A0A023JDV9_HUMAN Loading...

Creatine transporter SLC6A8 variant D

AlphaFold DB , UniProt , Accession A0A023JDV9, Species HUMAN (Homo sapiens, Human), Gene SLC6A8, Length 224 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
1M43.4Very low48.5Very low125 Ų125105.2 Ų105.262%0.61660%0.6SS**  0-80.60-75.2-158.8-76.300113.4A3 E4 Q5M1-A3 PolarHBondContact O-N 2.98Å; M1-E4 PolarHBondContact N-OE2 3.04Å; M1-E4 PolarHBondContact O-N 3.07Å; M1-Q5 PolarHBondContact O-N 3.33Å
2A30.5Very low49Very low28 Ų28101.2 Ų101.223%0.23158%0.578CS.*Hα-helixtrans-61.5-38.7-17800000114.1E4 I9 V12A2-E4 VanDerWaalsContact C-N 3.35Å; A2-I9 HydrophobicContact CB-CD1 3.62Å; A2-V12 HydrophobicContact CB-CB 4.45Å; A2-V12 HydrophobicContact CB-CG2 4.21Å
3A38.6Very low49.2Very low105 Ų10599 Ų9987%0.86858%0.58SS**Hα-helixtrans-75.2-19.3175.100000114.3M1M1-A3 PolarHBondContact O-N 2.98Å
4E46.2Very low49.5Very low165 Ų165102.9 Ų102.977%0.77159%0.59SS**Hα-helixtrans-93.4-21.4-178.6-72.2176.5138.800112.9M1 A2M1-E4 PolarHBondContact N-OE2 3.04Å; M1-E4 PolarHBondContact O-N 3.07Å; A2-E4 VanDerWaalsContact C-N 3.35Å
5Q50.9Low49.8Very low125 Ų125104.1 Ų104.158%0.58461%0.607SS**Hα-helixtrans-103.5-3.2-177.8-69.7177.8-30.400113.4M1 V7M1-Q5 PolarHBondContact O-N 3.33Å; Q5-V7 HydrophobicContact CB-CG2 3.83Å; Q5-V7 WeakPolarHBondContact O-CG2 3.17Å; Q5-V7 PolarHBondContact O-N 3.19Å
6G46.6Very low50.5Low78 Ų7899.9 Ų99.980%0.80459%0.593SS**THydrogen-bonded Turntrans63.123.7175.300000114.4
7V61.5Low50.9Low58 Ų5897.9 Ų97.935%0.35258%0.583SS.*  trans-110.1141.6-178.3-143.60000109.8Q5 I9 K11 V12Q5-V7 HydrophobicContact CB-CG2 3.83Å; Q5-V7 WeakPolarHBondContact O-CG2 3.17Å; Q5-V7 PolarHBondContact O-N 3.19Å; V7-I9 PolarHBondContact O-N 3.32Å; V7-K11 HydrophobicContact CG1-CB 3.85Å; V7-K11 HydrophobicContact CG1-CD 3.81Å; V7-K11 HydrophobicContact CG1-CG 4.28Å; V7-V12 HydrophobicContact CB-CG2 4.35Å
8H49.5Very low51.1Low137 Ų13794.7 Ų94.763%0.63457%0.573SS**  trans-54.2137178-163.5-102.1000110.8S10 K11H8-S10 PolarHBondContact ND1-OG 2.97Å; H8-S10 PolarHBondContact O-N 2.93Å; H8-K11 PolarHBondContact O-N 3.32Å
9I56.4Low51.6Low117 Ų11796.2 Ų96.260%0.658%0.577SS**Hα-helixtrans-51.3-31.1-172.8-166.175.8000112.8A2 V7 K11 V12 A13A2-I9 HydrophobicContact CB-CD1 3.62Å; V7-I9 PolarHBondContact O-N 3.32Å; I9-K11 VanDerWaalsContact C-N 3.3Å; I9-K11 PolarHBondContact O-N 3.01Å; I9-V12 PolarHBondContact O-N 2.83Å; I9-A13 VanDerWaalsContact O-CB 3.3Å; I9-A13 WeakPolarHBondContact O-CB 3.38Å; I9-A13 PolarHBondContact O-N 3.46Å
10S57.1Low52Low69 Ų6993.2 Ų93.248%0.48356%0.563SS.*Hα-helixtrans-66.5-22.9177.561.70000114.6H8H8-S10 PolarHBondContact ND1-OG 2.97Å; H8-S10 PolarHBondContact O-N 2.93Å
11K53.2Low52.5Low150 Ų15093.7 Ų93.765%0.65256%0.558SS**Hα-helixtrans-85.9-22175.2-75.5-155.7173.4-1700113.7V7 H8 I9V7-K11 HydrophobicContact CG1-CB 3.85Å; V7-K11 HydrophobicContact CG1-CD 3.81Å; V7-K11 HydrophobicContact CG1-CG 4.28Å; H8-K11 PolarHBondContact O-N 3.32Å; I9-K11 VanDerWaalsContact C-N 3.3Å; I9-K11 PolarHBondContact O-N 3.01Å
12V53.7Low53.4Low57 Ų5792.9 Ų92.935%0.34556%0.555SS.*Hα-helixtrans-91-20.6177.2-172.40000110.8A2 V7 I9A2-V12 HydrophobicContact CB-CB 4.45Å; A2-V12 HydrophobicContact CB-CG2 4.21Å; V7-V12 HydrophobicContact CB-CG2 4.35Å; I9-V12 PolarHBondContact O-N 2.83Å
13A52.4Low54.9Low73 Ų7393.7 Ų93.760%0.60356%0.562SS**  trans-90.610.3178.600000114.2I9 S15I9-A13 VanDerWaalsContact O-CB 3.3Å; I9-A13 WeakPolarHBondContact O-CB 3.38Å; I9-A13 PolarHBondContact O-N 3.46Å; A13-S15 PolarHBondContact O-N 3.46Å
14E52.5Low56Low154 Ų15493.6 Ų93.672%0.7254%0.54SS*.  trans-67102.1169.9-83.4-177.5172.100109.2G16E14-G16 PolarHBondContact O-N 3.25Å; E14-G16 VanDerWaalsContact O-N 3.15Å
15S54.8Low56.9Low121 Ų12187.7 Ų87.785%0.84652%0.516SS*.  trans-58.5112.6163.749.30000108.2A13A13-S15 PolarHBondContact O-N 3.46Å
16G60.8Low57.3Low36 Ų3690.4 Ų90.437%0.37152%0.521SS..SBendtrans-178.9-170.9-173.500000112.9E14 G18 L19E14-G16 PolarHBondContact O-N 3.25Å; E14-G16 VanDerWaalsContact O-N 3.15Å; G16-G18 PolarHBondContact O-N 3.49Å; G16-L19 WeakPolarHBondContact O-CB 3.2Å; G16-L19 PolarHBondContact O-N 2.92Å
17P56.7Low58.1Low66 Ų6688.9 Ų88.943%0.42950%0.5SS..Hα-helixtrans-57.7-22.1-176.618.9-30.1000113.7L19 A20 F21P17-L19 PolarHBondContact O-N 3.37Å; P17-A20 CarbonylContact O-C 3.5Å; P17-A20 WeakPolarHBondContact O-CA 3.04Å; P17-A20 WeakPolarHBondContact O-CB 3.16Å; P17-A20 PolarHBondContact O-N 3.34Å; P17-F21 HydrophobicContact CB-CD2 4.15Å; P17-F21 HydrophobicContact CB-CE2 3.95Å; P17-F21 WeakPolarHBondContact O-CD2 3.13Å; P17-F21 PolarHBondContact O-N 2.93Å
18G55.1Low58.1Low40 Ų4086.2 Ų86.241%0.41248%0.484SS..Hα-helixtrans-58-30.6173.400000114G16 F21 I22G16-G18 PolarHBondContact O-N 3.49Å; G18-F21 PolarHBondContact O-N 3.43Å; G18-I22 WeakPolarHBondContact O-CB 3.19Å; G18-I22 WeakPolarHBondContact O-CG1 3.42Å; G18-I22 PolarHBondContact O-N 2.83Å
19L59.7Low59.1Low124 Ų12484.4 Ų84.465%0.64948%0.483SS*.Hα-helixtrans-69.3-39.2173.4-162.376.5000110.9G16 P17 F21 A23 Y24G16-L19 WeakPolarHBondContact O-CB 3.2Å; G16-L19 PolarHBondContact O-N 2.92Å; P17-L19 PolarHBondContact O-N 3.37Å; L19-F21 VanDerWaalsContact C-N 3.34Å; L19-A23 HydrophobicContact CD1-CB 4.09Å; L19-A23 HydrophobicContact CG-CB 4.13Å; L19-A23 WeakPolarHBondContact O-CA 3.32Å; L19-A23 WeakPolarHBondContact O-CB 3Å; L19-A23 PolarHBondContact O-N 3.19Å; L19-Y24 PolarHBondContact O-N 3.06Å
20A61.3Low59.9Low36 Ų3686 Ų8630%0.29849%0.492SS..Hα-helixtrans-68.2-30.9174.800000112.5P17 Y24 P25 F41P17-A20 CarbonylContact O-C 3.5Å; P17-A20 WeakPolarHBondContact O-CA 3.04Å; P17-A20 WeakPolarHBondContact O-CB 3.16Å; P17-A20 PolarHBondContact O-N 3.34Å; A20-Y24 WeakPolarHBondContact O-CB 3.16Å; A20-P25 WeakPolarHBondContact O-CD 3.31Å; A20-F41 HydrophobicContact CB-CZ 4.34Å
21F62.1Low60.5Low104 Ų10487 Ų8746%0.45649%0.49SS..Hα-helixtrans-88.9-12.4179.1-69.5-67.3000114.8P17 G18 L19 P25 F42 L45P17-F21 HydrophobicContact CB-CD2 4.15Å; P17-F21 HydrophobicContact CB-CE2 3.95Å; P17-F21 WeakPolarHBondContact O-CD2 3.13Å; P17-F21 PolarHBondContact O-N 2.93Å; G18-F21 PolarHBondContact O-N 3.43Å; L19-F21 VanDerWaalsContact C-N 3.34Å; F21-P25 WeakPolarHBondContact O-CG 3.5Å; F21-F42 HydrophobicContact CD1-CE1 4.45Å; F21-L45 HydrophobicContact CE1-CD1 3.65Å; F21-L45 HydrophobicContact CZ-CD1 3.97Å
22I62.4Low61Low107 Ų10785 Ų8555%0.54949%0.492SS..Hα-helixtrans-118.1-46.4-178.9-61.1173.2000112.4G18G18-I22 WeakPolarHBondContact O-CB 3.19Å; G18-I22 WeakPolarHBondContact O-CG1 3.42Å; G18-I22 PolarHBondContact O-N 2.83Å
23A62.2Low62.2Low45 Ų4586.9 Ų86.937%0.37250%0.504SS..Hα-helixtrans-82.8-38.6-177.100000112.3L19 R26 A27L19-A23 HydrophobicContact CD1-CB 4.09Å; L19-A23 HydrophobicContact CG-CB 4.13Å; L19-A23 WeakPolarHBondContact O-CA 3.32Å; L19-A23 WeakPolarHBondContact O-CB 3Å; L19-A23 PolarHBondContact O-N 3.19Å; A23-R26 WeakPolarHBondContact O-CB 3.47Å; A23-R26 PolarHBondContact O-N 3.38Å; A23-A27 PolarHBondContact O-N 2.74Å
24Y62Low63.1Low104 Ų10484.4 Ų84.441%0.40848%0.483SS..Hα-helixtrans-64.7-44.2-178.4-157.7-93.6000113.7L19 A20 R26 A27 V28 F41L19-Y24 PolarHBondContact O-N 3.06Å; A20-Y24 WeakPolarHBondContact O-CB 3.16Å; Y24-R26 PolarHBondContact O-N 3.2Å; Y24-A27 PolarHBondContact O-N 3.1Å; Y24-A27 VanDerWaalsContact O-N 3.13Å; Y24-V28 HydrophobicContact CD1-CG2 3.55Å; Y24-V28 HydrophobicContact CE1-CG2 3.39Å; Y24-V28 HydrophobicContact CG-CG2 4.42Å; Y24-V28 WeakPolarHBondContact O-CB 3.32Å; Y24-V28 VanDerWaalsContact O-CG2 3.3Å; Y24-V28 WeakPolarHBondContact O-CG2 3.48Å; Y24-V28 PolarHBondContact O-N 2.96Å; Y24-F41 AromaticContact CD1-CD1 3.66Å; Y24-F41 HydrophobicContact CD1-CD1 3.66Å; Y24-F41 AromaticContact CD1-CD2 3.74Å; Y24-F41 HydrophobicContact CD1-CD2 3.74Å; Y24-F41 AromaticContact CD1-CE1 3.56Å; Y24-F41 HydrophobicContact CD1-CE1 3.56Å; Y24-F41 AromaticContact CD1-CE2 3.65Å; Y24-F41 HydrophobicContact CD1-CE2 3.65Å; Y24-F41 AromaticContact CD1-CG 3.73Å; Y24-F41 HydrophobicContact CD1-CG 3.73Å; Y24-F41 AromaticContact CD1-CZ 3.55Å; Y24-F41 HydrophobicContact CD1-CZ 3.55Å; Y24-F41 HydrophobicContact CD2-CE2 4.41Å; Y24-F41 HydrophobicContact CE1-CB 3.94Å; Y24-F41 AromaticContact CE1-CD1 3.84Å; Y24-F41 HydrophobicContact CE1-CD1 3.84Å; Y24-F41 AromaticContact CE1-CD2 3.22Å; Y24-F41 HydrophobicContact CE1-CD2 3.22Å; Y24-F41 HydrophobicContact CE1-CE1 4.08Å; Y24-F41 AromaticContact CE1-CE2 3.52Å; Y24-F41 HydrophobicContact CE1-CE2 3.52Å; Y24-F41 AromaticContact CE1-CG 3.38Å; Y24-F41 HydrophobicContact CE1-CG 3.38Å; Y24-F41 AromaticContact CE1-CZ 3.93Å; Y24-F41 HydrophobicContact CE1-CZ 3.93Å; Y24-F41 HydrophobicContact CE2-CE2 4.29Å; Y24-F41 HydrophobicContact CG-CE1 4.2Å; Y24-F41 HydrophobicContact CG-CE2 4.1Å; Y24-F41 AromaticContact CG-CZ 3.88Å; Y24-F41 HydrophobicContact CG-CZ 3.88Å; Y24-F41 AromaticContact CZ-CD2 3.7Å; Y24-F41 AromaticContact CZ-CE2 3.85Å
25P63.3Low64.3Low41 Ų4182 Ų8227%0.26648%0.481SS..Hα-helixtrans-59.4-36.5175-22.734.4000111.5A20 F21 V28 T29 F42A20-P25 WeakPolarHBondContact O-CD 3.31Å; F21-P25 WeakPolarHBondContact O-CG 3.5Å; P25-V28 PolarHBondContact O-N 3.4Å; P25-T29 VanDerWaalsContact O-CG2 3.31Å; P25-T29 WeakPolarHBondContact O-CG2 3.04Å; P25-T29 PolarHBondContact O-N 2.84Å; P25-T29 VanDerWaalsContact O-N 3.1Å; P25-T29 PolarHBondContact O-OG1 3.48Å; P25-F42 HydrophobicContact CG-CZ 4.25Å
26R60.9Low65.5Low182 Ų18280.5 Ų80.569%0.68746%0.463SS*.Hα-helixtrans-66.4-41.6176.9-130.5-175.7-174.4164.42.6112.2A23 Y24 T29A23-R26 WeakPolarHBondContact O-CB 3.47Å; A23-R26 PolarHBondContact O-N 3.38Å; Y24-R26 PolarHBondContact O-N 3.2Å; R26-T29 PolarHBondContact O-OG1 3.46Å
27A62.1Low66.1Low45 Ų4584.9 Ų84.937%0.37247%0.468SS..Hα-helixtrans-69.4-40.5175.900000112.3A23 Y24 T29 L30A23-A27 PolarHBondContact O-N 2.74Å; Y24-A27 PolarHBondContact O-N 3.1Å; Y24-A27 VanDerWaalsContact O-N 3.13Å; A27-T29 VanDerWaalsContact C-N 3.31Å; A27-T29 PolarHBondContact O-N 3.05Å; A27-L30 WeakPolarHBondContact O-CB 3.46Å; A27-L30 PolarHBondContact O-N 2.84Å
28V62Low66.9Low3 Ų383 Ų832%0.01846%0.459CS..Hα-helixtrans-64.4-34.6178.8170.30000111.9Y24 P25 L30 M31 A34 W37 A38Y24-V28 HydrophobicContact CD1-CG2 3.55Å; Y24-V28 HydrophobicContact CE1-CG2 3.39Å; Y24-V28 HydrophobicContact CG-CG2 4.42Å; Y24-V28 WeakPolarHBondContact O-CB 3.32Å; Y24-V28 VanDerWaalsContact O-CG2 3.3Å; Y24-V28 WeakPolarHBondContact O-CG2 3.48Å; Y24-V28 PolarHBondContact O-N 2.96Å; P25-V28 PolarHBondContact O-N 3.4Å; V28-L30 PolarHBondContact O-N 2.96Å; V28-M31 HydrophobicContact CG2-CE 4.24Å; V28-M31 PolarHBondContact O-N 3.23Å; V28-A34 WeakPolarHBondContact CG1-O 3.36Å; V28-A34 WeakPolarHBondContact O-CB 3.37Å; V28-W37 HydrophobicContact CG1-CB 3.78Å; V28-A38 HydrophobicContact CG1-CB 3.94Å
29T69.8Low68.1Low99 Ų9984 Ų8461%0.60746%0.463SS*.THydrogen-bonded Turntrans-65.2-15.6174.254.40000114.4P25 R26 A27P25-T29 VanDerWaalsContact O-CG2 3.31Å; P25-T29 WeakPolarHBondContact O-CG2 3.04Å; P25-T29 PolarHBondContact O-N 2.84Å; P25-T29 VanDerWaalsContact O-N 3.1Å; P25-T29 PolarHBondContact O-OG1 3.48Å; R26-T29 PolarHBondContact O-OG1 3.46Å; A27-T29 VanDerWaalsContact C-N 3.31Å; A27-T29 PolarHBondContact O-N 3.05Å
30L73.4Confident68.9Low151 Ų15182.7 Ų82.779%0.79146%0.456SS*.THydrogen-bonded Turntrans-92.9-8.7178.5-61.4169.5000113A27 V28A27-L30 WeakPolarHBondContact O-CB 3.46Å; A27-L30 PolarHBondContact O-N 2.84Å; V28-L30 PolarHBondContact O-N 2.96Å
31M70Confident69.4Low89 Ų8982.2 Ų82.244%0.43845%0.447SS..SBendtrans-93.7146.3179.2-69.7-168.1-97.700111.9V28 V33 A34V28-M31 HydrophobicContact CG2-CE 4.24Å; V28-M31 PolarHBondContact O-N 3.23Å; M31-V33 PolarHBondContact O-N 2.89Å; M31-A34 PolarHBondContact O-N 3.38Å
32P64.3Low69.8Low108 Ų10881.6 Ų81.670%0.70145%0.445SS*.THydrogen-bonded Turntrans-61.8138.9173.426.2-32.7000110.1W37P32-W37 PolarHBondContact O-NE1 3.42Å; P32-W37 VanDerWaalsContact O-NE1 3.08Å
33V79.1Confident70.5Confident96 Ų9682 Ų8258%0.58244%0.443SS*.THydrogen-bonded Turntrans66.132.8-174.1-151.20000113.7M31 P35 L36 W37M31-V33 PolarHBondContact O-N 2.89Å; V33-P35 VanDerWaalsContact O-N 3.13Å; V33-L36 HydrophobicContact CG1-CB 3.72Å; V33-L36 PolarHBondContact O-N 2.86Å; V33-W37 PolarHBondContact O-N 3.46Å
34A71.1Confident71.1Confident21 Ų2184.6 Ų84.617%0.17445%0.448CS..Hα-helixtrans-39.1-44.9175.300000117V28 M31 L36 W37 A38V28-A34 WeakPolarHBondContact CG1-O 3.36Å; V28-A34 WeakPolarHBondContact O-CB 3.37Å; M31-A34 PolarHBondContact O-N 3.38Å; A34-L36 VanDerWaalsContact C-N 3.29Å; A34-L36 PolarHBondContact O-N 3.46Å; A34-W37 PolarHBondContact O-N 3.41Å; A34-A38 WeakPolarHBondContact O-CB 3.37Å; A34-A38 PolarHBondContact O-N 2.84Å
35P76.8Confident71.3Confident103 Ų10381.3 Ų81.367%0.66944%0.437SS*.Hα-helixtrans-65.2-29-178.922.5-33000113.7V33 A39V33-P35 VanDerWaalsContact O-N 3.13Å; P35-A39 WeakPolarHBondContact O-CB 3.34Å; P35-A39 PolarHBondContact O-N 3.36Å
36L81.1Confident71.5Confident90 Ų9083.9 Ų83.947%0.47145%0.449SS..Hα-helixtrans-74.3-44.4177.1-176.7141.3000111.1V33 A34 A39 L40V33-L36 HydrophobicContact CG1-CB 3.72Å; V33-L36 PolarHBondContact O-N 2.86Å; A34-L36 VanDerWaalsContact C-N 3.29Å; A34-L36 PolarHBondContact O-N 3.46Å; L36-A39 PolarHBondContact O-N 3.41Å; L36-L40 HydrophobicContact CD2-CD1 3.69Å; L36-L40 HydrophobicContact CG-CD1 4.41Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 3.06Å
37W72.7Confident71.8Confident128 Ų12879.9 Ų79.949%0.48544%0.44SS..Hα-helixtrans-64.5-39.8176.1-61.4113000112.1V28 P32 V33 A34 F41V28-W37 HydrophobicContact CG1-CB 3.78Å; P32-W37 PolarHBondContact O-NE1 3.42Å; P32-W37 VanDerWaalsContact O-NE1 3.08Å; V33-W37 PolarHBondContact O-N 3.46Å; A34-W37 PolarHBondContact O-N 3.41Å; W37-F41 VanDerWaalsContact O-CB 3.29Å; W37-F41 WeakPolarHBondContact O-CB 3.43Å; W37-F41 PolarHBondContact O-N 3.44Å
38A73.6Confident71.9Confident28 Ų2881.3 Ų81.323%0.23144%0.441CS..Hα-helixtrans-64.6-46.5173.900000111V28 A34 L40 F41 F42V28-A38 HydrophobicContact CG1-CB 3.94Å; A34-A38 WeakPolarHBondContact O-CB 3.37Å; A34-A38 PolarHBondContact O-N 2.84Å; A38-L40 PolarHBondContact O-N 3.42Å; A38-F41 PolarHBondContact O-N 3.08Å; A38-F42 HydrophobicContact CB-CD2 4.45Å; A38-F42 WeakPolarHBondContact O-CB 3.29Å; A38-F42 WeakPolarHBondContact O-CD2 3.48Å; A38-F42 PolarHBondContact O-N 3Å
39A79.8Confident71.9Confident60 Ų6083.7 Ų83.750%0.49647%0.466SS..Hα-helixtrans-60-44.8178.100000112.1P35 L36 F43P35-A39 WeakPolarHBondContact O-CB 3.34Å; P35-A39 PolarHBondContact O-N 3.36Å; L36-A39 PolarHBondContact O-N 3.41Å; A39-F43 WeakPolarHBondContact O-CB 3.39Å; A39-F43 PolarHBondContact O-N 3.04Å
40L76.9Confident71.3Confident97 Ų9785 Ų8551%0.50847%0.469SS..Hα-helixtrans-65.7-41.4177.5-71.8174.3000112.7L36 A38 F43 M44L36-L40 HydrophobicContact CD2-CD1 3.69Å; L36-L40 HydrophobicContact CG-CD1 4.41Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 3.06Å; A38-L40 PolarHBondContact O-N 3.42Å; L40-F43 PolarHBondContact O-N 2.94Å; L40-M44 WeakPolarHBondContact O-CB 3.5Å; L40-M44 PolarHBondContact O-N 2.88Å
41F71.2Confident70.6Confident25 Ų2584.7 Ų84.711%0.1147%0.468CS..Hα-helixtrans-65.1-48178.3178.4-104.5000112.1A20 Y24 W37 A38 F43 M44 L45A20-F41 HydrophobicContact CB-CZ 4.34Å; Y24-F41 AromaticContact CD1-CD1 3.66Å; Y24-F41 HydrophobicContact CD1-CD1 3.66Å; Y24-F41 AromaticContact CD1-CD2 3.74Å; Y24-F41 HydrophobicContact CD1-CD2 3.74Å; Y24-F41 AromaticContact CD1-CE1 3.56Å; Y24-F41 HydrophobicContact CD1-CE1 3.56Å; Y24-F41 AromaticContact CD1-CE2 3.65Å; Y24-F41 HydrophobicContact CD1-CE2 3.65Å; Y24-F41 AromaticContact CD1-CG 3.73Å; Y24-F41 HydrophobicContact CD1-CG 3.73Å; Y24-F41 AromaticContact CD1-CZ 3.55Å; Y24-F41 HydrophobicContact CD1-CZ 3.55Å; Y24-F41 HydrophobicContact CD2-CE2 4.41Å; Y24-F41 HydrophobicContact CE1-CB 3.94Å; Y24-F41 AromaticContact CE1-CD1 3.84Å; Y24-F41 HydrophobicContact CE1-CD1 3.84Å; Y24-F41 AromaticContact CE1-CD2 3.22Å; Y24-F41 HydrophobicContact CE1-CD2 3.22Å; Y24-F41 HydrophobicContact CE1-CE1 4.08Å; Y24-F41 AromaticContact CE1-CE2 3.52Å; Y24-F41 HydrophobicContact CE1-CE2 3.52Å; Y24-F41 AromaticContact CE1-CG 3.38Å; Y24-F41 HydrophobicContact CE1-CG 3.38Å; Y24-F41 AromaticContact CE1-CZ 3.93Å; Y24-F41 HydrophobicContact CE1-CZ 3.93Å; Y24-F41 HydrophobicContact CE2-CE2 4.29Å; Y24-F41 HydrophobicContact CG-CE1 4.2Å; Y24-F41 HydrophobicContact CG-CE2 4.1Å; Y24-F41 AromaticContact CG-CZ 3.88Å; Y24-F41 HydrophobicContact CG-CZ 3.88Å; Y24-F41 AromaticContact CZ-CD2 3.7Å; Y24-F41 AromaticContact CZ-CE2 3.85Å; W37-F41 VanDerWaalsContact O-CB 3.29Å; W37-F41 WeakPolarHBondContact O-CB 3.43Å; W37-F41 PolarHBondContact O-N 3.44Å; A38-F41 PolarHBondContact O-N 3.08Å; F41-F43 VanDerWaalsContact C-N 3.35Å; F41-M44 HydrophobicContact CD2-CE 4.07Å; F41-M44 HydrophobicContact CE2-CE 4.19Å; F41-M44 WeakPolarHBondContact O-CB 3.26Å; F41-M44 PolarHBondContact O-N 3.25Å; F41-L45 HydrophobicContact CD1-CD1 3.91Å; F41-L45 HydrophobicContact CE1-CD1 3.42Å; F41-L45 VanDerWaalsContact CE1-CD1 3.42Å; F41-L45 HydrophobicContact CE1-CG 4.46Å; F41-L45 HydrophobicContact CE2-CD1 4.35Å; F41-L45 HydrophobicContact CZ-CD1 3.67Å; F41-L45 HydrophobicContact CZ-CG 4.45Å; F41-L45 WeakPolarHBondContact O-CG 3.09Å; F41-L45 PolarHBondContact O-N 3.39Å
42F71.5Confident70.3Confident92 Ų9283.6 Ų83.640%0.40447%0.469SS..Hα-helixtrans-70.6-31.5177-74.1-66.5000112.3F21 P25 A38 L45 L46F21-F42 HydrophobicContact CD1-CE1 4.45Å; P25-F42 HydrophobicContact CG-CZ 4.25Å; A38-F42 HydrophobicContact CB-CD2 4.45Å; A38-F42 WeakPolarHBondContact O-CB 3.29Å; A38-F42 WeakPolarHBondContact O-CD2 3.48Å; A38-F42 PolarHBondContact O-N 3Å; F42-L45 HydrophobicContact CD1-CD1 4.34Å; F42-L45 PolarHBondContact O-N 3.03Å; F42-L46 WeakPolarHBondContact O-CB 3.42Å; F42-L46 PolarHBondContact O-N 3.12Å
43F77Confident70.3Confident116 Ų11688.2 Ų88.251%0.50948%0.481SS..Hα-helixtrans-66.2-40.7172.8-176.5-107000112A39 L40 F41 L46 L47A39-F43 WeakPolarHBondContact O-CB 3.39Å; A39-F43 PolarHBondContact O-N 3.04Å; L40-F43 PolarHBondContact O-N 2.94Å; F41-F43 VanDerWaalsContact C-N 3.35Å; F43-L46 PolarHBondContact O-N 2.86Å; F43-L47 HydrophobicContact CD1-CD1 3.83Å; F43-L47 HydrophobicContact CD1-CG 4.45Å; F43-L47 HydrophobicContact CE1-CD1 3.43Å; F43-L47 VanDerWaalsContact CE1-CD1 3.43Å; F43-L47 HydrophobicContact CE1-CG 4.18Å; F43-L47 HydrophobicContact CE2-CG 4.49Å; F43-L47 HydrophobicContact CZ-CD1 3.85Å; F43-L47 HydrophobicContact CZ-CD2 4.37Å; F43-L47 HydrophobicContact CZ-CG 4.2Å; F43-L47 WeakPolarHBondContact O-CB 3.43Å; F43-L47 WeakPolarHBondContact O-CG 3.3Å; F43-L47 PolarHBondContact O-N 3.13Å
44M73.6Confident69.9Low98 Ų9884.9 Ų84.948%0.48347%0.466SS..Hα-helixtrans-60.1-49.1171.7179.5-166.474.200111.3L40 F41 L46 L47 L48L40-M44 WeakPolarHBondContact O-CB 3.5Å; L40-M44 PolarHBondContact O-N 2.88Å; F41-M44 HydrophobicContact CD2-CE 4.07Å; F41-M44 HydrophobicContact CE2-CE 4.19Å; F41-M44 WeakPolarHBondContact O-CB 3.26Å; F41-M44 PolarHBondContact O-N 3.25Å; M44-L46 VanDerWaalsContact C-N 3.3Å; M44-L46 PolarHBondContact O-N 3.41Å; M44-L47 PolarHBondContact O-N 3Å; M44-L48 WeakPolarHBondContact O-CB 3.21Å; M44-L48 PolarHBondContact O-N 3.01Å
45L67Low70.1Confident35 Ų3584.2 Ų84.218%0.18346%0.462CS..Hα-helixtrans-64-35.3177.8-69.4175.1000112.6F21 F41 F42 L48 G49F21-L45 HydrophobicContact CE1-CD1 3.65Å; F21-L45 HydrophobicContact CZ-CD1 3.97Å; F41-L45 HydrophobicContact CD1-CD1 3.91Å; F41-L45 HydrophobicContact CE1-CD1 3.42Å; F41-L45 VanDerWaalsContact CE1-CD1 3.42Å; F41-L45 HydrophobicContact CE1-CG 4.46Å; F41-L45 HydrophobicContact CE2-CD1 4.35Å; F41-L45 HydrophobicContact CZ-CD1 3.67Å; F41-L45 HydrophobicContact CZ-CG 4.45Å; F41-L45 WeakPolarHBondContact O-CG 3.09Å; F41-L45 PolarHBondContact O-N 3.39Å; F42-L45 HydrophobicContact CD1-CD1 4.34Å; F42-L45 PolarHBondContact O-N 3.03Å; L45-L48 PolarHBondContact O-N 3.15Å; L45-G49 PolarHBondContact O-N 2.95Å
46L66.8Low70.1Confident96 Ų9683 Ų8350%0.50345%0.448SS..Hα-helixtrans-72.7-39.3178.8-176.5146.1000111.6F42 F43 M44 L48 G49 L50F42-L46 WeakPolarHBondContact O-CB 3.42Å; F42-L46 PolarHBondContact O-N 3.12Å; F43-L46 PolarHBondContact O-N 2.86Å; M44-L46 VanDerWaalsContact C-N 3.3Å; M44-L46 PolarHBondContact O-N 3.41Å; L46-L48 VanDerWaalsContact C-N 3.29Å; L46-L48 PolarHBondContact O-N 3.48Å; L46-G49 PolarHBondContact O-N 3Å; L46-L50 HydrophobicContact CD2-CD1 3.28Å; L46-L50 HydrophobicContact CD2-CG 4.14Å; L46-L50 HydrophobicContact CG-CD1 3.91Å; L46-L50 HydrophobicContact CG-CG 4.26Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 3.25Å
47L67.8Low70Confident98 Ų9882.5 Ų82.551%0.51344%0.44SS..Hα-helixtrans-62.6-37.5170.3-75.4173.2000112F43 M44F43-L47 HydrophobicContact CD1-CD1 3.83Å; F43-L47 HydrophobicContact CD1-CG 4.45Å; F43-L47 HydrophobicContact CE1-CD1 3.43Å; F43-L47 VanDerWaalsContact CE1-CD1 3.43Å; F43-L47 HydrophobicContact CE1-CG 4.18Å; F43-L47 HydrophobicContact CE2-CG 4.49Å; F43-L47 HydrophobicContact CZ-CD1 3.85Å; F43-L47 HydrophobicContact CZ-CD2 4.37Å; F43-L47 HydrophobicContact CZ-CG 4.2Å; F43-L47 WeakPolarHBondContact O-CB 3.43Å; F43-L47 WeakPolarHBondContact O-CG 3.3Å; F43-L47 PolarHBondContact O-N 3.13Å; M44-L47 PolarHBondContact O-N 3Å
48L64.6Low70.2Confident75 Ų7581.2 Ų81.239%0.39345%0.446SS..Hα-helixtrans-75-32.3179.7-144.9108.9000113.1M44 L45 L46 F59M44-L48 WeakPolarHBondContact O-CB 3.21Å; M44-L48 PolarHBondContact O-N 3.01Å; L45-L48 PolarHBondContact O-N 3.15Å; L46-L48 VanDerWaalsContact C-N 3.29Å; L46-L48 PolarHBondContact O-N 3.48Å; L48-F59 HydrophobicContact CD2-CB 3.41Å; L48-F59 VanDerWaalsContact CD2-CB 3.41Å; L48-F59 HydrophobicContact CD2-CD2 3.22Å; L48-F59 HydrophobicContact CD2-CE2 4.21Å; L48-F59 HydrophobicContact CD2-CG 3.55Å
49G61.2Low70.4Confident52 Ų5282.6 Ų82.654%0.53645%0.447SS..Hα-helixtrans-84.6-24.8176.400000114.6L45 L46L45-G49 PolarHBondContact O-N 2.95Å; L46-G49 PolarHBondContact O-N 3Å
50L57.5Low70.3Confident127 Ų12782 Ų8267%0.66543%0.434SS*.Hα-helixtrans-78.1-19.9-178.9-83.9176.7000114.1L46L46-L50 HydrophobicContact CD2-CD1 3.28Å; L46-L50 HydrophobicContact CD2-CG 4.14Å; L46-L50 HydrophobicContact CG-CD1 3.91Å; L46-L50 HydrophobicContact CG-CG 4.26Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 3.25Å
51D59.3Low70.4Confident145 Ų14578 Ų7878%0.77541%0.414SS*.SBendtrans-79.1-20.9-171.8-162.147.6000114.2
52S62.9Low70.8Confident66 Ų6681.9 Ų81.946%0.46243%0.43SS..  trans-177.8166.6165.358.10000113.2G54 G55S52-G54 PolarHBondContact O-N 3.06Å; S52-G54 WeakPolarHBondContact OG-CA 3.49Å; S52-G54 PolarHBondContact OG-N 3.28Å; S52-G54 VanDerWaalsContact OG-N 3.12Å; S52-G55 PolarHBondContact O-N 3.31Å; S52-G55 PolarHBondContact OG-N 3.39Å
53Q65.7Low71.2Confident205 Ų20581.3 Ų81.396%0.95843%0.431SS*.THydrogen-bonded Turntrans-55-10.6162.1-70.1-155.7-1200113.6
54G70.3Confident71.5Confident25 Ų2578.9 Ų78.926%0.25842%0.419SS..THydrogen-bonded Turntrans-95.1-6.1176.800000115.5S52 M56 Y57 V58S52-G54 PolarHBondContact O-N 3.06Å; S52-G54 WeakPolarHBondContact OG-CA 3.49Å; S52-G54 PolarHBondContact OG-N 3.28Å; S52-G54 VanDerWaalsContact OG-N 3.12Å; G54-M56 VanDerWaalsContact C-N 3.29Å; G54-M56 PolarHBondContact O-N 3.35Å; G54-Y57 WeakPolarHBondContact O-CB 3.3Å; G54-Y57 PolarHBondContact O-N 2.85Å; G54-V58 PolarHBondContact O-N 2.86Å
55G75.2Confident71.8Confident8 Ų874.5 Ų74.58%0.08240%0.397CS..Hα-helixtrans-58.8-35.3-17100000114.4S52 Y57 V58 F59S52-G55 PolarHBondContact O-N 3.31Å; S52-G55 PolarHBondContact OG-N 3.39Å; G55-Y57 VanDerWaalsContact C-N 3.3Å; G55-Y57 PolarHBondContact O-N 3Å; G55-V58 PolarHBondContact O-N 3.4Å; G55-F59 WeakPolarHBondContact O-CB 3.4Å; G55-F59 PolarHBondContact O-N 3.2Å
56M77.1Confident72.2Confident78 Ų7874.4 Ų74.438%0.38440%0.4SS..Hα-helixtrans-65.4-31.8176.8-173.861.27400112.9G54 F59 Q60 Y136G54-M56 VanDerWaalsContact C-N 3.29Å; G54-M56 PolarHBondContact O-N 3.35Å; M56-F59 PolarHBondContact O-N 3.44Å; M56-F59 HydrophobicContact SD-CD1 3.91Å; M56-Q60 WeakPolarHBondContact O-CB 3.42Å; M56-Q60 PolarHBondContact O-N 3.43Å; M56-Y136 HydrophobicContact CG-CE2 3.71Å; M56-Y136 VanDerWaalsContact CG-OH 3.26Å; M56-Y136 WeakPolarHBondContact CG-OH 3.37Å
57Y77.6Confident72.3Confident78 Ų7872 Ų7231%0.30639%0.394SS..Hα-helixtrans-68.5-45.5175.9-63.5-88.5000110.6G54 G55 F59 Q60 L61 Y136 Y140 Y142G54-Y57 WeakPolarHBondContact O-CB 3.3Å; G54-Y57 PolarHBondContact O-N 2.85Å; G55-Y57 VanDerWaalsContact C-N 3.3Å; G55-Y57 PolarHBondContact O-N 3Å; Y57-F59 VanDerWaalsContact C-N 3.31Å; Y57-F59 PolarHBondContact O-N 3.49Å; Y57-Q60 PolarHBondContact O-N 2.84Å; Y57-L61 WeakPolarHBondContact O-CB 3.4Å; Y57-L61 PolarHBondContact O-N 3.38Å; Y57-Y136 AromaticContact CD1-CD1 3.83Å; Y57-Y136 HydrophobicContact CD1-CD1 3.83Å; Y57-Y136 HydrophobicContact CD1-CE1 4.36Å; Y57-Y136 HydrophobicContact CD1-CG 4.03Å; Y57-Y136 AromaticContact CE1-CD1 3.19Å; Y57-Y136 HydrophobicContact CE1-CD1 3.19Å; Y57-Y136 AromaticContact CE1-CE1 3.72Å; Y57-Y136 HydrophobicContact CE1-CE1 3.72Å; Y57-Y136 AromaticContact CE1-CG 3.83Å; Y57-Y136 HydrophobicContact CE1-CG 3.83Å; Y57-Y136 HydrophobicContact CE2-CE1 4.41Å; Y57-Y136 AromaticContact CZ-CD1 3.68Å; Y57-Y136 AromaticContact CZ-CE1 3.73Å; Y57-Y140 AromaticContact CD1-CD1 3.8Å; Y57-Y140 HydrophobicContact CD1-CD1 3.8Å; Y57-Y140 AromaticContact CD1-CE1 3.87Å; Y57-Y140 HydrophobicContact CD1-CE1 3.87Å; Y57-Y140 HydrophobicContact CD1-CG 4.45Å; Y57-Y140 AromaticContact CE1-CD1 3.59Å; Y57-Y140 HydrophobicContact CE1-CD1 3.59Å; Y57-Y140 HydrophobicContact CE1-CD2 4.32Å; Y57-Y140 AromaticContact CE1-CE1 3.97Å; Y57-Y140 HydrophobicContact CE1-CE1 3.97Å; Y57-Y140 AromaticContact CE1-CG 3.78Å; Y57-Y140 HydrophobicContact CE1-CG 3.78Å; Y57-Y142 VanDerWaalsContact C-OH 3.28Å; Y57-Y142 WeakPolarHBondContact CA-OH 3.48Å; Y57-Y142 WeakPolarHBondContact CB-OH 3.2Å; Y57-Y142 PolarHBondContact O-OH 2.95Å
58V77.6Confident72.5Confident102 Ų10269.7 Ų69.762%0.61839%0.386SS*.Hα-helixtrans-63.6-40.6176.3-177.30000110.8G54 G55 L61 F62G54-V58 PolarHBondContact O-N 2.86Å; G55-V58 PolarHBondContact O-N 3.4Å; V58-L61 PolarHBondContact O-N 2.91Å; V58-F62 WeakPolarHBondContact O-CB 3.41Å; V58-F62 PolarHBondContact O-N 3.31Å
59F77.6Confident72.8Confident56 Ų5667.6 Ų67.625%0.24638%0.383CS..Hα-helixtrans-58.6-51.6175.4-177.6-115.4000112.2L48 G55 M56 Y57 L61 F62 D63L48-F59 HydrophobicContact CD2-CB 3.41Å; L48-F59 VanDerWaalsContact CD2-CB 3.41Å; L48-F59 HydrophobicContact CD2-CD2 3.22Å; L48-F59 HydrophobicContact CD2-CE2 4.21Å; L48-F59 HydrophobicContact CD2-CG 3.55Å; G55-F59 WeakPolarHBondContact O-CB 3.4Å; G55-F59 PolarHBondContact O-N 3.2Å; M56-F59 PolarHBondContact O-N 3.44Å; M56-F59 HydrophobicContact SD-CD1 3.91Å; Y57-F59 VanDerWaalsContact C-N 3.31Å; Y57-F59 PolarHBondContact O-N 3.49Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 2.98Å; F59-F62 PolarHBondContact O-N 2.78Å; F59-D63 WeakPolarHBondContact O-CB 3.35Å; F59-D63 PolarHBondContact O-N 3.46Å
60Q77.9Confident73.7Confident48 Ų4866 Ų6622%0.22436%0.362CS..Hα-helixtrans-66.9-36.7-177.2-165.3-161.820.900111.4M56 Y57 Y64 L134 Y142M56-Q60 WeakPolarHBondContact O-CB 3.42Å; M56-Q60 PolarHBondContact O-N 3.43Å; Y57-Q60 PolarHBondContact O-N 2.84Å; Q60-Y64 WeakPolarHBondContact O-CB 3.41Å; Q60-Y64 PolarHBondContact O-N 3.09Å; Q60-L134 HydrophobicContact CG-CD1 4.36Å; Q60-L134 HydrophobicContact CG-CD2 4.26Å; Q60-Y142 PolarHBondContact OE1-OH 3.31Å
61L80.2Confident75.1Confident14 Ų1460.2 Ų60.27%0.07333%0.332CS..Hα-helixtrans-61.5-46.2173.3-169.378.4000110.8Y57 V58 F59 Y65 L134 Y142Y57-L61 WeakPolarHBondContact O-CB 3.4Å; Y57-L61 PolarHBondContact O-N 3.38Å; V58-L61 PolarHBondContact O-N 2.91Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 2.98Å; L61-Y65 HydrophobicContact CD1-CD2 3.7Å; L61-Y65 HydrophobicContact CD1-CE2 3.51Å; L61-Y65 HydrophobicContact CG-CD2 4.11Å; L61-Y65 HydrophobicContact CG-CE2 4.4Å; L61-Y65 WeakPolarHBondContact O-CB 3.11Å; L61-Y65 WeakPolarHBondContact O-CD2 3.48Å; L61-Y65 PolarHBondContact O-N 3.03Å; L61-L134 HydrophobicContact CD1-CD2 4.2Å; L61-Y142 HydrophobicContact CB-CE1 4.28Å; L61-Y142 HydrophobicContact CD1-CD1 4.03Å; L61-Y142 HydrophobicContact CD1-CE1 4.13Å; L61-Y142 HydrophobicContact CD1-CG 4.41Å
62F78.6Confident76.4Confident105 Ų10558.3 Ų58.346%0.46132%0.322SS..Hα-helixtrans-64.5-46.8176.8177.6-98.7000112.1V58 F59 Y64 S66 A67V58-F62 WeakPolarHBondContact O-CB 3.41Å; V58-F62 PolarHBondContact O-N 3.31Å; F59-F62 PolarHBondContact O-N 2.78Å; F62-Y64 PolarHBondContact O-N 2.97Å; F62-S66 WeakPolarHBondContact CE2-OG 3.36Å; F62-S66 WeakPolarHBondContact O-CA 3.33Å; F62-S66 WeakPolarHBondContact O-CB 3.07Å; F62-S66 PolarHBondContact O-N 2.79Å; F62-A67 PolarHBondContact O-N 2.81Å
63D80.2Confident77.6Confident80 Ų8056.8 Ų56.843%0.42831%0.308SS..Iπ-helixtrans-60.3-46.3179-170.154.7000110.7F59 A67 S68F59-D63 WeakPolarHBondContact O-CB 3.35Å; F59-D63 PolarHBondContact O-N 3.46Å; D63-A67 CarbonylContact O-C 3.59Å; D63-A67 PolarHBondContact O-N 3.22Å; D63-S68 WeakPolarHBondContact O-CB 3.49Å; D63-S68 PolarHBondContact O-N 3.46Å
64Y82.1Confident78.7Confident65 Ų6549.7 Ų49.726%0.25527%0.272SS..Iπ-helixtrans-69.6-42.6-179.1-171.5-94.2000113.9Q60 F62 S68 E132 L134Q60-Y64 WeakPolarHBondContact O-CB 3.41Å; Q60-Y64 PolarHBondContact O-N 3.09Å; F62-Y64 PolarHBondContact O-N 2.97Å; Y64-S68 WeakPolarHBondContact O-CB 3.38Å; Y64-E132 PolarHBondContact OH-O 3.06Å; Y64-L134 HydrophobicContact CD1-CB 4.27Å; Y64-L134 HydrophobicContact CD1-CD1 4.24Å; Y64-L134 HydrophobicContact CD1-CD2 4.48Å; Y64-L134 HydrophobicContact CD2-CD1 3.68Å; Y64-L134 HydrophobicContact CE1-CB 4.47Å; Y64-L134 HydrophobicContact CE2-CD1 4.18Å; Y64-L134 HydrophobicContact CG-CD1 3.69Å; Y64-L134 HydrophobicContact CG-CD2 4.27Å; Y64-L134 HydrophobicContact CG-CG 4.39Å
65Y81.2Confident79.6Confident6 Ų651.2 Ų51.22%0.02427%0.273CS..Iπ-helixtrans-94.8-27.2-175.5-73.5-88.7000114.3L61 T71 Y131 L134 G150 W151 A154L61-Y65 HydrophobicContact CD1-CD2 3.7Å; L61-Y65 HydrophobicContact CD1-CE2 3.51Å; L61-Y65 HydrophobicContact CG-CD2 4.11Å; L61-Y65 HydrophobicContact CG-CE2 4.4Å; L61-Y65 WeakPolarHBondContact O-CB 3.11Å; L61-Y65 WeakPolarHBondContact O-CD2 3.48Å; L61-Y65 PolarHBondContact O-N 3.03Å; Y65-T71 WeakPolarHBondContact O-CG2 3.18Å; Y65-Y131 HydrophobicContact CE1-CE2 4.36Å; Y65-Y131 PolarHBondContact OH-OH 3.19Å; Y65-L134 HydrophobicContact CE2-CB 4.35Å; Y65-L134 HydrophobicContact CE2-CD2 4.36Å; Y65-G150 VanDerWaalsContact CB-O 3.29Å; Y65-G150 WeakPolarHBondContact CB-O 3.27Å; Y65-G150 VanDerWaalsContact CG-C 3.48Å; Y65-W151 AromaticContact CE1-CD1 3.73Å; Y65-W151 HydrophobicContact CE1-CD2 4.45Å; Y65-W151 HydrophobicContact CE1-CG 4.18Å; Y65-W151 AromaticContact CE1-NE1 3.75Å; Y65-A154 VanDerWaalsContact O-CB 3.29Å; Y65-A154 WeakPolarHBondContact O-CB 3.38Å
66S75.3Confident80.3Confident34 Ų3452.3 Ų52.324%0.23828%0.281CS..Iπ-helixtrans-96.9-44.3-178.3-169.20000112.6F62 T71F62-S66 WeakPolarHBondContact CE2-OG 3.36Å; F62-S66 WeakPolarHBondContact O-CA 3.33Å; F62-S66 WeakPolarHBondContact O-CB 3.07Å; F62-S66 PolarHBondContact O-N 2.79Å; S66-T71 PolarHBondContact O-OG1 2.98Å
67A68.6Low81Confident45 Ų4550.5 Ų50.537%0.37227%0.271SS..Iπ-helixtrans-108.3-9.8-169.800000114.3F62 D63 L72F62-A67 PolarHBondContact O-N 2.81Å; D63-A67 CarbonylContact O-C 3.59Å; D63-A67 PolarHBondContact O-N 3.22Å; A67-L72 WeakPolarHBondContact O-CD1 3.2Å
68S71.5Confident81.6Confident50 Ų5050 Ų5035%0.3527%0.269SS..SBendtrans-83.8176-179.6-161.60000113D63 Y64 T70 T71D63-S68 WeakPolarHBondContact O-CB 3.49Å; D63-S68 PolarHBondContact O-N 3.46Å; Y64-S68 WeakPolarHBondContact O-CB 3.38Å; S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 2.94Å; S68-T71 PolarHBondContact O-N 3.45Å; S68-T71 PolarHBondContact O-OG1 3.45Å; S68-T71 VanDerWaalsContact O-OG1 3.11Å
69G71.5Confident82.2Confident31 Ų3150 Ų5032%0.3226%0.262SS..Hα-helixtrans-52.3-31.2-163.300000116.6L73G69-L73 WeakPolarHBondContact O-CB 3.37Å; G69-L73 VanDerWaalsContact O-CD1 3.29Å; G69-L73 WeakPolarHBondContact O-CD1 3.18Å; G69-L73 WeakPolarHBondContact O-CG 3.46Å; G69-L73 PolarHBondContact O-N 2.83Å
70T80.6Confident82.9Confident18 Ų1848.7 Ų48.711%0.1126%0.26CS..Hα-helixtrans-66.3-48.1-175.947.30000113.7S68 W74 F124 N127S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 2.94Å; T70-W74 PolarHBondContact O-N 3.05Å; T70-F124 WeakPolarHBondContact O-CD2 3.47Å; T70-F124 WeakPolarHBondContact O-CE2 3.35Å; T70-N127 HydrophobicContact CG2-CB 4.17Å; T70-N127 VanDerWaalsContact CG2-CG 3.42Å; T70-N127 WeakPolarHBondContact CG2-OD1 3.29Å
71T85.3Confident83.5Confident6 Ų647.6 Ų47.64%0.03726%0.256CS..Hα-helixtrans-69.1-41177.952.10000111.2Y65 S66 S68 W74 Q75 A154 M158Y65-T71 WeakPolarHBondContact O-CG2 3.18Å; S66-T71 PolarHBondContact O-OG1 2.98Å; S68-T71 PolarHBondContact O-N 3.45Å; S68-T71 PolarHBondContact O-OG1 3.45Å; S68-T71 VanDerWaalsContact O-OG1 3.11Å; T71-W74 PolarHBondContact O-N 3.24Å; T71-Q75 PolarHBondContact O-N 2.97Å; T71-A154 HydrophobicContact CG2-CB 3.85Å; T71-M158 HydrophobicContact CG2-CE 3.8Å; T71-M158 HydrophobicContact CG2-CG 4.47Å
72L86.6Confident84Confident105 Ų10550.2 Ų50.255%0.5527%0.272SS..Hα-helixtrans-63.7-42.9178-70.5178.1000112.3A67 W74 Q75 A76A67-L72 WeakPolarHBondContact O-CD1 3.2Å; L72-W74 VanDerWaalsContact C-N 3.33Å; L72-W74 PolarHBondContact O-N 2.87Å; L72-Q75 PolarHBondContact O-N 3.38Å; L72-A76 VanDerWaalsContact O-CB 3.29Å; L72-A76 WeakPolarHBondContact O-CB 3.46Å; L72-A76 PolarHBondContact O-N 2.8Å
73L88.8Confident84.5Confident34 Ų3447.9 Ų47.918%0.17827%0.267CS..Hα-helixtrans-65-38.2177.8-72.2168.2000111.7G69 F77 I123 F124G69-L73 WeakPolarHBondContact O-CB 3.37Å; G69-L73 VanDerWaalsContact O-CD1 3.29Å; G69-L73 WeakPolarHBondContact O-CD1 3.18Å; G69-L73 WeakPolarHBondContact O-CG 3.46Å; G69-L73 PolarHBondContact O-N 2.83Å; L73-F77 WeakPolarHBondContact O-CB 3.29Å; L73-F77 PolarHBondContact O-N 3.28Å; L73-I123 HydrophobicContact CD1-CB 4.02Å; L73-I123 HydrophobicContact CD1-CG2 3.48Å; L73-I123 VanDerWaalsContact CD1-CG2 3.48Å; L73-F124 HydrophobicContact CB-CB 4.4Å
74W88.9Confident85Confident55 Ų5544.6 Ų44.621%0.20825%0.251CS..Hα-helixtrans-64.1-44.2174.4179.6-99.8000112.3T70 T71 L72 F77 W78 F124 M158T70-W74 PolarHBondContact O-N 3.05Å; T71-W74 PolarHBondContact O-N 3.24Å; L72-W74 VanDerWaalsContact C-N 3.33Å; L72-W74 PolarHBondContact O-N 2.87Å; W74-F77 WeakPolarHBondContact O-CB 3.4Å; W74-F77 PolarHBondContact O-N 3.11Å; W74-W78 AromaticContact CD1-CD1 4Å; W74-W78 AromaticContact CE2-CD1 3.56Å; W74-W78 AromaticContact CE2-NE1 3.23Å; W74-W78 AromaticContact CH2-NE1 3.67Å; W74-W78 AromaticContact CZ2-CD1 3.9Å; W74-W78 AromaticContact CZ2-NE1 3.06Å; W74-W78 AromaticContact NE1-CD1 3.53Å; W74-W78 AromaticContact NE1-NE1 3.56Å; W74-W78 PolarHBondContact O-N 3.2Å; W74-F124 HydrophobicContact CB-CD2 4.3Å; W74-F124 HydrophobicContact CB-CE2 4.02Å; W74-F124 HydrophobicContact CE3-CE1 4.15Å; W74-F124 HydrophobicContact CE3-CE2 4.29Å; W74-F124 AromaticContact CE3-CZ 3.99Å; W74-F124 HydrophobicContact CE3-CZ 3.99Å; W74-F124 HydrophobicContact CZ3-CE1 4.45Å; W74-M158 HydrophobicContact CB-CE 4.48Å; W74-M158 HydrophobicContact CB-CG 4.21Å; W74-M158 HydrophobicContact CG-CB 4.26Å; W74-M158 HydrophobicContact CG-CG 3.89Å; W74-M158 PolarHBondContact NE1-O 2.89Å
75Q89.2Confident85.3Confident58 Ų5847.4 Ų47.427%0.27126%0.261SS..Hα-helixtrans-63.8-48.5176.3-178.862.434.800111.3T71 L72 F77 W78 E79T71-Q75 PolarHBondContact O-N 2.97Å; L72-Q75 PolarHBondContact O-N 3.38Å; Q75-F77 VanDerWaalsContact C-N 3.25Å; Q75-F77 PolarHBondContact O-N 3.33Å; Q75-W78 PolarHBondContact O-N 3.43Å; Q75-W78 VanDerWaalsContact O-N 3.14Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.3Å; Q75-E79 PolarHBondContact NE2-OE1 3.22Å; Q75-E79 WeakPolarHBondContact O-CG 3.28Å; Q75-E79 PolarHBondContact O-N 3.14Å
76A90Very high85.6Confident30 Ų3049.6 Ų49.625%0.24828%0.275CS..Hα-helixtrans-59.8-36.817800000112L72 C80L72-A76 VanDerWaalsContact O-CB 3.29Å; L72-A76 WeakPolarHBondContact O-CB 3.46Å; L72-A76 PolarHBondContact O-N 2.8Å; A76-C80 WeakPolarHBondContact O-CB 3.38Å; A76-C80 PolarHBondContact O-N 2.84Å; A76-C80 PolarHBondContact O-SG 3Å
77F91.8Very high86.1Confident41 Ų4150.7 Ų50.718%0.1827%0.274CS..Hα-helixtrans-59.8-52.6173.4170.4-99.4000111.4L73 W74 Q75 E79 C80 V81 P117 C120 M121L73-F77 WeakPolarHBondContact O-CB 3.29Å; L73-F77 PolarHBondContact O-N 3.28Å; W74-F77 WeakPolarHBondContact O-CB 3.4Å; W74-F77 PolarHBondContact O-N 3.11Å; Q75-F77 VanDerWaalsContact C-N 3.25Å; Q75-F77 PolarHBondContact O-N 3.33Å; F77-E79 VanDerWaalsContact C-N 3.34Å; F77-E79 PolarHBondContact O-N 2.92Å; F77-C80 PolarHBondContact O-N 3.05Å; F77-V81 HydrophobicContact CD1-CG2 4.36Å; F77-V81 HydrophobicContact CD2-CG2 4.27Å; F77-V81 HydrophobicContact CE1-CG2 3.96Å; F77-V81 HydrophobicContact CE2-CG2 3.86Å; F77-V81 HydrophobicContact CZ-CG2 3.69Å; F77-V81 VanDerWaalsContact O-CG2 3.25Å; F77-V81 WeakPolarHBondContact O-CG2 3.21Å; F77-V81 PolarHBondContact O-N 3.41Å; F77-P117 HydrophobicContact CD2-CB 4.03Å; F77-P117 HydrophobicContact CE2-CB 4.19Å; F77-C120 HydrophobicContact CB-CB 4.43Å; F77-M121 HydrophobicContact CD2-CB 4.1Å; F77-M121 HydrophobicContact CD2-SD 4.32Å; F77-M121 HydrophobicContact CE2-CB 4.21Å; F77-M121 HydrophobicContact CE2-SD 4.28Å; F77-M121 HydrophobicContact CG-SD 4.47Å; F77-M121 HydrophobicContact CZ-SD 4.4Å
78W90.5Very high87.1Confident66 Ų6649.5 Ų49.525%0.2527%0.266CS..Hα-helixtrans-64.4-37.4179.3-83.1107.7000113W74 Q75 V81 V82 V161W74-W78 AromaticContact CD1-CD1 4Å; W74-W78 AromaticContact CE2-CD1 3.56Å; W74-W78 AromaticContact CE2-NE1 3.23Å; W74-W78 AromaticContact CH2-NE1 3.67Å; W74-W78 AromaticContact CZ2-CD1 3.9Å; W74-W78 AromaticContact CZ2-NE1 3.06Å; W74-W78 AromaticContact NE1-CD1 3.53Å; W74-W78 AromaticContact NE1-NE1 3.56Å; W74-W78 PolarHBondContact O-N 3.2Å; Q75-W78 PolarHBondContact O-N 3.43Å; Q75-W78 VanDerWaalsContact O-N 3.14Å; W78-V81 HydrophobicContact CE3-CB 4.5Å; W78-V81 HydrophobicContact CE3-CG1 4.38Å; W78-V81 HydrophobicContact CZ3-CG1 4.39Å; W78-V81 PolarHBondContact O-N 3.33Å; W78-V82 WeakPolarHBondContact O-CB 3.4Å; W78-V82 VanDerWaalsContact O-CG2 3.27Å; W78-V82 WeakPolarHBondContact O-CG2 2.98Å; W78-V82 PolarHBondContact O-N 2.97Å; W78-V161 HydrophobicContact CB-CG1 4.19Å; W78-V161 HydrophobicContact CD2-CG1 4.47Å; W78-V161 HydrophobicContact CG-CG1 4.19Å
79E90.3Very high87.8Confident104 Ų10447.8 Ų47.849%0.48626%0.255SS..Hα-helixtrans-61.5-47.5174.5-75.3175.6-174.400111.6Q75 F77 V81 V82 V83Q75-E79 WeakPolarHBondContact CG-OE1 3.3Å; Q75-E79 PolarHBondContact NE2-OE1 3.22Å; Q75-E79 WeakPolarHBondContact O-CG 3.28Å; Q75-E79 PolarHBondContact O-N 3.14Å; F77-E79 VanDerWaalsContact C-N 3.34Å; F77-E79 PolarHBondContact O-N 2.92Å; E79-V81 VanDerWaalsContact C-N 3.28Å; E79-V81 PolarHBondContact O-N 2.71Å; E79-V82 PolarHBondContact O-N 2.64Å; E79-V83 WeakPolarHBondContact O-CB 3.43Å; E79-V83 VanDerWaalsContact O-CG2 3.31Å; E79-V83 WeakPolarHBondContact O-CG2 3.42Å; E79-V83 PolarHBondContact O-N 3.11Å
80C91.4Very high88.5Confident28 Ų2850.8 Ų50.819%0.18926%0.264CS..Hα-helixtrans-60.5-40.9175.1-67.80000111.1A76 F77 V83 A84 P117A76-C80 WeakPolarHBondContact O-CB 3.38Å; A76-C80 PolarHBondContact O-N 2.84Å; A76-C80 PolarHBondContact O-SG 3Å; F77-C80 PolarHBondContact O-N 3.05Å; C80-V83 PolarHBondContact O-N 3.44Å; C80-A84 WeakPolarHBondContact O-CB 3.43Å; C80-A84 PolarHBondContact O-N 2.95Å; C80-P117 HydrophobicContact CB-CB 4.19Å; C80-P117 HydrophobicContact CB-CG 4.48Å
81V91.6Very high88.6Confident25 Ų2554.6 Ų54.615%0.15228%0.276CS..Hα-helixtrans-63.8-46.2-180169.50000111.5F77 W78 E79 W85 V86F77-V81 HydrophobicContact CD1-CG2 4.36Å; F77-V81 HydrophobicContact CD2-CG2 4.27Å; F77-V81 HydrophobicContact CE1-CG2 3.96Å; F77-V81 HydrophobicContact CE2-CG2 3.86Å; F77-V81 HydrophobicContact CZ-CG2 3.69Å; F77-V81 VanDerWaalsContact O-CG2 3.25Å; F77-V81 WeakPolarHBondContact O-CG2 3.21Å; F77-V81 PolarHBondContact O-N 3.41Å; W78-V81 HydrophobicContact CE3-CB 4.5Å; W78-V81 HydrophobicContact CE3-CG1 4.38Å; W78-V81 HydrophobicContact CZ3-CG1 4.39Å; W78-V81 PolarHBondContact O-N 3.33Å; E79-V81 VanDerWaalsContact C-N 3.28Å; E79-V81 PolarHBondContact O-N 2.71Å; V81-W85 VanDerWaalsContact CA-CE3 3.49Å; V81-W85 HydrophobicContact CB-CE3 4.01Å; V81-W85 HydrophobicContact CB-CZ3 4.09Å; V81-W85 HydrophobicContact CG1-CE3 3.96Å; V81-W85 HydrophobicContact CG1-CZ3 4.42Å; V81-W85 HydrophobicContact CG2-CE3 4.03Å; V81-W85 HydrophobicContact CG2-CZ3 3.64Å; V81-W85 PolarHBondContact O-N 3.32Å; V81-V86 PolarHBondContact O-N 3.25Å
82V89.8Confident88.7Confident68 Ų6857.7 Ų57.741%0.41229%0.289SS..Iπ-helixtrans-64.6-45.6179.51710000110.5W78 E79 V86 Y87W78-V82 WeakPolarHBondContact O-CB 3.4Å; W78-V82 VanDerWaalsContact O-CG2 3.27Å; W78-V82 WeakPolarHBondContact O-CG2 2.98Å; W78-V82 PolarHBondContact O-N 2.97Å; E79-V82 PolarHBondContact O-N 2.64Å; V82-V86 HydrophobicContact CG1-CB 4.32Å; V82-V86 HydrophobicContact CG2-CG2 4.44Å; V82-V86 CarbonylContact O-C 3.57Å; V82-V86 WeakPolarHBondContact O-CA 3.25Å; V82-V86 VanDerWaalsContact O-CB 3.3Å; V82-V86 WeakPolarHBondContact O-CB 3.22Å; V82-V86 PolarHBondContact O-N 3.04Å; V82-V86 VanDerWaalsContact O-N 3.15Å; V82-Y87 PolarHBondContact O-N 3.21Å
83V89.9Confident88.7Confident57 Ų5753.3 Ų53.335%0.34527%0.266SS..Iπ-helixtrans-67.3-45.7-179.9174.40000111.6E79 C80 G88 F92E79-V83 WeakPolarHBondContact O-CB 3.43Å; E79-V83 VanDerWaalsContact O-CG2 3.31Å; E79-V83 WeakPolarHBondContact O-CG2 3.42Å; E79-V83 PolarHBondContact O-N 3.11Å; C80-V83 PolarHBondContact O-N 3.44Å; V83-G88 PolarHBondContact O-N 3.32Å; V83-F92 HydrophobicContact CG1-CB 4.36Å; V83-F92 HydrophobicContact CG1-CD1 4.05Å; V83-F92 HydrophobicContact CG1-CD2 3.95Å; V83-F92 HydrophobicContact CG1-CE1 4.3Å; V83-F92 HydrophobicContact CG1-CE2 4.22Å; V83-F92 HydrophobicContact CG1-CG 3.86Å; V83-F92 HydrophobicContact CG1-CZ 4.38Å
84A89.4Confident88.5Confident11 Ų1154.3 Ų54.39%0.09127%0.272CS..Iπ-helixtrans-75.6-44.2-172.600000113.7C80 G88 A89C80-A84 WeakPolarHBondContact O-CB 3.43Å; C80-A84 PolarHBondContact O-N 2.95Å; A84-G88 CarbonylContact O-C 3.49Å; A84-G88 WeakPolarHBondContact O-CA 3.3Å; A84-A89 PolarHBondContact O-N 3.4Å
85W88.4Confident88.3Confident124 Ų12453 Ų5347%0.4727%0.269SS..Iπ-helixtrans-109.6-35.1-172.7-65.2-76.5000114.2V81 S113 F114 P117V81-W85 VanDerWaalsContact CA-CE3 3.49Å; V81-W85 HydrophobicContact CB-CE3 4.01Å; V81-W85 HydrophobicContact CB-CZ3 4.09Å; V81-W85 HydrophobicContact CG1-CE3 3.96Å; V81-W85 HydrophobicContact CG1-CZ3 4.42Å; V81-W85 HydrophobicContact CG2-CE3 4.03Å; V81-W85 HydrophobicContact CG2-CZ3 3.64Å; V81-W85 PolarHBondContact O-N 3.32Å; W85-S113 WeakPolarHBondContact CH2-O 3.23Å; W85-S113 WeakPolarHBondContact CZ2-O 3.48Å; W85-F114 HydrophobicContact CZ2-CD1 4.34Å; W85-F114 HydrophobicContact CZ2-CE1 4.2Å; W85-F114 HydrophobicContact CZ2-CE2 4.49Å; W85-F114 HydrophobicContact CZ2-CZ 4.29Å; W85-P117 HydrophobicContact CH2-CB 4.28Å; W85-P117 HydrophobicContact CH2-CG 3.67Å; W85-P117 HydrophobicContact CZ3-CB 4.33Å; W85-P117 HydrophobicContact CZ3-CG 4.03Å
86V88.1Confident88.1Confident51 Ų5151.5 Ų51.531%0.30926%0.262SS..Iπ-helixtrans-80.4-52.1-179-176.40000110.9V81 V82 T184V81-V86 PolarHBondContact O-N 3.25Å; V82-V86 HydrophobicContact CG1-CB 4.32Å; V82-V86 HydrophobicContact CG2-CG2 4.44Å; V82-V86 CarbonylContact O-C 3.57Å; V82-V86 WeakPolarHBondContact O-CA 3.25Å; V82-V86 VanDerWaalsContact O-CB 3.3Å; V82-V86 WeakPolarHBondContact O-CB 3.22Å; V82-V86 PolarHBondContact O-N 3.04Å; V82-V86 VanDerWaalsContact O-N 3.15Å; V86-T184 HydrophobicContact CG1-CG2 3.56Å
87Y86.9Confident87.9Confident57 Ų5750.8 Ų50.822%0.22426%0.256CS..Iπ-helixtrans-73.9-41174.8-176.4-108.7000111.5V82 R91 F92 D95 P186V82-Y87 PolarHBondContact O-N 3.21Å; Y87-R91 HydrophobicContact CD1-CB 4.27Å; Y87-R91 HydrophobicContact CE1-CB 3.8Å; Y87-R91 WeakPolarHBondContact O-CD 3.29Å; Y87-F92 HydrophobicContact CD1-CB 4.18Å; Y87-F92 HydrophobicContact CE1-CB 4.24Å; Y87-D95 VanDerWaalsContact CE1-OD2 3.27Å; Y87-D95 WeakPolarHBondContact CE1-OD2 3.43Å; Y87-D95 VanDerWaalsContact CZ-OD2 3.26Å; Y87-D95 PolarHBondContact OH-OD2 2.97Å; Y87-P186 HydrophobicContact CD2-CB 4.22Å; Y87-P186 HydrophobicContact CD2-CG 4.48Å; Y87-P186 HydrophobicContact CE2-CB 3.8Å; Y87-P186 HydrophobicContact CE2-CG 4.03Å
88G87.7Confident87.2Confident20 Ų2051.7 Ų51.721%0.20627%0.267CS..Iπ-helixtrans103.9121.5176.200000112V83 A84 D90 R91 F92V83-G88 PolarHBondContact O-N 3.32Å; A84-G88 CarbonylContact O-C 3.49Å; A84-G88 WeakPolarHBondContact O-CA 3.3Å; G88-D90 VanDerWaalsContact C-N 3.27Å; G88-D90 PolarHBondContact O-N 3.3Å; G88-R91 WeakPolarHBondContact O-CB 3.33Å; G88-R91 PolarHBondContact O-N 3.42Å; G88-R91 VanDerWaalsContact O-N 3.08Å; G88-F92 PolarHBondContact O-N 2.95Å; G88-F92 VanDerWaalsContact O-N 3.08Å
89A87Confident86.9Confident14 Ų1455.8 Ų55.812%0.11629%0.291CS..Hα-helixtrans-60.4-32-176.200000113.8A84 F92 M93 K109A84-A89 PolarHBondContact O-N 3.4Å; A89-F92 PolarHBondContact O-N 3.14Å; A89-M93 VanDerWaalsContact O-CG 3.25Å; A89-M93 WeakPolarHBondContact O-CG 3.21Å; A89-M93 PolarHBondContact O-N 3.17Å; A89-K109 HydrophobicContact CB-CD 4.34Å; A89-K109 HydrophobicContact CB-CG 3.86Å
90D86.1Confident86.6Confident95 Ų9554.5 Ų54.551%0.50829%0.286SS..Hα-helixtrans-67.4-41.5175.1-68.8-61.4000112.1G88 F92 M93 D94 K109G88-D90 VanDerWaalsContact C-N 3.27Å; G88-D90 PolarHBondContact O-N 3.3Å; D90-F92 VanDerWaalsContact C-N 3.32Å; D90-F92 PolarHBondContact O-N 3.04Å; D90-M93 PolarHBondContact O-N 3.44Å; D90-D94 VanDerWaalsContact O-CG 3.23Å; D90-D94 PolarHBondContact O-N 3.02Å; D90-K109 WeakPolarHBondContact OD1-CE 3.3Å; D90-K109 IonicContact OD1-NZ 2.75Å; D90-K109 PolarHBondContact OD1-NZ 3.33Å; D90-K109 IonicContact OD2-NZ 2.92Å; D90-K109 PolarHBondContact OD2-NZ 3.5Å
91R83.9Confident86.1Confident98 Ų9856.5 Ų56.537%0.3731%0.312SS..Hα-helixtrans-63.8-41.5176.2-68.2174.9135.2179.4-2.5111.1Y87 G88 M93 D94 D95Y87-R91 HydrophobicContact CD1-CB 4.27Å; Y87-R91 HydrophobicContact CE1-CB 3.8Å; Y87-R91 WeakPolarHBondContact O-CD 3.29Å; G88-R91 WeakPolarHBondContact O-CB 3.33Å; G88-R91 PolarHBondContact O-N 3.42Å; G88-R91 VanDerWaalsContact O-N 3.08Å; R91-M93 PolarHBondContact O-N 2.86Å; R91-D94 WeakPolarHBondContact O-CB 3.35Å; R91-D94 PolarHBondContact O-N 2.86Å; R91-D95 VanDerWaalsContact O-CG 3.28Å; R91-D95 PolarHBondContact O-N 2.9Å; R91-D95 VanDerWaalsContact O-OD2 3.14Å
92F87.1Confident85.6Confident70 Ų7062.7 Ų62.731%0.30733%0.333SS..Hα-helixtrans-62.6-40.7176.5-175.3-116.6000112.7V83 Y87 G88 A89 D90 D94 D95 I96 W112V83-F92 HydrophobicContact CG1-CB 4.36Å; V83-F92 HydrophobicContact CG1-CD1 4.05Å; V83-F92 HydrophobicContact CG1-CD2 3.95Å; V83-F92 HydrophobicContact CG1-CE1 4.3Å; V83-F92 HydrophobicContact CG1-CE2 4.22Å; V83-F92 HydrophobicContact CG1-CG 3.86Å; V83-F92 HydrophobicContact CG1-CZ 4.38Å; Y87-F92 HydrophobicContact CD1-CB 4.18Å; Y87-F92 HydrophobicContact CE1-CB 4.24Å; G88-F92 PolarHBondContact O-N 2.95Å; G88-F92 VanDerWaalsContact O-N 3.08Å; A89-F92 PolarHBondContact O-N 3.14Å; D90-F92 VanDerWaalsContact C-N 3.32Å; D90-F92 PolarHBondContact O-N 3.04Å; F92-D94 VanDerWaalsContact C-N 3.29Å; F92-D94 PolarHBondContact O-N 3.36Å; F92-D95 PolarHBondContact O-N 2.83Å; F92-I96 HydrophobicContact CD1-CD1 3.78Å; F92-I96 HydrophobicContact CE1-CD1 3.39Å; F92-I96 HydrophobicContact CE1-CG1 4.37Å; F92-I96 HydrophobicContact CE2-CD1 4.3Å; F92-I96 HydrophobicContact CE2-CG1 4.48Å; F92-I96 HydrophobicContact CG-CD1 4.4Å; F92-I96 HydrophobicContact CZ-CD1 3.68Å; F92-I96 HydrophobicContact CZ-CG1 4.27Å; F92-I96 WeakPolarHBondContact O-CG1 3.29Å; F92-I96 PolarHBondContact O-N 3.42Å; F92-W112 HydrophobicContact CD1-CE3 4.39Å; F92-W112 AromaticContact CE1-CE3 3.86Å; F92-W112 HydrophobicContact CE1-CE3 3.86Å; F92-W112 AromaticContact CE1-CZ3 3.84Å; F92-W112 HydrophobicContact CE1-CZ3 3.84Å
93M85.9Confident85.1Confident13 Ų1367 Ų676%0.06434%0.342CS..Hα-helixtrans-66.6-32.5175.4-68.9-70.4-76.900112.3A89 D90 R91 A97 P104 K109 W112A89-M93 VanDerWaalsContact O-CG 3.25Å; A89-M93 WeakPolarHBondContact O-CG 3.21Å; A89-M93 PolarHBondContact O-N 3.17Å; D90-M93 PolarHBondContact O-N 3.44Å; R91-M93 PolarHBondContact O-N 2.86Å; M93-A97 WeakPolarHBondContact O-CB 3.19Å; M93-A97 PolarHBondContact O-N 3.21Å; M93-P104 HydrophobicContact CE-CB 3.7Å; M93-P104 HydrophobicContact CE-CG 3.83Å; M93-P104 WeakPolarHBondContact CE-O 3.35Å; M93-P104 HydrophobicContact SD-CB 4.48Å; M93-P104 HydrophobicContact SD-CG 4.18Å; M93-K109 HydrophobicContact CG-CB 4.43Å; M93-K109 HydrophobicContact CG-CG 4.45Å; M93-W112 HydrophobicContact SD-CZ3 4.47Å
94D84.2Confident84.8Confident56 Ų5664.8 Ų64.830%0.29933%0.329SS..Hα-helixtrans-68.4-43.4175.1-67.79.9000111D90 R91 F92 A97 C98 R103D90-D94 VanDerWaalsContact O-CG 3.23Å; D90-D94 PolarHBondContact O-N 3.02Å; R91-D94 WeakPolarHBondContact O-CB 3.35Å; R91-D94 PolarHBondContact O-N 2.86Å; F92-D94 VanDerWaalsContact C-N 3.29Å; F92-D94 PolarHBondContact O-N 3.36Å; D94-A97 WeakPolarHBondContact O-CB 2.81Å; D94-A97 PolarHBondContact O-N 2.95Å; D94-C98 PolarHBondContact O-N 2.85Å; D94-C98 PolarHBondContact O-SG 2.99Å; D94-R103 IonicContact OD1-CZ 3.92Å; D94-R103 IonicContact OD1-NE 2.62Å; D94-R103 IonicContact OD1-NH1 3.77Å; D94-R103 PolarHBondContact OD1-NH1 2.95Å; D94-R103 IonicContact OD1-NH2 2.83Å; D94-R103 PolarHBondContact OD1-NH2 3.23Å; D94-R103 IonicContact OD2-CZ 2.85Å; D94-R103 IonicContact OD2-NH1 2.58Å; D94-R103 IonicContact OD2-NH2 3.77Å; D94-R103 PolarHBondContact OD2-NH2 2.88Å
95D84.6Confident84.6Confident28 Ų2868.8 Ų68.815%0.1536%0.355CS..Hα-helixtrans-63.5-43175.8-63-38.7000111.5Y87 R91 F92 A97 C98 M99Y87-D95 VanDerWaalsContact CE1-OD2 3.27Å; Y87-D95 WeakPolarHBondContact CE1-OD2 3.43Å; Y87-D95 VanDerWaalsContact CZ-OD2 3.26Å; Y87-D95 PolarHBondContact OH-OD2 2.97Å; R91-D95 VanDerWaalsContact O-CG 3.28Å; R91-D95 PolarHBondContact O-N 2.9Å; R91-D95 VanDerWaalsContact O-OD2 3.14Å; F92-D95 PolarHBondContact O-N 2.83Å; D95-A97 VanDerWaalsContact C-N 3.3Å; D95-A97 PolarHBondContact O-N 2.91Å; D95-C98 WeakPolarHBondContact O-CB 3.08Å; D95-C98 PolarHBondContact O-N 3.03Å; D95-M99 WeakPolarHBondContact O-CG 3.39Å; D95-M99 PolarHBondContact O-N 3.31Å
96I84.9Confident84.3Confident26 Ų2667.6 Ų67.613%0.13336%0.364CS..Hα-helixtrans-59.4-45.3173.9-71170.2000110.1F92 C98 M99 I100 P104 W112F92-I96 HydrophobicContact CD1-CD1 3.78Å; F92-I96 HydrophobicContact CE1-CD1 3.39Å; F92-I96 HydrophobicContact CE1-CG1 4.37Å; F92-I96 HydrophobicContact CE2-CD1 4.3Å; F92-I96 HydrophobicContact CE2-CG1 4.48Å; F92-I96 HydrophobicContact CG-CD1 4.4Å; F92-I96 HydrophobicContact CZ-CD1 3.68Å; F92-I96 HydrophobicContact CZ-CG1 4.27Å; F92-I96 WeakPolarHBondContact O-CG1 3.29Å; F92-I96 PolarHBondContact O-N 3.42Å; I96-C98 PolarHBondContact O-N 3.33Å; I96-M99 PolarHBondContact O-N 2.94Å; I96-I100 HydrophobicContact CG2-CD1 3.65Å; I96-I100 HydrophobicContact CG2-CG1 4.23Å; I96-I100 HydrophobicContact CG2-CG2 4.39Å; I96-I100 WeakPolarHBondContact O-CG1 3.49Å; I96-I100 PolarHBondContact O-N 3.48Å; I96-P104 HydrophobicContact CB-CG 4.34Å; I96-P104 HydrophobicContact CG2-CG 3.49Å; I96-P104 VanDerWaalsContact CG2-CG 3.49Å; I96-W112 HydrophobicContact CD1-CH2 4.23Å; I96-W112 HydrophobicContact CD1-CZ3 3.66Å
97A85.6Confident84.3Confident14 Ų1474.3 Ų74.312%0.11638%0.383CS..Hα-helixtrans-61.2-33.8178.700000112.7M93 D94 D95 G101 Y102 R103M93-A97 WeakPolarHBondContact O-CB 3.19Å; M93-A97 PolarHBondContact O-N 3.21Å; D94-A97 WeakPolarHBondContact O-CB 2.81Å; D94-A97 PolarHBondContact O-N 2.95Å; D95-A97 VanDerWaalsContact C-N 3.3Å; D95-A97 PolarHBondContact O-N 2.91Å; A97-G101 CarbonylContact O-C 3.53Å; A97-G101 WeakPolarHBondContact O-CA 3.24Å; A97-G101 PolarHBondContact O-N 3.35Å; A97-Y102 VanDerWaalsContact CA-O 3.3Å; A97-Y102 WeakPolarHBondContact CA-O 3Å; A97-Y102 PolarHBondContact O-N 2.97Å; A97-R103 HydrophobicContact CB-CB 4.28Å; A97-R103 HydrophobicContact CB-CG 3.5Å; A97-R103 VanDerWaalsContact CB-CG 3.5Å
98C77.4Confident84.1Confident60 Ų6075 Ų7541%0.40539%0.39SS..Hα-helixtrans-68.7-36.2173.3-61.60000112.2D94 D95 I96 Y195D94-C98 PolarHBondContact O-N 2.85Å; D94-C98 PolarHBondContact O-SG 2.99Å; D95-C98 WeakPolarHBondContact O-CB 3.08Å; D95-C98 PolarHBondContact O-N 3.03Å; I96-C98 PolarHBondContact O-N 3.33Å; C98-Y195 WeakPolarHBondContact SG-CE1 3.26Å
99M84Confident84.1Confident153 Ų15376.7 Ų76.775%0.75439%0.391SS*.Hα-helixtrans-73.9-39.6178.7-66.1176.5-170.500112.9D95 I96D95-M99 WeakPolarHBondContact O-CG 3.39Å; D95-M99 PolarHBondContact O-N 3.31Å; I96-M99 PolarHBondContact O-N 2.94Å
100I84.9Confident84.1Confident77 Ų7783.3 Ų83.340%0.39541%0.413SS..Hα-helixtrans-102.5-11.2-173.375.9-176.1000113.9I96 Y102 P104I96-I100 HydrophobicContact CG2-CD1 3.65Å; I96-I100 HydrophobicContact CG2-CG1 4.23Å; I96-I100 HydrophobicContact CG2-CG2 4.39Å; I96-I100 WeakPolarHBondContact O-CG1 3.49Å; I96-I100 PolarHBondContact O-N 3.48Å; I100-Y102 HydrophobicContact CB-CD1 4.49Å; I100-Y102 HydrophobicContact CB-CE1 4.21Å; I100-Y102 HydrophobicContact CD1-CD1 4.2Å; I100-Y102 HydrophobicContact CD1-CD2 4.1Å; I100-Y102 HydrophobicContact CD1-CE1 3.84Å; I100-Y102 HydrophobicContact CD1-CE2 3.72Å; I100-Y102 HydrophobicContact CD1-CG 4.32Å; I100-Y102 WeakPolarHBondContact CD1-O 3.35Å; I100-Y102 HydrophobicContact CG1-CD1 3.9Å; I100-Y102 HydrophobicContact CG1-CD2 4.49Å; I100-Y102 HydrophobicContact CG1-CE1 3.85Å; I100-Y102 HydrophobicContact CG1-CE2 4.45Å; I100-Y102 HydrophobicContact CG1-CG 4.23Å; I100-Y102 VanDerWaalsContact CG1-O 3.24Å; I100-Y102 WeakPolarHBondContact CG1-O 3.46Å; I100-P104 HydrophobicContact CD1-CG 4.06Å
101G79.6Confident84.2Confident70 Ų7080.4 Ų80.472%0.72240%0.4SS*.SBendtrans84.80.7178.700000115.9A97A97-G101 CarbonylContact O-C 3.53Å; A97-G101 WeakPolarHBondContact O-CA 3.24Å; A97-G101 PolarHBondContact O-N 3.35Å
102Y81.4Confident84.3Confident155 Ų15580.9 Ų80.961%0.60840%0.402SS*.SBendtrans-148.6151.5175.765.3-88.7000111.7A97 I100 P104A97-Y102 VanDerWaalsContact CA-O 3.3Å; A97-Y102 WeakPolarHBondContact CA-O 3Å; A97-Y102 PolarHBondContact O-N 2.97Å; I100-Y102 HydrophobicContact CB-CD1 4.49Å; I100-Y102 HydrophobicContact CB-CE1 4.21Å; I100-Y102 HydrophobicContact CD1-CD1 4.2Å; I100-Y102 HydrophobicContact CD1-CD2 4.1Å; I100-Y102 HydrophobicContact CD1-CE1 3.84Å; I100-Y102 HydrophobicContact CD1-CE2 3.72Å; I100-Y102 HydrophobicContact CD1-CG 4.32Å; I100-Y102 WeakPolarHBondContact CD1-O 3.35Å; I100-Y102 HydrophobicContact CG1-CD1 3.9Å; I100-Y102 HydrophobicContact CG1-CD2 4.49Å; I100-Y102 HydrophobicContact CG1-CE1 3.85Å; I100-Y102 HydrophobicContact CG1-CE2 4.45Å; I100-Y102 HydrophobicContact CG1-CG 4.23Å; I100-Y102 VanDerWaalsContact CG1-O 3.24Å; I100-Y102 WeakPolarHBondContact CG1-O 3.46Å; Y102-P104 WeakPolarHBondContact O-CD 3.46Å
103R80.8Confident84.3Confident158 Ų15878.1 Ų78.160%0.59639%0.391SS*.PPolyproline II helixtrans-76.2123.8176.5-78.7-176.3-178.8-125.72.3110.8D94 A97D94-R103 IonicContact OD1-CZ 3.92Å; D94-R103 IonicContact OD1-NE 2.62Å; D94-R103 IonicContact OD1-NH1 3.77Å; D94-R103 PolarHBondContact OD1-NH1 2.95Å; D94-R103 IonicContact OD1-NH2 2.83Å; D94-R103 PolarHBondContact OD1-NH2 3.23Å; D94-R103 IonicContact OD2-CZ 2.85Å; D94-R103 IonicContact OD2-NH1 2.58Å; D94-R103 IonicContact OD2-NH2 3.77Å; D94-R103 PolarHBondContact OD2-NH2 2.88Å; A97-R103 HydrophobicContact CB-CB 4.28Å; A97-R103 HydrophobicContact CB-CG 3.5Å; A97-R103 VanDerWaalsContact CB-CG 3.5Å
104P83.5Confident84.5Confident11 Ų1182.7 Ų82.77%0.07141%0.411CS..PPolyproline II helixtrans-64.7158.5175.4-7.417.3000112M93 I96 I100 Y102 M108M93-P104 HydrophobicContact CE-CB 3.7Å; M93-P104 HydrophobicContact CE-CG 3.83Å; M93-P104 WeakPolarHBondContact CE-O 3.35Å; M93-P104 HydrophobicContact SD-CB 4.48Å; M93-P104 HydrophobicContact SD-CG 4.18Å; I96-P104 HydrophobicContact CB-CG 4.34Å; I96-P104 HydrophobicContact CG2-CG 3.49Å; I96-P104 VanDerWaalsContact CG2-CG 3.49Å; I100-P104 HydrophobicContact CD1-CG 4.06Å; Y102-P104 WeakPolarHBondContact O-CD 3.46Å; P104-M108 HydrophobicContact CB-CE 3.39Å; P104-M108 HydrophobicContact CG-CE 4.28Å
105C84.6Confident84.9Confident94 Ų9486.2 Ų86.264%0.63542%0.424SS*.PPolyproline II helixtrans-55.9138.4-178.3-63.10000112W107 M108C105-W107 PolarHBondContact O-N 3.27Å; C105-M108 WeakPolarHBondContact O-CB 3.37Å; C105-M108 PolarHBondContact O-N 3.12Å
106P82.9Confident85.2Confident100 Ų10087 Ų8765%0.64943%0.43SS*.Hα-helixtrans-58.9-23.4-179.6-26.834.7000114.9M108 K109 W110P106-M108 VanDerWaalsContact C-N 3.25Å; P106-M108 PolarHBondContact O-N 2.99Å; P106-K109 VanDerWaalsContact O-CB 3.22Å; P106-K109 WeakPolarHBondContact O-CB 3.48Å; P106-K109 PolarHBondContact O-N 2.89Å; P106-W110 VanDerWaalsContact O-CD1 3.32Å
107W86.2Confident85.6Confident191 Ų19186 Ų8672%0.72343%0.425SS*.Hα-helixtrans-60.6-35.7174.7-176.1-109.6000112.6C105 K109 W110 C111C105-W107 PolarHBondContact O-N 3.27Å; W107-K109 PolarHBondContact O-N 2.98Å; W107-W110 WeakPolarHBondContact O-CB 3.3Å; W107-W110 PolarHBondContact O-N 3.22Å; W107-C111 PolarHBondContact O-N 3.35Å; W107-C111 VanDerWaalsContact O-N 3.09Å
108M84.3Confident86Confident73 Ų7391 Ų9136%0.3645%0.45SS..Hα-helixtrans-65.8-30.5179.8-164.6142.562.800112P104 C105 P106 C111 W112P104-M108 HydrophobicContact CB-CE 3.39Å; P104-M108 HydrophobicContact CG-CE 4.28Å; C105-M108 WeakPolarHBondContact O-CB 3.37Å; C105-M108 PolarHBondContact O-N 3.12Å; P106-M108 VanDerWaalsContact C-N 3.25Å; P106-M108 PolarHBondContact O-N 2.99Å; M108-C111 PolarHBondContact O-N 3.37Å; M108-W112 HydrophobicContact CE-CH2 4.11Å; M108-W112 HydrophobicContact CG-CD2 4.04Å; M108-W112 HydrophobicContact CG-CE3 4.09Å; M108-W112 HydrophobicContact CG-CH2 3.74Å; M108-W112 HydrophobicContact CG-CZ2 3.65Å; M108-W112 HydrophobicContact CG-CZ3 3.94Å; M108-W112 PolarHBondContact O-N 3.03Å; M108-W112 VanDerWaalsContact O-N 3.11Å; M108-W112 HydrophobicContact SD-CH2 3.9Å; M108-W112 HydrophobicContact SD-CZ2 3.78Å
109K86.1Confident86.7Confident55 Ų5590.6 Ų90.624%0.23945%0.445CS..Hα-helixtrans-59.2-45.7170.9-172.2-168.8174.9-177.70111.3A89 D90 M93 P106 W107 S113A89-K109 HydrophobicContact CB-CD 4.34Å; A89-K109 HydrophobicContact CB-CG 3.86Å; D90-K109 WeakPolarHBondContact OD1-CE 3.3Å; D90-K109 IonicContact OD1-NZ 2.75Å; D90-K109 PolarHBondContact OD1-NZ 3.33Å; D90-K109 IonicContact OD2-NZ 2.92Å; D90-K109 PolarHBondContact OD2-NZ 3.5Å; M93-K109 HydrophobicContact CG-CB 4.43Å; M93-K109 HydrophobicContact CG-CG 4.45Å; P106-K109 VanDerWaalsContact O-CB 3.22Å; P106-K109 WeakPolarHBondContact O-CB 3.48Å; P106-K109 PolarHBondContact O-N 2.89Å; W107-K109 PolarHBondContact O-N 2.98Å; K109-S113 WeakPolarHBondContact O-CB 3.38Å; K109-S113 PolarHBondContact O-N 3.21Å
110W88.3Confident87Confident152 Ų15284.1 Ų84.158%0.57642%0.415SS*.Hα-helixtrans-67.2-39.1179.3-71.399000112.2P106 W107 F114 F115P106-W110 VanDerWaalsContact O-CD1 3.32Å; W107-W110 WeakPolarHBondContact O-CB 3.3Å; W107-W110 PolarHBondContact O-N 3.22Å; W110-F114 AromaticContact CE3-CD2 3.82Å; W110-F114 HydrophobicContact CE3-CD2 3.82Å; W110-F114 HydrophobicContact CE3-CE2 4.29Å; W110-F114 AromaticContact CZ3-CD2 3.94Å; W110-F114 HydrophobicContact CZ3-CD2 3.94Å; W110-F114 AromaticContact CZ3-CE2 3.95Å; W110-F114 HydrophobicContact CZ3-CE2 3.95Å; W110-F114 PolarHBondContact O-N 3.08Å; W110-F115 PolarHBondContact O-N 3.48Å
111C88.9Confident87.3Confident35 Ų3582.9 Ų82.924%0.23641%0.408CS..Iπ-helixtrans-58-51.9175.3-69.30000111.4W107 M108 F115 T116W107-C111 PolarHBondContact O-N 3.35Å; W107-C111 VanDerWaalsContact O-N 3.09Å; M108-C111 PolarHBondContact O-N 3.37Å; C111-F115 WeakPolarHBondContact O-CB 3.49Å; C111-F115 PolarHBondContact O-N 3.38Å; C111-F115 VanDerWaalsContact O-N 3.13Å; C111-T116 PolarHBondContact O-N 2.94Å; C111-T116 PolarHBondContact O-OG1 3.28Å; C111-T116 VanDerWaalsContact O-OG1 3.12Å
112W84.6Confident88Confident108 Ų10881.4 Ų81.441%0.40939%0.393SS..Iπ-helixtrans-76.8-32.2-177.2-63.6-26.1000113.9F92 M93 I96 M108 P117F92-W112 HydrophobicContact CD1-CE3 4.39Å; F92-W112 AromaticContact CE1-CE3 3.86Å; F92-W112 HydrophobicContact CE1-CE3 3.86Å; F92-W112 AromaticContact CE1-CZ3 3.84Å; F92-W112 HydrophobicContact CE1-CZ3 3.84Å; M93-W112 HydrophobicContact SD-CZ3 4.47Å; I96-W112 HydrophobicContact CD1-CH2 4.23Å; I96-W112 HydrophobicContact CD1-CZ3 3.66Å; M108-W112 HydrophobicContact CE-CH2 4.11Å; M108-W112 HydrophobicContact CG-CD2 4.04Å; M108-W112 HydrophobicContact CG-CE3 4.09Å; M108-W112 HydrophobicContact CG-CH2 3.74Å; M108-W112 HydrophobicContact CG-CZ2 3.65Å; M108-W112 HydrophobicContact CG-CZ3 3.94Å; M108-W112 PolarHBondContact O-N 3.03Å; M108-W112 VanDerWaalsContact O-N 3.11Å; M108-W112 HydrophobicContact SD-CH2 3.9Å; M108-W112 HydrophobicContact SD-CZ2 3.78Å; W112-P117 WeakPolarHBondContact O-CD 3.48Å
113S87.5Confident88.4Confident11 Ų1178.1 Ų78.18%0.07738%0.384CS..Iπ-helixtrans-80.4-30.7-178.3-176.20000113.2W85 K109 P117W85-S113 WeakPolarHBondContact CH2-O 3.23Å; W85-S113 WeakPolarHBondContact CZ2-O 3.48Å; K109-S113 WeakPolarHBondContact O-CB 3.38Å; K109-S113 PolarHBondContact O-N 3.21Å; S113-P117 WeakPolarHBondContact O-CG 3.35Å
114F89.9Confident88.9Confident109 Ų10972 Ų7248%0.47836%0.362SS..Iπ-helixtrans-125.9-47.9-173.5-86-86.3000113.2W85 W110 P117 L118W85-F114 HydrophobicContact CZ2-CD1 4.34Å; W85-F114 HydrophobicContact CZ2-CE1 4.2Å; W85-F114 HydrophobicContact CZ2-CE2 4.49Å; W85-F114 HydrophobicContact CZ2-CZ 4.29Å; W110-F114 AromaticContact CE3-CD2 3.82Å; W110-F114 HydrophobicContact CE3-CD2 3.82Å; W110-F114 HydrophobicContact CE3-CE2 4.29Å; W110-F114 AromaticContact CZ3-CD2 3.94Å; W110-F114 HydrophobicContact CZ3-CD2 3.94Å; W110-F114 AromaticContact CZ3-CE2 3.95Å; W110-F114 HydrophobicContact CZ3-CE2 3.95Å; W110-F114 PolarHBondContact O-N 3.08Å; F114-P117 WeakPolarHBondContact O-CG 3.24Å; F114-L118 WeakPolarHBondContact O-CB 3.31Å; F114-L118 PolarHBondContact O-N 3.37Å
115F91.9Very high89.2Confident130 Ų13075.7 Ų75.757%0.5738%0.38SS*.Iπ-helixtrans-71.9-48.1-172.2-170.2-101.1000112.3W110 C111 L118 V119W110-F115 PolarHBondContact O-N 3.48Å; C111-F115 WeakPolarHBondContact O-CB 3.49Å; C111-F115 PolarHBondContact O-N 3.38Å; C111-F115 VanDerWaalsContact O-N 3.13Å; F115-L118 PolarHBondContact O-N 3.25Å; F115-V119 HydrophobicContact CD1-CG2 3.95Å; F115-V119 HydrophobicContact CD2-CG2 4.44Å; F115-V119 HydrophobicContact CE1-CG2 3.59Å; F115-V119 HydrophobicContact CE2-CG2 4.11Å; F115-V119 HydrophobicContact CG-CG2 4.37Å; F115-V119 HydrophobicContact CZ-CG2 3.68Å; F115-V119 WeakPolarHBondContact O-CG2 3.27Å; F115-V119 PolarHBondContact O-N 3.32Å
116T91.8Very high89.5Confident44 Ų4477.2 Ų77.227%0.2738%0.376SS..Hα-helixtrans-56-54.9178.1-58.30000112.7C111 L118 V119 C120C111-T116 PolarHBondContact O-N 2.94Å; C111-T116 PolarHBondContact O-OG1 3.28Å; C111-T116 VanDerWaalsContact O-OG1 3.12Å; T116-L118 VanDerWaalsContact C-N 3.28Å; T116-L118 PolarHBondContact O-N 3.37Å; T116-V119 PolarHBondContact O-N 3.01Å; T116-C120 WeakPolarHBondContact O-CB 3.24Å; T116-C120 PolarHBondContact O-N 3.35Å; T116-C120 PolarHBondContact O-SG 3.45Å
117P92.9Very high89.7Confident5 Ų575 Ų753%0.03236%0.359CS..Hα-helixtrans-63.5-33.6179.422.1-31.8000112.6F77 C80 W85 W112 S113 F114 M121F77-P117 HydrophobicContact CD2-CB 4.03Å; F77-P117 HydrophobicContact CE2-CB 4.19Å; C80-P117 HydrophobicContact CB-CB 4.19Å; C80-P117 HydrophobicContact CB-CG 4.48Å; W85-P117 HydrophobicContact CH2-CB 4.28Å; W85-P117 HydrophobicContact CH2-CG 3.67Å; W85-P117 HydrophobicContact CZ3-CB 4.33Å; W85-P117 HydrophobicContact CZ3-CG 4.03Å; W112-P117 WeakPolarHBondContact O-CD 3.48Å; S113-P117 WeakPolarHBondContact O-CG 3.35Å; F114-P117 WeakPolarHBondContact O-CG 3.24Å; P117-M121 VanDerWaalsContact O-CB 3.27Å; P117-M121 WeakPolarHBondContact O-CB 3.27Å; P117-M121 PolarHBondContact O-N 3.08Å
118L93.7Very high89.7Confident121 Ų12169 Ų6963%0.63434%0.344SS*.Hα-helixtrans-65.9-44.8176.2-174.9151.6000111.8F114 F115 T116 G122F114-L118 WeakPolarHBondContact O-CB 3.31Å; F114-L118 PolarHBondContact O-N 3.37Å; F115-L118 PolarHBondContact O-N 3.25Å; T116-L118 VanDerWaalsContact C-N 3.28Å; T116-L118 PolarHBondContact O-N 3.37Å; L118-G122 PolarHBondContact O-N 2.97Å
119V92.9Very high89.9Confident50 Ų5070.2 Ų70.230%0.30336%0.355SS..Hα-helixtrans-66.7-45.4177.1172.40000110.8F115 T116 M121 G122 I123F115-V119 HydrophobicContact CD1-CG2 3.95Å; F115-V119 HydrophobicContact CD2-CG2 4.44Å; F115-V119 HydrophobicContact CE1-CG2 3.59Å; F115-V119 HydrophobicContact CE2-CG2 4.11Å; F115-V119 HydrophobicContact CG-CG2 4.37Å; F115-V119 HydrophobicContact CZ-CG2 3.68Å; F115-V119 WeakPolarHBondContact O-CG2 3.27Å; F115-V119 PolarHBondContact O-N 3.32Å; T116-V119 PolarHBondContact O-N 3.01Å; V119-M121 VanDerWaalsContact C-N 3.34Å; V119-M121 PolarHBondContact O-N 2.9Å; V119-G122 PolarHBondContact O-N 3.42Å; V119-I123 HydrophobicContact CG1-CD1 3.66Å; V119-I123 HydrophobicContact CG1-CG1 4.28Å; V119-I123 VanDerWaalsContact O-CG1 3.3Å; V119-I123 WeakPolarHBondContact O-CG1 3.27Å; V119-I123 PolarHBondContact O-N 3.38Å
120C91.1Very high89.9Confident18 Ų1875 Ų7512%0.12237%0.373CS..Hα-helixtrans-57.9-46.2176.6-69.70000111.6F77 T116 F124F77-C120 HydrophobicContact CB-CB 4.43Å; T116-C120 WeakPolarHBondContact O-CB 3.24Å; T116-C120 PolarHBondContact O-N 3.35Å; T116-C120 PolarHBondContact O-SG 3.45Å; C120-F124 WeakPolarHBondContact O-CB 3.31Å; C120-F124 PolarHBondContact O-N 3.12Å
121M91.1Very high89.6Confident51 Ų5170.4 Ų70.425%0.25136%0.355SS..Hα-helixtrans-66.9-39.7177.4-166.569.5-143.300111.9F77 P117 V119 F124 I125F77-M121 HydrophobicContact CD2-CB 4.1Å; F77-M121 HydrophobicContact CD2-SD 4.32Å; F77-M121 HydrophobicContact CE2-CB 4.21Å; F77-M121 HydrophobicContact CE2-SD 4.28Å; F77-M121 HydrophobicContact CG-SD 4.47Å; F77-M121 HydrophobicContact CZ-SD 4.4Å; P117-M121 VanDerWaalsContact O-CB 3.27Å; P117-M121 WeakPolarHBondContact O-CB 3.27Å; P117-M121 PolarHBondContact O-N 3.08Å; V119-M121 VanDerWaalsContact C-N 3.34Å; V119-M121 PolarHBondContact O-N 2.9Å; M121-F124 HydrophobicContact CE-CD1 3.72Å; M121-F124 HydrophobicContact CE-CE1 4.25Å; M121-F124 PolarHBondContact O-N 2.5Å; M121-I125 HydrophobicContact CE-CD1 3.89Å; M121-I125 HydrophobicContact CE-CG1 3.69Å; M121-I125 HydrophobicContact CG-CD1 4.07Å; M121-I125 VanDerWaalsContact O-CG1 3.3Å; M121-I125 WeakPolarHBondContact O-CG1 3.25Å; M121-I125 PolarHBondContact O-N 3.37Å
122G92.6Very high89.1Confident39 Ų3976 Ų7640%0.40238%0.378SS..Hα-helixtrans-62.3-46.2177.500000112.7L118 V119 F124 I125 F126L118-G122 PolarHBondContact O-N 2.97Å; V119-G122 PolarHBondContact O-N 3.42Å; G122-F124 VanDerWaalsContact C-N 3.34Å; G122-I125 PolarHBondContact O-N 3.44Å; G122-F126 WeakPolarHBondContact O-CB 3.27Å; G122-F126 PolarHBondContact O-N 2.91Å
123I91.1Very high88.7Confident85 Ų8574 Ų7444%0.43638%0.379SS..Hα-helixtrans-65.9-40176.5-60.7167.1000110.3L73 V119 F126 N127L73-I123 HydrophobicContact CD1-CB 4.02Å; L73-I123 HydrophobicContact CD1-CG2 3.48Å; L73-I123 VanDerWaalsContact CD1-CG2 3.48Å; V119-I123 HydrophobicContact CG1-CD1 3.66Å; V119-I123 HydrophobicContact CG1-CG1 4.28Å; V119-I123 VanDerWaalsContact O-CG1 3.3Å; V119-I123 WeakPolarHBondContact O-CG1 3.27Å; V119-I123 PolarHBondContact O-N 3.38Å; I123-F126 PolarHBondContact O-N 2.9Å; I123-N127 WeakPolarHBondContact O-CB 3.32Å; I123-N127 PolarHBondContact O-N 3.34Å
124F90.4Very high88.2Confident29 Ų2974.2 Ų74.213%0.12738%0.38CS..Hα-helixtrans-59.8-49.6175.8178.6-91.6000111.8T70 L73 W74 C120 M121 G122 F126 N127 V128 M158T70-F124 WeakPolarHBondContact O-CD2 3.47Å; T70-F124 WeakPolarHBondContact O-CE2 3.35Å; L73-F124 HydrophobicContact CB-CB 4.4Å; W74-F124 HydrophobicContact CB-CD2 4.3Å; W74-F124 HydrophobicContact CB-CE2 4.02Å; W74-F124 HydrophobicContact CE3-CE1 4.15Å; W74-F124 HydrophobicContact CE3-CE2 4.29Å; W74-F124 AromaticContact CE3-CZ 3.99Å; W74-F124 HydrophobicContact CE3-CZ 3.99Å; W74-F124 HydrophobicContact CZ3-CE1 4.45Å; C120-F124 WeakPolarHBondContact O-CB 3.31Å; C120-F124 PolarHBondContact O-N 3.12Å; M121-F124 HydrophobicContact CE-CD1 3.72Å; M121-F124 HydrophobicContact CE-CE1 4.25Å; M121-F124 PolarHBondContact O-N 2.5Å; G122-F124 VanDerWaalsContact C-N 3.34Å; F124-F126 VanDerWaalsContact C-N 3.34Å; F124-F126 PolarHBondContact O-N 3.48Å; F124-N127 PolarHBondContact O-N 2.94Å; F124-V128 HydrophobicContact CD1-CG2 4.27Å; F124-V128 HydrophobicContact CE1-CG2 3.89Å; F124-V128 HydrophobicContact CE2-CG2 4.44Å; F124-V128 HydrophobicContact CZ-CG2 3.99Å; F124-V128 WeakPolarHBondContact O-CG2 3.35Å; F124-V128 PolarHBondContact O-N 3.25Å; F124-M158 HydrophobicContact CE2-CE 3.86Å; F124-M158 HydrophobicContact CZ-CE 4.41Å
125I90.8Very high87.6Confident89 Ų8971.5 Ų71.546%0.45637%0.371SS..Hα-helixtrans-61.1-45.3177.7-67.6168.3000110.4M121 G122 N127 V128 V129M121-I125 HydrophobicContact CE-CD1 3.89Å; M121-I125 HydrophobicContact CE-CG1 3.69Å; M121-I125 HydrophobicContact CG-CD1 4.07Å; M121-I125 VanDerWaalsContact O-CG1 3.3Å; M121-I125 WeakPolarHBondContact O-CG1 3.25Å; M121-I125 PolarHBondContact O-N 3.37Å; G122-I125 PolarHBondContact O-N 3.44Å; I125-N127 VanDerWaalsContact C-N 3.28Å; I125-N127 PolarHBondContact O-N 2.88Å; I125-V128 PolarHBondContact O-N 3.14Å; I125-V129 HydrophobicContact CG2-CG2 4.12Å; I125-V129 VanDerWaalsContact O-CG2 3.31Å; I125-V129 WeakPolarHBondContact O-CG2 3.45Å; I125-V129 PolarHBondContact O-N 2.97Å
126F90.9Very high86.6Confident126 Ų12668.4 Ų68.455%0.55336%0.356SS*.Hα-helixtrans-58.3-43.5177.9-178.1-96.7000111.5G122 I123 F124 V128 V129 Y130G122-F126 WeakPolarHBondContact O-CB 3.27Å; G122-F126 PolarHBondContact O-N 2.91Å; I123-F126 PolarHBondContact O-N 2.9Å; F124-F126 VanDerWaalsContact C-N 3.34Å; F124-F126 PolarHBondContact O-N 3.48Å; F126-V128 PolarHBondContact O-N 3.31Å; F126-V129 PolarHBondContact O-N 3.36Å; F126-Y130 AromaticContact CD2-CD2 3.49Å; F126-Y130 HydrophobicContact CD2-CD2 3.49Å; F126-Y130 VanDerWaalsContact CD2-CD2 3.49Å; F126-Y130 AromaticContact CD2-CE2 3.66Å; F126-Y130 HydrophobicContact CD2-CE2 3.66Å; F126-Y130 HydrophobicContact CE1-CD2 4.34Å; F126-Y130 AromaticContact CE2-CD2 3.27Å; F126-Y130 HydrophobicContact CE2-CD2 3.27Å; F126-Y130 AromaticContact CE2-CE2 3.36Å; F126-Y130 HydrophobicContact CE2-CE2 3.36Å; F126-Y130 HydrophobicContact CE2-CG 4.18Å; F126-Y130 HydrophobicContact CG-CD2 4.12Å; F126-Y130 AromaticContact CZ-CD2 3.74Å; F126-Y130 HydrophobicContact CZ-CD2 3.74Å; F126-Y130 HydrophobicContact CZ-CE2 4.18Å; F126-Y130 HydrophobicContact CZ-CG 4.23Å; F126-Y130 WeakPolarHBondContact O-CD2 3.45Å; F126-Y130 PolarHBondContact O-N 2.9Å
127N87.1Confident85.4Confident53 Ų5372.1 Ų72.128%0.28338%0.375SS..Hα-helixtrans-65.5-37.9178.1-168.2-76000112.6T70 I123 F124 I125 Y130 Y131T70-N127 HydrophobicContact CG2-CB 4.17Å; T70-N127 VanDerWaalsContact CG2-CG 3.42Å; T70-N127 WeakPolarHBondContact CG2-OD1 3.29Å; I123-N127 WeakPolarHBondContact O-CB 3.32Å; I123-N127 PolarHBondContact O-N 3.34Å; F124-N127 PolarHBondContact O-N 2.94Å; I125-N127 VanDerWaalsContact C-N 3.28Å; I125-N127 PolarHBondContact O-N 2.88Å; N127-Y130 CarbonylContact O-C 3.59Å; N127-Y131 WeakPolarHBondContact O-CA 3.42Å; N127-Y131 PolarHBondContact O-N 2.96Å
128V84.9Confident84.2Confident66 Ų6679.2 Ų79.240%0.441%0.412SS..Hα-helixtrans-69.8-39.1176.2173.10000112F124 I125 F126 Y131F124-V128 HydrophobicContact CD1-CG2 4.27Å; F124-V128 HydrophobicContact CE1-CG2 3.89Å; F124-V128 HydrophobicContact CE2-CG2 4.44Å; F124-V128 HydrophobicContact CZ-CG2 3.99Å; F124-V128 WeakPolarHBondContact O-CG2 3.35Å; F124-V128 PolarHBondContact O-N 3.25Å; I125-V128 PolarHBondContact O-N 3.14Å; F126-V128 PolarHBondContact O-N 3.31Å; V128-Y131 WeakPolarHBondContact O-CB 3.5Å
129V89Confident83.1Confident99 Ų9979.1 Ų79.160%0.642%0.417SS*.Hα-helixtrans-72.1-42.9-179.4171.20000111.6I125 F126 Y131I125-V129 HydrophobicContact CG2-CG2 4.12Å; I125-V129 VanDerWaalsContact O-CG2 3.31Å; I125-V129 WeakPolarHBondContact O-CG2 3.45Å; I125-V129 PolarHBondContact O-N 2.97Å; F126-V129 PolarHBondContact O-N 3.36Å; V129-Y131 VanDerWaalsContact C-N 3.3Å; V129-Y131 PolarHBondContact O-N 3.45Å
130Y86.3Confident82.2Confident156 Ų15681.1 Ų81.161%0.61242%0.42SS*.THydrogen-bonded Turntrans-100.542.8178.4-64.7-81.8000111.1F126 N127 E132F126-Y130 AromaticContact CD2-CD2 3.49Å; F126-Y130 HydrophobicContact CD2-CD2 3.49Å; F126-Y130 VanDerWaalsContact CD2-CD2 3.49Å; F126-Y130 AromaticContact CD2-CE2 3.66Å; F126-Y130 HydrophobicContact CD2-CE2 3.66Å; F126-Y130 HydrophobicContact CE1-CD2 4.34Å; F126-Y130 AromaticContact CE2-CD2 3.27Å; F126-Y130 HydrophobicContact CE2-CD2 3.27Å; F126-Y130 AromaticContact CE2-CE2 3.36Å; F126-Y130 HydrophobicContact CE2-CE2 3.36Å; F126-Y130 HydrophobicContact CE2-CG 4.18Å; F126-Y130 HydrophobicContact CG-CD2 4.12Å; F126-Y130 AromaticContact CZ-CD2 3.74Å; F126-Y130 HydrophobicContact CZ-CD2 3.74Å; F126-Y130 HydrophobicContact CZ-CE2 4.18Å; F126-Y130 HydrophobicContact CZ-CG 4.23Å; F126-Y130 WeakPolarHBondContact O-CD2 3.45Å; F126-Y130 PolarHBondContact O-N 2.9Å; N127-Y130 CarbonylContact O-C 3.59Å; Y130-E132 PolarHBondContact O-N 3.29Å
131Y82.1Confident81.7Confident54 Ų5484.7 Ų84.721%0.21244%0.441CS..  trans-68.5122.1179.6171.8-93.4000110.3Y65 N127 V128 V129 E147 W151Y65-Y131 HydrophobicContact CE1-CE2 4.36Å; Y65-Y131 PolarHBondContact OH-OH 3.19Å; N127-Y131 WeakPolarHBondContact O-CA 3.42Å; N127-Y131 PolarHBondContact O-N 2.96Å; V128-Y131 WeakPolarHBondContact O-CB 3.5Å; V129-Y131 VanDerWaalsContact C-N 3.3Å; V129-Y131 PolarHBondContact O-N 3.45Å; Y131-E147 WeakPolarHBondContact CE1-OE1 3.49Å; Y131-E147 VanDerWaalsContact CZ-OE1 3.29Å; Y131-E147 PolarHBondContact OH-OE1 3.04Å; Y131-W151 AromaticContact CD2-CZ2 3.75Å; Y131-W151 HydrophobicContact CD2-CZ2 3.75Å; Y131-W151 AromaticContact CE2-CE2 3.94Å; Y131-W151 AromaticContact CE2-CZ2 3.57Å; Y131-W151 HydrophobicContact CE2-CZ2 3.57Å; Y131-W151 AromaticContact CE2-NE1 3.82Å; Y131-W151 HydrophobicContact CG-CZ2 4.37Å; Y131-W151 AromaticContact CZ-NE1 3.51Å; Y131-W151 PolarHBondContact OH-NE1 3.47Å; Y131-W151 VanDerWaalsContact OH-NE1 3.11Å
132E77.4Confident81.2Confident153 Ų15383.3 Ų83.372%0.71543%0.433SS*.  trans-107.6131.4172.1-68-169.5158.200109.4Y64 Y130Y64-E132 PolarHBondContact OH-O 3.06Å; Y130-E132 PolarHBondContact O-N 3.29Å
133P76.6Confident80.9Confident67 Ų6783.1 Ų83.144%0.43543%0.425SS..  trans-64142.3179.426.9-33.5000110.4V135P133-V135 PolarHBondContact O-N 3.47Å
134L78.1Confident80.6Confident15 Ų1588.8 Ų88.88%0.07944%0.441CS..  trans-59.3126.3177.8-176.566000110.5Q60 L61 Y64 Y65 Y142Q60-L134 HydrophobicContact CG-CD1 4.36Å; Q60-L134 HydrophobicContact CG-CD2 4.26Å; L61-L134 HydrophobicContact CD1-CD2 4.2Å; Y64-L134 HydrophobicContact CD1-CB 4.27Å; Y64-L134 HydrophobicContact CD1-CD1 4.24Å; Y64-L134 HydrophobicContact CD1-CD2 4.48Å; Y64-L134 HydrophobicContact CD2-CD1 3.68Å; Y64-L134 HydrophobicContact CE1-CB 4.47Å; Y64-L134 HydrophobicContact CE2-CD1 4.18Å; Y64-L134 HydrophobicContact CG-CD1 3.69Å; Y64-L134 HydrophobicContact CG-CD2 4.27Å; Y64-L134 HydrophobicContact CG-CG 4.39Å; Y65-L134 HydrophobicContact CE2-CB 4.35Å; Y65-L134 HydrophobicContact CE2-CD2 4.36Å; L134-Y142 HydrophobicContact CB-CD2 4.2Å; L134-Y142 HydrophobicContact CB-CE2 4.49Å; L134-Y142 HydrophobicContact CD2-CD2 4.02Å; L134-Y142 HydrophobicContact CD2-CE2 3.59Å; L134-Y142 HydrophobicContact CG-CD2 4.05Å; L134-Y142 HydrophobicContact CG-CE2 3.84Å; L134-Y142 WeakPolarHBondContact O-CD2 3.25Å
135V77.1Confident80.3Confident51 Ų5194 Ų9431%0.30946%0.46SS..EExtended strand (participates in β ladder)trans-117.7126.4172.7-171.80000109P133 Y140 V141P133-V135 PolarHBondContact O-N 3.47Å; V135-Y140 CarbonylContact C-O 3.4Å; V135-Y140 WeakPolarHBondContact CA-O 3.14Å; V135-Y140 WeakPolarHBondContact CG1-O 3.41Å; V135-V141 HydrophobicContact CG1-CG2 4.36Å; V135-V141 HydrophobicContact CG2-CG2 4.31Å
136Y69.9Low79.9Confident65 Ų6589.8 Ų89.826%0.25544%0.438SS..EExtended strand (participates in β ladder)trans-88.6124.7173.3-177.4-108.8000110.1M56 Y57 N138 T139 Y140M56-Y136 HydrophobicContact CG-CE2 3.71Å; M56-Y136 VanDerWaalsContact CG-OH 3.26Å; M56-Y136 WeakPolarHBondContact CG-OH 3.37Å; Y57-Y136 AromaticContact CD1-CD1 3.83Å; Y57-Y136 HydrophobicContact CD1-CD1 3.83Å; Y57-Y136 HydrophobicContact CD1-CE1 4.36Å; Y57-Y136 HydrophobicContact CD1-CG 4.03Å; Y57-Y136 AromaticContact CE1-CD1 3.19Å; Y57-Y136 HydrophobicContact CE1-CD1 3.19Å; Y57-Y136 AromaticContact CE1-CE1 3.72Å; Y57-Y136 HydrophobicContact CE1-CE1 3.72Å; Y57-Y136 AromaticContact CE1-CG 3.83Å; Y57-Y136 HydrophobicContact CE1-CG 3.83Å; Y57-Y136 HydrophobicContact CE2-CE1 4.41Å; Y57-Y136 AromaticContact CZ-CD1 3.68Å; Y57-Y136 AromaticContact CZ-CE1 3.73Å; Y136-N138 PolarHBondContact O-N 3.12Å; Y136-N138 VanDerWaalsContact O-N 3.09Å; Y136-T139 PolarHBondContact O-N 3.08Å; Y136-Y140 PolarHBondContact N-O 3.5Å; Y136-Y140 PolarHBondContact O-N 3.38Å
137N67.8Low79.5Confident123 Ų12386.5 Ų86.566%0.65842%0.424SS*.THydrogen-bonded Turntrans53.127.9177.8-161.734.7000114.9T139N137-T139 PolarHBondContact O-N 2.91Å; N137-T139 PolarHBondContact O-OG1 2.89Å
138N66.6Low79.4Confident153 Ų15386.4 Ų86.482%0.81843%0.431SS*.THydrogen-bonded Turntrans56.57-177.4-64.5-41.4000116.3Y136Y136-N138 PolarHBondContact O-N 3.12Å; Y136-N138 VanDerWaalsContact O-N 3.09Å
139T70.6Confident79.3Confident120 Ų12087.6 Ų87.674%0.73643%0.434SS*.THydrogen-bonded Turntrans-120.8-23.7-178.754.80000112.7Y136 N137Y136-T139 PolarHBondContact O-N 3.08Å; N137-T139 PolarHBondContact O-N 2.91Å; N137-T139 PolarHBondContact O-OG1 2.89Å
140Y75.4Confident79Confident91 Ų9182.9 Ų82.936%0.35741%0.405SS..EExtended strand (participates in β ladder)trans-113.5110.4-177.7-175.2-91.7000111Y57 V135 Y136 Y142Y57-Y140 AromaticContact CD1-CD1 3.8Å; Y57-Y140 HydrophobicContact CD1-CD1 3.8Å; Y57-Y140 AromaticContact CD1-CE1 3.87Å; Y57-Y140 HydrophobicContact CD1-CE1 3.87Å; Y57-Y140 HydrophobicContact CD1-CG 4.45Å; Y57-Y140 AromaticContact CE1-CD1 3.59Å; Y57-Y140 HydrophobicContact CE1-CD1 3.59Å; Y57-Y140 HydrophobicContact CE1-CD2 4.32Å; Y57-Y140 AromaticContact CE1-CE1 3.97Å; Y57-Y140 HydrophobicContact CE1-CE1 3.97Å; Y57-Y140 AromaticContact CE1-CG 3.78Å; Y57-Y140 HydrophobicContact CE1-CG 3.78Å; V135-Y140 CarbonylContact C-O 3.4Å; V135-Y140 WeakPolarHBondContact CA-O 3.14Å; V135-Y140 WeakPolarHBondContact CG1-O 3.41Å; Y136-Y140 PolarHBondContact N-O 3.5Å; Y136-Y140 PolarHBondContact O-N 3.38Å; Y140-Y142 HydrophobicContact CD1-CD2 4.45Å; Y140-Y142 HydrophobicContact CD1-CE2 4.46Å; Y140-Y142 HydrophobicContact CE1-CD1 4.21Å; Y140-Y142 HydrophobicContact CE1-CD2 4.44Å; Y140-Y142 HydrophobicContact CE1-CE1 4.35Å; Y140-Y142 HydrophobicContact CE1-CG 4.26Å
141V79.6Confident78.9Confident93 Ų9379 Ų7956%0.56439%0.389SS*.EExtended strand (participates in β ladder)trans-90.5128.6172.4-177.80000108.1V135V135-V141 HydrophobicContact CG1-CG2 4.36Å; V135-V141 HydrophobicContact CG2-CG2 4.31Å
142Y79.8Confident79.1Confident22 Ų2279 Ų799%0.08640%0.401CS..PPolyproline II helixtrans-63.3139.4177.3-79.6-96.1000110.5Y57 Q60 L61 L134 Y140Y57-Y142 VanDerWaalsContact C-OH 3.28Å; Y57-Y142 WeakPolarHBondContact CA-OH 3.48Å; Y57-Y142 WeakPolarHBondContact CB-OH 3.2Å; Y57-Y142 PolarHBondContact O-OH 2.95Å; Q60-Y142 PolarHBondContact OE1-OH 3.31Å; L61-Y142 HydrophobicContact CB-CE1 4.28Å; L61-Y142 HydrophobicContact CD1-CD1 4.03Å; L61-Y142 HydrophobicContact CD1-CE1 4.13Å; L61-Y142 HydrophobicContact CD1-CG 4.41Å; L134-Y142 HydrophobicContact CB-CD2 4.2Å; L134-Y142 HydrophobicContact CB-CE2 4.49Å; L134-Y142 HydrophobicContact CD2-CD2 4.02Å; L134-Y142 HydrophobicContact CD2-CE2 3.59Å; L134-Y142 HydrophobicContact CG-CD2 4.05Å; L134-Y142 HydrophobicContact CG-CE2 3.84Å; L134-Y142 WeakPolarHBondContact O-CD2 3.25Å; Y140-Y142 HydrophobicContact CD1-CD2 4.45Å; Y140-Y142 HydrophobicContact CD1-CE2 4.46Å; Y140-Y142 HydrophobicContact CE1-CD1 4.21Å; Y140-Y142 HydrophobicContact CE1-CD2 4.44Å; Y140-Y142 HydrophobicContact CE1-CE1 4.35Å; Y140-Y142 HydrophobicContact CE1-CG 4.26Å
143P86.9Confident79.3Confident36 Ų3676.2 Ų76.223%0.23439%0.387CS..PPolyproline II helixtrans-65.7156.9172.629.2-35.2000110.6W145 G146 E147P143-W145 HydrophobicContact CB-CG 4.34Å; P143-W145 HydrophobicContact CG-CD2 3.9Å; P143-W145 HydrophobicContact CG-CG 4.19Å; P143-W145 HydrophobicContact CG-CH2 4.31Å; P143-W145 HydrophobicContact CG-CZ2 3.44Å; P143-W145 VanDerWaalsContact CG-CZ2 3.44Å; P143-W145 PolarHBondContact O-N 3.18Å; P143-G146 WeakPolarHBondContact O-CA 3.42Å; P143-G146 PolarHBondContact O-N 2.87Å; P143-E147 PolarHBondContact O-N 3.11Å
144W85.3Confident79.7Confident204 Ų20473.1 Ų73.177%0.77337%0.366SS*.Hα-helixtrans-54.1-31.1-178.170.2-91000114G146 A148W144-G146 VanDerWaalsContact C-N 3.35Å; W144-A148 WeakPolarHBondContact O-CB 3.08Å; W144-A148 PolarHBondContact O-N 2.95Å
145W84.9Confident80.1Confident139 Ų13976.3 Ų76.353%0.52738%0.383SS..Hα-helixtrans-69.7-33.4176.364-104.6000112P143 A148 M149P143-W145 HydrophobicContact CB-CG 4.34Å; P143-W145 HydrophobicContact CG-CD2 3.9Å; P143-W145 HydrophobicContact CG-CG 4.19Å; P143-W145 HydrophobicContact CG-CH2 4.31Å; P143-W145 HydrophobicContact CG-CZ2 3.44Å; P143-W145 VanDerWaalsContact CG-CZ2 3.44Å; P143-W145 PolarHBondContact O-N 3.18Å; W145-A148 PolarHBondContact O-N 3.42Å; W145-M149 HydrophobicContact CE3-SD 3.89Å; W145-M149 HydrophobicContact CZ3-SD 4.01Å; W145-M149 WeakPolarHBondContact O-CG 3.45Å; W145-M149 PolarHBondContact O-N 3.26Å
146G81.1Confident80.4Confident0 Ų078 Ų780%040%0.397CS..Hα-helixtrans-71.2-40.717800000111.1P143 W144 M149 G150P143-G146 WeakPolarHBondContact O-CA 3.42Å; P143-G146 PolarHBondContact O-N 2.87Å; W144-G146 VanDerWaalsContact C-N 3.35Å; G146-M149 PolarHBondContact O-N 2.89Å; G146-G150 PolarHBondContact O-N 3.23Å
147E82.2Confident81Confident56 Ų5677.4 Ų77.426%0.26240%0.402SS..Hα-helixtrans-62-44.2170.6174.9168.1-156.700112Y131 P143 M149 G150 W151Y131-E147 WeakPolarHBondContact CE1-OE1 3.49Å; Y131-E147 VanDerWaalsContact CZ-OE1 3.29Å; Y131-E147 PolarHBondContact OH-OE1 3.04Å; P143-E147 PolarHBondContact O-N 3.11Å; E147-M149 VanDerWaalsContact C-N 3.3Å; E147-M149 PolarHBondContact O-N 3.32Å; E147-G150 PolarHBondContact O-N 3.26Å; E147-G150 VanDerWaalsContact O-N 3.14Å; E147-W151 PolarHBondContact O-N 3.45Å
148A86.6Confident81.9Confident52 Ų5272.2 Ų72.243%0.4337%0.374SS..Hα-helixtrans-60.3-39.8175.400000112.3W144 W145 A152W144-A148 WeakPolarHBondContact O-CB 3.08Å; W144-A148 PolarHBondContact O-N 2.95Å; W145-A148 PolarHBondContact O-N 3.42Å; A148-A152 WeakPolarHBondContact O-CB 3.37Å; A148-A152 PolarHBondContact O-N 3.23Å
149M81.9Confident82.8Confident91 Ų9169 Ų6945%0.44836%0.357SS..Hα-helixtrans-65.1-42.1173.3-74.6-176.763.300112.3W145 G146 E147 A152 F153W145-M149 HydrophobicContact CE3-SD 3.89Å; W145-M149 HydrophobicContact CZ3-SD 4.01Å; W145-M149 WeakPolarHBondContact O-CG 3.45Å; W145-M149 PolarHBondContact O-N 3.26Å; G146-M149 PolarHBondContact O-N 2.89Å; E147-M149 VanDerWaalsContact C-N 3.3Å; E147-M149 PolarHBondContact O-N 3.32Å; M149-A152 WeakPolarHBondContact O-CB 3.46Å; M149-A152 PolarHBondContact O-N 2.93Å; M149-F153 HydrophobicContact CE-CE2 4.37Å; M149-F153 HydrophobicContact CE-CZ 4.37Å; M149-F153 WeakPolarHBondContact O-CD2 3.42Å; M149-F153 PolarHBondContact O-N 3.42Å
150G82.6Confident83.5Confident0 Ų067.1 Ų67.10%035%0.348CS..Hα-helixtrans-57.4-52.7174.800000111.8Y65 G146 E147 A152 F153 A154Y65-G150 VanDerWaalsContact CB-O 3.29Å; Y65-G150 WeakPolarHBondContact CB-O 3.27Å; Y65-G150 VanDerWaalsContact CG-C 3.48Å; G146-G150 PolarHBondContact O-N 3.23Å; E147-G150 PolarHBondContact O-N 3.26Å; E147-G150 VanDerWaalsContact O-N 3.14Å; G150-A152 VanDerWaalsContact C-N 3.29Å; G150-A152 PolarHBondContact O-N 2.91Å; G150-F153 PolarHBondContact O-N 2.9Å; G150-F153 VanDerWaalsContact O-N 3.14Å; G150-A154 PolarHBondContact O-N 3.44Å
151W84.2Confident84Confident73 Ų7364.9 Ų64.928%0.27734%0.343SS..Hα-helixtrans-60.9-35.3175.7-82.3103.6000113.2Y65 Y131 E147 A154 L155Y65-W151 AromaticContact CE1-CD1 3.73Å; Y65-W151 HydrophobicContact CE1-CD2 4.45Å; Y65-W151 HydrophobicContact CE1-CG 4.18Å; Y65-W151 AromaticContact CE1-NE1 3.75Å; Y131-W151 AromaticContact CD2-CZ2 3.75Å; Y131-W151 HydrophobicContact CD2-CZ2 3.75Å; Y131-W151 AromaticContact CE2-CE2 3.94Å; Y131-W151 AromaticContact CE2-CZ2 3.57Å; Y131-W151 HydrophobicContact CE2-CZ2 3.57Å; Y131-W151 AromaticContact CE2-NE1 3.82Å; Y131-W151 HydrophobicContact CG-CZ2 4.37Å; Y131-W151 AromaticContact CZ-NE1 3.51Å; Y131-W151 PolarHBondContact OH-NE1 3.47Å; Y131-W151 VanDerWaalsContact OH-NE1 3.11Å; E147-W151 PolarHBondContact O-N 3.45Å; W151-A154 PolarHBondContact O-N 3.39Å; W151-L155 VanDerWaalsContact O-CB 3.3Å; W151-L155 WeakPolarHBondContact O-CB 3.32Å; W151-L155 WeakPolarHBondContact O-CG 3.3Å; W151-L155 PolarHBondContact O-N 3.06Å
152A85.9Confident84.2Confident55 Ų5562.3 Ų62.346%0.45533%0.329SS..Hα-helixtrans-62.8-41.6174.600000112.1A148 M149 G150 S156A148-A152 WeakPolarHBondContact O-CB 3.37Å; A148-A152 PolarHBondContact O-N 3.23Å; M149-A152 WeakPolarHBondContact O-CB 3.46Å; M149-A152 PolarHBondContact O-N 2.93Å; G150-A152 VanDerWaalsContact C-N 3.29Å; G150-A152 PolarHBondContact O-N 2.91Å; A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.48Å; A152-S156 PolarHBondContact O-N 3.07Å
153F82.3Confident84.4Confident95 Ų9566.2 Ų66.242%0.41735%0.351SS..Hα-helixtrans-65.7-44.4174.1-65.7-48.1000112.1M149 G150 S156 S157M149-F153 HydrophobicContact CE-CE2 4.37Å; M149-F153 HydrophobicContact CE-CZ 4.37Å; M149-F153 WeakPolarHBondContact O-CD2 3.42Å; M149-F153 PolarHBondContact O-N 3.42Å; G150-F153 PolarHBondContact O-N 2.9Å; G150-F153 VanDerWaalsContact O-N 3.14Å; F153-S156 PolarHBondContact O-N 3.32Å; F153-S157 PolarHBondContact O-N 3.37Å
154A84.9Confident84.3Confident1 Ų170.7 Ų70.71%0.00837%0.368CS..Hα-helixtrans-58.6-51177.300000111.3Y65 T71 G150 W151 S156 S157 M158Y65-A154 VanDerWaalsContact O-CB 3.29Å; Y65-A154 WeakPolarHBondContact O-CB 3.38Å; T71-A154 HydrophobicContact CG2-CB 3.85Å; G150-A154 PolarHBondContact O-N 3.44Å; W151-A154 PolarHBondContact O-N 3.39Å; A154-S156 VanDerWaalsContact C-N 3.33Å; A154-S156 PolarHBondContact O-N 3.22Å; A154-S157 PolarHBondContact O-N 3.37Å; A154-M158 HydrophobicContact CB-CE 4.41Å; A154-M158 VanDerWaalsContact O-CG 3.25Å; A154-M158 WeakPolarHBondContact O-CG 3.35Å; A154-M158 PolarHBondContact O-N 3.33Å
155L86.3Confident84.2Confident82 Ų8264.4 Ų64.443%0.42935%0.349SS..Hα-helixtrans-65.3-34.7179.9-70.5172.6000112.5W151 S157 M158 L159W151-L155 VanDerWaalsContact O-CB 3.3Å; W151-L155 WeakPolarHBondContact O-CB 3.32Å; W151-L155 WeakPolarHBondContact O-CG 3.3Å; W151-L155 PolarHBondContact O-N 3.06Å; L155-S157 VanDerWaalsContact C-N 3.3Å; L155-S157 PolarHBondContact O-N 3.09Å; L155-M158 HydrophobicContact CD2-SD 4.38Å; L155-M158 PolarHBondContact O-N 3.01Å; L155-L159 VanDerWaalsContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.31Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.13Å; L155-L159 PolarHBondContact O-N 2.91Å
156S84.4Confident84.2Confident88 Ų8862.2 Ų62.262%0.61535%0.347SS*.Hα-helixtrans-58.6-43176.7-179.60000111.8A152 F153 A154A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.48Å; A152-S156 PolarHBondContact O-N 3.07Å; F153-S156 PolarHBondContact O-N 3.32Å; A154-S156 VanDerWaalsContact C-N 3.33Å; A154-S156 PolarHBondContact O-N 3.22Å
157S81.8Confident84.4Confident51 Ų5163.5 Ų63.536%0.35736%0.36SS..Hα-helixtrans-70.7-48.7175.1-174.90000111.4F153 A154 L155 L159 C160F153-S157 PolarHBondContact O-N 3.37Å; A154-S157 PolarHBondContact O-N 3.37Å; L155-S157 VanDerWaalsContact C-N 3.3Å; L155-S157 PolarHBondContact O-N 3.09Å; S157-L159 VanDerWaalsContact C-N 3.26Å; S157-L159 PolarHBondContact O-N 2.87Å; S157-C160 VanDerWaalsContact O-CB 3.28Å; S157-C160 WeakPolarHBondContact O-CB 3.41Å; S157-C160 PolarHBondContact O-N 3.13Å
158M86.3Confident84.3Confident14 Ų1462.9 Ų62.97%0.06936%0.362CS..Hα-helixtrans-59.2-35.3-177.6-69.6175.1-179.500113.4T71 W74 F124 A154 L155 P162T71-M158 HydrophobicContact CG2-CE 3.8Å; T71-M158 HydrophobicContact CG2-CG 4.47Å; W74-M158 HydrophobicContact CB-CE 4.48Å; W74-M158 HydrophobicContact CB-CG 4.21Å; W74-M158 HydrophobicContact CG-CB 4.26Å; W74-M158 HydrophobicContact CG-CG 3.89Å; W74-M158 PolarHBondContact NE1-O 2.89Å; F124-M158 HydrophobicContact CE2-CE 3.86Å; F124-M158 HydrophobicContact CZ-CE 4.41Å; A154-M158 HydrophobicContact CB-CE 4.41Å; A154-M158 VanDerWaalsContact O-CG 3.25Å; A154-M158 WeakPolarHBondContact O-CG 3.35Å; A154-M158 PolarHBondContact O-N 3.33Å; L155-M158 HydrophobicContact CD2-SD 4.38Å; L155-M158 PolarHBondContact O-N 3.01Å; M158-P162 VanDerWaalsContact O-CD 3.24Å; M158-P162 WeakPolarHBondContact O-CD 3.39Å
159L86.5Confident84.2Confident86 Ų8662 Ų6245%0.4535%0.349SS..Hα-helixtrans-81.4-16.4179.9-69.1173.5000113.2L155 S157 V161 P162 L163L155-L159 VanDerWaalsContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.31Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.13Å; L155-L159 PolarHBondContact O-N 2.91Å; S157-L159 VanDerWaalsContact C-N 3.26Å; S157-L159 PolarHBondContact O-N 2.87Å; L159-V161 PolarHBondContact O-N 2.86Å; L159-P162 VanDerWaalsContact O-CD 3.27Å; L159-P162 WeakPolarHBondContact O-CD 3.29Å; L159-P162 WeakPolarHBondContact O-CG 3.1Å; L159-L163 HydrophobicContact CB-CD1 3.8Å; L159-L163 HydrophobicContact CB-CG 4.2Å; L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 WeakPolarHBondContact O-CD1 3.48Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 3.22Å
160C85.4Confident84.2Confident81 Ų8163.1 Ų63.155%0.54736%0.357SS..Hα-helixtrans-58.2-46.6-176.9-1710000112S157 H164S157-C160 VanDerWaalsContact O-CB 3.28Å; S157-C160 WeakPolarHBondContact O-CB 3.41Å; S157-C160 PolarHBondContact O-N 3.13Å; C160-H164 VanDerWaalsContact O-CB 3.23Å; C160-H164 WeakPolarHBondContact O-CB 3.46Å; C160-H164 PolarHBondContact O-N 3.46Å
161V85.1Confident84.1Confident43 Ų4373.7 Ų73.726%0.26140%0.397SS..Hα-helixtrans-61.9-56.5179.31780000112.6W78 L159 L163 H164 L165W78-V161 HydrophobicContact CB-CG1 4.19Å; W78-V161 HydrophobicContact CD2-CG1 4.47Å; W78-V161 HydrophobicContact CG-CG1 4.19Å; L159-V161 PolarHBondContact O-N 2.86Å; V161-L163 PolarHBondContact O-N 2.96Å; V161-H164 PolarHBondContact O-N 3.46Å; V161-L165 PolarHBondContact O-N 2.9Å
162P82.9Confident83.9Confident40 Ų4071.2 Ų71.226%0.2639%0.392SS..Hα-helixtrans-66.6-34.9179.725.2-34.6000112.8M158 L159 L165 L166M158-P162 VanDerWaalsContact O-CD 3.24Å; M158-P162 WeakPolarHBondContact O-CD 3.39Å; L159-P162 VanDerWaalsContact O-CD 3.27Å; L159-P162 WeakPolarHBondContact O-CD 3.29Å; L159-P162 WeakPolarHBondContact O-CG 3.1Å; P162-L165 PolarHBondContact O-N 3.46Å; P162-L166 WeakPolarHBondContact O-CB 3.41Å; P162-L166 PolarHBondContact O-N 3.35Å
163L85.8Confident83.1Confident104 Ų10478.3 Ų78.355%0.54541%0.412SS..Hα-helixtrans-67.1-38176-71174.5000111.9L159 V161 L166 G167L159-L163 HydrophobicContact CB-CD1 3.8Å; L159-L163 HydrophobicContact CB-CG 4.2Å; L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 WeakPolarHBondContact O-CD1 3.48Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 3.22Å; V161-L163 PolarHBondContact O-N 2.96Å; L163-L166 PolarHBondContact O-N 3.27Å; L163-G167 PolarHBondContact O-N 3.47Å
164H83.8Confident82.9Confident130 Ų13075.7 Ų75.760%0.60241%0.412SS*.Hα-helixtrans-64.9-44.9175.2-16880.3000111.2C160 V161 L166 G167 C168C160-H164 VanDerWaalsContact O-CB 3.23Å; C160-H164 WeakPolarHBondContact O-CB 3.46Å; C160-H164 PolarHBondContact O-N 3.46Å; V161-H164 PolarHBondContact O-N 3.46Å; H164-L166 PolarHBondContact O-N 2.81Å; H164-G167 PolarHBondContact O-N 2.9Å; H164-C168 PolarHBondContact O-N 3.06Å
165L83.7Confident82.9Confident71 Ų7179.5 Ų79.537%0.37244%0.435SS..Hα-helixtrans-57.8-48.2174.5-178.566.7000111.5V161 P162 C168 L169 W180V161-L165 PolarHBondContact O-N 2.9Å; P162-L165 PolarHBondContact O-N 3.46Å; L165-C168 PolarHBondContact O-N 3.42Å; L165-L169 HydrophobicContact CD1-CD1 4.46Å; L165-L169 HydrophobicContact CG-CD1 4.12Å; L165-L169 WeakPolarHBondContact O-CB 3.13Å; L165-L169 WeakPolarHBondContact O-CG 3.3Å; L165-L169 PolarHBondContact O-N 2.97Å; L165-W180 HydrophobicContact CD1-CZ3 4Å; L165-W180 HydrophobicContact CD2-CZ3 4.35Å
166L85.4Confident82.4Confident93 Ų9381.9 Ų81.949%0.48745%0.446SS..Hα-helixtrans-63.4-42.9178-171.469000111.3P162 L163 H164 C168 L169 L170P162-L166 WeakPolarHBondContact O-CB 3.41Å; P162-L166 PolarHBondContact O-N 3.35Å; L163-L166 PolarHBondContact O-N 3.27Å; H164-L166 PolarHBondContact O-N 2.81Å; L166-C168 PolarHBondContact O-N 3.32Å; L166-L169 PolarHBondContact O-N 3.31Å; L166-L170 HydrophobicContact CG-CD1 4.06Å; L166-L170 HydrophobicContact CG-CG 4.41Å; L166-L170 WeakPolarHBondContact O-CB 3.45Å; L166-L170 VanDerWaalsContact O-CG 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 3.31Å
167G84.3Confident82.1Confident27 Ų2780.7 Ų80.728%0.27844%0.442SS..Hα-helixtrans-60.3-42.6176.300000112.6L163 H164 L170 R171L163-G167 PolarHBondContact O-N 3.47Å; H164-G167 PolarHBondContact O-N 2.9Å; G167-L170 PolarHBondContact O-N 3.44Å; G167-R171 WeakPolarHBondContact O-CB 3.25Å; G167-R171 VanDerWaalsContact O-CG 3.3Å; G167-R171 WeakPolarHBondContact O-CG 3.37Å; G167-R171 PolarHBondContact O-N 3.48Å
168C81.1Confident82.1Confident43 Ų4383.4 Ų83.429%0.29145%0.449SS..Hα-helixtrans-65.7-41.6174.2-74.70000111.9H164 L165 L166 L170 R171 A172 L183H164-C168 PolarHBondContact O-N 3.06Å; L165-C168 PolarHBondContact O-N 3.42Å; L166-C168 PolarHBondContact O-N 3.32Å; C168-L170 PolarHBondContact O-N 2.88Å; C168-R171 PolarHBondContact O-N 3.04Å; C168-A172 WeakPolarHBondContact O-CB 3.41Å; C168-A172 PolarHBondContact O-N 3.45Å; C168-L183 HydrophobicContact CB-CD1 4.12Å; C168-L183 HydrophobicContact CB-CD2 3.94Å
169L82.7Confident81.9Confident33 Ų3385.1 Ų85.117%0.17345%0.454CS..Hα-helixtrans-64.2-37.4176.6-79.7165.4000113.1L165 L166 R179 W180 L183L165-L169 HydrophobicContact CD1-CD1 4.46Å; L165-L169 HydrophobicContact CG-CD1 4.12Å; L165-L169 WeakPolarHBondContact O-CB 3.13Å; L165-L169 WeakPolarHBondContact O-CG 3.3Å; L165-L169 PolarHBondContact O-N 2.97Å; L166-L169 PolarHBondContact O-N 3.31Å; L169-R179 HydrophobicContact CD2-CB 4.37Å; L169-R179 WeakPolarHBondContact O-CD 3.46Å; L169-R179 PolarHBondContact O-NH1 3.36Å; L169-W180 HydrophobicContact CD1-CE3 4.42Å; L169-W180 HydrophobicContact CD1-CZ3 4.44Å; L169-W180 HydrophobicContact CD2-CE3 4.18Å; L169-L183 HydrophobicContact CD2-CD1 3.75Å; L169-L183 HydrophobicContact CG-CD1 3.94Å
170L83.9Confident81.6Confident116 Ų11686.2 Ų86.261%0.60745%0.452SS*.Hα-helixtrans-74.5-34.5178.5-69.1175.1000112.5L166 G167 C168L166-L170 HydrophobicContact CG-CD1 4.06Å; L166-L170 HydrophobicContact CG-CG 4.41Å; L166-L170 WeakPolarHBondContact O-CB 3.45Å; L166-L170 VanDerWaalsContact O-CG 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 3.31Å; G167-L170 PolarHBondContact O-N 3.44Å; C168-L170 PolarHBondContact O-N 2.88Å
171R79.9Confident81.4Confident222 Ų22288 Ų8884%0.83845%0.453SS*.Hα-helixtrans-81.3-24.9179.7-71.7177.4-179.2-179.11.7113.9G167 C168G167-R171 WeakPolarHBondContact O-CB 3.25Å; G167-R171 VanDerWaalsContact O-CG 3.3Å; G167-R171 WeakPolarHBondContact O-CG 3.37Å; G167-R171 PolarHBondContact O-N 3.48Å; C168-R171 PolarHBondContact O-N 3.04Å
172A79.4Confident81.2Confident21 Ų2192.3 Ų92.317%0.17447%0.47CS..SBendtrans-65.5137177.400000111C168 R179 L183C168-A172 WeakPolarHBondContact O-CB 3.41Å; C168-A172 PolarHBondContact O-N 3.45Å; A172-R179 HydrophobicContact CB-CB 3.97Å; A172-R179 HydrophobicContact CB-CG 3.68Å; A172-R179 WeakPolarHBondContact O-CD 3.22Å; A172-R179 PolarHBondContact O-NE 2.91Å; A172-R179 PolarHBondContact O-NH1 3.35Å; A172-R179 VanDerWaalsContact O-NH1 3.15Å; A172-L183 HydrophobicContact CB-CD1 4.46Å
173K69.6Low81Confident203 Ų20393.6 Ų93.688%0.88347%0.474SS*.  trans-86.9142.2176.6-64.9-179.5179.3177.50109.5
174G77.3Confident80.8Confident40 Ų4090.5 Ų90.541%0.41246%0.46SS..SBendtrans122.2-168.317700000114.3R179G174-R179 VanDerWaalsContact O-CZ 3.25Å; G174-R179 PolarHBondContact O-NE 3.38Å; G174-R179 PolarHBondContact O-NH2 2.85Å
175T85.4Confident80.7Confident81 Ų8190.5 Ų90.550%0.49746%0.46SS..  trans-78.4157.717361.20000111.6A177 E178 R179T175-A177 PolarHBondContact O-N 2.96Å; T175-E178 PolarHBondContact N-OE2 3.14Å; T175-E178 PolarHBondContact O-N 2.87Å; T175-E178 VanDerWaalsContact OG1-CG 3.24Å; T175-E178 WeakPolarHBondContact OG1-CG 2.92Å; T175-E178 PolarHBondContact OG1-OE2 3.45Å; T175-R179 VanDerWaalsContact O-CG 3.28Å; T175-R179 WeakPolarHBondContact O-CG 3.35Å; T175-R179 PolarHBondContact O-N 3.19Å
176M75.1Confident80.5Confident132 Ų13288.6 Ų88.665%0.6545%0.452SS*.Hα-helixtrans-57.3-35-175-70.3-63.6-175.900113.5W180M176-W180 PolarHBondContact O-N 3.2Å; M176-W180 VanDerWaalsContact O-N 3.13Å
177A78.9Confident80.1Confident63 Ų6392.2 Ų92.252%0.52147%0.47SS..Hα-helixtrans-71.8-43.8178.100000112.3T175 R179 W180 Q181T175-A177 PolarHBondContact O-N 2.96Å; A177-R179 VanDerWaalsContact C-N 3.34Å; A177-R179 PolarHBondContact O-N 3.43Å; A177-W180 PolarHBondContact O-N 2.8Å; A177-Q181 WeakPolarHBondContact O-CB 3.3Å; A177-Q181 WeakPolarHBondContact O-CG 3.4Å; A177-Q181 PolarHBondContact O-N 3.15Å
178E81.3Confident79.5Confident108 Ų10894.4 Ų94.451%0.50547%0.47SS..Hα-helixtrans-64.6-39.5176.8-69165.5156.900111.5T175 Q181 H182T175-E178 PolarHBondContact N-OE2 3.14Å; T175-E178 PolarHBondContact O-N 2.87Å; T175-E178 VanDerWaalsContact OG1-CG 3.24Å; T175-E178 WeakPolarHBondContact OG1-CG 2.92Å; T175-E178 PolarHBondContact OG1-OE2 3.45Å; E178-Q181 PolarHBondContact O-N 3.21Å; E178-H182 VanDerWaalsContact O-CB 3.27Å; E178-H182 WeakPolarHBondContact O-CB 3.45Å; E178-H182 PolarHBondContact O-N 3.48Å
179R83.1Confident79Confident50 Ų5094 Ų9419%0.18947%0.473CS..Hα-helixtrans-61.2-46.9175-67.3177-162.3-157.80.1111.4L169 A172 G174 T175 A177 H182 L183L169-R179 HydrophobicContact CD2-CB 4.37Å; L169-R179 WeakPolarHBondContact O-CD 3.46Å; L169-R179 PolarHBondContact O-NH1 3.36Å; A172-R179 HydrophobicContact CB-CB 3.97Å; A172-R179 HydrophobicContact CB-CG 3.68Å; A172-R179 WeakPolarHBondContact O-CD 3.22Å; A172-R179 PolarHBondContact O-NE 2.91Å; A172-R179 PolarHBondContact O-NH1 3.35Å; A172-R179 VanDerWaalsContact O-NH1 3.15Å; G174-R179 VanDerWaalsContact O-CZ 3.25Å; G174-R179 PolarHBondContact O-NE 3.38Å; G174-R179 PolarHBondContact O-NH2 2.85Å; T175-R179 VanDerWaalsContact O-CG 3.28Å; T175-R179 WeakPolarHBondContact O-CG 3.35Å; T175-R179 PolarHBondContact O-N 3.19Å; A177-R179 VanDerWaalsContact C-N 3.34Å; A177-R179 PolarHBondContact O-N 3.43Å; R179-H182 PolarHBondContact O-N 3.34Å; R179-L183 WeakPolarHBondContact O-CB 2.87Å; R179-L183 WeakPolarHBondContact O-CG 3.2Å; R179-L183 PolarHBondContact O-N 2.8Å
180W80Confident78.2Confident109 Ų10998.7 Ų98.741%0.41350%0.497SS..Hα-helixtrans-62.5-46.2177.9-177.4-99.3000111.3L165 L169 M176 A177 H182 L183 T184L165-W180 HydrophobicContact CD1-CZ3 4Å; L165-W180 HydrophobicContact CD2-CZ3 4.35Å; L169-W180 HydrophobicContact CD1-CE3 4.42Å; L169-W180 HydrophobicContact CD1-CZ3 4.44Å; L169-W180 HydrophobicContact CD2-CE3 4.18Å; M176-W180 PolarHBondContact O-N 3.2Å; M176-W180 VanDerWaalsContact O-N 3.13Å; A177-W180 PolarHBondContact O-N 2.8Å; W180-H182 VanDerWaalsContact C-N 3.34Å; W180-H182 PolarHBondContact O-N 2.92Å; W180-L183 PolarHBondContact O-N 2.58Å; W180-T184 HydrophobicContact CD2-CG2 4.02Å; W180-T184 HydrophobicContact CG-CG2 4.38Å; W180-T184 HydrophobicContact CH2-CG2 4.45Å; W180-T184 HydrophobicContact CZ2-CG2 3.83Å; W180-T184 WeakPolarHBondContact O-CB 3.28Å; W180-T184 VanDerWaalsContact O-CG2 3.31Å; W180-T184 WeakPolarHBondContact O-CG2 3.27Å; W180-T184 PolarHBondContact O-N 3.08Å; W180-T184 PolarHBondContact O-OG1 2.87Å
181Q80.6Confident77.4Confident120 Ų120100.5 Ų100.556%0.56150%0.502SS*.Hα-helixtrans-61-42.8176.9-74.1177.3-8.200111.9A177 E178 T184 Q185A177-Q181 WeakPolarHBondContact O-CB 3.3Å; A177-Q181 WeakPolarHBondContact O-CG 3.4Å; A177-Q181 PolarHBondContact O-N 3.15Å; E178-Q181 PolarHBondContact O-N 3.21Å; Q181-T184 PolarHBondContact O-N 3.23Å; Q181-T184 PolarHBondContact O-OG1 3.01Å; Q181-Q185 VanDerWaalsContact O-CG 3.28Å; Q181-Q185 WeakPolarHBondContact O-CG 3.2Å; Q181-Q185 PolarHBondContact O-N 2.62Å
182H80.1Confident76.8Confident133 Ų13394.1 Ų94.162%0.61648%0.482SS*.Hα-helixtrans-66.4-39.5177.7-175.7-72.7000112.2E178 R179 W180E178-H182 VanDerWaalsContact O-CB 3.27Å; E178-H182 WeakPolarHBondContact O-CB 3.45Å; E178-H182 PolarHBondContact O-N 3.48Å; R179-H182 PolarHBondContact O-N 3.34Å; W180-H182 VanDerWaalsContact C-N 3.34Å; W180-H182 PolarHBondContact O-N 2.92Å
183L80.7Confident76.2Confident66 Ų6697.4 Ų97.435%0.34650%0.496SS..Hα-helixtrans-74.8-25.5-179.7-71.4169.8000113.5C168 L169 A172 R179 W180C168-L183 HydrophobicContact CB-CD1 4.12Å; C168-L183 HydrophobicContact CB-CD2 3.94Å; L169-L183 HydrophobicContact CD2-CD1 3.75Å; L169-L183 HydrophobicContact CG-CD1 3.94Å; A172-L183 HydrophobicContact CB-CD1 4.46Å; R179-L183 WeakPolarHBondContact O-CB 2.87Å; R179-L183 WeakPolarHBondContact O-CG 3.2Å; R179-L183 PolarHBondContact O-N 2.8Å; W180-L183 PolarHBondContact O-N 2.58Å
184T81.6Confident76.1Confident39 Ų3992.9 Ų92.924%0.23948%0.478CS..THydrogen-bonded Turntrans-92.5-1.2179.354.30000113.3V86 W180 Q181 P186V86-T184 HydrophobicContact CG1-CG2 3.56Å; W180-T184 HydrophobicContact CD2-CG2 4.02Å; W180-T184 HydrophobicContact CG-CG2 4.38Å; W180-T184 HydrophobicContact CH2-CG2 4.45Å; W180-T184 HydrophobicContact CZ2-CG2 3.83Å; W180-T184 WeakPolarHBondContact O-CB 3.28Å; W180-T184 VanDerWaalsContact O-CG2 3.31Å; W180-T184 WeakPolarHBondContact O-CG2 3.27Å; W180-T184 PolarHBondContact O-N 3.08Å; W180-T184 PolarHBondContact O-OG1 2.87Å; Q181-T184 PolarHBondContact O-N 3.23Å; Q181-T184 PolarHBondContact O-OG1 3.01Å; T184-P186 VanDerWaalsContact O-CD 3.29Å; T184-P186 WeakPolarHBondContact O-CD 3.34Å
185Q80Confident75.5Confident130 Ų13096 Ų9661%0.60748%0.478SS*.SBendtrans-74.8116.5171.5-81.4170.719.600110.1Q181Q181-Q185 VanDerWaalsContact O-CG 3.28Å; Q181-Q185 WeakPolarHBondContact O-CG 3.2Å; Q181-Q185 PolarHBondContact O-N 2.62Å
186P79.9Confident74.5Confident32 Ų3297.7 Ų97.721%0.20848%0.475CS..PPolyproline II helixtrans-68.4143.8175.429.8-35.5000110.3Y87 T184 W188Y87-P186 HydrophobicContact CD2-CB 4.22Å; Y87-P186 HydrophobicContact CD2-CG 4.48Å; Y87-P186 HydrophobicContact CE2-CB 3.8Å; Y87-P186 HydrophobicContact CE2-CG 4.03Å; T184-P186 VanDerWaalsContact O-CD 3.29Å; T184-P186 WeakPolarHBondContact O-CD 3.34Å; P186-W188 HydrophobicContact CB-CZ2 4.41Å; P186-W188 HydrophobicContact CG-CH2 3.82Å; P186-W188 HydrophobicContact CG-CZ2 3.38Å; P186-W188 PolarHBondContact O-N 2.97Å; P186-W188 PolarHBondContact O-NE1 2.75Å
187I76.8Confident73.9Confident168 Ų16894.2 Ų94.286%0.86247%0.468SS*.PPolyproline II helixtrans-79.4119.1174.9-57.3170.9000107.7
188W73.1Confident73.2Confident73 Ų7397.3 Ų97.328%0.27747%0.472SS..PPolyproline II helixtrans-86.7120.6178.6-56.8102.3000110.3P186 H192 L193 R196P186-W188 HydrophobicContact CB-CZ2 4.41Å; P186-W188 HydrophobicContact CG-CH2 3.82Å; P186-W188 HydrophobicContact CG-CZ2 3.38Å; P186-W188 PolarHBondContact O-N 2.97Å; P186-W188 PolarHBondContact O-NE1 2.75Å; W188-H192 HydrophobicContact CE3-CB 3.9Å; W188-L193 HydrophobicContact CB-CD2 4.08Å; W188-L193 HydrophobicContact CB-CG 4.3Å; W188-R196 VanDerWaalsContact CZ2-NH2 3.3Å
189G70.2Confident72.3Confident34 Ų3494.9 Ų94.935%0.35146%0.462SS..PPolyproline II helixtrans-74.8161.8167.300000112.5H191 H192 L193G189-H191 VanDerWaalsContact C-N 3.29Å; G189-H191 PolarHBondContact O-N 2.91Å; G189-H192 WeakPolarHBondContact O-CB 3.42Å; G189-H192 PolarHBondContact O-N 3Å; G189-L193 PolarHBondContact O-N 3.04Å
190L65.9Low71.5Confident132 Ų13295.6 Ų95.669%0.69148%0.478SS*.Hα-helixtrans-50.8-44.2179.8-109.6149.2000112.9H192 L193 E194L190-H192 VanDerWaalsContact C-N 3.31Å; L190-H192 PolarHBondContact O-N 3.41Å; L190-L193 WeakPolarHBondContact O-CB 3.35Å; L190-L193 PolarHBondContact O-N 3.47Å; L190-L193 VanDerWaalsContact O-N 3.08Å; L190-E194 PolarHBondContact O-N 3.38Å
191H66.9Low71Confident154 Ų15496 Ų9671%0.71349%0.489SS*.Hα-helixtrans-62.3-32.5178.5-67.7-56000114.1G189 L193 E194 Y195G189-H191 VanDerWaalsContact C-N 3.29Å; G189-H191 PolarHBondContact O-N 2.91Å; H191-L193 VanDerWaalsContact C-N 3.32Å; H191-E194 IonicContact ND1-OE2 2.8Å; H191-Y195 PolarHBondContact O-N 3.47Å
192H67.3Low70.2Confident88 Ų8894.4 Ų94.441%0.40749%0.487SS..Hα-helixtrans-72.7-28.6176.4-62.1-79.7000112.1W188 G189 L190 R196W188-H192 HydrophobicContact CE3-CB 3.9Å; G189-H192 WeakPolarHBondContact O-CB 3.42Å; G189-H192 PolarHBondContact O-N 3Å; L190-H192 VanDerWaalsContact C-N 3.31Å; L190-H192 PolarHBondContact O-N 3.41Å; H192-R196 PolarHBondContact O-N 3.32Å
193L67.5Low69.5Low91 Ų9195.4 Ų95.448%0.47649%0.485SS..Hα-helixtrans-78.8-41.9179.1-63.9174.2000111.7W188 G189 L190 H191 Y195 R196 A197W188-L193 HydrophobicContact CB-CD2 4.08Å; W188-L193 HydrophobicContact CB-CG 4.3Å; G189-L193 PolarHBondContact O-N 3.04Å; L190-L193 WeakPolarHBondContact O-CB 3.35Å; L190-L193 PolarHBondContact O-N 3.47Å; L190-L193 VanDerWaalsContact O-N 3.08Å; H191-L193 VanDerWaalsContact C-N 3.32Å; L193-Y195 VanDerWaalsContact C-N 3.3Å; L193-Y195 PolarHBondContact O-N 2.87Å; L193-R196 PolarHBondContact O-N 2.72Å; L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.48Å; L193-A197 PolarHBondContact O-N 3.29Å
194E66Low68.8Low108 Ų10893.6 Ų93.651%0.50548%0.483SS..Hα-helixtrans-57.1-44.7175.2-73.9174.2163.700111.4L190 H191 A197 Q198L190-E194 PolarHBondContact O-N 3.38Å; H191-E194 IonicContact ND1-OE2 2.8Å; E194-A197 PolarHBondContact O-N 2.85Å; E194-Q198 PolarHBondContact O-N 3.43Å; E194-Q198 VanDerWaalsContact O-N 3.08Å
195Y65.2Low67.9Low105 Ų10597 Ų9741%0.41250%0.499SS..Hα-helixtrans-67.3-46178.6-170.9-89.3000112.4C98 H191 L193 A197 Q198 D199C98-Y195 WeakPolarHBondContact SG-CE1 3.26Å; H191-Y195 PolarHBondContact O-N 3.47Å; L193-Y195 VanDerWaalsContact C-N 3.3Å; L193-Y195 PolarHBondContact O-N 2.87Å; Y195-A197 VanDerWaalsContact C-N 3.29Å; Y195-A197 PolarHBondContact O-N 3.22Å; Y195-Q198 PolarHBondContact O-N 2.95Å; Y195-D199 PolarHBondContact O-N 3.29Å
196R64.6Low66.9Low116 Ų11694.9 Ų94.944%0.43850%0.495SS..Hα-helixtrans-63.6-34176.9-84.3-166.6179.6158.79.2113.2W188 H192 L193 A200W188-R196 VanDerWaalsContact CZ2-NH2 3.3Å; H192-R196 PolarHBondContact O-N 3.32Å; L193-R196 PolarHBondContact O-N 2.72Å; R196-A200 WeakPolarHBondContact O-CB 3.36Å; R196-A200 PolarHBondContact O-N 3.5Å
197A62.6Low65.9Low60 Ų6098.7 Ų98.750%0.49652%0.518SS..Hα-helixtrans-65.7-44.6175.300000111L193 E194 Y195 D199 A200 D201L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.48Å; L193-A197 PolarHBondContact O-N 3.29Å; E194-A197 PolarHBondContact O-N 2.85Å; Y195-A197 VanDerWaalsContact C-N 3.29Å; Y195-A197 PolarHBondContact O-N 3.22Å; A197-D199 PolarHBondContact O-N 2.95Å; A197-A200 PolarHBondContact O-N 3.13Å; A197-D201 PolarHBondContact O-N 3.11Å
198Q63Low65Low128 Ų12897.4 Ų97.460%0.59851%0.512SS*.Hα-helixtrans-60.1-44.7173.9-78.9176.8-21.100112.1E194 Y195 A200 D201 V202E194-Q198 PolarHBondContact O-N 3.43Å; E194-Q198 VanDerWaalsContact O-N 3.08Å; Y195-Q198 PolarHBondContact O-N 2.95Å; Q198-A200 VanDerWaalsContact C-N 3.29Å; Q198-A200 PolarHBondContact O-N 3.27Å; Q198-D201 PolarHBondContact O-N 3.37Å; Q198-V202 WeakPolarHBondContact O-CB 3.35Å; Q198-V202 VanDerWaalsContact O-CG2 3.25Å; Q198-V202 WeakPolarHBondContact O-CG2 3.42Å; Q198-V202 PolarHBondContact O-N 3.29Å
199D63.8Low63.9Low57 Ų5798.1 Ų98.131%0.30552%0.524SS..Hα-helixtrans-63.4-34.6179.3-124.930.4000112.9Y195 A197 R203Y195-D199 PolarHBondContact O-N 3.29Å; A197-D199 PolarHBondContact O-N 2.95Å; D199-R203 WeakPolarHBondContact O-CB 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.4Å; D199-R203 PolarHBondContact O-N 3.27Å; D199-R203 PolarHBondContact O-NE 3.17Å; D199-R203 IonicContact OD2-CZ 3.86Å; D199-R203 IonicContact OD2-NH2 3.58Å; D199-R203 PolarHBondContact OD2-NH2 3.04Å
200A65.8Low62.8Low64 Ų64101.9 Ų101.953%0.52954%0.543SS..Hα-helixtrans-73.7-41.5175.900000112R196 A197 Q198 R203 G204R196-A200 WeakPolarHBondContact O-CB 3.36Å; R196-A200 PolarHBondContact O-N 3.5Å; A197-A200 PolarHBondContact O-N 3.13Å; Q198-A200 VanDerWaalsContact C-N 3.29Å; Q198-A200 PolarHBondContact O-N 3.27Å; A200-R203 PolarHBondContact O-N 3.01Å; A200-G204 PolarHBondContact O-N 2.78Å
201D68.7Low61.8Low118 Ų118101.1 Ų101.163%0.63154%0.543SS*.Hα-helixtrans-66.1-44.2177-113.7-2.6000111.6A197 Q198 R203 G204 L205A197-D201 PolarHBondContact O-N 3.11Å; Q198-D201 PolarHBondContact O-N 3.37Å; D201-R203 VanDerWaalsContact C-N 3.34Å; D201-R203 PolarHBondContact O-N 2.72Å; D201-G204 PolarHBondContact O-N 3.25Å; D201-L205 WeakPolarHBondContact O-CB 3.29Å; D201-L205 WeakPolarHBondContact O-CD1 3.28Å; D201-L205 WeakPolarHBondContact O-CG 3.38Å; D201-L205 PolarHBondContact O-N 3.46Å
202V65.3Low60.5Low87 Ų8799 Ų9953%0.52755%0.546SS..Hα-helixtrans-60.8-44.1175.8172.50000110.7Q198 L205 T206Q198-V202 WeakPolarHBondContact O-CB 3.35Å; Q198-V202 VanDerWaalsContact O-CG2 3.25Å; Q198-V202 WeakPolarHBondContact O-CG2 3.42Å; Q198-V202 PolarHBondContact O-N 3.29Å; V202-L205 PolarHBondContact O-N 2.89Å; V202-T206 PolarHBondContact O-N 2.99Å; V202-T206 PolarHBondContact O-OG1 2.76Å
203R63.8Low59.1Low153 Ų153103.7 Ų103.758%0.57757%0.568SS**Hα-helixtrans-62.4-43.5174.8-80.7-177.2-117.4-164-4.6112D199 A200 D201 L205 T206 T207D199-R203 WeakPolarHBondContact O-CB 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.4Å; D199-R203 PolarHBondContact O-N 3.27Å; D199-R203 PolarHBondContact O-NE 3.17Å; D199-R203 IonicContact OD2-CZ 3.86Å; D199-R203 IonicContact OD2-NH2 3.58Å; D199-R203 PolarHBondContact OD2-NH2 3.04Å; A200-R203 PolarHBondContact O-N 3.01Å; D201-R203 VanDerWaalsContact C-N 3.34Å; D201-R203 PolarHBondContact O-N 2.72Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 2.87Å; R203-T206 VanDerWaalsContact CA-OG1 3.31Å; R203-T206 WeakPolarHBondContact CA-OG1 3.31Å; R203-T206 PolarHBondContact O-N 2.88Å; R203-T206 PolarHBondContact O-OG1 2.89Å; R203-T207 PolarHBondContact O-N 2.92Å; R203-T207 PolarHBondContact O-OG1 3.13Å
204G67.4Low57.6Low28 Ų28103.8 Ų103.829%0.28958%0.576SS.*Hα-helixtrans-58.1-44.317500000112.7A200 D201 T207 L208A200-G204 PolarHBondContact O-N 2.78Å; D201-G204 PolarHBondContact O-N 3.25Å; G204-T207 WeakPolarHBondContact CA-OG1 3.33Å; G204-T207 PolarHBondContact O-N 3.15Å; G204-T207 PolarHBondContact O-OG1 3.34Å; G204-L208 WeakPolarHBondContact O-CG 3.24Å; G204-L208 PolarHBondContact O-N 2.95Å; G204-L208 VanDerWaalsContact O-N 3.17Å
205L61.7Low56.2Low112 Ų112103.7 Ų103.759%0.58659%0.588SS**Hα-helixtrans-63.3-44.6175.4-78.1154.6000112.1D201 V202 R203 T207 L208 T209D201-L205 WeakPolarHBondContact O-CB 3.29Å; D201-L205 WeakPolarHBondContact O-CD1 3.28Å; D201-L205 WeakPolarHBondContact O-CG 3.38Å; D201-L205 PolarHBondContact O-N 3.46Å; V202-L205 PolarHBondContact O-N 2.89Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 2.87Å; L205-T207 VanDerWaalsContact C-N 3.29Å; L205-T207 PolarHBondContact O-N 2.96Å; L205-L208 PolarHBondContact O-N 3.5Å; L205-L208 VanDerWaalsContact O-N 3.13Å; L205-T209 PolarHBondContact O-N 3.41Å; L205-T209 VanDerWaalsContact O-N 3.11Å; L205-T209 PolarHBondContact O-OG1 3.18Å
206T60.2Low54.7Low84 Ų84108.7 Ų108.752%0.51561%0.612SS.*Hα-helixtrans-65-29.3175.8480000113.7V202 R203 T209V202-T206 PolarHBondContact O-N 2.99Å; V202-T206 PolarHBondContact O-OG1 2.76Å; R203-T206 VanDerWaalsContact CA-OG1 3.31Å; R203-T206 WeakPolarHBondContact CA-OG1 3.31Å; R203-T206 PolarHBondContact O-N 2.88Å; R203-T206 PolarHBondContact O-OG1 2.89Å; T206-T209 CarbonylContact O-C 3.57Å
207T58.8Low53.3Low113 Ų113110.1 Ų110.169%0.69363%0.633SS**Hα-helixtrans-75.2-24.3173.850.10000113.4R203 G204 L205R203-T207 PolarHBondContact O-N 2.92Å; R203-T207 PolarHBondContact O-OG1 3.13Å; G204-T207 WeakPolarHBondContact CA-OG1 3.33Å; G204-T207 PolarHBondContact O-N 3.15Å; G204-T207 PolarHBondContact O-OG1 3.34Å; L205-T207 VanDerWaalsContact C-N 3.29Å; L205-T207 PolarHBondContact O-N 2.96Å
208L58Low52.1Low141 Ų141113.8 Ų113.874%0.73865%0.649SS**Hα-helixtrans-84.5-20.7176.4-67.8171.2000112.7G204 L205 P210G204-L208 WeakPolarHBondContact O-CG 3.24Å; G204-L208 PolarHBondContact O-N 2.95Å; G204-L208 VanDerWaalsContact O-N 3.17Å; L205-L208 PolarHBondContact O-N 3.5Å; L205-L208 VanDerWaalsContact O-N 3.13Å; L208-P210 VanDerWaalsContact O-CD 3.29Å; L208-P210 WeakPolarHBondContact O-CD 3.48Å
209T48.7Very low50.7Low87 Ų87114.1 Ų114.153%0.53466%0.659SS.*SBendtrans-103.590.716957.70000109.5L205 T206 V211L205-T209 PolarHBondContact O-N 3.41Å; L205-T209 VanDerWaalsContact O-N 3.11Å; L205-T209 PolarHBondContact O-OG1 3.18Å; T206-T209 CarbonylContact O-C 3.57Å; T209-V211 PolarHBondContact O-N 3.18Å
210P47.2Very low49.4Very low114 Ų114118 Ų11874%0.7468%0.684SS**  trans-59.9119.8166.827.4-30.3000106.3L208 S212L208-P210 VanDerWaalsContact O-CD 3.29Å; L208-P210 WeakPolarHBondContact O-CD 3.48Å; P210-S212 PolarHBondContact O-N 3.01Å
211V45.7Very low47.9Very low115 Ų115123.5 Ų123.570%0.69770%0.699SS**  trans-55.9106.7173174.60000106.5T209 E213T209-V211 PolarHBondContact O-N 3.18Å; V211-E213 HydrophobicContact CG1-CB 4.24Å; V211-E213 HydrophobicContact CG1-CG 3.89Å; V211-E213 PolarHBondContact O-N 2.93Å
212S39.4Very low46.4Very low110 Ų110123.6 Ų123.677%0.76971%0.709SS**  trans-65.389.1158.2179.50000105.7P210 S214P210-S212 PolarHBondContact O-N 3.01Å; S212-S214 PolarHBondContact O-N 2.71Å
213E37.8Very low45.3Very low186 Ų186125.3 Ų125.387%0.86972%0.72SS**  trans-73.479.5170.6-118178.3-169.900107.7V211V211-E213 HydrophobicContact CG1-CB 4.24Å; V211-E213 HydrophobicContact CG1-CG 3.89Å; V211-E213 PolarHBondContact O-N 2.93Å
214S36.5Very low43.8Very low93 Ų93130.5 Ų130.565%0.6575%0.754SS**  trans-120.5126.8157.3-178.70000107S212S212-S214 PolarHBondContact O-N 2.71Å
215S35.6Very low42.7Very low107 Ų107135.6 Ų135.675%0.74878%0.777SS**  trans9471.5170.5-39.80000117.2
216K33.6Very low41.7Very low210 Ų210136.8 Ų136.891%0.91379%0.787SS**  trans-15270.3139.3-71.5-161.1-178.4171.70111.5
217V35.4Very low40.6Very low145 Ų145139.8 Ų139.888%0.87980%0.802SS**  trans-134.763.2158.1-1730000108.4
218V37Very low39.6Very low137 Ų137141.4 Ų141.483%0.8381%0.808SS**  trans-156.4144.3156.8-174.70000105.9
219V34.3Very low38.4Very low136 Ų136141.4 Ų141.482%0.82481%0.813SS**  trans94.955.8177.9-155.80000115
220V36.9Very low37.7Very low137 Ų137145 Ų14583%0.8383%0.831SS**SBendtrans-129.6137136.4179.70000106
221E33.1Very low37Very low180 Ų180147.2 Ų147.284%0.84184%0.838SS**  trans8370.9-178.1-72.3173.4169.900117.7
222S38.6Very low36.4Very low121 Ų121149.7 Ų149.785%0.84685%0.849SS**  trans-103.796.7130.6167.40000106.1
223V41.6Very low36.1Very low122 Ų122153 Ų15374%0.73986%0.855SS**  trans175118.6147.5166.90000106.3
224M33.3Very low36Very low262 Ų262150 Ų150100%1.29185%0.854SS**  trans84.80-178.8-73.4-177.2149.700117.5

Retrieved 224 of 224 residues in 220.5 ms (Link to these results)

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