 PolarHBondContact O-N 3.48Å; Q12-Y15 PolarHBondContact O-N 3.47Å; Q12-L16 HydrophobicContact CG-CD1 4.29Å; Q12-L16 WeakPolarHBondContact O-CG 3.33Å; Q12-L16 PolarHBondContact O-N 3.26Å; Q12-Y38 VanDerWaalsContact CA-OH 3.23Å; Q12-Y38 WeakPolarHBondContact CA-OH 3.47Å; Q12-Y38 WeakPolarHBondContact CB-OH 3.28Å
13Q78.6Confident64.7Low160 Ų16086.8 Ų86.875%0.74845%0.449SS*.Hα-helixtrans-69.1-39-177.1-148.1175.712.500111.8F11 Y15 L16 S17F11-Q13 VanDerWaalsContact C-N 3.28Å; F11-Q13 PolarHBondContact O-N 2.96Å; Q13-Y15 VanDerWaalsContact C-N 3.34Å; Q13-L16 PolarHBondContact O-N 2.81Å; Q13-S17 PolarHBondContact O-N 3Å; Q13-S17 PolarHBondContact O-OG 3.16Å
14D76.8Confident64.7Low63 Ų6385.5 Ų85.534%0.33744%0.443SS..Hα-helixtrans-67.2-35.3175-67-29.6000112F11 S17 H18 W31 F34F11-D14 WeakPolarHBondContact CD1-OD2 3.45Å; F11-D14 PolarHBondContact O-N 2.86Å; D14-S17 WeakPolarHBondContact CA-OG 3.26Å; D14-S17 PolarHBondContact O-OG 3.35Å; D14-H18 WeakPolarHBondContact O-CB 3.33Å; D14-H18 PolarHBondContact O-CD2 2.91Å; D14-H18 PolarHBondContact O-N 2.99Å; D14-W31 HydrophobicContact CB-CH2 4.29Å; D14-W31 HydrophobicContact CB-CZ3 4.21Å; D14-F34 HydrophobicContact CB-CE1 4.11Å; D14-F34 HydrophobicContact CB-CZ 3.89Å
15Y71.1Confident64.3Low27 Ų2789.8 Ų89.811%0.10647%0.465CS..Hα-helixtrans-66-45.2172.9177.8-93.3000111.6F11 Q12 Q13 S17 H18 C19 D20 Y38 K43F11-Y15 PolarHBondContact O-N 2.99Å; Q12-Y15 PolarHBondContact O-N 3.47Å; Q13-Y15 VanDerWaalsContact C-N 3.34Å; Y15-S17 VanDerWaalsContact C-N 3.32Å; Y15-S17 PolarHBondContact O-N 3.35Å; Y15-H18 PolarHBondContact O-N 3.49Å; Y15-C19 HydrophobicContact CD1-CB 4.46Å; Y15-C19 HydrophobicContact CD2-CB 3.41Å; Y15-C19 VanDerWaalsContact CD2-CB 3.41Å; Y15-C19 WeakPolarHBondContact CD2-SG 3.37Å; Y15-C19 HydrophobicContact CE1-CB 4.42Å; Y15-C19 HydrophobicContact CE2-CB 3.38Å; Y15-C19 HydrophobicContact CG-CB 3.99Å; Y15-C19 WeakPolarHBondContact O-CA 3.4Å; Y15-C19 WeakPolarHBondContact O-CB 3.32Å; Y15-C19 PolarHBondContact O-N 2.79Å; Y15-D20 PolarHBondContact O-N 2.95Å; Y15-Y38 AromaticContact CD1-CD1 3.93Å; Y15-Y38 HydrophobicContact CD1-CD1 3.93Å; Y15-Y38 AromaticContact CD1-CE1 3.88Å; Y15-Y38 HydrophobicContact CD1-CE1 3.88Å; Y15-Y38 AromaticContact CD2-CD1 3.29Å; Y15-Y38 HydrophobicContact CD2-CD1 3.29Å; Y15-Y38 HydrophobicContact CD2-CE1 4.09Å; Y15-Y38 AromaticContact CD2-CG 3.74Å; Y15-Y38 HydrophobicContact CD2-CG 3.74Å; Y15-Y38 HydrophobicContact CE1-CD1 4.43Å; Y15-Y38 AromaticContact CE2-CD1 3.86Å; Y15-Y38 HydrophobicContact CE2-CD1 3.86Å; Y15-Y38 AromaticContact CG-CD1 3.33Å; Y15-Y38 HydrophobicContact CG-CD1 3.33Å; Y15-Y38 AromaticContact CG-CE1 3.64Å; Y15-Y38 HydrophobicContact CG-CE1 3.64Å; Y15-Y38 AromaticContact CG-CG 3.95Å; Y15-Y38 HydrophobicContact CG-CG 3.95Å; Y15-K43 HydrophobicContact CE1-CD 4.29Å; Y15-K43 PolarHBondContact OH-NZ 2.97Å
16L69.5Low64Low94 Ų9490.2 Ų90.249%0.49246%0.462SS..Hα-helixtrans-64.9-35.5178.3-71.2170.8000112.3Q12 Q13Q12-L16 HydrophobicContact CG-CD1 4.29Å; Q12-L16 WeakPolarHBondContact O-CG 3.33Å; Q12-L16 PolarHBondContact O-N 3.26Å; Q13-L16 PolarHBondContact O-N 2.81Å
17S69Low63.8Low62 Ų6296.1 Ų96.143%0.43448%0.479SS..Hα-helixtrans-74.3-37.3179.463.10000113Q13 D14 Y15Q13-S17 PolarHBondContact O-N 3Å; Q13-S17 PolarHBondContact O-OG 3.16Å; D14-S17 WeakPolarHBondContact CA-OG 3.26Å; D14-S17 PolarHBondContact O-OG 3.35Å; Y15-S17 VanDerWaalsContact C-N 3.32Å; Y15-S17 PolarHBondContact O-N 3.35Å
18H70.4Confident63.5Low51 Ų5195.1 Ų95.124%0.23648%0.48CS..Hα-helixtrans-110.8-20-169.6-64.2-49.8000115.4D14 Y15 S24 W31D14-H18 WeakPolarHBondContact O-CB 3.33Å; D14-H18 PolarHBondContact O-CD2 2.91Å; D14-H18 PolarHBondContact O-N 2.99Å; Y15-H18 PolarHBondContact O-N 3.49Å; H18-S24 WeakPolarHBondContact O-CB 3.04Å; H18-S24 PolarHBondContact O-OG 3.3Å; H18-W31 HydrophobicContact CB-CD2 3.91Å; H18-W31 HydrophobicContact CB-CE3 3.82Å; H18-W31 HydrophobicContact CB-CG 4.31Å; H18-W31 HydrophobicContact CB-CZ3 4.28Å; H18-W31 AromaticContact CD2-CD2 3.78Å; H18-W31 AromaticContact CD2-CE2 3.46Å; H18-W31 VanDerWaalsContact CD2-CE2 3.46Å; H18-W31 AromaticContact CD2-CE3 3.74Å; H18-W31 AromaticContact CD2-CH2 3.18Å; H18-W31 WeakPolarHBondContact CD2-CH2 3.46Å; H18-W31 AromaticContact CD2-CZ2 3.17Å; H18-W31 WeakPolarHBondContact CD2-CZ2 3.28Å; H18-W31 AromaticContact CD2-CZ3 3.46Å; H18-W31 VanDerWaalsContact CD2-CZ3 3.46Å; H18-W31 WeakPolarHBondContact CD2-CZ3 2.98Å; H18-W31 AromaticContact CG-CD2 3.82Å; H18-W31 AromaticContact CG-CE2 3.8Å; H18-W31 AromaticContact CG-CE3 3.97Å; H18-W31 AromaticContact CG-CZ2 3.99Å; H18-W31 AromaticContact NE2-CE2 3.78Å; H18-W31 AromaticContact NE2-CH2 3.72Å; H18-W31 AromaticContact NE2-CZ2 3.34Å; H18-W31 VanDerWaalsContact NE2-CZ2 3.34Å; H18-W31 WeakPolarHBondContact NE2-CZ2 3.44Å
19C66.6Low62.8Low27 Ų2798 Ų9818%0.18249%0.494CS..THydrogen-bonded Turntrans-110.9-27.4-172.6-50.20000113.4Y15 G21 C35Y15-C19 HydrophobicContact CD1-CB 4.46Å; Y15-C19 HydrophobicContact CD2-CB 3.41Å; Y15-C19 VanDerWaalsContact CD2-CB 3.41Å; Y15-C19 WeakPolarHBondContact CD2-SG 3.37Å; Y15-C19 HydrophobicContact CE1-CB 4.42Å; Y15-C19 HydrophobicContact CE2-CB 3.38Å; Y15-C19 HydrophobicContact CG-CB 3.99Å; Y15-C19 WeakPolarHBondContact O-CA 3.4Å; Y15-C19 WeakPolarHBondContact O-CB 3.32Å; Y15-C19 PolarHBondContact O-N 2.79Å; C19-G21 PolarHBondContact O-N 3.45Å; C19-C35 VanDerWaalsContact CA-SG 3.51Å; C19-C35 HydrophobicContact CB-CB 3.68Å; C19-C35 WeakPolarHBondContact CB-SG 3.45Å; C19-C35 WeakPolarHBondContact SG-CA 3.22Å; C19-C35 WeakPolarHBondContact SG-CB 3.19Å; C19-C35 CovalentContact SG-SG 2.01Å; C19-C35 PolarHBondContact SG-SG 3.26Å
20D62.2Low61.8Low91 Ų91100.3 Ų100.349%0.48750%0.497SS..SBendtrans-83.3100.3-173.1-150.617.8000112.8Y15 L22Y15-D20 PolarHBondContact O-N 2.95Å; D20-L22 PolarHBondContact O-N 2.89Å
21G47.2Very low61.3Low62 Ų6296.6 Ų96.664%0.63948%0.483SS*.THydrogen-bonded Turn87.6-37.1129.100000119.8C19C19-G21 PolarHBondContact O-N 3.45Å
22L44.4Very low60.3Low175 Ų17598.7 Ų98.792%0.91650%0.495SS*.THydrogen-bonded Turntrans-157.7-13.4-179.1-99.2127000116.6D20D20-L22 PolarHBondContact O-N 2.89Å
23R42.9Very low59.2Low218 Ų21899 Ų9982%0.82350%0.495SS*.  trans-124.212.2-172.3-80.8-172.4165.7-161.4-2.1115.1M25R23-M25 PolarHBondContact O-N 3.43Å
24S45.6Very low58.8Low48 Ų4892.9 Ų92.934%0.33647%0.466SS..  trans-67.786173.4-171.90000109.8H18 D26H18-S24 WeakPolarHBondContact O-CB 3.04Å; H18-S24 PolarHBondContact O-OG 3.3Å; S24-D26 VanDerWaalsContact C-N 3.27Å
25M45.3Very low58.3Low180 Ų18091.2 Ų91.289%0.88746%0.459SS*.  trans-75.9-22.9174.4-70.7-67.6-176.600110.9R23 R27R23-M25 PolarHBondContact O-N 3.43Å; M25-R27 PolarHBondContact O-N 3.31Å
26D49.8Very low57.8Low86 Ų8693.7 Ų93.746%0.4648%0.48SS..  trans-101.280.6-173.8-153.1-5.2000110.9S24 S28S24-D26 VanDerWaalsContact C-N 3.27Å; D26-S28 PolarHBondContact O-N 2.85Å
27R54.8Low57.3Low209 Ų20991 Ų9179%0.78947%0.471SS*.  trans-76.135.9174.5-65.7-172.8177.8-169.9-1.2112.2M25M25-R27 PolarHBondContact O-N 3.31Å
28S57.4Low57.2Low34 Ų3488.8 Ų88.824%0.23845%0.453CS..  trans-61.1143.8174.287.60000109D26 E30 W31 M32D26-S28 PolarHBondContact O-N 2.85Å; S28-E30 PolarHBondContact O-N 3.34Å; S28-W31 PolarHBondContact O-N 2.86Å; S28-W31 VanDerWaalsContact O-N 3.15Å; S28-W31 PolarHBondContact OG-N 3.37Å; S28-M32 PolarHBondContact O-N 2.02Å; S28-M32 VanDerWaalsContact O-N 3.13Å
29L55.1Low56.9Low76 Ų7687.4 Ų87.440%0.39845%0.453SS..Hα-helixtrans-59.2-28.5179-176.266.5000111.7M32 K33L29-M32 HydrophobicContact CD1-CE 4.2Å; L29-K33 WeakPolarHBondContact O-CG 3.46Å; L29-K33 PolarHBondContact O-N 3.03Å
30E54.3Low56.4Low157 Ų15790.5 Ų90.573%0.73447%0.471SS*.Hα-helixtrans-68.1-45.8176.6-70.5-179.8152.700111.6S28 M32 K33 F34S28-E30 PolarHBondContact O-N 3.34Å; E30-M32 PolarHBondContact O-N 2.93Å; E30-K33 PolarHBondContact O-N 3.41Å; E30-F34 WeakPolarHBondContact O-CB 3.41Å; E30-F34 PolarHBondContact O-N 3.47Å
31W64.6Low56.3Low61 Ų6189.1 Ų89.123%0.23146%0.463CS..Hα-helixtrans-64.8-40.1176.7-75.7125.9000112.2D14 H18 S28 K33 F34 C35D14-W31 HydrophobicContact CB-CH2 4.29Å; D14-W31 HydrophobicContact CB-CZ3 4.21Å; H18-W31 HydrophobicContact CB-CD2 3.91Å; H18-W31 HydrophobicContact CB-CE3 3.82Å; H18-W31 HydrophobicContact CB-CG 4.31Å; H18-W31 HydrophobicContact CB-CZ3 4.28Å; H18-W31 AromaticContact CD2-CD2 3.78Å; H18-W31 AromaticContact CD2-CE2 3.46Å; H18-W31 VanDerWaalsContact CD2-CE2 3.46Å; H18-W31 AromaticContact CD2-CE3 3.74Å; H18-W31 AromaticContact CD2-CH2 3.18Å; H18-W31 WeakPolarHBondContact CD2-CH2 3.46Å; H18-W31 AromaticContact CD2-CZ2 3.17Å; H18-W31 WeakPolarHBondContact CD2-CZ2 3.28Å; H18-W31 AromaticContact CD2-CZ3 3.46Å; H18-W31 VanDerWaalsContact CD2-CZ3 3.46Å; H18-W31 WeakPolarHBondContact CD2-CZ3 2.98Å; H18-W31 AromaticContact CG-CD2 3.82Å; H18-W31 AromaticContact CG-CE2 3.8Å; H18-W31 AromaticContact CG-CE3 3.97Å; H18-W31 AromaticContact CG-CZ2 3.99Å; H18-W31 AromaticContact NE2-CE2 3.78Å; H18-W31 AromaticContact NE2-CH2 3.72Å; H18-W31 AromaticContact NE2-CZ2 3.34Å; H18-W31 VanDerWaalsContact NE2-CZ2 3.34Å; H18-W31 WeakPolarHBondContact NE2-CZ2 3.44Å; S28-W31 PolarHBondContact O-N 2.86Å; S28-W31 VanDerWaalsContact O-N 3.15Å; S28-W31 PolarHBondContact OG-N 3.37Å; W31-K33 VanDerWaalsContact C-N 3.31Å; W31-K33 PolarHBondContact O-N 2.88Å; W31-F34 HydrophobicContact CE3-CB 4.15Å; W31-F34 AromaticContact CE3-CD1 3.57Å; W31-F34 HydrophobicContact CE3-CD1 3.57Å; W31-F34 HydrophobicContact CE3-CE1 4.21Å; W31-F34 HydrophobicContact CE3-CG 4.03Å; W31-F34 AromaticContact CZ3-CD1 3.59Å; W31-F34 HydrophobicContact CZ3-CD1 3.59Å; W31-F34 AromaticContact CZ3-CE1 3.83Å; W31-F34 HydrophobicContact CZ3-CE1 3.83Å; W31-F34 HydrophobicContact CZ3-CG 4.01Å; W31-F34 HydrophobicContact CZ3-CZ 4.45Å; W31-F34 PolarHBondContact O-N 3.04Å; W31-C35 WeakPolarHBondContact O-CB 3.37Å; W31-C35 PolarHBondContact O-N 3.45Å; W31-C35 PolarHBondContact O-SG 3.03Å
32M59.7Low57Low102 Ų10286.5 Ų86.550%0.50244%0.435SS..Hα-helixtrans-60.3-41.3175.5-72.7-171.3-75.800112.4S28 L29 E30 S36S28-M32 PolarHBondContact O-N 2.02Å; S28-M32 VanDerWaalsContact O-N 3.13Å; L29-M32 HydrophobicContact CD1-CE 4.2Å; E30-M32 PolarHBondContact O-N 2.93Å; M32-S36 WeakPolarHBondContact O-CB 3.43Å; M32-S36 PolarHBondContact O-N 3.22Å; M32-S36 VanDerWaalsContact O-N 3.08Å
33K57.3Low57.8Low96 Ų9681.9 Ų81.942%0.41741%0.408SS..Hα-helixtrans-64.6-44.5174.5-73.5173.3179.3-179.10111.5L29 E30 W31 S36 A37L29-K33 WeakPolarHBondContact O-CG 3.46Å; L29-K33 PolarHBondContact O-N 3.03Å; E30-K33 PolarHBondContact O-N 3.41Å; W31-K33 VanDerWaalsContact C-N 3.31Å; W31-K33 PolarHBondContact O-N 2.88Å; K33-S36 PolarHBondContact O-N 3.38Å; K33-A37 WeakPolarHBondContact O-CB 3.43Å; K33-A37 PolarHBondContact O-N 2.96Å
34F70.7Confident57.9Low32 Ų3273.4 Ų73.414%0.1438%0.378CS..Hα-helixtrans-61.7-48.4177.7170-95000111.8F11 D14 E30 W31 S36 A37 Y38F11-F34 HydrophobicContact CB-CE2 3.87Å; F11-F34 HydrophobicContact CB-CZ 3.82Å; F11-F34 AromaticContact CD1-CE2 3.88Å; F11-F34 HydrophobicContact CD1-CE2 3.88Å; F11-F34 HydrophobicContact CD1-CZ 4.25Å; F11-F34 AromaticContact CG-CE2 3.98Å; F11-F34 HydrophobicContact CG-CE2 3.98Å; F11-F34 HydrophobicContact CG-CZ 4.34Å; D14-F34 HydrophobicContact CB-CE1 4.11Å; D14-F34 HydrophobicContact CB-CZ 3.89Å; E30-F34 WeakPolarHBondContact O-CB 3.41Å; E30-F34 PolarHBondContact O-N 3.47Å; W31-F34 HydrophobicContact CE3-CB 4.15Å; W31-F34 AromaticContact CE3-CD1 3.57Å; W31-F34 HydrophobicContact CE3-CD1 3.57Å; W31-F34 HydrophobicContact CE3-CE1 4.21Å; W31-F34 HydrophobicContact CE3-CG 4.03Å; W31-F34 AromaticContact CZ3-CD1 3.59Å; W31-F34 HydrophobicContact CZ3-CD1 3.59Å; W31-F34 AromaticContact CZ3-CE1 3.83Å; W31-F34 HydrophobicContact CZ3-CE1 3.83Å; W31-F34 HydrophobicContact CZ3-CG 4.01Å; W31-F34 HydrophobicContact CZ3-CZ 4.45Å; W31-F34 PolarHBondContact O-N 3.04Å; F34-S36 VanDerWaalsContact C-N 3.3Å; F34-S36 PolarHBondContact O-N 2.81Å; F34-A37 PolarHBondContact O-N 3.38Å; F34-Y38 HydrophobicContact CZ-CD2 4.2Å; F34-Y38 WeakPolarHBondContact O-CB 3.27Å; F34-Y38 PolarHBondContact O-N 3.44Å
35C65.8Low57.9Low28 Ų2875.1 Ų75.119%0.18938%0.381CS..Hα-helixtrans-60-40.9178.6-620000112.2C19 W31 G39C19-C35 VanDerWaalsContact CA-SG 3.51Å; C19-C35 HydrophobicContact CB-CB 3.68Å; C19-C35 WeakPolarHBondContact CB-SG 3.45Å; C19-C35 WeakPolarHBondContact SG-CA 3.22Å; C19-C35 WeakPolarHBondContact SG-CB 3.19Å; C19-C35 CovalentContact SG-SG 2.01Å; C19-C35 PolarHBondContact SG-SG 3.26Å; W31-C35 WeakPolarHBondContact O-CB 3.37Å; W31-C35 PolarHBondContact O-N 3.45Å; W31-C35 PolarHBondContact O-SG 3.03Å; C35-G39 PolarHBondContact O-N 2.88Å
36S61.5Low58Low79 Ų7971.9 Ų71.955%0.55236%0.364SS*.Hα-helixtrans-62.3-49.91741650000111.5M32 K33 F34 G39 V40M32-S36 WeakPolarHBondContact O-CB 3.43Å; M32-S36 PolarHBondContact O-N 3.22Å; M32-S36 VanDerWaalsContact O-N 3.08Å; K33-S36 PolarHBondContact O-N 3.38Å; F34-S36 VanDerWaalsContact C-N 3.3Å; F34-S36 PolarHBondContact O-N 2.81Å; S36-G39 PolarHBondContact O-N 3.42Å; S36-V40 WeakPolarHBondContact O-CG2 3.32Å; S36-V40 PolarHBondContact O-N 2.82Å; S36-V40 VanDerWaalsContact O-N 3.17Å
37A59.9Low57.8Low37 Ų3773.4 Ų73.431%0.30637%0.368SS..Hα-helixtrans-65-46.9-17900000112K33 F34 G39 V40 L41K33-A37 WeakPolarHBondContact O-CB 3.43Å; K33-A37 PolarHBondContact O-N 2.96Å; F34-A37 PolarHBondContact O-N 3.38Å; A37-G39 VanDerWaalsContact C-N 3.33Å; A37-G39 PolarHBondContact O-N 3.08Å; A37-V40 PolarHBondContact O-N 3.49Å; A37-L41 WeakPolarHBondContact O-CB 3.4Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.42Å; A37-L41 PolarHBondContact O-N 2.93Å
38Y65.9Low57Low15 Ų1565.9 Ų65.96%0.05935%0.347CS..Hα-helixtrans-61.9-40.4177.5-170.9-80.5000111.7Y7 C8 F11 Q12 Y15 F34 V40 L41 C42 K43Y7-Y38 HydrophobicContact CE1-CD2 4.2Å; C8-Y38 WeakPolarHBondContact O-CE2 3.28Å; C8-Y38 PolarHBondContact O-OH 2.98Å; F11-Y38 HydrophobicContact CB-CD2 3.98Å; F11-Y38 HydrophobicContact CB-CE2 3.91Å; Q12-Y38 VanDerWaalsContact CA-OH 3.23Å; Q12-Y38 WeakPolarHBondContact CA-OH 3.47Å; Q12-Y38 WeakPolarHBondContact CB-OH 3.28Å; Y15-Y38 AromaticContact CD1-CD1 3.93Å; Y15-Y38 HydrophobicContact CD1-CD1 3.93Å; Y15-Y38 AromaticContact CD1-CE1 3.88Å; Y15-Y38 HydrophobicContact CD1-CE1 3.88Å; Y15-Y38 AromaticContact CD2-CD1 3.29Å; Y15-Y38 HydrophobicContact CD2-CD1 3.29Å; Y15-Y38 HydrophobicContact CD2-CE1 4.09Å; Y15-Y38 AromaticContact CD2-CG 3.74Å; Y15-Y38 HydrophobicContact CD2-CG 3.74Å; Y15-Y38 HydrophobicContact CE1-CD1 4.43Å; Y15-Y38 AromaticContact CE2-CD1 3.86Å; Y15-Y38 HydrophobicContact CE2-CD1 3.86Å; Y15-Y38 AromaticContact CG-CD1 3.33Å; Y15-Y38 HydrophobicContact CG-CD1 3.33Å; Y15-Y38 AromaticContact CG-CE1 3.64Å; Y15-Y38 HydrophobicContact CG-CE1 3.64Å; Y15-Y38 AromaticContact CG-CG 3.95Å; Y15-Y38 HydrophobicContact CG-CG 3.95Å; F34-Y38 HydrophobicContact CZ-CD2 4.2Å; F34-Y38 WeakPolarHBondContact O-CB 3.27Å; F34-Y38 PolarHBondContact O-N 3.44Å; Y38-V40 VanDerWaalsContact C-N 3.34Å; Y38-V40 PolarHBondContact O-N 3.13Å; Y38-L41 PolarHBondContact O-N 2.96Å; Y38-C42 HydrophobicContact CD1-CB 3.97Å; Y38-C42 HydrophobicContact CD2-CB 4.37Å; Y38-C42 HydrophobicContact CE1-CB 3.63Å; Y38-C42 HydrophobicContact CE2-CB 4.07Å; Y38-C42 HydrophobicContact CG-CB 4.31Å; Y38-C42 WeakPolarHBondContact O-CA 3.43Å; Y38-C42 VanDerWaalsContact O-CB 3.28Å; Y38-C42 WeakPolarHBondContact O-CB 3.21Å; Y38-C42 PolarHBondContact O-N 3.45Å; Y38-K43 PolarHBondContact O-N 3.23Å
39G63.1Low56.3Low22 Ų2272 Ų7223%0.22737%0.372CS..Iπ-helixtrans-60.3-42.3176.400000113.1C35 S36 A37 K43 L44C35-G39 PolarHBondContact O-N 2.88Å; S36-G39 PolarHBondContact O-N 3.42Å; A37-G39 VanDerWaalsContact C-N 3.33Å; A37-G39 PolarHBondContact O-N 3.08Å; G39-K43 WeakPolarHBondContact O-CB 3.28Å; G39-K43 PolarHBondContact O-N 3.08Å; G39-L44 PolarHBondContact O-N 3.1Å
40V58Low55.8Low93 Ų9376 Ų7656%0.56439%0.389SS*.Iπ-helixtrans-71.6-43.8178.4173.70000111.7S36 A37 Y38 L44S36-V40 WeakPolarHBondContact O-CG2 3.32Å; S36-V40 PolarHBondContact O-N 2.82Å; S36-V40 VanDerWaalsContact O-N 3.17Å; A37-V40 PolarHBondContact O-N 3.49Å; Y38-V40 VanDerWaalsContact C-N 3.34Å; Y38-V40 PolarHBondContact O-N 3.13Å; V40-L44 WeakPolarHBondContact O-CB 3.39Å
41L59.5Low54.9Low61 Ų6172 Ų7232%0.31938%0.377SS..Iπ-helixtrans-78.6-39.7-173.7-66.4172000112.5M4 Y7 A37 Y38M4-L41 HydrophobicContact CE-CD2 4.49Å; M4-L41 HydrophobicContact SD-CD2 3.85Å; Y7-L41 HydrophobicContact CE1-CD1 4.14Å; A37-L41 WeakPolarHBondContact O-CB 3.4Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.42Å; A37-L41 PolarHBondContact O-N 2.93Å; Y38-L41 PolarHBondContact O-N 2.96Å
42C62.3Low53.8Low8 Ų876.5 Ų76.55%0.05440%0.4CS..Iπ-helixtrans-112.5-45.7-165.3-56.60000113.6C8 Y38 E45 E46C8-C42 WeakPolarHBondContact CA-SG 3.47Å; C8-C42 HydrophobicContact CB-CB 3.64Å; C8-C42 WeakPolarHBondContact CB-SG 3.13Å; C8-C42 WeakPolarHBondContact SG-CA 3.26Å; C8-C42 WeakPolarHBondContact SG-CB 3.4Å; C8-C42 CovalentContact SG-SG 2.03Å; C8-C42 PolarHBondContact SG-SG 3.33Å; Y38-C42 HydrophobicContact CD1-CB 3.97Å; Y38-C42 HydrophobicContact CD2-CB 4.37Å; Y38-C42 HydrophobicContact CE1-CB 3.63Å; Y38-C42 HydrophobicContact CE2-CB 4.07Å; Y38-C42 HydrophobicContact CG-CB 4.31Å; Y38-C42 WeakPolarHBondContact O-CA 3.43Å; Y38-C42 VanDerWaalsContact O-CB 3.28Å; Y38-C42 WeakPolarHBondContact O-CB 3.21Å; Y38-C42 PolarHBondContact O-N 3.45Å; C42-E45 PolarHBondContact O-N 3.22Å; C42-E46 PolarHBondContact O-N 3.4Å
43K59.6Low53.1Low78 Ų7876.9 Ų76.934%0.33941%0.411SS..Iπ-helixtrans-71.2-35.9-179.9-102.5-171176.2173.70112.6Y15 Y38 G39 E45 E46 Q47Y15-K43 HydrophobicContact CE1-CD 4.29Å; Y15-K43 PolarHBondContact OH-NZ 2.97Å; Y38-K43 PolarHBondContact O-N 3.23Å; G39-K43 WeakPolarHBondContact O-CB 3.28Å; G39-K43 PolarHBondContact O-N 3.08Å; K43-E45 VanDerWaalsContact C-N 3.29Å; K43-E45 PolarHBondContact O-N 3.37Å; K43-E46 PolarHBondContact O-N 3.47Å; K43-Q47 PolarHBondContact O-N 2.82Å; K43-Q47 VanDerWaalsContact O-N 3.17Å
44L46.4Very low52.4Low39 Ų3978 Ų7820%0.20442%0.422CS..Hα-helixtrans-66.3-34.5178.1-147.579.8000111.2G39 V40 C48 H66 P68G39-L44 PolarHBondContact O-N 3.1Å; V40-L44 WeakPolarHBondContact O-CB 3.39Å; L44-C48 WeakPolarHBondContact O-CB 3.21Å; L44-C48 PolarHBondContact O-N 2.87Å; L44-C48 VanDerWaalsContact O-N 3.08Å; L44-H66 HydrophobicContact CD1-CB 4.45Å; L44-H66 WeakPolarHBondContact CD2-O 3.4Å; L44-P68 HydrophobicContact CD2-CB 3.95Å; L44-P68 HydrophobicContact CD2-CG 3.9Å
45E44.1Very low51.1Low84 Ų8478.6 Ų78.639%0.39343%0.432SS..Hα-helixtrans-68.1-45.2175.4-100.7-174.7172.700112.7C42 K43 Q47 C48 Q49C42-E45 PolarHBondContact O-N 3.22Å; K43-E45 VanDerWaalsContact C-N 3.29Å; K43-E45 PolarHBondContact O-N 3.37Å; E45-Q47 VanDerWaalsContact C-N 3.34Å; E45-Q47 PolarHBondContact O-N 3.1Å; E45-C48 PolarHBondContact O-N 3.34Å; E45-Q49 PolarHBondContact O-N 3.42Å
46E47.9Very low49.8Very low112 Ų11280.6 Ų80.652%0.52345%0.446SS..Hα-helixtrans-58.8-45.3175.7-99.3-176.3163.200111.4C42 K43 C48 Q49 Q50C42-E46 PolarHBondContact O-N 3.4Å; K43-E46 PolarHBondContact O-N 3.47Å; E46-C48 VanDerWaalsContact C-N 3.33Å; E46-C48 PolarHBondContact O-N 3.02Å; E46-Q49 PolarHBondContact O-N 3Å; E46-Q50 PolarHBondContact O-N 3.34Å; E46-Q50 PolarHBondContact O-OE1 3.21Å
47Q45.6Very low48.7Very low118 Ų11885.6 Ų85.655%0.55146%0.46SS*.Hα-helixtrans-66.6-34.4179.5-72.3-177.7-9.300112.7K43 E45 Q50K43-Q47 PolarHBondContact O-N 2.82Å; K43-Q47 VanDerWaalsContact O-N 3.17Å; E45-Q47 VanDerWaalsContact C-N 3.34Å; E45-Q47 PolarHBondContact O-N 3.1Å; Q47-Q50 PolarHBondContact O-N 3.5Å
48C38.3Very low47.6Very low51 Ų5194 Ų9435%0.34548%0.484SS..Hα-helixtrans-69.6-35.2173.3-81.10000112.6L44 E45 E46 Q50 C51L44-C48 WeakPolarHBondContact O-CB 3.21Å; L44-C48 PolarHBondContact O-N 2.87Å; L44-C48 VanDerWaalsContact O-N 3.08Å; E45-C48 PolarHBondContact O-N 3.34Å; E46-C48 VanDerWaalsContact C-N 3.33Å; E46-C48 PolarHBondContact O-N 3.02Å; C48-Q50 VanDerWaalsContact C-N 3.28Å; C48-Q50 PolarHBondContact O-N 3.31Å; C48-C51 PolarHBondContact O-N 2.79Å
49Q43.4Very low45.9Very low164 Ų16496.2 Ų96.277%0.76650%0.501SS*.Hα-helixtrans-67-29176.4-79.5-175.2-9.500113E45 E46 C51E45-Q49 PolarHBondContact O-N 3.42Å; E46-Q49 PolarHBondContact O-N 3Å; Q49-C51 VanDerWaalsContact C-N 3.29Å
50Q43.4Very low44.6Very low159 Ų159100 Ų10074%0.74352%0.522SS*.Hα-helixtrans-73.6-19174.4-11586.234.400113.8E46 Q47 C48 E52E46-Q50 PolarHBondContact O-N 3.34Å; E46-Q50 PolarHBondContact O-OE1 3.21Å; Q47-Q50 PolarHBondContact O-N 3.5Å; C48-Q50 VanDerWaalsContact C-N 3.28Å; C48-Q50 PolarHBondContact O-N 3.31Å; Q50-E52 PolarHBondContact O-N 2.7Å
51C36.9Very low43.7Very low72 Ų72104.4 Ų104.449%0.48654%0.536SS..SBendtrans-80.999.1176.4-69.40000108.8C48 Q49C48-C51 PolarHBondContact O-N 2.79Å; Q49-C51 VanDerWaalsContact C-N 3.29Å
52E41.2Very low42.5Very low156 Ų156109.9 Ų109.973%0.72956%0.56SS**  trans-49.4136.2163.9-94.8-177.4130.600109.1Q50 D54 A55Q50-E52 PolarHBondContact O-N 2.7Å; E52-D54 PolarHBondContact O-N 3.31Å; E52-A55 WeakPolarHBondContact O-CB 3.41Å; E52-A55 PolarHBondContact O-N 3.37Å
53P43.9Very low41.2Very low110 Ų110112.3 Ų112.371%0.71458%0.58SS**G310 helixtrans-56.6-27.7-169.918.3-30.5000113.4A55 C56P53-A55 VanDerWaalsContact C-N 3.3Å; P53-A55 PolarHBondContact O-N 2.84Å; P53-C56 PolarHBondContact O-N 2.92Å
54D44.2Very low40Very low121 Ų121110.7 Ų110.765%0.64758%0.578SS**G310 helixtrans-73.7-16.6178.9-69-6.8000113.7E52E52-D54 PolarHBondContact O-N 3.31Å
55A41.7Very low39.4Very low44 Ų44112.4 Ų112.436%0.36459%0.594SS.*G310 helixtrans-75.3-26.8177.800000112.5E52 P53 E57 R58 C59E52-A55 WeakPolarHBondContact O-CB 3.41Å; E52-A55 PolarHBondContact O-N 3.37Å; P53-A55 VanDerWaalsContact C-N 3.3Å; P53-A55 PolarHBondContact O-N 2.84Å; A55-E57 VanDerWaalsContact C-N 3.25Å; A55-E57 PolarHBondContact O-N 3.42Å; A55-R58 PolarHBondContact O-N 3.07Å; A55-C59 PolarHBondContact O-N 2.74Å
56C38.9Very low39Very low70 Ų70113.8 Ų113.847%0.47360%0.6SS.*THydrogen-bonded Turntrans-64.4-26.8178.9-90.90000113.3P53P53-C56 PolarHBondContact O-N 2.92Å
57E38.3Very low38.1Very low183 Ų183111.4 Ų111.486%0.85560%0.595SS**THydrogen-bonded Turntrans-75.4-24.7176.5-77.6-165.7155.600113.5A55A55-E57 VanDerWaalsContact C-N 3.25Å; A55-E57 PolarHBondContact O-N 3.42Å
58R37.8Very low37.5Very low215 Ų215110.4 Ų110.481%0.81160%0.599SS**THydrogen-bonded Turntrans-99.5-10.8-174.3-65-173.4-151.5170.610.3114.3A55A55-R58 PolarHBondContact O-N 3.07Å
59C29.4Very low37Very low60 Ų60115.9 Ų115.941%0.40562%0.624SS.*SBendtrans-81.5125.9178.5-77.40000110.8A55 Q61 A63A55-C59 PolarHBondContact O-N 2.74Å; C59-Q61 PolarHBondContact O-N 2.97Å; C59-A63 HydrophobicContact CB-CB 4.27Å
60P35.8Very low36.3Very low103 Ų103115.4 Ų115.467%0.66962%0.622SS**  trans-54.6139.1169.8-16.528.3000108.9E62 A63P60-E62 PolarHBondContact O-N 2.89Å; P60-A63 PolarHBondContact O-N 3.38Å
61Q38.3Very low35.7Very low184 Ų184119 Ų11986%0.8663%0.628SS**THydrogen-bonded Turntrans-47.2-20.7-168.4-74.1-177.3-29.500116C59 A63C59-Q61 PolarHBondContact O-N 2.97Å; Q61-A63 VanDerWaalsContact C-N 3.34Å; Q61-A63 PolarHBondContact O-N 3.09Å
62E34.6Very low35.4Very low176 Ų176123 Ų12382%0.82264%0.64SS**THydrogen-bonded Turntrans-64.9-33.1176.7-66.3-177.9166.200113.3P60 S65P60-E62 PolarHBondContact O-N 2.89Å; E62-S65 PolarHBondContact O-OG 3.39Å
63A35Very low34.7Very low59 Ų59120.7 Ų120.749%0.48863%0.632SS.*G310 helixtrans-85.3-20.2-179.600000114C59 P60 Q61 S65C59-A63 HydrophobicContact CB-CB 4.27Å; P60-A63 PolarHBondContact O-N 3.38Å; Q61-A63 VanDerWaalsContact C-N 3.34Å; Q61-A63 PolarHBondContact O-N 3.09Å; A63-S65 PolarHBondContact O-N 3.32Å
64C35.1Very low33.9Very low44 Ų44120 Ų12030%0.29763%0.627SS.*G310 helixtrans-84.36.3176.1-76.90000113.6H66 C67C64-H66 PolarHBondContact O-N 2.85Å; C64-H66 VanDerWaalsContact O-N 3.07Å; C64-C67 PolarHBondContact O-N 3.13Å
65S33.2Very low33.2Very low76 Ų76117.3 Ų117.353%0.53162%0.622SS.*G310 helixtrans-62.7-9.3173.755.60000113.7E62 A63E62-S65 PolarHBondContact O-OG 3.39Å; A63-S65 PolarHBondContact O-N 3.32Å
66H35.4Very low32.5Very low113 Ų113118.3 Ų118.352%0.52363%0.631SS.*G310 helixtrans-91.64.3-179.3-66.5-52000115.5L44 C64 P68L44-H66 HydrophobicContact CD1-CB 4.45Å; L44-H66 WeakPolarHBondContact CD2-O 3.4Å; C64-H66 PolarHBondContact O-N 2.85Å; C64-H66 VanDerWaalsContact O-N 3.07Å; H66-P68 WeakPolarHBondContact O-CD 3.5Å
67C30.9Very low32Very low62 Ų62119 Ų11942%0.41963%0.632SS.*  trans-89.3112.6175.8-135.40000110.6C64 L69 Q70C64-C67 PolarHBondContact O-N 3.13Å; C67-L69 PolarHBondContact O-N 3.43Å; C67-Q70 PolarHBondContact O-N 3.48Å; C67-Q70 VanDerWaalsContact O-N 3.11Å
68P31.8Very low31.7Very low96 Ų96115.7 Ų115.762%0.62363%0.625SS**THydrogen-bonded Turntrans-70.1-7.3-16726.2-33.5000114.8L44 H66 Q70L44-P68 HydrophobicContact CD2-CB 3.95Å; L44-P68 HydrophobicContact CD2-CG 3.9Å; H66-P68 WeakPolarHBondContact O-CD 3.5Å; P68-Q70 VanDerWaalsContact C-N 3.31Å
69L28Very low31.4Very low166 Ų166108 Ų10887%0.86960%0.604SS**THydrogen-bonded Turntrans-77.2-16.5173.5-92.4153.3000113.3C67 R71C67-L69 PolarHBondContact O-N 3.43Å; L69-R71 PolarHBondContact O-N 3.09Å
70Q28.7Very low31.7Very low155 Ų155112.6 Ų112.672%0.72462%0.624SS**SBendtrans-102.680.6174-140.394.315.200109.9C67 P68 Q72C67-Q70 PolarHBondContact O-N 3.48Å; C67-Q70 VanDerWaalsContact O-N 3.11Å; P68-Q70 VanDerWaalsContact C-N 3.31Å; Q70-Q72 PolarHBondContact O-N 3.27Å
71R30.6Very low31.5Very low233 Ų233114.1 Ų114.188%0.87963%0.627SS**  trans-40.5112.4161.3-72.6176.4179.1171.5-0.2110.3L69L69-R71 PolarHBondContact O-N 3.09Å
72Q30.4Very low30.8Very low158 Ų158113.3 Ų113.374%0.73862%0.616SS**  trans-114.6106.9150.1-71.8-171.7-4.800106.4Q70Q70-Q72 PolarHBondContact O-N 3.27Å
73L26.9Very low30.5Very low106 Ų106109.7 Ų109.756%0.55561%0.608SS**  trans-43.7135.4151.8-89.879.1000106.5A75L73-A75 PolarHBondContact O-N 3.29Å
74P26.2Very low30.3Very low95 Ų95112.6 Ų112.662%0.61762%0.624SS**  trans-47130.5-173.415.8-29000109.5A76 V77P74-A76 PolarHBondContact O-N 2.81Å; P74-V77 PolarHBondContact O-N 2.85Å
75A29.7Very low30.1Very low65 Ų65115.9 Ų115.954%0.53763%0.634SS.*G310 helixtrans-49.8-17.1-173.900000114.3L73 V77 T78 S79L73-A75 PolarHBondContact O-N 3.29Å; A75-V77 PolarHBondContact O-N 2.98Å; A75-T78 PolarHBondContact O-N 3.36Å; A75-T78 PolarHBondContact O-OG1 3.39Å; A75-S79 PolarHBondContact O-N 3.44Å
76A27.5Very low30.1Very low66 Ų66115.9 Ų115.955%0.54563%0.628SS.*G310 helixtrans-53.5-29.4167.700000114.4P74P74-A76 PolarHBondContact O-N 2.81Å
77V28.2Very low30.2Very low84 Ų84116.6 Ų116.651%0.50964%0.643SS.*G310 helixtrans-80.4-26.7180-176.30000112P74 A75P74-V77 PolarHBondContact O-N 2.85Å; A75-V77 PolarHBondContact O-N 2.98Å
78T32.3Very low30.6Very low114 Ų114122.9 Ų122.970%0.69966%0.658SS**THydrogen-bonded Turntrans-94.3-15.1-175.244.10000114.4A75A75-T78 PolarHBondContact O-N 3.36Å; A75-T78 PolarHBondContact O-OG1 3.39Å
79S32.2Very low31.1Very low52 Ų52124.3 Ų124.336%0.36466%0.656SS.*  trans-94.7116.9176.196.30000109.9A75 N81A75-S79 PolarHBondContact O-N 3.44Å; S79-N81 PolarHBondContact O-N 2.89Å; S79-N81 PolarHBondContact OG-O 2.03Å
80N34.5Very low31.8Very low157 Ų157121.3 Ų121.384%0.8464%0.644SS**SBendtrans-60.8-1.3170.7-67.6-26.7000113.3W82N80-W82 PolarHBondContact O-N 2.92Å
81N32.5Very low32.9Very low136 Ų136118 Ų11873%0.72763%0.632SS**  trans-9274.6173.3-68.4-10.4000108.8S79 P83S79-N81 PolarHBondContact O-N 2.89Å; S79-N81 PolarHBondContact OG-O 2.03Å; N81-P83 WeakPolarHBondContact O-CD 3.22Å; N81-P83 VanDerWaalsContact O-N 3.14Å
82W23.7Very low34.2Very low167 Ų167108.6 Ų108.663%0.63360%0.597SS**  trans-60.8113.1166.6-78.571000108.1N80 S84 F85N80-W82 PolarHBondContact O-N 2.92Å; W82-S84 PolarHBondContact O-N 3.24Å; W82-S84 VanDerWaalsContact O-N 3.16Å; W82-F85 AromaticContact CE3-CD2 3.7Å; W82-F85 HydrophobicContact CE3-CD2 3.7Å; W82-F85 AromaticContact CE3-CE2 3.68Å; W82-F85 HydrophobicContact CE3-CE2 3.68Å; W82-F85 AromaticContact CZ3-CD2 3.97Å; W82-F85 HydrophobicContact CZ3-CD2 3.97Å; W82-F85 AromaticContact CZ3-CE2 3.76Å; W82-F85 HydrophobicContact CZ3-CE2 3.76Å
83P28.1Very low35.7Very low100 Ų100102.5 Ų102.565%0.64957%0.572SS**  trans-62.2124.6163.721.3-18.3000105.8N81 F85N81-P83 WeakPolarHBondContact O-CD 3.22Å; N81-P83 VanDerWaalsContact O-N 3.14Å; P83-F85 VanDerWaalsContact O-CD2 3.31Å; P83-F85 WeakPolarHBondContact O-CD2 3.49Å; P83-F85 PolarHBondContact O-N 3.33Å
84S31Very low37.2Very low119 Ų119102 Ų10283%0.83257%0.57SS**  trans-43.9100.2177.2440000110.2W82 D86W82-S84 PolarHBondContact O-N 3.24Å; W82-S84 VanDerWaalsContact O-N 3.16Å; S84-D86 PolarHBondContact O-N 3.17Å; S84-D86 VanDerWaalsContact O-N 3.15Å
85F29.8Very low38.6Very low114 Ų114101.5 Ų101.550%0.557%0.568SS.*  trans-64.1113-175.7-97.3-98.3000109W82 P83 P87W82-F85 AromaticContact CE3-CD2 3.7Å; W82-F85 HydrophobicContact CE3-CD2 3.7Å; W82-F85 AromaticContact CE3-CE2 3.68Å; W82-F85 HydrophobicContact CE3-CE2 3.68Å; W82-F85 AromaticContact CZ3-CD2 3.97Å; W82-F85 HydrophobicContact CZ3-CD2 3.97Å; W82-F85 AromaticContact CZ3-CE2 3.76Å; W82-F85 HydrophobicContact CZ3-CE2 3.76Å; P83-F85 VanDerWaalsContact O-CD2 3.31Å; P83-F85 WeakPolarHBondContact O-CD2 3.49Å; P83-F85 PolarHBondContact O-N 3.33Å; F85-P87 WeakPolarHBondContact O-CD 3.24Å
86D34.7Very low40.2Very low75 Ų75101.8 Ų101.840%0.40156%0.558SS.*  trans-63.4122.3174.6-169.5-38.8000108.7S84 R88S84-D86 PolarHBondContact O-N 3.17Å; S84-D86 VanDerWaalsContact O-N 3.15Å; D86-R88 PolarHBondContact O-N 2.91Å; D86-R88 WeakPolarHBondContact OD1-CB 3.3Å; D86-R88 IonicContact OD1-CZ 2.62Å; D86-R88 PolarHBondContact OD1-N 3.21Å; D86-R88 IonicContact OD1-NE 3.74Å; D86-R88 PolarHBondContact OD1-NE 3.34Å; D86-R88 VanDerWaalsContact OD1-NE 3.08Å; D86-R88 IonicContact OD1-NH2 3.02Å; D86-R88 IonicContact OD2-CZ 3.74Å; D86-R88 IonicContact OD2-NE 3.01Å; D86-R88 IonicContact OD2-NH2 2.64Å; D86-R88 PolarHBondContact OD2-NH2 3.33Å
87P35.9Very low42Very low129 Ų129103.7 Ų103.784%0.83855%0.551SS**THydrogen-bonded Turntrans-60.1-6.2-176.6-23.332.4000115.9F85F85-P87 WeakPolarHBondContact O-CD 3.24Å
88R41.1Very low43.2Very low194 Ų194102.7 Ų102.773%0.73254%0.542SS*.THydrogen-bonded Turntrans-92.6-3.9-172.7-71.2177.1-76.1-175.4-1.1115.6D86 T90D86-R88 PolarHBondContact O-N 2.91Å; D86-R88 WeakPolarHBondContact OD1-CB 3.3Å; D86-R88 IonicContact OD1-CZ 2.62Å; D86-R88 PolarHBondContact OD1-N 3.21Å; D86-R88 IonicContact OD1-NE 3.74Å; D86-R88 PolarHBondContact OD1-NE 3.34Å; D86-R88 VanDerWaalsContact OD1-NE 3.08Å; D86-R88 IonicContact OD1-NH2 3.02Å; D86-R88 IonicContact OD2-CZ 3.74Å; D86-R88 IonicContact OD2-NE 3.01Å; D86-R88 IonicContact OD2-NH2 2.64Å; D86-R88 PolarHBondContact OD2-NH2 3.33Å; R88-T90 PolarHBondContact O-N 2.98Å
89H41.9Very low44.5Very low125 Ų125100.1 Ų100.158%0.57953%0.526SS*.  trans-78.492.8176.3-84.561.1000110.7D91 F92H89-D91 HydrophobicContact CB-CB 4.36Å; H89-D91 IonicContact CD2-OD2 2.94Å; H89-D91 PolarHBondContact CD2-OD2 3.12Å; H89-D91 PolarHBondContact O-N 3.11Å; H89-F92 PolarHBondContact O-N 3.32Å; H89-F92 VanDerWaalsContact O-N 3.16Å
90T41.3Very low46Very low103 Ų10398 Ų9863%0.63251%0.512SS*.THydrogen-bonded Turntrans-42.9-26.7159.842.70000112.8R88 F92 C93 D94R88-T90 PolarHBondContact O-N 2.98Å; T90-F92 VanDerWaalsContact C-N 3.26Å; T90-F92 PolarHBondContact O-N 3.16Å; T90-C93 PolarHBondContact O-N 2.95Å; T90-D94 PolarHBondContact O-N 3.06Å
91D53.7Low47.3Very low87 Ų8794 Ų9447%0.46549%0.493SS..Hα-helixtrans-59.2-29.2179.9-59.4-8.3000114.1H89 S95H89-D91 HydrophobicContact CB-CB 4.36Å; H89-D91 IonicContact CD2-OD2 2.94Å; H89-D91 PolarHBondContact CD2-OD2 3.12Å; H89-D91 PolarHBondContact O-N 3.11Å; D91-S95 WeakPolarHBondContact O-CB 3.39Å; D91-S95 PolarHBondContact O-N 3Å; D91-S95 PolarHBondContact O-OG 3.31Å
92F56.3Low48.6Very low34 Ų3493.3 Ų93.315%0.14949%0.486CS..Hα-helixtrans-62.8-49.7178.9177-96.3000111H89 T90 D94 F96 L118 Y119H89-F92 PolarHBondContact O-N 3.32Å; H89-F92 VanDerWaalsContact O-N 3.16Å; T90-F92 VanDerWaalsContact C-N 3.26Å; T90-F92 PolarHBondContact O-N 3.16Å; F92-D94 VanDerWaalsContact C-N 3.31Å; F92-D94 PolarHBondContact O-N 3.45Å; F92-F96 AromaticContact CD2-CD2 3.44Å; F92-F96 HydrophobicContact CD2-CD2 3.44Å; F92-F96 VanDerWaalsContact CD2-CD2 3.44Å; F92-F96 AromaticContact CD2-CE2 3.49Å; F92-F96 HydrophobicContact CD2-CE2 3.49Å; F92-F96 VanDerWaalsContact CD2-CE2 3.49Å; F92-F96 AromaticContact CE2-CD2 3.41Å; F92-F96 HydrophobicContact CE2-CD2 3.41Å; F92-F96 VanDerWaalsContact CE2-CD2 3.41Å; F92-F96 AromaticContact CE2-CE2 3.52Å; F92-F96 HydrophobicContact CE2-CE2 3.52Å; F92-F96 HydrophobicContact CE2-CG 4.37Å; F92-F96 HydrophobicContact CG-CD2 4.07Å; F92-F96 HydrophobicContact CG-CE2 4.47Å; F92-F96 HydrophobicContact CZ-CD2 4.03Å; F92-F96 VanDerWaalsContact O-CD2 3.25Å; F92-F96 WeakPolarHBondContact O-CD2 3.24Å; F92-F96 PolarHBondContact O-N 2.96Å; F92-F96 VanDerWaalsContact O-N 3.11Å; F92-L118 HydrophobicContact CE1-CD2 4.37Å; F92-L118 HydrophobicContact CZ-CB 4.46Å; F92-L118 HydrophobicContact CZ-CD2 3.95Å; F92-Y119 HydrophobicContact CE1-CD2 4.22Å
93C61.9Low50.4Low30 Ų3090.5 Ų90.520%0.20348%0.478CS..Hα-helixtrans-67.8-34.7-177-66.40000112.1T90 R97 Y119 C123T90-C93 PolarHBondContact O-N 2.95Å; C93-R97 WeakPolarHBondContact O-CA 3.48Å; C93-R97 VanDerWaalsContact O-CB 3.26Å; C93-R97 WeakPolarHBondContact O-CB 3.21Å; C93-R97 PolarHBondContact O-N 2.92Å; C93-R97 VanDerWaalsContact O-N 3.14Å; C93-Y119 HydrophobicContact CB-CE2 4.49Å; C93-Y119 VanDerWaalsContact O-CE2 3.29Å; C93-Y119 WeakPolarHBondContact O-CE2 3.35Å; C93-Y119 PolarHBondContact O-OH 2.63Å; C93-Y119 VanDerWaalsContact O-OH 3.09Å; C93-C123 WeakPolarHBondContact CA-SG 3.22Å; C93-C123 HydrophobicContact CB-CB 3.84Å; C93-C123 WeakPolarHBondContact CB-SG 3.42Å; C93-C123 WeakPolarHBondContact SG-CA 3.47Å; C93-C123 WeakPolarHBondContact SG-CB 3.49Å; C93-C123 CovalentContact SG-SG 2.04Å; C93-C123 PolarHBondContact SG-SG 2.83Å
94D58.6Low52.2Low96 Ų9686.5 Ų86.551%0.51345%0.452SS..Hα-helixtrans-75.3-42.4178.2-74.5-35.8000112.4T90 F92 F96 R97T90-D94 PolarHBondContact O-N 3.06Å; F92-D94 VanDerWaalsContact C-N 3.31Å; F92-D94 PolarHBondContact O-N 3.45Å; D94-F96 PolarHBondContact O-N 2.82Å; D94-R97 PolarHBondContact O-N 3.07Å
95S55.2Low53.8Low84 Ų8488.4 Ų88.459%0.58745%0.445SS*.Hα-helixtrans-63.8-40.7179.8-59.80000112.1D91D91-S95 WeakPolarHBondContact O-CB 3.39Å; D91-S95 PolarHBondContact O-N 3Å; D91-S95 PolarHBondContact O-OG 3.31Å
96F64Low54.9Low72 Ų7283.5 Ų83.532%0.31643%0.427SS..THydrogen-bonded Turntrans-94.4-0.4-177.9-65.5-72.4000113.6F92 D94 L98 V99 A100 L115 Y119F92-F96 AromaticContact CD2-CD2 3.44Å; F92-F96 HydrophobicContact CD2-CD2 3.44Å; F92-F96 VanDerWaalsContact CD2-CD2 3.44Å; F92-F96 AromaticContact CD2-CE2 3.49Å; F92-F96 HydrophobicContact CD2-CE2 3.49Å; F92-F96 VanDerWaalsContact CD2-CE2 3.49Å; F92-F96 AromaticContact CE2-CD2 3.41Å; F92-F96 HydrophobicContact CE2-CD2 3.41Å; F92-F96 VanDerWaalsContact CE2-CD2 3.41Å; F92-F96 AromaticContact CE2-CE2 3.52Å; F92-F96 HydrophobicContact CE2-CE2 3.52Å; F92-F96 HydrophobicContact CE2-CG 4.37Å; F92-F96 HydrophobicContact CG-CD2 4.07Å; F92-F96 HydrophobicContact CG-CE2 4.47Å; F92-F96 HydrophobicContact CZ-CD2 4.03Å; F92-F96 VanDerWaalsContact O-CD2 3.25Å; F92-F96 WeakPolarHBondContact O-CD2 3.24Å; F92-F96 PolarHBondContact O-N 2.96Å; F92-F96 VanDerWaalsContact O-N 3.11Å; D94-F96 PolarHBondContact O-N 2.82Å; F96-L98 PolarHBondContact O-N 2.02Å; F96-V99 PolarHBondContact O-N 2.89Å; F96-A100 VanDerWaalsContact O-CB 3.22Å; F96-A100 WeakPolarHBondContact O-CB 3.34Å; F96-A100 PolarHBondContact O-N 3.22Å; F96-L115 HydrophobicContact CD1-CD1 3.91Å; F96-L115 HydrophobicContact CD1-CD2 3.99Å; F96-L115 HydrophobicContact CD1-CG 4.4Å; F96-L115 HydrophobicContact CE1-CD1 3.82Å; F96-L115 HydrophobicContact CE1-CD2 4.39Å; F96-L115 HydrophobicContact CG-CD1 4.4Å; F96-L115 HydrophobicContact CZ-CD1 4.25Å; F96-Y119 HydrophobicContact CB-CD2 3.79Å; F96-Y119 HydrophobicContact CB-CE2 3.98Å
97R64.3Low55.9Low105 Ų10584.4 Ų84.440%0.39643%0.428SS..Hα-helixtrans-56.6-47-176.1-169168.861.3158-0.1113.5C93 D94 A100 T101 Y119C93-R97 WeakPolarHBondContact O-CA 3.48Å; C93-R97 VanDerWaalsContact O-CB 3.26Å; C93-R97 WeakPolarHBondContact O-CB 3.21Å; C93-R97 PolarHBondContact O-N 2.92Å; C93-R97 VanDerWaalsContact O-N 3.14Å; D94-R97 PolarHBondContact O-N 3.07Å; R97-A100 PolarHBondContact O-N 3.02Å; R97-T101 HydrophobicContact CG-CG2 4.47Å; R97-T101 WeakPolarHBondContact O-CB 3.25Å; R97-T101 VanDerWaalsContact O-CG2 3.3Å; R97-T101 WeakPolarHBondContact O-CG2 3.03Å; R97-T101 PolarHBondContact O-N 3.32Å; R97-T101 PolarHBondContact O-OG1 2.8Å; R97-Y119 WeakPolarHBondContact CA-OH 3.18Å
98L53.8Low56.5Low64 Ų6481.1 Ų81.134%0.33540%0.401SS..Hα-helixtrans-66.1-47-179.1-88.5142.2000111.6F96 A100 T101 E102F96-L98 PolarHBondContact O-N 2.02Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 3.49Å; L98-T101 WeakPolarHBondContact CA-OG1 3.45Å; L98-T101 PolarHBondContact O-N 3.41Å; L98-T101 PolarHBondContact O-OG1 3.44Å; L98-T101 VanDerWaalsContact O-OG1 3.07Å; L98-E102 WeakPolarHBondContact O-CB 3.42Å; L98-E102 PolarHBondContact O-N 3.29Å
99V59.9Low57Low59 Ų5978.4 Ų78.436%0.35840%0.4SS..Hα-helixtrans-61-43.9176.8-176.80000110.1F96 K103 L112 L115F96-V99 PolarHBondContact O-N 2.89Å; V99-K103 HydrophobicContact CG1-CB 4.47Å; V99-K103 HydrophobicContact CG1-CG 4.26Å; V99-K103 WeakPolarHBondContact O-CA 3.3Å; V99-K103 WeakPolarHBondContact O-CB 3.5Å; V99-K103 WeakPolarHBondContact O-CG 3.13Å; V99-K103 PolarHBondContact O-N 3.46Å; V99-L112 HydrophobicContact CG1-CD1 4.46Å; V99-L115 HydrophobicContact CG1-CD2 4.17Å
100A63.8Low57.9Low8 Ų874.5 Ų74.57%0.06639%0.394CS..Hα-helixtrans-67-43.7-178.600000112.7F96 R97 L98 C104 Y119F96-A100 VanDerWaalsContact O-CB 3.22Å; F96-A100 WeakPolarHBondContact O-CB 3.34Å; F96-A100 PolarHBondContact O-N 3.22Å; R97-A100 PolarHBondContact O-N 3.02Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 3.49Å; A100-C104 WeakPolarHBondContact CA-SG 3.04Å; A100-C104 HydrophobicContact CB-CB 4.49Å; A100-C104 WeakPolarHBondContact O-CA 3.41Å; A100-C104 WeakPolarHBondContact O-CB 3.45Å; A100-C104 PolarHBondContact O-N 3.4Å; A100-Y119 HydrophobicContact CB-CD1 3.39Å; A100-Y119 HydrophobicContact CB-CD2 3.83Å; A100-Y119 HydrophobicContact CB-CE1 3.54Å; A100-Y119 HydrophobicContact CB-CE2 3.96Å; A100-Y119 HydrophobicContact CB-CG 3.55Å
101T61.1Low58.6Low72 Ų7273.7 Ų73.744%0.44239%0.391SS..Hα-helixtrans-67.4-37.117947.60000112.7R97 L98 P126R97-T101 HydrophobicContact CG-CG2 4.47Å; R97-T101 WeakPolarHBondContact O-CB 3.25Å; R97-T101 VanDerWaalsContact O-CG2 3.3Å; R97-T101 WeakPolarHBondContact O-CG2 3.03Å; R97-T101 PolarHBondContact O-N 3.32Å; R97-T101 PolarHBondContact O-OG1 2.8Å; L98-T101 WeakPolarHBondContact CA-OG1 3.45Å; L98-T101 PolarHBondContact O-N 3.41Å; L98-T101 PolarHBondContact O-OG1 3.44Å; L98-T101 VanDerWaalsContact O-OG1 3.07Å; T101-P126 HydrophobicContact CG2-CG 4.21Å
102E59.7Low59Low122 Ų12272.2 Ų72.257%0.5738%0.383SS*.Hα-helixtrans-84-37179.8-71.9-167.6170.800114L98 K105L98-E102 WeakPolarHBondContact O-CB 3.42Å; L98-E102 PolarHBondContact O-N 3.29Å; E102-K105 VanDerWaalsContact O-CE 3.24Å; E102-K105 WeakPolarHBondContact O-CE 3.45Å
103K62.3Low59.2Low108 Ų10871 Ų7147%0.4738%0.379SS..Hα-helixtrans-107.1-28.2-169.9-53.5-63.6-177.1179.90113.7V99 K105 E108 L112V99-K103 HydrophobicContact CG1-CB 4.47Å; V99-K103 HydrophobicContact CG1-CG 4.26Å; V99-K103 WeakPolarHBondContact O-CA 3.3Å; V99-K103 WeakPolarHBondContact O-CB 3.5Å; V99-K103 WeakPolarHBondContact O-CG 3.13Å; V99-K103 PolarHBondContact O-N 3.46Å; K103-K105 PolarHBondContact O-N 2.9Å; K103-E108 VanDerWaalsContact O-CG 3.26Å; K103-E108 WeakPolarHBondContact O-CG 3.41Å; K103-L112 HydrophobicContact CB-CD1 4.28Å; K103-L112 HydrophobicContact CB-CD2 4.35Å
104C65.8Low59.4Low17 Ų1776.3 Ų76.312%0.11540%0.401CS..  trans-82.756.3-174.8-59.60000114A100 G106 C116 R120A100-C104 WeakPolarHBondContact CA-SG 3.04Å; A100-C104 HydrophobicContact CB-CB 4.49Å; A100-C104 WeakPolarHBondContact O-CA 3.41Å; A100-C104 WeakPolarHBondContact O-CB 3.45Å; A100-C104 PolarHBondContact O-N 3.4Å; C104-G106 VanDerWaalsContact C-N 3.28Å; C104-G106 PolarHBondContact O-N 2.86Å; C104-C116 WeakPolarHBondContact CA-SG 3Å; C104-C116 HydrophobicContact CB-CB 3.58Å; C104-C116 WeakPolarHBondContact CB-SG 3.23Å; C104-C116 WeakPolarHBondContact SG-CA 3.48Å; C104-C116 WeakPolarHBondContact SG-CB 3.48Å; C104-C116 CovalentContact SG-SG 2.02Å; C104-C116 PolarHBondContact SG-SG 3.01Å; C104-R120 PolarHBondContact O-NH2 3.34Å
105K63.9Low59.6Low158 Ų15873.9 Ų73.969%0.68739%0.388SS*.SBendtrans-76.3-6.5-176.6-63.6-174.5-177.9179.80115.1E102 K103E102-K105 VanDerWaalsContact O-CE 3.24Å; E102-K105 WeakPolarHBondContact O-CE 3.45Å; K103-K105 PolarHBondContact O-N 2.9Å
106G54.5Low60.3Low11 Ų1170 Ų7011%0.11336%0.361CS..SBendtrans119.6-12.2177.500000115.8C104 R120C104-G106 VanDerWaalsContact C-N 3.28Å; C104-G106 PolarHBondContact O-N 2.86Å; G106-R120 VanDerWaalsContact N-NH2 3.15Å
107F54.7Low60.4Low94 Ų9469.5 Ų69.541%0.41236%0.361SS..  trans-125.512.8-165.5-55.6-79000114.1K135 A313F107-K135 HydrophobicContact CZ-CD 4.26Å; F107-A313 HydrophobicContact CB-CB 4.12Å; F107-A313 HydrophobicContact CD1-CB 3.94Å; F107-A313 HydrophobicContact CG-CB 3.97Å
108E49.5Very low60.5Low61 Ų6166.7 Ų66.729%0.28535%0.354SS..  trans-76.1132.5-175.9-52.4-53.3143.600110.9K103 L112 G113K103-E108 VanDerWaalsContact O-CG 3.26Å; K103-E108 WeakPolarHBondContact O-CG 3.41Å; E108-L112 HydrophobicContact CB-CB 4.2Å; E108-L112 HydrophobicContact CB-CD2 4Å; E108-L112 HydrophobicContact CB-CG 3.85Å; E108-L112 HydrophobicContact CG-CD2 3.77Å; E108-L112 HydrophobicContact CG-CG 3.9Å; E108-L112 WeakPolarHBondContact OE2-CD2 3.39Å; E108-G113 VanDerWaalsContact O-CA 3.29Å; E108-G113 WeakPolarHBondContact O-CA 3.39Å
109L50.9Low61Low136 Ų13664.7 Ų64.771%0.71234%0.342SS*.  trans-106.2152.6177.9-73.7167.5000110.8W137L109-W137 HydrophobicContact CD2-CH2 3.81Å; L109-W137 HydrophobicContact CD2-CZ2 4.21Å
110G60.7Low61.4Low44 Ų4465.8 Ų65.845%0.45434%0.34SS..THydrogen-bonded Turntrans72.4-145.4177.400000113.1L112 G113 E114G110-L112 PolarHBondContact O-N 3.14Å; G110-G113 WeakPolarHBondContact O-CA 3.19Å; G110-G113 PolarHBondContact O-N 3.2Å; G110-E114 PolarHBondContact O-N 2.96Å; G110-E114 VanDerWaalsContact O-N 3.08Å
111P55.3Low61.6Low86 Ų8673.2 Ų73.256%0.55837%0.373SS*.Hα-helixtrans-59.8-32.1-172.3-2432.9000114L115P111-L115 WeakPolarHBondContact O-CB 3.31Å; P111-L115 PolarHBondContact O-N 3.35Å
112L63Low61.8Low56 Ų5676.6 Ų76.629%0.29338%0.378SS..Hα-helixtrans-69.7-38.7176.4-175.263.2000111.1V99 K103 E108 G110 L115 C116V99-L112 HydrophobicContact CG1-CD1 4.46Å; K103-L112 HydrophobicContact CB-CD1 4.28Å; K103-L112 HydrophobicContact CB-CD2 4.35Å; E108-L112 HydrophobicContact CB-CB 4.2Å; E108-L112 HydrophobicContact CB-CD2 4Å; E108-L112 HydrophobicContact CB-CG 3.85Å; E108-L112 HydrophobicContact CG-CD2 3.77Å; E108-L112 HydrophobicContact CG-CG 3.9Å; E108-L112 WeakPolarHBondContact OE2-CD2 3.39Å; G110-L112 PolarHBondContact O-N 3.14Å; L112-L115 HydrophobicContact CD1-CD2 4.47Å; L112-L115 PolarHBondContact O-N 3.38Å; L112-C116 WeakPolarHBondContact O-CB 3.26Å; L112-C116 PolarHBondContact O-N 2.04Å; L112-C116 PolarHBondContact O-SG 3Å
113G60Low62.1Low7 Ų771.3 Ų71.37%0.07235%0.354CS..Hα-helixtrans-61.5-47.1173.600000112E108 G110 L115 C116 D117E108-G113 VanDerWaalsContact O-CA 3.29Å; E108-G113 WeakPolarHBondContact O-CA 3.39Å; G110-G113 WeakPolarHBondContact O-CA 3.19Å; G110-G113 PolarHBondContact O-N 3.2Å; G113-L115 PolarHBondContact O-N 3.15Å; G113-C116 WeakPolarHBondContact O-CB 3.11Å; G113-C116 PolarHBondContact O-N 3.17Å; G113-D117 PolarHBondContact O-N 3.18Å
114E65.6Low62.1Low142 Ų14271 Ų7166%0.66436%0.363SS*.Hα-helixtrans-59.3-47.6175.8-71.1179.1-175.100111.7G110 C116 D117 L118G110-E114 PolarHBondContact O-N 2.96Å; G110-E114 VanDerWaalsContact O-N 3.08Å; E114-C116 VanDerWaalsContact C-N 3.32Å; E114-C116 PolarHBondContact O-N 3.29Å; E114-D117 PolarHBondContact O-N 3.17Å; E114-L118 WeakPolarHBondContact O-CB 3.42Å; E114-L118 PolarHBondContact O-N 3.41Å
115L64Low61.5Low46 Ų4673.7 Ų73.724%0.24138%0.38CS..Hα-helixtrans-57.4-44.9175.5-173.385.2000111.6F96 V99 P111 L112 G113 L118 Y119F96-L115 HydrophobicContact CD1-CD1 3.91Å; F96-L115 HydrophobicContact CD1-CD2 3.99Å; F96-L115 HydrophobicContact CD1-CG 4.4Å; F96-L115 HydrophobicContact CE1-CD1 3.82Å; F96-L115 HydrophobicContact CE1-CD2 4.39Å; F96-L115 HydrophobicContact CG-CD1 4.4Å; F96-L115 HydrophobicContact CZ-CD1 4.25Å; V99-L115 HydrophobicContact CG1-CD2 4.17Å; P111-L115 WeakPolarHBondContact O-CB 3.31Å; P111-L115 PolarHBondContact O-N 3.35Å; L112-L115 HydrophobicContact CD1-CD2 4.47Å; L112-L115 PolarHBondContact O-N 3.38Å; G113-L115 PolarHBondContact O-N 3.15Å; L115-L118 PolarHBondContact O-N 3.41Å; L115-Y119 WeakPolarHBondContact O-CB 3.29Å; L115-Y119 PolarHBondContact O-N 3.45Å
116C68.9Low60.8Low2 Ų268.6 Ų68.61%0.01436%0.363CS..Hα-helixtrans-63.8-41.9179.4-72.70000112.7C104 L112 G113 E114 Y119 R120C104-C116 WeakPolarHBondContact CA-SG 3Å; C104-C116 HydrophobicContact CB-CB 3.58Å; C104-C116 WeakPolarHBondContact CB-SG 3.23Å; C104-C116 WeakPolarHBondContact SG-CA 3.48Å; C104-C116 WeakPolarHBondContact SG-CB 3.48Å; C104-C116 CovalentContact SG-SG 2.02Å; C104-C116 PolarHBondContact SG-SG 3.01Å; L112-C116 WeakPolarHBondContact O-CB 3.26Å; L112-C116 PolarHBondContact O-N 2.04Å; L112-C116 PolarHBondContact O-SG 3Å; G113-C116 WeakPolarHBondContact O-CB 3.11Å; G113-C116 PolarHBondContact O-N 3.17Å; E114-C116 VanDerWaalsContact C-N 3.32Å; E114-C116 PolarHBondContact O-N 3.29Å; C116-Y119 PolarHBondContact O-N 2.95Å; C116-R120 WeakPolarHBondContact O-CB 3.43Å; C116-R120 VanDerWaalsContact O-CG 3.24Å; C116-R120 WeakPolarHBondContact O-CG 3.46Å; C116-R120 PolarHBondContact O-N 2.81Å
117D66.9Low60.4Low61 Ų6173.5 Ų73.533%0.32640%0.403SS..Hα-helixtrans-68.4-38.5176.7-73.3-22.4000111.1G113 E114 R120 Q121G113-D117 PolarHBondContact O-N 3.18Å; E114-D117 PolarHBondContact O-N 3.17Å; D117-R120 PolarHBondContact O-N 3.07Å; D117-R120 IonicContact OD1-NH1 3.37Å; D117-R120 PolarHBondContact OD1-NH1 3.23Å; D117-Q121 WeakPolarHBondContact O-CB 2.97Å; D117-Q121 WeakPolarHBondContact O-CG 3.33Å; D117-Q121 PolarHBondContact O-N 2.93Å
118L65.4Low59.8Low46 Ų4673 Ų7324%0.24142%0.424CS..Hα-helixtrans-63.1-43.3174.6-132.5156.1000111.6F92 E114 L115 Q121 R122F92-L118 HydrophobicContact CE1-CD2 4.37Å; F92-L118 HydrophobicContact CZ-CB 4.46Å; F92-L118 HydrophobicContact CZ-CD2 3.95Å; E114-L118 WeakPolarHBondContact O-CB 3.42Å; E114-L118 PolarHBondContact O-N 3.41Å; L115-L118 PolarHBondContact O-N 3.41Å; L118-Q121 PolarHBondContact O-N 3.43Å; L118-R122 HydrophobicContact CD2-CG 4.29Å; L118-R122 VanDerWaalsContact CD2-CZ 3.48Å; L118-R122 WeakPolarHBondContact O-CB 2.95Å; L118-R122 PolarHBondContact O-N 3.39Å; L118-R122 VanDerWaalsContact O-N 3.13Å
119Y65.9Low59.4Low22 Ų2275.5 Ų75.59%0.08644%0.437CS..Hα-helixtrans-62.1-47.2175-168.3-89.4000111.7F92 C93 F96 R97 A100 L115 C116 Q121 R122 C123F92-Y119 HydrophobicContact CE1-CD2 4.22Å; C93-Y119 HydrophobicContact CB-CE2 4.49Å; C93-Y119 VanDerWaalsContact O-CE2 3.29Å; C93-Y119 WeakPolarHBondContact O-CE2 3.35Å; C93-Y119 PolarHBondContact O-OH 2.63Å; C93-Y119 VanDerWaalsContact O-OH 3.09Å; F96-Y119 HydrophobicContact CB-CD2 3.79Å; F96-Y119 HydrophobicContact CB-CE2 3.98Å; R97-Y119 WeakPolarHBondContact CA-OH 3.18Å; A100-Y119 HydrophobicContact CB-CD1 3.39Å; A100-Y119 HydrophobicContact CB-CD2 3.83Å; A100-Y119 HydrophobicContact CB-CE1 3.54Å; A100-Y119 HydrophobicContact CB-CE2 3.96Å; A100-Y119 HydrophobicContact CB-CG 3.55Å; L115-Y119 WeakPolarHBondContact O-CB 3.29Å; L115-Y119 PolarHBondContact O-N 3.45Å; C116-Y119 PolarHBondContact O-N 2.95Å; Y119-Q121 VanDerWaalsContact C-N 3.31Å; Y119-Q121 PolarHBondContact O-N 3.11Å; Y119-R122 PolarHBondContact O-N 2.86Å; Y119-C123 HydrophobicContact CD1-CB 4.08Å; Y119-C123 HydrophobicContact CD2-CB 4.32Å; Y119-C123 HydrophobicContact CE1-CB 3.81Å; Y119-C123 HydrophobicContact CE2-CB 4.08Å; Y119-C123 VanDerWaalsContact CE2-SG 3.57Å; Y119-C123 HydrophobicContact CG-CB 4.32Å; Y119-C123 VanDerWaalsContact O-CB 3.25Å; Y119-C123 WeakPolarHBondContact O-CB 3.3Å; Y119-C123 PolarHBondContact O-N 3.33Å
120R68.7Low58.8Low82 Ų8276 Ų7631%0.30944%0.436SS..Hα-helixtrans-63.8-34.1178.6-73.4171.1-170.8162.82.4113.4C104 G106 C116 D117C104-R120 PolarHBondContact O-NH2 3.34Å; G106-R120 VanDerWaalsContact N-NH2 3.15Å; C116-R120 WeakPolarHBondContact O-CB 3.43Å; C116-R120 VanDerWaalsContact O-CG 3.24Å; C116-R120 WeakPolarHBondContact O-CG 3.46Å; C116-R120 PolarHBondContact O-N 2.81Å; D117-R120 PolarHBondContact O-N 3.07Å; D117-R120 IonicContact OD1-NH1 3.37Å; D117-R120 PolarHBondContact OD1-NH1 3.23Å
121Q66Low57.8Low164 Ų16478 Ų7877%0.76644%0.443SS*.Hα-helixtrans-74.7-32.6179.2-74.8174.735.900112.5D117 L118 Y119D117-Q121 WeakPolarHBondContact O-CB 2.97Å; D117-Q121 WeakPolarHBondContact O-CG 3.33Å; D117-Q121 PolarHBondContact O-N 2.93Å; L118-Q121 PolarHBondContact O-N 3.43Å; Y119-Q121 VanDerWaalsContact C-N 3.31Å; Y119-Q121 PolarHBondContact O-N 3.11Å
122R66.3Low56.9Low143 Ų14385.1 Ų85.154%0.5446%0.459SS..Hα-helixtrans-103.1-29.1-171.9-68.6-171.5176.1172.9-3.2114.9L118 Y119L118-R122 HydrophobicContact CD2-CG 4.29Å; L118-R122 VanDerWaalsContact CD2-CZ 3.48Å; L118-R122 WeakPolarHBondContact O-CB 2.95Å; L118-R122 PolarHBondContact O-N 3.39Å; L118-R122 VanDerWaalsContact O-N 3.13Å; Y119-R122 PolarHBondContact O-N 2.86Å
123C66.4Low55.7Low12 Ų1289.9 Ų89.98%0.08148%0.48CS..SBendtrans-105.6140.2-170.3-56.90000111.6C93 Y119C93-C123 WeakPolarHBondContact CA-SG 3.22Å; C93-C123 HydrophobicContact CB-CB 3.84Å; C93-C123 WeakPolarHBondContact CB-SG 3.42Å; C93-C123 WeakPolarHBondContact SG-CA 3.47Å; C93-C123 WeakPolarHBondContact SG-CB 3.49Å; C93-C123 CovalentContact SG-SG 2.04Å; C93-C123 PolarHBondContact SG-SG 2.83Å; Y119-C123 HydrophobicContact CD1-CB 4.08Å; Y119-C123 HydrophobicContact CD2-CB 4.32Å; Y119-C123 HydrophobicContact CE1-CB 3.81Å; Y119-C123 HydrophobicContact CE2-CB 4.08Å; Y119-C123 VanDerWaalsContact CE2-SG 3.57Å; Y119-C123 HydrophobicContact CG-CB 4.32Å; Y119-C123 VanDerWaalsContact O-CB 3.25Å; Y119-C123 WeakPolarHBondContact O-CB 3.3Å; Y119-C123 PolarHBondContact O-N 3.33Å
124P61Low54.7Low101 Ų10194.6 Ų94.666%0.65650%0.503SS*.PPolyproline II helixtrans-62.2141.7173.625.2-31.4000110
125P53.7Low53.4Low73 Ų7393.8 Ų93.847%0.47450%0.497SS..PPolyproline II helixtrans-58137.4175.623.3-31.4000109.4A127P125-A127 PolarHBondContact O-N 2.94Å
126P50.6Low51.9Low51 Ų5198.6 Ų98.633%0.33152%0.518SS..PPolyproline II helixtrans-56.8137.2177.620.1-28.7000109.8T101 G128 M129T101-P126 HydrophobicContact CG2-CG 4.21Å; P126-G128 PolarHBondContact O-N 2.7Å; P126-M129 HydrophobicContact CG-CB 4.19Å; P126-M129 HydrophobicContact CG-SD 4.32Å; P126-M129 PolarHBondContact O-N 3.24Å
127A45.3Very low50Low114 Ų114104.8 Ų104.894%0.94254%0.542SS*.THydrogen-bonded Turntrans-53.4109.4179.100000109.6P125P125-A127 PolarHBondContact O-N 2.94Å
128G42.2Very low48.6Very low84 Ų84105 Ų10587%0.86655%0.546SS*.THydrogen-bonded Turntrans124.9-18.7-175.500000114.5P126 Q130P126-G128 PolarHBondContact O-N 2.7Å; G128-Q130 PolarHBondContact O-N 2.9Å
129M40.9Very low47.5Very low113 Ų113110.5 Ų110.556%0.55757%0.568SS**  trans-94.899.4178.5-147.1163.4-163.200110P126 S131P126-M129 HydrophobicContact CG-CB 4.19Å; P126-M129 HydrophobicContact CG-SD 4.32Å; P126-M129 PolarHBondContact O-N 3.24Å; M129-S131 PolarHBondContact O-N 3.38Å
130Q38.7Very low46.2Very low147 Ų147115.9 Ų115.969%0.68760%0.596SS**  trans-60.3124177.2-65.5-173.55.900109.7G128 R132 Q133G128-Q130 PolarHBondContact O-N 2.9Å; Q130-R132 PolarHBondContact O-N 2.76Å; Q130-Q133 PolarHBondContact O-N 3.49Å
131S39.1Very low45.1Very low87 Ų87112.3 Ų112.361%0.60858%0.584SS**G310 helixtrans-54.1-10.7177.4-57.80000114.7M129M129-S131 PolarHBondContact O-N 3.38Å
132R37.5Very low44.3Very low235 Ų235106.4 Ų106.489%0.88756%0.56SS**G310 helixtrans-76.7-12174.1-81.3-172.6177.2-170.1-0.2115.2Q130Q130-R132 PolarHBondContact O-N 2.76Å
133Q37.5Very low43.6Very low155 Ų155104.9 Ų104.972%0.72456%0.563SS**G310 helixtrans-93.74.5175.3-80.3-174.9-23.600114.1Q130 K135Q130-Q133 PolarHBondContact O-N 3.49Å; Q133-K135 VanDerWaalsContact C-N 3.27Å; Q133-K135 PolarHBondContact O-N 3.39Å
134L38.9Very low43.6Very low107 Ų107106.5 Ų106.556%0.5658%0.575SS**  trans-6790166.9-96.779.6000108.9Q136L134-Q136 PolarHBondContact O-N 3.44Å
135K38Very low44.2Very low125 Ų125106.1 Ų106.154%0.54357%0.57SS.*  trans-62.690.4160.7-95.7-175.4176-174.60106.8F107 Q133 W137 G310F107-K135 HydrophobicContact CZ-CD 4.26Å; Q133-K135 VanDerWaalsContact C-N 3.27Å; Q133-K135 PolarHBondContact O-N 3.39Å; K135-W137 PolarHBondContact O-N 2.97Å; K135-G310 PolarHBondContact NZ-O 2.89Å
136Q32.1Very low45.2Very low147 Ų147105.7 Ų105.769%0.68757%0.566SS**  trans-49.5135.2161-166.9169.140.700107L134 P138L134-Q136 PolarHBondContact O-N 3.44Å; Q136-P138 VanDerWaalsContact O-N 3.1Å
137W30.1Very low46.5Very low132 Ų132103.3 Ų103.350%0.555%0.55SS.*  trans-40124.6163-81.690.7000107.8L109 K135 K139L109-W137 HydrophobicContact CD2-CH2 3.81Å; L109-W137 HydrophobicContact CD2-CZ2 4.21Å; K135-W137 PolarHBondContact O-N 2.97Å; W137-K139 VanDerWaalsContact C-N 3.33Å; W137-K139 PolarHBondContact O-N 2.93Å
138P36.4Very low48.2Very low66 Ų66102.2 Ų102.243%0.42953%0.526SS..  trans-63.9105.9175.125.6-31000106Q136 M140 A141Q136-P138 VanDerWaalsContact O-N 3.1Å; P138-M140 CarbonylContact O-C 3.55Å; P138-M140 PolarHBondContact O-N 3.18Å; P138-A141 HydrophobicContact CB-CB 3.63Å; P138-A141 HydrophobicContact CG-CB 3.74Å
139K41.7Very low50.1Low160 Ų160104 Ų10470%0.69651%0.512SS*.THydrogen-bonded Turntrans-63.171.3174.8-78.8-176.1169.6-176.70108.7W137W137-K139 VanDerWaalsContact C-N 3.33Å; W137-K139 PolarHBondContact O-N 2.93Å
140M39.8Very low52.2Low136 Ų13699.4 Ų99.467%0.6749%0.489SS*.THydrogen-bonded Turntrans74.898.5-154.9-42.7168.9-82.100110.8P138 S142 N143P138-M140 CarbonylContact O-C 3.55Å; P138-M140 PolarHBondContact O-N 3.18Å; M140-S142 WeakPolarHBondContact CB-OG 3.41Å; M140-S142 PolarHBondContact O-N 3Å; M140-N143 PolarHBondContact O-N 3.08Å
141A44.9Very low54.4Low7 Ų793.1 Ų93.16%0.05846%0.461CS..G310 helixtrans-64-3.6164.400000111.9P138 N143 S144 V147 Y180 V311P138-A141 HydrophobicContact CB-CB 3.63Å; P138-A141 HydrophobicContact CG-CB 3.74Å; A141-N143 PolarHBondContact O-N 2.69Å; A141-S144 PolarHBondContact O-N 3.01Å; A141-V147 HydrophobicContact CB-CG2 4.04Å; A141-V147 WeakPolarHBondContact O-CB 3.49Å; A141-V147 WeakPolarHBondContact O-CG1 3.03Å; A141-V147 WeakPolarHBondContact O-CG2 3.37Å; A141-Y180 HydrophobicContact CB-CD1 3.52Å; A141-Y180 HydrophobicContact CB-CE1 3.81Å; A141-V311 HydrophobicContact CB-CG1 3.97Å
142S48.9Very low56.7Low39 Ų3995.5 Ų95.527%0.27346%0.463SS..G310 helixtrans-51.9-19.7171.871.80000113.6M140 Q148M140-S142 WeakPolarHBondContact CB-OG 3.41Å; M140-S142 PolarHBondContact O-N 3Å; S142-Q148 WeakPolarHBondContact O-CG 3.47Å; S142-Q148 PolarHBondContact O-NE2 3.06Å
143N52.7Low59.1Low111 Ų11190.7 Ų90.759%0.59445%0.448SS*.G310 helixtrans-96.3-5.9-177.3-60.2-10000113.6M140 A141 V145M140-N143 PolarHBondContact O-N 3.08Å; A141-N143 PolarHBondContact O-N 2.69Å; N143-V145 PolarHBondContact O-N 2.93Å
144S65.5Low61.4Low47 Ų4784.4 Ų84.433%0.32942%0.418SS..SBendtrans-73.9124.7170.6175.40000108.7A141 V146 V147 Q148A141-S144 PolarHBondContact O-N 3.01Å; S144-V146 PolarHBondContact O-N 3.45Å; S144-V146 VanDerWaalsContact O-N 3.1Å; S144-V146 PolarHBondContact OG-N 3.18Å; S144-V147 PolarHBondContact O-N 3.37Å; S144-Q148 PolarHBondContact O-N 3.48Å
145V73.2Confident63.7Low92 Ų9285.8 Ų85.856%0.55842%0.416SS*.Hα-helixtrans-50.7-36.9174.7178.10000110.8N143 Q148 Q149N143-V145 PolarHBondContact O-N 2.93Å; V145-Q148 PolarHBondContact O-N 3.43Å; V145-Q149 HydrophobicContact CG1-CG 4.44Å; V145-Q149 WeakPolarHBondContact O-CB 3.17Å; V145-Q149 VanDerWaalsContact O-CG 3.27Å; V145-Q149 WeakPolarHBondContact O-CG 3.34Å; V145-Q149 PolarHBondContact O-N 3.11Å
146V75.9Confident65.9Low65 Ų6587.6 Ų87.639%0.39442%0.424SS..Hα-helixtrans-63.9-44.7177.2-178.10000111.5S144 Q149 L150 A309S144-V146 PolarHBondContact O-N 3.45Å; S144-V146 VanDerWaalsContact O-N 3.1Å; S144-V146 PolarHBondContact OG-N 3.18Å; V146-Q149 PolarHBondContact O-N 2.92Å; V146-L150 HydrophobicContact CG1-CD1 4.11Å; V146-L150 WeakPolarHBondContact O-CB 3.26Å; V146-L150 VanDerWaalsContact O-CG 3.28Å; V146-L150 WeakPolarHBondContact O-CG 3.29Å; V146-L150 PolarHBondContact O-N 2.65Å; V146-A309 HydrophobicContact CG1-CB 3.97Å
147V77.2Confident68.3Low0 Ų082.5 Ų82.50%040%0.403CS..Hα-helixtrans-66.2-44179.2175.10000109.9A141 S144 Q149 L150 C151 L306 V311A141-V147 HydrophobicContact CB-CG2 4.04Å; A141-V147 WeakPolarHBondContact O-CB 3.49Å; A141-V147 WeakPolarHBondContact O-CG1 3.03Å; A141-V147 WeakPolarHBondContact O-CG2 3.37Å; S144-V147 PolarHBondContact O-N 3.37Å; V147-Q149 PolarHBondContact O-N 3.08Å; V147-L150 PolarHBondContact O-N 2.85Å; V147-C151 WeakPolarHBondContact O-CB 3.26Å; V147-C151 PolarHBondContact O-N 3.29Å; V147-C151 PolarHBondContact O-SG 3.26Å; V147-L306 HydrophobicContact CG2-CD2 4.07Å; V147-V311 HydrophobicContact CG2-CG1 3.9Å; V147-V311 HydrophobicContact CG2-CG2 3.84Å
148Q80.7Confident70.9Confident92 Ų9276.4 Ų76.443%0.4338%0.38SS..Hα-helixtrans-58.9-47.6177.2-67.4-178.3-13.600112S142 S144 V145 L150 C151 E152S142-Q148 WeakPolarHBondContact O-CG 3.47Å; S142-Q148 PolarHBondContact O-NE2 3.06Å; S144-Q148 PolarHBondContact O-N 3.48Å; V145-Q148 PolarHBondContact O-N 3.43Å; Q148-L150 VanDerWaalsContact C-N 3.32Å; Q148-L150 PolarHBondContact O-N 3.16Å; Q148-C151 PolarHBondContact O-N 3.13Å; Q148-E152 WeakPolarHBondContact O-CG 3.1Å; Q148-E152 PolarHBondContact O-N 2.8Å
149Q83.4Confident73.1Confident120 Ų12080.8 Ų80.856%0.56139%0.393SS*.Hα-helixtrans-60.1-41176.5-74.3175.5-9.200112.3V145 V146 V147 K153V145-Q149 HydrophobicContact CG1-CG 4.44Å; V145-Q149 WeakPolarHBondContact O-CB 3.17Å; V145-Q149 VanDerWaalsContact O-CG 3.27Å; V145-Q149 WeakPolarHBondContact O-CG 3.34Å; V145-Q149 PolarHBondContact O-N 3.11Å; V146-Q149 PolarHBondContact O-N 2.92Å; V147-Q149 PolarHBondContact O-N 3.08Å; Q149-K153 VanDerWaalsContact O-CB 3.25Å; Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 PolarHBondContact O-N 3.48Å
150L84.1Confident74.8Confident17 Ų1777.1 Ų77.19%0.08939%0.392CS..Hα-helixtrans-68-42.3175.6-70.9173000111.8V146 V147 Q148 E152 K153 Y154 F302 E305 L306V146-L150 HydrophobicContact CG1-CD1 4.11Å; V146-L150 WeakPolarHBondContact O-CB 3.26Å; V146-L150 VanDerWaalsContact O-CG 3.28Å; V146-L150 WeakPolarHBondContact O-CG 3.29Å; V146-L150 PolarHBondContact O-N 2.65Å; V147-L150 PolarHBondContact O-N 2.85Å; Q148-L150 VanDerWaalsContact C-N 3.32Å; Q148-L150 PolarHBondContact O-N 3.16Å; L150-E152 VanDerWaalsContact C-N 3.33Å; L150-E152 PolarHBondContact O-N 3.21Å; L150-K153 PolarHBondContact O-N 2.68Å; L150-Y154 HydrophobicContact CD2-CD2 4.47Å; L150-Y154 HydrophobicContact CD2-CE2 4.02Å; L150-Y154 WeakPolarHBondContact O-CD2 3.45Å; L150-Y154 PolarHBondContact O-N 3.38Å; L150-F302 HydrophobicContact CB-CD2 4.14Å; L150-F302 HydrophobicContact CB-CE2 3.97Å; L150-E305 HydrophobicContact CD1-CB 3.98Å; L150-E305 HydrophobicContact CD2-CB 3.69Å; L150-E305 HydrophobicContact CD2-CG 4.16Å; L150-L306 HydrophobicContact CD1-CD2 3.71Å; L150-L306 HydrophobicContact CD1-CG 4.17Å
151C86.1Confident76.6Confident15 Ų1571.1 Ų71.110%0.10136%0.363CS..Hα-helixtrans-60.3-43.4177.1-66.30000111.3V147 Q148 R155 C181V147-C151 WeakPolarHBondContact O-CB 3.26Å; V147-C151 PolarHBondContact O-N 3.29Å; V147-C151 PolarHBondContact O-SG 3.26Å; Q148-C151 PolarHBondContact O-N 3.13Å; C151-R155 WeakPolarHBondContact O-CA 3.34Å; C151-R155 WeakPolarHBondContact O-CB 3.45Å; C151-R155 PolarHBondContact O-N 3.15Å; C151-C181 VanDerWaalsContact CA-SG 3.56Å; C151-C181 HydrophobicContact CB-CB 3.66Å; C151-C181 WeakPolarHBondContact CB-SG 3.47Å; C151-C181 WeakPolarHBondContact SG-CA 3.49Å; C151-C181 WeakPolarHBondContact SG-CB 3.17Å; C151-C181 CovalentContact SG-SG 2.02Å; C151-C181 PolarHBondContact SG-SG 2.95Å
152E87.1Confident78.2Confident137 Ų13771.8 Ų71.864%0.6437%0.368SS*.Hα-helixtrans-65.8-47.1175.7-74175.2-178.200111.9Q148 L150 Y154 R155Q148-E152 WeakPolarHBondContact O-CG 3.1Å; Q148-E152 PolarHBondContact O-N 2.8Å; L150-E152 VanDerWaalsContact C-N 3.33Å; L150-E152 PolarHBondContact O-N 3.21Å; E152-Y154 VanDerWaalsContact C-N 3.33Å; E152-Y154 PolarHBondContact O-N 3.08Å; E152-R155 WeakPolarHBondContact O-CB 3.4Å; E152-R155 PolarHBondContact O-N 2.75Å
153K86.2Confident79.2Confident134 Ų13474.5 Ų74.558%0.58338%0.384SS*.Hα-helixtrans-57.1-43.1179.4179.6178175.9-178.70112.6Q149 L150Q149-K153 VanDerWaalsContact O-CB 3.25Å; Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 PolarHBondContact O-N 3.48Å; L150-K153 PolarHBondContact O-N 2.68Å
154Y87.6Confident79.8Confident23 Ų2369.6 Ų69.69%0.0936%0.36CS..Hα-helixtrans-100.33.7-175.4-66.9-81.6000114.1L150 E152 F156 V157 F158 G298 A301 F302L150-Y154 HydrophobicContact CD2-CD2 4.47Å; L150-Y154 HydrophobicContact CD2-CE2 4.02Å; L150-Y154 WeakPolarHBondContact O-CD2 3.45Å; L150-Y154 PolarHBondContact O-N 3.38Å; E152-Y154 VanDerWaalsContact C-N 3.33Å; E152-Y154 PolarHBondContact O-N 3.08Å; Y154-F156 VanDerWaalsContact C-N 3.29Å; Y154-F156 PolarHBondContact O-N 2.94Å; Y154-F156 VanDerWaalsContact O-N 3.16Å; Y154-V157 PolarHBondContact O-N 2.65Å; Y154-V157 VanDerWaalsContact O-N 3.08Å; Y154-F158 WeakPolarHBondContact O-CD2 2.98Å; Y154-F158 PolarHBondContact O-N 3.11Å; Y154-G298 WeakPolarHBondContact CD1-O 3.38Å; Y154-G298 VanDerWaalsContact CE1-O 3.23Å; Y154-G298 WeakPolarHBondContact CE1-O 3.45Å; Y154-A301 HydrophobicContact CE1-CB 4.13Å; Y154-A301 WeakPolarHBondContact OH-CB 3.49Å; Y154-F302 HydrophobicContact CD1-CB 4.1Å; Y154-F302 HydrophobicContact CD2-CB 3.78Å; Y154-F302 AromaticContact CD2-CD2 3.65Å; Y154-F302 HydrophobicContact CD2-CD2 3.65Å; Y154-F302 HydrophobicContact CD2-CG 4.2Å; Y154-F302 HydrophobicContact CE1-CB 4.38Å; Y154-F302 HydrophobicContact CE2-CB 4.06Å; Y154-F302 HydrophobicContact CE2-CD2 4.37Å; Y154-F302 HydrophobicContact CG-CB 3.78Å; Y154-F302 HydrophobicContact CG-CD2 4.08Å; Y154-F302 HydrophobicContact CG-CG 4.34Å
155R86.4Confident79.8Confident136 Ų13677.7 Ų77.751%0.51339%0.385SS..Hα-helixtrans-49-46.6-176.5-179.6178.7168.987.7-3.2113.4C151 E152 K159C151-R155 WeakPolarHBondContact O-CA 3.34Å; C151-R155 WeakPolarHBondContact O-CB 3.45Å; C151-R155 PolarHBondContact O-N 3.15Å; E152-R155 WeakPolarHBondContact O-CB 3.4Å; E152-R155 PolarHBondContact O-N 2.75Å; R155-K159 VanDerWaalsContact O-CB 3.28Å; R155-K159 WeakPolarHBondContact O-CB 3.49Å; R155-K159 PolarHBondContact O-N 3.04Å
156F84Confident79.5Confident163 Ų16373.6 Ų73.672%0.71536%0.36SS*.Hα-helixtrans-67.5-38.1-176.2-64.5-75.8000112.5Y154 K159 A160Y154-F156 VanDerWaalsContact C-N 3.29Å; Y154-F156 PolarHBondContact O-N 2.94Å; Y154-F156 VanDerWaalsContact O-N 3.16Å; F156-K159 PolarHBondContact O-N 3.02Å; F156-A160 WeakPolarHBondContact O-CB 3.32Å; F156-A160 PolarHBondContact O-N 3.22Å; F156-A160 VanDerWaalsContact O-N 3.08Å
157V83Confident79Confident41 Ų4172 Ų7225%0.24835%0.35CS..Hα-helixtrans-63.9-48.2179.3-179.50000110.4Y154 A160 S161 G295 M299Y154-V157 PolarHBondContact O-N 2.65Å; Y154-V157 VanDerWaalsContact O-N 3.08Å; V157-A160 PolarHBondContact O-N 3.01Å; V157-S161 VanDerWaalsContact O-CB 3.27Å; V157-S161 WeakPolarHBondContact O-CB 3.25Å; V157-S161 PolarHBondContact O-N 3.41Å; V157-S161 PolarHBondContact O-OG 3.14Å; V157-G295 WeakPolarHBondContact CG1-O 3.03Å; V157-M299 HydrophobicContact CG1-CG 3.91Å
158F84.1Confident78.4Confident3 Ų373.8 Ų73.81%0.01336%0.358CS..Hα-helixtrans-70-37.9179.7-79-84.9000112.5Y154 A160 S161 C162 Y173 Y177 M299 F302Y154-F158 WeakPolarHBondContact O-CD2 2.98Å; Y154-F158 PolarHBondContact O-N 3.11Å; F158-A160 VanDerWaalsContact C-N 3.29Å; F158-A160 PolarHBondContact O-N 2.86Å; F158-S161 PolarHBondContact O-N 2.62Å; F158-C162 VanDerWaalsContact CD1-SG 3.53Å; F158-C162 VanDerWaalsContact O-CB 3.23Å; F158-C162 WeakPolarHBondContact O-CB 3.18Å; F158-C162 PolarHBondContact O-N 3.45Å; F158-Y173 WeakPolarHBondContact CE1-O 3.26Å; F158-Y177 HydrophobicContact CB-CD1 3.65Å; F158-Y177 HydrophobicContact CB-CD2 3.93Å; F158-Y177 HydrophobicContact CB-CE1 3.76Å; F158-Y177 HydrophobicContact CB-CE2 4.03Å; F158-Y177 HydrophobicContact CB-CG 3.75Å; F158-Y177 AromaticContact CD1-CD1 4Å; F158-Y177 HydrophobicContact CD1-CD1 4Å; F158-Y177 AromaticContact CD1-CD2 3.98Å; F158-Y177 HydrophobicContact CD1-CD2 3.98Å; F158-Y177 AromaticContact CD1-CG 3.48Å; F158-Y177 HydrophobicContact CD1-CG 3.48Å; F158-Y177 VanDerWaalsContact CD1-CG 3.48Å; F158-Y177 AromaticContact CD2-CD2 3.38Å; F158-Y177 HydrophobicContact CD2-CD2 3.38Å; F158-Y177 AromaticContact CD2-CE2 3.84Å; F158-Y177 HydrophobicContact CD2-CE2 3.84Å; F158-Y177 AromaticContact CD2-CG 3.8Å; F158-Y177 HydrophobicContact CD2-CG 3.8Å; F158-Y177 HydrophobicContact CE1-CD2 4.4Å; F158-Y177 HydrophobicContact CE1-CG 4.03Å; F158-Y177 AromaticContact CE2-CD2 3.84Å; F158-Y177 HydrophobicContact CE2-CD2 3.84Å; F158-Y177 HydrophobicContact CE2-CG 4.29Å; F158-Y177 AromaticContact CG-CD1 3.81Å; F158-Y177 HydrophobicContact CG-CD1 3.81Å; F158-Y177 AromaticContact CG-CD2 3.47Å; F158-Y177 HydrophobicContact CG-CD2 3.47Å; F158-Y177 VanDerWaalsContact CG-CD2 3.47Å; F158-Y177 HydrophobicContact CG-CE1 4.31Å; F158-Y177 AromaticContact CG-CE2 4Å; F158-Y177 HydrophobicContact CG-CE2 4Å; F158-Y177 AromaticContact CG-CG 3.37Å; F158-Y177 HydrophobicContact CG-CG 3.37Å; F158-Y177 HydrophobicContact CZ-CD2 4.33Å; F158-Y177 HydrophobicContact CZ-CG 4.41Å; F158-M299 HydrophobicContact CD1-CE 3.74Å; F158-M299 HydrophobicContact CD1-CG 4.49Å; F158-M299 HydrophobicContact CE1-CB 4.35Å; F158-M299 HydrophobicContact CE1-CE 3.69Å; F158-M299 HydrophobicContact CE1-CG 3.95Å; F158-M299 HydrophobicContact CE2-CG 4.25Å; F158-M299 HydrophobicContact CZ-CB 3.93Å; F158-M299 HydrophobicContact CZ-CE 4.48Å; F158-M299 HydrophobicContact CZ-CG 3.81Å; F158-F302 HydrophobicContact CE1-CD1 4.5Å; F158-F302 HydrophobicContact CE2-CB 3.72Å; F158-F302 AromaticContact CE2-CD1 3.56Å; F158-F302 HydrophobicContact CE2-CD1 3.56Å; F158-F302 HydrophobicContact CE2-CD2 4.32Å; F158-F302 HydrophobicContact CE2-CE1 4.21Å; F158-F302 AromaticContact CE2-CG 3.6Å; F158-F302 HydrophobicContact CE2-CG 3.6Å; F158-F302 HydrophobicContact CZ-CB 4.1Å; F158-F302 AromaticContact CZ-CD1 3.43Å; F158-F302 HydrophobicContact CZ-CD1 3.43Å; F158-F302 VanDerWaalsContact CZ-CD1 3.43Å; F158-F302 HydrophobicContact CZ-CE1 4.05Å; F158-F302 AromaticContact CZ-CG 3.94Å; F158-F302 HydrophobicContact CZ-CG 3.94Å
159K82.4Confident77.8Confident159 Ų15975.5 Ų75.569%0.69136%0.364SS*.Hα-helixtrans-62.6-36.5176.3-170.8176.2-179.7-176.40112.3R155 F156R155-K159 VanDerWaalsContact O-CB 3.28Å; R155-K159 WeakPolarHBondContact O-CB 3.49Å; R155-K159 PolarHBondContact O-N 3.04Å; F156-K159 PolarHBondContact O-N 3.02Å
160A78.5Confident77.4Confident82 Ų8270.2 Ų70.268%0.67834%0.34SS*.Hα-helixtrans-77.7-37.217700000112.9F156 V157 F158F156-A160 WeakPolarHBondContact O-CB 3.32Å; F156-A160 PolarHBondContact O-N 3.22Å; F156-A160 VanDerWaalsContact O-N 3.08Å; V157-A160 PolarHBondContact O-N 3.01Å; F158-A160 VanDerWaalsContact C-N 3.29Å; F158-A160 PolarHBondContact O-N 2.86Å
161S76.1Confident77.1Confident10 Ų1070.1 Ų70.17%0.0734%0.338CS..Hα-helixtrans-96.2-16.4-168.9-500000114.7V157 F158 P163 I170V157-S161 VanDerWaalsContact O-CB 3.27Å; V157-S161 WeakPolarHBondContact O-CB 3.25Å; V157-S161 PolarHBondContact O-N 3.41Å; V157-S161 PolarHBondContact O-OG 3.14Å; F158-S161 PolarHBondContact O-N 2.62Å; S161-P163 WeakPolarHBondContact O-CD 3.46Å; S161-I170 WeakPolarHBondContact O-CD1 3.42Å
162C78.8Confident76.7Confident22 Ų2270.5 Ų70.515%0.14934%0.341CS..  trans-116.558.4-174.4-57.30000114.3F158 G164 C174 R178 M299F158-C162 VanDerWaalsContact CD1-SG 3.53Å; F158-C162 VanDerWaalsContact O-CB 3.23Å; F158-C162 WeakPolarHBondContact O-CB 3.18Å; F158-C162 PolarHBondContact O-N 3.45Å; C162-G164 PolarHBondContact O-N 3.21Å; C162-C174 VanDerWaalsContact CA-SG 3.58Å; C162-C174 HydrophobicContact CB-CB 3.74Å; C162-C174 WeakPolarHBondContact CB-SG 3.41Å; C162-C174 WeakPolarHBondContact SG-CA 3.37Å; C162-C174 WeakPolarHBondContact SG-CB 3.11Å; C162-C174 CovalentContact SG-SG 2.03Å; C162-C174 PolarHBondContact SG-SG 3.26Å; C162-R178 PolarHBondContact O-NH2 2.64Å; C162-M299 WeakPolarHBondContact SG-CE 3.28Å
163P70.9Confident76.5Confident95 Ų9564.5 Ų64.562%0.61731%0.312SS*.SBendtrans-67.4-18-17929.2-35.4000113.6S161S161-P163 WeakPolarHBondContact O-CD 3.46Å
164G65.5Low76.5Confident9 Ų958.1 Ų58.19%0.09328%0.284CS..SBendtrans120.2-21.2-177.800000115.1C162 E166C162-G164 PolarHBondContact O-N 3.21Å; G164-E166 VanDerWaalsContact C-OE2 3.3Å; G164-E166 WeakPolarHBondContact CA-OE2 3.4Å; G164-E166 PolarHBondContact N-OE2 3.39Å
165Y65.4Low76.2Confident216 Ų21658 Ų5885%0.84729%0.285SS*.SBendtrans-110.731.7176.6-56.2-78.6000110.7
166E66.1Low76.1Confident6 Ų652.6 Ų52.63%0.02827%0.267CS..  trans-65.5152.9-177.556.6-90.9177.600113.7G164 I170 R171 C174 R178G164-E166 VanDerWaalsContact C-OE2 3.3Å; G164-E166 WeakPolarHBondContact CA-OE2 3.4Å; G164-E166 PolarHBondContact N-OE2 3.39Å; E166-I170 HydrophobicContact CB-CD1 3.71Å; E166-I170 HydrophobicContact CB-CG1 3.59Å; E166-I170 HydrophobicContact CG-CG1 4.16Å; E166-R171 HydrophobicContact CG-CB 3.76Å; E166-R171 HydrophobicContact CG-CG 3.87Å; E166-R171 PolarHBondContact O-NE 3.44Å; E166-R171 PolarHBondContact O-NH2 3.04Å; E166-C174 HydrophobicContact CG-CB 4.29Å; E166-R178 IonicContact OE1-CZ 3.07Å; E166-R178 VanDerWaalsContact OE1-CZ 3.25Å; E166-R178 IonicContact OE1-NH1 2.94Å; E166-R178 PolarHBondContact OE1-NH1 3.49Å; E166-R178 IonicContact OE1-NH2 3.25Å; E166-R178 PolarHBondContact OE1-NH2 3.19Å; E166-R178 IonicContact OE2-NH2 3.7Å; E166-R178 PolarHBondContact OE2-NH2 3.36Å; E166-R178 VanDerWaalsContact OE2-NH2 3.07Å
167V65Low76.2Confident31 Ų3145.9 Ų45.919%0.18824%0.238CC..  trans-60.5147.7174.1-60.30000110.9K169 I170 R171 Q255V167-K169 HydrophobicContact CG2-CB 4.42Å; V167-K169 PolarHBondContact O-N 3.02Å; V167-K169 VanDerWaalsContact O-N 3.11Å; V167-I170 HydrophobicContact CG2-CB 4.23Å; V167-I170 HydrophobicContact CG2-CD1 3.99Å; V167-I170 HydrophobicContact CG2-CG1 3.7Å; V167-I170 HydrophobicContact CG2-CG2 3.84Å; V167-I170 WeakPolarHBondContact O-CG1 3.4Å; V167-I170 PolarHBondContact O-N 3.42Å; V167-R171 PolarHBondContact O-N 2.8Å; V167-Q255 HydrophobicContact CB-CB 4.39Å; V167-Q255 HydrophobicContact CG1-CB 4.07Å; V167-Q255 HydrophobicContact CG1-CG 4.31Å
168Q65.1Low76.2Confident39 Ų3944.4 Ų44.418%0.18223%0.227CC..THydrogen-bonded Turntrans-51.8-37.6-180-85.7-171.6-3900111.9I170 R171 P172 I189 W230Q168-I170 VanDerWaalsContact C-N 3.31Å; Q168-I170 PolarHBondContact O-N 2.9Å; Q168-R171 PolarHBondContact O-N 3.28Å; Q168-P172 WeakPolarHBondContact O-CD 3.49Å; Q168-I189 HydrophobicContact CG-CG2 3.85Å; Q168-W230 HydrophobicContact CG-CB 4.5Å
169K68.4Low76.1Confident128 Ų12847.5 Ų47.556%0.55725%0.246SC*.THydrogen-bonded Turntrans-63.3-32.7-179.9-61.2-171178.2176.10114.2V167 Y173 V318V167-K169 HydrophobicContact CG2-CB 4.42Å; V167-K169 PolarHBondContact O-N 3.02Å; V167-K169 VanDerWaalsContact O-N 3.11Å; K169-Y173 WeakPolarHBondContact O-CE2 3.32Å; K169-V318 HydrophobicContact CB-CG1 3.69Å; K169-V318 HydrophobicContact CD-CG1 4.26Å; K169-V318 HydrophobicContact CG-CG1 3.59Å; K169-V318 VanDerWaalsContact O-CG2 3.27Å; K169-V318 WeakPolarHBondContact O-CG2 3.35Å
170I74.8Confident76.1Confident9 Ų942.2 Ų42.25%0.04622%0.222CC..THydrogen-bonded Turntrans-98.7-16.1-178.975.3-179.3000112.5S161 E166 V167 Q168 Y173 C174 L292 Y296 M299S161-I170 WeakPolarHBondContact O-CD1 3.42Å; E166-I170 HydrophobicContact CB-CD1 3.71Å; E166-I170 HydrophobicContact CB-CG1 3.59Å; E166-I170 HydrophobicContact CG-CG1 4.16Å; V167-I170 HydrophobicContact CG2-CB 4.23Å; V167-I170 HydrophobicContact CG2-CD1 3.99Å; V167-I170 HydrophobicContact CG2-CG1 3.7Å; V167-I170 HydrophobicContact CG2-CG2 3.84Å; V167-I170 WeakPolarHBondContact O-CG1 3.4Å; V167-I170 PolarHBondContact O-N 3.42Å; Q168-I170 VanDerWaalsContact C-N 3.31Å; Q168-I170 PolarHBondContact O-N 2.9Å; I170-Y173 WeakPolarHBondContact O-CB 3.45Å; I170-Y173 PolarHBondContact O-N 3.3Å; I170-Y173 VanDerWaalsContact O-N 3.17Å; I170-C174 PolarHBondContact O-N 2.99Å; I170-L292 HydrophobicContact CD1-CD1 4.02Å; I170-L292 HydrophobicContact CD1-CD2 3.78Å; I170-Y296 HydrophobicContact CG2-CD2 3.82Å; I170-Y296 HydrophobicContact CG2-CE2 4.26Å; I170-M299 HydrophobicContact CB-SD 4.42Å
171R77.1Confident76.4Confident15 Ų1539.8 Ų39.86%0.05720%0.2CC..Hα-helixtrans-60.5-40.6-176.3-166.7167.4-40.6168.40114.6E166 V167 Q168 Y173 C174 N175 M188 I189 D229E166-R171 HydrophobicContact CG-CB 3.76Å; E166-R171 HydrophobicContact CG-CG 3.87Å; E166-R171 PolarHBondContact O-NE 3.44Å; E166-R171 PolarHBondContact O-NH2 3.04Å; V167-R171 PolarHBondContact O-N 2.8Å; Q168-R171 PolarHBondContact O-N 3.28Å; R171-Y173 VanDerWaalsContact C-N 3.27Å; R171-Y173 PolarHBondContact O-N 3Å; R171-C174 PolarHBondContact O-N 3.43Å; R171-N175 WeakPolarHBondContact O-CB 3.11Å; R171-N175 PolarHBondContact O-N 3.44Å; R171-M188 PolarHBondContact NH1-O 3.18Å; R171-M188 VanDerWaalsContact NH1-O 3.14Å; R171-I189 HydrophobicContact CB-CD1 3.93Å; R171-I189 HydrophobicContact CB-CG1 3.97Å; R171-I189 HydrophobicContact CG-CD1 4.17Å; R171-I189 HydrophobicContact CG-CG1 3.8Å; R171-D229 IonicContact CZ-OD2 3.38Å; R171-D229 VanDerWaalsContact NH1-CG 3.27Å; R171-D229 IonicContact NH1-OD2 3.08Å; R171-D229 PolarHBondContact NH1-OD2 3.17Å
172P78.4Confident76.7Confident23 Ų2342.2 Ų42.215%0.14922%0.217CC..Hα-helixtrans-56.6-41.2174.4-26.934.5000112.5Q168 N175 T176 I189 P316Q168-P172 WeakPolarHBondContact O-CD 3.49Å; P172-N175 PolarHBondContact O-N 3.43Å; P172-T176 PolarHBondContact O-N 3.33Å; P172-T176 PolarHBondContact O-OG1 2.89Å; P172-I189 HydrophobicContact CG-CD1 3.8Å; P172-P316 HydrophobicContact CB-CB 3.57Å
173Y83.9Confident76.6Confident11 Ų1144.6 Ų44.64%0.04325%0.245CC..Hα-helixtrans-67.1-47.3175.3-56.6-82.2000111.6F158 K169 I170 R171 N175 T176 Y177 Y296 M299 V300 C303 M315 P316 V318F158-Y173 WeakPolarHBondContact CE1-O 3.26Å; K169-Y173 WeakPolarHBondContact O-CE2 3.32Å; I170-Y173 WeakPolarHBondContact O-CB 3.45Å; I170-Y173 PolarHBondContact O-N 3.3Å; I170-Y173 VanDerWaalsContact O-N 3.17Å; R171-Y173 VanDerWaalsContact C-N 3.27Å; R171-Y173 PolarHBondContact O-N 3Å; Y173-N175 VanDerWaalsContact C-N 3.26Å; Y173-N175 PolarHBondContact O-N 3.36Å; Y173-T176 WeakPolarHBondContact O-CB 3.28Å; Y173-T176 PolarHBondContact O-N 3Å; Y173-T176 VanDerWaalsContact O-N 3.12Å; Y173-Y177 PolarHBondContact O-N 2.81Å; Y173-Y177 VanDerWaalsContact O-N 3.11Å; Y173-Y296 HydrophobicContact CD2-CE2 4.06Å; Y173-Y296 AromaticContact CE2-CE2 3.56Å; Y173-Y296 HydrophobicContact CE2-CE2 3.56Å; Y173-Y296 AromaticContact CE2-CZ 3.93Å; Y173-Y296 PolarHBondContact OH-OH 3.41Å; Y173-M299 HydrophobicContact CG-CB 4.4Å; Y173-V300 HydrophobicContact CE1-CG2 4.03Å; Y173-C303 HydrophobicContact CD1-CB 4.06Å; Y173-C303 HydrophobicContact CE1-CB 4.32Å; Y173-M315 HydrophobicContact CE1-CE 4.43Å; Y173-P316 HydrophobicContact CD1-CB 4.2Å; Y173-P316 HydrophobicContact CD1-CG 3.86Å; Y173-P316 HydrophobicContact CE1-CB 4.06Å; Y173-P316 HydrophobicContact CE1-CG 3.94Å; Y173-P316 PolarHBondContact OH-O 3.16Å; Y173-V318 HydrophobicContact CE2-CG2 3.58Å
174C84.1Confident77.1Confident0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-56.2-41.5175.2-720000112.3C162 E166 I170 R171 T176 Y177 R178 M299C162-C174 VanDerWaalsContact CA-SG 3.58Å; C162-C174 HydrophobicContact CB-CB 3.74Å; C162-C174 WeakPolarHBondContact CB-SG 3.41Å; C162-C174 WeakPolarHBondContact SG-CA 3.37Å; C162-C174 WeakPolarHBondContact SG-CB 3.11Å; C162-C174 CovalentContact SG-SG 2.03Å; C162-C174 PolarHBondContact SG-SG 3.26Å; E166-C174 HydrophobicContact CG-CB 4.29Å; I170-C174 PolarHBondContact O-N 2.99Å; R171-C174 PolarHBondContact O-N 3.43Å; C174-T176 VanDerWaalsContact C-N 3.35Å; C174-Y177 PolarHBondContact O-N 3.34Å; C174-R178 WeakPolarHBondContact O-CG 3.47Å; C174-R178 PolarHBondContact O-N 2.98Å; C174-M299 WeakPolarHBondContact SG-CE 3.41Å
175N83.4Confident77.5Confident20 Ų2053.4 Ų53.411%0.10727%0.272CS..Hα-helixtrans-66.6-36.9178.1-77.3-18.7000112.3R171 P172 Y173 R178 V179 P186 K187R171-N175 WeakPolarHBondContact O-CB 3.11Å; R171-N175 PolarHBondContact O-N 3.44Å; P172-N175 PolarHBondContact O-N 3.43Å; Y173-N175 VanDerWaalsContact C-N 3.26Å; Y173-N175 PolarHBondContact O-N 3.36Å; N175-R178 PolarHBondContact O-N 3.35Å; N175-R178 PolarHBondContact OD1-NH1 3.35Å; N175-V179 VanDerWaalsContact O-CG2 3.31Å; N175-V179 WeakPolarHBondContact O-CG2 3.38Å; N175-V179 PolarHBondContact O-N 2.01Å; N175-P186 HydrophobicContact CB-CB 3.9Å; N175-K187 PolarHBondContact ND2-O 2.82Å; N175-K187 PolarHBondContact OD1-N 3.49Å; N175-K187 PolarHBondContact OD1-O 3.07Å
176T82.9Confident78Confident22 Ų2246.7 Ų46.714%0.13526%0.255CS..Hα-helixtrans-60.2-48.4173.9-57.20000110.1P172 Y173 C174 R178 V179 Y180 F302 L306 I312P172-T176 PolarHBondContact O-N 3.33Å; P172-T176 PolarHBondContact O-OG1 2.89Å; Y173-T176 WeakPolarHBondContact O-CB 3.28Å; Y173-T176 PolarHBondContact O-N 3Å; Y173-T176 VanDerWaalsContact O-N 3.12Å; C174-T176 VanDerWaalsContact C-N 3.35Å; T176-R178 PolarHBondContact O-N 3.45Å; T176-V179 PolarHBondContact O-N 3.18Å; T176-Y180 HydrophobicContact CG2-CD2 3.66Å; T176-Y180 HydrophobicContact CG2-CE2 3.93Å; T176-Y180 WeakPolarHBondContact O-CD2 3.35Å; T176-Y180 PolarHBondContact O-N 3.01Å; T176-F302 HydrophobicContact CG2-CE1 4.24Å; T176-L306 HydrophobicContact CG2-CD1 3.93Å; T176-I312 HydrophobicContact CG2-CG2 4.36Å
177Y85.5Confident78.4Confident23 Ų2350.6 Ų50.69%0.0927%0.272CS..Hα-helixtrans-63.4-40.8176.1-176.1-90.4000112.9F158 Y173 C174 V179 Y180 C181 C182 F302F158-Y177 HydrophobicContact CB-CD1 3.65Å; F158-Y177 HydrophobicContact CB-CD2 3.93Å; F158-Y177 HydrophobicContact CB-CE1 3.76Å; F158-Y177 HydrophobicContact CB-CE2 4.03Å; F158-Y177 HydrophobicContact CB-CG 3.75Å; F158-Y177 AromaticContact CD1-CD1 4Å; F158-Y177 HydrophobicContact CD1-CD1 4Å; F158-Y177 AromaticContact CD1-CD2 3.98Å; F158-Y177 HydrophobicContact CD1-CD2 3.98Å; F158-Y177 AromaticContact CD1-CG 3.48Å; F158-Y177 HydrophobicContact CD1-CG 3.48Å; F158-Y177 VanDerWaalsContact CD1-CG 3.48Å; F158-Y177 AromaticContact CD2-CD2 3.38Å; F158-Y177 HydrophobicContact CD2-CD2 3.38Å; F158-Y177 AromaticContact CD2-CE2 3.84Å; F158-Y177 HydrophobicContact CD2-CE2 3.84Å; F158-Y177 AromaticContact CD2-CG 3.8Å; F158-Y177 HydrophobicContact CD2-CG 3.8Å; F158-Y177 HydrophobicContact CE1-CD2 4.4Å; F158-Y177 HydrophobicContact CE1-CG 4.03Å; F158-Y177 AromaticContact CE2-CD2 3.84Å; F158-Y177 HydrophobicContact CE2-CD2 3.84Å; F158-Y177 HydrophobicContact CE2-CG 4.29Å; F158-Y177 AromaticContact CG-CD1 3.81Å; F158-Y177 HydrophobicContact CG-CD1 3.81Å; F158-Y177 AromaticContact CG-CD2 3.47Å; F158-Y177 HydrophobicContact CG-CD2 3.47Å; F158-Y177 VanDerWaalsContact CG-CD2 3.47Å; F158-Y177 HydrophobicContact CG-CE1 4.31Å; F158-Y177 AromaticContact CG-CE2 4Å; F158-Y177 HydrophobicContact CG-CE2 4Å; F158-Y177 AromaticContact CG-CG 3.37Å; F158-Y177 HydrophobicContact CG-CG 3.37Å; F158-Y177 HydrophobicContact CZ-CD2 4.33Å; F158-Y177 HydrophobicContact CZ-CG 4.41Å; Y173-Y177 PolarHBondContact O-N 2.81Å; Y173-Y177 VanDerWaalsContact O-N 3.11Å; C174-Y177 PolarHBondContact O-N 3.34Å; Y177-V179 VanDerWaalsContact C-N 3.35Å; Y177-V179 PolarHBondContact O-N 3.5Å; Y177-Y180 PolarHBondContact O-N 3.21Å; Y177-C181 HydrophobicContact CD1-CB 4.19Å; Y177-C181 HydrophobicContact CD2-CB 3.83Å; Y177-C181 WeakPolarHBondContact CD2-SG 3.36Å; Y177-C181 HydrophobicContact CE1-CB 3.99Å; Y177-C181 HydrophobicContact CE2-CB 3.62Å; Y177-C181 WeakPolarHBondContact CE2-SG 3.35Å; Y177-C181 HydrophobicContact CG-CB 4.1Å; Y177-C181 WeakPolarHBondContact O-CA 2.99Å; Y177-C181 WeakPolarHBondContact O-CB 3.38Å; Y177-C181 PolarHBondContact O-N 3.38Å; Y177-C182 VanDerWaalsContact CE1-SG 3.53Å; Y177-C182 PolarHBondContact O-N 3.07Å; Y177-F302 HydrophobicContact CD2-CE1 4.12Å; Y177-F302 HydrophobicContact CD2-CE2 4.24Å; Y177-F302 AromaticContact CD2-CZ 3.84Å; Y177-F302 HydrophobicContact CD2-CZ 3.84Å
178R84.4Confident78.5Confident10 Ų1055.3 Ų55.34%0.03829%0.294CS..Iπ-helixtrans-58.2-45.9176.6-78.3-180-174.7133.17.1112.5C162 E166 C174 N175 T176 C182 G183 E184 K187C162-R178 PolarHBondContact O-NH2 2.64Å; E166-R178 IonicContact OE1-CZ 3.07Å; E166-R178 VanDerWaalsContact OE1-CZ 3.25Å; E166-R178 IonicContact OE1-NH1 2.94Å; E166-R178 PolarHBondContact OE1-NH1 3.49Å; E166-R178 IonicContact OE1-NH2 3.25Å; E166-R178 PolarHBondContact OE1-NH2 3.19Å; E166-R178 IonicContact OE2-NH2 3.7Å; E166-R178 PolarHBondContact OE2-NH2 3.36Å; E166-R178 VanDerWaalsContact OE2-NH2 3.07Å; C174-R178 WeakPolarHBondContact O-CG 3.47Å; C174-R178 PolarHBondContact O-N 2.98Å; N175-R178 PolarHBondContact O-N 3.35Å; N175-R178 PolarHBondContact OD1-NH1 3.35Å; T176-R178 PolarHBondContact O-N 3.45Å; R178-C182 CarbonylContact O-C 3.46Å; R178-C182 WeakPolarHBondContact O-CA 3.31Å; R178-C182 WeakPolarHBondContact O-CB 3.37Å; R178-C182 PolarHBondContact O-N 3.42Å; R178-G183 PolarHBondContact O-N 3.28Å; R178-E184 CarbonylContact C-O 3.53Å; R178-E184 HydrophobicContact CB-CB 4.09Å; R178-E184 HydrophobicContact CG-CB 4.43Å; R178-E184 PolarHBondContact O-N 2.84Å; R178-K187 VanDerWaalsContact NH1-CD 3.32Å; R178-K187 VanDerWaalsContact NH1-CG 3.28Å
179V82.5Confident78.6Confident67 Ų6756.2 Ų56.241%0.40630%0.299SS..Iπ-helixtrans-69-47.7-178.7172.60000111.3N175 T176 Y177 P186N175-V179 VanDerWaalsContact O-CG2 3.31Å; N175-V179 WeakPolarHBondContact O-CG2 3.38Å; N175-V179 PolarHBondContact O-N 2.01Å; T176-V179 PolarHBondContact O-N 3.18Å; Y177-V179 VanDerWaalsContact C-N 3.35Å; Y177-V179 PolarHBondContact O-N 3.5Å; V179-P186 HydrophobicContact CG2-CB 4.14Å; V179-P186 HydrophobicContact CG2-CG 4.22Å
180Y82Confident78.5Confident48 Ų4854 Ų5419%0.18829%0.293CS..Iπ-helixtrans-86.9-30-171.6-70.5-68.8000114.5A141 T176 Y177 L306 V311 I312A141-Y180 HydrophobicContact CB-CD1 3.52Å; A141-Y180 HydrophobicContact CB-CE1 3.81Å; T176-Y180 HydrophobicContact CG2-CD2 3.66Å; T176-Y180 HydrophobicContact CG2-CE2 3.93Å; T176-Y180 WeakPolarHBondContact O-CD2 3.35Å; T176-Y180 PolarHBondContact O-N 3.01Å; Y177-Y180 PolarHBondContact O-N 3.21Å; Y180-L306 HydrophobicContact CD2-CD1 4.4Å; Y180-V311 HydrophobicContact CD1-CG1 4.2Å; Y180-V311 HydrophobicContact CE1-CG1 3.95Å; Y180-I312 HydrophobicContact CD2-CG2 4.27Å; Y180-I312 HydrophobicContact CE2-CG2 3.46Å; Y180-I312 VanDerWaalsContact CE2-CG2 3.46Å
181C84.7Confident78.3Confident32 Ų3258.5 Ų58.522%0.21632%0.317CS..Iπ-helixtrans-109.1-37.8-174.8-58.70000113.9C151 Y177C151-C181 VanDerWaalsContact CA-SG 3.56Å; C151-C181 HydrophobicContact CB-CB 3.66Å; C151-C181 WeakPolarHBondContact CB-SG 3.47Å; C151-C181 WeakPolarHBondContact SG-CA 3.49Å; C151-C181 WeakPolarHBondContact SG-CB 3.17Å; C151-C181 CovalentContact SG-SG 2.02Å; C151-C181 PolarHBondContact SG-SG 2.95Å; Y177-C181 HydrophobicContact CD1-CB 4.19Å; Y177-C181 HydrophobicContact CD2-CB 3.83Å; Y177-C181 WeakPolarHBondContact CD2-SG 3.36Å; Y177-C181 HydrophobicContact CE1-CB 3.99Å; Y177-C181 HydrophobicContact CE2-CB 3.62Å; Y177-C181 WeakPolarHBondContact CE2-SG 3.35Å; Y177-C181 HydrophobicContact CG-CB 4.1Å; Y177-C181 WeakPolarHBondContact O-CA 2.99Å; Y177-C181 WeakPolarHBondContact O-CB 3.38Å; Y177-C181 PolarHBondContact O-N 3.38Å
182C82.3Confident78.1Confident61 Ų6158.6 Ų58.641%0.41232%0.323SS..Iπ-helixtrans-94.7-16.6-177.6-58.10000113.5Y177 R178 E184Y177-C182 VanDerWaalsContact CE1-SG 3.53Å; Y177-C182 PolarHBondContact O-N 3.07Å; R178-C182 CarbonylContact O-C 3.46Å; R178-C182 WeakPolarHBondContact O-CA 3.31Å; R178-C182 WeakPolarHBondContact O-CB 3.37Å; R178-C182 PolarHBondContact O-N 3.42Å; C182-E184 HydrophobicContact CB-CB 4.15Å; C182-E184 HydrophobicContact CB-CG 3.81Å; C182-E184 PolarHBondContact O-N 2.84Å
183G76.9Confident78.3Confident72 Ų7262.1 Ų62.174%0.74234%0.34SS*.  trans64.820.8-169.500000112.8R178R178-G183 PolarHBondContact O-N 3.28Å
184E80.1Confident78.4Confident104 Ų10465.3 Ų65.349%0.48636%0.361SS..PPolyproline II helixtrans-91.5147.7179-73.1177.8-167.100110.5R178 C182R178-E184 CarbonylContact C-O 3.53Å; R178-E184 HydrophobicContact CB-CB 4.09Å; R178-E184 HydrophobicContact CG-CB 4.43Å; R178-E184 PolarHBondContact O-N 2.84Å; C182-E184 HydrophobicContact CB-CB 4.15Å; C182-E184 HydrophobicContact CB-CG 3.81Å; C182-E184 PolarHBondContact O-N 2.84Å
185K74.8Confident78.5Confident185 Ų18567.2 Ų67.280%0.80438%0.376SS*.PPolyproline II helixtrans-63.5142.1170.862.9179.1179.4177.30110.6K187K185-K187 PolarHBondContact O-N 2.93Å
186P75.5Confident78.9Confident74 Ų7469.6 Ų69.648%0.48139%0.392SS..PPolyproline II helixtrans-62.4140.7177.127.5-33.2000109.6N175 V179 M188N175-P186 HydrophobicContact CB-CB 3.9Å; V179-P186 HydrophobicContact CG2-CB 4.14Å; V179-P186 HydrophobicContact CG2-CG 4.22Å; P186-M188 PolarHBondContact O-N 3.05Å
187K74.2Confident79.1Confident88 Ų8871.8 Ų71.838%0.38341%0.408SS..PPolyproline II helixtrans-79.4116.7170.9-65.6-169.9-174.4179.70107.4N175 R178 K185 I189N175-K187 PolarHBondContact ND2-O 2.82Å; N175-K187 PolarHBondContact OD1-N 3.49Å; N175-K187 PolarHBondContact OD1-O 3.07Å; R178-K187 VanDerWaalsContact NH1-CD 3.32Å; R178-K187 VanDerWaalsContact NH1-CG 3.28Å; K185-K187 PolarHBondContact O-N 2.93Å; K187-I189 PolarHBondContact O-N 2.97Å
188M68.1Low79.2Confident131 Ų13178.4 Ų78.465%0.64543%0.433SS*.PPolyproline II helixtrans-53.3139.9179.1-175.9166.65300110R171 P186 L190R171-M188 PolarHBondContact NH1-O 3.18Å; R171-M188 VanDerWaalsContact NH1-O 3.14Å; P186-M188 PolarHBondContact O-N 3.05Å; M188-L190 HydrophobicContact CE-CD1 4.39Å; M188-L190 HydrophobicContact CE-CD2 3.33Å; M188-L190 HydrophobicContact CE-CG 3.83Å; M188-L190 HydrophobicContact CG-CD2 4.32Å; M188-L190 HydrophobicContact CG-CG 4.44Å; M188-L190 HydrophobicContact SD-CD2 3.9Å
189I67.1Low79.5Confident58 Ų5884.4 Ų84.430%0.29747%0.465SS..  trans-90.5105.5161.6-61.8163.2000104.2Q168 R171 P172 K187 D191 D229Q168-I189 HydrophobicContact CG-CG2 3.85Å; R171-I189 HydrophobicContact CB-CD1 3.93Å; R171-I189 HydrophobicContact CB-CG1 3.97Å; R171-I189 HydrophobicContact CG-CD1 4.17Å; R171-I189 HydrophobicContact CG-CG1 3.8Å; P172-I189 HydrophobicContact CG-CD1 3.8Å; K187-I189 PolarHBondContact O-N 2.97Å; I189-D191 HydrophobicContact CG2-CB 4.35Å; I189-D191 PolarHBondContact O-N 2.9Å; I189-D229 WeakPolarHBondContact CA-OD2 3.48Å
190L66.1Low79.8Confident82 Ų8285.9 Ų85.943%0.42947%0.474SS..  trans-72.8110.5163.9-69.5170.1000106.3M188 G228 D229M188-L190 HydrophobicContact CE-CD1 4.39Å; M188-L190 HydrophobicContact CE-CD2 3.33Å; M188-L190 HydrophobicContact CE-CG 3.83Å; M188-L190 HydrophobicContact CG-CD2 4.32Å; M188-L190 HydrophobicContact CG-CG 4.44Å; M188-L190 HydrophobicContact SD-CD2 3.9Å; L190-G228 CarbonylContact O-C 3.56Å; L190-G228 WeakPolarHBondContact O-CA 3.4Å; L190-D229 PolarHBondContact N-OD2 3.36Å; L190-D229 PolarHBondContact O-N 3.33Å
191D69.6Low80Confident103 Ų10389.9 Ų89.955%0.55149%0.489SS*.EExtended strand (participates in β ladder)trans-135.3122.1163.2-163.915.8000107.2I189 W230I189-D191 HydrophobicContact CG2-CB 4.35Å; I189-D191 PolarHBondContact O-N 2.9Å; D191-W230 PolarHBondContact OD1-NE1 3.34Å
192G74.1Confident80Confident17 Ų1790.6 Ų90.618%0.17550%0.502CS..EExtended strand (participates in β ladder)trans-149.7147.7-174.700000109.4G226 F227G192-G226 WeakPolarHBondContact O-CA 3.42Å; G192-F227 PolarHBondContact N-O 2.91Å; G192-F227 PolarHBondContact O-N 2.76Å
193N81.9Confident79.9Confident96 Ų9691.9 Ų91.951%0.51351%0.508SS..EExtended strand (participates in β ladder)trans-140.9138.2174.883.2-82.3000109.8N224 I225N193-N224 WeakPolarHBondContact CB-OD1 3.12Å; N193-N224 PolarHBondContact ND2-ND2 3.44Å; N193-N224 PolarHBondContact ND2-OD1 3.43Å; N193-I225 CarbonylContact C-O 3.58Å; N193-I225 VanDerWaalsContact CA-O 3.29Å; N193-I225 WeakPolarHBondContact CA-O 3.39Å
194V86.9Confident80Confident79 Ų7990.8 Ų90.848%0.47950%0.496SS..EExtended strand (participates in β ladder)trans-113116172.9172.10000107.2V196 N224 I225 F227V194-V196 HydrophobicContact CG1-CG2 4.32Å; V194-N224 CarbonylContact O-C 3.55Å; V194-N224 WeakPolarHBondContact O-CA 3.38Å; V194-N224 PolarHBondContact O-OD1 3.26Å; V194-I225 PolarHBondContact N-O 3.25Å; V194-I225 PolarHBondContact O-N 2.85Å; V194-F227 HydrophobicContact CG2-CE1 4.06Å
195A86.5Confident79.7Confident39 Ų3989.6 Ų89.632%0.32251%0.513SS..EExtended strand (participates in β ladder)trans-110.4121.4177.100000110.8R222 N223 N224A195-R222 HydrophobicContact CB-CG 4.34Å; A195-N223 CarbonylContact C-O 3.46Å; A195-N223 VanDerWaalsContact CA-O 3.28Å; A195-N223 WeakPolarHBondContact CA-O 3.14Å; A195-N224 HydrophobicContact CB-CB 4.48Å
196V89.9Confident79.3Confident71 Ų7182.6 Ų82.643%0.4348%0.483SS..EExtended strand (participates in β ladder)trans-111.1114.8174.5-177.40000108.7V194 R198 N223V194-V196 HydrophobicContact CG1-CG2 4.32Å; V196-R198 HydrophobicContact CG1-CG 4.29Å; V196-N223 PolarHBondContact N-O 2.84Å; V196-N223 PolarHBondContact O-N 2.03Å
197S88.8Confident78.7Confident68 Ų6884.4 Ų84.448%0.47650%0.495SS..EExtended strand (participates in β ladder)trans-86.9137.4172.7-57.70000110.2T221S197-T221 CarbonylContact C-O 3.56Å; S197-T221 WeakPolarHBondContact CA-O 3.42Å
198R87.7Confident78.1Confident162 Ų16288.4 Ų88.461%0.61151%0.513SS*.EExtended strand (participates in β ladder)trans-137.4151.1177.9-69.8-169.2178.4-142.81.2110.1V196 V200 T221V196-R198 HydrophobicContact CG1-CG 4.29Å; R198-V200 PolarHBondContact O-N 3.16Å; R198-T221 PolarHBondContact N-O 3.5Å; R198-T221 PolarHBondContact O-N 3.41Å
199N89.6Confident77.7Confident136 Ų13688.5 Ų88.573%0.72751%0.507SS*.EExtended strand (participates in β ladder)trans5138.7-179.9-55.5-13.9000111.8G220N199-G220 WeakPolarHBondContact O-CA 3.16Å
200V88.3Confident77.5Confident97 Ų9792 Ų9259%0.58853%0.534SS*.EExtended strand (participates in β ladder)trans-76.9130.5175.7-174.80000107.6R198 G219R198-V200 PolarHBondContact O-N 3.16Å; V200-G219 CarbonylContact C-O 3.55Å; V200-G219 WeakPolarHBondContact CA-O 2.88Å
201W87.6Confident77.4Confident132 Ų13293 Ų9350%0.554%0.535SS..EExtended strand (participates in β ladder)trans-139.3155.2173.659.4-91.7000108I217 A218 G219 V240W201-I217 HydrophobicContact CH2-CG2 4.24Å; W201-I217 HydrophobicContact CZ3-CG2 4.25Å; W201-A218 CarbonylContact O-C 3.55Å; W201-A218 WeakPolarHBondContact O-CA 3.35Å; W201-A218 WeakPolarHBondContact O-CB 3.34Å; W201-G219 VanDerWaalsContact CE2-CA 3.49Å; W201-G219 PolarHBondContact N-O 3.28Å; W201-G219 PolarHBondContact O-N 3.01Å; W201-G219 VanDerWaalsContact O-O 3.05Å; W201-V240 HydrophobicContact CH2-CG1 3.95Å; W201-V240 HydrophobicContact CH2-CG2 4.47Å; W201-V240 HydrophobicContact CZ2-CG1 4.23Å; W201-V240 HydrophobicContact CZ2-CG2 3.96Å
202G84.8Confident77.1Confident48 Ų4888.6 Ų88.650%0.49551%0.511SS..EExtended strand (participates in β ladder)trans-160.2149.3174.300000111.8I217G202-I217 CarbonylContact C-O 3.5Å; G202-I217 VanDerWaalsContact CA-O 3.25Å; G202-I217 WeakPolarHBondContact CA-O 3.29Å
203V80.1Confident76.7Confident87 Ų8792.7 Ų92.753%0.52754%0.537SS..EExtended strand (participates in β ladder)trans-121.4113.7172.8-177.60000106.8I206 I217V203-I206 HydrophobicContact CG1-CD1 4.4Å; V203-I206 HydrophobicContact CG1-CG1 4.4Å; V203-I217 PolarHBondContact N-O 3Å; V203-I217 PolarHBondContact O-N 3.08Å
204G79.2Confident76Confident49 Ų4994.6 Ų94.651%0.50554%0.543SS..EExtended strand (participates in β ladder)trans-97.1172.6173.900000112
205G72.7Confident75.1Confident80 Ų8091.5 Ų91.583%0.82553%0.527SS*.  trans79.218.7176.700000114.1G215G205-G215 PolarHBondContact N-O 3.39Å; G205-G215 VanDerWaalsContact N-O 3.15Å
206I66.6Low74.6Confident37 Ų3792.5 Ų92.519%0.1953%0.526CS..  trans-75.6126.7177.7-60.4171.1000107.6V203 F208 Y209 G215 I217V203-I206 HydrophobicContact CG1-CD1 4.4Å; V203-I206 HydrophobicContact CG1-CG1 4.4Å; I206-F208 PolarHBondContact O-N 2.78Å; I206-Y209 HydrophobicContact CG2-CD2 3.84Å; I206-Y209 HydrophobicContact CG2-CE2 3.46Å; I206-Y209 VanDerWaalsContact CG2-CE2 3.46Å; I206-G215 PolarHBondContact N-O 3.2Å; I206-I217 HydrophobicContact CD1-CB 3.99Å; I206-I217 HydrophobicContact CD1-CD1 3.58Å; I206-I217 HydrophobicContact CD1-CG1 3.59Å
207P63.7Low74Confident112 Ų11290.9 Ų90.973%0.72752%0.515SS*.  trans-50.1129.3177.8-24.832.2000110.3Y209P207-Y209 PolarHBondContact O-N 2.88Å
208F60.8Low73.8Confident173 Ų17388.7 Ų88.776%0.75950%0.501SS*.  trans-39.8113.2-173.7-74.8-84.7000112.3I206I206-F208 PolarHBondContact O-N 2.78Å
209Y59.6Low73.7Confident132 Ų13281.1 Ų81.152%0.51847%0.473SS..BIsolated β-bridgetrans-80.6147.6163.7-78.5-80000108.7I206 P207 F211 N212I206-Y209 HydrophobicContact CG2-CD2 3.84Å; I206-Y209 HydrophobicContact CG2-CE2 3.46Å; I206-Y209 VanDerWaalsContact CG2-CE2 3.46Å; P207-Y209 PolarHBondContact O-N 2.88Å; Y209-F211 HydrophobicContact CD1-CE1 4.37Å; Y209-F211 HydrophobicContact CD1-CZ 4.18Å; Y209-F211 HydrophobicContact CG-CZ 4.2Å; Y209-F211 PolarHBondContact O-N 2.68Å; Y209-N212 PolarHBondContact O-N 3.25Å; Y209-N212 VanDerWaalsContact O-N 3.14Å
210P62.8Low73.8Confident133 Ų13375.6 Ų75.686%0.86445%0.449SS*.THydrogen-bonded Turntrans-56-22-176.1-25.733.1000115.2
211F65Low73.9Confident103 Ų10371.4 Ų71.445%0.45242%0.423SS..THydrogen-bonded Turntrans-111.6-4.7-174.450.9-98000114.1Y209 L269Y209-F211 HydrophobicContact CD1-CE1 4.37Å; Y209-F211 HydrophobicContact CD1-CZ 4.18Å; Y209-F211 HydrophobicContact CG-CZ 4.2Å; Y209-F211 PolarHBondContact O-N 2.68Å; F211-L269 HydrophobicContact CB-CD1 3.76Å; F211-L269 HydrophobicContact CD1-CD1 4.1Å; F211-L269 HydrophobicContact CD2-CD1 3.35Å; F211-L269 HydrophobicContact CD2-CD2 4.16Å; F211-L269 HydrophobicContact CD2-CG 4.41Å; F211-L269 HydrophobicContact CE2-CD1 3.91Å; F211-L269 HydrophobicContact CE2-CD2 3.83Å; F211-L269 HydrophobicContact CG-CD1 3.45Å; F211-L269 VanDerWaalsContact CG-CD1 3.45Å; F211-L269 HydrophobicContact CZ-CD1 4.49Å; F211-L269 HydrophobicContact CZ-CD2 4.08Å
212N63.1Low73.9Confident10 Ų1071 Ų715%0.05342%0.422CS..BIsolated β-bridgetrans-127.599.9177.8-178.2-20.6000109.6Y209 E214 G215 L216 D242Y209-N212 PolarHBondContact O-N 3.25Å; Y209-N212 VanDerWaalsContact O-N 3.14Å; N212-E214 VanDerWaalsContact C-N 3.31Å; N212-E214 WeakPolarHBondContact OD1-CA 2.99Å; N212-E214 WeakPolarHBondContact OD1-CB 3.44Å; N212-E214 PolarHBondContact OD1-N 3.42Å; N212-G215 PolarHBondContact OD1-N 2.99Å; N212-G215 VanDerWaalsContact OD1-N 3.16Å; N212-L216 PolarHBondContact ND2-O 3.2Å; N212-D242 WeakPolarHBondContact CB-OD2 3.27Å; N212-D242 PolarHBondContact ND2-OD2 3.34Å
213S64.4Low74.2Confident103 Ų10370.3 Ų70.372%0.7241%0.406SS*.THydrogen-bonded Turntrans-78.1-15.2176.955.10000113.6G215S213-G215 VanDerWaalsContact C-N 3.29Å
214E66.9Low74.6Confident136 Ų13668.3 Ų68.364%0.63639%0.393SS*.THydrogen-bonded Turntrans-76.8-19.4-178.6-55.3-172.1170.300111.8N212 L216N212-E214 VanDerWaalsContact C-N 3.31Å; N212-E214 WeakPolarHBondContact OD1-CA 2.99Å; N212-E214 WeakPolarHBondContact OD1-CB 3.44Å; N212-E214 PolarHBondContact OD1-N 3.42Å; E214-L216 HydrophobicContact CB-CB 4.28Å; E214-L216 PolarHBondContact O-N 3.19Å
215G69.2Low74.9Confident13 Ų1370.3 Ų70.313%0.13439%0.391CS..  trans62.322-177.600000113G205 I206 N212 S213G205-G215 PolarHBondContact N-O 3.39Å; G205-G215 VanDerWaalsContact N-O 3.15Å; I206-G215 PolarHBondContact N-O 3.2Å; N212-G215 PolarHBondContact OD1-N 2.99Å; N212-G215 VanDerWaalsContact OD1-N 3.16Å; S213-G215 VanDerWaalsContact C-N 3.29Å
216L74.9Confident75.3Confident61 Ų6167.1 Ų67.132%0.31936%0.358SS..EExtended strand (participates in β ladder)trans-130.7130.8-171.4178.377.3000110.3N212 E214 A218N212-L216 PolarHBondContact ND2-O 3.2Å; E214-L216 HydrophobicContact CB-CB 4.28Å; E214-L216 PolarHBondContact O-N 3.19Å; L216-A218 HydrophobicContact CD2-CB 4.17Å; L216-A218 HydrophobicContact CG-CB 4.25Å
217I79.1Confident75.7Confident37 Ų3770.1 Ų70.119%0.1937%0.37CS..EExtended strand (participates in β ladder)trans-111.9115.8163.1-60.9174.2000107.5W201 G202 V203 I206 V240 T241 F243W201-I217 HydrophobicContact CH2-CG2 4.24Å; W201-I217 HydrophobicContact CZ3-CG2 4.25Å; G202-I217 CarbonylContact C-O 3.5Å; G202-I217 VanDerWaalsContact CA-O 3.25Å; G202-I217 WeakPolarHBondContact CA-O 3.29Å; V203-I217 PolarHBondContact N-O 3Å; V203-I217 PolarHBondContact O-N 3.08Å; I206-I217 HydrophobicContact CD1-CB 3.99Å; I206-I217 HydrophobicContact CD1-CD1 3.58Å; I206-I217 HydrophobicContact CD1-CG1 3.59Å; I217-V240 HydrophobicContact CG2-CG1 3.67Å; I217-T241 WeakPolarHBondContact CA-OG1 3.05Å; I217-F243 HydrophobicContact CD1-CE2 3.73Å; I217-F243 HydrophobicContact CD1-CZ 4.2Å; I217-F243 HydrophobicContact CG1-CE2 3.99Å; I217-F243 HydrophobicContact CG2-CD2 4.4Å; I217-F243 HydrophobicContact CG2-CE2 4.17Å
218A82.9Confident76.2Confident22 Ų2265.5 Ų65.518%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-126137.9178.500000110.8W201 L216 V240 T241W201-A218 CarbonylContact O-C 3.55Å; W201-A218 WeakPolarHBondContact O-CA 3.35Å; W201-A218 WeakPolarHBondContact O-CB 3.34Å; L216-A218 HydrophobicContact CD2-CB 4.17Å; L216-A218 HydrophobicContact CG-CB 4.25Å; A218-V240 CarbonylContact O-C 3.53Å; A218-V240 WeakPolarHBondContact O-CA 3.22Å; A218-T241 HydrophobicContact CB-CG2 4.15Å; A218-T241 PolarHBondContact N-OG1 3.11Å; A218-T241 WeakPolarHBondContact O-CG2 3.33Å; A218-T241 PolarHBondContact O-N 3.49Å; A218-T241 PolarHBondContact O-OG1 2.99Å
219G87.3Confident76.6Confident3 Ų359.2 Ų59.23%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-120.5155.317300000111V200 W201 G239V200-G219 CarbonylContact C-O 3.55Å; V200-G219 WeakPolarHBondContact CA-O 2.88Å; W201-G219 VanDerWaalsContact CE2-CA 3.49Å; W201-G219 PolarHBondContact N-O 3.28Å; W201-G219 PolarHBondContact O-N 3.01Å; W201-G219 VanDerWaalsContact O-O 3.05Å; G219-G239 CarbonylContact C-O 3.45Å; G219-G239 WeakPolarHBondContact CA-O 3.23Å
220G90Very high77.1Confident20 Ų2054.1 Ų54.121%0.20630%0.296CS..EExtended strand (participates in β ladder)trans-178.8173.8179.700000114.1N199 K238 G239N199-G220 WeakPolarHBondContact O-CA 3.16Å; G220-K238 CarbonylContact O-C 3.46Å; G220-K238 VanDerWaalsContact O-CA 3.28Å; G220-K238 WeakPolarHBondContact O-CA 3.13Å; G220-G239 PolarHBondContact N-O 3.03Å; G220-G239 PolarHBondContact O-N 2.88Å
221T90.9Very high77.7Confident8 Ų848.3 Ų48.35%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-119.5129.8167.2-580000108.5S197 R198 R236 T237 K238S197-T221 CarbonylContact C-O 3.56Å; S197-T221 WeakPolarHBondContact CA-O 3.42Å; R198-T221 PolarHBondContact N-O 3.5Å; R198-T221 PolarHBondContact O-N 3.41Å; T221-R236 HydrophobicContact CG2-CG 3.91Å; T221-R236 VanDerWaalsContact CG2-NE 3.29Å; T221-T237 CarbonylContact C-O 3.54Å; T221-T237 VanDerWaalsContact CA-O 3.27Å; T221-T237 WeakPolarHBondContact CA-O 3.49Å; T221-T237 WeakPolarHBondContact CG2-O 3.38Å; T221-K238 HydrophobicContact CG2-CB 4.35Å
222R88.8Confident78.5Confident125 Ų12544.5 Ų44.547%0.47225%0.25SS..EExtended strand (participates in β ladder)trans-120.7118.6174.1-178.7-178.5-173.7-172.81.3109.2A195 T237A195-R222 HydrophobicContact CB-CG 4.34Å; R222-T237 WeakPolarHBondContact CB-OG1 3.47Å; R222-T237 PolarHBondContact N-O 2.84Å; R222-T237 PolarHBondContact O-N 2.97Å; R222-T237 PolarHBondContact O-OG1 2.84Å; R222-T237 VanDerWaalsContact O-OG1 3.13Å
223N90.8Very high79.4Confident33 Ų3344.8 Ų44.818%0.17626%0.256CS..EExtended strand (participates in β ladder)trans-96.3120.2172-65.2-53.3000108.1A195 V196 M235 R236A195-N223 CarbonylContact C-O 3.46Å; A195-N223 VanDerWaalsContact CA-O 3.28Å; A195-N223 WeakPolarHBondContact CA-O 3.14Å; V196-N223 PolarHBondContact N-O 2.84Å; V196-N223 PolarHBondContact O-N 2.03Å; N223-M235 CarbonylContact C-O 3.51Å; N223-R236 WeakPolarHBondContact OD1-CB 2.98Å; N223-R236 VanDerWaalsContact OD1-CD 3.29Å; N223-R236 WeakPolarHBondContact OD1-CD 3.46Å; N223-R236 WeakPolarHBondContact OD1-CG 3.28Å
224N87.7Confident80.5Confident45 Ų4544.5 Ų44.524%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-110.9131.7175.9-166.3-15.5000108.8N193 V194 A195 W234 M235N193-N224 WeakPolarHBondContact CB-OD1 3.12Å; N193-N224 PolarHBondContact ND2-ND2 3.44Å; N193-N224 PolarHBondContact ND2-OD1 3.43Å; V194-N224 CarbonylContact O-C 3.55Å; V194-N224 WeakPolarHBondContact O-CA 3.38Å; V194-N224 PolarHBondContact O-OD1 3.26Å; A195-N224 HydrophobicContact CB-CB 4.48Å; N224-W234 CarbonylContact O-C 3.52Å; N224-W234 WeakPolarHBondContact O-CA 3.43Å; N224-M235 HydrophobicContact CB-CB 4.39Å; N224-M235 PolarHBondContact N-O 3.27Å; N224-M235 PolarHBondContact O-N 3.28Å
225I85.4Confident81.4Confident91 Ų9140.5 Ų40.547%0.46722%0.221SC..EExtended strand (participates in β ladder)trans-115.3107.2170.4-62.3167.4000106N193 V194 G233N193-I225 CarbonylContact C-O 3.58Å; N193-I225 VanDerWaalsContact CA-O 3.29Å; N193-I225 WeakPolarHBondContact CA-O 3.39Å; V194-I225 PolarHBondContact N-O 3.25Å; V194-I225 PolarHBondContact O-N 2.85Å; I225-G233 CarbonylContact C-O 3.59Å; I225-G233 WeakPolarHBondContact CA-O 3.37Å
226G80.7Confident82.4Confident12 Ų1245.3 Ų45.312%0.12424%0.235CC..EExtended strand (participates in β ladder)trans-88.3139.5171.800000110.1G192 G232 G233G192-G226 WeakPolarHBondContact O-CA 3.42Å; G226-G232 CarbonylContact O-C 3.55Å; G226-G232 VanDerWaalsContact O-CA 3.26Å; G226-G232 WeakPolarHBondContact O-CA 3Å; G226-G233 PolarHBondContact N-O 3.02Å; G226-G233 PolarHBondContact O-N 2.94Å
227F76.1Confident83.1Confident101 Ų10144.2 Ų44.244%0.44323%0.231SC..EExtended strand (participates in β ladder)trans-143148.3172.958.1-91.7000109.4G192 V194 G231G192-F227 PolarHBondContact N-O 2.91Å; G192-F227 PolarHBondContact O-N 2.76Å; V194-F227 HydrophobicContact CG2-CE1 4.06Å; F227-G231 CarbonylContact C-O 3.58Å
228G73.7Confident83.6Confident15 Ų1547.5 Ų47.516%0.15524%0.244CC..EExtended strand (participates in β ladder)trans176.3-171.8176.800000112.9L190 W230 G231L190-G228 CarbonylContact O-C 3.56Å; L190-G228 WeakPolarHBondContact O-CA 3.4Å; G228-W230 PolarHBondContact O-N 3.01Å; G228-W230 VanDerWaalsContact O-N 3.16Å; G228-G231 PolarHBondContact N-O 2.84Å; G228-G231 PolarHBondContact O-N 3.23Å
229D69.8Low83.9Confident40 Ų4047.3 Ų47.321%0.21424%0.244CC..THydrogen-bonded Turntrans-72-6.5177.9-61.6-41.8000113.3R171 I189 L190 W254 Q255R171-D229 IonicContact CZ-OD2 3.38Å; R171-D229 VanDerWaalsContact NH1-CG 3.27Å; R171-D229 IonicContact NH1-OD2 3.08Å; R171-D229 PolarHBondContact NH1-OD2 3.17Å; I189-D229 WeakPolarHBondContact CA-OD2 3.48Å; L190-D229 PolarHBondContact N-OD2 3.36Å; L190-D229 PolarHBondContact O-N 3.33Å; D229-W254 VanDerWaalsContact O-CE2 3.25Å; D229-W254 WeakPolarHBondContact O-CZ2 3.45Å; D229-W254 PolarHBondContact O-NE1 3.12Å; D229-Q255 PolarHBondContact O-NE2 3.22Å
230W69.1Low83.8Confident26 Ų2649.2 Ų49.210%0.09826%0.255CS..THydrogen-bonded Turntrans-87.2-12.1170.657.5-88.3000112.8Q168 D191 G228 N253 W254 Q255Q168-W230 HydrophobicContact CG-CB 4.5Å; D191-W230 PolarHBondContact OD1-NE1 3.34Å; G228-W230 PolarHBondContact O-N 3.01Å; G228-W230 VanDerWaalsContact O-N 3.16Å; W230-N253 HydrophobicContact CE3-CB 3.51Å; W230-N253 VanDerWaalsContact CE3-CG 3.45Å; W230-N253 HydrophobicContact CZ3-CB 3.89Å; W230-N253 CarbonylContact O-C 3.38Å; W230-N253 VanDerWaalsContact O-CA 3.27Å; W230-N253 WeakPolarHBondContact O-CA 3.35Å; W230-W254 VanDerWaalsContact C-CE2 3.43Å; W230-W254 VanDerWaalsContact O-CD2 3.25Å; W230-W254 PolarHBondContact O-N 2.98Å; W230-Q255 HydrophobicContact CB-CB 4.35Å; W230-Q255 HydrophobicContact CB-CG 4.01Å
231G75.8Confident83.2Confident10 Ų1050.4 Ų50.410%0.10326%0.258CS..EExtended strand (participates in β ladder)trans121.1-136.3-176.100000111.6F227 G228 A252F227-G231 CarbonylContact C-O 3.58Å; G228-G231 PolarHBondContact N-O 2.84Å; G228-G231 PolarHBondContact O-N 3.23Å; G231-A252 WeakPolarHBondContact CA-O 3.32Å
232G80.9Confident82.4Confident24 Ų2452 Ų5225%0.24727%0.267CS..EExtended strand (participates in β ladder)trans-155.7162.5-177.500000112G226 A252G226-G232 CarbonylContact O-C 3.55Å; G226-G232 VanDerWaalsContact O-CA 3.26Å; G226-G232 WeakPolarHBondContact O-CA 3Å; G232-A252 PolarHBondContact N-O 3.17Å; G232-A252 WeakPolarHBondContact O-CA 3.39Å; G232-A252 WeakPolarHBondContact O-CB 3.33Å; G232-A252 PolarHBondContact O-N 2.85Å
233G83.6Confident82Confident16 Ų1650.3 Ų50.317%0.16526%0.263CS..EExtended strand (participates in β ladder)trans-154.1150179.100000111.1I225 G226 V250I225-G233 CarbonylContact C-O 3.59Å; I225-G233 WeakPolarHBondContact CA-O 3.37Å; G226-G233 PolarHBondContact N-O 3.02Å; G226-G233 PolarHBondContact O-N 2.94Å; G233-V250 CarbonylContact C-O 3.47Å; G233-V250 WeakPolarHBondContact CA-O 3.42Å
234W87.1Confident81.7Confident97 Ų9753.6 Ų53.637%0.36727%0.273SS..EExtended strand (participates in β ladder)trans-119126.9167.6168.175.2000108.3N224 R236 G249 V250N224-W234 CarbonylContact O-C 3.52Å; N224-W234 WeakPolarHBondContact O-CA 3.43Å; W234-R236 HydrophobicContact CH2-CB 3.85Å; W234-R236 HydrophobicContact CZ2-CB 3.52Å; W234-R236 HydrophobicContact CZ2-CG 4.44Å; W234-G249 CarbonylContact O-C 3.54Å; W234-G249 WeakPolarHBondContact O-CA 3.5Å; W234-V250 PolarHBondContact N-O 2.86Å; W234-V250 PolarHBondContact O-N 2.85Å
235M85.8Confident81.6Confident52 Ų5256.2 Ų56.226%0.25628%0.283SS..EExtended strand (participates in β ladder)trans-130.1115.5-178.5-160.970.8-150.100110.2N223 N224 T237 Y247N223-M235 CarbonylContact C-O 3.51Å; N224-M235 HydrophobicContact CB-CB 4.39Å; N224-M235 PolarHBondContact N-O 3.27Å; N224-M235 PolarHBondContact O-N 3.28Å; M235-T237 HydrophobicContact CG-CG2 4.49Å; M235-Y247 HydrophobicContact CE-CD2 3.14Å; M235-Y247 HydrophobicContact CE-CE2 4.13Å; M235-Y247 HydrophobicContact CE-CG 3.61Å
236R90.5Very high81.7Confident113 Ų11354.8 Ų54.843%0.42628%0.275SS..EExtended strand (participates in β ladder)trans-99.2120.3169.6178.4170.6-177.4-1773.1109.6T221 N223 W234 Y247 K248T221-R236 HydrophobicContact CG2-CG 3.91Å; T221-R236 VanDerWaalsContact CG2-NE 3.29Å; N223-R236 WeakPolarHBondContact OD1-CB 2.98Å; N223-R236 VanDerWaalsContact OD1-CD 3.29Å; N223-R236 WeakPolarHBondContact OD1-CD 3.46Å; N223-R236 WeakPolarHBondContact OD1-CG 3.28Å; W234-R236 HydrophobicContact CH2-CB 3.85Å; W234-R236 HydrophobicContact CZ2-CB 3.52Å; W234-R236 HydrophobicContact CZ2-CG 4.44Å; R236-Y247 CarbonylContact O-C 3.59Å; R236-Y247 VanDerWaalsContact O-CA 3.25Å; R236-Y247 WeakPolarHBondContact O-CA 3.41Å; R236-K248 WeakPolarHBondContact CA-O 3.49Å; R236-K248 PolarHBondContact N-O 2.8Å; R236-K248 PolarHBondContact O-N 2.8Å
237T89.2Confident82.1Confident39 Ų3958 Ų5824%0.23928%0.284CS..EExtended strand (participates in β ladder)trans-106.9140.3169.4570000109T221 R222 M235 Q246T221-T237 CarbonylContact C-O 3.54Å; T221-T237 VanDerWaalsContact CA-O 3.27Å; T221-T237 WeakPolarHBondContact CA-O 3.49Å; T221-T237 WeakPolarHBondContact CG2-O 3.38Å; R222-T237 WeakPolarHBondContact CB-OG1 3.47Å; R222-T237 PolarHBondContact N-O 2.84Å; R222-T237 PolarHBondContact O-N 2.97Å; R222-T237 PolarHBondContact O-OG1 2.84Å; R222-T237 VanDerWaalsContact O-OG1 3.13Å; M235-T237 HydrophobicContact CG-CG2 4.49Å; T237-Q246 CarbonylContact C-O 3.57Å; T237-Q246 VanDerWaalsContact CA-O 3.27Å; T237-Q246 WeakPolarHBondContact CA-O 3.46Å
238K90.2Very high82.7Confident106 Ų10658.6 Ų58.646%0.46129%0.286SS..EExtended strand (participates in β ladder)trans-138.5138.3172169.1171.6168.2-175.90107.6G220 T221 Q246G220-K238 CarbonylContact O-C 3.46Å; G220-K238 VanDerWaalsContact O-CA 3.28Å; G220-K238 WeakPolarHBondContact O-CA 3.13Å; T221-K238 HydrophobicContact CG2-CB 4.35Å; K238-Q246 HydrophobicContact CB-CG 3.9Å; K238-Q246 VanDerWaalsContact CD-NE2 3.29Å; K238-Q246 HydrophobicContact CG-CG 4.37Å; K238-Q246 PolarHBondContact N-O 2.8Å; K238-Q246 WeakPolarHBondContact O-CG 3.33Å; K238-Q246 PolarHBondContact O-N 3.08Å; K238-Q246 VanDerWaalsContact O-O 3.12Å
239G88.2Confident83.2Confident18 Ų1857.9 Ų57.919%0.18628%0.279CS..EExtended strand (participates in β ladder)trans-172.5177.9-177.800000113.5G219 G220 W244G219-G239 CarbonylContact C-O 3.45Å; G219-G239 WeakPolarHBondContact CA-O 3.23Å; G220-G239 PolarHBondContact N-O 3.03Å; G220-G239 PolarHBondContact O-N 2.88Å; G239-W244 CarbonylContact C-O 3.54Å; G239-W244 WeakPolarHBondContact CA-O 2.93Å
240V84.8Confident83.8Confident42 Ų4258.1 Ų58.126%0.25528%0.282SS..EExtended strand (participates in β ladder)trans-125.1129.8165.8-173.50000105.6W201 I217 A218 D242 F243 W244W201-V240 HydrophobicContact CH2-CG1 3.95Å; W201-V240 HydrophobicContact CH2-CG2 4.47Å; W201-V240 HydrophobicContact CZ2-CG1 4.23Å; W201-V240 HydrophobicContact CZ2-CG2 3.96Å; I217-V240 HydrophobicContact CG2-CG1 3.67Å; A218-V240 CarbonylContact O-C 3.53Å; A218-V240 WeakPolarHBondContact O-CA 3.22Å; V240-D242 PolarHBondContact O-N 3.16Å; V240-F243 HydrophobicContact CB-CB 4.45Å; V240-F243 HydrophobicContact CG1-CD2 4.02Å; V240-F243 PolarHBondContact O-N 3.26Å; V240-W244 PolarHBondContact N-O 3.5Å; V240-W244 PolarHBondContact O-N 3.47Å
241T78.9Confident84.2Confident45 Ų4559.3 Ų59.328%0.27629%0.29SS..THydrogen-bonded Turntrans-47.8136.1179.847.50000110.1I217 A218 F243I217-T241 WeakPolarHBondContact CA-OG1 3.05Å; A218-T241 HydrophobicContact CB-CG2 4.15Å; A218-T241 PolarHBondContact N-OG1 3.11Å; A218-T241 WeakPolarHBondContact O-CG2 3.33Å; A218-T241 PolarHBondContact O-N 3.49Å; A218-T241 PolarHBondContact O-OG1 2.99Å; T241-F243 WeakPolarHBondContact O-CD2 3.42Å; T241-F243 PolarHBondContact O-N 3.49Å
242D72.6Confident84.1Confident43 Ų4360.6 Ų60.623%0.2330%0.3CS..THydrogen-bonded Turntrans62.7-31.6-177.2-48.8-27.8000117.2N212 V240 P268 L269N212-D242 WeakPolarHBondContact CB-OD2 3.27Å; N212-D242 PolarHBondContact ND2-OD2 3.34Å; V240-D242 PolarHBondContact O-N 3.16Å; D242-P268 WeakPolarHBondContact O-CD 3.28Å; D242-L269 WeakPolarHBondContact O-CB 3.27Å; D242-L269 PolarHBondContact O-N 3.21Å
243F81.5Confident83.5Confident89 Ų8960.6 Ų60.639%0.3929%0.294SS..THydrogen-bonded Turntrans-92.2-39.5-170.9-62-74.1000114.1I217 V240 T241 V267 L269I217-F243 HydrophobicContact CD1-CE2 3.73Å; I217-F243 HydrophobicContact CD1-CZ 4.2Å; I217-F243 HydrophobicContact CG1-CE2 3.99Å; I217-F243 HydrophobicContact CG2-CD2 4.4Å; I217-F243 HydrophobicContact CG2-CE2 4.17Å; V240-F243 HydrophobicContact CB-CB 4.45Å; V240-F243 HydrophobicContact CG1-CD2 4.02Å; V240-F243 PolarHBondContact O-N 3.26Å; T241-F243 WeakPolarHBondContact O-CD2 3.42Å; T241-F243 PolarHBondContact O-N 3.49Å; F243-V267 WeakPolarHBondContact O-CG1 3.15Å; F243-L269 HydrophobicContact CD1-CD2 4.46Å; F243-L269 HydrophobicContact CE1-CD2 4.26Å
244W84.9Confident82.7Confident101 Ų10166.6 Ų66.638%0.38331%0.312SS..EExtended strand (participates in β ladder)trans-157.2131.2-173.9-174.8-98.5000111.5G239 V240 F265 V267G239-W244 CarbonylContact C-O 3.54Å; G239-W244 WeakPolarHBondContact CA-O 2.93Å; V240-W244 PolarHBondContact N-O 3.5Å; V240-W244 PolarHBondContact O-N 3.47Å; W244-F265 HydrophobicContact CH2-CB 3.79Å; W244-F265 AromaticContact CH2-CD2 3.45Å; W244-F265 HydrophobicContact CH2-CD2 3.45Å; W244-F265 VanDerWaalsContact CH2-CD2 3.45Å; W244-F265 HydrophobicContact CH2-CE2 4.29Å; W244-F265 AromaticContact CH2-CG 3.83Å; W244-F265 HydrophobicContact CH2-CG 3.83Å; W244-F265 HydrophobicContact CZ2-CB 3.65Å; W244-F265 HydrophobicContact CZ2-CD2 4.23Å; W244-F265 HydrophobicContact CZ2-CG 4.19Å; W244-F265 AromaticContact CZ3-CD2 3.88Å; W244-F265 HydrophobicContact CZ3-CD2 3.88Å; W244-V267 HydrophobicContact CE3-CG2 3.7Å; W244-V267 HydrophobicContact CZ3-CG2 3.83Å
245Q85.7Confident81.4Confident100 Ų10063.8 Ų63.847%0.46730%0.303SS..EExtended strand (participates in β ladder)trans-131.4133.9169.3-171.1175.72.800108.1F265 G266Q245-F265 CarbonylContact O-C 3.49Å; Q245-F265 WeakPolarHBondContact O-CA 3.35Å; Q245-G266 PolarHBondContact N-O 3.19Å; Q245-G266 PolarHBondContact O-N 2.9Å
246Q87.5Confident80.1Confident61 Ų6163.3 Ų63.329%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-130.6149.4169.556.2173.2-6.500109.1T237 K238 G264 F265T237-Q246 CarbonylContact C-O 3.57Å; T237-Q246 VanDerWaalsContact CA-O 3.27Å; T237-Q246 WeakPolarHBondContact CA-O 3.46Å; K238-Q246 HydrophobicContact CB-CG 3.9Å; K238-Q246 VanDerWaalsContact CD-NE2 3.29Å; K238-Q246 HydrophobicContact CG-CG 4.37Å; K238-Q246 PolarHBondContact N-O 2.8Å; K238-Q246 WeakPolarHBondContact O-CG 3.33Å; K238-Q246 PolarHBondContact O-N 3.08Å; K238-Q246 VanDerWaalsContact O-O 3.12Å; Q246-G264 CarbonylContact C-O 3.22Å; Q246-G264 VanDerWaalsContact CA-O 3.3Å; Q246-G264 WeakPolarHBondContact CA-O 3.44Å; Q246-F265 HydrophobicContact CB-CB 4.4Å
247Y88.4Confident78.5Confident81 Ų8158.1 Ų58.132%0.31829%0.287SS..EExtended strand (participates in β ladder)trans-138.4143.8-179.769.8-107.3000109.6M235 R236 R263 G264M235-Y247 HydrophobicContact CE-CD2 3.14Å; M235-Y247 HydrophobicContact CE-CE2 4.13Å; M235-Y247 HydrophobicContact CE-CG 3.61Å; R236-Y247 CarbonylContact O-C 3.59Å; R236-Y247 VanDerWaalsContact O-CA 3.25Å; R236-Y247 WeakPolarHBondContact O-CA 3.41Å; Y247-R263 CarbonylContact O-C 3.51Å; Y247-R263 VanDerWaalsContact O-CA 3.28Å; Y247-R263 WeakPolarHBondContact O-CA 3.38Å; Y247-G264 VanDerWaalsContact CE2-N 3.3Å; Y247-G264 PolarHBondContact N-O 3.16Å; Y247-G264 PolarHBondContact O-N 3.14Å
248K87.5Confident77.4Confident112 Ų11264.5 Ų64.549%0.48731%0.306SS..EExtended strand (participates in β ladder)trans-145.9132.4170.8-179.9-178.5174.9-177.60108R236 S262 R263R236-K248 WeakPolarHBondContact CA-O 3.49Å; R236-K248 PolarHBondContact N-O 2.8Å; R236-K248 PolarHBondContact O-N 2.8Å; K248-S262 CarbonylContact C-O 3.57Å; K248-S262 VanDerWaalsContact CA-O 3.27Å; K248-S262 WeakPolarHBondContact CA-O 3.29Å; K248-R263 HydrophobicContact CB-CG 4.3Å; K248-R263 HydrophobicContact CG-CB 4.47Å; K248-R263 HydrophobicContact CG-CG 4.48Å
249G85.7Confident76.3Confident0 Ų064 Ų640%030%0.302CS..EExtended strand (participates in β ladder)trans-161.1179.1179.800000113.5W234 Y261 S262W234-G249 CarbonylContact O-C 3.54Å; W234-G249 WeakPolarHBondContact O-CA 3.5Å; G249-Y261 CarbonylContact O-C 3.46Å; G249-Y261 WeakPolarHBondContact O-CA 3.42Å; G249-S262 PolarHBondContact N-O 2.84Å; G249-S262 PolarHBondContact O-N 3.43Å
250V82.6Confident75.7Confident46 Ų4664.1 Ų64.128%0.27930%0.303SS..EExtended strand (participates in β ladder)trans-125.4131.3169.3-1760000106.3G233 W234 G260 Y261G233-V250 CarbonylContact C-O 3.47Å; G233-V250 WeakPolarHBondContact CA-O 3.42Å; W234-V250 PolarHBondContact N-O 2.86Å; W234-V250 PolarHBondContact O-N 2.85Å; V250-G260 WeakPolarHBondContact CA-O 3.42Å; V250-Y261 HydrophobicContact CG2-CD1 3.35Å; V250-Y261 HydrophobicContact CG2-CE1 3.2Å; V250-Y261 HydrophobicContact CG2-CG 4.16Å
251D76.6Confident75.5Confident51 Ų5169.4 Ų69.427%0.27332%0.32SS..EExtended strand (participates in β ladder)trans-119.8132.8172.4-165.7-94.2000108.1N253 Y259 G260D251-N253 WeakPolarHBondContact OD1-CB 2.86Å; D251-N253 PolarHBondContact OD1-N 2.93Å; D251-Y259 CarbonylContact O-C 3.58Å; D251-Y259 WeakPolarHBondContact O-CA 3.48Å; D251-G260 PolarHBondContact N-O 3.35Å; D251-G260 PolarHBondContact O-N 3.46Å
252A73.1Confident75.4Confident37 Ų3768.4 Ų68.431%0.30631%0.314SS..EExtended strand (participates in β ladder)trans-127.267.8175.200000107.7G231 G232 Y259G231-A252 WeakPolarHBondContact CA-O 3.32Å; G232-A252 PolarHBondContact N-O 3.17Å; G232-A252 WeakPolarHBondContact O-CA 3.39Å; G232-A252 WeakPolarHBondContact O-CB 3.33Å; G232-A252 PolarHBondContact O-N 2.85Å; A252-Y259 HydrophobicContact CB-CD1 4.18Å
253N69.7Low75.9Confident24 Ų2473.6 Ų73.613%0.12833%0.331CS..EExtended strand (participates in β ladder)trans-97.596.1177.6-172.6-39.8000110.4W230 D251 Q255 S256 G257 R258W230-N253 HydrophobicContact CE3-CB 3.51Å; W230-N253 VanDerWaalsContact CE3-CG 3.45Å; W230-N253 HydrophobicContact CZ3-CB 3.89Å; W230-N253 CarbonylContact O-C 3.38Å; W230-N253 VanDerWaalsContact O-CA 3.27Å; W230-N253 WeakPolarHBondContact O-CA 3.35Å; D251-N253 WeakPolarHBondContact OD1-CB 2.86Å; D251-N253 PolarHBondContact OD1-N 2.93Å; N253-Q255 PolarHBondContact O-N 2.78Å; N253-Q255 WeakPolarHBondContact OD1-CB 3.43Å; N253-Q255 PolarHBondContact OD1-N 3.43Å; N253-S256 WeakPolarHBondContact CB-OG 3.21Å; N253-S256 PolarHBondContact O-N 3.05Å; N253-S256 PolarHBondContact O-OG 3.35Å; N253-S256 PolarHBondContact OD1-N 2.82Å; N253-S256 PolarHBondContact OD1-OG 2.95Å; N253-G257 CarbonylContact O-C 3.58Å; N253-G257 PolarHBondContact O-N 2.87Å; N253-G257 VanDerWaalsContact O-N 3.07Å; N253-R258 PolarHBondContact N-O 2.81Å; N253-R258 PolarHBondContact O-N 2.78Å
254W66Low75.9Confident142 Ų14269.6 Ų69.654%0.53831%0.314SS..THydrogen-bonded Turntrans-66.3-24.1179.755.973.3000113.7D229 W230 G257 Y259D229-W254 VanDerWaalsContact O-CE2 3.25Å; D229-W254 WeakPolarHBondContact O-CZ2 3.45Å; D229-W254 PolarHBondContact O-NE1 3.12Å; W230-W254 VanDerWaalsContact C-CE2 3.43Å; W230-W254 VanDerWaalsContact O-CD2 3.25Å; W230-W254 PolarHBondContact O-N 2.98Å; W254-G257 PolarHBondContact O-N 2.93Å; W254-Y259 VanDerWaalsContact CA-CZ 3.44Å; W254-Y259 WeakPolarHBondContact CA-OH 3.17Å; W254-Y259 HydrophobicContact CB-CE1 4.04Å; W254-Y259 WeakPolarHBondContact CB-OH 3.12Å
255Q60.8Low76Confident37 Ų3769.1 Ų69.117%0.17332%0.315CS..THydrogen-bonded Turntrans-76-37-179.3-64.7-178.37.900112.7V167 D229 W230 N253 G257V167-Q255 HydrophobicContact CB-CB 4.39Å; V167-Q255 HydrophobicContact CG1-CB 4.07Å; V167-Q255 HydrophobicContact CG1-CG 4.31Å; D229-Q255 PolarHBondContact O-NE2 3.22Å; W230-Q255 HydrophobicContact CB-CB 4.35Å; W230-Q255 HydrophobicContact CB-CG 4.01Å; N253-Q255 PolarHBondContact O-N 2.78Å; N253-Q255 WeakPolarHBondContact OD1-CB 3.43Å; N253-Q255 PolarHBondContact OD1-N 3.43Å; Q255-G257 VanDerWaalsContact C-N 3.27Å
256S58.2Low75.5Confident42 Ų4265 Ų6529%0.29430%0.299SS..THydrogen-bonded Turntrans-86.6-1.917267.20000112.6N253 R258N253-S256 WeakPolarHBondContact CB-OG 3.21Å; N253-S256 PolarHBondContact O-N 3.05Å; N253-S256 PolarHBondContact O-OG 3.35Å; N253-S256 PolarHBondContact OD1-N 2.82Å; N253-S256 PolarHBondContact OD1-OG 2.95Å; S256-R258 PolarHBondContact O-N 2.82Å; S256-R258 WeakPolarHBondContact OG-CB 3.39Å; S256-R258 WeakPolarHBondContact OG-CD 3.26Å; S256-R258 VanDerWaalsContact OG-CG 3.29Å; S256-R258 WeakPolarHBondContact OG-CG 3.34Å; S256-R258 PolarHBondContact OG-N 2.82Å
257G57.3Low75.1Confident5 Ų563.8 Ų63.85%0.05230%0.296CS..THydrogen-bonded Turntrans61.818.2-172.600000113.2N253 W254 Q255 V280 G281 V282N253-G257 CarbonylContact O-C 3.58Å; N253-G257 PolarHBondContact O-N 2.87Å; N253-G257 VanDerWaalsContact O-N 3.07Å; W254-G257 PolarHBondContact O-N 2.93Å; Q255-G257 VanDerWaalsContact C-N 3.27Å; G257-V280 VanDerWaalsContact O-O 3.14Å; G257-G281 CarbonylContact O-C 3.49Å; G257-G281 WeakPolarHBondContact O-CA 3.27Å; G257-V282 PolarHBondContact O-N 2.78Å
258R65.3Low74.1Confident173 Ų17363.1 Ų63.165%0.65330%0.301SS*.EExtended strand (participates in β ladder)trans-93.5107.2-177.7-66.4177.5179.3-170.6-1.4109N253 S256N253-R258 PolarHBondContact N-O 2.81Å; N253-R258 PolarHBondContact O-N 2.78Å; S256-R258 PolarHBondContact O-N 2.82Å; S256-R258 WeakPolarHBondContact OG-CB 3.39Å; S256-R258 WeakPolarHBondContact OG-CD 3.26Å; S256-R258 VanDerWaalsContact OG-CG 3.29Å; S256-R258 WeakPolarHBondContact OG-CG 3.34Å; S256-R258 PolarHBondContact OG-N 2.82Å
259Y66.7Low73.1Confident95 Ų9561.7 Ų61.737%0.37330%0.299SS..EExtended strand (participates in β ladder)trans-124.1120.1172.5-56.7-92.2000109.2D251 A252 W254 G279 V280 V282D251-Y259 CarbonylContact O-C 3.58Å; D251-Y259 WeakPolarHBondContact O-CA 3.48Å; A252-Y259 HydrophobicContact CB-CD1 4.18Å; W254-Y259 VanDerWaalsContact CA-CZ 3.44Å; W254-Y259 WeakPolarHBondContact CA-OH 3.17Å; W254-Y259 HydrophobicContact CB-CE1 4.04Å; W254-Y259 WeakPolarHBondContact CB-OH 3.12Å; Y259-G279 CarbonylContact O-C 3.34Å; Y259-G279 WeakPolarHBondContact O-CA 2.9Å; Y259-V280 PolarHBondContact N-O 2.8Å; Y259-V280 PolarHBondContact O-N 2.85Å; Y259-V282 HydrophobicContact CE2-CG2 4.2Å
260G75.3Confident72.5Confident20 Ų2064.8 Ų64.821%0.20633%0.325CS..EExtended strand (participates in β ladder)trans152.3-171.6167.600000115.6V250 D251 A278V250-G260 WeakPolarHBondContact CA-O 3.42Å; D251-G260 PolarHBondContact N-O 3.35Å; D251-G260 PolarHBondContact O-N 3.46Å; G260-A278 CarbonylContact C-O 3.5Å; G260-A278 WeakPolarHBondContact CA-O 2.88Å
261Y80.6Confident71.8Confident154 Ų15465.8 Ų65.860%0.60434%0.344SS*.EExtended strand (participates in β ladder)trans-86.4128.4-178.8-65.8-92.4000109.7G249 V250 T277 A278G249-Y261 CarbonylContact O-C 3.46Å; G249-Y261 WeakPolarHBondContact O-CA 3.42Å; V250-Y261 HydrophobicContact CG2-CD1 3.35Å; V250-Y261 HydrophobicContact CG2-CE1 3.2Å; V250-Y261 HydrophobicContact CG2-CG 4.16Å; Y261-T277 CarbonylContact O-C 3.47Å; Y261-T277 WeakPolarHBondContact O-CA 3.48Å; Y261-A278 PolarHBondContact N-O 2.76Å; Y261-A278 PolarHBondContact O-N 2.78Å
262S78.4Confident71.6Confident23 Ų2367.2 Ų67.216%0.16136%0.355CS..EExtended strand (participates in β ladder)trans-112.6137.1169.365.40000109.2K248 G249K248-S262 CarbonylContact C-O 3.57Å; K248-S262 VanDerWaalsContact CA-O 3.27Å; K248-S262 WeakPolarHBondContact CA-O 3.29Å; G249-S262 PolarHBondContact N-O 2.84Å; G249-S262 PolarHBondContact O-N 3.43Å
263R82.8Confident71.4Confident152 Ų15270.2 Ų70.257%0.57437%0.373SS*.EExtended strand (participates in β ladder)trans-141.1138.1170.1-175.5179.9179.6-172-1.9108.6Y247 K248 G275 T276Y247-R263 CarbonylContact O-C 3.51Å; Y247-R263 VanDerWaalsContact O-CA 3.28Å; Y247-R263 WeakPolarHBondContact O-CA 3.38Å; K248-R263 HydrophobicContact CB-CG 4.3Å; K248-R263 HydrophobicContact CG-CB 4.47Å; K248-R263 HydrophobicContact CG-CG 4.48Å; R263-G275 CarbonylContact O-C 3.49Å; R263-G275 WeakPolarHBondContact O-CA 3.25Å; R263-T276 PolarHBondContact N-O 3.41Å; R263-T276 PolarHBondContact O-N 2.82Å
264G81.5Confident71.4Confident5 Ų570.2 Ų70.25%0.05238%0.379CS..EExtended strand (participates in β ladder)trans-160172.1174.600000112.4Q246 Y247 G274Q246-G264 CarbonylContact C-O 3.22Å; Q246-G264 VanDerWaalsContact CA-O 3.3Å; Q246-G264 WeakPolarHBondContact CA-O 3.44Å; Y247-G264 VanDerWaalsContact CE2-N 3.3Å; Y247-G264 PolarHBondContact N-O 3.16Å; Y247-G264 PolarHBondContact O-N 3.14Å; G264-G274 CarbonylContact C-O 3.4Å; G264-G274 WeakPolarHBondContact CA-O 3.19Å
265F85.7Confident71.7Confident92 Ų9266 Ų6640%0.40438%0.38SS..EExtended strand (participates in β ladder)trans-140.7159.1174.671.3-84.5000109.3W244 Q245 Q246 S273 G274W244-F265 HydrophobicContact CH2-CB 3.79Å; W244-F265 AromaticContact CH2-CD2 3.45Å; W244-F265 HydrophobicContact CH2-CD2 3.45Å; W244-F265 VanDerWaalsContact CH2-CD2 3.45Å; W244-F265 HydrophobicContact CH2-CE2 4.29Å; W244-F265 AromaticContact CH2-CG 3.83Å; W244-F265 HydrophobicContact CH2-CG 3.83Å; W244-F265 HydrophobicContact CZ2-CB 3.65Å; W244-F265 HydrophobicContact CZ2-CD2 4.23Å; W244-F265 HydrophobicContact CZ2-CG 4.19Å; W244-F265 AromaticContact CZ3-CD2 3.88Å; W244-F265 HydrophobicContact CZ3-CD2 3.88Å; Q245-F265 CarbonylContact O-C 3.49Å; Q245-F265 WeakPolarHBondContact O-CA 3.35Å; Q246-F265 HydrophobicContact CB-CB 4.4Å; F265-S273 CarbonylContact O-C 3.33Å; F265-S273 WeakPolarHBondContact O-CA 3.42Å; F265-G274 WeakPolarHBondContact CD1-O 3.3Å; F265-G274 PolarHBondContact N-O 3.17Å; F265-G274 PolarHBondContact O-N 3.49Å; F265-G274 VanDerWaalsContact O-O 3.09Å
266G76.9Confident72.1Confident12 Ų1269 Ų6912%0.12440%0.4CS..EExtended strand (participates in β ladder)trans-158.9154.3174.700000111.1Q245 V272Q245-G266 PolarHBondContact N-O 3.19Å; Q245-G266 PolarHBondContact O-N 2.9Å; G266-V272 CarbonylContact C-O 3.51Å; G266-V272 WeakPolarHBondContact CA-O 3.33Å
267V79Confident72.1Confident36 Ų3672.5 Ų72.522%0.21842%0.42CS..EExtended strand (participates in β ladder)trans-118.993174.6179.10000105.2F243 W244 L269 A270 G271 V272F243-V267 WeakPolarHBondContact O-CG1 3.15Å; W244-V267 HydrophobicContact CE3-CG2 3.7Å; W244-V267 HydrophobicContact CZ3-CG2 3.83Å; V267-L269 PolarHBondContact O-N 3.39Å; V267-A270 HydrophobicContact CB-CB 4.01Å; V267-A270 HydrophobicContact CG1-CB 3.51Å; V267-A270 PolarHBondContact O-N 3.07Å; V267-G271 PolarHBondContact O-N 3.24Å; V267-V272 PolarHBondContact N-O 3.44Å; V267-V272 PolarHBondContact O-N 3.25Å
268P66.6Low72Confident67 Ų6775.5 Ų75.544%0.43544%0.444SS..G310 helixtrans-51.6-43.7-175.8-27.233.5000112.5D242 A270 G271D242-P268 WeakPolarHBondContact O-CD 3.28Å; P268-A270 VanDerWaalsContact C-N 3.32Å; P268-A270 PolarHBondContact O-N 2.95Å; P268-G271 PolarHBondContact O-N 3.42Å
269L67.1Low71.4Confident82 Ų8269.7 Ų69.743%0.42944%0.438SS..G310 helixtrans-62.7-34.9179.9-173.362.5000113.8F211 D242 F243 V267F211-L269 HydrophobicContact CB-CD1 3.76Å; F211-L269 HydrophobicContact CD1-CD1 4.1Å; F211-L269 HydrophobicContact CD2-CD1 3.35Å; F211-L269 HydrophobicContact CD2-CD2 4.16Å; F211-L269 HydrophobicContact CD2-CG 4.41Å; F211-L269 HydrophobicContact CE2-CD1 3.91Å; F211-L269 HydrophobicContact CE2-CD2 3.83Å; F211-L269 HydrophobicContact CG-CD1 3.45Å; F211-L269 VanDerWaalsContact CG-CD1 3.45Å; F211-L269 HydrophobicContact CZ-CD1 4.49Å; F211-L269 HydrophobicContact CZ-CD2 4.08Å; D242-L269 WeakPolarHBondContact O-CB 3.27Å; D242-L269 PolarHBondContact O-N 3.21Å; F243-L269 HydrophobicContact CD1-CD2 4.46Å; F243-L269 HydrophobicContact CE1-CD2 4.26Å; V267-L269 PolarHBondContact O-N 3.39Å
270A71.6Confident70.5Confident66 Ų6670.3 Ų70.355%0.54545%0.452SS..G310 helixtrans-91.8-6.7179.600000112.8V267 P268 V272V267-A270 HydrophobicContact CB-CB 4.01Å; V267-A270 HydrophobicContact CG1-CB 3.51Å; V267-A270 PolarHBondContact O-N 3.07Å; P268-A270 VanDerWaalsContact C-N 3.32Å; P268-A270 PolarHBondContact O-N 2.95Å; A270-V272 HydrophobicContact CB-CG2 4.02Å; A270-V272 PolarHBondContact O-N 3.2Å; A270-V272 VanDerWaalsContact O-N 3.12Å
271G69.1Low68.8Low67 Ų6771.9 Ų71.969%0.69147%0.468SS*.THydrogen-bonded Turntrans63.410.7-172.500000114.3V267 P268V267-G271 PolarHBondContact O-N 3.24Å; P268-G271 PolarHBondContact O-N 3.42Å
272V71.4Confident66.9Low81 Ų8169 Ų6949%0.49147%0.467SS..EExtended strand (participates in β ladder)trans-87.9129.9-178.8-179.70000108.8G266 V267 A270G266-V272 CarbonylContact C-O 3.51Å; G266-V272 WeakPolarHBondContact CA-O 3.33Å; V267-V272 PolarHBondContact N-O 3.44Å; V267-V272 PolarHBondContact O-N 3.25Å; A270-V272 HydrophobicContact CB-CG2 4.02Å; A270-V272 PolarHBondContact O-N 3.2Å; A270-V272 VanDerWaalsContact O-N 3.12Å
273S70.2Confident64.7Low100 Ų10070.1 Ų70.170%0.69948%0.481SS*.EExtended strand (participates in β ladder)trans-139.4149.9169.863.50000110.8F265F265-S273 CarbonylContact O-C 3.33Å; F265-S273 WeakPolarHBondContact O-CA 3.42Å
274G68.1Low62.3Low24 Ų2472 Ų7225%0.24750%0.496CS..EExtended strand (participates in β ladder)trans-143.6132.9177.200000109.2G264 F265G264-G274 CarbonylContact C-O 3.4Å; G264-G274 WeakPolarHBondContact CA-O 3.19Å; F265-G274 WeakPolarHBondContact CD1-O 3.3Å; F265-G274 PolarHBondContact N-O 3.17Å; F265-G274 PolarHBondContact O-N 3.49Å; F265-G274 VanDerWaalsContact O-O 3.09Å
275G73.2Confident59.7Low53 Ų5374.4 Ų74.455%0.54652%0.522SS..EExtended strand (participates in β ladder)trans-143.4143.3-17800000111.5R263R263-G275 CarbonylContact O-C 3.49Å; R263-G275 WeakPolarHBondContact O-CA 3.25Å
276T68.8Low57Low100 Ų10078 Ų7861%0.61354%0.543SS*.EExtended strand (participates in β ladder)trans-113.8134.6164.659.90000108.6R263R263-T276 PolarHBondContact N-O 3.41Å; R263-T276 PolarHBondContact O-N 2.82Å
277T59.2Low54.5Low115 Ų11579.5 Ų79.571%0.70656%0.559SS**EExtended strand (participates in β ladder)trans-119.1121.4167.954.30000106.6Y261Y261-T277 CarbonylContact O-C 3.47Å; Y261-T277 WeakPolarHBondContact O-CA 3.48Å
278A54.6Low52.4Low68 Ų6886.1 Ų86.156%0.56259%0.591SS**EExtended strand (participates in β ladder)trans-110.998173.900000106.3G260 Y261G260-A278 CarbonylContact C-O 3.5Å; G260-A278 WeakPolarHBondContact CA-O 2.88Å; Y261-A278 PolarHBondContact N-O 2.76Å; Y261-A278 PolarHBondContact O-N 2.78Å
279G53.4Low50.7Low51 Ų5188.2 Ų88.253%0.52660%0.598SS.*EExtended strand (participates in β ladder)trans-160.5154.1-174.100000113.2Y259 G281Y259-G279 CarbonylContact O-C 3.34Å; Y259-G279 WeakPolarHBondContact O-CA 2.9Å; G279-G281 PolarHBondContact O-N 2.89Å
280V47.1Very low48.9Very low108 Ų10886.7 Ų86.766%0.65560%0.603SS**EExtended strand (participates in β ladder)trans-84.4101.4168.2-1770000106G257 Y259 V282G257-V280 VanDerWaalsContact O-O 3.14Å; Y259-V280 PolarHBondContact N-O 2.8Å; Y259-V280 PolarHBondContact O-N 2.85Å; V280-V282 PolarHBondContact O-N 2.72Å
281G39.9Very low47Very low53 Ų5386.2 Ų86.255%0.54660%0.604SS.*EExtended strand (participates in β ladder)trans-79.3109163.300000108.3G257 G279 G283G257-G281 CarbonylContact O-C 3.49Å; G257-G281 WeakPolarHBondContact O-CA 3.27Å; G279-G281 PolarHBondContact O-N 2.89Å; G281-G283 PolarHBondContact O-N 2.83Å
282V41.4Very low45.6Very low95 Ų9584.6 Ų84.658%0.57658%0.58SS**  trans-76.368.9153.2-150.30000104.6G257 Y259 V280G257-V282 PolarHBondContact O-N 2.78Å; Y259-V282 HydrophobicContact CE2-CG2 4.2Å; V280-V282 PolarHBondContact O-N 2.72Å
283G32.1Very low44.2Very low45 Ų4584.3 Ų84.346%0.46459%0.585SS.*  trans-55.4161.4-174.600000109.8G281 G285G281-G283 PolarHBondContact O-N 2.83Å; G283-G285 PolarHBondContact O-N 2.76Å
284E32.2Very low42.9Very low191 Ų19187.6 Ų87.689%0.89359%0.589SS**SBendtrans-52.59.2174.1-71.1171.6132.200115.2I286E284-I286 PolarHBondContact O-N 2.8Å
285G26.7Very low42.2Very low57 Ų5786.9 Ų86.959%0.58858%0.582SS**SBendtrans-7594.5168.400000112.2G283 G287G283-G285 PolarHBondContact O-N 2.76Å; G285-G287 VanDerWaalsContact C-N 3.3Å; G285-G287 PolarHBondContact O-N 2.78Å
286I28.6Very low41.8Very low167 Ų16788.2 Ų88.286%0.85657%0.572SS**SBendtrans58.533.1147.1-39169.1000114.5E284E284-I286 PolarHBondContact O-N 2.8Å
287G25.2Very low42.1Very low44 Ų4486.5 Ų86.545%0.45457%0.567SS.*SBendtrans-106.280.3176.200000112.2G285 L289G285-G287 VanDerWaalsContact C-N 3.3Å; G285-G287 PolarHBondContact O-N 2.78Å; G287-L289 PolarHBondContact O-N 3.03Å
288I33.3Very low42.9Very low174 Ų17481.8 Ų81.889%0.89254%0.542SS*.SBendtrans57.7-34.8169.7-53.2176.7000116.8G290I288-G290 VanDerWaalsContact C-N 3.34Å
289L32.6Very low44.2Very low111 Ų11178.6 Ų78.658%0.58152%0.515SS*.G310 helixtrans-81.1-8.5174.2-72.4157.6000113.1G287 G291 L292G287-L289 PolarHBondContact O-N 3.03Å; L289-G291 PolarHBondContact O-N 2.79Å; L289-G291 VanDerWaalsContact O-N 3.11Å; L289-L292 HydrophobicContact CB-CD1 4.26Å; L289-L292 HydrophobicContact CD2-CD1 3.3Å; L289-L292 HydrophobicContact CD2-CG 4.29Å; L289-L292 HydrophobicContact CG-CD1 4.39Å; L289-L292 VanDerWaalsContact O-CB 3.26Å; L289-L292 WeakPolarHBondContact O-CB 3.03Å; L289-L292 PolarHBondContact O-N 2.76Å
290G28.1Very low45.5Very low51 Ų5178 Ų7853%0.52650%0.501SS..G310 helixtrans-58.2-20.8169.900000113.2I288 L292 A293I288-G290 VanDerWaalsContact C-N 3.34Å; G290-L292 PolarHBondContact O-N 2.81Å; G290-A293 PolarHBondContact O-N 2.74Å
291G31.3Very low47.2Very low56 Ų5674.4 Ų74.458%0.57748%0.483SS*.G310 helixtrans-63.7-18.3169.100000114.3L289L289-G291 PolarHBondContact O-N 2.79Å; L289-G291 VanDerWaalsContact O-N 3.11Å
292L40Very low49.3Very low33 Ų3371.9 Ų71.917%0.17346%0.457CS..Hα-helixtrans-77.2-20.8-179.5-73.7168.9000114I170 L289 G290 H294 G295 Y296I170-L292 HydrophobicContact CD1-CD1 4.02Å; I170-L292 HydrophobicContact CD1-CD2 3.78Å; L289-L292 HydrophobicContact CB-CD1 4.26Å; L289-L292 HydrophobicContact CD2-CD1 3.3Å; L289-L292 HydrophobicContact CD2-CG 4.29Å; L289-L292 HydrophobicContact CG-CD1 4.39Å; L289-L292 VanDerWaalsContact O-CB 3.26Å; L289-L292 WeakPolarHBondContact O-CB 3.03Å; L289-L292 PolarHBondContact O-N 2.76Å; G290-L292 PolarHBondContact O-N 2.81Å; L292-H294 PolarHBondContact O-N 2.76Å; L292-G295 PolarHBondContact O-N 2.79Å; L292-G295 VanDerWaalsContact O-N 3.09Å; L292-Y296 WeakPolarHBondContact O-CB 3.42Å; L292-Y296 PolarHBondContact O-N 2.74Å
293A43.1Very low51.2Low74 Ų7467.4 Ų67.461%0.61243%0.429SS*.Hα-helixtrans-60.3-37.217700000111.2G290G290-A293 PolarHBondContact O-N 2.74Å
294H43.3Very low53.5Low169 Ų16970 Ų7078%0.78243%0.426SS*.Hα-helixtrans-76.5-32.4175.1-68.583.6000112.3L292L292-H294 PolarHBondContact O-N 2.76Å
295G52.8Low55.8Low10 Ų1064.5 Ų64.510%0.10340%0.4CS..Hα-helixtrans-67.1-36173.900000113.2V157 L292 A297 G298 M299V157-G295 WeakPolarHBondContact CG1-O 3.03Å; L292-G295 PolarHBondContact O-N 2.79Å; L292-G295 VanDerWaalsContact O-N 3.09Å; G295-A297 PolarHBondContact O-N 2.76Å; G295-G298 PolarHBondContact O-N 2.77Å; G295-M299 WeakPolarHBondContact O-CG 3.46Å; G295-M299 PolarHBondContact O-N 3.29Å; G295-M299 VanDerWaalsContact O-N 3.1Å
296Y64.5Low58.1Low81 Ų8161.8 Ų61.832%0.31837%0.372SS..Hα-helixtrans-62-44.5-175.4-171.8-107.1000112.3I170 Y173 L292 G298 M299 V300I170-Y296 HydrophobicContact CG2-CD2 3.82Å; I170-Y296 HydrophobicContact CG2-CE2 4.26Å; Y173-Y296 HydrophobicContact CD2-CE2 4.06Å; Y173-Y296 AromaticContact CE2-CE2 3.56Å; Y173-Y296 HydrophobicContact CE2-CE2 3.56Å; Y173-Y296 AromaticContact CE2-CZ 3.93Å; Y173-Y296 PolarHBondContact OH-OH 3.41Å; L292-Y296 WeakPolarHBondContact O-CB 3.42Å; L292-Y296 PolarHBondContact O-N 2.74Å; Y296-G298 VanDerWaalsContact C-N 3.29Å; Y296-G298 PolarHBondContact O-N 2.87Å; Y296-M299 PolarHBondContact O-N 2.85Å; Y296-M299 VanDerWaalsContact O-N 3.13Å; Y296-V300 HydrophobicContact CD1-CG2 3.83Å; Y296-V300 HydrophobicContact CD2-CG2 4.41Å; Y296-V300 HydrophobicContact CE1-CG2 3.47Å; Y296-V300 VanDerWaalsContact CE1-CG2 3.47Å; Y296-V300 HydrophobicContact CE2-CG2 4.12Å; Y296-V300 HydrophobicContact CG-CG2 4.29Å; Y296-V300 WeakPolarHBondContact O-CB 3.46Å; Y296-V300 VanDerWaalsContact O-CG2 3.3Å; Y296-V300 WeakPolarHBondContact O-CG2 3.27Å; Y296-V300 PolarHBondContact O-N 3.26Å
297A74.7Confident60.2Low64 Ų6458 Ų5853%0.52935%0.35SS..Hα-helixtrans-58.7-41.4178.300000112G295 A301G295-A297 PolarHBondContact O-N 2.76Å; A297-A301 VanDerWaalsContact O-CB 3.29Å; A297-A301 WeakPolarHBondContact O-CB 3.43Å; A297-A301 PolarHBondContact O-N 3.13Å
298G76.4Confident62.4Low16 Ų1662.2 Ų62.217%0.16536%0.356CS..Hα-helixtrans-66.2-37.7176.200000113.2Y154 G295 Y296 A301 F302Y154-G298 WeakPolarHBondContact CD1-O 3.38Å; Y154-G298 VanDerWaalsContact CE1-O 3.23Å; Y154-G298 WeakPolarHBondContact CE1-O 3.45Å; G295-G298 PolarHBondContact O-N 2.77Å; Y296-G298 VanDerWaalsContact C-N 3.29Å; Y296-G298 PolarHBondContact O-N 2.87Å; G298-A301 PolarHBondContact O-N 2.77Å; G298-F302 PolarHBondContact O-N 3.05Å
299M80.9Confident64.2Low0 Ų056.2 Ų56.20%033%0.332CS..Hα-helixtrans-69.6-42.6177.4-64.9169.4118.500112.3V157 F158 C162 I170 Y173 C174 G295 Y296 A301 F302 C303V157-M299 HydrophobicContact CG1-CG 3.91Å; F158-M299 HydrophobicContact CD1-CE 3.74Å; F158-M299 HydrophobicContact CD1-CG 4.49Å; F158-M299 HydrophobicContact CE1-CB 4.35Å; F158-M299 HydrophobicContact CE1-CE 3.69Å; F158-M299 HydrophobicContact CE1-CG 3.95Å; F158-M299 HydrophobicContact CE2-CG 4.25Å; F158-M299 HydrophobicContact CZ-CB 3.93Å; F158-M299 HydrophobicContact CZ-CE 4.48Å; F158-M299 HydrophobicContact CZ-CG 3.81Å; C162-M299 WeakPolarHBondContact SG-CE 3.28Å; I170-M299 HydrophobicContact CB-SD 4.42Å; Y173-M299 HydrophobicContact CG-CB 4.4Å; C174-M299 WeakPolarHBondContact SG-CE 3.41Å; G295-M299 WeakPolarHBondContact O-CG 3.46Å; G295-M299 PolarHBondContact O-N 3.29Å; G295-M299 VanDerWaalsContact O-N 3.1Å; Y296-M299 PolarHBondContact O-N 2.85Å; Y296-M299 VanDerWaalsContact O-N 3.13Å; M299-A301 VanDerWaalsContact C-N 3.32Å; M299-F302 PolarHBondContact O-N 3.19Å; M299-C303 PolarHBondContact O-N 3.21Å; M299-C303 VanDerWaalsContact O-N 3.1Å
300V82Confident65.8Low40 Ų4052.2 Ų52.224%0.24232%0.318CS..Hα-helixtrans-61-44.4173.5170.80000109.9Y173 Y296 C303 Y304 M315Y173-V300 HydrophobicContact CE1-CG2 4.03Å; Y296-V300 HydrophobicContact CD1-CG2 3.83Å; Y296-V300 HydrophobicContact CD2-CG2 4.41Å; Y296-V300 HydrophobicContact CE1-CG2 3.47Å; Y296-V300 VanDerWaalsContact CE1-CG2 3.47Å; Y296-V300 HydrophobicContact CE2-CG2 4.12Å; Y296-V300 HydrophobicContact CG-CG2 4.29Å; Y296-V300 WeakPolarHBondContact O-CB 3.46Å; Y296-V300 VanDerWaalsContact O-CG2 3.3Å; Y296-V300 WeakPolarHBondContact O-CG2 3.27Å; Y296-V300 PolarHBondContact O-N 3.26Å; V300-C303 PolarHBondContact O-N 3.01Å; V300-Y304 VanDerWaalsContact O-CB 3.28Å; V300-Y304 WeakPolarHBondContact O-CB 3.29Å; V300-Y304 PolarHBondContact O-N 2.93Å; V300-M315 HydrophobicContact CG1-CE 3.78Å
301A83Confident67.7Low32 Ų3250.9 Ų50.926%0.26430%0.299SS..Hα-helixtrans-61.7-43.5176.700000112.2Y154 A297 G298 M299 C303 Y304 E305Y154-A301 HydrophobicContact CE1-CB 4.13Å; Y154-A301 WeakPolarHBondContact OH-CB 3.49Å; A297-A301 VanDerWaalsContact O-CB 3.29Å; A297-A301 WeakPolarHBondContact O-CB 3.43Å; A297-A301 PolarHBondContact O-N 3.13Å; G298-A301 PolarHBondContact O-N 2.77Å; M299-A301 VanDerWaalsContact C-N 3.32Å; A301-C303 PolarHBondContact O-N 3.24Å; A301-Y304 PolarHBondContact O-N 3.23Å; A301-E305 VanDerWaalsContact O-CG 3.26Å; A301-E305 WeakPolarHBondContact O-CG 3.35Å; A301-E305 PolarHBondContact O-N 3.15Å
302F84Confident69.4Low0 Ų048.9 Ų48.90%028%0.275CS..Hα-helixtrans-56.5-51.2174.5168.8-102.7000112.4L150 Y154 F158 T176 Y177 G298 M299 Y304 E305 L306L150-F302 HydrophobicContact CB-CD2 4.14Å; L150-F302 HydrophobicContact CB-CE2 3.97Å; Y154-F302 HydrophobicContact CD1-CB 4.1Å; Y154-F302 HydrophobicContact CD2-CB 3.78Å; Y154-F302 AromaticContact CD2-CD2 3.65Å; Y154-F302 HydrophobicContact CD2-CD2 3.65Å; Y154-F302 HydrophobicContact CD2-CG 4.2Å; Y154-F302 HydrophobicContact CE1-CB 4.38Å; Y154-F302 HydrophobicContact CE2-CB 4.06Å; Y154-F302 HydrophobicContact CE2-CD2 4.37Å; Y154-F302 HydrophobicContact CG-CB 3.78Å; Y154-F302 HydrophobicContact CG-CD2 4.08Å; Y154-F302 HydrophobicContact CG-CG 4.34Å; F158-F302 HydrophobicContact CE1-CD1 4.5Å; F158-F302 HydrophobicContact CE2-CB 3.72Å; F158-F302 AromaticContact CE2-CD1 3.56Å; F158-F302 HydrophobicContact CE2-CD1 3.56Å; F158-F302 HydrophobicContact CE2-CD2 4.32Å; F158-F302 HydrophobicContact CE2-CE1 4.21Å; F158-F302 AromaticContact CE2-CG 3.6Å; F158-F302 HydrophobicContact CE2-CG 3.6Å; F158-F302 HydrophobicContact CZ-CB 4.1Å; F158-F302 AromaticContact CZ-CD1 3.43Å; F158-F302 HydrophobicContact CZ-CD1 3.43Å; F158-F302 VanDerWaalsContact CZ-CD1 3.43Å; F158-F302 HydrophobicContact CZ-CE1 4.05Å; F158-F302 AromaticContact CZ-CG 3.94Å; F158-F302 HydrophobicContact CZ-CG 3.94Å; T176-F302 HydrophobicContact CG2-CE1 4.24Å; Y177-F302 HydrophobicContact CD2-CE1 4.12Å; Y177-F302 HydrophobicContact CD2-CE2 4.24Å; Y177-F302 AromaticContact CD2-CZ 3.84Å; Y177-F302 HydrophobicContact CD2-CZ 3.84Å; G298-F302 PolarHBondContact O-N 3.05Å; M299-F302 PolarHBondContact O-N 3.19Å; F302-Y304 VanDerWaalsContact C-N 3.32Å; F302-Y304 PolarHBondContact O-N 3.43Å; F302-E305 PolarHBondContact O-N 3.47Å; F302-L306 HydrophobicContact CD1-CD1 4.12Å; F302-L306 HydrophobicContact CE1-CD1 3.46Å; F302-L306 VanDerWaalsContact CE1-CD1 3.46Å; F302-L306 HydrophobicContact CE1-CG 4.41Å; F302-L306 HydrophobicContact CE2-CD1 4.04Å; F302-L306 HydrophobicContact CE2-CG 4.28Å; F302-L306 HydrophobicContact CZ-CD1 3.43Å; F302-L306 VanDerWaalsContact CZ-CD1 3.43Å; F302-L306 HydrophobicContact CZ-CG 4.16Å; F302-L306 PolarHBondContact O-N 2.91Å
303C80.7Confident70.3Confident0 Ų049 Ų490%028%0.281CS..Hα-helixtrans-65.7-36.5179.3-74.50000112Y173 M299 V300 A301 L306 F307 I312 M315 P316Y173-C303 HydrophobicContact CD1-CB 4.06Å; Y173-C303 HydrophobicContact CE1-CB 4.32Å; M299-C303 PolarHBondContact O-N 3.21Å; M299-C303 VanDerWaalsContact O-N 3.1Å; V300-C303 PolarHBondContact O-N 3.01Å; A301-C303 PolarHBondContact O-N 3.24Å; C303-L306 PolarHBondContact O-N 2.98Å; C303-F307 WeakPolarHBondContact O-CB 3.28Å; C303-F307 PolarHBondContact O-N 2.75Å; C303-I312 HydrophobicContact CB-CD1 4.2Å; C303-I312 VanDerWaalsContact O-CD1 3.26Å; C303-I312 WeakPolarHBondContact O-CD1 3.25Å; C303-M315 HydrophobicContact CB-SD 3.79Å; C303-P316 HydrophobicContact CB-CG 4.23Å
304Y79.3Confident71.1Confident101 Ų10152.4 Ų52.440%0.39628%0.284SS..Hα-helixtrans-64.5-40.2175.7-179.3-104.2000112.5V300 A301 F302 F307 K308V300-Y304 VanDerWaalsContact O-CB 3.28Å; V300-Y304 WeakPolarHBondContact O-CB 3.29Å; V300-Y304 PolarHBondContact O-N 2.93Å; A301-Y304 PolarHBondContact O-N 3.23Å; F302-Y304 VanDerWaalsContact C-N 3.32Å; F302-Y304 PolarHBondContact O-N 3.43Å; Y304-F307 WeakPolarHBondContact O-CB 3.13Å; Y304-F307 PolarHBondContact O-N 2.83Å; Y304-K308 HydrophobicContact CD1-CD 4.29Å; Y304-K308 HydrophobicContact CE1-CD 3.64Å; Y304-K308 VanDerWaalsContact CE1-CE 3.47Å; Y304-K308 HydrophobicContact CE1-CG 4.21Å; Y304-K308 PolarHBondContact O-N 2.97Å; Y304-K308 WeakPolarHBondContact OH-CE 3.45Å; Y304-K308 PolarHBondContact OH-NZ 3.2Å
305E80.9Confident72.1Confident74 Ų7447.1 Ų47.135%0.34626%0.26SS..Hα-helixtrans-66.5-39.9174.8-67.7-71.2-17600111.7L150 A301 F302 F307 K308 A309L150-E305 HydrophobicContact CD1-CB 3.98Å; L150-E305 HydrophobicContact CD2-CB 3.69Å; L150-E305 HydrophobicContact CD2-CG 4.16Å; A301-E305 VanDerWaalsContact O-CG 3.26Å; A301-E305 WeakPolarHBondContact O-CG 3.35Å; A301-E305 PolarHBondContact O-N 3.15Å; F302-E305 PolarHBondContact O-N 3.47Å; E305-F307 VanDerWaalsContact C-N 3.29Å; E305-F307 PolarHBondContact O-N 2.83Å; E305-K308 PolarHBondContact O-N 2.75Å; E305-A309 VanDerWaalsContact O-CB 3.28Å; E305-A309 WeakPolarHBondContact O-CB 3.33Å; E305-A309 PolarHBondContact O-N 3.44Å
306L74.5Confident72.6Confident0 Ų047.7 Ų47.70%026%0.262CS..Hα-helixtrans-62-38.2172.1-73.4179.3000112.2V147 L150 T176 Y180 F302 C303 G310 V311 I312V147-L306 HydrophobicContact CG2-CD2 4.07Å; L150-L306 HydrophobicContact CD1-CD2 3.71Å; L150-L306 HydrophobicContact CD1-CG 4.17Å; T176-L306 HydrophobicContact CG2-CD1 3.93Å; Y180-L306 HydrophobicContact CD2-CD1 4.4Å; F302-L306 HydrophobicContact CD1-CD1 4.12Å; F302-L306 HydrophobicContact CE1-CD1 3.46Å; F302-L306 VanDerWaalsContact CE1-CD1 3.46Å; F302-L306 HydrophobicContact CE1-CG 4.41Å; F302-L306 HydrophobicContact CE2-CD1 4.04Å; F302-L306 HydrophobicContact CE2-CG 4.28Å; F302-L306 HydrophobicContact CZ-CD1 3.43Å; F302-L306 VanDerWaalsContact CZ-CD1 3.43Å; F302-L306 HydrophobicContact CZ-CG 4.16Å; F302-L306 PolarHBondContact O-N 2.91Å; C303-L306 PolarHBondContact O-N 2.98Å; L306-G310 PolarHBondContact O-N 3.5Å; L306-V311 HydrophobicContact CB-CB 4.32Å; L306-V311 HydrophobicContact CD2-CB 3.98Å; L306-V311 HydrophobicContact CD2-CG1 4.01Å; L306-V311 HydrophobicContact CD2-CG2 4.14Å; L306-V311 WeakPolarHBondContact O-CB 3.38Å; L306-V311 PolarHBondContact O-N 3.33Å; L306-I312 HydrophobicContact CB-CD1 4.04Å; L306-I312 HydrophobicContact CB-CG1 3.95Å; L306-I312 HydrophobicContact CB-CG2 4.24Å; L306-I312 HydrophobicContact CD1-CG2 4.36Å; L306-I312 PolarHBondContact O-N 2.93Å
307F73.6Confident72.3Confident89 Ų8951 Ų5139%0.3928%0.284SS..Hα-helixtrans-67-47176.7172.4-104.5000110.8C303 Y304 E305 A309 G310 I312 A313C303-F307 WeakPolarHBondContact O-CB 3.28Å; C303-F307 PolarHBondContact O-N 2.75Å; Y304-F307 WeakPolarHBondContact O-CB 3.13Å; Y304-F307 PolarHBondContact O-N 2.83Å; E305-F307 VanDerWaalsContact C-N 3.29Å; E305-F307 PolarHBondContact O-N 2.83Å; F307-A309 VanDerWaalsContact C-N 3.32Å; F307-A309 PolarHBondContact O-N 3Å; F307-G310 WeakPolarHBondContact O-CA 3.19Å; F307-G310 PolarHBondContact O-N 3.29Å; F307-I312 HydrophobicContact CB-CD1 4.19Å; F307-I312 HydrophobicContact CB-CG1 3.82Å; F307-A313 WeakPolarHBondContact CE2-O 3.32Å
308K71.5Confident71.1Confident131 Ų13153.1 Ų53.157%0.5729%0.29SS*.Hα-helixtrans-59.5-40.2174.1-94.9-173.9168172.90113Y304 E305 G310Y304-K308 HydrophobicContact CD1-CD 4.29Å; Y304-K308 HydrophobicContact CE1-CD 3.64Å; Y304-K308 VanDerWaalsContact CE1-CE 3.47Å; Y304-K308 HydrophobicContact CE1-CG 4.21Å; Y304-K308 PolarHBondContact O-N 2.97Å; Y304-K308 WeakPolarHBondContact OH-CE 3.45Å; Y304-K308 PolarHBondContact OH-NZ 3.2Å; E305-K308 PolarHBondContact O-N 2.75Å; K308-G310 PolarHBondContact O-N 2.84Å
309A70.2Confident70.9Confident48 Ų4855 Ų5540%0.39730%0.296SS..THydrogen-bonded Turntrans-70.6-6.9174.900000112.9V146 E305 F307 V311V146-A309 HydrophobicContact CG1-CB 3.97Å; E305-A309 VanDerWaalsContact O-CB 3.28Å; E305-A309 WeakPolarHBondContact O-CB 3.33Å; E305-A309 PolarHBondContact O-N 3.44Å; F307-A309 VanDerWaalsContact C-N 3.32Å; F307-A309 PolarHBondContact O-N 3Å; A309-V311 VanDerWaalsContact C-N 3.27Å; A309-V311 HydrophobicContact CB-CG2 3.95Å; A309-V311 PolarHBondContact O-N 3.41Å
310G66.7Low70.4Confident27 Ų2757.8 Ų57.828%0.27831%0.312SS..THydrogen-bonded Turntrans67.228.2-178.100000113.3K135 L306 F307 K308K135-G310 PolarHBondContact NZ-O 2.89Å; L306-G310 PolarHBondContact O-N 3.5Å; F307-G310 WeakPolarHBondContact O-CA 3.19Å; F307-G310 PolarHBondContact O-N 3.29Å; K308-G310 PolarHBondContact O-N 2.84Å
311V68.7Low69.7Low24 Ų2458.8 Ų58.815%0.14532%0.315CS..SBendtrans-83.5-41.7174.4-179.30000110.5A141 V147 Y180 L306 A309A141-V311 HydrophobicContact CB-CG1 3.97Å; V147-V311 HydrophobicContact CG2-CG1 3.9Å; V147-V311 HydrophobicContact CG2-CG2 3.84Å; Y180-V311 HydrophobicContact CD1-CG1 4.2Å; Y180-V311 HydrophobicContact CE1-CG1 3.95Å; L306-V311 HydrophobicContact CB-CB 4.32Å; L306-V311 HydrophobicContact CD2-CB 3.98Å; L306-V311 HydrophobicContact CD2-CG1 4.01Å; L306-V311 HydrophobicContact CD2-CG2 4.14Å; L306-V311 WeakPolarHBondContact O-CB 3.38Å; L306-V311 PolarHBondContact O-N 3.33Å; A309-V311 VanDerWaalsContact C-N 3.27Å; A309-V311 HydrophobicContact CB-CG2 3.95Å; A309-V311 PolarHBondContact O-N 3.41Å
312I67.1Low68.9Low14 Ų1460.4 Ų60.47%0.07232%0.318CS..SBendtrans-111146172.966.8177.1000110.3T176 Y180 C303 L306 F307 H314T176-I312 HydrophobicContact CG2-CG2 4.36Å; Y180-I312 HydrophobicContact CD2-CG2 4.27Å; Y180-I312 HydrophobicContact CE2-CG2 3.46Å; Y180-I312 VanDerWaalsContact CE2-CG2 3.46Å; C303-I312 HydrophobicContact CB-CD1 4.2Å; C303-I312 VanDerWaalsContact O-CD1 3.26Å; C303-I312 WeakPolarHBondContact O-CD1 3.25Å; L306-I312 HydrophobicContact CB-CD1 4.04Å; L306-I312 HydrophobicContact CB-CG1 3.95Å; L306-I312 HydrophobicContact CB-CG2 4.24Å; L306-I312 HydrophobicContact CD1-CG2 4.36Å; L306-I312 PolarHBondContact O-N 2.93Å; F307-I312 HydrophobicContact CB-CD1 4.19Å; F307-I312 HydrophobicContact CB-CG1 3.82Å; I312-H314 WeakPolarHBondContact CD1-O 3.2Å
313A57.6Low68Low35 Ų3564.2 Ų64.229%0.28934%0.338SS..SBendtrans-80.5-31.4-17700000113.2F107 F307F107-A313 HydrophobicContact CB-CB 4.12Å; F107-A313 HydrophobicContact CD1-CB 3.94Å; F107-A313 HydrophobicContact CG-CB 3.97Å; F307-A313 WeakPolarHBondContact CE2-O 3.32Å
314H60.1Low67.1Low145 Ų14568.5 Ų68.567%0.67136%0.361SS*.SBendtrans-141.8151.2-177.1-55.1-53.4000109.8I312I312-H314 WeakPolarHBondContact CD1-O 3.2Å
315M65.1Low66.3Low59 Ų5966.1 Ų66.129%0.29136%0.358SS..PPolyproline II helixtrans-62.4140.9165.1-82.9-77.8-8100109.4Y173 V300 C303 I317Y173-M315 HydrophobicContact CE1-CE 4.43Å; V300-M315 HydrophobicContact CG1-CE 3.78Å; C303-M315 HydrophobicContact CB-SD 3.79Å; M315-I317 PolarHBondContact O-N 3.17Å; M315-I317 VanDerWaalsContact O-N 3.16Å
316P63.8Low65.2Low22 Ų2265.5 Ų65.514%0.14336%0.359CS..PPolyproline II helixtrans-56122.7171-20.431000109.5P172 Y173 C303P172-P316 HydrophobicContact CB-CB 3.57Å; Y173-P316 HydrophobicContact CD1-CB 4.2Å; Y173-P316 HydrophobicContact CD1-CG 3.86Å; Y173-P316 HydrophobicContact CE1-CB 4.06Å; Y173-P316 HydrophobicContact CE1-CG 3.94Å; Y173-P316 PolarHBondContact OH-O 3.16Å; C303-P316 HydrophobicContact CB-CG 4.23Å
317I57.9Low64.4Low150 Ų15071 Ų7177%0.76939%0.389SS*.PPolyproline II helixtrans-82.2132.1176-54.5173.3000107.2M315M315-I317 PolarHBondContact O-N 3.17Å; M315-I317 VanDerWaalsContact O-N 3.16Å
318V50.4Low63.5Low108 Ų10869.4 Ų69.466%0.65539%0.389SS*.  trans-92.70173175.20000109.9K169 Y173K169-V318 HydrophobicContact CB-CG1 3.69Å; K169-V318 HydrophobicContact CD-CG1 4.26Å; K169-V318 HydrophobicContact CG-CG1 3.59Å; K169-V318 VanDerWaalsContact O-CG2 3.27Å; K169-V318 WeakPolarHBondContact O-CG2 3.35Å; Y173-V318 HydrophobicContact CE2-CG2 3.58Å

Retrieved 318 of 318 residues in 177.8 ms (Link to these results)

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