A0A087XGS8_POEFO Loading...

Dual oxidase maturation factor 2

AlphaFold DB , UniProt , Accession A0A087XGS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 322 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
1M44.5Very low64.4Low242 Ų242143.2 Ų143.2100%1.19269%0.69SS**  0930-91.7171.616700107.3
2T52.7Low64.7Low118 Ų118139.6 Ų139.672%0.72469%0.687SS**  trans-66.3132.5161.141.40000106.1Y4T2-Y4 PolarHBondContact O-N 2.66Å
3F56.3Low64.1Low186 Ų186140.2 Ų140.282%0.81669%0.693SS**SBendtrans-66.6-1.7-166.4-150-92.1000113.8
4Y58.9Low63.4Low110 Ų110142.4 Ų142.443%0.43170%0.701SS.*SBendtrans-146.9126.1-176.8-71.4-80.5000110.9T2 D6 F10T2-Y4 PolarHBondContact O-N 2.66Å; Y4-D6 VanDerWaalsContact C-N 3.34Å; Y4-D6 PolarHBondContact O-N 3.03Å; Y4-F10 HydrophobicContact CG-CD1 4.26Å
5D63.8Low62.5Low140 Ų140147.9 Ų147.975%0.74971%0.711SS**  trans-75.667.1-179-68.1-47.9000112.5I7D5-I7 WeakPolarHBondContact O-CG1 3.21Å; D5-I7 PolarHBondContact O-N 2.94Å
6D68.4Low61.7Low130 Ų130146.3 Ų146.370%0.69571%0.713SS**SBendtrans44.816.3168.2-73.4-28.4000118.3Y4 Y8Y4-D6 VanDerWaalsContact C-N 3.34Å; Y4-D6 PolarHBondContact O-N 3.03Å; D6-Y8 WeakPolarHBondContact O-CD2 3.38Å
7I69.5Low61.3Low132 Ų132142.5 Ų142.568%0.67771%0.712SS**  trans-92110.7-179.7-67.1152.7000108.4D5D5-I7 WeakPolarHBondContact O-CG1 3.21Å; D5-I7 PolarHBondContact O-N 2.94Å
8Y73.2Confident60.8Low163 Ų163141.2 Ų141.264%0.63970%0.701SS**SBendtrans-98.9139.6175.5-65.3-89.5000111D6 F10D6-Y8 WeakPolarHBondContact O-CD2 3.38Å; Y8-F10 HydrophobicContact CD1-CD2 4.09Å; Y8-F10 HydrophobicContact CD1-CE1 4.4Å; Y8-F10 AromaticContact CD1-CE2 3.65Å; Y8-F10 HydrophobicContact CD1-CE2 3.65Å; Y8-F10 AromaticContact CD1-CZ 3.82Å; Y8-F10 HydrophobicContact CD1-CZ 3.82Å; Y8-F10 AromaticContact CE1-CD2 3.99Å; Y8-F10 HydrophobicContact CE1-CD2 3.99Å; Y8-F10 HydrophobicContact CE1-CE1 4.13Å; Y8-F10 AromaticContact CE1-CE2 3.11Å; Y8-F10 HydrophobicContact CE1-CE2 3.11Å; Y8-F10 AromaticContact CE1-CZ 3.2Å; Y8-F10 HydrophobicContact CE1-CZ 3.2Å; Y8-F10 HydrophobicContact CE2-CZ 4.23Å; Y8-F10 AromaticContact CZ-CE2 3.84Å; Y8-F10 AromaticContact CZ-CZ 3.42Å; Y8-F10 VanDerWaalsContact CZ-CZ 3.42Å
9P76Confident61Low94 Ų94142.6 Ų142.661%0.6171%0.709SS**SBendcis-79.1140.4-2.430.8-33.3000113Y11P9-Y11 PolarHBondContact O-N 3.16Å; P9-Y11 VanDerWaalsContact O-N 3.16Å
10F73.1Confident61.4Low86 Ų86139.9 Ų139.938%0.37770%0.697SS.*SBendtrans-58.7-28.8-179.8-62.7-59.9000114.2Y4 Y8Y4-F10 HydrophobicContact CG-CD1 4.26Å; Y8-F10 HydrophobicContact CD1-CD2 4.09Å; Y8-F10 HydrophobicContact CD1-CE1 4.4Å; Y8-F10 AromaticContact CD1-CE2 3.65Å; Y8-F10 HydrophobicContact CD1-CE2 3.65Å; Y8-F10 AromaticContact CD1-CZ 3.82Å; Y8-F10 HydrophobicContact CD1-CZ 3.82Å; Y8-F10 AromaticContact CE1-CD2 3.99Å; Y8-F10 HydrophobicContact CE1-CD2 3.99Å; Y8-F10 HydrophobicContact CE1-CE1 4.13Å; Y8-F10 AromaticContact CE1-CE2 3.11Å; Y8-F10 HydrophobicContact CE1-CE2 3.11Å; Y8-F10 AromaticContact CE1-CZ 3.2Å; Y8-F10 HydrophobicContact CE1-CZ 3.2Å; Y8-F10 HydrophobicContact CE2-CZ 4.23Å; Y8-F10 AromaticContact CZ-CE2 3.84Å; Y8-F10 AromaticContact CZ-CZ 3.42Å; Y8-F10 VanDerWaalsContact CZ-CZ 3.42Å
11Y72.1Confident62.2Low174 Ų174135.3 Ų135.368%0.68268%0.678SS**SBendtrans-121.896.7170.7-61.6-81.2000107.2P9 L13P9-Y11 PolarHBondContact O-N 3.16Å; P9-Y11 VanDerWaalsContact O-N 3.16Å; Y11-L13 PolarHBondContact O-N 3.21Å
12P68.1Low64Low100 Ų100126 Ų12665%0.64964%0.644SS**  trans-55.9129171.223.2-31.7000108.1Q14P12-Q14 VanDerWaalsContact C-N 3.29Å; P12-Q14 PolarHBondContact O-N 3.36Å
13L56.6Low65.5Low147 Ų147127 Ų12777%0.7764%0.635SS**  trans-71.185.3-171.5-141101.5000109.6Y11 R15Y11-L13 PolarHBondContact O-N 3.21Å; L13-R15 HydrophobicContact CD2-CG 4.09Å; L13-R15 PolarHBondContact O-N 3.18Å; L13-R15 VanDerWaalsContact O-N 3.08Å
14Q54.5Low66.9Low172 Ų172119.8 Ų119.880%0.80460%0.604SS**  trans-80.492.3174.9-158.8162.71.400107.9P12 T16P12-Q14 VanDerWaalsContact C-N 3.29Å; P12-Q14 PolarHBondContact O-N 3.36Å; Q14-T16 PolarHBondContact O-N 3.07Å
15R49.7Very low68.3Low224 Ų224117.2 Ų117.285%0.84560%0.598SS**  trans-68.195175.1-71.1-173-179.6-1750.9109L13L13-R15 HydrophobicContact CD2-CG 4.09Å; L13-R15 PolarHBondContact O-N 3.18Å; L13-R15 VanDerWaalsContact O-N 3.08Å
16T49.6Very low69.5Low122 Ų122113 Ų11375%0.74858%0.583SS**PPolyproline II helixtrans-81.411716754.40000108.7Q14 F18Q14-T16 PolarHBondContact O-N 3.07Å; T16-F18 PolarHBondContact O-N 2.93Å
17A54.8Low70.5Confident83 Ų83107.9 Ų107.969%0.68656%0.555SS**PPolyproline II helixtrans-63.6129.5171.900000109.4I19A17-I19 PolarHBondContact O-N 3.33Å
18F53.2Low71.4Confident119 Ų119105.1 Ų105.152%0.52254%0.541SS..PPolyproline II helixtrans-73.1128.3176.6-168.6-120.1000109.2T16 I20 L25T16-F18 PolarHBondContact O-N 2.93Å; F18-I20 VanDerWaalsContact C-N 3.32Å; F18-I20 WeakPolarHBondContact CD1-O 3.31Å; F18-I20 HydrophobicContact CE1-CB 3.98Å; F18-I20 WeakPolarHBondContact CE1-O 3.4Å; F18-I20 HydrophobicContact CZ-CB 4.27Å; F18-I20 PolarHBondContact O-N 3.16Å; F18-L25 HydrophobicContact CE1-CB 4.3Å; F18-L25 HydrophobicContact CE1-CD2 4.05Å; F18-L25 HydrophobicContact CE2-CD2 4.27Å; F18-L25 HydrophobicContact CZ-CB 4.32Å; F18-L25 HydrophobicContact CZ-CD1 4.44Å; F18-L25 HydrophobicContact CZ-CD2 3.41Å; F18-L25 VanDerWaalsContact CZ-CD2 3.41Å; F18-L25 HydrophobicContact CZ-CG 4.24Å
19I63.7Low72.2Confident168 Ų168101.6 Ų101.686%0.86253%0.532SS*.SBendtrans-72.6-26.3-169.4-58.6167.3000112A17A17-I19 PolarHBondContact O-N 3.33Å
20I68.6Low73Confident88 Ų88101.4 Ų101.445%0.45153%0.529SS..SBendtrans-118161.1-175.9-61.6174.6000108.4F18 L24F18-I20 VanDerWaalsContact C-N 3.32Å; F18-I20 WeakPolarHBondContact CD1-O 3.31Å; F18-I20 HydrophobicContact CE1-CB 3.98Å; F18-I20 WeakPolarHBondContact CE1-O 3.4Å; F18-I20 HydrophobicContact CZ-CB 4.27Å; F18-I20 PolarHBondContact O-N 3.16Å; I20-L24 HydrophobicContact CG2-CD2 3.99Å
21S78.1Confident73.8Confident43 Ų4398.3 Ų98.330%0.30152%0.516SS..  trans-72.2133.5170.467.20000110.4R23 L24 L25S21-R23 PolarHBondContact O-N 2.69Å; S21-L24 PolarHBondContact O-N 2.7Å; S21-L24 VanDerWaalsContact O-N 3.17Å; S21-L24 WeakPolarHBondContact OG-CB 3.43Å; S21-L25 PolarHBondContact O-N 2.94Å
22G83.1Confident74.7Confident47 Ų4794.4 Ų94.449%0.48551%0.506SS..Hα-helixtrans-58.1-35.1-178.100000113.5L25 A26G22-L25 PolarHBondContact O-N 2.78Å; G22-A26 WeakPolarHBondContact O-CB 3.31Å; G22-A26 PolarHBondContact O-N 3.25Å
23R85.2Confident75.9Confident140 Ų14096 Ų9653%0.52851%0.506SS..Hα-helixtrans-62.3-47.9175.7-70.2-173.8-78.1-153.6-4.6112.3S21 A26 I27S21-R23 PolarHBondContact O-N 2.69Å; R23-A26 PolarHBondContact O-N 2.86Å; R23-I27 WeakPolarHBondContact O-CD1 3.42Å; R23-I27 WeakPolarHBondContact O-CG1 3.1Å; R23-I27 PolarHBondContact O-N 2.81Å; R23-I27 VanDerWaalsContact O-N 3.15Å
24L85.5Confident77.5Confident33 Ų3393.5 Ų93.517%0.17349%0.493CS..Hα-helixtrans-67.1-39.1-179.7-171.1149.1000111.1I20 S21 I27 I28I20-L24 HydrophobicContact CG2-CD2 3.99Å; S21-L24 PolarHBondContact O-N 2.7Å; S21-L24 VanDerWaalsContact O-N 3.17Å; S21-L24 WeakPolarHBondContact OG-CB 3.43Å; L24-I27 PolarHBondContact O-N 3.08Å; L24-I28 HydrophobicContact CD2-CD1 3.44Å; L24-I28 VanDerWaalsContact CD2-CD1 3.44Å; L24-I28 HydrophobicContact CD2-CG1 4.23Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.36Å
25L86.8Confident79.2Confident57 Ų5785.9 Ų85.930%0.29846%0.46SS..Hα-helixtrans-59.3-47.9173.4-175.475.9000111.5F18 S21 G22 I27 I28 L29F18-L25 HydrophobicContact CE1-CB 4.3Å; F18-L25 HydrophobicContact CE1-CD2 4.05Å; F18-L25 HydrophobicContact CE2-CD2 4.27Å; F18-L25 HydrophobicContact CZ-CB 4.32Å; F18-L25 HydrophobicContact CZ-CD1 4.44Å; F18-L25 HydrophobicContact CZ-CD2 3.41Å; F18-L25 VanDerWaalsContact CZ-CD2 3.41Å; F18-L25 HydrophobicContact CZ-CG 4.24Å; S21-L25 PolarHBondContact O-N 2.94Å; G22-L25 PolarHBondContact O-N 2.78Å; L25-I27 VanDerWaalsContact C-N 3.29Å; L25-I27 PolarHBondContact O-N 3.41Å; L25-I28 PolarHBondContact O-N 3.38Å; L25-L29 HydrophobicContact CD1-CD1 4.49Å; L25-L29 HydrophobicContact CD2-CD1 4.17Å; L25-L29 HydrophobicContact CG-CD1 3.92Å; L25-L29 HydrophobicContact CG-CG 4.31Å; L25-L29 WeakPolarHBondContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.41Å
26A89.3Confident81.1Confident52 Ų5278.3 Ų78.343%0.4344%0.438SS..Hα-helixtrans-58.3-43.1179.800000111.6G22 R23 L29 V30G22-A26 WeakPolarHBondContact O-CB 3.31Å; G22-A26 PolarHBondContact O-N 3.25Å; R23-A26 PolarHBondContact O-N 2.86Å; A26-L29 PolarHBondContact O-N 3.49Å; A26-V30 VanDerWaalsContact O-CG2 3.3Å; A26-V30 WeakPolarHBondContact O-CG2 3.4Å; A26-V30 PolarHBondContact O-N 3.4Å
27I89.4Confident83Confident22 Ų2273.9 Ų73.911%0.11342%0.417CS..Hα-helixtrans-60.2-51176.4-66.3156.1000110.6R23 L24 L25 L29 V30 F31 V68 F72R23-I27 WeakPolarHBondContact O-CD1 3.42Å; R23-I27 WeakPolarHBondContact O-CG1 3.1Å; R23-I27 PolarHBondContact O-N 2.81Å; R23-I27 VanDerWaalsContact O-N 3.15Å; L24-I27 PolarHBondContact O-N 3.08Å; L25-I27 VanDerWaalsContact C-N 3.29Å; L25-I27 PolarHBondContact O-N 3.41Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 2.94Å; I27-V30 PolarHBondContact O-N 2.95Å; I27-F31 HydrophobicContact CG2-CD2 3.91Å; I27-F31 HydrophobicContact CG2-CE2 4.01Å; I27-F31 WeakPolarHBondContact O-CD2 3.31Å; I27-F31 PolarHBondContact O-N 2.9Å; I27-F31 VanDerWaalsContact O-N 3.13Å; I27-V68 HydrophobicContact CD1-CG1 3.87Å; I27-V68 HydrophobicContact CG1-CG1 4.02Å; I27-V68 HydrophobicContact CG2-CB 4.15Å; I27-V68 HydrophobicContact CG2-CG1 3.8Å; I27-F72 HydrophobicContact CD1-CB 4Å; I27-F72 HydrophobicContact CD1-CD2 3.38Å; I27-F72 HydrophobicContact CD1-CE2 4.08Å; I27-F72 HydrophobicContact CD1-CG 3.91Å
28I88.2Confident84.4Confident74 Ų7472 Ų7238%0.37940%0.395SS..Hα-helixtrans-58.3-44.6179.2-68.1175.5000110.8L24 L25 F31 L32L24-I28 HydrophobicContact CD2-CD1 3.44Å; L24-I28 VanDerWaalsContact CD2-CD1 3.44Å; L24-I28 HydrophobicContact CD2-CG1 4.23Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.36Å; L25-I28 PolarHBondContact O-N 3.38Å; I28-F31 PolarHBondContact O-N 2.92Å; I28-L32 WeakPolarHBondContact O-CB 3.33Å; I28-L32 PolarHBondContact O-N 2.86Å
29L90.7Very high85.9Confident89 Ų8970.4 Ų70.447%0.46639%0.391SS..Hα-helixtrans-63.7-44.4-179.8-72.3174.5000112.2L25 A26 I27 F31 L32 M33L25-L29 HydrophobicContact CD1-CD1 4.49Å; L25-L29 HydrophobicContact CD2-CD1 4.17Å; L25-L29 HydrophobicContact CG-CD1 3.92Å; L25-L29 HydrophobicContact CG-CG 4.31Å; L25-L29 WeakPolarHBondContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.41Å; A26-L29 PolarHBondContact O-N 3.49Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 2.94Å; L29-F31 PolarHBondContact O-N 3.18Å; L29-L32 PolarHBondContact O-N 3.43Å; L29-M33 VanDerWaalsContact O-CG 3.27Å; L29-M33 WeakPolarHBondContact O-CG 3.31Å; L29-M33 PolarHBondContact O-N 3.44Å
30V93.3Very high87Confident89 Ų8968.8 Ų68.854%0.53938%0.384SS..Hα-helixtrans-58.9-48.8178.1168.90000110.7A26 I27 M33 L34A26-V30 VanDerWaalsContact O-CG2 3.3Å; A26-V30 WeakPolarHBondContact O-CG2 3.4Å; A26-V30 PolarHBondContact O-N 3.4Å; I27-V30 PolarHBondContact O-N 2.95Å; V30-M33 PolarHBondContact O-N 2.89Å; V30-L34 HydrophobicContact CG1-CD1 4.47Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.45Å; V30-L34 VanDerWaalsContact O-N 3.08Å
31F90.1Very high87.8Confident22 Ų2269.6 Ų69.610%0.09639%0.388CS..Hα-helixtrans-69.9-32.8179.2-81-79.1000113.3I27 I28 L29 L34 A35 L61 V65 V68 W189I27-F31 HydrophobicContact CG2-CD2 3.91Å; I27-F31 HydrophobicContact CG2-CE2 4.01Å; I27-F31 WeakPolarHBondContact O-CD2 3.31Å; I27-F31 PolarHBondContact O-N 2.9Å; I27-F31 VanDerWaalsContact O-N 3.13Å; I28-F31 PolarHBondContact O-N 2.92Å; L29-F31 PolarHBondContact O-N 3.18Å; F31-L34 HydrophobicContact CD1-CD1 4.35Å; F31-L34 PolarHBondContact O-N 3.05Å; F31-A35 WeakPolarHBondContact O-CB 3.29Å; F31-A35 PolarHBondContact O-N 2.79Å; F31-L61 HydrophobicContact CB-CD2 4.19Å; F31-L61 HydrophobicContact CD1-CD2 4.12Å; F31-L61 HydrophobicContact CD1-CG 3.99Å; F31-V65 HydrophobicContact CB-CB 4.37Å; F31-V65 HydrophobicContact CB-CG1 4.33Å; F31-V65 HydrophobicContact CB-CG2 3.35Å; F31-V65 HydrophobicContact CD1-CB 4.46Å; F31-V65 HydrophobicContact CD1-CG2 3.5Å; F31-V65 HydrophobicContact CD2-CB 4.14Å; F31-V65 HydrophobicContact CD2-CG1 4.11Å; F31-V65 HydrophobicContact CD2-CG2 3.84Å; F31-V65 HydrophobicContact CE1-CG2 4.15Å; F31-V65 HydrophobicContact CE2-CG2 4.47Å; F31-V65 HydrophobicContact CG-CB 4.1Å; F31-V65 HydrophobicContact CG-CG1 4.32Å; F31-V65 HydrophobicContact CG-CG2 3.3Å; F31-V68 HydrophobicContact CE2-CB 4.4Å; F31-V68 HydrophobicContact CE2-CG2 4.29Å; F31-V68 HydrophobicContact CZ-CG2 4.33Å; F31-W189 HydrophobicContact CE1-CH2 4.38Å
32L91.1Very high87.9Confident92 Ų9268.4 Ų68.448%0.48238%0.378SS..Hα-helixtrans-65.8-41.5174.5-175.8137.9000111.2I28 L29 L34 A35 V36I28-L32 WeakPolarHBondContact O-CB 3.33Å; I28-L32 PolarHBondContact O-N 2.86Å; L29-L32 PolarHBondContact O-N 3.43Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.76Å; L32-A35 PolarHBondContact O-N 2.97Å; L32-V36 HydrophobicContact CD2-CG2 4.24Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.92Å
33M93Very high87.7Confident132 Ų13270.6 Ų70.665%0.6538%0.384SS*.Hα-helixtrans-62.3-41174-69.2-61.9-75.500111.6L29 V30 V36 G37L29-M33 VanDerWaalsContact O-CG 3.27Å; L29-M33 WeakPolarHBondContact O-CG 3.31Å; L29-M33 PolarHBondContact O-N 3.44Å; V30-M33 PolarHBondContact O-N 2.89Å; M33-V36 PolarHBondContact O-N 2.9Å; M33-G37 PolarHBondContact O-N 3.49Å
34L89.8Confident87.4Confident96 Ų9667.1 Ų67.150%0.50339%0.392SS..Hα-helixtrans-61.4-45.6172.9-70.3172.5000111.8V30 F31 L32 V36 G37 L38 L61V30-L34 HydrophobicContact CG1-CD1 4.47Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.45Å; V30-L34 VanDerWaalsContact O-N 3.08Å; F31-L34 HydrophobicContact CD1-CD1 4.35Å; F31-L34 PolarHBondContact O-N 3.05Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.76Å; L34-V36 PolarHBondContact O-N 3.26Å; L34-G37 PolarHBondContact O-N 3.3Å; L34-L38 WeakPolarHBondContact O-CD1 3.19Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.03Å; L34-L61 HydrophobicContact CB-CD1 3.98Å
35A89.1Confident87.1Confident12 Ų1266.9 Ų66.910%0.09939%0.39CS..Hα-helixtrans-62.5-42.4178.100000112.2F31 L32 L38 L39 M58 L61F31-A35 WeakPolarHBondContact O-CB 3.29Å; F31-A35 PolarHBondContact O-N 2.79Å; L32-A35 PolarHBondContact O-N 2.97Å; A35-L38 PolarHBondContact O-N 3.2Å; A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 VanDerWaalsContact O-CG 3.3Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 2.86Å; A35-M58 HydrophobicContact CB-CE 4.47Å; A35-M58 HydrophobicContact CB-SD 4.37Å; A35-L61 HydrophobicContact CB-CD1 4.11Å; A35-L61 HydrophobicContact CB-CD2 4.12Å
36V89.6Confident86.5Confident65 Ų6572.6 Ų72.639%0.39441%0.408SS..Hα-helixtrans-63.6-43.5175.1172.10000110.8L32 M33 L34 L38 L39 L40L32-V36 HydrophobicContact CD2-CG2 4.24Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.92Å; M33-V36 PolarHBondContact O-N 2.9Å; L34-V36 PolarHBondContact O-N 3.26Å; V36-L38 VanDerWaalsContact C-N 3.33Å; V36-L38 PolarHBondContact O-N 3.44Å; V36-L39 WeakPolarHBondContact O-CB 3.36Å; V36-L39 PolarHBondContact O-N 3.38Å; V36-L40 HydrophobicContact CG1-CD1 4.36Å; V36-L40 WeakPolarHBondContact O-CG 3.27Å; V36-L40 PolarHBondContact O-N 2.83Å
37G89.6Confident86Confident29 Ų2973 Ų7330%0.29942%0.417SS..Hα-helixtrans-57.5-45.2174.600000112.5M33 L34 L39 L40 I41M33-G37 PolarHBondContact O-N 3.49Å; L34-G37 PolarHBondContact O-N 3.3Å; G37-L39 VanDerWaalsContact C-N 3.34Å; G37-L39 PolarHBondContact O-N 2.87Å; G37-L40 PolarHBondContact O-N 2.8Å; G37-I41 WeakPolarHBondContact O-CG1 2.96Å; G37-I41 PolarHBondContact O-N 2.95Å; G37-I41 VanDerWaalsContact O-N 3.17Å
38L85.3Confident85.3Confident43 Ų4381.3 Ų81.323%0.22545%0.452CS..Hα-helixtrans-65.3-35.9176.7-69.6161000112.6L34 A35 V36 L40 I41 L42 W53 I57 L61L34-L38 WeakPolarHBondContact O-CD1 3.19Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.03Å; A35-L38 PolarHBondContact O-N 3.2Å; V36-L38 VanDerWaalsContact C-N 3.33Å; V36-L38 PolarHBondContact O-N 3.44Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L38-I41 PolarHBondContact O-N 3Å; L38-L42 PolarHBondContact O-N 3.08Å; L38-W53 HydrophobicContact CD2-CH2 4.36Å; L38-I57 HydrophobicContact CD1-CG2 3.44Å; L38-I57 VanDerWaalsContact CD1-CG2 3.44Å; L38-I57 HydrophobicContact CD2-CG2 4.18Å; L38-I57 HydrophobicContact CG-CG2 4.25Å; L38-L61 HydrophobicContact CD1-CD1 3.8Å
39L85.1Confident84.7Confident85 Ų8581.5 Ų81.545%0.44546%0.457SS..Hα-helixtrans-68-30.5173.6-75.9165.4000112.9A35 V36 G37 L42 M54A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 VanDerWaalsContact O-CG 3.3Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 2.86Å; V36-L39 WeakPolarHBondContact O-CB 3.36Å; V36-L39 PolarHBondContact O-N 3.38Å; G37-L39 VanDerWaalsContact C-N 3.34Å; G37-L39 PolarHBondContact O-N 2.87Å; L39-L42 HydrophobicContact CD2-CD2 4.32Å; L39-L42 WeakPolarHBondContact O-CB 3.22Å; L39-M54 HydrophobicContact CD2-CE 3.33Å; L39-M54 HydrophobicContact CG-CE 4.03Å
40L86.9Confident84.2Confident134 Ų13481.9 Ų81.970%0.70245%0.452SS*.Hα-helixtrans-75-33.2176.2-72.2175.2000112.8V36 G37 L38 L42 P43V36-L40 HydrophobicContact CG1-CD1 4.36Å; V36-L40 WeakPolarHBondContact O-CG 3.27Å; V36-L40 PolarHBondContact O-N 2.83Å; G37-L40 PolarHBondContact O-N 2.8Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.37Å; L40-P43 WeakPolarHBondContact O-CD 3.49Å
41I85.4Confident83.6Confident106 Ų10682.7 Ų82.754%0.54446%0.457SS..Hα-helixtrans-72.9-20.9175.7-62.5163.8000111G37 L38 P43 G44G37-I41 WeakPolarHBondContact O-CG1 2.96Å; G37-I41 PolarHBondContact O-N 2.95Å; G37-I41 VanDerWaalsContact O-N 3.17Å; L38-I41 PolarHBondContact O-N 3Å; I41-P43 VanDerWaalsContact C-CD 3.42Å; I41-G44 PolarHBondContact O-N 3Å
42L78.6Confident83.1Confident18 Ų1889 Ų899%0.09449%0.485CS..G310 helixtrans-54.3-39.4-173-176.455000116.4L38 L39 L40 G44 I45 R50 M54L38-L42 PolarHBondContact O-N 3.08Å; L39-L42 HydrophobicContact CD2-CD2 4.32Å; L39-L42 WeakPolarHBondContact O-CB 3.22Å; L40-L42 PolarHBondContact O-N 3.37Å; L42-G44 PolarHBondContact O-N 2.9Å; L42-I45 PolarHBondContact O-N 2.81Å; L42-R50 HydrophobicContact CD1-CG 3.35Å; L42-R50 VanDerWaalsContact CD1-NE 3.33Å; L42-R50 HydrophobicContact CG-CG 4.24Å; L42-M54 HydrophobicContact CB-SD 4.2Å; L42-M54 HydrophobicContact CD1-CG 3.08Å; L42-M54 HydrophobicContact CD1-SD 3.36Å; L42-M54 WeakPolarHBondContact CD1-SD 3.43Å; L42-M54 HydrophobicContact CD2-CE 3.96Å; L42-M54 HydrophobicContact CD2-CG 3.64Å; L42-M54 HydrophobicContact CD2-SD 3.75Å; L42-M54 HydrophobicContact CG-CG 3.91Å; L42-M54 HydrophobicContact CG-SD 3.9Å
43P79.4Confident82.7Confident93 Ų9386.1 Ų86.160%0.60447%0.467SS*.G310 helixtrans-63.4-20.7176.3-20.834.8000113.7L40 I41 I45L40-P43 WeakPolarHBondContact O-CD 3.49Å; I41-P43 VanDerWaalsContact C-CD 3.42Å; P43-I45 VanDerWaalsContact C-N 3.3Å; P43-I45 PolarHBondContact O-N 2.83Å
44G79.2Confident82.2Confident67 Ų6780.8 Ų80.869%0.69144%0.441SS*.G310 helixtrans-76.2-11.1178.900000114.6I41 L42I41-G44 PolarHBondContact O-N 3Å; L42-G44 PolarHBondContact O-N 2.9Å
45I79.5Confident82.1Confident27 Ų2781.1 Ų81.114%0.13844%0.443CS..SBendtrans-92.3117.8-178.1-58.3174.4000109.8L42 P43 R50 W53L42-I45 PolarHBondContact O-N 2.81Å; P43-I45 VanDerWaalsContact C-N 3.3Å; P43-I45 PolarHBondContact O-N 2.83Å; I45-R50 HydrophobicContact CG2-CB 4.39Å; I45-W53 HydrophobicContact CD1-CD2 3.6Å; I45-W53 HydrophobicContact CD1-CE3 3.29Å; I45-W53 HydrophobicContact CD1-CG 4.42Å; I45-W53 HydrophobicContact CD1-CH2 3.56Å; I45-W53 HydrophobicContact CD1-CZ2 3.83Å; I45-W53 HydrophobicContact CD1-CZ3 3.28Å
46R74.9Confident81.9Confident177 Ų17783 Ų8367%0.66845%0.447SS*.  trans-73.4145.3-180-70.3-179.5175.3146.7-1.2112.1E290R46-E290 VanDerWaalsContact CD-OE1 3.31Å; R46-E290 WeakPolarHBondContact CD-OE1 3.19Å; R46-E290 WeakPolarHBondContact CD-OE2 3.42Å; R46-E290 IonicContact CZ-OE2 3.92Å; R46-E290 IonicContact NE-OE2 3.01Å; R46-E290 PolarHBondContact NE-OE2 2.9Å; R46-E290 IonicContact NH1-OE2 2.6Å; R46-E290 PolarHBondContact NH1-OE2 3.06Å
47G78.1Confident81.8Confident60 Ų6080.9 Ų80.962%0.61943%0.434SS*.SBendtrans87.1-179.3165.200000118.6T49 R50G47-T49 PolarHBondContact O-N 3.23Å; G47-R50 WeakPolarHBondContact O-CB 3.38Å; G47-R50 PolarHBondContact O-N 3.36Å
48K74.4Confident81.8Confident198 Ų19883 Ų8386%0.86144%0.436SS*.THydrogen-bonded Turntrans-68.9-19.4-179.4-68.4179.4179.7174.60113.4R50K48-R50 PolarHBondContact O-N 3.36Å
49T75.8Confident82.1Confident77 Ų7783.7 Ų83.747%0.47244%0.44SS..Hα-helixtrans-67.5-17.2178.6-52.80000113.1G47 V51 F52 W53G47-T49 PolarHBondContact O-N 3.23Å; T49-V51 PolarHBondContact O-N 3.05Å; T49-F52 PolarHBondContact O-N 3.49Å; T49-W53 PolarHBondContact O-N 2.96Å
50R80.9Confident82.4Confident98 Ų9880.4 Ų80.437%0.3742%0.424SS..Hα-helixtrans-51.6-46.4177.3178.6-179.6159.51781.9113.6L42 I45 G47 K48 W53 M54L42-R50 HydrophobicContact CD1-CG 3.35Å; L42-R50 VanDerWaalsContact CD1-NE 3.33Å; L42-R50 HydrophobicContact CG-CG 4.24Å; I45-R50 HydrophobicContact CG2-CB 4.39Å; G47-R50 WeakPolarHBondContact O-CB 3.38Å; G47-R50 PolarHBondContact O-N 3.36Å; K48-R50 PolarHBondContact O-N 3.36Å; R50-W53 PolarHBondContact O-N 2.9Å; R50-M54 WeakPolarHBondContact O-CG 2.72Å; R50-M54 PolarHBondContact O-N 3.36Å
51V79.3Confident82.7Confident105 Ų10575.1 Ų75.164%0.63640%0.396SS*.Hα-helixtrans-68.2-41.7-176.6178.90000111T49 M54 L55T49-V51 PolarHBondContact O-N 3.05Å; V51-M54 PolarHBondContact O-N 3.27Å; V51-L55 WeakPolarHBondContact O-CB 3.41Å; V51-L55 PolarHBondContact O-N 3.44Å
52F80.3Confident83.1Confident156 Ų15674.9 Ų74.968%0.68439%0.391SS*.Hα-helixtrans-65.4-40176.5-72.6-78.6000112.2T49 R56T49-F52 PolarHBondContact O-N 3.49Å; F52-R56 WeakPolarHBondContact O-CB 3.41Å; F52-R56 PolarHBondContact O-N 3.27Å
53W82.7Confident83.9Confident31 Ų3174.4 Ų74.412%0.11739%0.389CS..Hα-helixtrans-63.6-43.8175.2-175.191000111.7L38 I45 T49 R50 R56 I57L38-W53 HydrophobicContact CD2-CH2 4.36Å; I45-W53 HydrophobicContact CD1-CD2 3.6Å; I45-W53 HydrophobicContact CD1-CE3 3.29Å; I45-W53 HydrophobicContact CD1-CG 4.42Å; I45-W53 HydrophobicContact CD1-CH2 3.56Å; I45-W53 HydrophobicContact CD1-CZ2 3.83Å; I45-W53 HydrophobicContact CD1-CZ3 3.28Å; T49-W53 PolarHBondContact O-N 2.96Å; R50-W53 PolarHBondContact O-N 2.9Å; W53-R56 PolarHBondContact O-N 3.47Å; W53-I57 HydrophobicContact CD2-CD1 3.54Å; W53-I57 HydrophobicContact CD2-CG1 4.45Å; W53-I57 HydrophobicContact CE3-CD1 3.77Å; W53-I57 HydrophobicContact CG-CD1 4.35Å; W53-I57 HydrophobicContact CH2-CD1 3.37Å; W53-I57 HydrophobicContact CZ2-CD1 3.11Å; W53-I57 HydrophobicContact CZ3-CD1 3.69Å; W53-I57 WeakPolarHBondContact O-CG1 3.37Å; W53-I57 PolarHBondContact O-N 3.18Å
54M83.6Confident84.5Confident19 Ų1970 Ų709%0.09436%0.36CS..Hα-helixtrans-62.3-48.6175.5-81-58.4-62.100113.1L39 L42 R50 V51 R56 I57 M58L39-M54 HydrophobicContact CD2-CE 3.33Å; L39-M54 HydrophobicContact CG-CE 4.03Å; L42-M54 HydrophobicContact CB-SD 4.2Å; L42-M54 HydrophobicContact CD1-CG 3.08Å; L42-M54 HydrophobicContact CD1-SD 3.36Å; L42-M54 WeakPolarHBondContact CD1-SD 3.43Å; L42-M54 HydrophobicContact CD2-CE 3.96Å; L42-M54 HydrophobicContact CD2-CG 3.64Å; L42-M54 HydrophobicContact CD2-SD 3.75Å; L42-M54 HydrophobicContact CG-CG 3.91Å; L42-M54 HydrophobicContact CG-SD 3.9Å; R50-M54 WeakPolarHBondContact O-CG 2.72Å; R50-M54 PolarHBondContact O-N 3.36Å; V51-M54 PolarHBondContact O-N 3.27Å; M54-R56 VanDerWaalsContact C-N 3.27Å; M54-R56 PolarHBondContact O-N 3.18Å; M54-I57 PolarHBondContact O-N 3.42Å; M54-M58 HydrophobicContact CE-CG 3.93Å; M54-M58 HydrophobicContact CE-SD 4.31Å; M54-M58 WeakPolarHBondContact O-CB 3.34Å; M54-M58 VanDerWaalsContact O-CG 3.27Å; M54-M58 WeakPolarHBondContact O-CG 3.02Å; M54-M58 PolarHBondContact O-N 2.84Å
55L85.8Confident85.2Confident103 Ų10368 Ų6854%0.53933%0.334SS..Hα-helixtrans-59.4-43.2179.6-172.5118.4000110.4V51 I57 I59V51-L55 WeakPolarHBondContact O-CB 3.41Å; V51-L55 PolarHBondContact O-N 3.44Å; L55-I57 PolarHBondContact O-N 2.65Å; L55-I59 HydrophobicContact CD2-CD1 3.5Å; L55-I59 HydrophobicContact CG-CD1 3.65Å; L55-I59 HydrophobicContact CG-CG1 4.4Å; L55-I59 VanDerWaalsContact O-CB 3.29Å; L55-I59 WeakPolarHBondContact O-CB 3.38Å; L55-I59 WeakPolarHBondContact O-CD1 3.45Å; L55-I59 WeakPolarHBondContact O-CG1 3.36Å; L55-I59 PolarHBondContact O-N 3.01Å
56R86.1Confident86Confident53 Ų5367.1 Ų67.120%0.233%0.33CS..Hα-helixtrans-57.4-50.8175.5-176.4-177.575.3154.47.9112F52 W53 M54 S60 F196F52-R56 WeakPolarHBondContact O-CB 3.41Å; F52-R56 PolarHBondContact O-N 3.27Å; W53-R56 PolarHBondContact O-N 3.47Å; M54-R56 VanDerWaalsContact C-N 3.27Å; M54-R56 PolarHBondContact O-N 3.18Å; R56-S60 WeakPolarHBondContact O-CB 3.42Å; R56-S60 PolarHBondContact O-N 2.92Å; R56-F196 PolarHBondContact NH1-O 3.26Å
57I87.6Confident86.9Confident20 Ų2058.7 Ų58.710%0.10330%0.299CS..Hα-helixtrans-69.9-42-176.1-71.5179.7000111.4L38 W53 M54 L55 S60 L61L38-I57 HydrophobicContact CD1-CG2 3.44Å; L38-I57 VanDerWaalsContact CD1-CG2 3.44Å; L38-I57 HydrophobicContact CD2-CG2 4.18Å; L38-I57 HydrophobicContact CG-CG2 4.25Å; W53-I57 HydrophobicContact CD2-CD1 3.54Å; W53-I57 HydrophobicContact CD2-CG1 4.45Å; W53-I57 HydrophobicContact CE3-CD1 3.77Å; W53-I57 HydrophobicContact CG-CD1 4.35Å; W53-I57 HydrophobicContact CH2-CD1 3.37Å; W53-I57 HydrophobicContact CZ2-CD1 3.11Å; W53-I57 HydrophobicContact CZ3-CD1 3.69Å; W53-I57 WeakPolarHBondContact O-CG1 3.37Å; W53-I57 PolarHBondContact O-N 3.18Å; M54-I57 PolarHBondContact O-N 3.42Å; L55-I57 PolarHBondContact O-N 2.65Å; I57-S60 PolarHBondContact O-N 2.95Å; I57-L61 VanDerWaalsContact O-CB 3.24Å; I57-L61 WeakPolarHBondContact O-CB 3.42Å; I57-L61 PolarHBondContact O-N 3.04Å
58M89.4Confident87.7Confident73 Ų7356.6 Ų56.636%0.3627%0.274SS..Hα-helixtrans-64.5-42.6178-71.2-60.4-63.200111.9A35 M54 L61 F62A35-M58 HydrophobicContact CB-CE 4.47Å; A35-M58 HydrophobicContact CB-SD 4.37Å; M54-M58 HydrophobicContact CE-CG 3.93Å; M54-M58 HydrophobicContact CE-SD 4.31Å; M54-M58 WeakPolarHBondContact O-CB 3.34Å; M54-M58 VanDerWaalsContact O-CG 3.27Å; M54-M58 WeakPolarHBondContact O-CG 3.02Å; M54-M58 PolarHBondContact O-N 2.84Å; M58-L61 PolarHBondContact O-N 3.18Å; M58-F62 VanDerWaalsContact O-CB 3.25Å; M58-F62 WeakPolarHBondContact O-CB 3.36Å; M58-F62 PolarHBondContact O-N 3.05Å
59I91.5Very high88.6Confident57 Ų5748.1 Ų48.129%0.29224%0.241SC..Hα-helixtrans-62.9-44.9174.8-70.6168.9000110.3L55 F62 I63 L257 I261L55-I59 HydrophobicContact CD2-CD1 3.5Å; L55-I59 HydrophobicContact CG-CD1 3.65Å; L55-I59 HydrophobicContact CG-CG1 4.4Å; L55-I59 VanDerWaalsContact O-CB 3.29Å; L55-I59 WeakPolarHBondContact O-CB 3.38Å; L55-I59 WeakPolarHBondContact O-CD1 3.45Å; L55-I59 WeakPolarHBondContact O-CG1 3.36Å; L55-I59 PolarHBondContact O-N 3.01Å; I59-F62 WeakPolarHBondContact O-CB 3.3Å; I59-F62 PolarHBondContact O-N 3.08Å; I59-I63 HydrophobicContact CG2-CD1 3.89Å; I59-I63 VanDerWaalsContact O-CG1 3.3Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 2.81Å; I59-L257 HydrophobicContact CG2-CD2 4.44Å; I59-I261 HydrophobicContact CG2-CD1 3.67Å
60S92.2Very high89.4Confident17 Ų1744.6 Ų44.612%0.11922%0.219CC..Hα-helixtrans-64.3-45179.1-173.30000112.3R56 I57 F62 I63 G64 W189 N193R56-S60 WeakPolarHBondContact O-CB 3.42Å; R56-S60 PolarHBondContact O-N 2.92Å; I57-S60 PolarHBondContact O-N 2.95Å; S60-F62 VanDerWaalsContact C-N 3.32Å; S60-F62 PolarHBondContact O-N 2.87Å; S60-I63 PolarHBondContact O-N 3.14Å; S60-G64 PolarHBondContact O-N 2.74Å; S60-W189 WeakPolarHBondContact O-CZ2 3.3Å; S60-W189 PolarHBondContact O-NE1 3.09Å; S60-W189 PolarHBondContact OG-NE1 2.98Å; S60-W189 VanDerWaalsContact OG-NE1 3.13Å; S60-N193 WeakPolarHBondContact CB-OD1 3.31Å; S60-N193 PolarHBondContact OG-ND2 3.24Å; S60-N193 PolarHBondContact OG-OD1 2.86Å
61L92.8Very high89.9Confident22 Ų2240 Ų4012%0.11520%0.202CC..Hα-helixtrans-62-42.4177.5-171.1148.1000110.6F31 L34 A35 L38 I57 M58 I63 G64 V65F31-L61 HydrophobicContact CB-CD2 4.19Å; F31-L61 HydrophobicContact CD1-CD2 4.12Å; F31-L61 HydrophobicContact CD1-CG 3.99Å; L34-L61 HydrophobicContact CB-CD1 3.98Å; A35-L61 HydrophobicContact CB-CD1 4.11Å; A35-L61 HydrophobicContact CB-CD2 4.12Å; L38-L61 HydrophobicContact CD1-CD1 3.8Å; I57-L61 VanDerWaalsContact O-CB 3.24Å; I57-L61 WeakPolarHBondContact O-CB 3.42Å; I57-L61 PolarHBondContact O-N 3.04Å; M58-L61 PolarHBondContact O-N 3.18Å; L61-I63 PolarHBondContact O-N 3.45Å; L61-G64 PolarHBondContact O-N 2.8Å; L61-V65 HydrophobicContact CD2-CG2 3.76Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 2.78Å
62F93.2Very high90.4Very high101 Ų10137.2 Ų37.244%0.44318%0.181SC..Hα-helixtrans-56.9-48.5173.4173.7-100.8000112.1M58 I59 S60 G64 V65 V66M58-F62 VanDerWaalsContact O-CB 3.25Å; M58-F62 WeakPolarHBondContact O-CB 3.36Å; M58-F62 PolarHBondContact O-N 3.05Å; I59-F62 WeakPolarHBondContact O-CB 3.3Å; I59-F62 PolarHBondContact O-N 3.08Å; S60-F62 VanDerWaalsContact C-N 3.32Å; S60-F62 PolarHBondContact O-N 2.87Å; F62-G64 VanDerWaalsContact C-N 3.31Å; F62-G64 PolarHBondContact O-N 2.86Å; F62-V65 PolarHBondContact O-N 3.02Å; F62-V66 HydrophobicContact CD1-CG2 4.49Å; F62-V66 HydrophobicContact CD2-CG2 4.14Å; F62-V66 HydrophobicContact CE1-CG2 4.12Å; F62-V66 HydrophobicContact CE2-CG2 3.75Å; F62-V66 HydrophobicContact CZ-CG2 3.74Å; F62-V66 VanDerWaalsContact O-CG2 3.28Å; F62-V66 WeakPolarHBondContact O-CG2 3.11Å; F62-V66 PolarHBondContact O-N 2.91Å
63I94.3Very high90.8Very high8 Ų830.4 Ų30.44%0.04115%0.152CC..Hα-helixtrans-57.8-45.8176.1-67.7161.5000110.4I59 S60 L61 V66 I67 T254 L257 I261I59-I63 HydrophobicContact CG2-CD1 3.89Å; I59-I63 VanDerWaalsContact O-CG1 3.3Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 2.81Å; S60-I63 PolarHBondContact O-N 3.14Å; L61-I63 PolarHBondContact O-N 3.45Å; I63-V66 PolarHBondContact O-N 3.38Å; I63-I67 HydrophobicContact CG2-CD1 3.73Å; I63-I67 HydrophobicContact CG2-CG1 4.4Å; I63-I67 VanDerWaalsContact O-CG1 3.28Å; I63-I67 WeakPolarHBondContact O-CG1 3.4Å; I63-I67 PolarHBondContact O-N 3.29Å; I63-T254 HydrophobicContact CG1-CG2 4.34Å; I63-T254 HydrophobicContact CG2-CG2 4.26Å; I63-L257 HydrophobicContact CD1-CD2 4.4Å; I63-L257 HydrophobicContact CG1-CD2 4.25Å; I63-I261 HydrophobicContact CD1-CD1 4.11Å
64G93.6Very high90.9Very high0 Ų030.3 Ų30.30%015%0.154CC..Hα-helixtrans-59.4-48177.500000113.1S60 L61 F62 V66 I67 V68S60-G64 PolarHBondContact O-N 2.74Å; L61-G64 PolarHBondContact O-N 2.8Å; F62-G64 VanDerWaalsContact C-N 3.31Å; F62-G64 PolarHBondContact O-N 2.86Å; G64-V66 VanDerWaalsContact C-N 3.32Å; G64-V66 PolarHBondContact O-N 2.9Å; G64-I67 PolarHBondContact O-N 3.19Å; G64-V68 WeakPolarHBondContact O-CG2 3.27Å; G64-V68 PolarHBondContact O-N 3.4Å
65V94.3Very high91Very high25 Ų2530.8 Ų30.815%0.15216%0.159CC..Hα-helixtrans-58.4-48.1177.3-171.90000110.1F31 L61 F62 V68 A69F31-V65 HydrophobicContact CB-CB 4.37Å; F31-V65 HydrophobicContact CB-CG1 4.33Å; F31-V65 HydrophobicContact CB-CG2 3.35Å; F31-V65 HydrophobicContact CD1-CB 4.46Å; F31-V65 HydrophobicContact CD1-CG2 3.5Å; F31-V65 HydrophobicContact CD2-CB 4.14Å; F31-V65 HydrophobicContact CD2-CG1 4.11Å; F31-V65 HydrophobicContact CD2-CG2 3.84Å; F31-V65 HydrophobicContact CE1-CG2 4.15Å; F31-V65 HydrophobicContact CE2-CG2 4.47Å; F31-V65 HydrophobicContact CG-CB 4.1Å; F31-V65 HydrophobicContact CG-CG1 4.32Å; F31-V65 HydrophobicContact CG-CG2 3.3Å; L61-V65 HydrophobicContact CD2-CG2 3.76Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 2.78Å; F62-V65 PolarHBondContact O-N 3.02Å; V65-V68 PolarHBondContact O-N 3.03Å; V65-A69 WeakPolarHBondContact O-CB 3.48Å; V65-A69 PolarHBondContact O-N 3.44Å
66V94.6Very high91.3Very high9 Ų925.9 Ų25.96%0.05513%0.133CC..Hα-helixtrans-65.8-42.9-174.1173.70000110.6F62 I63 G64 V68 A69 L70 L250 T254F62-V66 HydrophobicContact CD1-CG2 4.49Å; F62-V66 HydrophobicContact CD2-CG2 4.14Å; F62-V66 HydrophobicContact CE1-CG2 4.12Å; F62-V66 HydrophobicContact CE2-CG2 3.75Å; F62-V66 HydrophobicContact CZ-CG2 3.74Å; F62-V66 VanDerWaalsContact O-CG2 3.28Å; F62-V66 WeakPolarHBondContact O-CG2 3.11Å; F62-V66 PolarHBondContact O-N 2.91Å; I63-V66 PolarHBondContact O-N 3.38Å; G64-V66 VanDerWaalsContact C-N 3.32Å; G64-V66 PolarHBondContact O-N 2.9Å; V66-V68 VanDerWaalsContact C-N 3.33Å; V66-V68 PolarHBondContact O-N 2.87Å; V66-A69 PolarHBondContact O-N 3.24Å; V66-L70 HydrophobicContact CG1-CD1 3.59Å; V66-L70 HydrophobicContact CG1-CG 3.95Å; V66-L70 VanDerWaalsContact O-CB 3.27Å; V66-L70 WeakPolarHBondContact O-CB 3.31Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 3.48Å; V66-L250 HydrophobicContact CG1-CD1 4.42Å; V66-L250 HydrophobicContact CG1-CD2 3.95Å; V66-L250 HydrophobicContact CG1-CG 3.82Å; V66-T254 HydrophobicContact CB-CG2 4.43Å; V66-T254 HydrophobicContact CG1-CG2 4.18Å; V66-T254 VanDerWaalsContact CG1-OG1 3.31Å; V66-T254 WeakPolarHBondContact CG1-OG1 3.46Å
67I94.6Very high91.5Very high1 Ų123.5 Ų23.51%0.00513%0.125CC..Hα-helixtrans-57.2-47.5176.4-67.3165.9000110.9I63 G64 N71 L182 F186 W189 T211 I215I63-I67 HydrophobicContact CG2-CD1 3.73Å; I63-I67 HydrophobicContact CG2-CG1 4.4Å; I63-I67 VanDerWaalsContact O-CG1 3.28Å; I63-I67 WeakPolarHBondContact O-CG1 3.4Å; I63-I67 PolarHBondContact O-N 3.29Å; G64-I67 PolarHBondContact O-N 3.19Å; I67-N71 PolarHBondContact O-N 3.46Å; I67-L182 WeakPolarHBondContact CG2-O 3.47Å; I67-F186 HydrophobicContact CG2-CB 3.83Å; I67-F186 HydrophobicContact CG2-CD2 4.38Å; I67-W189 HydrophobicContact CD1-CB 4.14Å; I67-W189 HydrophobicContact CD1-CG 4.39Å; I67-T211 HydrophobicContact CD1-CG2 3.97Å; I67-I215 HydrophobicContact CD1-CD1 4.23Å; I67-I215 HydrophobicContact CG1-CD1 4.09Å
68V94.4Very high91.6Very high16 Ų1624.4 Ų24.410%0.09713%0.129CC..Hα-helixtrans-69.2-42.8-179.4-177.70000111I27 F31 G64 V65 V66 L70 N71 F72 F186I27-V68 HydrophobicContact CD1-CG1 3.87Å; I27-V68 HydrophobicContact CG1-CG1 4.02Å; I27-V68 HydrophobicContact CG2-CB 4.15Å; I27-V68 HydrophobicContact CG2-CG1 3.8Å; F31-V68 HydrophobicContact CE2-CB 4.4Å; F31-V68 HydrophobicContact CE2-CG2 4.29Å; F31-V68 HydrophobicContact CZ-CG2 4.33Å; G64-V68 WeakPolarHBondContact O-CG2 3.27Å; G64-V68 PolarHBondContact O-N 3.4Å; V65-V68 PolarHBondContact O-N 3.03Å; V66-V68 VanDerWaalsContact C-N 3.33Å; V66-V68 PolarHBondContact O-N 2.87Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 3.23Å; V68-N71 WeakPolarHBondContact O-CB 3.45Å; V68-N71 PolarHBondContact O-N 2.86Å; V68-N71 VanDerWaalsContact O-N 3.15Å; V68-F72 HydrophobicContact CG1-CD2 4Å; V68-F72 HydrophobicContact CG1-CE2 4.01Å; V68-F72 WeakPolarHBondContact O-CD2 3.46Å; V68-F72 PolarHBondContact O-N 3.46Å; V68-F186 HydrophobicContact CG2-CD2 3.55Å; V68-F186 HydrophobicContact CG2-CE2 3.4Å; V68-F186 HydrophobicContact CG2-CG 4.26Å; V68-F186 HydrophobicContact CG2-CZ 4Å
69A92.9Very high91.6Very high19 Ų1921.2 Ų21.216%0.15711%0.114CC..Hα-helixtrans-62.5-39.5177.700000112.1V65 V66 N71 F72 T73V65-A69 WeakPolarHBondContact O-CB 3.48Å; V65-A69 PolarHBondContact O-N 3.44Å; V66-A69 PolarHBondContact O-N 3.24Å; A69-N71 VanDerWaalsContact C-N 3.29Å; A69-N71 PolarHBondContact O-N 2.91Å; A69-F72 PolarHBondContact O-N 3.36Å; A69-T73 WeakPolarHBondContact O-CB 3.27Å; A69-T73 PolarHBondContact O-N 3.36Å
70L92.7Very high91.5Very high3 Ų324.5 Ų24.52%0.01612%0.123CC..Hα-helixtrans-64.2-33.4175-73171.4000112.1V66 V68 T73 W76 L182 S247 L250 A251V66-L70 HydrophobicContact CG1-CD1 3.59Å; V66-L70 HydrophobicContact CG1-CG 3.95Å; V66-L70 VanDerWaalsContact O-CB 3.27Å; V66-L70 WeakPolarHBondContact O-CB 3.31Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 3.48Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 3.23Å; L70-T73 WeakPolarHBondContact O-CG2 3.5Å; L70-W76 HydrophobicContact CB-CZ2 4.1Å; L70-W76 WeakPolarHBondContact O-CZ2 3.41Å; L70-W76 PolarHBondContact O-NE1 3.05Å; L70-L182 HydrophobicContact CB-CD1 4.47Å; L70-S247 WeakPolarHBondContact CD2-O 3.26Å; L70-L250 HydrophobicContact CD2-CB 4.48Å; L70-L250 HydrophobicContact CD2-CD2 4.44Å; L70-A251 HydrophobicContact CD1-CB 3.59Å; L70-A251 HydrophobicContact CD2-CB 4.17Å
71N93.1Very high91.4Very high3 Ų324.6 Ų24.62%0.01612%0.122CC..Hα-helixtrans-67.5-38.4175.8-17463.6000112I67 V68 A69 Y106 S179 L182 W183I67-N71 PolarHBondContact O-N 3.46Å; V68-N71 WeakPolarHBondContact O-CB 3.45Å; V68-N71 PolarHBondContact O-N 2.86Å; V68-N71 VanDerWaalsContact O-N 3.15Å; A69-N71 VanDerWaalsContact C-N 3.29Å; A69-N71 PolarHBondContact O-N 2.91Å; N71-Y106 PolarHBondContact ND2-OH 3.44Å; N71-Y106 WeakPolarHBondContact O-CD2 3.25Å; N71-Y106 WeakPolarHBondContact O-CE2 3.4Å; N71-Y106 PolarHBondContact OD1-OH 3.33Å; N71-S179 WeakPolarHBondContact OD1-CA 3.3Å; N71-S179 WeakPolarHBondContact OD1-CB 3.19Å; N71-S179 PolarHBondContact OD1-OG 3Å; N71-L182 HydrophobicContact CB-CB 4.49Å; N71-L182 HydrophobicContact CB-CD1 4.35Å; N71-W183 PolarHBondContact ND2-NE1 3.41Å; N71-W183 VanDerWaalsContact ND2-NE1 3.18Å
72F89.7Confident91.3Very high46 Ų4627.8 Ų27.820%0.20214%0.142CC..Hα-helixtrans-97.90.4-176.5-68.5-73.5000115.1I27 V68 A69 Y106 W183I27-F72 HydrophobicContact CD1-CB 4Å; I27-F72 HydrophobicContact CD1-CD2 3.38Å; I27-F72 HydrophobicContact CD1-CE2 4.08Å; I27-F72 HydrophobicContact CD1-CG 3.91Å; V68-F72 HydrophobicContact CG1-CD2 4Å; V68-F72 HydrophobicContact CG1-CE2 4.01Å; V68-F72 WeakPolarHBondContact O-CD2 3.46Å; V68-F72 PolarHBondContact O-N 3.46Å; A69-F72 PolarHBondContact O-N 3.36Å; F72-Y106 HydrophobicContact CD1-CE2 4.28Å; F72-Y106 HydrophobicContact CE1-CE2 4.41Å; F72-W183 HydrophobicContact CE2-CH2 4.21Å; F72-W183 AromaticContact CE2-CZ2 3.97Å; F72-W183 HydrophobicContact CE2-CZ2 3.97Å; F72-W183 HydrophobicContact CZ-CH2 4.38Å; F72-W183 AromaticContact CZ-CZ2 3.87Å; F72-W183 HydrophobicContact CZ-CZ2 3.87Å
73T88.4Confident91.1Very high13 Ų1323.4 Ų23.48%0.0812%0.124CC..  trans-73.1144.7177.9-169.10000111.5A69 L70 S75 W76 S247A69-T73 WeakPolarHBondContact O-CB 3.27Å; A69-T73 PolarHBondContact O-N 3.36Å; L70-T73 WeakPolarHBondContact O-CG2 3.5Å; T73-S75 PolarHBondContact OG1-N 3.04Å; T73-S75 PolarHBondContact OG1-OG 3.37Å; T73-S75 VanDerWaalsContact OG1-OG 3.09Å; T73-W76 HydrophobicContact CG2-CG 4.45Å; T73-S247 PolarHBondContact OG1-OG 3.26Å
74N84.3Confident90.9Very high29 Ų2928 Ų2816%0.15515%0.149CC..SBendtrans-95.84.4178.2-65.8-16.1000112.5H102 V103 G104N74-H102 CarbonylContact O-C 3.49Å; N74-H102 WeakPolarHBondContact O-CB 3.3Å; N74-V103 CarbonylContact O-C 3.55Å; N74-V103 PolarHBondContact O-N 3.33Å; N74-G104 PolarHBondContact O-N 3.29Å
75S86.7Confident90.7Very high28 Ų2828.2 Ų28.220%0.19615%0.15CC..  trans-125.159.9-170.7610000112.5T73 S245 S247T73-S75 PolarHBondContact OG1-N 3.04Å; T73-S75 PolarHBondContact OG1-OG 3.37Å; T73-S75 VanDerWaalsContact OG1-OG 3.09Å; S75-S245 VanDerWaalsContact O-CB 3.29Å; S75-S245 WeakPolarHBondContact O-CB 3.48Å; S75-S245 PolarHBondContact O-OG 2.99Å; S75-S247 WeakPolarHBondContact O-CB 3.12Å; S75-S247 PolarHBondContact O-OG 3Å; S75-S247 VanDerWaalsContact O-OG 3.1Å; S75-S247 PolarHBondContact OG-OG 2.94Å
76W91.4Very high90.6Very high0 Ų030.9 Ų30.90%017%0.166CC..SBendtrans-81.7-44.1170.9-82.673.3000111.7L70 T73 V103 L105 L182 F222 S245 F248 A251L70-W76 HydrophobicContact CB-CZ2 4.1Å; L70-W76 WeakPolarHBondContact O-CZ2 3.41Å; L70-W76 PolarHBondContact O-NE1 3.05Å; T73-W76 HydrophobicContact CG2-CG 4.45Å; W76-V103 WeakPolarHBondContact CA-O 3.46Å; W76-V103 WeakPolarHBondContact CB-O 3.34Å; W76-V103 PolarHBondContact N-O 3.03Å; W76-L105 HydrophobicContact CD2-CD2 3.73Å; W76-L105 HydrophobicContact CD2-CG 4.24Å; W76-L105 HydrophobicContact CE3-CD2 4.26Å; W76-L105 HydrophobicContact CG-CD2 3.99Å; W76-L105 HydrophobicContact CG-CG 4.31Å; W76-L105 HydrophobicContact CZ2-CD1 3.82Å; W76-L105 HydrophobicContact CZ2-CD2 4.12Å; W76-L105 HydrophobicContact CZ2-CG 4.22Å; W76-L182 HydrophobicContact CH2-CD1 3.98Å; W76-L182 HydrophobicContact CZ2-CD1 3.61Å; W76-F222 HydrophobicContact CB-CD1 4.46Å; W76-F222 HydrophobicContact CB-CD2 4.4Å; W76-F222 HydrophobicContact CB-CE1 3.77Å; W76-F222 HydrophobicContact CB-CE2 3.7Å; W76-F222 HydrophobicContact CB-CZ 3.34Å; W76-F222 HydrophobicContact CD2-CD2 4.45Å; W76-F222 HydrophobicContact CE3-CB 4.18Å; W76-F222 AromaticContact CE3-CD1 3.93Å; W76-F222 HydrophobicContact CE3-CD1 3.93Å; W76-F222 HydrophobicContact CE3-CD2 4.05Å; W76-F222 HydrophobicContact CE3-CE1 4.36Å; W76-F222 HydrophobicContact CE3-CE2 4.47Å; W76-F222 AromaticContact CE3-CG 3.77Å; W76-F222 HydrophobicContact CE3-CG 3.77Å; W76-F222 HydrophobicContact CG-CE2 4.26Å; W76-F222 HydrophobicContact CG-CZ 4.32Å; W76-F222 HydrophobicContact CZ3-CB 4.26Å; W76-F222 HydrophobicContact CZ3-CG 4.36Å; W76-S245 PolarHBondContact O-N 3.49Å; W76-F248 HydrophobicContact CE3-CD2 4.17Å; W76-F248 HydrophobicContact CZ3-CD2 4.28Å; W76-A251 HydrophobicContact CH2-CB 4.43Å
77A90.3Very high90.3Very high4 Ų431 Ų313%0.03317%0.166CC..EExtended strand (participates in β ladder)trans-124.3149.1167.100000109.7V103 F222 E243A77-V103 HydrophobicContact CB-CB 4.17Å; A77-V103 HydrophobicContact CB-CG2 4.45Å; A77-V103 PolarHBondContact N-O 3.49Å; A77-V103 PolarHBondContact O-N 3.36Å; A77-F222 HydrophobicContact CB-CE1 4.05Å; A77-F222 HydrophobicContact CB-CZ 4.02Å; A77-E243 CarbonylContact C-O 3.46Å; A77-E243 WeakPolarHBondContact CA-O 3.44Å; A77-E243 WeakPolarHBondContact CB-O 3.06Å
78E90.4Very high90Very high38 Ų3834.9 Ų34.918%0.17818%0.183CC..EExtended strand (participates in β ladder)trans-141.3144.1-175.4-177.2169.8-177.300110R80 L101 H102 E243 S245E78-R80 HydrophobicContact CG-CG 4.34Å; E78-R80 IonicContact OE1-CZ 2.7Å; E78-R80 IonicContact OE1-NE 2.79Å; E78-R80 PolarHBondContact OE1-NE 3.22Å; E78-R80 IonicContact OE1-NH2 2.65Å; E78-R80 PolarHBondContact OE1-NH2 2.85Å; E78-L101 CarbonylContact C-O 3.6Å; E78-L101 VanDerWaalsContact CA-O 3.3Å; E78-L101 WeakPolarHBondContact CA-O 3.13Å; E78-H102 IonicContact OE1-CE1 2.83Å; E78-H102 PolarHBondContact OE1-CE1 3.45Å; E78-H102 IonicContact OE1-ND1 3.44Å; E78-H102 IonicContact OE1-NE2 3.8Å; E78-H102 IonicContact OE2-CE1 4Å; E78-H102 IonicContact OE2-ND1 3.11Å; E78-E243 PolarHBondContact N-O 3.17Å; E78-E243 PolarHBondContact O-N 2.85Å; E78-S245 PolarHBondContact OE2-OG 3.27Å
79A88.8Confident89.6Confident6 Ų637.7 Ų37.75%0.0520%0.203CC..EExtended strand (participates in β ladder)trans-138.1137.3167.300000109G100 L101 F240 V241 T242A79-G100 CarbonylContact O-C 3.54Å; A79-G100 VanDerWaalsContact O-CA 3.27Å; A79-G100 WeakPolarHBondContact O-CA 3.15Å; A79-L101 HydrophobicContact CB-CB 4.46Å; A79-L101 PolarHBondContact N-O 2.84Å; A79-L101 PolarHBondContact O-N 2.86Å; A79-F240 HydrophobicContact CB-CD2 3.29Å; A79-F240 HydrophobicContact CB-CE2 3.75Å; A79-F240 HydrophobicContact CB-CG 4.27Å; A79-V241 WeakPolarHBondContact CB-O 3.28Å; A79-T242 HydrophobicContact CB-CG2 4.36Å
80R89.2Confident89.3Confident126 Ų12647.5 Ų47.548%0.47524%0.243SC..EExtended strand (participates in β ladder)trans-133.1140.2177.7-68.2-179.1179.9-83-13.4109.6E78 E98 V99 H102E78-R80 HydrophobicContact CG-CG 4.34Å; E78-R80 IonicContact OE1-CZ 2.7Å; E78-R80 IonicContact OE1-NE 2.79Å; E78-R80 PolarHBondContact OE1-NE 3.22Å; E78-R80 IonicContact OE1-NH2 2.65Å; E78-R80 PolarHBondContact OE1-NH2 2.85Å; R80-E98 WeakPolarHBondContact CD-OE1 3.29Å; R80-E98 IonicContact CZ-OE1 3.94Å; R80-E98 IonicContact NE-OE1 3.1Å; R80-E98 IonicContact NH1-OE1 2.74Å; R80-E98 PolarHBondContact NH1-OE1 2.79Å; R80-V99 WeakPolarHBondContact CA-O 3.31Å; R80-H102 PolarHBondContact NH2-CE1 2.85Å; R80-H102 PolarHBondContact NH2-NE2 3.47Å; R80-H102 VanDerWaalsContact NH2-NE2 3.18Å
81M89.4Confident89.1Confident19 Ų1949.2 Ų49.29%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-150138.7178.3172.7165.2112.200110T83 E98 V99 I235 D238 F240M81-T83 HydrophobicContact CE-CG2 3.42Å; M81-T83 VanDerWaalsContact CE-CG2 3.42Å; M81-T83 VanDerWaalsContact CE-OG1 3.27Å; M81-T83 WeakPolarHBondContact CE-OG1 3.37Å; M81-T83 HydrophobicContact CG-CG2 3.76Å; M81-T83 HydrophobicContact SD-CG2 4.02Å; M81-E98 CarbonylContact O-C 3.52Å; M81-E98 WeakPolarHBondContact O-CA 3.4Å; M81-V99 PolarHBondContact N-O 2.84Å; M81-V99 PolarHBondContact O-N 3.5Å; M81-I235 HydrophobicContact CE-CB 3.77Å; M81-I235 VanDerWaalsContact CE-O 3.3Å; M81-I235 WeakPolarHBondContact CE-O 3.16Å; M81-D238 HydrophobicContact CE-CB 3.66Å; M81-D238 HydrophobicContact CG-CB 4.38Å; M81-D238 HydrophobicContact SD-CB 3.36Å; M81-D238 WeakPolarHBondContact SD-CB 3.27Å; M81-F240 HydrophobicContact CB-CB 4.21Å; M81-F240 HydrophobicContact CB-CD1 4.06Å; M81-F240 HydrophobicContact CB-CG 4.39Å; M81-F240 HydrophobicContact CE-CD1 4.15Å; M81-F240 HydrophobicContact SD-CB 4.15Å; M81-F240 HydrophobicContact SD-CD1 3.79Å; M81-F240 HydrophobicContact SD-CG 4.45Å
82T90.8Very high88.7Confident89 Ų8957 Ų5755%0.54630%0.296SS..EExtended strand (participates in β ladder)trans-105109.3174.651.80000109.5A97 E98T82-A97 WeakPolarHBondContact CA-O 3.3Å; T82-E98 HydrophobicContact CG2-CB 4.05Å; T82-E98 HydrophobicContact CG2-CG 4.01Å
83T89.5Confident88.6Confident10 Ų1055.7 Ų55.76%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-140.9164.918046.80000115M81 V85 A97 D238M81-T83 HydrophobicContact CE-CG2 3.42Å; M81-T83 VanDerWaalsContact CE-CG2 3.42Å; M81-T83 VanDerWaalsContact CE-OG1 3.27Å; M81-T83 WeakPolarHBondContact CE-OG1 3.37Å; M81-T83 HydrophobicContact CG-CG2 3.76Å; M81-T83 HydrophobicContact SD-CG2 4.02Å; T83-V85 WeakPolarHBondContact OG1-CG1 3.35Å; T83-A97 PolarHBondContact N-O 3.11Å; T83-A97 PolarHBondContact O-N 2.78Å; T83-D238 HydrophobicContact CG2-CB 3.66Å; T83-D238 WeakPolarHBondContact CG2-OD2 3.5Å
84N91Very high88.6Confident104 Ų10458.6 Ų58.656%0.55631%0.312SS*.EExtended strand (participates in β ladder)trans-82.6115.5170.3-67.6-19.1000108.9V94 I95N84-V94 HydrophobicContact CB-CG1 3.7Å; N84-I95 CarbonylContact C-O 3.49Å; N84-I95 VanDerWaalsContact CA-O 3.31Å; N84-I95 WeakPolarHBondContact CA-O 3.46Å
85V89.3Confident88.9Confident4 Ų457.3 Ų57.32%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-129148.5-172-56.20000111.2T83 Y87 V94 I95 A97 V99 L112 P151 I235T83-V85 WeakPolarHBondContact OG1-CG1 3.35Å; V85-Y87 PolarHBondContact O-N 3.3Å; V85-V94 WeakPolarHBondContact O-CA 3.45Å; V85-I95 HydrophobicContact CG2-CD1 4.02Å; V85-I95 HydrophobicContact CG2-CG1 3.62Å; V85-I95 PolarHBondContact N-O 2.84Å; V85-I95 PolarHBondContact O-N 3.44Å; V85-A97 HydrophobicContact CG2-CB 4.3Å; V85-V99 HydrophobicContact CG1-CG2 4.48Å; V85-L112 HydrophobicContact CG2-CD1 4.49Å; V85-P151 HydrophobicContact CB-CG 3.8Å; V85-P151 HydrophobicContact CG1-CG 4.49Å; V85-P151 HydrophobicContact CG2-CG 3.56Å; V85-I235 HydrophobicContact CB-CG2 4.25Å; V85-I235 HydrophobicContact CG1-CG2 3.43Å; V85-I235 VanDerWaalsContact CG1-CG2 3.43Å
86T90.8Very high89.2Confident81 Ų8160.6 Ų60.650%0.49732%0.318SS..EExtended strand (participates in β ladder)trans-71.1126.9171.655.60000108.6P151T86-P151 WeakPolarHBondContact O-CD 3.43Å
87Y88.7Confident89.2Confident11 Ų1160.7 Ų60.74%0.04332%0.318CS..  trans-84.6-57.5-169174.1-129.5000113.1V85 A93 I95 E122 I124 Y126 P149 N150V85-Y87 PolarHBondContact O-N 3.3Å; Y87-A93 PolarHBondContact N-O 3.45Å; Y87-I95 HydrophobicContact CD2-CD1 3.51Å; Y87-I95 HydrophobicContact CE2-CD1 4.34Å; Y87-I95 HydrophobicContact CG-CD1 3.9Å; Y87-I95 HydrophobicContact CG-CG1 4.48Å; Y87-I95 HydrophobicContact CG-CG2 4.19Å; Y87-E122 WeakPolarHBondContact CE1-OE2 3.39Å; Y87-E122 PolarHBondContact OH-OE2 3.3Å; Y87-I124 HydrophobicContact CE2-CG1 4.43Å; Y87-Y126 HydrophobicContact CE2-CE2 4.02Å; Y87-Y126 PolarHBondContact OH-OH 2.89Å; Y87-P149 HydrophobicContact CD2-CB 4.02Å; Y87-P149 HydrophobicContact CD2-CG 4.25Å; Y87-P149 HydrophobicContact CE2-CB 4.05Å; Y87-P149 HydrophobicContact CE2-CG 3.75Å; Y87-P149 WeakPolarHBondContact O-CA 3.32Å; Y87-N150 PolarHBondContact O-N 2.89Å
88K88.4Confident89.3Confident83 Ų8362.8 Ų62.836%0.36133%0.327SS..SBendtrans-138.9152.4-171.867-176.6176.7-173.20112.6S91 E122K88-S91 PolarHBondContact O-N 2.97Å; K88-E122 IonicContact NZ-OE1 3.96Å; K88-E122 PolarHBondContact NZ-OE1 3.13Å
89S85.3Confident89.3Confident76 Ų7661 Ų6153%0.53132%0.319SS..THydrogen-bonded Turntrans-58149.9170.6-60.30000111.6S91S89-S91 PolarHBondContact O-N 3.15Å
90F87.4Confident89.5Confident224 Ų22460.8 Ų60.898%0.98232%0.317SS*.THydrogen-bonded Turntrans6117.1-177-49.9-80.6000115.2
91S87.8Confident89.6Confident40 Ų4054.8 Ų54.828%0.2829%0.294SS..  trans-136.1135.6170.8-170.90000110.2K88 S89 A93K88-S91 PolarHBondContact O-N 2.97Å; S89-S91 PolarHBondContact O-N 3.15Å; S91-A93 PolarHBondContact O-N 3.18Å; S91-A93 WeakPolarHBondContact OG-CB 3.13Å; S91-A93 PolarHBondContact OG-N 2.88Å
92N85.7Confident89.7Confident165 Ų16554.9 Ų54.988%0.88229%0.294SS*.  trans-89.212.1173-63.4-16.7000111.9V94N92-V94 PolarHBondContact O-N 3.4Å
93A86.7Confident89.7Confident19 Ų1950.7 Ų50.716%0.15727%0.269CS..  trans-68.8124179.200000110.5Y87 S91 F120Y87-A93 PolarHBondContact N-O 3.45Å; S91-A93 PolarHBondContact O-N 3.18Å; S91-A93 WeakPolarHBondContact OG-CB 3.13Å; S91-A93 PolarHBondContact OG-N 2.88Å; A93-F120 HydrophobicContact CB-CD1 4.46Å; A93-F120 HydrophobicContact CB-CD2 4.41Å; A93-F120 HydrophobicContact CB-CE1 4.21Å; A93-F120 HydrophobicContact CB-CE2 4.16Å; A93-F120 HydrophobicContact CB-CZ 4.06Å
94V89.5Confident89.7Confident75 Ų7550.3 Ų50.346%0.45527%0.267SS..EExtended strand (participates in β ladder)trans-99.2127.7172.3-176.80000107.6N84 V85 N92N84-V94 HydrophobicContact CB-CG1 3.7Å; V85-V94 WeakPolarHBondContact O-CA 3.45Å; N92-V94 PolarHBondContact O-N 3.4Å
95I90.5Very high89.7Confident1 Ų145.5 Ų45.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-105.9146.6178.559.6170.1000109.4N84 V85 Y87 A97 L112 F120 I124N84-I95 CarbonylContact C-O 3.49Å; N84-I95 VanDerWaalsContact CA-O 3.31Å; N84-I95 WeakPolarHBondContact CA-O 3.46Å; V85-I95 HydrophobicContact CG2-CD1 4.02Å; V85-I95 HydrophobicContact CG2-CG1 3.62Å; V85-I95 PolarHBondContact N-O 2.84Å; V85-I95 PolarHBondContact O-N 3.44Å; Y87-I95 HydrophobicContact CD2-CD1 3.51Å; Y87-I95 HydrophobicContact CE2-CD1 4.34Å; Y87-I95 HydrophobicContact CG-CD1 3.9Å; Y87-I95 HydrophobicContact CG-CG1 4.48Å; Y87-I95 HydrophobicContact CG-CG2 4.19Å; I95-A97 HydrophobicContact CD1-CB 4Å; I95-A97 HydrophobicContact CG1-CB 4.27Å; I95-L112 HydrophobicContact CD1-CD2 4.41Å; I95-F120 HydrophobicContact CG2-CD2 3.82Å; I95-F120 HydrophobicContact CG2-CE2 3.8Å; I95-I124 HydrophobicContact CB-CD1 4.13Å; I95-I124 HydrophobicContact CD1-CD1 3.84Å; I95-I124 HydrophobicContact CD1-CG2 4.17Å; I95-I124 HydrophobicContact CG2-CD1 3.77Å
96Q92Very high89.6Confident98 Ų9847.5 Ų47.546%0.45825%0.248SC..EExtended strand (participates in β ladder)trans-89.6110.5168.1-173.1173.413.400108.1N115 Q119Q96-N115 PolarHBondContact O-N 3.18Å; Q96-Q119 VanDerWaalsContact N-OE1 3.17Å; Q96-Q119 PolarHBondContact O-NE2 3.49Å
97A91.8Very high89.6Confident1 Ų143.7 Ų43.71%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-137.1147.2-174.200000112.6T82 T83 V85 I95 L112 R113T82-A97 WeakPolarHBondContact CA-O 3.3Å; T83-A97 PolarHBondContact N-O 3.11Å; T83-A97 PolarHBondContact O-N 2.78Å; V85-A97 HydrophobicContact CG2-CB 4.3Å; I95-A97 HydrophobicContact CD1-CB 4Å; I95-A97 HydrophobicContact CG1-CB 4.27Å; A97-L112 HydrophobicContact CB-CD1 3.61Å; A97-L112 HydrophobicContact CB-CG 4.38Å; A97-R113 CarbonylContact C-O 3.18Å; A97-R113 VanDerWaalsContact CA-O 3.27Å; A97-R113 WeakPolarHBondContact CA-O 3.45Å
98E92.4Very high89.6Confident49 Ų4943.3 Ų43.323%0.22922%0.224CC..EExtended strand (participates in β ladder)trans-83.7117.3164.2-169.5-173.1159.700108.5R80 M81 T82 L112 R113R80-E98 WeakPolarHBondContact CD-OE1 3.29Å; R80-E98 IonicContact CZ-OE1 3.94Å; R80-E98 IonicContact NE-OE1 3.1Å; R80-E98 IonicContact NH1-OE1 2.74Å; R80-E98 PolarHBondContact NH1-OE1 2.79Å; M81-E98 CarbonylContact O-C 3.52Å; M81-E98 WeakPolarHBondContact O-CA 3.4Å; T82-E98 HydrophobicContact CG2-CB 4.05Å; T82-E98 HydrophobicContact CG2-CG 4.01Å; E98-L112 WeakPolarHBondContact O-CA 3.13Å; E98-R113 HydrophobicContact CB-CB 4.49Å; E98-R113 PolarHBondContact N-O 3.46Å; E98-R113 PolarHBondContact O-N 2.94Å
99V91.4Very high89.8Confident1 Ų140.3 Ų40.31%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-100.3122.1173-174.70000107.7R80 M81 V85 T111 L112 P151 I155 I235R80-V99 WeakPolarHBondContact CA-O 3.31Å; M81-V99 PolarHBondContact N-O 2.84Å; M81-V99 PolarHBondContact O-N 3.5Å; V85-V99 HydrophobicContact CG1-CG2 4.48Å; V99-T111 WeakPolarHBondContact CA-O 3.11Å; V99-L112 HydrophobicContact CG2-CD1 3.72Å; V99-P151 HydrophobicContact CG2-CB 4.41Å; V99-I155 HydrophobicContact CG1-CD1 3.43Å; V99-I155 VanDerWaalsContact CG1-CD1 3.43Å; V99-I235 HydrophobicContact CG1-CD1 4.23Å
100G91.6Very high90.1Very high0 Ų036.7 Ų36.70%019%0.186CC..EExtended strand (participates in β ladder)trans-121.4125.5177.700000111.4A79 V110 T111A79-G100 CarbonylContact O-C 3.54Å; A79-G100 VanDerWaalsContact O-CA 3.27Å; A79-G100 WeakPolarHBondContact O-CA 3.15Å; G100-V110 WeakPolarHBondContact O-CA 3.3Å; G100-T111 WeakPolarHBondContact CA-OG1 3.39Å; G100-T111 PolarHBondContact N-O 3.45Å; G100-T111 PolarHBondContact N-OG1 3.29Å; G100-T111 PolarHBondContact O-N 3.1Å; G100-T111 PolarHBondContact O-OG1 3.49Å; G100-T111 VanDerWaalsContact O-OG1 3.08Å
101L91.2Very high90.3Very high0 Ų027.1 Ų27.10%015%0.146CC..EExtended strand (participates in β ladder)trans-103.2118.8170.2172.462.3000108.9E78 A79 V103 I108 V110 I155 F159 F233 F240 T242E78-L101 CarbonylContact C-O 3.6Å; E78-L101 VanDerWaalsContact CA-O 3.3Å; E78-L101 WeakPolarHBondContact CA-O 3.13Å; A79-L101 HydrophobicContact CB-CB 4.46Å; A79-L101 PolarHBondContact N-O 2.84Å; A79-L101 PolarHBondContact O-N 2.86Å; L101-V103 HydrophobicContact CD1-CG2 4.37Å; L101-V103 HydrophobicContact CD2-CG2 4.4Å; L101-V103 HydrophobicContact CG-CG2 4.13Å; L101-I108 HydrophobicContact CD1-CB 4.13Å; L101-I108 HydrophobicContact CD1-CG2 4.2Å; L101-V110 HydrophobicContact CD1-CG2 4.16Å; L101-I155 HydrophobicContact CD1-CG2 3.93Å; L101-I155 HydrophobicContact CD2-CG2 4.41Å; L101-F159 HydrophobicContact CD1-CE2 4.2Å; L101-F159 HydrophobicContact CD2-CE2 4.02Å; L101-F159 HydrophobicContact CD2-CZ 4.08Å; L101-F233 HydrophobicContact CD2-CE1 4.32Å; L101-F233 HydrophobicContact CD2-CE2 4.22Å; L101-F233 HydrophobicContact CD2-CZ 3.92Å; L101-F240 HydrophobicContact CB-CE2 4.06Å; L101-F240 HydrophobicContact CD2-CE2 4.21Å; L101-T242 HydrophobicContact CD2-CG2 3.99Å
102H91.4Very high90.4Very high22 Ų2225.2 Ų25.210%0.10213%0.133CC..EExtended strand (participates in β ladder)trans-112.9120.3174.9-64.8-88.4000109.2N74 E78 R80 I108 N109N74-H102 CarbonylContact O-C 3.49Å; N74-H102 WeakPolarHBondContact O-CB 3.3Å; E78-H102 IonicContact OE1-CE1 2.83Å; E78-H102 PolarHBondContact OE1-CE1 3.45Å; E78-H102 IonicContact OE1-ND1 3.44Å; E78-H102 IonicContact OE1-NE2 3.8Å; E78-H102 IonicContact OE2-CE1 4Å; E78-H102 IonicContact OE2-ND1 3.11Å; R80-H102 PolarHBondContact NH2-CE1 2.85Å; R80-H102 PolarHBondContact NH2-NE2 3.47Å; R80-H102 VanDerWaalsContact NH2-NE2 3.18Å; H102-I108 CarbonylContact O-C 3.52Å; H102-I108 WeakPolarHBondContact O-CA 3.47Å; H102-N109 HydrophobicContact CB-CB 4.12Å; H102-N109 WeakPolarHBondContact CB-O 3.37Å; H102-N109 PolarHBondContact N-O 2.81Å; H102-N109 PolarHBondContact O-N 2.81Å
103V90.5Very high90.8Very high1 Ų123.5 Ų23.51%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-103.8120.8-179.9-175.70000108.8N74 W76 A77 L101 I108 W132 Y171 F222 T242N74-V103 CarbonylContact O-C 3.55Å; N74-V103 PolarHBondContact O-N 3.33Å; W76-V103 WeakPolarHBondContact CA-O 3.46Å; W76-V103 WeakPolarHBondContact CB-O 3.34Å; W76-V103 PolarHBondContact N-O 3.03Å; A77-V103 HydrophobicContact CB-CB 4.17Å; A77-V103 HydrophobicContact CB-CG2 4.45Å; A77-V103 PolarHBondContact N-O 3.49Å; A77-V103 PolarHBondContact O-N 3.36Å; L101-V103 HydrophobicContact CD1-CG2 4.37Å; L101-V103 HydrophobicContact CD2-CG2 4.4Å; L101-V103 HydrophobicContact CG-CG2 4.13Å; V103-I108 HydrophobicContact CB-CG2 4.48Å; V103-I108 HydrophobicContact CG1-CG2 4.32Å; V103-I108 HydrophobicContact CG2-CG2 4.19Å; V103-W132 HydrophobicContact CG1-CZ2 4.37Å; V103-Y171 HydrophobicContact CB-CE1 4.33Å; V103-Y171 HydrophobicContact CG1-CD1 3.44Å; V103-Y171 VanDerWaalsContact CG1-CD1 3.44Å; V103-Y171 HydrophobicContact CG1-CE1 3.61Å; V103-Y171 HydrophobicContact CG2-CE1 4.04Å; V103-F222 HydrophobicContact CG1-CZ 4.48Å; V103-T242 HydrophobicContact CG2-CG2 4.49Å
104G91Very high91Very high2 Ų222.8 Ų22.82%0.02111%0.109CC..  trans-105.1-178.717100000112.7N74 G107 W132N74-G104 PolarHBondContact O-N 3.29Å; G104-G107 CarbonylContact C-O 3.47Å; G104-G107 WeakPolarHBondContact CA-O 3.37Å; G104-G107 PolarHBondContact N-O 3.09Å; G104-W132 PolarHBondContact O-NE1 2.91Å
105L89.9Confident91.1Very high2 Ų223.9 Ų23.91%0.0111%0.112CC..SBendtrans-73.8-28.4176.9-58.3-177.9000113.1W76 W132 A178 L182 F222W76-L105 HydrophobicContact CD2-CD2 3.73Å; W76-L105 HydrophobicContact CD2-CG 4.24Å; W76-L105 HydrophobicContact CE3-CD2 4.26Å; W76-L105 HydrophobicContact CG-CD2 3.99Å; W76-L105 HydrophobicContact CG-CG 4.31Å; W76-L105 HydrophobicContact CZ2-CD1 3.82Å; W76-L105 HydrophobicContact CZ2-CD2 4.12Å; W76-L105 HydrophobicContact CZ2-CG 4.22Å; L105-W132 PolarHBondContact O-NE1 2.93Å; L105-A178 HydrophobicContact CD2-CB 3.77Å; L105-L182 HydrophobicContact CD1-CD1 3.6Å; L105-F222 HydrophobicContact CD2-CD2 3.95Å; L105-F222 HydrophobicContact CD2-CE2 4.26Å
106Y88.3Confident91.1Very high47 Ų4728 Ų2818%0.18414%0.139CC..SBendtrans-108.5-5.2-174.2-67.8-71.3000114.3N71 F72 S131 W132 H133 S179 W183N71-Y106 PolarHBondContact ND2-OH 3.44Å; N71-Y106 WeakPolarHBondContact O-CD2 3.25Å; N71-Y106 WeakPolarHBondContact O-CE2 3.4Å; N71-Y106 PolarHBondContact OD1-OH 3.33Å; F72-Y106 HydrophobicContact CD1-CE2 4.28Å; F72-Y106 HydrophobicContact CE1-CE2 4.41Å; Y106-S131 WeakPolarHBondContact O-CA 3.41Å; Y106-S131 PolarHBondContact O-OG 3.42Å; Y106-W132 PolarHBondContact O-N 2.8Å; Y106-H133 AromaticContact CD1-CE1 3.73Å; Y106-S179 VanDerWaalsContact CZ-OG 3.31Å; Y106-S179 PolarHBondContact OH-OG 3.37Å; Y106-W183 PolarHBondContact OH-NE1 3Å
107G89.1Confident91Very high1 Ų126.3 Ų26.31%0.0113%0.132CC..EExtended strand (participates in β ladder)trans175.5-175-179.900000112.8G104 F130G104-G107 CarbonylContact C-O 3.47Å; G104-G107 WeakPolarHBondContact CA-O 3.37Å; G104-G107 PolarHBondContact N-O 3.09Å; G107-F130 CarbonylContact C-O 3.56Å; G107-F130 WeakPolarHBondContact CA-O 3.41Å
108I90.5Very high90.9Very high3 Ų330.4 Ų30.42%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-110.5152.2168.755.3176.4000109.9L101 H102 V103 V110 M129 F130 W132 F159L101-I108 HydrophobicContact CD1-CB 4.13Å; L101-I108 HydrophobicContact CD1-CG2 4.2Å; H102-I108 CarbonylContact O-C 3.52Å; H102-I108 WeakPolarHBondContact O-CA 3.47Å; V103-I108 HydrophobicContact CB-CG2 4.48Å; V103-I108 HydrophobicContact CG1-CG2 4.32Å; V103-I108 HydrophobicContact CG2-CG2 4.19Å; I108-V110 HydrophobicContact CD1-CG2 4.4Å; I108-M129 WeakPolarHBondContact O-CA 3.42Å; I108-F130 HydrophobicContact CG1-CB 3.92Å; I108-F130 HydrophobicContact CG1-CD2 4.47Å; I108-F130 PolarHBondContact N-O 2.85Å; I108-F130 PolarHBondContact O-N 3.16Å; I108-W132 HydrophobicContact CB-CH2 4.42Å; I108-W132 HydrophobicContact CG2-CH2 3.34Å; I108-W132 HydrophobicContact CG2-CZ2 3.58Å; I108-W132 HydrophobicContact CG2-CZ3 4.23Å; I108-F159 HydrophobicContact CD1-CB 4.11Å; I108-F159 HydrophobicContact CD1-CD2 3.5Å; I108-F159 VanDerWaalsContact CD1-CD2 3.5Å; I108-F159 HydrophobicContact CD1-CE2 4.02Å; I108-F159 HydrophobicContact CD1-CG 3.85Å; I108-F159 HydrophobicContact CG2-CE1 4.35Å; I108-F159 HydrophobicContact CG2-CE2 4.48Å; I108-F159 HydrophobicContact CG2-CZ 4.29Å
109N91.3Very high90.7Very high19 Ų1929.3 Ų29.310%0.10215%0.152CC..EExtended strand (participates in β ladder)trans-125.7122.2171.2-178.615000108.5H102 N127 E128H102-N109 HydrophobicContact CB-CB 4.12Å; H102-N109 WeakPolarHBondContact CB-O 3.37Å; H102-N109 PolarHBondContact N-O 2.81Å; H102-N109 PolarHBondContact O-N 2.81Å; N109-N127 VanDerWaalsContact CG-OD1 3.24Å; N109-N127 PolarHBondContact ND2-OD1 3.43Å; N109-N127 PolarHBondContact OD1-OD1 3.19Å; N109-E128 WeakPolarHBondContact CA-O 3.49Å; N109-E128 PolarHBondContact OD1-O 3.49Å
110V91.2Very high90.5Very high0 Ų035.6 Ų35.60%018%0.179CC..EExtended strand (participates in β ladder)trans-110123.3-178.2-1720000108.5G100 L101 I108 E128 I152 I155 V156G100-V110 WeakPolarHBondContact O-CA 3.3Å; L101-V110 HydrophobicContact CD1-CG2 4.16Å; I108-V110 HydrophobicContact CD1-CG2 4.4Å; V110-E128 PolarHBondContact N-O 2.75Å; V110-E128 PolarHBondContact O-N 2.96Å; V110-I152 HydrophobicContact CB-CG2 4.26Å; V110-I152 HydrophobicContact CG1-CB 4.39Å; V110-I152 HydrophobicContact CG1-CG1 4.11Å; V110-I152 HydrophobicContact CG1-CG2 4.23Å; V110-I155 HydrophobicContact CG1-CB 4.44Å; V110-I155 HydrophobicContact CG1-CD1 3.85Å; V110-I155 HydrophobicContact CG1-CG2 4.45Å; V110-I155 HydrophobicContact CG2-CB 4.45Å; V110-I155 HydrophobicContact CG2-CG2 3.83Å; V110-V156 HydrophobicContact CG2-CG2 4.25Å
111T91.4Very high90.4Very high23 Ų2343.6 Ų43.614%0.14122%0.222CC..EExtended strand (participates in β ladder)trans-109.8137.1179.859.40000109.8V99 G100 Y126V99-T111 WeakPolarHBondContact CA-O 3.11Å; G100-T111 WeakPolarHBondContact CA-OG1 3.39Å; G100-T111 PolarHBondContact N-O 3.45Å; G100-T111 PolarHBondContact N-OG1 3.29Å; G100-T111 PolarHBondContact O-N 3.1Å; G100-T111 PolarHBondContact O-OG1 3.49Å; G100-T111 VanDerWaalsContact O-OG1 3.08Å; T111-Y126 VanDerWaalsContact CA-O 3.31Å; T111-Y126 WeakPolarHBondContact CA-O 3.27Å
112L91.8Very high90.2Very high0 Ų046.4 Ų46.40%024%0.235CC..EExtended strand (participates in β ladder)trans-132.9108.2173.4179.472.7000108.1V85 I95 A97 E98 V99 I124 N125 Y126 P149 P151 I152V85-L112 HydrophobicContact CG2-CD1 4.49Å; I95-L112 HydrophobicContact CD1-CD2 4.41Å; A97-L112 HydrophobicContact CB-CD1 3.61Å; A97-L112 HydrophobicContact CB-CG 4.38Å; E98-L112 WeakPolarHBondContact O-CA 3.13Å; V99-L112 HydrophobicContact CG2-CD1 3.72Å; L112-I124 HydrophobicContact CD2-CG2 4.25Å; L112-I124 HydrophobicContact CG-CG2 4.1Å; L112-N125 WeakPolarHBondContact O-CA 3.07Å; L112-Y126 HydrophobicContact CB-CD2 4.45Å; L112-Y126 HydrophobicContact CD2-CD2 4.16Å; L112-Y126 PolarHBondContact N-O 3.17Å; L112-Y126 PolarHBondContact O-N 3.19Å; L112-P149 HydrophobicContact CD2-CB 3.59Å; L112-P149 HydrophobicContact CD2-CG 3.89Å; L112-P151 HydrophobicContact CD1-CB 4.33Å; L112-P151 HydrophobicContact CD1-CG 4.34Å; L112-I152 HydrophobicContact CB-CD1 4Å; L112-I152 HydrophobicContact CB-CG1 4.12Å; L112-I152 HydrophobicContact CD2-CD1 4.45Å; L112-I152 HydrophobicContact CD2-CG1 4.46Å
113R92.6Very high90.1Very high129 Ų12950 Ų5049%0.48726%0.259SS..EExtended strand (participates in β ladder)trans-119.8121.6-176.7-172.7179.8-176.9-175.21.5110.7A97 E98A97-R113 CarbonylContact C-O 3.18Å; A97-R113 VanDerWaalsContact CA-O 3.27Å; A97-R113 WeakPolarHBondContact CA-O 3.45Å; E98-R113 HydrophobicContact CB-CB 4.49Å; E98-R113 PolarHBondContact N-O 3.46Å; E98-R113 PolarHBondContact O-N 2.94Å
114G91.7Very high90Very high4 Ų450 Ų504%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-67.1144.2175.700000112.4P116 I117 I124G114-P116 CarbonylContact C-O 3.01Å; G114-P116 WeakPolarHBondContact CA-O 3.45Å; G114-P116 CarbonylContact O-C 3.44Å; G114-I117 WeakPolarHBondContact O-CA 3.34Å; G114-I117 PolarHBondContact O-N 3.35Å; G114-I124 PolarHBondContact N-O 3.44Å
115N91.4Very high89.9Confident98 Ų9854.4 Ų54.452%0.52428%0.282SS..EExtended strand (participates in β ladder)trans-12293.2168.7-17415.1000110.1Q96 Q119Q96-N115 PolarHBondContact O-N 3.18Å; N115-Q119 VanDerWaalsContact C-NE2 3.35Å; N115-Q119 VanDerWaalsContact N-NE2 3.18Å; N115-Q119 PolarHBondContact O-NE2 2.93Å
116P91.3Very high89.9Confident87 Ų8757.2 Ų57.257%0.56529%0.293SS*.EExtended strand (participates in β ladder)cis-74.4167.13.431.9-36.4000113.4G114 V118 Q119G114-P116 CarbonylContact C-O 3.01Å; G114-P116 WeakPolarHBondContact CA-O 3.45Å; G114-P116 CarbonylContact O-C 3.44Å; P116-V118 VanDerWaalsContact C-N 3.31Å; P116-V118 PolarHBondContact O-N 2.97Å; P116-Q119 HydrophobicContact CG-CG 4.25Å; P116-Q119 VanDerWaalsContact O-CG 3.31Å; P116-Q119 WeakPolarHBondContact O-CG 3.31Å; P116-Q119 PolarHBondContact O-NE2 3.42Å
117I88.5Confident90Very high63 Ų6359.6 Ų59.632%0.32331%0.309SS..EExtended strand (participates in β ladder)trans-63.8-36.6-174.5-61.5171000112.1G114 T123 I124 N125G114-I117 WeakPolarHBondContact O-CA 3.34Å; G114-I117 PolarHBondContact O-N 3.35Å; I117-T123 HydrophobicContact CG2-CG2 3.81Å; I117-I124 PolarHBondContact O-N 3.27Å; I117-N125 HydrophobicContact CG2-CB 4.48Å
118V91Very high90Very high88 Ų8861.7 Ų61.753%0.53332%0.318SS..EExtended strand (participates in β ladder)trans-97.7112.3177.4-177.20000108.6P116 E122P116-V118 VanDerWaalsContact C-N 3.31Å; P116-V118 PolarHBondContact O-N 2.97Å; V118-E122 VanDerWaalsContact CA-O 3.31Å; V118-E122 WeakPolarHBondContact CA-O 3.21Å
119Q88.4Confident89.9Confident25 Ų2564.7 Ų64.712%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-132.4142.9174-6117737.700108.4Q96 N115 P116 N121 E122 I124Q96-Q119 VanDerWaalsContact N-OE1 3.17Å; Q96-Q119 PolarHBondContact O-NE2 3.49Å; N115-Q119 VanDerWaalsContact C-NE2 3.35Å; N115-Q119 VanDerWaalsContact N-NE2 3.18Å; N115-Q119 PolarHBondContact O-NE2 2.93Å; P116-Q119 HydrophobicContact CG-CG 4.25Å; P116-Q119 VanDerWaalsContact O-CG 3.31Å; P116-Q119 WeakPolarHBondContact O-CG 3.31Å; P116-Q119 PolarHBondContact O-NE2 3.42Å; Q119-N121 PolarHBondContact O-N 2.88Å; Q119-N121 VanDerWaalsContact O-N 3.16Å; Q119-E122 PolarHBondContact N-O 3.28Å; Q119-E122 PolarHBondContact O-N 3.08Å; Q119-E122 VanDerWaalsContact O-O 3.13Å; Q119-I124 HydrophobicContact CB-CD1 3.84Å; Q119-I124 HydrophobicContact CG-CD1 4.34Å
120F86.6Confident89.7Confident133 Ų13364.6 Ų64.658%0.58333%0.332SS*.THydrogen-bonded Turntrans52.138.2179.9-57.1-79.3000113.9A93 I95 E122A93-F120 HydrophobicContact CB-CD1 4.46Å; A93-F120 HydrophobicContact CB-CD2 4.41Å; A93-F120 HydrophobicContact CB-CE1 4.21Å; A93-F120 HydrophobicContact CB-CE2 4.16Å; A93-F120 HydrophobicContact CB-CZ 4.06Å; I95-F120 HydrophobicContact CG2-CD2 3.82Å; I95-F120 HydrophobicContact CG2-CE2 3.8Å; F120-E122 PolarHBondContact O-N 3.34Å
121N88.9Confident89.6Confident168 Ų16865.8 Ų65.890%0.89834%0.34SS*.THydrogen-bonded Turntrans58.818.2-175.4-64.8-16.3000115.1Q119Q119-N121 PolarHBondContact O-N 2.88Å; Q119-N121 VanDerWaalsContact O-N 3.16Å
122E87.1Confident89.2Confident60 Ų6065.9 Ų65.928%0.2834%0.338SS..EExtended strand (participates in β ladder)trans-118.5147.8176.3-66-175.2-150.900110.7Y87 K88 V118 Q119 F120Y87-E122 WeakPolarHBondContact CE1-OE2 3.39Å; Y87-E122 PolarHBondContact OH-OE2 3.3Å; K88-E122 IonicContact NZ-OE1 3.96Å; K88-E122 PolarHBondContact NZ-OE1 3.13Å; V118-E122 VanDerWaalsContact CA-O 3.31Å; V118-E122 WeakPolarHBondContact CA-O 3.21Å; Q119-E122 PolarHBondContact N-O 3.28Å; Q119-E122 PolarHBondContact O-N 3.08Å; Q119-E122 VanDerWaalsContact O-O 3.13Å; F120-E122 PolarHBondContact O-N 3.34Å
123T89.5Confident88.1Confident97 Ų9771.3 Ų71.360%0.59536%0.363SS*.EExtended strand (participates in β ladder)trans-93.6107.9177-57.90000109.1I117 N125I117-T123 HydrophobicContact CG2-CG2 3.81Å; T123-N125 PolarHBondContact O-N 2.89Å
124I88.3Confident86.6Confident1 Ų169.3 Ų69.31%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-95.691.2-175.8-53.7168.8000108.6Y87 I95 L112 G114 I117 Q119 Y126Y87-I124 HydrophobicContact CE2-CG1 4.43Å; I95-I124 HydrophobicContact CB-CD1 4.13Å; I95-I124 HydrophobicContact CD1-CD1 3.84Å; I95-I124 HydrophobicContact CD1-CG2 4.17Å; I95-I124 HydrophobicContact CG2-CD1 3.77Å; L112-I124 HydrophobicContact CD2-CG2 4.25Å; L112-I124 HydrophobicContact CG-CG2 4.1Å; G114-I124 PolarHBondContact N-O 3.44Å; I117-I124 PolarHBondContact O-N 3.27Å; Q119-I124 HydrophobicContact CB-CD1 3.84Å; Q119-I124 HydrophobicContact CG-CD1 4.34Å; I124-Y126 HydrophobicContact CG2-CD2 4.23Å; I124-Y126 HydrophobicContact CG2-CE2 4.27Å
125N89.7Confident85.2Confident94 Ų9473.7 Ų73.750%0.50338%0.383SS..EExtended strand (participates in β ladder)trans-149.275175.7-173.221.7000110.2L112 I117 T123L112-N125 WeakPolarHBondContact O-CA 3.07Å; I117-N125 HydrophobicContact CG2-CB 4.48Å; T123-N125 PolarHBondContact O-N 2.89Å
126Y89.5Confident84.1Confident62 Ų6270 Ų7024%0.24337%0.366CS..EExtended strand (participates in β ladder)trans-94.5142.1-179.4-62.7-93.4000110.7Y87 T111 L112 I124 P149 I152Y87-Y126 HydrophobicContact CE2-CE2 4.02Å; Y87-Y126 PolarHBondContact OH-OH 2.89Å; T111-Y126 VanDerWaalsContact CA-O 3.31Å; T111-Y126 WeakPolarHBondContact CA-O 3.27Å; L112-Y126 HydrophobicContact CB-CD2 4.45Å; L112-Y126 HydrophobicContact CD2-CD2 4.16Å; L112-Y126 PolarHBondContact N-O 3.17Å; L112-Y126 PolarHBondContact O-N 3.19Å; I124-Y126 HydrophobicContact CG2-CD2 4.23Å; I124-Y126 HydrophobicContact CG2-CE2 4.27Å; Y126-P149 HydrophobicContact CD1-CG 4.31Å; Y126-P149 HydrophobicContact CD2-CG 3.99Å; Y126-P149 HydrophobicContact CE1-CG 4.06Å; Y126-P149 HydrophobicContact CE2-CG 3.72Å; Y126-P149 HydrophobicContact CG-CG 4.28Å; Y126-I152 HydrophobicContact CG-CD1 4.1Å
127N90.1Very high83.4Confident96 Ų9670.9 Ų70.951%0.51336%0.363SS..EExtended strand (participates in β ladder)trans-145.586.2177.8-177.831000107.1N109N109-N127 VanDerWaalsContact CG-OD1 3.24Å; N109-N127 PolarHBondContact ND2-OD1 3.43Å; N109-N127 PolarHBondContact OD1-OD1 3.19Å
128E89.5Confident83.2Confident45 Ų4573 Ų7321%0.2137%0.372CS..EExtended strand (participates in β ladder)trans-108.1126.8-172.6-64.2-75.418000109.4N109 V110 F130 K146 L148 I152N109-E128 WeakPolarHBondContact CA-O 3.49Å; N109-E128 PolarHBondContact OD1-O 3.49Å; V110-E128 PolarHBondContact N-O 2.75Å; V110-E128 PolarHBondContact O-N 2.96Å; E128-F130 HydrophobicContact CB-CE2 3.83Å; E128-F130 HydrophobicContact CB-CZ 4.28Å; E128-K146 IonicContact OE1-NZ 3.66Å; E128-K146 PolarHBondContact OE1-NZ 2.88Å; E128-K146 IonicContact OE2-NZ 3.27Å; E128-K146 PolarHBondContact OE2-NZ 3.26Å; E128-L148 HydrophobicContact CB-CD1 4.47Å; E128-L148 HydrophobicContact CG-CD1 3.99Å; E128-L148 HydrophobicContact CG-CD2 4.15Å; E128-L148 WeakPolarHBondContact OE1-CD2 3.42Å; E128-I152 HydrophobicContact CB-CG2 4.48Å; E128-I152 HydrophobicContact CG-CD1 4.39Å
129M87.6Confident82.9Confident67 Ų6771 Ų7133%0.3336%0.356SS..EExtended strand (participates in β ladder)trans-108131.5-178.4-178.9176.6179.600109.7I108I108-M129 WeakPolarHBondContact O-CA 3.42Å
130F88.3Confident82.9Confident16 Ų1671.4 Ų71.47%0.0736%0.357CS..EExtended strand (participates in β ladder)trans-119.5128.7177.6-61.3-90.8000109.1G107 I108 E128 E139 A143 L148 I152 V156G107-F130 CarbonylContact C-O 3.56Å; G107-F130 WeakPolarHBondContact CA-O 3.41Å; I108-F130 HydrophobicContact CG1-CB 3.92Å; I108-F130 HydrophobicContact CG1-CD2 4.47Å; I108-F130 PolarHBondContact N-O 2.85Å; I108-F130 PolarHBondContact O-N 3.16Å; E128-F130 HydrophobicContact CB-CE2 3.83Å; E128-F130 HydrophobicContact CB-CZ 4.28Å; F130-E139 WeakPolarHBondContact CA-OE2 3.43Å; F130-E139 HydrophobicContact CD1-CB 4.34Å; F130-A143 HydrophobicContact CE1-CB 3.83Å; F130-A143 HydrophobicContact CZ-CB 4.11Å; F130-L148 HydrophobicContact CZ-CD1 4.02Å; F130-I152 HydrophobicContact CE2-CG2 4.19Å; F130-I152 HydrophobicContact CZ-CG2 4.4Å; F130-V156 HydrophobicContact CD1-CG1 3.93Å; F130-V156 HydrophobicContact CD1-CG2 4.36Å; F130-V156 HydrophobicContact CD2-CG1 4.46Å; F130-V156 HydrophobicContact CD2-CG2 3.55Å; F130-V156 HydrophobicContact CE1-CG1 3.97Å; F130-V156 HydrophobicContact CE1-CG2 4.12Å; F130-V156 HydrophobicContact CE2-CG2 3.27Å; F130-V156 HydrophobicContact CG-CG1 4.17Å; F130-V156 HydrophobicContact CG-CG2 4.1Å; F130-V156 HydrophobicContact CZ-CB 4.5Å; F130-V156 HydrophobicContact CZ-CG1 4.28Å; F130-V156 HydrophobicContact CZ-CG2 3.59Å
131S87.6Confident83.1Confident26 Ų2670.6 Ų70.618%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-90.5153.5-177.4-166.30000112.3Y106 H133 E139Y106-S131 WeakPolarHBondContact O-CA 3.41Å; Y106-S131 PolarHBondContact O-OG 3.42Å; S131-H133 PolarHBondContact OG-N 3.28Å; S131-E139 PolarHBondContact N-OE2 3.18Å
132W82.9Confident83.1Confident25 Ų2568.9 Ų68.910%0.09534%0.342CS..SBendtrans-79.3-18.1167.8-50.1137.5000113.7V103 G104 L105 Y106 I108 F159 I168V103-W132 HydrophobicContact CG1-CZ2 4.37Å; G104-W132 PolarHBondContact O-NE1 2.91Å; L105-W132 PolarHBondContact O-NE1 2.93Å; Y106-W132 PolarHBondContact O-N 2.8Å; I108-W132 HydrophobicContact CB-CH2 4.42Å; I108-W132 HydrophobicContact CG2-CH2 3.34Å; I108-W132 HydrophobicContact CG2-CZ2 3.58Å; I108-W132 HydrophobicContact CG2-CZ3 4.23Å; W132-F159 AromaticContact CH2-CD1 3.62Å; W132-F159 HydrophobicContact CH2-CD1 3.62Å; W132-F159 AromaticContact CH2-CE1 3.99Å; W132-F159 HydrophobicContact CH2-CE1 3.99Å; W132-F159 HydrophobicContact CH2-CG 4.31Å; W132-F159 HydrophobicContact CZ3-CB 4.26Å; W132-F159 AromaticContact CZ3-CD1 3.97Å; W132-F159 HydrophobicContact CZ3-CD1 3.97Å; W132-F159 HydrophobicContact CZ3-CG 4.38Å; W132-I168 HydrophobicContact CD2-CD1 4.35Å; W132-I168 HydrophobicContact CE3-CD1 3.27Å; W132-I168 HydrophobicContact CH2-CD1 4.47Å; W132-I168 HydrophobicContact CZ3-CD1 3.35Å
133H69.1Low83.3Confident114 Ų11466.2 Ų66.253%0.52833%0.33SS..SBendtrans-79.6-37.7-173.2-85.669000112.5Y106 S131Y106-H133 AromaticContact CD1-CE1 3.73Å; S131-H133 PolarHBondContact OG-N 3.28Å
134D61.9Low83.4Confident87 Ų8765.4 Ų65.447%0.46532%0.322SS..SBendtrans-75.2154.1175-62.7-55.2000109.5A136 E139D134-A136 VanDerWaalsContact C-N 3.3Å; D134-A136 PolarHBondContact O-N 3.45Å; D134-E139 HydrophobicContact CB-CG 3.94Å
135I62.2Low83.6Confident95 Ų9571.8 Ų71.849%0.48735%0.354SS..  trans-59.9102.5173.8-62.5166.3000104.9E137 E138 E139I135-E137 HydrophobicContact CG2-CB 4.04Å; I135-E137 PolarHBondContact O-N 3.27Å; I135-E138 HydrophobicContact CB-CB 4.44Å; I135-E138 HydrophobicContact CB-CG 4.05Å; I135-E138 WeakPolarHBondContact CD1-OE1 3.35Å; I135-E138 HydrophobicContact CG2-CG 4.15Å; I135-E138 PolarHBondContact O-N 3.24Å; I135-E139 PolarHBondContact O-N 2.78Å
136A68.5Low83.7Confident20 Ų2073.6 Ų73.617%0.16536%0.358CS..Hα-helixtrans-53.8-20.3-171.800000112.8D134 Y140D134-A136 VanDerWaalsContact C-N 3.3Å; D134-A136 PolarHBondContact O-N 3.45Å; A136-Y140 WeakPolarHBondContact O-CB 3.46Å; A136-Y140 PolarHBondContact O-N 3.34Å
137E77.1Confident83.8Confident107 Ų10773.4 Ų73.450%0.537%0.374SS..Hα-helixtrans-73.4-37.9173.9-161.6161.3-157.800113.5I135 Y140 E141I135-E137 HydrophobicContact CG2-CB 4.04Å; I135-E137 PolarHBondContact O-N 3.27Å; E137-Y140 PolarHBondContact O-N 2.91Å; E137-E141 WeakPolarHBondContact O-CB 3.11Å; E137-E141 PolarHBondContact O-N 3.09Å
138E84Confident83.9Confident107 Ų10769.3 Ų69.350%0.535%0.353SS..Hα-helixtrans-70.1-45.7176.8-68.1-177.2-176.800111.7I135 Y140 E141 Q142I135-E138 HydrophobicContact CB-CB 4.44Å; I135-E138 HydrophobicContact CB-CG 4.05Å; I135-E138 WeakPolarHBondContact CD1-OE1 3.35Å; I135-E138 HydrophobicContact CG2-CG 4.15Å; I135-E138 PolarHBondContact O-N 3.24Å; E138-Y140 VanDerWaalsContact C-N 3.26Å; E138-Y140 PolarHBondContact O-N 3.33Å; E138-E141 PolarHBondContact O-N 2.95Å; E138-Q142 WeakPolarHBondContact O-CG 3.43Å; E138-Q142 PolarHBondContact O-N 3.19Å
139E84.8Confident84.1Confident46 Ų4667.5 Ų67.522%0.21535%0.345CS..Hα-helixtrans-62.4-37.3174.8-74.4-164.515200111.2F130 S131 D134 I135 Q142 A143F130-E139 WeakPolarHBondContact CA-OE2 3.43Å; F130-E139 HydrophobicContact CD1-CB 4.34Å; S131-E139 PolarHBondContact N-OE2 3.18Å; D134-E139 HydrophobicContact CB-CG 3.94Å; I135-E139 PolarHBondContact O-N 2.78Å; E139-Q142 PolarHBondContact O-N 2.89Å; E139-A143 WeakPolarHBondContact O-CB 3.43Å; E139-A143 PolarHBondContact O-N 3.48Å
140Y87.9Confident84.3Confident34 Ų3466.5 Ų66.513%0.13334%0.341CS..Hα-helixtrans-67.2-42.5175178.7-116.3000112.2A136 E137 E138 Q142 A143 L144 L153 V156 E157 T160A136-Y140 WeakPolarHBondContact O-CB 3.46Å; A136-Y140 PolarHBondContact O-N 3.34Å; E137-Y140 PolarHBondContact O-N 2.91Å; E138-Y140 VanDerWaalsContact C-N 3.26Å; E138-Y140 PolarHBondContact O-N 3.33Å; Y140-Q142 VanDerWaalsContact C-N 3.34Å; Y140-Q142 PolarHBondContact O-N 3.44Å; Y140-A143 WeakPolarHBondContact O-CB 3.35Å; Y140-A143 PolarHBondContact O-N 3.02Å; Y140-L144 HydrophobicContact CD1-CD1 3.94Å; Y140-L144 HydrophobicContact CE1-CD1 3.51Å; Y140-L144 HydrophobicContact CE1-CG 4.2Å; Y140-L144 HydrophobicContact CE2-CD1 4.43Å; Y140-L144 HydrophobicContact CE2-CD2 4.42Å; Y140-L144 HydrophobicContact CE2-CG 4.24Å; Y140-L144 WeakPolarHBondContact O-CG 3.39Å; Y140-L144 PolarHBondContact O-N 3.21Å; Y140-L153 HydrophobicContact CE2-CD2 4.16Å; Y140-V156 HydrophobicContact CD2-CB 4.16Å; Y140-V156 HydrophobicContact CD2-CG1 3.59Å; Y140-V156 HydrophobicContact CE2-CB 4.44Å; Y140-V156 HydrophobicContact CE2-CG1 4.33Å; Y140-V156 HydrophobicContact CG-CG1 4.37Å; Y140-E157 HydrophobicContact CE2-CB 4.22Å; Y140-T160 HydrophobicContact CD1-CG2 3.99Å; Y140-T160 HydrophobicContact CE1-CG2 4.4Å; Y140-T160 HydrophobicContact CG-CG2 4.07Å
141E89.8Confident84.4Confident116 Ų11666 Ų6654%0.54234%0.339SS..Hα-helixtrans-61.2-43.2174.8-172.4-179.4-179.300111.1E137 E138 A143 L144 I145E137-E141 WeakPolarHBondContact O-CB 3.11Å; E137-E141 PolarHBondContact O-N 3.09Å; E138-E141 PolarHBondContact O-N 2.95Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.44Å; E141-L144 WeakPolarHBondContact O-CB 3.15Å; E141-L144 PolarHBondContact O-N 3.25Å; E141-I145 HydrophobicContact CG-CD1 4.03Å; E141-I145 VanDerWaalsContact O-CG1 3.29Å; E141-I145 WeakPolarHBondContact O-CG1 3.36Å; E141-I145 PolarHBondContact O-N 3.16Å
142Q90.4Very high84.6Confident131 Ų13164.8 Ų64.861%0.61233%0.331SS*.Hα-helixtrans-62.6-39174.6-71-179.710.200112.2E138 E139 Y140 L144 I145 K146E138-Q142 WeakPolarHBondContact O-CG 3.43Å; E138-Q142 PolarHBondContact O-N 3.19Å; E139-Q142 PolarHBondContact O-N 2.89Å; Y140-Q142 VanDerWaalsContact C-N 3.34Å; Y140-Q142 PolarHBondContact O-N 3.44Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-I145 PolarHBondContact O-N 2.87Å; Q142-K146 VanDerWaalsContact O-CB 3.25Å; Q142-K146 WeakPolarHBondContact O-CB 3.45Å; Q142-K146 PolarHBondContact O-N 3.3Å
143A89.9Confident85Confident5 Ų564.6 Ų64.64%0.04133%0.331CS..Hα-helixtrans-64.3-37.217400000112.7F130 E139 Y140 E141 G147 L148 L153F130-A143 HydrophobicContact CE1-CB 3.83Å; F130-A143 HydrophobicContact CZ-CB 4.11Å; E139-A143 WeakPolarHBondContact O-CB 3.43Å; E139-A143 PolarHBondContact O-N 3.48Å; Y140-A143 WeakPolarHBondContact O-CB 3.35Å; Y140-A143 PolarHBondContact O-N 3.02Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.44Å; A143-G147 PolarHBondContact O-N 3.38Å; A143-L148 HydrophobicContact CB-CD1 3.65Å; A143-L148 HydrophobicContact CB-CG 4.3Å; A143-L148 PolarHBondContact O-N 3.49Å; A143-L153 HydrophobicContact CB-CD2 4.06Å
144L91.8Very high86Confident80 Ų8062.5 Ų62.542%0.41932%0.319SS..Hα-helixtrans-65.7-46.7172.9-73.1170.6000111.3Y140 E141 Q142 K146 G147 L153Y140-L144 HydrophobicContact CD1-CD1 3.94Å; Y140-L144 HydrophobicContact CE1-CD1 3.51Å; Y140-L144 HydrophobicContact CE1-CG 4.2Å; Y140-L144 HydrophobicContact CE2-CD1 4.43Å; Y140-L144 HydrophobicContact CE2-CD2 4.42Å; Y140-L144 HydrophobicContact CE2-CG 4.24Å; Y140-L144 WeakPolarHBondContact O-CG 3.39Å; Y140-L144 PolarHBondContact O-N 3.21Å; E141-L144 WeakPolarHBondContact O-CB 3.15Å; E141-L144 PolarHBondContact O-N 3.25Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.24Å; L144-G147 PolarHBondContact O-N 3.24Å; L144-L153 HydrophobicContact CD2-CD1 3.86Å; L144-L153 HydrophobicContact CD2-CD2 3.91Å; L144-L153 HydrophobicContact CD2-CG 4.39Å; L144-L153 HydrophobicContact CG-CD2 4.27Å
145I93Very high87.4Confident134 Ų13458.4 Ų58.469%0.68730%0.297SS*.Hα-helixtrans-62.5-39.5177.5-66.8165.6000111E141 Q142 G147E141-I145 HydrophobicContact CG-CD1 4.03Å; E141-I145 VanDerWaalsContact O-CG1 3.29Å; E141-I145 WeakPolarHBondContact O-CG1 3.36Å; E141-I145 PolarHBondContact O-N 3.16Å; Q142-I145 PolarHBondContact O-N 2.87Å; I145-G147 PolarHBondContact O-N 2.83Å
146K91.4Very high88.7Confident133 Ų13354.2 Ų54.258%0.57828%0.276SS*.Hα-helixtrans-65.6-20.6175.3-171.1-177.8177.8-165.80112.4E128 Q142 L144 L148E128-K146 IonicContact OE1-NZ 3.66Å; E128-K146 PolarHBondContact OE1-NZ 2.88Å; E128-K146 IonicContact OE2-NZ 3.27Å; E128-K146 PolarHBondContact OE2-NZ 3.26Å; Q142-K146 VanDerWaalsContact O-CB 3.25Å; Q142-K146 WeakPolarHBondContact O-CB 3.45Å; Q142-K146 PolarHBondContact O-N 3.3Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.24Å; K146-L148 HydrophobicContact CD-CD2 3.95Å; K146-L148 HydrophobicContact CD-CG 4.37Å; K146-L148 HydrophobicContact CG-CD2 4.42Å
147G92Very high89.7Confident57 Ų5757.9 Ų57.959%0.58829%0.29SS*.THydrogen-bonded Turntrans72.144.7179.900000112.9A143 L144 I145A143-G147 PolarHBondContact O-N 3.38Å; L144-G147 PolarHBondContact O-N 3.24Å; I145-G147 PolarHBondContact O-N 2.83Å
148L92.7Very high90.1Very high11 Ų1154.3 Ų54.36%0.05827%0.272CS..  trans-59.7155.2175.3-69-175.7000112E128 F130 A143 K146 I152 L153E128-L148 HydrophobicContact CB-CD1 4.47Å; E128-L148 HydrophobicContact CG-CD1 3.99Å; E128-L148 HydrophobicContact CG-CD2 4.15Å; E128-L148 WeakPolarHBondContact OE1-CD2 3.42Å; F130-L148 HydrophobicContact CZ-CD1 4.02Å; A143-L148 HydrophobicContact CB-CD1 3.65Å; A143-L148 HydrophobicContact CB-CG 4.3Å; A143-L148 PolarHBondContact O-N 3.49Å; K146-L148 HydrophobicContact CD-CD2 3.95Å; K146-L148 HydrophobicContact CD-CG 4.37Å; K146-L148 HydrophobicContact CG-CD2 4.42Å; L148-I152 HydrophobicContact CD1-CG2 4.14Å; L148-L153 HydrophobicContact CB-CD2 4.07Å; L148-L153 HydrophobicContact CB-CG 4.12Å; L148-L153 WeakPolarHBondContact O-CD1 3.27Å
149P92.6Very high90.2Very high6 Ų649.4 Ų49.44%0.03925%0.25CC..  trans-54.4143.8176.6-2734000113.4Y87 L112 Y126 P151 I152 L153Y87-P149 HydrophobicContact CD2-CB 4.02Å; Y87-P149 HydrophobicContact CD2-CG 4.25Å; Y87-P149 HydrophobicContact CE2-CB 4.05Å; Y87-P149 HydrophobicContact CE2-CG 3.75Å; Y87-P149 WeakPolarHBondContact O-CA 3.32Å; L112-P149 HydrophobicContact CD2-CB 3.59Å; L112-P149 HydrophobicContact CD2-CG 3.89Å; Y126-P149 HydrophobicContact CD1-CG 4.31Å; Y126-P149 HydrophobicContact CD2-CG 3.99Å; Y126-P149 HydrophobicContact CE1-CG 4.06Å; Y126-P149 HydrophobicContact CE2-CG 3.72Å; Y126-P149 HydrophobicContact CG-CG 4.28Å; P149-P151 VanDerWaalsContact C-N 3.34Å; P149-I152 HydrophobicContact CG-CD1 4.32Å; P149-I152 PolarHBondContact O-N 2.81Å; P149-L153 PolarHBondContact O-N 2.99Å
150N91.9Very high90.3Very high47 Ų4747.4 Ų47.425%0.25124%0.241SC..Hα-helixtrans-52.5-40.6-177-63.1-10.9000114.2Y87 I152 L153 Y154Y87-N150 PolarHBondContact O-N 2.89Å; N150-I152 VanDerWaalsContact C-N 3.29Å; N150-I152 PolarHBondContact O-N 3.38Å; N150-L153 PolarHBondContact O-N 3.34Å; N150-Y154 WeakPolarHBondContact O-CB 3.25Å; N150-Y154 PolarHBondContact O-N 3.43Å
151P91.4Very high90Very high5 Ų549.9 Ų49.93%0.03226%0.256CS..Hα-helixtrans-65.1-33.1-179-21.534.4000112.9V85 T86 V99 L112 P149 I155V85-P151 HydrophobicContact CB-CG 3.8Å; V85-P151 HydrophobicContact CG1-CG 4.49Å; V85-P151 HydrophobicContact CG2-CG 3.56Å; T86-P151 WeakPolarHBondContact O-CD 3.43Å; V99-P151 HydrophobicContact CG2-CB 4.41Å; L112-P151 HydrophobicContact CD1-CB 4.33Å; L112-P151 HydrophobicContact CD1-CG 4.34Å; P149-P151 VanDerWaalsContact C-N 3.34Å; P151-I155 WeakPolarHBondContact O-CG1 3.24Å; P151-I155 PolarHBondContact O-N 3.31Å
152I91.8Very high89.5Confident1 Ų148.7 Ų48.71%0.00526%0.26CS..Hα-helixtrans-70-50.4177.6-61.8-179.2000109V110 L112 Y126 E128 F130 L148 P149 N150 Y154 I155 V156V110-I152 HydrophobicContact CB-CG2 4.26Å; V110-I152 HydrophobicContact CG1-CB 4.39Å; V110-I152 HydrophobicContact CG1-CG1 4.11Å; V110-I152 HydrophobicContact CG1-CG2 4.23Å; L112-I152 HydrophobicContact CB-CD1 4Å; L112-I152 HydrophobicContact CB-CG1 4.12Å; L112-I152 HydrophobicContact CD2-CD1 4.45Å; L112-I152 HydrophobicContact CD2-CG1 4.46Å; Y126-I152 HydrophobicContact CG-CD1 4.1Å; E128-I152 HydrophobicContact CB-CG2 4.48Å; E128-I152 HydrophobicContact CG-CD1 4.39Å; F130-I152 HydrophobicContact CE2-CG2 4.19Å; F130-I152 HydrophobicContact CZ-CG2 4.4Å; L148-I152 HydrophobicContact CD1-CG2 4.14Å; P149-I152 HydrophobicContact CG-CD1 4.32Å; P149-I152 PolarHBondContact O-N 2.81Å; N150-I152 VanDerWaalsContact C-N 3.29Å; N150-I152 PolarHBondContact O-N 3.38Å; I152-Y154 VanDerWaalsContact C-N 3.3Å; I152-Y154 PolarHBondContact O-N 3.4Å; I152-I155 PolarHBondContact O-N 2.82Å; I152-V156 HydrophobicContact CG2-CG2 4.3Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.5Å; I152-V156 PolarHBondContact O-N 3.46Å
153L91.8Very high89Confident21 Ų2143.1 Ų43.111%0.1124%0.236CC..Hα-helixtrans-57.9-43.4178.6-66.4173.9000111.7Y140 A143 L144 L148 P149 N150 I155 V156 E157Y140-L153 HydrophobicContact CE2-CD2 4.16Å; A143-L153 HydrophobicContact CB-CD2 4.06Å; L144-L153 HydrophobicContact CD2-CD1 3.86Å; L144-L153 HydrophobicContact CD2-CD2 3.91Å; L144-L153 HydrophobicContact CD2-CG 4.39Å; L144-L153 HydrophobicContact CG-CD2 4.27Å; L148-L153 HydrophobicContact CB-CD2 4.07Å; L148-L153 HydrophobicContact CB-CG 4.12Å; L148-L153 WeakPolarHBondContact O-CD1 3.27Å; P149-L153 PolarHBondContact O-N 2.99Å; N150-L153 PolarHBondContact O-N 3.34Å; L153-I155 PolarHBondContact O-N 3.32Å; L153-V156 PolarHBondContact O-N 2.01Å; L153-E157 VanDerWaalsContact O-CB 3.31Å; L153-E157 WeakPolarHBondContact O-CB 3.28Å; L153-E157 PolarHBondContact O-N 3.27Å
154Y90.2Very high88.5Confident70 Ų7049.8 Ų49.828%0.27528%0.279SS..Hα-helixtrans-58.6-43.2177.1174.4-100.9000113N150 I152 K158 S234 I235N150-Y154 WeakPolarHBondContact O-CB 3.25Å; N150-Y154 PolarHBondContact O-N 3.43Å; I152-Y154 VanDerWaalsContact C-N 3.3Å; I152-Y154 PolarHBondContact O-N 3.4Å; Y154-K158 WeakPolarHBondContact O-CG 3.11Å; Y154-K158 WeakPolarHBondContact OH-CE 3.27Å; Y154-K158 PolarHBondContact OH-NZ 3.31Å; Y154-S234 WeakPolarHBondContact CE1-O 3.44Å; Y154-S234 PolarHBondContact OH-O 3.16Å; Y154-S234 VanDerWaalsContact OH-O 3.08Å; Y154-I235 HydrophobicContact CD1-CD1 4.16Å; Y154-I235 HydrophobicContact CD1-CG1 3.91Å; Y154-I235 HydrophobicContact CE1-CD1 4.48Å; Y154-I235 HydrophobicContact CE1-CG1 3.84Å
155I89.9Confident87.8Confident0 Ų047.7 Ų47.70%027%0.27CS..Hα-helixtrans-67.3-47179-70.6169.8000110V99 L101 V110 P151 I152 L153 E157 K158 F159 F233 I235 F240V99-I155 HydrophobicContact CG1-CD1 3.43Å; V99-I155 VanDerWaalsContact CG1-CD1 3.43Å; L101-I155 HydrophobicContact CD1-CG2 3.93Å; L101-I155 HydrophobicContact CD2-CG2 4.41Å; V110-I155 HydrophobicContact CG1-CB 4.44Å; V110-I155 HydrophobicContact CG1-CD1 3.85Å; V110-I155 HydrophobicContact CG1-CG2 4.45Å; V110-I155 HydrophobicContact CG2-CB 4.45Å; V110-I155 HydrophobicContact CG2-CG2 3.83Å; P151-I155 WeakPolarHBondContact O-CG1 3.24Å; P151-I155 PolarHBondContact O-N 3.31Å; I152-I155 PolarHBondContact O-N 2.82Å; L153-I155 PolarHBondContact O-N 3.32Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.38Å; I155-K158 WeakPolarHBondContact O-CB 3.49Å; I155-K158 PolarHBondContact O-N 2.83Å; I155-K158 VanDerWaalsContact O-N 3.14Å; I155-F159 HydrophobicContact CG2-CD2 4.5Å; I155-F159 HydrophobicContact CG2-CE2 4.22Å; I155-F159 VanDerWaalsContact O-CD2 3.31Å; I155-F159 WeakPolarHBondContact O-CD2 3.36Å; I155-F233 HydrophobicContact CG2-CE1 4.44Å; I155-I235 HydrophobicContact CD1-CD1 4.11Å; I155-I235 HydrophobicContact CG1-CD1 4.23Å; I155-F240 HydrophobicContact CD1-CZ 3.95Å; I155-F240 HydrophobicContact CG1-CZ 4.35Å
156V89.8Confident87Confident7 Ų742.5 Ų42.54%0.04225%0.249CC..Hα-helixtrans-63.8-39.1-178.1178.40000111V110 F130 Y140 I152 L153 K158 F159 T160V110-V156 HydrophobicContact CG2-CG2 4.25Å; F130-V156 HydrophobicContact CD1-CG1 3.93Å; F130-V156 HydrophobicContact CD1-CG2 4.36Å; F130-V156 HydrophobicContact CD2-CG1 4.46Å; F130-V156 HydrophobicContact CD2-CG2 3.55Å; F130-V156 HydrophobicContact CE1-CG1 3.97Å; F130-V156 HydrophobicContact CE1-CG2 4.12Å; F130-V156 HydrophobicContact CE2-CG2 3.27Å; F130-V156 HydrophobicContact CG-CG1 4.17Å; F130-V156 HydrophobicContact CG-CG2 4.1Å; F130-V156 HydrophobicContact CZ-CB 4.5Å; F130-V156 HydrophobicContact CZ-CG1 4.28Å; F130-V156 HydrophobicContact CZ-CG2 3.59Å; Y140-V156 HydrophobicContact CD2-CB 4.16Å; Y140-V156 HydrophobicContact CD2-CG1 3.59Å; Y140-V156 HydrophobicContact CE2-CB 4.44Å; Y140-V156 HydrophobicContact CE2-CG1 4.33Å; Y140-V156 HydrophobicContact CG-CG1 4.37Å; I152-V156 HydrophobicContact CG2-CG2 4.3Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.5Å; I152-V156 PolarHBondContact O-N 3.46Å; L153-V156 PolarHBondContact O-N 2.01Å; V156-K158 PolarHBondContact O-N 2.88Å; V156-F159 CarbonylContact O-C 3.57Å; V156-F159 WeakPolarHBondContact O-CA 3.31Å; V156-F159 PolarHBondContact O-N 3.33Å; V156-T160 PolarHBondContact O-N 3.46Å
157E88.7Confident86.4Confident97 Ų9736.5 Ų36.545%0.45322%0.224SC..Hα-helixtrans-55.5-34.5175.4-171.6-179.2-174.900111.9Y140 L153 I155 F159 T160 S163Y140-E157 HydrophobicContact CE2-CB 4.22Å; L153-E157 VanDerWaalsContact O-CB 3.31Å; L153-E157 WeakPolarHBondContact O-CB 3.28Å; L153-E157 PolarHBondContact O-N 3.27Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.38Å; E157-F159 PolarHBondContact O-N 3.24Å; E157-T160 PolarHBondContact O-N 3.44Å; E157-T160 PolarHBondContact O-OG1 3.21Å; E157-S163 WeakPolarHBondContact O-CB 2.97Å
158K87.1Confident86Confident32 Ų3234.4 Ų34.414%0.13920%0.199CC..THydrogen-bonded Turntrans-70.5-15.6176.6-58.4-155.8-170.6-137.50114.3Y154 I155 V156 S163 M167 V232 F233Y154-K158 WeakPolarHBondContact O-CG 3.11Å; Y154-K158 WeakPolarHBondContact OH-CE 3.27Å; Y154-K158 PolarHBondContact OH-NZ 3.31Å; I155-K158 WeakPolarHBondContact O-CB 3.49Å; I155-K158 PolarHBondContact O-N 2.83Å; I155-K158 VanDerWaalsContact O-N 3.14Å; V156-K158 PolarHBondContact O-N 2.88Å; K158-S163 PolarHBondContact O-OG 2.8Å; K158-M167 HydrophobicContact CB-CE 3.49Å; K158-M167 VanDerWaalsContact CB-CE 3.49Å; K158-M167 HydrophobicContact CD-CE 4.12Å; K158-M167 HydrophobicContact CG-CE 4.46Å; K158-M167 WeakPolarHBondContact O-CE 3.42Å; K158-V232 PolarHBondContact NZ-O 3.28Å; K158-F233 HydrophobicContact CB-CE1 4.1Å; K158-F233 HydrophobicContact CD-CD1 3.59Å; K158-F233 HydrophobicContact CD-CE1 3.63Å; K158-F233 HydrophobicContact CD-CG 4.47Å; K158-F233 HydrophobicContact CG-CD1 4.47Å; K158-F233 HydrophobicContact CG-CE1 4.26Å
159F86.1Confident85.6Confident5 Ų538.7 Ų38.72%0.02222%0.217CC..THydrogen-bonded Turntrans-102.111.7175.7-68.5-83.6000112.4L101 I108 W132 I155 V156 E157 M167 I168 Y171 F233L101-F159 HydrophobicContact CD1-CE2 4.2Å; L101-F159 HydrophobicContact CD2-CE2 4.02Å; L101-F159 HydrophobicContact CD2-CZ 4.08Å; I108-F159 HydrophobicContact CD1-CB 4.11Å; I108-F159 HydrophobicContact CD1-CD2 3.5Å; I108-F159 VanDerWaalsContact CD1-CD2 3.5Å; I108-F159 HydrophobicContact CD1-CE2 4.02Å; I108-F159 HydrophobicContact CD1-CG 3.85Å; I108-F159 HydrophobicContact CG2-CE1 4.35Å; I108-F159 HydrophobicContact CG2-CE2 4.48Å; I108-F159 HydrophobicContact CG2-CZ 4.29Å; W132-F159 AromaticContact CH2-CD1 3.62Å; W132-F159 HydrophobicContact CH2-CD1 3.62Å; W132-F159 AromaticContact CH2-CE1 3.99Å; W132-F159 HydrophobicContact CH2-CE1 3.99Å; W132-F159 HydrophobicContact CH2-CG 4.31Å; W132-F159 HydrophobicContact CZ3-CB 4.26Å; W132-F159 AromaticContact CZ3-CD1 3.97Å; W132-F159 HydrophobicContact CZ3-CD1 3.97Å; W132-F159 HydrophobicContact CZ3-CG 4.38Å; I155-F159 HydrophobicContact CG2-CD2 4.5Å; I155-F159 HydrophobicContact CG2-CE2 4.22Å; I155-F159 VanDerWaalsContact O-CD2 3.31Å; I155-F159 WeakPolarHBondContact O-CD2 3.36Å; V156-F159 CarbonylContact O-C 3.57Å; V156-F159 WeakPolarHBondContact O-CA 3.31Å; V156-F159 PolarHBondContact O-N 3.33Å; E157-F159 PolarHBondContact O-N 3.24Å; F159-M167 HydrophobicContact CD1-CB 4.19Å; F159-M167 HydrophobicContact CE1-CB 4.22Å; F159-I168 VanDerWaalsContact O-CB 3.27Å; F159-I168 WeakPolarHBondContact O-CB 3.34Å; F159-I168 WeakPolarHBondContact O-CD1 3.46Å; F159-I168 WeakPolarHBondContact O-CG1 2.79Å; F159-Y171 AromaticContact CE1-CD2 3.84Å; F159-Y171 HydrophobicContact CE1-CD2 3.84Å; F159-Y171 HydrophobicContact CE1-CE2 4Å; F159-Y171 HydrophobicContact CE1-CG 4.12Å; F159-F233 HydrophobicContact CE2-CE1 4.01Å; F159-F233 AromaticContact CE2-CZ 3.9Å; F159-F233 HydrophobicContact CE2-CZ 3.9Å; F159-F233 AromaticContact CZ-CZ 3.99Å; F159-F233 HydrophobicContact CZ-CZ 3.99Å
160T86Confident85.3Confident4 Ų442.5 Ų42.53%0.02523%0.234CC..SBendtrans-82.6160.4171.566.30000111.4Y140 V156 E157 S162 S163Y140-T160 HydrophobicContact CD1-CG2 3.99Å; Y140-T160 HydrophobicContact CE1-CG2 4.4Å; Y140-T160 HydrophobicContact CG-CG2 4.07Å; V156-T160 PolarHBondContact O-N 3.46Å; E157-T160 PolarHBondContact O-N 3.44Å; E157-T160 PolarHBondContact O-OG1 3.21Å; T160-S162 VanDerWaalsContact C-N 3.28Å; T160-S162 PolarHBondContact O-N 3.26Å; T160-S162 PolarHBondContact OG1-OG 3.15Å; T160-S163 WeakPolarHBondContact O-CB 3.04Å; T160-S163 PolarHBondContact O-N 3.19Å; T160-S163 PolarHBondContact O-OG 2.97Å; T160-S163 PolarHBondContact OG1-N 2.99Å
161L82.8Confident85.1Confident86 Ų8641 Ų4145%0.4523%0.225SC..THydrogen-bonded Turntrans-65.1-31.1176.4-71.5164.7000112.9S163 I168 F169L161-S163 VanDerWaalsContact C-N 3.27Å; L161-I168 HydrophobicContact CD2-CG2 3.96Å; L161-F169 HydrophobicContact CD2-CE1 3.89Å; L161-F169 HydrophobicContact CD2-CE2 3.96Å; L161-F169 HydrophobicContact CD2-CZ 3.43Å; L161-F169 VanDerWaalsContact CD2-CZ 3.43Å
162S78.6Confident84.9Confident90 Ų9041.6 Ų41.663%0.62923%0.23SC*.THydrogen-bonded Turntrans-79.7-9.1179540000113.3T160T160-S162 VanDerWaalsContact C-N 3.28Å; T160-S162 PolarHBondContact O-N 3.26Å; T160-S162 PolarHBondContact OG1-OG 3.15Å
163S80.6Confident84.7Confident15 Ų1548 Ų4811%0.10526%0.255CS..SBendtrans-64.9136-179.8720000111.6E157 K158 T160 L161 C165 G166E157-S163 WeakPolarHBondContact O-CB 2.97Å; K158-S163 PolarHBondContact O-OG 2.8Å; T160-S163 WeakPolarHBondContact O-CB 3.04Å; T160-S163 PolarHBondContact O-N 3.19Å; T160-S163 PolarHBondContact O-OG 2.97Å; T160-S163 PolarHBondContact OG1-N 2.99Å; L161-S163 VanDerWaalsContact C-N 3.27Å; S163-C165 PolarHBondContact O-N 3.2Å; S163-G166 PolarHBondContact O-N 3.46Å
164P78.7Confident84.7Confident145 Ų14547.2 Ų47.294%0.94225%0.251SS*.THydrogen-bonded Turntrans-60.3-17.3177-24.933.7000114.1
165C77.5Confident84.7Confident36 Ų3643.9 Ų43.924%0.24324%0.238CC..THydrogen-bonded Turntrans-88.4-19.5-173.3-134.10000113.9S163 M167 C231S163-C165 PolarHBondContact O-N 3.2Å; C165-M167 HydrophobicContact CB-CE 4.31Å; C165-M167 HydrophobicContact CB-CG 4.17Å; C165-M167 PolarHBondContact O-N 3.5Å; C165-C231 HydrophobicContact CB-CB 4.14Å; C165-C231 WeakPolarHBondContact CB-SG 3.42Å; C165-C231 VanDerWaalsContact SG-CA 3.51Å; C165-C231 WeakPolarHBondContact SG-CB 3.43Å; C165-C231 CovalentContact SG-SG 2.01Å; C165-C231 PolarHBondContact SG-SG 3.27Å
166G74.9Confident84.8Confident24 Ų2450.8 Ų50.825%0.24726%0.264CS..  trans56.922.6176.300000115S163 I168 F169S163-G166 PolarHBondContact O-N 3.46Å; G166-I168 PolarHBondContact O-N 3.12Å; G166-F169 PolarHBondContact O-N 3.17Å
167M80Confident84.9Confident8 Ų856.8 Ų56.84%0.03929%0.29CS..Hα-helixtrans-62.1-34.5-174.9-75.2-168-73.300112K158 F159 C165 F169 Q170 Y171 C231 F233K158-M167 HydrophobicContact CB-CE 3.49Å; K158-M167 VanDerWaalsContact CB-CE 3.49Å; K158-M167 HydrophobicContact CD-CE 4.12Å; K158-M167 HydrophobicContact CG-CE 4.46Å; K158-M167 WeakPolarHBondContact O-CE 3.42Å; F159-M167 HydrophobicContact CD1-CB 4.19Å; F159-M167 HydrophobicContact CE1-CB 4.22Å; C165-M167 HydrophobicContact CB-CE 4.31Å; C165-M167 HydrophobicContact CB-CG 4.17Å; C165-M167 PolarHBondContact O-N 3.5Å; M167-F169 VanDerWaalsContact C-N 3.25Å; M167-F169 PolarHBondContact O-N 3.48Å; M167-Q170 PolarHBondContact O-N 2.87Å; M167-Q170 VanDerWaalsContact O-N 3.12Å; M167-Y171 HydrophobicContact CB-CD2 4.02Å; M167-Y171 HydrophobicContact CB-CE2 4.19Å; M167-Y171 HydrophobicContact CG-CE2 4.41Å; M167-Y171 VanDerWaalsContact O-CD2 3.31Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 3.03Å; M167-Y171 HydrophobicContact SD-CE2 4.27Å; M167-C231 HydrophobicContact CE-CB 3.53Å; M167-C231 VanDerWaalsContact CE-SG 3.52Å; M167-C231 HydrophobicContact CG-CB 4.15Å; M167-C231 HydrophobicContact SD-CB 3.34Å; M167-C231 WeakPolarHBondContact SD-CB 3.45Å; M167-F233 HydrophobicContact CE-CE1 3.99Å; M167-F233 HydrophobicContact CE-CE2 4.44Å; M167-F233 HydrophobicContact CE-CZ 3.61Å; M167-F233 HydrophobicContact SD-CE2 4.46Å; M167-F233 HydrophobicContact SD-CZ 4.03Å
168I83.9Confident85.1Confident12 Ų1252.2 Ų52.26%0.06227%0.268CS..Hα-helixtrans-50.1-43.2-179.2-173.955.3000113.3W132 F159 L161 G166 S172W132-I168 HydrophobicContact CD2-CD1 4.35Å; W132-I168 HydrophobicContact CE3-CD1 3.27Å; W132-I168 HydrophobicContact CH2-CD1 4.47Å; W132-I168 HydrophobicContact CZ3-CD1 3.35Å; F159-I168 VanDerWaalsContact O-CB 3.27Å; F159-I168 WeakPolarHBondContact O-CB 3.34Å; F159-I168 WeakPolarHBondContact O-CD1 3.46Å; F159-I168 WeakPolarHBondContact O-CG1 2.79Å; L161-I168 HydrophobicContact CD2-CG2 3.96Å; G166-I168 PolarHBondContact O-N 3.12Å; I168-S172 WeakPolarHBondContact O-CB 3.17Å; I168-S172 PolarHBondContact O-N 2.99Å
169F83.2Confident85.5Confident101 Ų10151 Ų5144%0.44326%0.264SS..Hα-helixtrans-64.4-49-178.6-69.8-69.2000111L161 G166 M167 S172 Y173L161-F169 HydrophobicContact CD2-CE1 3.89Å; L161-F169 HydrophobicContact CD2-CE2 3.96Å; L161-F169 HydrophobicContact CD2-CZ 3.43Å; L161-F169 VanDerWaalsContact CD2-CZ 3.43Å; G166-F169 PolarHBondContact O-N 3.17Å; M167-F169 VanDerWaalsContact C-N 3.25Å; M167-F169 PolarHBondContact O-N 3.48Å; F169-S172 PolarHBondContact O-N 2.74Å; F169-Y173 HydrophobicContact CB-CD2 4.3Å; F169-Y173 HydrophobicContact CB-CE2 4.44Å; F169-Y173 HydrophobicContact CD1-CE2 4.01Å; F169-Y173 WeakPolarHBondContact O-CB 3.45Å; F169-Y173 WeakPolarHBondContact O-CD2 3.37Å; F169-Y173 PolarHBondContact O-N 3.37Å
170Q85.7Confident85.9Confident87 Ų8753.3 Ų53.341%0.40728%0.284SS..Hα-helixtrans-68.2-43.9-174.6-65.8-73.2-14.800111.3M167 S174 V228M167-Q170 PolarHBondContact O-N 2.87Å; M167-Q170 VanDerWaalsContact O-N 3.12Å; Q170-S174 WeakPolarHBondContact O-CB 3.01Å; Q170-S174 PolarHBondContact O-N 3.18Å; Q170-S174 PolarHBondContact O-OG 2.72Å; Q170-V228 HydrophobicContact CB-CG2 3.58Å; Q170-V228 HydrophobicContact CG-CB 4.5Å; Q170-V228 HydrophobicContact CG-CG1 4.23Å; Q170-V228 HydrophobicContact CG-CG2 3.4Å
171Y87.5Confident86.4Confident15 Ų1554.4 Ų54.46%0.05929%0.291CS..Hα-helixtrans-68-41.7176.6-80.5-89000112.6V103 F159 M167 S174 G175 I225 T242V103-Y171 HydrophobicContact CB-CE1 4.33Å; V103-Y171 HydrophobicContact CG1-CD1 3.44Å; V103-Y171 VanDerWaalsContact CG1-CD1 3.44Å; V103-Y171 HydrophobicContact CG1-CE1 3.61Å; V103-Y171 HydrophobicContact CG2-CE1 4.04Å; F159-Y171 AromaticContact CE1-CD2 3.84Å; F159-Y171 HydrophobicContact CE1-CD2 3.84Å; F159-Y171 HydrophobicContact CE1-CE2 4Å; F159-Y171 HydrophobicContact CE1-CG 4.12Å; M167-Y171 HydrophobicContact CB-CD2 4.02Å; M167-Y171 HydrophobicContact CB-CE2 4.19Å; M167-Y171 HydrophobicContact CG-CE2 4.41Å; M167-Y171 VanDerWaalsContact O-CD2 3.31Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 3.03Å; M167-Y171 HydrophobicContact SD-CE2 4.27Å; Y171-S174 PolarHBondContact O-OG 3.29Å; Y171-G175 PolarHBondContact O-N 3.28Å; Y171-I225 HydrophobicContact CD1-CD1 3.72Å; Y171-I225 HydrophobicContact CD1-CG1 4.23Å; Y171-I225 HydrophobicContact CD1-CG2 3.89Å; Y171-I225 HydrophobicContact CD2-CG2 4.17Å; Y171-I225 HydrophobicContact CE1-CB 4.46Å; Y171-I225 HydrophobicContact CE1-CD1 3.94Å; Y171-I225 HydrophobicContact CE1-CG1 4.41Å; Y171-I225 HydrophobicContact CE1-CG2 3.3Å; Y171-I225 HydrophobicContact CE2-CG2 3.62Å; Y171-I225 HydrophobicContact CG-CD1 4.45Å; Y171-I225 HydrophobicContact CG-CG2 4.32Å; Y171-I225 WeakPolarHBondContact OH-CG2 3.48Å; Y171-T242 PolarHBondContact OH-OG1 3.32Å
172S87.5Confident87Confident18 Ų1850.4 Ų50.413%0.12627%0.27CS..Hα-helixtrans-68.2-48.1178.7-177.10000111.9I168 F169 G175 R176I168-S172 WeakPolarHBondContact O-CB 3.17Å; I168-S172 PolarHBondContact O-N 2.99Å; F169-S172 PolarHBondContact O-N 2.74Å; S172-G175 PolarHBondContact O-N 3.42Å; S172-R176 WeakPolarHBondContact O-CB 3.34Å; S172-R176 WeakPolarHBondContact O-CG 3.44Å; S172-R176 PolarHBondContact O-N 3.36Å
173Y89Confident87.8Confident135 Ų13551 Ų5153%0.52926%0.258SS..Hα-helixtrans-64.6-50178.9-79.7-65.3000111.9F169 G175 R176 F177F169-Y173 HydrophobicContact CB-CD2 4.3Å; F169-Y173 HydrophobicContact CB-CE2 4.44Å; F169-Y173 HydrophobicContact CD1-CE2 4.01Å; F169-Y173 WeakPolarHBondContact O-CB 3.45Å; F169-Y173 WeakPolarHBondContact O-CD2 3.37Å; F169-Y173 PolarHBondContact O-N 3.37Å; Y173-G175 VanDerWaalsContact C-N 3.29Å; Y173-G175 PolarHBondContact O-N 2.98Å; Y173-R176 PolarHBondContact O-N 3.27Å; Y173-F177 VanDerWaalsContact O-CD2 3.25Å; Y173-F177 WeakPolarHBondContact O-CD2 3.44Å; Y173-F177 PolarHBondContact O-N 3.44Å
174S90.6Very high88.6Confident5 Ų553 Ų534%0.03527%0.27CS..Hα-helixtrans-60.7-39.5178.760.60000112.1Q170 Y171 A178 S221 I225Q170-S174 WeakPolarHBondContact O-CB 3.01Å; Q170-S174 PolarHBondContact O-N 3.18Å; Q170-S174 PolarHBondContact O-OG 2.72Å; Y171-S174 PolarHBondContact O-OG 3.29Å; S174-A178 WeakPolarHBondContact O-CB 3.31Å; S174-A178 PolarHBondContact O-N 3.28Å; S174-S221 WeakPolarHBondContact CB-O 3.4Å; S174-S221 PolarHBondContact O-OG 2.78Å; S174-I225 WeakPolarHBondContact OG-CD1 3.3Å; S174-I225 WeakPolarHBondContact OG-CG1 3.18Å
175G90.6Very high89.4Confident0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-63.7-44.4175.100000112.9Y171 S172 Y173 A178 S179Y171-G175 PolarHBondContact O-N 3.28Å; S172-G175 PolarHBondContact O-N 3.42Å; Y173-G175 VanDerWaalsContact C-N 3.29Å; Y173-G175 PolarHBondContact O-N 2.98Å; G175-A178 PolarHBondContact O-N 3.34Å; G175-S179 WeakPolarHBondContact O-CB 3.38Å; G175-S179 PolarHBondContact O-N 2.75Å
176R91.2Very high90.3Very high144 Ų14446.2 Ų46.254%0.54322%0.222SC..Hα-helixtrans-65.1-43.6177.1-71.2174.797173.69.1112.2S172 Y173 S179 A180S172-R176 WeakPolarHBondContact O-CB 3.34Å; S172-R176 WeakPolarHBondContact O-CG 3.44Å; S172-R176 PolarHBondContact O-N 3.36Å; Y173-R176 PolarHBondContact O-N 3.27Å; R176-S179 PolarHBondContact O-N 2.96Å; R176-A180 WeakPolarHBondContact O-CB 3.38Å; R176-A180 PolarHBondContact O-N 3.46Å
177F92.5Very high91.3Very high134 Ų13448.4 Ų48.459%0.58823%0.232SC*.Hα-helixtrans-66.4-40.8175.3-82.7-68.3000112.3Y173 A180 T181 S221Y173-F177 VanDerWaalsContact O-CD2 3.25Å; Y173-F177 WeakPolarHBondContact O-CD2 3.44Å; Y173-F177 PolarHBondContact O-N 3.44Å; F177-A180 PolarHBondContact O-N 2.93Å; F177-T181 WeakPolarHBondContact O-CB 3.5Å; F177-T181 WeakPolarHBondContact O-CG2 3.5Å; F177-T181 PolarHBondContact O-N 3.31Å; F177-T181 PolarHBondContact O-OG1 3.35Å; F177-S221 VanDerWaalsContact CB-OG 3.28Å; F177-S221 WeakPolarHBondContact CB-OG 3.43Å
178A93.9Very high92Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-62.5-42.8174.600000111.5L105 S174 G175 T181 L182L105-A178 HydrophobicContact CD2-CB 3.77Å; S174-A178 WeakPolarHBondContact O-CB 3.31Å; S174-A178 PolarHBondContact O-N 3.28Å; G175-A178 PolarHBondContact O-N 3.34Å; A178-T181 WeakPolarHBondContact CA-OG1 3.16Å; A178-T181 PolarHBondContact O-N 2.9Å; A178-T181 PolarHBondContact O-OG1 3.36Å; A178-L182 WeakPolarHBondContact O-CB 3.44Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.41Å; A178-L182 PolarHBondContact O-N 3.07Å
179S94Very high92.6Very high8 Ų849.7 Ų49.76%0.05624%0.238CC..Hα-helixtrans-63.2-45.9174.9178.40000112.5N71 Y106 G175 R176 T181 L182 W183N71-S179 WeakPolarHBondContact OD1-CA 3.3Å; N71-S179 WeakPolarHBondContact OD1-CB 3.19Å; N71-S179 PolarHBondContact OD1-OG 3Å; Y106-S179 VanDerWaalsContact CZ-OG 3.31Å; Y106-S179 PolarHBondContact OH-OG 3.37Å; G175-S179 WeakPolarHBondContact O-CB 3.38Å; G175-S179 PolarHBondContact O-N 2.75Å; R176-S179 PolarHBondContact O-N 2.96Å; S179-T181 VanDerWaalsContact C-N 3.33Å; S179-T181 PolarHBondContact O-N 3.34Å; S179-L182 PolarHBondContact O-N 2.87Å; S179-W183 VanDerWaalsContact O-CD1 3.24Å; S179-W183 PolarHBondContact O-N 3.06Å
180A95.1Very high93.1Very high53 Ų5348.1 Ų48.144%0.43823%0.233SC..Hα-helixtrans-61.7-40.3178.900000112.5R176 F177 W183 T184R176-A180 WeakPolarHBondContact O-CB 3.38Å; R176-A180 PolarHBondContact O-N 3.46Å; F177-A180 PolarHBondContact O-N 2.93Å; A180-W183 PolarHBondContact O-N 3.15Å; A180-T184 PolarHBondContact O-N 2.96Å; A180-T184 PolarHBondContact O-OG1 3.04Å
181T95.5Very high93.5Very high27 Ų2748.1 Ų48.117%0.16624%0.235CC..Hα-helixtrans-70-35.7176.4480000112.1F177 A178 S179 T184 A185 F217 S218F177-T181 WeakPolarHBondContact O-CB 3.5Å; F177-T181 WeakPolarHBondContact O-CG2 3.5Å; F177-T181 PolarHBondContact O-N 3.31Å; F177-T181 PolarHBondContact O-OG1 3.35Å; A178-T181 WeakPolarHBondContact CA-OG1 3.16Å; A178-T181 PolarHBondContact O-N 2.9Å; A178-T181 PolarHBondContact O-OG1 3.36Å; S179-T181 VanDerWaalsContact C-N 3.33Å; S179-T181 PolarHBondContact O-N 3.34Å; T181-T184 PolarHBondContact O-N 3.4Å; T181-A185 WeakPolarHBondContact O-CB 3.41Å; T181-A185 PolarHBondContact O-N 2.94Å; T181-F217 HydrophobicContact CG2-CB 4.28Å; T181-S218 VanDerWaalsContact OG1-CA 3.27Å; T181-S218 WeakPolarHBondContact OG1-CA 3.5Å; T181-S218 WeakPolarHBondContact OG1-CB 3.47Å
182L95.7Very high93.7Very high1 Ų147.6 Ų47.61%0.00523%0.234CC..Hα-helixtrans-66.3-40.2172.6-72.4168.2000112.9I67 L70 N71 W76 L105 A178 S179 T184 A185 F186I67-L182 WeakPolarHBondContact CG2-O 3.47Å; L70-L182 HydrophobicContact CB-CD1 4.47Å; N71-L182 HydrophobicContact CB-CB 4.49Å; N71-L182 HydrophobicContact CB-CD1 4.35Å; W76-L182 HydrophobicContact CH2-CD1 3.98Å; W76-L182 HydrophobicContact CZ2-CD1 3.61Å; L105-L182 HydrophobicContact CD1-CD1 3.6Å; A178-L182 WeakPolarHBondContact O-CB 3.44Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.41Å; A178-L182 PolarHBondContact O-N 3.07Å; S179-L182 PolarHBondContact O-N 2.87Å; L182-T184 VanDerWaalsContact C-N 3.32Å; L182-A185 WeakPolarHBondContact O-CB 3.38Å; L182-A185 PolarHBondContact O-N 3.27Å; L182-F186 PolarHBondContact O-N 3.49Å
183W96.7Very high93.9Very high103 Ų10348.4 Ų48.439%0.3924%0.237SC..Hα-helixtrans-63.2-40.3172.5-80.9115.8000112N71 F72 Y106 S179 A180 A185 F186 C187N71-W183 PolarHBondContact ND2-NE1 3.41Å; N71-W183 VanDerWaalsContact ND2-NE1 3.18Å; F72-W183 HydrophobicContact CE2-CH2 4.21Å; F72-W183 AromaticContact CE2-CZ2 3.97Å; F72-W183 HydrophobicContact CE2-CZ2 3.97Å; F72-W183 HydrophobicContact CZ-CH2 4.38Å; F72-W183 AromaticContact CZ-CZ2 3.87Å; F72-W183 HydrophobicContact CZ-CZ2 3.87Å; Y106-W183 PolarHBondContact OH-NE1 3Å; S179-W183 VanDerWaalsContact O-CD1 3.24Å; S179-W183 PolarHBondContact O-N 3.06Å; A180-W183 PolarHBondContact O-N 3.15Å; W183-A185 VanDerWaalsContact C-N 3.34Å; W183-F186 HydrophobicContact CE3-CB 4.5Å; W183-F186 HydrophobicContact CE3-CD1 4.12Å; W183-F186 HydrophobicContact CZ3-CD1 4.02Å; W183-F186 HydrophobicContact CZ3-CE1 4.41Å; W183-F186 WeakPolarHBondContact O-CB 3.37Å; W183-F186 PolarHBondContact O-N 2.98Å; W183-C187 PolarHBondContact O-N 3.2Å; W183-C187 PolarHBondContact O-SG 3.27Å; W183-C187 VanDerWaalsContact O-SG 3.4Å
184T96.5Very high94Very high57 Ų5746.4 Ų46.435%0.3523%0.234SC..Hα-helixtrans-63.4-42.4174.2-52.50000111A180 T181 L182 F186 C187 C188 F214A180-T184 PolarHBondContact O-N 2.96Å; A180-T184 PolarHBondContact O-OG1 3.04Å; T181-T184 PolarHBondContact O-N 3.4Å; L182-T184 VanDerWaalsContact C-N 3.32Å; T184-F186 VanDerWaalsContact C-N 3.32Å; T184-F186 PolarHBondContact O-N 2.99Å; T184-C187 PolarHBondContact O-N 2.64Å; T184-C188 PolarHBondContact O-N 3.19Å; T184-C188 PolarHBondContact O-SG 3.02Å; T184-C188 VanDerWaalsContact O-SG 3.38Å; T184-F214 HydrophobicContact CG2-CD1 4.05Å; T184-F214 HydrophobicContact CG2-CD2 3.93Å; T184-F214 HydrophobicContact CG2-CE1 3.79Å; T184-F214 HydrophobicContact CG2-CE2 3.67Å; T184-F214 HydrophobicContact CG2-CG 4.13Å; T184-F214 HydrophobicContact CG2-CZ 3.6Å
185A96.6Very high93.9Very high0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-60-41.7173.900000111.7T181 L182 W183 C187 C188 W189 T211 F214 I215T181-A185 WeakPolarHBondContact O-CB 3.41Å; T181-A185 PolarHBondContact O-N 2.94Å; L182-A185 WeakPolarHBondContact O-CB 3.38Å; L182-A185 PolarHBondContact O-N 3.27Å; W183-A185 VanDerWaalsContact C-N 3.34Å; A185-C187 PolarHBondContact O-N 3.25Å; A185-C188 PolarHBondContact O-N 3.02Å; A185-W189 WeakPolarHBondContact O-CB 3.29Å; A185-W189 PolarHBondContact O-N 2.6Å; A185-T211 HydrophobicContact CB-CG2 4.23Å; A185-T211 WeakPolarHBondContact O-CG2 3.41Å; A185-F214 HydrophobicContact CB-CB 3.74Å; A185-I215 HydrophobicContact CB-CG1 4.03Å
186F95.6Very high93.6Very high39 Ų3949.4 Ų49.417%0.17125%0.249CC..Hα-helixtrans-61.3-43.8176-176.5-110.7000112I67 V68 L182 W183 T184 W189 I190I67-F186 HydrophobicContact CG2-CB 3.83Å; I67-F186 HydrophobicContact CG2-CD2 4.38Å; V68-F186 HydrophobicContact CG2-CD2 3.55Å; V68-F186 HydrophobicContact CG2-CE2 3.4Å; V68-F186 HydrophobicContact CG2-CG 4.26Å; V68-F186 HydrophobicContact CG2-CZ 4Å; L182-F186 PolarHBondContact O-N 3.49Å; W183-F186 HydrophobicContact CE3-CB 4.5Å; W183-F186 HydrophobicContact CE3-CD1 4.12Å; W183-F186 HydrophobicContact CZ3-CD1 4.02Å; W183-F186 HydrophobicContact CZ3-CE1 4.41Å; W183-F186 WeakPolarHBondContact O-CB 3.37Å; W183-F186 PolarHBondContact O-N 2.98Å; T184-F186 VanDerWaalsContact C-N 3.32Å; T184-F186 PolarHBondContact O-N 2.99Å; F186-W189 AromaticContact CD2-CE3 3.78Å; F186-W189 HydrophobicContact CD2-CE3 3.78Å; F186-W189 HydrophobicContact CD2-CZ3 4.16Å; F186-W189 AromaticContact CE2-CE3 3.59Å; F186-W189 HydrophobicContact CE2-CE3 3.59Å; F186-W189 AromaticContact CE2-CZ3 3.47Å; F186-W189 HydrophobicContact CE2-CZ3 3.47Å; F186-W189 VanDerWaalsContact CE2-CZ3 3.47Å; F186-W189 HydrophobicContact CZ-CE3 4.36Å; F186-W189 HydrophobicContact CZ-CZ3 4.03Å; F186-W189 WeakPolarHBondContact O-CB 3.39Å; F186-W189 PolarHBondContact O-N 3.23Å; F186-I190 HydrophobicContact CD1-CD1 4.02Å; F186-I190 HydrophobicContact CE1-CD1 3.54Å; F186-I190 HydrophobicContact CE1-CG1 4.36Å; F186-I190 HydrophobicContact CZ-CD1 3.88Å; F186-I190 HydrophobicContact CZ-CG1 4.36Å; F186-I190 WeakPolarHBondContact O-CG1 3.32Å; F186-I190 PolarHBondContact O-N 3.49Å
187C96.4Very high93.2Very high69 Ų6949 Ų4947%0.46625%0.251SS..Hα-helixtrans-61.6-44.3173.9-67.60000112.1W183 T184 A185 W189 I190 L191W183-C187 PolarHBondContact O-N 3.2Å; W183-C187 PolarHBondContact O-SG 3.27Å; W183-C187 VanDerWaalsContact O-SG 3.4Å; T184-C187 PolarHBondContact O-N 2.64Å; A185-C187 PolarHBondContact O-N 3.25Å; C187-W189 VanDerWaalsContact C-N 3.29Å; C187-W189 PolarHBondContact O-N 2.55Å; C187-I190 PolarHBondContact O-N 2.8Å; C187-L191 WeakPolarHBondContact O-CG 3.47Å; C187-L191 PolarHBondContact O-N 3.13Å
188C95.1Very high92.6Very high13 Ų1346.8 Ų46.89%0.08825%0.245CC..Hα-helixtrans-62.6-35.8175.3-68.50000112.4T184 A185 L191 S192 M207 T211T184-C188 PolarHBondContact O-N 3.19Å; T184-C188 PolarHBondContact O-SG 3.02Å; T184-C188 VanDerWaalsContact O-SG 3.38Å; A185-C188 PolarHBondContact O-N 3.02Å; C188-L191 PolarHBondContact O-N 2.9Å; C188-S192 VanDerWaalsContact O-CB 3.3Å; C188-S192 WeakPolarHBondContact O-CB 3.42Å; C188-S192 PolarHBondContact O-N 3.22Å; C188-M207 HydrophobicContact CB-CE 4.03Å; C188-T211 VanDerWaalsContact C-OG1 3.31Å; C188-T211 VanDerWaalsContact CB-OG1 3.22Å; C188-T211 WeakPolarHBondContact CB-OG1 3.25Å
189W95.8Very high91.6Very high34 Ų3451.6 Ų51.613%0.12928%0.276CS..Hα-helixtrans-65.4-44.1174.2168.782.5000111.6F31 S60 I67 A185 F186 C187 L191 S192 N193 T211F31-W189 HydrophobicContact CE1-CH2 4.38Å; S60-W189 WeakPolarHBondContact O-CZ2 3.3Å; S60-W189 PolarHBondContact O-NE1 3.09Å; S60-W189 PolarHBondContact OG-NE1 2.98Å; S60-W189 VanDerWaalsContact OG-NE1 3.13Å; I67-W189 HydrophobicContact CD1-CB 4.14Å; I67-W189 HydrophobicContact CD1-CG 4.39Å; A185-W189 WeakPolarHBondContact O-CB 3.29Å; A185-W189 PolarHBondContact O-N 2.6Å; F186-W189 AromaticContact CD2-CE3 3.78Å; F186-W189 HydrophobicContact CD2-CE3 3.78Å; F186-W189 HydrophobicContact CD2-CZ3 4.16Å; F186-W189 AromaticContact CE2-CE3 3.59Å; F186-W189 HydrophobicContact CE2-CE3 3.59Å; F186-W189 AromaticContact CE2-CZ3 3.47Å; F186-W189 HydrophobicContact CE2-CZ3 3.47Å; F186-W189 VanDerWaalsContact CE2-CZ3 3.47Å; F186-W189 HydrophobicContact CZ-CE3 4.36Å; F186-W189 HydrophobicContact CZ-CZ3 4.03Å; F186-W189 WeakPolarHBondContact O-CB 3.39Å; F186-W189 PolarHBondContact O-N 3.23Å; C187-W189 VanDerWaalsContact C-N 3.29Å; C187-W189 PolarHBondContact O-N 2.55Å; W189-L191 PolarHBondContact O-N 2.96Å; W189-S192 PolarHBondContact O-N 2.91Å; W189-N193 PolarHBondContact NE1-ND2 3.24Å; W189-N193 PolarHBondContact O-N 3.45Å; W189-N193 PolarHBondContact O-ND2 2.97Å; W189-T211 HydrophobicContact CB-CG2 4.05Å; W189-T211 PolarHBondContact N-OG1 3.13Å
190I94.3Very high90.7Very high68 Ų6855.8 Ų55.835%0.34930%0.298SS..Hα-helixtrans-58.9-49.4174.4-68.1174.1000110.2F186 C187 S192 N193 I194F186-I190 HydrophobicContact CD1-CD1 4.02Å; F186-I190 HydrophobicContact CE1-CD1 3.54Å; F186-I190 HydrophobicContact CE1-CG1 4.36Å; F186-I190 HydrophobicContact CZ-CD1 3.88Å; F186-I190 HydrophobicContact CZ-CG1 4.36Å; F186-I190 WeakPolarHBondContact O-CG1 3.32Å; F186-I190 PolarHBondContact O-N 3.49Å; C187-I190 PolarHBondContact O-N 2.8Å; I190-S192 VanDerWaalsContact C-N 3.32Å; I190-S192 PolarHBondContact O-N 3.46Å; I190-N193 WeakPolarHBondContact O-CB 3.03Å; I190-N193 PolarHBondContact O-N 2.61Å; I190-N193 VanDerWaalsContact O-N 3.16Å; I190-I194 HydrophobicContact CG2-CD1 3.88Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 3.43Å
191L93.6Very high90Very high87 Ų8753.8 Ų53.846%0.45528%0.28SS..Hα-helixtrans-60.3-42178.9-71.1171.9000111.9C187 C188 W189 N193 I194 L195 M207C187-L191 WeakPolarHBondContact O-CG 3.47Å; C187-L191 PolarHBondContact O-N 3.13Å; C188-L191 PolarHBondContact O-N 2.9Å; W189-L191 PolarHBondContact O-N 2.96Å; L191-N193 VanDerWaalsContact C-N 3.35Å; L191-N193 PolarHBondContact O-N 3.05Å; L191-I194 PolarHBondContact O-N 3.4Å; L191-L195 WeakPolarHBondContact O-CB 3.16Å; L191-L195 WeakPolarHBondContact O-CD1 3.32Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.16Å; L191-L195 PolarHBondContact O-N 2.97Å; L191-M207 HydrophobicContact CB-CE 3.82Å; L191-M207 HydrophobicContact CD1-CE 3.63Å; L191-M207 HydrophobicContact CG-CE 4.39Å
192S92.3Very high89.5Confident4 Ų453.6 Ų53.63%0.02828%0.278CS..Hα-helixtrans-59.3-45.1174.8176.90000111.7C188 W189 I190 I194 L195 F196 A204 T208C188-S192 VanDerWaalsContact O-CB 3.3Å; C188-S192 WeakPolarHBondContact O-CB 3.42Å; C188-S192 PolarHBondContact O-N 3.22Å; W189-S192 PolarHBondContact O-N 2.91Å; I190-S192 VanDerWaalsContact C-N 3.32Å; I190-S192 PolarHBondContact O-N 3.46Å; S192-I194 PolarHBondContact O-N 3.01Å; S192-L195 PolarHBondContact O-N 2.89Å; S192-F196 WeakPolarHBondContact O-CD2 3.43Å; S192-F196 PolarHBondContact O-N 3.4Å; S192-F196 WeakPolarHBondContact OG-CE2 3.35Å; S192-A204 PolarHBondContact OG-O 3.15Å; S192-T208 PolarHBondContact OG-OG1 3.38Å
193N91.4Very high89.2Confident36 Ų3660.5 Ų60.519%0.19331%0.305CS..Hα-helixtrans-61.5-43.3177-82.5-79000112.9S60 W189 I190 L191 F196 F197S60-N193 WeakPolarHBondContact CB-OD1 3.31Å; S60-N193 PolarHBondContact OG-ND2 3.24Å; S60-N193 PolarHBondContact OG-OD1 2.86Å; W189-N193 PolarHBondContact NE1-ND2 3.24Å; W189-N193 PolarHBondContact O-N 3.45Å; W189-N193 PolarHBondContact O-ND2 2.97Å; I190-N193 WeakPolarHBondContact O-CB 3.03Å; I190-N193 PolarHBondContact O-N 2.61Å; I190-N193 VanDerWaalsContact O-N 3.16Å; L191-N193 VanDerWaalsContact C-N 3.35Å; L191-N193 PolarHBondContact O-N 3.05Å; N193-F196 PolarHBondContact O-N 3.43Å; N193-F197 WeakPolarHBondContact O-CD2 3.47Å
194I90.5Very high88.8Confident92 Ų9255.6 Ų55.647%0.47229%0.287SS..Hα-helixtrans-61.4-46.7176.5-65.3166.9000110I190 L191 S192 F196 F197 L198I190-I194 HydrophobicContact CG2-CD1 3.88Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 3.43Å; L191-I194 PolarHBondContact O-N 3.4Å; S192-I194 PolarHBondContact O-N 3.01Å; I194-F196 VanDerWaalsContact C-N 3.26Å; I194-F196 PolarHBondContact O-N 3.48Å; I194-F197 WeakPolarHBondContact O-CB 3.28Å; I194-F197 PolarHBondContact O-N 3.4Å; I194-L198 PolarHBondContact O-N 2.93Å
195L88.7Confident88.5Confident39 Ų3952.9 Ų52.920%0.20427%0.27CS..Hα-helixtrans-64.6-29179-68.7165.2000112.6L191 S192 F197 L198 A204 M207L191-L195 WeakPolarHBondContact O-CB 3.16Å; L191-L195 WeakPolarHBondContact O-CD1 3.32Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.16Å; L191-L195 PolarHBondContact O-N 2.97Å; S192-L195 PolarHBondContact O-N 2.89Å; L195-F197 PolarHBondContact O-N 2.92Å; L195-L198 HydrophobicContact CD2-CD1 4.3Å; L195-L198 PolarHBondContact O-N 3.4Å; L195-L198 VanDerWaalsContact O-N 3.12Å; L195-A204 HydrophobicContact CB-CB 3.65Å; L195-M207 HydrophobicContact CD1-CB 4.34Å; L195-M207 HydrophobicContact CD1-CG 3.65Å
196F84.7Confident88.4Confident30 Ų3058.2 Ų58.213%0.13229%0.291CS..THydrogen-bonded Turntrans-70.6-11.1172.9-82.1-56.7000114.8R56 S192 N193 I194 I201 A204 V265R56-F196 PolarHBondContact NH1-O 3.26Å; S192-F196 WeakPolarHBondContact O-CD2 3.43Å; S192-F196 PolarHBondContact O-N 3.4Å; S192-F196 WeakPolarHBondContact OG-CE2 3.35Å; N193-F196 PolarHBondContact O-N 3.43Å; I194-F196 VanDerWaalsContact C-N 3.26Å; I194-F196 PolarHBondContact O-N 3.48Å; F196-I201 HydrophobicContact CE1-CG2 4.44Å; F196-A204 HydrophobicContact CD1-CB 3.63Å; F196-A204 HydrophobicContact CD2-CB 4Å; F196-A204 HydrophobicContact CE1-CB 3.67Å; F196-A204 HydrophobicContact CE2-CB 4.04Å; F196-A204 HydrophobicContact CG-CB 3.78Å; F196-A204 HydrophobicContact CZ-CB 3.88Å; F196-V265 HydrophobicContact CE1-CG1 4.43Å; F196-V265 HydrophobicContact CE1-CG2 4.19Å; F196-V265 HydrophobicContact CZ-CG2 4.25Å
197F82.5Confident88.3Confident135 Ų13558.6 Ų58.659%0.59229%0.294SS*.THydrogen-bonded Turntrans-92.4-17.9168.8-70-73000112.7N193 I194 L195N193-F197 WeakPolarHBondContact O-CD2 3.47Å; I194-F197 WeakPolarHBondContact O-CB 3.28Å; I194-F197 PolarHBondContact O-N 3.4Å; L195-F197 PolarHBondContact O-N 2.92Å
198L80.8Confident88.2Confident87 Ų8755.8 Ų55.846%0.45528%0.275SS..SBendtrans-88.9159.1176.9-65.7176.4000110.9I194 L195 D200I194-L198 PolarHBondContact O-N 2.93Å; L195-L198 HydrophobicContact CD2-CD1 4.3Å; L195-L198 PolarHBondContact O-N 3.4Å; L195-L198 VanDerWaalsContact O-N 3.12Å; L198-D200 PolarHBondContact O-N 3.41Å
199P71.6Confident88.2Confident102 Ų10258.6 Ų58.666%0.66229%0.287SS*.SBendtrans-65.1-16.6178.523.9-33.2000113.8I201P199-I201 PolarHBondContact O-N 2.85Å; P199-I201 VanDerWaalsContact O-N 3.15Å
200D75.1Confident88.2Confident95 Ų9558.4 Ų58.451%0.50829%0.293SS..  trans-89.869.9-175.3-63.4-42.6000113.8L198 V202 Y203L198-D200 PolarHBondContact O-N 3.41Å; D200-V202 VanDerWaalsContact C-N 3.26Å; D200-V202 PolarHBondContact O-N 2.97Å; D200-Y203 HydrophobicContact CB-CD2 4Å; D200-Y203 PolarHBondContact O-N 3.25Å
201I80.9Confident88.2Confident12 Ų1255.4 Ų55.46%0.06228%0.278CS..Hα-helixtrans-64.8-24.6-172.6-58.9151.1000113.8F196 P199 Y203 A204 G205 V265 V276 F280F196-I201 HydrophobicContact CE1-CG2 4.44Å; P199-I201 PolarHBondContact O-N 2.85Å; P199-I201 VanDerWaalsContact O-N 3.15Å; I201-Y203 PolarHBondContact O-N 2.91Å; I201-A204 WeakPolarHBondContact O-CB 3.25Å; I201-A204 PolarHBondContact O-N 2.87Å; I201-G205 PolarHBondContact O-N 3.31Å; I201-V265 HydrophobicContact CG2-CG1 3.68Å; I201-V276 HydrophobicContact CD1-CG1 3.72Å; I201-F280 HydrophobicContact CD1-CB 3.61Å; I201-F280 HydrophobicContact CD1-CD1 3.8Å; I201-F280 HydrophobicContact CD1-CD2 3.35Å; I201-F280 HydrophobicContact CD1-CE1 4.24Å; I201-F280 HydrophobicContact CD1-CE2 3.84Å; I201-F280 HydrophobicContact CD1-CG 3.31Å; I201-F280 HydrophobicContact CD1-CZ 4.26Å; I201-F280 HydrophobicContact CG1-CD1 4.06Å; I201-F280 HydrophobicContact CG1-CD2 4.34Å; I201-F280 HydrophobicContact CG1-CE1 4.26Å; I201-F280 HydrophobicContact CG1-CG 4.1Å; I201-F280 HydrophobicContact CG1-CZ 4.48Å
202V84.7Confident88.4Confident22 Ų2251.3 Ų51.313%0.13326%0.257CS..Hα-helixtrans-63.4-44.3-177.3-173.60000111.3D200 A204 G205 Y206 Y269D200-V202 VanDerWaalsContact C-N 3.26Å; D200-V202 PolarHBondContact O-N 2.97Å; V202-A204 VanDerWaalsContact C-N 3.3Å; V202-A204 PolarHBondContact O-N 3Å; V202-G205 PolarHBondContact O-N 3.46Å; V202-Y206 HydrophobicContact CG1-CD2 4.05Å; V202-Y206 HydrophobicContact CG1-CE2 3.47Å; V202-Y206 VanDerWaalsContact CG1-CE2 3.47Å; V202-Y206 WeakPolarHBondContact O-CD2 3.48Å; V202-Y206 PolarHBondContact O-N 2.97Å; V202-Y269 HydrophobicContact CG1-CD1 4.32Å; V202-Y269 HydrophobicContact CG1-CE1 4.38Å; V202-Y269 HydrophobicContact CG2-CD1 3.64Å; V202-Y269 HydrophobicContact CG2-CD2 3.24Å; V202-Y269 HydrophobicContact CG2-CE1 3.62Å; V202-Y269 HydrophobicContact CG2-CE2 3.21Å; V202-Y269 HydrophobicContact CG2-CG 3.45Å; V202-Y269 VanDerWaalsContact CG2-CG 3.45Å
203Y89.1Confident88.6Confident147 Ų14752.9 Ų52.958%0.57627%0.27SS*.Hα-helixtrans-67.3-33.9177.9-63.4-77.5000111.3D200 I201 G205 Y206 M207D200-Y203 HydrophobicContact CB-CD2 4Å; D200-Y203 PolarHBondContact O-N 3.25Å; I201-Y203 PolarHBondContact O-N 2.91Å; Y203-G205 VanDerWaalsContact C-N 3.32Å; Y203-G205 PolarHBondContact O-N 3.44Å; Y203-Y206 PolarHBondContact O-N 3.5Å; Y203-M207 WeakPolarHBondContact O-CB 3.19Å; Y203-M207 VanDerWaalsContact O-CG 3.28Å; Y203-M207 WeakPolarHBondContact O-CG 3.4Å; Y203-M207 PolarHBondContact O-N 3.34Å
204A89.4Confident88.9Confident0 Ų054.1 Ų54.10%027%0.274CS..Hα-helixtrans-61.1-41.917200000111.6S192 L195 F196 I201 V202 M207 T208S192-A204 PolarHBondContact OG-O 3.15Å; L195-A204 HydrophobicContact CB-CB 3.65Å; F196-A204 HydrophobicContact CD1-CB 3.63Å; F196-A204 HydrophobicContact CD2-CB 4Å; F196-A204 HydrophobicContact CE1-CB 3.67Å; F196-A204 HydrophobicContact CE2-CB 4.04Å; F196-A204 HydrophobicContact CG-CB 3.78Å; F196-A204 HydrophobicContact CZ-CB 3.88Å; I201-A204 WeakPolarHBondContact O-CB 3.25Å; I201-A204 PolarHBondContact O-N 2.87Å; V202-A204 VanDerWaalsContact C-N 3.3Å; V202-A204 PolarHBondContact O-N 3Å; A204-M207 PolarHBondContact O-N 2.93Å; A204-T208 WeakPolarHBondContact O-CB 3.19Å; A204-T208 PolarHBondContact O-N 3.11Å; A204-T208 PolarHBondContact O-OG1 3.32Å
205G90.4Very high89.1Confident0 Ų049.8 Ų49.80%025%0.252CS..Hα-helixtrans-58.4-49.7172.900000112.5I201 V202 Y203 M207 T208 M209I201-G205 PolarHBondContact O-N 3.31Å; V202-G205 PolarHBondContact O-N 3.46Å; Y203-G205 VanDerWaalsContact C-N 3.32Å; Y203-G205 PolarHBondContact O-N 3.44Å; G205-M207 PolarHBondContact O-N 3.2Å; G205-T208 WeakPolarHBondContact O-CB 3.48Å; G205-T208 PolarHBondContact O-N 2.99Å; G205-M209 WeakPolarHBondContact O-CG 3.43Å; G205-M209 PolarHBondContact O-N 3.3Å
206Y92.9Very high89.5Confident112 Ų11251.2 Ų51.244%0.43926%0.256SS..Hα-helixtrans-62.3-42.2177.2-67-43.6000112.9V202 Y203 T208 M209 A210 V266V202-Y206 HydrophobicContact CG1-CD2 4.05Å; V202-Y206 HydrophobicContact CG1-CE2 3.47Å; V202-Y206 VanDerWaalsContact CG1-CE2 3.47Å; V202-Y206 WeakPolarHBondContact O-CD2 3.48Å; V202-Y206 PolarHBondContact O-N 2.97Å; Y203-Y206 PolarHBondContact O-N 3.5Å; Y206-T208 VanDerWaalsContact C-N 3.3Å; Y206-T208 PolarHBondContact O-N 2.98Å; Y206-M209 PolarHBondContact O-N 3.16Å; Y206-A210 WeakPolarHBondContact O-CB 3.37Å; Y206-A210 PolarHBondContact O-N 3.32Å; Y206-V266 HydrophobicContact CD1-CG2 4.23Å; Y206-V266 HydrophobicContact CE1-CG2 4.11Å
207M94.4Very high90Very high46 Ų4655.8 Ų55.823%0.22728%0.276CS..Hα-helixtrans-66.9-32176.9-69-55.6-6700112.5C188 L191 L195 Y203 A204 G205 A210 T211C188-M207 HydrophobicContact CB-CE 4.03Å; L191-M207 HydrophobicContact CB-CE 3.82Å; L191-M207 HydrophobicContact CD1-CE 3.63Å; L191-M207 HydrophobicContact CG-CE 4.39Å; L195-M207 HydrophobicContact CD1-CB 4.34Å; L195-M207 HydrophobicContact CD1-CG 3.65Å; Y203-M207 WeakPolarHBondContact O-CB 3.19Å; Y203-M207 VanDerWaalsContact O-CG 3.28Å; Y203-M207 WeakPolarHBondContact O-CG 3.4Å; Y203-M207 PolarHBondContact O-N 3.34Å; A204-M207 PolarHBondContact O-N 2.93Å; G205-M207 PolarHBondContact O-N 3.2Å; M207-A210 PolarHBondContact O-N 3.41Å; M207-T211 PolarHBondContact O-N 3.15Å; M207-T211 PolarHBondContact O-OG1 3.47Å
208T93.7Very high90.6Very high10 Ų1049.3 Ų49.36%0.06125%0.248CC..Hα-helixtrans-67.3-41.2172.4-53.40000111.3S192 A204 G205 Y206 T211 A212 C258 I261S192-T208 PolarHBondContact OG-OG1 3.38Å; A204-T208 WeakPolarHBondContact O-CB 3.19Å; A204-T208 PolarHBondContact O-N 3.11Å; A204-T208 PolarHBondContact O-OG1 3.32Å; G205-T208 WeakPolarHBondContact O-CB 3.48Å; G205-T208 PolarHBondContact O-N 2.99Å; Y206-T208 VanDerWaalsContact C-N 3.3Å; Y206-T208 PolarHBondContact O-N 2.98Å; T208-T211 WeakPolarHBondContact O-CB 3.2Å; T208-T211 PolarHBondContact O-N 2.94Å; T208-A212 PolarHBondContact O-N 3.46Å; T208-A212 VanDerWaalsContact O-N 3.1Å; T208-C258 HydrophobicContact CG2-CB 4.45Å; T208-I261 HydrophobicContact CG2-CG2 4.3Å
209M94.8Very high91.2Very high72 Ų7245.7 Ų45.736%0.35523%0.229SC..Hα-helixtrans-65.5-40173.4-68.1-17668.300112G205 Y206 T211 A212 A213 V266G205-M209 WeakPolarHBondContact O-CG 3.43Å; G205-M209 PolarHBondContact O-N 3.3Å; Y206-M209 PolarHBondContact O-N 3.16Å; M209-T211 VanDerWaalsContact C-N 3.33Å; M209-T211 PolarHBondContact O-N 2.99Å; M209-A212 WeakPolarHBondContact O-CB 3.1Å; M209-A212 PolarHBondContact O-N 2.87Å; M209-A213 PolarHBondContact O-N 3.4Å; M209-V266 HydrophobicContact SD-CG2 4.25Å
210A95.8Very high92.2Very high31 Ų3143.5 Ų43.526%0.25622%0.22SC..Hα-helixtrans-61.4-42.1174.500000111.5Y206 M207 A212 A213 F214Y206-A210 WeakPolarHBondContact O-CB 3.37Å; Y206-A210 PolarHBondContact O-N 3.32Å; M207-A210 PolarHBondContact O-N 3.41Å; A210-A212 VanDerWaalsContact C-N 3.31Å; A210-A212 PolarHBondContact O-N 3.34Å; A210-A213 WeakPolarHBondContact O-CB 3.28Å; A210-A213 PolarHBondContact O-N 3.2Å; A210-F214 WeakPolarHBondContact O-CD2 3.41Å; A210-F214 PolarHBondContact O-N 2.99Å
211T95.9Very high93Very high4 Ų440.1 Ų40.13%0.02520%0.203CC..Hα-helixtrans-55.8-46.9173-55.90000111.1I67 A185 C188 W189 M207 T208 M209 A213 F214 I215I67-T211 HydrophobicContact CD1-CG2 3.97Å; A185-T211 HydrophobicContact CB-CG2 4.23Å; A185-T211 WeakPolarHBondContact O-CG2 3.41Å; C188-T211 VanDerWaalsContact C-OG1 3.31Å; C188-T211 VanDerWaalsContact CB-OG1 3.22Å; C188-T211 WeakPolarHBondContact CB-OG1 3.25Å; W189-T211 HydrophobicContact CB-CG2 4.05Å; W189-T211 PolarHBondContact N-OG1 3.13Å; M207-T211 PolarHBondContact O-N 3.15Å; M207-T211 PolarHBondContact O-OG1 3.47Å; T208-T211 WeakPolarHBondContact O-CB 3.2Å; T208-T211 PolarHBondContact O-N 2.94Å; M209-T211 VanDerWaalsContact C-N 3.33Å; M209-T211 PolarHBondContact O-N 2.99Å; T211-A213 PolarHBondContact O-N 3.33Å; T211-F214 PolarHBondContact O-N 3.27Å; T211-I215 HydrophobicContact CG2-CD1 4.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.38Å; T211-I215 PolarHBondContact O-N 3.46Å; T211-I215 VanDerWaalsContact O-N 3.11Å
212A96.4Very high93.5Very high1 Ų139.6 Ų39.61%0.00820%0.201CC..Hα-helixtrans-61.5-44.4176.800000112T208 M209 A210 F214 I215 F216 C258 T259T208-A212 PolarHBondContact O-N 3.46Å; T208-A212 VanDerWaalsContact O-N 3.1Å; M209-A212 WeakPolarHBondContact O-CB 3.1Å; M209-A212 PolarHBondContact O-N 2.87Å; A210-A212 VanDerWaalsContact C-N 3.31Å; A210-A212 PolarHBondContact O-N 3.34Å; A212-F214 VanDerWaalsContact C-N 3.35Å; A212-F214 PolarHBondContact O-N 3.46Å; A212-I215 WeakPolarHBondContact O-CB 3.35Å; A212-I215 PolarHBondContact O-N 2.87Å; A212-I215 VanDerWaalsContact O-N 3.15Å; A212-F216 HydrophobicContact CB-CE2 4.26Å; A212-F216 WeakPolarHBondContact O-CD2 3.33Å; A212-F216 PolarHBondContact O-N 3.2Å; A212-C258 HydrophobicContact CB-CB 3.68Å; A212-T259 WeakPolarHBondContact CB-OG1 3.41Å
213A96.7Very high93.7Very high38 Ų3840.8 Ų40.831%0.31421%0.21SC..Hα-helixtrans-58.8-43.9178.400000112.1M209 A210 T211 I215 F216 F217M209-A213 PolarHBondContact O-N 3.4Å; A210-A213 WeakPolarHBondContact O-CB 3.28Å; A210-A213 PolarHBondContact O-N 3.2Å; T211-A213 PolarHBondContact O-N 3.33Å; A213-I215 PolarHBondContact O-N 2.86Å; A213-F216 PolarHBondContact O-N 2.84Å; A213-F217 HydrophobicContact CB-CE2 4.45Å; A213-F217 VanDerWaalsContact O-CD2 3.31Å; A213-F217 WeakPolarHBondContact O-CD2 3.4Å; A213-F217 WeakPolarHBondContact O-CG 3.02Å; A213-F217 PolarHBondContact O-N 3.42Å
214F97Very high93.6Very high61 Ų6136.6 Ų36.627%0.26820%0.199SC..Hα-helixtrans-65.7-35.5175.9-74.3-62.1000113T184 A185 A210 T211 A212 F217 S218T184-F214 HydrophobicContact CG2-CD1 4.05Å; T184-F214 HydrophobicContact CG2-CD2 3.93Å; T184-F214 HydrophobicContact CG2-CE1 3.79Å; T184-F214 HydrophobicContact CG2-CE2 3.67Å; T184-F214 HydrophobicContact CG2-CG 4.13Å; T184-F214 HydrophobicContact CG2-CZ 3.6Å; A185-F214 HydrophobicContact CB-CB 3.74Å; A210-F214 WeakPolarHBondContact O-CD2 3.41Å; A210-F214 PolarHBondContact O-N 2.99Å; T211-F214 PolarHBondContact O-N 3.27Å; A212-F214 VanDerWaalsContact C-N 3.35Å; A212-F214 PolarHBondContact O-N 3.46Å; F214-F217 HydrophobicContact CD1-CD2 4.12Å; F214-F217 PolarHBondContact O-N 3.4Å; F214-S218 PolarHBondContact O-N 3.38Å
215I96Very high93.2Very high1 Ų137.1 Ų37.11%0.00520%0.202CC..Hα-helixtrans-62.7-44.6171.6-65.2167.8000110.2I67 A185 T211 A212 A213 F217 S218 M219 A251 T254I67-I215 HydrophobicContact CD1-CD1 4.23Å; I67-I215 HydrophobicContact CG1-CD1 4.09Å; A185-I215 HydrophobicContact CB-CG1 4.03Å; T211-I215 HydrophobicContact CG2-CD1 4.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.38Å; T211-I215 PolarHBondContact O-N 3.46Å; T211-I215 VanDerWaalsContact O-N 3.11Å; A212-I215 WeakPolarHBondContact O-CB 3.35Å; A212-I215 PolarHBondContact O-N 2.87Å; A212-I215 VanDerWaalsContact O-N 3.15Å; A213-I215 PolarHBondContact O-N 2.86Å; I215-F217 PolarHBondContact O-N 3.22Å; I215-S218 WeakPolarHBondContact O-CB 3.39Å; I215-S218 PolarHBondContact O-N 3.4Å; I215-S218 PolarHBondContact O-OG 3.05Å; I215-M219 HydrophobicContact CG2-CE 4.32Å; I215-M219 PolarHBondContact O-N 2.96Å; I215-M219 VanDerWaalsContact O-N 3.13Å; I215-A251 WeakPolarHBondContact CG2-O 3.4Å; I215-T254 HydrophobicContact CD1-CG2 4.48Å
216F96.4Very high92.6Very high69 Ų6942.4 Ų42.430%0.30323%0.225SC..Hα-helixtrans-62.4-40.2174.9-70-64.8000112.8A212 A213 S218 M219 A220 L252 V256 T259A212-F216 HydrophobicContact CB-CE2 4.26Å; A212-F216 WeakPolarHBondContact O-CD2 3.33Å; A212-F216 PolarHBondContact O-N 3.2Å; A213-F216 PolarHBondContact O-N 2.84Å; F216-S218 VanDerWaalsContact C-N 3.32Å; F216-S218 PolarHBondContact O-N 2.64Å; F216-M219 HydrophobicContact CB-CE 4.38Å; F216-M219 HydrophobicContact CD1-CE 3.2Å; F216-M219 HydrophobicContact CE1-CE 3.68Å; F216-M219 HydrophobicContact CG-CE 4.06Å; F216-M219 PolarHBondContact O-N 3.4Å; F216-A220 WeakPolarHBondContact O-CB 3.48Å; F216-A220 PolarHBondContact O-N 3.25Å; F216-L252 HydrophobicContact CE1-CD1 3.99Å; F216-V256 HydrophobicContact CE1-CG2 4.47Å; F216-V256 HydrophobicContact CZ-CG2 4.12Å; F216-T259 WeakPolarHBondContact CE2-OG1 3.31Å
217F95.3Very high91.6Very high126 Ų12643.9 Ų43.955%0.55324%0.241SC*.Hα-helixtrans-63-37.6174.2-67.7-38.8000112.5T181 A213 F214 I215 M219 A220 S221T181-F217 HydrophobicContact CG2-CB 4.28Å; A213-F217 HydrophobicContact CB-CE2 4.45Å; A213-F217 VanDerWaalsContact O-CD2 3.31Å; A213-F217 WeakPolarHBondContact O-CD2 3.4Å; A213-F217 WeakPolarHBondContact O-CG 3.02Å; A213-F217 PolarHBondContact O-N 3.42Å; F214-F217 HydrophobicContact CD1-CD2 4.12Å; F214-F217 PolarHBondContact O-N 3.4Å; I215-F217 PolarHBondContact O-N 3.22Å; F217-M219 VanDerWaalsContact C-N 3.34Å; F217-M219 PolarHBondContact O-N 3Å; F217-A220 PolarHBondContact O-N 3.29Å; F217-S221 VanDerWaalsContact O-CB 3.28Å; F217-S221 WeakPolarHBondContact O-CB 3.45Å; F217-S221 PolarHBondContact O-N 2.79Å
218S94.9Very high90.2Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-61.4-43.2174.879.30000111.9T181 F214 I215 F216 S221 F222T181-S218 VanDerWaalsContact OG1-CA 3.27Å; T181-S218 WeakPolarHBondContact OG1-CA 3.5Å; T181-S218 WeakPolarHBondContact OG1-CB 3.47Å; F214-S218 PolarHBondContact O-N 3.38Å; I215-S218 WeakPolarHBondContact O-CB 3.39Å; I215-S218 PolarHBondContact O-N 3.4Å; I215-S218 PolarHBondContact O-OG 3.05Å; F216-S218 VanDerWaalsContact C-N 3.32Å; F216-S218 PolarHBondContact O-N 2.64Å; S218-S221 PolarHBondContact O-N 3.28Å; S218-F222 PolarHBondContact O-N 3.11Å
219M93.4Very high88.5Confident10 Ų1047.6 Ų47.65%0.04927%0.268CS..Hα-helixtrans-68.7-42.1177.6-67.2-173.3-65.600112.1I215 F216 F217 S221 F222 S223 F248 A251 L252I215-M219 HydrophobicContact CG2-CE 4.32Å; I215-M219 PolarHBondContact O-N 2.96Å; I215-M219 VanDerWaalsContact O-N 3.13Å; F216-M219 HydrophobicContact CB-CE 4.38Å; F216-M219 HydrophobicContact CD1-CE 3.2Å; F216-M219 HydrophobicContact CE1-CE 3.68Å; F216-M219 HydrophobicContact CG-CE 4.06Å; F216-M219 PolarHBondContact O-N 3.4Å; F217-M219 VanDerWaalsContact C-N 3.34Å; F217-M219 PolarHBondContact O-N 3Å; M219-S221 VanDerWaalsContact C-N 3.34Å; M219-F222 PolarHBondContact O-N 3.48Å; M219-S223 WeakPolarHBondContact O-CB 3.12Å; M219-S223 PolarHBondContact O-N 2.71Å; M219-F248 HydrophobicContact CB-CE2 3.96Å; M219-F248 HydrophobicContact CB-CZ 4.24Å; M219-F248 HydrophobicContact CG-CE2 4.19Å; M219-A251 HydrophobicContact CG-CB 4.07Å; M219-A251 HydrophobicContact SD-CB 3.88Å; M219-L252 HydrophobicContact CE-CB 4.39Å; M219-L252 HydrophobicContact CE-CD1 3.83Å; M219-L252 WeakPolarHBondContact SD-CA 3.33Å; M219-L252 HydrophobicContact SD-CB 3.78Å; M219-L252 HydrophobicContact SD-CD1 4.16Å; M219-L252 PolarHBondContact SD-N 3.48Å; M219-L252 VanDerWaalsContact SD-N 3.35Å
220A92.9Very high87Confident57 Ų5755 Ų5547%0.47129%0.292SS..Hα-helixtrans-61.8-44.2176.100000111F216 F217 S223 T224F216-A220 WeakPolarHBondContact O-CB 3.48Å; F216-A220 PolarHBondContact O-N 3.25Å; F217-A220 PolarHBondContact O-N 3.29Å; A220-S223 PolarHBondContact O-N 2.93Å; A220-T224 PolarHBondContact O-N 2.9Å
221S91.8Very high86Confident23 Ų2354.9 Ų54.916%0.16129%0.289CS..Hα-helixtrans-57.4-49.6174.4178.30000111.1S174 F177 F217 S218 M219 S223 T224S174-S221 WeakPolarHBondContact CB-O 3.4Å; S174-S221 PolarHBondContact O-OG 2.78Å; F177-S221 VanDerWaalsContact CB-OG 3.28Å; F177-S221 WeakPolarHBondContact CB-OG 3.43Å; F217-S221 VanDerWaalsContact O-CB 3.28Å; F217-S221 WeakPolarHBondContact O-CB 3.45Å; F217-S221 PolarHBondContact O-N 2.79Å; S218-S221 PolarHBondContact O-N 3.28Å; M219-S221 VanDerWaalsContact C-N 3.34Å; S221-S223 VanDerWaalsContact C-N 3.31Å; S221-S223 PolarHBondContact O-N 2.81Å; S221-T224 WeakPolarHBondContact O-CB 3.23Å; S221-T224 WeakPolarHBondContact O-CG2 3.46Å; S221-T224 PolarHBondContact O-N 3.03Å; S221-T224 PolarHBondContact O-OG1 3.2Å
222F90.6Very high85.1Confident2 Ų258 Ų581%0.00931%0.308CS..Hα-helixtrans-65.9-32.5178.3-167-96.1000112.7W76 A77 V103 L105 S218 M219 T224 I225 Y244 F248W76-F222 HydrophobicContact CB-CD1 4.46Å; W76-F222 HydrophobicContact CB-CD2 4.4Å; W76-F222 HydrophobicContact CB-CE1 3.77Å; W76-F222 HydrophobicContact CB-CE2 3.7Å; W76-F222 HydrophobicContact CB-CZ 3.34Å; W76-F222 HydrophobicContact CD2-CD2 4.45Å; W76-F222 HydrophobicContact CE3-CB 4.18Å; W76-F222 AromaticContact CE3-CD1 3.93Å; W76-F222 HydrophobicContact CE3-CD1 3.93Å; W76-F222 HydrophobicContact CE3-CD2 4.05Å; W76-F222 HydrophobicContact CE3-CE1 4.36Å; W76-F222 HydrophobicContact CE3-CE2 4.47Å; W76-F222 AromaticContact CE3-CG 3.77Å; W76-F222 HydrophobicContact CE3-CG 3.77Å; W76-F222 HydrophobicContact CG-CE2 4.26Å; W76-F222 HydrophobicContact CG-CZ 4.32Å; W76-F222 HydrophobicContact CZ3-CB 4.26Å; W76-F222 HydrophobicContact CZ3-CG 4.36Å; A77-F222 HydrophobicContact CB-CE1 4.05Å; A77-F222 HydrophobicContact CB-CZ 4.02Å; V103-F222 HydrophobicContact CG1-CZ 4.48Å; L105-F222 HydrophobicContact CD2-CD2 3.95Å; L105-F222 HydrophobicContact CD2-CE2 4.26Å; S218-F222 PolarHBondContact O-N 3.11Å; M219-F222 PolarHBondContact O-N 3.48Å; F222-T224 PolarHBondContact O-N 3.39Å; F222-I225 HydrophobicContact CD1-CD1 4.06Å; F222-I225 HydrophobicContact CD2-CD1 3.48Å; F222-I225 VanDerWaalsContact CD2-CD1 3.48Å; F222-I225 HydrophobicContact CE1-CD1 3.91Å; F222-I225 HydrophobicContact CE2-CD1 3.3Å; F222-I225 HydrophobicContact CG-CD1 3.85Å; F222-I225 HydrophobicContact CZ-CD1 3.52Å; F222-I225 VanDerWaalsContact O-CB 3.32Å; F222-I225 WeakPolarHBondContact O-CB 3.43Å; F222-I225 VanDerWaalsContact O-CD1 3.26Å; F222-I225 WeakPolarHBondContact O-CD1 3.22Å; F222-I225 WeakPolarHBondContact O-CG1 3.1Å; F222-I225 PolarHBondContact O-N 3.32Å; F222-Y244 HydrophobicContact CD1-CE1 4.28Å; F222-Y244 HydrophobicContact CE1-CD1 4.42Å; F222-Y244 HydrophobicContact CE1-CE1 4.39Å; F222-F248 HydrophobicContact CD1-CD2 4.23Å; F222-F248 HydrophobicContact CD1-CE2 4.45Å
223S90Very high84.3Confident47 Ų4758.2 Ų58.233%0.32931%0.308SS..Hα-helixtrans-65.2-20.6178.4-171.90000113.3M219 A220 S221 I225 K226 Y244M219-S223 WeakPolarHBondContact O-CB 3.12Å; M219-S223 PolarHBondContact O-N 2.71Å; A220-S223 PolarHBondContact O-N 2.93Å; S221-S223 VanDerWaalsContact C-N 3.31Å; S221-S223 PolarHBondContact O-N 2.81Å; S223-I225 PolarHBondContact O-N 2.92Å; S223-I225 VanDerWaalsContact O-N 3.16Å; S223-K226 PolarHBondContact O-N 3.03Å; S223-Y244 PolarHBondContact OG-OH 2.96Å; S223-Y244 VanDerWaalsContact OG-OH 3.06Å
224T86.3Confident83.5Confident58 Ų5859.5 Ų59.536%0.35632%0.315SS..G310 helixtrans-62.6-20.917865.20000112.9A220 S221 F222 K226 N227A220-T224 PolarHBondContact O-N 2.9Å; S221-T224 WeakPolarHBondContact O-CB 3.23Å; S221-T224 WeakPolarHBondContact O-CG2 3.46Å; S221-T224 PolarHBondContact O-N 3.03Å; S221-T224 PolarHBondContact O-OG1 3.2Å; F222-T224 PolarHBondContact O-N 3.39Å; T224-K226 PolarHBondContact O-N 3.32Å; T224-K226 VanDerWaalsContact O-N 3.15Å; T224-N227 WeakPolarHBondContact O-CB 3.47Å; T224-N227 PolarHBondContact O-N 3.46Å
225I81.7Confident82.6Confident12 Ų1257.3 Ų57.36%0.06231%0.306CS..G310 helixtrans-54.6-33.4174.8-65.5170000112.2Y171 S174 F222 S223 N227 V228Y171-I225 HydrophobicContact CD1-CD1 3.72Å; Y171-I225 HydrophobicContact CD1-CG1 4.23Å; Y171-I225 HydrophobicContact CD1-CG2 3.89Å; Y171-I225 HydrophobicContact CD2-CG2 4.17Å; Y171-I225 HydrophobicContact CE1-CB 4.46Å; Y171-I225 HydrophobicContact CE1-CD1 3.94Å; Y171-I225 HydrophobicContact CE1-CG1 4.41Å; Y171-I225 HydrophobicContact CE1-CG2 3.3Å; Y171-I225 HydrophobicContact CE2-CG2 3.62Å; Y171-I225 HydrophobicContact CG-CD1 4.45Å; Y171-I225 HydrophobicContact CG-CG2 4.32Å; Y171-I225 WeakPolarHBondContact OH-CG2 3.48Å; S174-I225 WeakPolarHBondContact OG-CD1 3.3Å; S174-I225 WeakPolarHBondContact OG-CG1 3.18Å; F222-I225 HydrophobicContact CD1-CD1 4.06Å; F222-I225 HydrophobicContact CD2-CD1 3.48Å; F222-I225 VanDerWaalsContact CD2-CD1 3.48Å; F222-I225 HydrophobicContact CE1-CD1 3.91Å; F222-I225 HydrophobicContact CE2-CD1 3.3Å; F222-I225 HydrophobicContact CG-CD1 3.85Å; F222-I225 HydrophobicContact CZ-CD1 3.52Å; F222-I225 VanDerWaalsContact O-CB 3.32Å; F222-I225 WeakPolarHBondContact O-CB 3.43Å; F222-I225 VanDerWaalsContact O-CD1 3.26Å; F222-I225 WeakPolarHBondContact O-CD1 3.22Å; F222-I225 WeakPolarHBondContact O-CG1 3.1Å; F222-I225 PolarHBondContact O-N 3.32Å; S223-I225 PolarHBondContact O-N 2.92Å; S223-I225 VanDerWaalsContact O-N 3.16Å; I225-N227 VanDerWaalsContact C-N 3.29Å; I225-N227 PolarHBondContact O-N 3.46Å; I225-V228 WeakPolarHBondContact O-CG2 3.38Å
226K77.4Confident81.5Confident110 Ų11060.3 Ų60.348%0.47834%0.337SS..G310 helixtrans-76.2-11179.8-71.8-161.6175.4-172.90114.4S223 T224 V228 Y244S223-K226 PolarHBondContact O-N 3.03Å; T224-K226 PolarHBondContact O-N 3.32Å; T224-K226 VanDerWaalsContact O-N 3.15Å; K226-V228 VanDerWaalsContact C-N 3.3Å; K226-Y244 HydrophobicContact CD-CE2 4.01Å; K226-Y244 WeakPolarHBondContact CD-OH 3.47Å; K226-Y244 VanDerWaalsContact CE-CZ 3.49Å
227N72.1Confident80.4Confident143 Ų14366.6 Ų66.677%0.76537%0.367SS*.G310 helixtrans-83.1-5.2178.1-77.6-14.3000113.5T224 I225T224-N227 WeakPolarHBondContact O-CB 3.47Å; T224-N227 PolarHBondContact O-N 3.46Å; I225-N227 VanDerWaalsContact C-N 3.29Å; I225-N227 PolarHBondContact O-N 3.46Å
228V65.4Low79.4Confident27 Ų2764.6 Ų64.616%0.16436%0.363CS..SBendtrans-79.9144-178.7-173.20000109.7Q170 I225 K226 R230Q170-V228 HydrophobicContact CB-CG2 3.58Å; Q170-V228 HydrophobicContact CG-CB 4.5Å; Q170-V228 HydrophobicContact CG-CG1 4.23Å; Q170-V228 HydrophobicContact CG-CG2 3.4Å; I225-V228 WeakPolarHBondContact O-CG2 3.38Å; K226-V228 VanDerWaalsContact C-N 3.3Å; V228-R230 PolarHBondContact O-N 3.32Å
229P58.7Low78.6Confident107 Ų10768.1 Ų68.170%0.69539%0.387SS*.  trans-47.9131.1173.417.3-31.8000110.9C231P229-C231 PolarHBondContact O-N 3.02Å
230R63.3Low77.9Confident229 Ų22968.2 Ų68.286%0.86439%0.388SS*.  trans-63.898.4-170.7-65.3-175.6-172.1175.92.6110.2V228 V232V228-R230 PolarHBondContact O-N 3.32Å; R230-V232 PolarHBondContact O-N 2.93Å; R230-V232 VanDerWaalsContact O-N 3.16Å
231C73.5Confident77.3Confident27 Ų2770 Ų7018%0.18239%0.392CS..  trans-68.7108.7161.3-134.70000108.2C165 M167 P229C165-C231 HydrophobicContact CB-CB 4.14Å; C165-C231 WeakPolarHBondContact CB-SG 3.42Å; C165-C231 VanDerWaalsContact SG-CA 3.51Å; C165-C231 WeakPolarHBondContact SG-CB 3.43Å; C165-C231 CovalentContact SG-SG 2.01Å; C165-C231 PolarHBondContact SG-SG 3.27Å; M167-C231 HydrophobicContact CE-CB 3.53Å; M167-C231 VanDerWaalsContact CE-SG 3.52Å; M167-C231 HydrophobicContact CG-CB 4.15Å; M167-C231 HydrophobicContact SD-CB 3.34Å; M167-C231 WeakPolarHBondContact SD-CB 3.45Å; P229-C231 PolarHBondContact O-N 3.02Å
232V77.6Confident76.9Confident71 Ų7169.8 Ų69.843%0.4339%0.39SS..  trans-81.5126.2173-176.50000107.8K158 R230 S234K158-V232 PolarHBondContact NZ-O 3.28Å; R230-V232 PolarHBondContact O-N 2.93Å; R230-V232 VanDerWaalsContact O-N 3.16Å; V232-S234 PolarHBondContact O-N 3.47Å
233F79.1Confident76.8Confident4 Ų476.3 Ų76.32%0.01842%0.421CS..EExtended strand (participates in β ladder)trans-84.8103.6168.6-61-91000107L101 I155 K158 F159 M167 S239 F240L101-F233 HydrophobicContact CD2-CE1 4.32Å; L101-F233 HydrophobicContact CD2-CE2 4.22Å; L101-F233 HydrophobicContact CD2-CZ 3.92Å; I155-F233 HydrophobicContact CG2-CE1 4.44Å; K158-F233 HydrophobicContact CB-CE1 4.1Å; K158-F233 HydrophobicContact CD-CD1 3.59Å; K158-F233 HydrophobicContact CD-CE1 3.63Å; K158-F233 HydrophobicContact CD-CG 4.47Å; K158-F233 HydrophobicContact CG-CD1 4.47Å; K158-F233 HydrophobicContact CG-CE1 4.26Å; F159-F233 HydrophobicContact CE2-CE1 4.01Å; F159-F233 AromaticContact CE2-CZ 3.9Å; F159-F233 HydrophobicContact CE2-CZ 3.9Å; F159-F233 AromaticContact CZ-CZ 3.99Å; F159-F233 HydrophobicContact CZ-CZ 3.99Å; M167-F233 HydrophobicContact CE-CE1 3.99Å; M167-F233 HydrophobicContact CE-CE2 4.44Å; M167-F233 HydrophobicContact CE-CZ 3.61Å; M167-F233 HydrophobicContact SD-CE2 4.46Å; M167-F233 HydrophobicContact SD-CZ 4.03Å; F233-S239 WeakPolarHBondContact O-CA 3.5Å; F233-S239 WeakPolarHBondContact O-CB 3.28Å; F233-F240 HydrophobicContact CB-CD1 3.96Å; F233-F240 HydrophobicContact CB-CD2 4.13Å; F233-F240 HydrophobicContact CB-CE1 3.62Å; F233-F240 HydrophobicContact CB-CE2 3.84Å; F233-F240 HydrophobicContact CB-CG 4.22Å; F233-F240 HydrophobicContact CB-CZ 3.58Å; F233-F240 HydrophobicContact CD1-CE2 4.41Å; F233-F240 HydrophobicContact CD1-CZ 4.2Å; F233-F240 HydrophobicContact CD2-CD2 4.2Å; F233-F240 AromaticContact CD2-CE2 3.9Å; F233-F240 HydrophobicContact CD2-CE2 3.9Å; F233-F240 HydrophobicContact CD2-CZ 4.39Å; F233-F240 HydrophobicContact CG-CD2 4.35Å; F233-F240 HydrophobicContact CG-CE1 4.38Å; F233-F240 AromaticContact CG-CE2 3.81Å; F233-F240 HydrophobicContact CG-CE2 3.81Å; F233-F240 AromaticContact CG-CZ 3.83Å; F233-F240 HydrophobicContact CG-CZ 3.83Å; F233-F240 PolarHBondContact O-N 3.4Å; F233-F240 VanDerWaalsContact O-N 3.11Å
234S79.8Confident76.8Confident65 Ų6576.5 Ų76.546%0.45541%0.414SS..EExtended strand (participates in β ladder)trans-102.1116.6174.451.10000109.1Y154 V232Y154-S234 WeakPolarHBondContact CE1-O 3.44Å; Y154-S234 PolarHBondContact OH-O 3.16Å; Y154-S234 VanDerWaalsContact OH-O 3.08Å; V232-S234 PolarHBondContact O-N 3.47Å
235I78.3Confident77Confident15 Ų1574.1 Ų74.18%0.07740%0.4CS..EExtended strand (participates in β ladder)trans-125105175.3-52.6-177.7000107.3M81 V85 V99 Y154 I155 D238 F240M81-I235 HydrophobicContact CE-CB 3.77Å; M81-I235 VanDerWaalsContact CE-O 3.3Å; M81-I235 WeakPolarHBondContact CE-O 3.16Å; V85-I235 HydrophobicContact CB-CG2 4.25Å; V85-I235 HydrophobicContact CG1-CG2 3.43Å; V85-I235 VanDerWaalsContact CG1-CG2 3.43Å; V99-I235 HydrophobicContact CG1-CD1 4.23Å; Y154-I235 HydrophobicContact CD1-CD1 4.16Å; Y154-I235 HydrophobicContact CD1-CG1 3.91Å; Y154-I235 HydrophobicContact CE1-CD1 4.48Å; Y154-I235 HydrophobicContact CE1-CG1 3.84Å; I155-I235 HydrophobicContact CD1-CD1 4.11Å; I155-I235 HydrophobicContact CG1-CD1 4.23Å; I235-D238 PolarHBondContact N-O 2.96Å; I235-F240 HydrophobicContact CD1-CE1 3.78Å; I235-F240 HydrophobicContact CD1-CZ 4.5Å; I235-F240 HydrophobicContact CG1-CE1 4.26Å
236G73.9Confident77.4Confident64 Ų6480.9 Ų80.966%0.6643%0.431SS*.THydrogen-bonded Turntrans72.8-131.3-169.800000111
237E72Confident78.1Confident201 Ų20176.3 Ų76.394%0.93941%0.413SS*.THydrogen-bonded Turntrans-88-18.5180-64.6-172.4167.800113.4
238D73.8Confident79Confident85 Ų8570.6 Ų70.646%0.45538%0.381SS..EExtended strand (participates in β ladder)trans-99.3154.5-176.6-62.7-40.9000112.1M81 T83 I235M81-D238 HydrophobicContact CE-CB 3.66Å; M81-D238 HydrophobicContact CG-CB 4.38Å; M81-D238 HydrophobicContact SD-CB 3.36Å; M81-D238 WeakPolarHBondContact SD-CB 3.27Å; T83-D238 HydrophobicContact CG2-CB 3.66Å; T83-D238 WeakPolarHBondContact CG2-OD2 3.5Å; I235-D238 PolarHBondContact N-O 2.96Å
239S79Confident80.4Confident74 Ų7476.2 Ų76.252%0.51740%0.4SS..EExtended strand (participates in β ladder)trans-128.7145.5174.265.10000111.6F233F233-S239 WeakPolarHBondContact O-CA 3.5Å; F233-S239 WeakPolarHBondContact O-CB 3.28Å
240F79.2Confident82.1Confident12 Ų1274.5 Ų74.55%0.05338%0.384CS..EExtended strand (participates in β ladder)trans-127150.1177.968.1-95.2000112.1A79 M81 L101 I155 F233 I235A79-F240 HydrophobicContact CB-CD2 3.29Å; A79-F240 HydrophobicContact CB-CE2 3.75Å; A79-F240 HydrophobicContact CB-CG 4.27Å; M81-F240 HydrophobicContact CB-CB 4.21Å; M81-F240 HydrophobicContact CB-CD1 4.06Å; M81-F240 HydrophobicContact CB-CG 4.39Å; M81-F240 HydrophobicContact CE-CD1 4.15Å; M81-F240 HydrophobicContact SD-CB 4.15Å; M81-F240 HydrophobicContact SD-CD1 3.79Å; M81-F240 HydrophobicContact SD-CG 4.45Å; L101-F240 HydrophobicContact CB-CE2 4.06Å; L101-F240 HydrophobicContact CD2-CE2 4.21Å; I155-F240 HydrophobicContact CD1-CZ 3.95Å; I155-F240 HydrophobicContact CG1-CZ 4.35Å; F233-F240 HydrophobicContact CB-CD1 3.96Å; F233-F240 HydrophobicContact CB-CD2 4.13Å; F233-F240 HydrophobicContact CB-CE1 3.62Å; F233-F240 HydrophobicContact CB-CE2 3.84Å; F233-F240 HydrophobicContact CB-CG 4.22Å; F233-F240 HydrophobicContact CB-CZ 3.58Å; F233-F240 HydrophobicContact CD1-CE2 4.41Å; F233-F240 HydrophobicContact CD1-CZ 4.2Å; F233-F240 HydrophobicContact CD2-CD2 4.2Å; F233-F240 AromaticContact CD2-CE2 3.9Å; F233-F240 HydrophobicContact CD2-CE2 3.9Å; F233-F240 HydrophobicContact CD2-CZ 4.39Å; F233-F240 HydrophobicContact CG-CD2 4.35Å; F233-F240 HydrophobicContact CG-CE1 4.38Å; F233-F240 AromaticContact CG-CE2 3.81Å; F233-F240 HydrophobicContact CG-CE2 3.81Å; F233-F240 AromaticContact CG-CZ 3.83Å; F233-F240 HydrophobicContact CG-CZ 3.83Å; F233-F240 PolarHBondContact O-N 3.4Å; F233-F240 VanDerWaalsContact O-N 3.11Å; I235-F240 HydrophobicContact CD1-CE1 3.78Å; I235-F240 HydrophobicContact CD1-CZ 4.5Å; I235-F240 HydrophobicContact CG1-CE1 4.26Å
241V80.8Confident83.6Confident95 Ų9563.6 Ų63.658%0.57634%0.343SS*.  trans-122.5148179.7-179.70000108.2A79A79-V241 WeakPolarHBondContact CB-O 3.28Å
242T82.6Confident84.6Confident18 Ų1865.2 Ų65.211%0.1135%0.35CS..  trans-74.2126.7178.150.70000111.8A79 L101 V103 Y171A79-T242 HydrophobicContact CB-CG2 4.36Å; L101-T242 HydrophobicContact CD2-CG2 3.99Å; V103-T242 HydrophobicContact CG2-CG2 4.49Å; Y171-T242 PolarHBondContact OH-OG1 3.32Å
243E87.8Confident85.5Confident139 Ų13964.7 Ų64.765%0.6535%0.353SS*.EExtended strand (participates in β ladder)trans-107.7159.9174.4-63.6-169.1170.400110.9A77 E78 S245A77-E243 CarbonylContact C-O 3.46Å; A77-E243 WeakPolarHBondContact CA-O 3.44Å; A77-E243 WeakPolarHBondContact CB-O 3.06Å; E78-E243 PolarHBondContact N-O 3.17Å; E78-E243 PolarHBondContact O-N 2.85Å; E243-S245 PolarHBondContact O-N 3.46Å
244Y90.1Very high86.2Confident51 Ų5164.6 Ų64.620%0.235%0.352CS..EExtended strand (participates in β ladder)trans-73127.1175.7-64.8-57.8000109.7F222 S223 K226 F248F222-Y244 HydrophobicContact CD1-CE1 4.28Å; F222-Y244 HydrophobicContact CE1-CD1 4.42Å; F222-Y244 HydrophobicContact CE1-CE1 4.39Å; S223-Y244 PolarHBondContact OG-OH 2.96Å; S223-Y244 VanDerWaalsContact OG-OH 3.06Å; K226-Y244 HydrophobicContact CD-CE2 4.01Å; K226-Y244 WeakPolarHBondContact CD-OH 3.47Å; K226-Y244 VanDerWaalsContact CE-CZ 3.49Å; Y244-F248 HydrophobicContact CD1-CD1 4.19Å; Y244-F248 AromaticContact CD1-CD2 4Å; Y244-F248 HydrophobicContact CD1-CD2 4Å; Y244-F248 HydrophobicContact CD1-CE1 4.41Å; Y244-F248 HydrophobicContact CD1-CE2 4.22Å; Y244-F248 AromaticContact CD1-CG 3.98Å; Y244-F248 HydrophobicContact CD1-CG 3.98Å; Y244-F248 HydrophobicContact CD1-CZ 4.42Å; Y244-F248 HydrophobicContact CD2-CD1 4.42Å; Y244-F248 HydrophobicContact CD2-CE1 4.31Å; Y244-F248 HydrophobicContact CE1-CD2 4.35Å; Y244-F248 HydrophobicContact CE1-CE2 4.16Å; Y244-F248 HydrophobicContact CE1-CZ 4.33Å; Y244-F248 AromaticContact CG-CD1 3.96Å; Y244-F248 HydrophobicContact CG-CD1 3.96Å; Y244-F248 HydrophobicContact CG-CE1 4.23Å; Y244-F248 HydrophobicContact CG-CG 4.14Å
245S90.3Very high87Confident7 Ų761.5 Ų61.55%0.04933%0.331CS..  trans-88.5177.3-178.6-174.60000111.4S75 W76 E78 E243 S247 F248 W249S75-S245 VanDerWaalsContact O-CB 3.29Å; S75-S245 WeakPolarHBondContact O-CB 3.48Å; S75-S245 PolarHBondContact O-OG 2.99Å; W76-S245 PolarHBondContact O-N 3.49Å; E78-S245 PolarHBondContact OE2-OG 3.27Å; E243-S245 PolarHBondContact O-N 3.46Å; S245-S247 PolarHBondContact O-N 3.42Å; S245-F248 WeakPolarHBondContact O-CB 3.49Å; S245-F248 PolarHBondContact O-N 3.49Å; S245-F248 VanDerWaalsContact O-N 3.09Å; S245-W249 VanDerWaalsContact O-CD1 3.29Å
246H90.9Very high87.9Confident155 Ų15563.9 Ų63.972%0.71835%0.346SS*.Hα-helixtrans-57.9-31.5-176.7-64.8-73.4000113.6F248 W249 L250H246-F248 VanDerWaalsContact C-N 3.31Å; H246-F248 PolarHBondContact O-N 3.24Å; H246-W249 PolarHBondContact O-N 2.84Å; H246-L250 WeakPolarHBondContact O-CB 3.41Å; H246-L250 PolarHBondContact O-N 3.38Å
247S91.4Very high88.9Confident14 Ų1463.6 Ų63.610%0.09833%0.329CS..Hα-helixtrans-65.1-35.1177.8-54.90000112.3L70 T73 S75 S245 L250 A251L70-S247 WeakPolarHBondContact CD2-O 3.26Å; T73-S247 PolarHBondContact OG1-OG 3.26Å; S75-S247 WeakPolarHBondContact O-CB 3.12Å; S75-S247 PolarHBondContact O-OG 3Å; S75-S247 VanDerWaalsContact O-OG 3.1Å; S75-S247 PolarHBondContact OG-OG 2.94Å; S245-S247 PolarHBondContact O-N 3.42Å; S247-L250 PolarHBondContact O-N 3.33Å; S247-A251 PolarHBondContact O-N 2.84Å
248F92Very high90Very high22 Ų2254 Ų5410%0.09628%0.284CS..Hα-helixtrans-64.1-44.7175.8-175.9-92.1000111.3W76 M219 F222 Y244 S245 H246 L250 A251 L252W76-F248 HydrophobicContact CE3-CD2 4.17Å; W76-F248 HydrophobicContact CZ3-CD2 4.28Å; M219-F248 HydrophobicContact CB-CE2 3.96Å; M219-F248 HydrophobicContact CB-CZ 4.24Å; M219-F248 HydrophobicContact CG-CE2 4.19Å; F222-F248 HydrophobicContact CD1-CD2 4.23Å; F222-F248 HydrophobicContact CD1-CE2 4.45Å; Y244-F248 HydrophobicContact CD1-CD1 4.19Å; Y244-F248 AromaticContact CD1-CD2 4Å; Y244-F248 HydrophobicContact CD1-CD2 4Å; Y244-F248 HydrophobicContact CD1-CE1 4.41Å; Y244-F248 HydrophobicContact CD1-CE2 4.22Å; Y244-F248 AromaticContact CD1-CG 3.98Å; Y244-F248 HydrophobicContact CD1-CG 3.98Å; Y244-F248 HydrophobicContact CD1-CZ 4.42Å; Y244-F248 HydrophobicContact CD2-CD1 4.42Å; Y244-F248 HydrophobicContact CD2-CE1 4.31Å; Y244-F248 HydrophobicContact CE1-CD2 4.35Å; Y244-F248 HydrophobicContact CE1-CE2 4.16Å; Y244-F248 HydrophobicContact CE1-CZ 4.33Å; Y244-F248 AromaticContact CG-CD1 3.96Å; Y244-F248 HydrophobicContact CG-CD1 3.96Å; Y244-F248 HydrophobicContact CG-CE1 4.23Å; Y244-F248 HydrophobicContact CG-CG 4.14Å; S245-F248 WeakPolarHBondContact O-CB 3.49Å; S245-F248 PolarHBondContact O-N 3.49Å; S245-F248 VanDerWaalsContact O-N 3.09Å; H246-F248 VanDerWaalsContact C-N 3.31Å; H246-F248 PolarHBondContact O-N 3.24Å; F248-L250 VanDerWaalsContact C-N 3.33Å; F248-L250 PolarHBondContact O-N 3Å; F248-A251 WeakPolarHBondContact O-CB 3.47Å; F248-A251 PolarHBondContact O-N 2.8Å; F248-L252 PolarHBondContact O-N 2.86Å
249W93.9Very high91Very high145 Ų14552.5 Ų52.555%0.54928%0.278SS..Hα-helixtrans-66.6-34.9176.3-63107.7000112.7S245 H246 L252 A253S245-W249 VanDerWaalsContact O-CD1 3.29Å; H246-W249 PolarHBondContact O-N 2.84Å; W249-L252 HydrophobicContact CE3-CD2 3.93Å; W249-L252 HydrophobicContact CZ3-CD2 3.97Å; W249-L252 PolarHBondContact O-N 3.47Å; W249-A253 WeakPolarHBondContact O-CB 3.25Å; W249-A253 PolarHBondContact O-N 2.92Å
250L94.1Very high91.8Very high72 Ų7254 Ų5438%0.37728%0.279SS..Hα-helixtrans-65.2-39.8173.9-176.564.8000111.7V66 L70 H246 S247 F248 L252 A253 T254V66-L250 HydrophobicContact CG1-CD1 4.42Å; V66-L250 HydrophobicContact CG1-CD2 3.95Å; V66-L250 HydrophobicContact CG1-CG 3.82Å; L70-L250 HydrophobicContact CD2-CB 4.48Å; L70-L250 HydrophobicContact CD2-CD2 4.44Å; H246-L250 WeakPolarHBondContact O-CB 3.41Å; H246-L250 PolarHBondContact O-N 3.38Å; S247-L250 PolarHBondContact O-N 3.33Å; F248-L250 VanDerWaalsContact C-N 3.33Å; F248-L250 PolarHBondContact O-N 3Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-A253 PolarHBondContact O-N 3.44Å; L250-T254 WeakPolarHBondContact O-CB 3.4Å; L250-T254 PolarHBondContact O-N 2.99Å; L250-T254 PolarHBondContact O-OG1 3.41Å
251A94.8Very high92.4Very high0 Ų055.6 Ų55.60%029%0.288CS..Hα-helixtrans-60.5-44.2172.800000111.3L70 W76 I215 M219 S247 F248 T254 G255L70-A251 HydrophobicContact CD1-CB 3.59Å; L70-A251 HydrophobicContact CD2-CB 4.17Å; W76-A251 HydrophobicContact CH2-CB 4.43Å; I215-A251 WeakPolarHBondContact CG2-O 3.4Å; M219-A251 HydrophobicContact CG-CB 4.07Å; M219-A251 HydrophobicContact SD-CB 3.88Å; S247-A251 PolarHBondContact O-N 2.84Å; F248-A251 WeakPolarHBondContact O-CB 3.47Å; F248-A251 PolarHBondContact O-N 2.8Å; A251-T254 PolarHBondContact O-N 3.2Å; A251-G255 PolarHBondContact O-N 2.98Å
252L95.3Very high92.9Very high60 Ų6051 Ų5131%0.31426%0.26SS..Hα-helixtrans-61.7-49.2177.5-177.265.5000111.8F216 M219 F248 W249 L250 T254 G255 V256F216-L252 HydrophobicContact CE1-CD1 3.99Å; M219-L252 HydrophobicContact CE-CB 4.39Å; M219-L252 HydrophobicContact CE-CD1 3.83Å; M219-L252 WeakPolarHBondContact SD-CA 3.33Å; M219-L252 HydrophobicContact SD-CB 3.78Å; M219-L252 HydrophobicContact SD-CD1 4.16Å; M219-L252 PolarHBondContact SD-N 3.48Å; M219-L252 VanDerWaalsContact SD-N 3.35Å; F248-L252 PolarHBondContact O-N 2.86Å; W249-L252 HydrophobicContact CE3-CD2 3.93Å; W249-L252 HydrophobicContact CZ3-CD2 3.97Å; W249-L252 PolarHBondContact O-N 3.47Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L252-T254 VanDerWaalsContact C-N 3.29Å; L252-T254 PolarHBondContact O-N 3.1Å; L252-G255 PolarHBondContact O-N 3.48Å; L252-V256 WeakPolarHBondContact O-CG2 3.22Å; L252-V256 PolarHBondContact O-N 3.49Å
253A95.9Very high93.4Very high60 Ų6056.5 Ų56.550%0.49628%0.283SS..Hα-helixtrans-59.1-41.6178.200000111.7W249 L250 L257W249-A253 WeakPolarHBondContact O-CB 3.25Å; W249-A253 PolarHBondContact O-N 2.92Å; L250-A253 PolarHBondContact O-N 3.44Å; A253-L257 WeakPolarHBondContact O-CB 3.33Å; A253-L257 PolarHBondContact O-N 2.88Å
254T95Very high93.6Very high2 Ų255.5 Ų55.51%0.01228%0.277CS..Hα-helixtrans-70.2-41179.6-51.40000111.8I63 V66 I215 L250 A251 L252 L257 C258I63-T254 HydrophobicContact CG1-CG2 4.34Å; I63-T254 HydrophobicContact CG2-CG2 4.26Å; V66-T254 HydrophobicContact CB-CG2 4.43Å; V66-T254 HydrophobicContact CG1-CG2 4.18Å; V66-T254 VanDerWaalsContact CG1-OG1 3.31Å; V66-T254 WeakPolarHBondContact CG1-OG1 3.46Å; I215-T254 HydrophobicContact CD1-CG2 4.48Å; L250-T254 WeakPolarHBondContact O-CB 3.4Å; L250-T254 PolarHBondContact O-N 2.99Å; L250-T254 PolarHBondContact O-OG1 3.41Å; A251-T254 PolarHBondContact O-N 3.2Å; L252-T254 VanDerWaalsContact C-N 3.29Å; L252-T254 PolarHBondContact O-N 3.1Å; T254-L257 PolarHBondContact O-N 2.87Å; T254-C258 PolarHBondContact O-N 3.38Å; T254-C258 PolarHBondContact O-SG 3.46Å; T254-C258 VanDerWaalsContact O-SG 3.32Å
255G95.8Very high93.5Very high0 Ų054.1 Ų54.10%027%0.273CS..Hα-helixtrans-59.3-47.317400000112A251 L252 L257 C258 T259A251-G255 PolarHBondContact O-N 2.98Å; L252-G255 PolarHBondContact O-N 3.48Å; G255-L257 PolarHBondContact O-N 2.87Å; G255-C258 PolarHBondContact O-N 3.21Å; G255-T259 PolarHBondContact O-N 2.93Å; G255-T259 PolarHBondContact O-OG1 3.18Å; G255-T259 VanDerWaalsContact O-OG1 3.11Å
256V96.6Very high93.4Very high65 Ų6554.6 Ų54.639%0.39428%0.276SS..Hα-helixtrans-62-44176.5172.10000111.5F216 L252 C258 T259 I260F216-V256 HydrophobicContact CE1-CG2 4.47Å; F216-V256 HydrophobicContact CZ-CG2 4.12Å; L252-V256 WeakPolarHBondContact O-CG2 3.22Å; L252-V256 PolarHBondContact O-N 3.49Å; V256-C258 VanDerWaalsContact C-N 3.35Å; V256-C258 PolarHBondContact O-N 3.22Å; V256-T259 PolarHBondContact O-N 3.11Å; V256-I260 HydrophobicContact CG1-CD1 3.79Å; V256-I260 HydrophobicContact CG1-CG1 4.37Å; V256-I260 WeakPolarHBondContact O-CG1 3.42Å; V256-I260 PolarHBondContact O-N 3.3Å
257L95.3Very high93.3Very high58 Ų5851.1 Ų51.130%0.30426%0.261SS..Hα-helixtrans-57.4-47.4176.1-178.367.9000111.4I59 I63 A253 T254 G255 T259 I260 I261I59-L257 HydrophobicContact CG2-CD2 4.44Å; I63-L257 HydrophobicContact CD1-CD2 4.4Å; I63-L257 HydrophobicContact CG1-CD2 4.25Å; A253-L257 WeakPolarHBondContact O-CB 3.33Å; A253-L257 PolarHBondContact O-N 2.88Å; T254-L257 PolarHBondContact O-N 2.87Å; G255-L257 PolarHBondContact O-N 2.87Å; L257-T259 VanDerWaalsContact C-N 3.35Å; L257-T259 PolarHBondContact O-N 2.81Å; L257-I260 PolarHBondContact O-N 2.8Å; L257-I261 HydrophobicContact CD1-CD1 4.16Å; L257-I261 HydrophobicContact CG-CD1 3.91Å; L257-I261 VanDerWaalsContact O-CG1 3.28Å; L257-I261 WeakPolarHBondContact O-CG1 3.23Å; L257-I261 PolarHBondContact O-N 3.36Å
258C94.9Very high92.9Very high1 Ų152.9 Ų52.91%0.00727%0.269CS..Hα-helixtrans-61.7-40.2176.6-69.90000112.2T208 A212 T254 G255 V256 I261 G262T208-C258 HydrophobicContact CG2-CB 4.45Å; A212-C258 HydrophobicContact CB-CB 3.68Å; T254-C258 PolarHBondContact O-N 3.38Å; T254-C258 PolarHBondContact O-SG 3.46Å; T254-C258 VanDerWaalsContact O-SG 3.32Å; G255-C258 PolarHBondContact O-N 3.21Å; V256-C258 VanDerWaalsContact C-N 3.35Å; V256-C258 PolarHBondContact O-N 3.22Å; C258-I261 PolarHBondContact O-N 2.93Å; C258-G262 PolarHBondContact O-N 3.48Å
259T95.1Very high92.6Very high53 Ų5355.7 Ų55.733%0.32528%0.279SS..Hα-helixtrans-63.4-44.4175.7-57.70000111.9A212 F216 G255 V256 L257 G262 F263A212-T259 WeakPolarHBondContact CB-OG1 3.41Å; F216-T259 WeakPolarHBondContact CE2-OG1 3.31Å; G255-T259 PolarHBondContact O-N 2.93Å; G255-T259 PolarHBondContact O-OG1 3.18Å; G255-T259 VanDerWaalsContact O-OG1 3.11Å; V256-T259 PolarHBondContact O-N 3.11Å; L257-T259 VanDerWaalsContact C-N 3.35Å; L257-T259 PolarHBondContact O-N 2.81Å; T259-G262 PolarHBondContact O-N 2.73Å; T259-F263 VanDerWaalsContact O-CB 3.22Å; T259-F263 WeakPolarHBondContact O-CB 3.21Å; T259-F263 PolarHBondContact O-N 3.42Å
260I95.3Very high91.9Very high104 Ų10455.6 Ų55.653%0.53328%0.283SS..Hα-helixtrans-61.8-46.2178.5-68167.8000110.2V256 L257 F264V256-I260 HydrophobicContact CG1-CD1 3.79Å; V256-I260 HydrophobicContact CG1-CG1 4.37Å; V256-I260 WeakPolarHBondContact O-CG1 3.42Å; V256-I260 PolarHBondContact O-N 3.3Å; L257-I260 PolarHBondContact O-N 2.8Å; I260-F264 VanDerWaalsContact O-CB 3.25Å; I260-F264 WeakPolarHBondContact O-CB 3.28Å; I260-F264 PolarHBondContact O-N 3.23Å
261I92.5Very high91.3Very high46 Ų4657.3 Ų57.324%0.23629%0.292CS..Hα-helixtrans-63.3-49.2178.6-66.1166000110.6I59 I63 T208 L257 C258 F263 F264 V265I59-I261 HydrophobicContact CG2-CD1 3.67Å; I63-I261 HydrophobicContact CD1-CD1 4.11Å; T208-I261 HydrophobicContact CG2-CG2 4.3Å; L257-I261 HydrophobicContact CD1-CD1 4.16Å; L257-I261 HydrophobicContact CG-CD1 3.91Å; L257-I261 VanDerWaalsContact O-CG1 3.28Å; L257-I261 WeakPolarHBondContact O-CG1 3.23Å; L257-I261 PolarHBondContact O-N 3.36Å; C258-I261 PolarHBondContact O-N 2.93Å; I261-F263 PolarHBondContact O-N 2.87Å; I261-F264 PolarHBondContact O-N 3.47Å; I261-V265 VanDerWaalsContact O-CG2 3.31Å; I261-V265 WeakPolarHBondContact O-CG2 3.35Å; I261-V265 PolarHBondContact O-N 3.44Å
262G92Very high90.1Very high0 Ų061.1 Ų61.10%031%0.311CS..Hα-helixtrans-60.3-46.1179.600000112.3C258 T259 F264 V265 V266C258-G262 PolarHBondContact O-N 3.48Å; T259-G262 PolarHBondContact O-N 2.73Å; G262-F264 PolarHBondContact O-N 3.04Å; G262-V265 PolarHBondContact O-N 3.35Å; G262-V266 WeakPolarHBondContact O-CG2 3.36Å; G262-V266 PolarHBondContact O-N 2.92Å; G262-V266 VanDerWaalsContact O-N 3.08Å
263F92.8Very high88.9Confident133 Ų13360.9 Ų60.958%0.58331%0.313SS*.Hα-helixtrans-61.6-44.8176.2179.5-99.1000111.9T259 I261 V265 V266 M267T259-F263 VanDerWaalsContact O-CB 3.22Å; T259-F263 WeakPolarHBondContact O-CB 3.21Å; T259-F263 PolarHBondContact O-N 3.42Å; I261-F263 PolarHBondContact O-N 2.87Å; F263-V265 VanDerWaalsContact C-N 3.34Å; F263-V265 PolarHBondContact O-N 3Å; F263-V266 PolarHBondContact O-N 3.17Å; F263-M267 HydrophobicContact CE1-CB 4.41Å; F263-M267 WeakPolarHBondContact O-CB 3.46Å; F263-M267 PolarHBondContact O-N 3.42Å
264F90.9Very high87.4Confident118 Ų11865.7 Ų65.752%0.51833%0.325SS..Hα-helixtrans-61.8-41.5178.8-175.8-105.5000112.1I260 I261 G262 M267 L268I260-F264 VanDerWaalsContact O-CB 3.25Å; I260-F264 WeakPolarHBondContact O-CB 3.28Å; I260-F264 PolarHBondContact O-N 3.23Å; I261-F264 PolarHBondContact O-N 3.47Å; G262-F264 PolarHBondContact O-N 3.04Å; F264-M267 PolarHBondContact O-N 2.85Å; F264-L268 HydrophobicContact CD1-CD1 3.76Å; F264-L268 HydrophobicContact CD1-CG 4.3Å; F264-L268 HydrophobicContact CE1-CD1 3.25Å; F264-L268 HydrophobicContact CE1-CG 4Å; F264-L268 HydrophobicContact CE2-CD1 4.38Å; F264-L268 HydrophobicContact CE2-CD2 4.46Å; F264-L268 HydrophobicContact CE2-CG 4.29Å; F264-L268 HydrophobicContact CZ-CD1 3.61Å; F264-L268 HydrophobicContact CZ-CD2 4.19Å; F264-L268 HydrophobicContact CZ-CG 3.98Å; F264-L268 WeakPolarHBondContact O-CB 3.49Å; F264-L268 WeakPolarHBondContact O-CG 3.48Å; F264-L268 PolarHBondContact O-N 3.2Å
265V88.7Confident85.8Confident21 Ų2172.3 Ų72.313%0.12735%0.354CS..Hα-helixtrans-62.8-46.4176.51710000111.4F196 I201 I261 G262 F263 Y269F196-V265 HydrophobicContact CE1-CG1 4.43Å; F196-V265 HydrophobicContact CE1-CG2 4.19Å; F196-V265 HydrophobicContact CZ-CG2 4.25Å; I201-V265 HydrophobicContact CG2-CG1 3.68Å; I261-V265 VanDerWaalsContact O-CG2 3.31Å; I261-V265 WeakPolarHBondContact O-CG2 3.35Å; I261-V265 PolarHBondContact O-N 3.44Å; G262-V265 PolarHBondContact O-N 3.35Å; F263-V265 VanDerWaalsContact C-N 3.34Å; F263-V265 PolarHBondContact O-N 3Å; V265-Y269 PolarHBondContact O-N 3.12Å; V265-Y269 VanDerWaalsContact O-N 3.11Å
266V88.5Confident84.2Confident18 Ų1873.2 Ų73.211%0.10936%0.359CS..Hα-helixtrans-65-42.3178.3173.50000110.9Y206 M209 G262 F263 Y269 F270Y206-V266 HydrophobicContact CD1-CG2 4.23Å; Y206-V266 HydrophobicContact CE1-CG2 4.11Å; M209-V266 HydrophobicContact SD-CG2 4.25Å; G262-V266 WeakPolarHBondContact O-CG2 3.36Å; G262-V266 PolarHBondContact O-N 2.92Å; G262-V266 VanDerWaalsContact O-N 3.08Å; F263-V266 PolarHBondContact O-N 3.17Å; V266-Y269 WeakPolarHBondContact O-CB 3.14Å; V266-Y269 PolarHBondContact O-N 2.91Å; V266-F270 HydrophobicContact CG1-CD2 3.87Å; V266-F270 HydrophobicContact CG1-CE2 3.57Å; V266-F270 WeakPolarHBondContact O-CD2 3.31Å; V266-F270 PolarHBondContact O-N 3.42Å
267M88Confident82.5Confident81 Ų8176.2 Ų76.240%0.39937%0.367SS..Hα-helixtrans-64.4-43.5179.1-175.1-100.2-170.100112F263 F264 Y269 F270 L271F263-M267 HydrophobicContact CE1-CB 4.41Å; F263-M267 WeakPolarHBondContact O-CB 3.46Å; F263-M267 PolarHBondContact O-N 3.42Å; F264-M267 PolarHBondContact O-N 2.85Å; M267-Y269 VanDerWaalsContact C-N 3.3Å; M267-Y269 PolarHBondContact O-N 3.22Å; M267-F270 PolarHBondContact O-N 3Å; M267-L271 HydrophobicContact CE-CD1 3.09Å; M267-L271 HydrophobicContact CG-CD1 3.86Å; M267-L271 WeakPolarHBondContact O-CD1 3.38Å; M267-L271 PolarHBondContact O-N 2.84Å; M267-L271 VanDerWaalsContact O-N 3.09Å; M267-L271 HydrophobicContact SD-CD1 3.24Å; M267-L271 WeakPolarHBondContact SD-CD1 3.44Å
268L84.3Confident80.8Confident52 Ų5275.6 Ų75.627%0.27237%0.37SS..Hα-helixtrans-61.5-37.7174.2-77.6-178.8000112.7F264 F270 L271 M272 V276F264-L268 HydrophobicContact CD1-CD1 3.76Å; F264-L268 HydrophobicContact CD1-CG 4.3Å; F264-L268 HydrophobicContact CE1-CD1 3.25Å; F264-L268 HydrophobicContact CE1-CG 4Å; F264-L268 HydrophobicContact CE2-CD1 4.38Å; F264-L268 HydrophobicContact CE2-CD2 4.46Å; F264-L268 HydrophobicContact CE2-CG 4.29Å; F264-L268 HydrophobicContact CZ-CD1 3.61Å; F264-L268 HydrophobicContact CZ-CD2 4.19Å; F264-L268 HydrophobicContact CZ-CG 3.98Å; F264-L268 WeakPolarHBondContact O-CB 3.49Å; F264-L268 WeakPolarHBondContact O-CG 3.48Å; F264-L268 PolarHBondContact O-N 3.2Å; L268-F270 VanDerWaalsContact C-N 3.35Å; L268-L271 PolarHBondContact O-N 3.5Å; L268-M272 PolarHBondContact O-N 3.3Å; L268-V276 HydrophobicContact CB-CG2 4.16Å
269Y84Confident79.2Confident80 Ų8078.8 Ų78.831%0.31440%0.397SS..Hα-helixtrans-61.6-42.6175.8176.6-104000112.1V202 V265 V266 M267 P273V202-Y269 HydrophobicContact CG1-CD1 4.32Å; V202-Y269 HydrophobicContact CG1-CE1 4.38Å; V202-Y269 HydrophobicContact CG2-CD1 3.64Å; V202-Y269 HydrophobicContact CG2-CD2 3.24Å; V202-Y269 HydrophobicContact CG2-CE1 3.62Å; V202-Y269 HydrophobicContact CG2-CE2 3.21Å; V202-Y269 HydrophobicContact CG2-CG 3.45Å; V202-Y269 VanDerWaalsContact CG2-CG 3.45Å; V265-Y269 PolarHBondContact O-N 3.12Å; V265-Y269 VanDerWaalsContact O-N 3.11Å; V266-Y269 WeakPolarHBondContact O-CB 3.14Å; V266-Y269 PolarHBondContact O-N 2.91Å; M267-Y269 VanDerWaalsContact C-N 3.3Å; M267-Y269 PolarHBondContact O-N 3.22Å; Y269-P273 WeakPolarHBondContact O-CD 3.24Å
270F81.2Confident77.5Confident144 Ų14479.4 Ų79.463%0.63240%0.395SS*.Hα-helixtrans-70.2-33.6178.3-78-66.8000113.5V266 M267 L268V266-F270 HydrophobicContact CG1-CD2 3.87Å; V266-F270 HydrophobicContact CG1-CE2 3.57Å; V266-F270 WeakPolarHBondContact O-CD2 3.31Å; V266-F270 PolarHBondContact O-N 3.42Å; M267-F270 PolarHBondContact O-N 3Å; L268-F270 VanDerWaalsContact C-N 3.35Å
271L81.3Confident75.6Confident107 Ų10777.1 Ų77.156%0.5639%0.388SS*.Hα-helixtrans-83.6-36.1-176.2-77.7154.9000114.1M267 L268M267-L271 HydrophobicContact CE-CD1 3.09Å; M267-L271 HydrophobicContact CG-CD1 3.86Å; M267-L271 WeakPolarHBondContact O-CD1 3.38Å; M267-L271 PolarHBondContact O-N 2.84Å; M267-L271 VanDerWaalsContact O-N 3.09Å; M267-L271 HydrophobicContact SD-CD1 3.24Å; M267-L271 WeakPolarHBondContact SD-CD1 3.44Å; L268-L271 PolarHBondContact O-N 3.5Å
272M68.4Low73.5Confident81 Ų8180.4 Ų80.440%0.39941%0.406SS..  trans-144.166.8-175.9-62.8-165.5-60.700112L268 E274 K275 V276L268-M272 PolarHBondContact O-N 3.3Å; M272-E274 VanDerWaalsContact C-N 3.27Å; M272-E274 PolarHBondContact O-N 3.44Å; M272-K275 HydrophobicContact CB-CB 4.14Å; M272-K275 HydrophobicContact CE-CD 4.48Å; M272-K275 PolarHBondContact O-N 2.88Å; M272-K275 HydrophobicContact SD-CD 3.78Å; M272-K275 HydrophobicContact SD-CG 4.41Å; M272-V276 WeakPolarHBondContact O-CB 3.33Å; M272-V276 VanDerWaalsContact O-CG2 3.29Å; M272-V276 WeakPolarHBondContact O-CG2 3.41Å; M272-V276 PolarHBondContact O-N 3.24Å
273P70.8Confident71.5Confident55 Ų5583 Ų8336%0.35742%0.416SS..Hα-helixtrans-59.1-38.8-177.423.7-33.4000112.3Y269 K277Y269-P273 WeakPolarHBondContact O-CD 3.24Å; P273-K277 WeakPolarHBondContact O-CB 3.28Å; P273-K277 WeakPolarHBondContact O-CG 3.45Å; P273-K277 PolarHBondContact O-N 3.32Å
274E63.4Low69.2Low160 Ų16083.4 Ų83.475%0.74842%0.417SS*.Hα-helixtrans-65.3-45.6178.7-68.3-80.9140.500112.5M272 A278M272-E274 VanDerWaalsContact C-N 3.27Å; M272-E274 PolarHBondContact O-N 3.44Å; E274-A278 VanDerWaalsContact O-CB 3.3Å; E274-A278 WeakPolarHBondContact O-CB 3.19Å; E274-A278 PolarHBondContact O-N 3.5Å
275K61.2Low66.9Low142 Ų14280.7 Ų80.762%0.61741%0.408SS*.Hα-helixtrans-76.9-28.3-178.1-60-163.9-176173.90113.1M272 A279M272-K275 HydrophobicContact CB-CB 4.14Å; M272-K275 HydrophobicContact CE-CD 4.48Å; M272-K275 PolarHBondContact O-N 2.88Å; M272-K275 HydrophobicContact SD-CD 3.78Å; M272-K275 HydrophobicContact SD-CG 4.41Å; K275-A279 WeakPolarHBondContact O-CB 3.3Å; K275-A279 PolarHBondContact O-N 3.11Å
276V64.1Low64.8Low19 Ų1982.6 Ų82.612%0.11542%0.422CS..Hα-helixtrans-72.6-44174.9173.20000110.2I201 L268 M272 A279 F280I201-V276 HydrophobicContact CD1-CG1 3.72Å; L268-V276 HydrophobicContact CB-CG2 4.16Å; M272-V276 WeakPolarHBondContact O-CB 3.33Å; M272-V276 VanDerWaalsContact O-CG2 3.29Å; M272-V276 WeakPolarHBondContact O-CG2 3.41Å; M272-V276 PolarHBondContact O-N 3.24Å; V276-A279 PolarHBondContact O-N 3.27Å; V276-F280 HydrophobicContact CG1-CD2 4.36Å; V276-F280 WeakPolarHBondContact O-CD2 3.29Å; V276-F280 PolarHBondContact O-N 3.01Å
277K60.7Low62.9Low127 Ų12789.5 Ų89.555%0.55245%0.448SS*.Hα-helixtrans-59.7-47.7171.7-75.5-179.6-179.7-1760111P273 F280 S281P273-K277 WeakPolarHBondContact O-CB 3.28Å; P273-K277 WeakPolarHBondContact O-CG 3.45Å; P273-K277 PolarHBondContact O-N 3.32Å; K277-F280 PolarHBondContact O-N 3.08Å; K277-S281 VanDerWaalsContact O-CB 3.32Å; K277-S281 WeakPolarHBondContact O-CB 3.49Å; K277-S281 PolarHBondContact O-N 3.15Å; K277-S281 PolarHBondContact O-OG 3.21Å; K277-S281 VanDerWaalsContact O-OG 3.13Å
278A59.1Low60.8Low45 Ų4592.2 Ų92.237%0.37246%0.459SS..Hα-helixtrans-61.9-47.1177.700000113E274 F280 S281 L282E274-A278 VanDerWaalsContact O-CB 3.3Å; E274-A278 WeakPolarHBondContact O-CB 3.19Å; E274-A278 PolarHBondContact O-N 3.5Å; A278-F280 PolarHBondContact O-N 3.37Å; A278-S281 WeakPolarHBondContact CA-OG 3.41Å; A278-S281 PolarHBondContact O-N 3.13Å; A278-S281 PolarHBondContact O-OG 3.15Å; A278-L282 VanDerWaalsContact O-CB 3.23Å; A278-L282 WeakPolarHBondContact O-CB 3.32Å; A278-L282 PolarHBondContact O-N 3.04Å
279A60.8Low58.8Low68 Ų6895.1 Ų95.156%0.56248%0.475SS*.Hα-helixtrans-66.1-23.1-177.900000114K275 V276K275-A279 WeakPolarHBondContact O-CB 3.3Å; K275-A279 PolarHBondContact O-N 3.11Å; V276-A279 PolarHBondContact O-N 3.27Å
280F58.8Low56.8Low67 Ų6796.6 Ų96.629%0.29449%0.485SS..Hα-helixtrans-95.6-32175.6-83.9-98.9000113I201 V276 K277 A278 R283I201-F280 HydrophobicContact CD1-CB 3.61Å; I201-F280 HydrophobicContact CD1-CD1 3.8Å; I201-F280 HydrophobicContact CD1-CD2 3.35Å; I201-F280 HydrophobicContact CD1-CE1 4.24Å; I201-F280 HydrophobicContact CD1-CE2 3.84Å; I201-F280 HydrophobicContact CD1-CG 3.31Å; I201-F280 HydrophobicContact CD1-CZ 4.26Å; I201-F280 HydrophobicContact CG1-CD1 4.06Å; I201-F280 HydrophobicContact CG1-CD2 4.34Å; I201-F280 HydrophobicContact CG1-CE1 4.26Å; I201-F280 HydrophobicContact CG1-CG 4.1Å; I201-F280 HydrophobicContact CG1-CZ 4.48Å; V276-F280 HydrophobicContact CG1-CD2 4.36Å; V276-F280 WeakPolarHBondContact O-CD2 3.29Å; V276-F280 PolarHBondContact O-N 3.01Å; K277-F280 PolarHBondContact O-N 3.08Å; A278-F280 PolarHBondContact O-N 3.37Å; F280-R283 WeakPolarHBondContact O-CB 3.43Å; F280-R283 PolarHBondContact O-N 3.3Å
281S55.2Low54.8Low55 Ų5597.3 Ų97.339%0.38550%0.495SS..Hα-helixtrans-67.8-40.1170.668.30000111.2K277 A278 R283 F284 D285K277-S281 VanDerWaalsContact O-CB 3.32Å; K277-S281 WeakPolarHBondContact O-CB 3.49Å; K277-S281 PolarHBondContact O-N 3.15Å; K277-S281 PolarHBondContact O-OG 3.21Å; K277-S281 VanDerWaalsContact O-OG 3.13Å; A278-S281 WeakPolarHBondContact CA-OG 3.41Å; A278-S281 PolarHBondContact O-N 3.13Å; A278-S281 PolarHBondContact O-OG 3.15Å; S281-R283 PolarHBondContact O-N 3.32Å; S281-R283 VanDerWaalsContact O-N 3.11Å; S281-F284 CarbonylContact O-C 3.2Å; S281-F284 WeakPolarHBondContact O-CA 3.37Å; S281-F284 VanDerWaalsContact O-CB 3.28Å; S281-F284 WeakPolarHBondContact O-CB 3.48Å; S281-F284 PolarHBondContact O-N 3.47Å; S281-D285 PolarHBondContact O-N 3.45Å
282L50.2Low52.8Low116 Ų116100.6 Ų100.661%0.60751%0.508SS*.Hα-helixtrans-63-20.8174.3-132.4142.6000112.7A278 F284 S286A278-L282 VanDerWaalsContact O-CB 3.23Å; A278-L282 WeakPolarHBondContact O-CB 3.32Å; A278-L282 PolarHBondContact O-N 3.04Å; L282-F284 VanDerWaalsContact C-N 3.35Å; L282-S286 WeakPolarHBondContact O-CB 3.42Å; L282-S286 PolarHBondContact O-N 3.4Å; L282-S286 PolarHBondContact O-OG 3.24Å; L282-S286 VanDerWaalsContact O-OG 3.05Å
283R50Low51.4Low54 Ų54104.1 Ų104.120%0.20453%0.528CS..Hα-helixtrans-75.9-24.3170.8176.5171.6-76.6169.7-1.3112.1F280 S281 S286 Y287F280-R283 WeakPolarHBondContact O-CB 3.43Å; F280-R283 PolarHBondContact O-N 3.3Å; S281-R283 PolarHBondContact O-N 3.32Å; S281-R283 VanDerWaalsContact O-N 3.11Å; R283-S286 PolarHBondContact O-OG 3.41Å; R283-Y287 VanDerWaalsContact O-CD2 3.23Å; R283-Y287 WeakPolarHBondContact O-CD2 3.49Å; R283-Y287 WeakPolarHBondContact O-CE2 3.33Å
284F44.6Very low49.9Very low141 Ų141111.1 Ų111.162%0.61855%0.553SS**Hα-helixtrans-82.1-47.2171.5-160.1-94.7000110S281 L282 S286 Y287S281-F284 CarbonylContact O-C 3.2Å; S281-F284 WeakPolarHBondContact O-CA 3.37Å; S281-F284 VanDerWaalsContact O-CB 3.28Å; S281-F284 WeakPolarHBondContact O-CB 3.48Å; S281-F284 PolarHBondContact O-N 3.47Å; L282-F284 VanDerWaalsContact C-N 3.35Å; F284-S286 PolarHBondContact O-N 3.09Å; F284-Y287 PolarHBondContact O-N 3.26Å
285D41Very low48.3Very low62 Ų62109.4 Ų109.433%0.33256%0.559SS.*Hα-helixtrans-70.2-28.2-178.1-55.4-23.1000112.8S281 Y287 E288 D289S281-D285 PolarHBondContact O-N 3.45Å; D285-Y287 PolarHBondContact O-N 3.01Å; D285-E288 PolarHBondContact O-N 2.95Å; D285-D289 WeakPolarHBondContact O-CB 3.49Å; D285-D289 PolarHBondContact O-N 3.26Å
286S44.4Very low46.9Very low60 Ų60108.6 Ų108.642%0.4257%0.569SS.*THydrogen-bonded Turntrans-64.8-9174650000115L282 R283 F284L282-S286 WeakPolarHBondContact O-CB 3.42Å; L282-S286 PolarHBondContact O-N 3.4Å; L282-S286 PolarHBondContact O-OG 3.24Å; L282-S286 VanDerWaalsContact O-OG 3.05Å; R283-S286 PolarHBondContact O-OG 3.41Å; F284-S286 PolarHBondContact O-N 3.09Å
287Y49Very low45.9Very low163 Ų163112.7 Ų112.764%0.63960%0.597SS**THydrogen-bonded Turntrans-92.8-17.3169.7-74.6-81.2000113R283 F284 D285R283-Y287 VanDerWaalsContact O-CD2 3.23Å; R283-Y287 WeakPolarHBondContact O-CD2 3.49Å; R283-Y287 WeakPolarHBondContact O-CE2 3.33Å; F284-Y287 PolarHBondContact O-N 3.26Å; D285-Y287 PolarHBondContact O-N 3.01Å
288E43.9Very low44.6Very low138 Ų138115.6 Ų115.665%0.64561%0.612SS**THydrogen-bonded Turntrans-104.6-22.2-179.5-64-167.2160.600112.8D285D285-E288 PolarHBondContact O-N 2.95Å
289D43Very low43.3Very low114 Ų114116.6 Ų116.661%0.6163%0.627SS**THydrogen-bonded Turntrans-97.69.6-168.3-69.8-19.3000116.6D285D285-D289 WeakPolarHBondContact O-CB 3.49Å; D285-D289 PolarHBondContact O-N 3.26Å
290E41.1Very low41.9Very low110 Ų110124.4 Ų124.451%0.51464%0.643SS.*THydrogen-bonded Turntrans-96.40.9176.3-76.3-162.6-153.600115.3R46R46-E290 VanDerWaalsContact CD-OE1 3.31Å; R46-E290 WeakPolarHBondContact CD-OE1 3.19Å; R46-E290 WeakPolarHBondContact CD-OE2 3.42Å; R46-E290 IonicContact CZ-OE2 3.92Å; R46-E290 IonicContact NE-OE2 3.01Å; R46-E290 PolarHBondContact NE-OE2 2.9Å; R46-E290 IonicContact NH1-OE2 2.6Å; R46-E290 PolarHBondContact NH1-OE2 3.06Å
291D40.3Very low40.9Very low159 Ų159129.4 Ų129.485%0.8567%0.672SS**SBendtrans-111-4.6178.1-73.8-26.7000115.3
292E39.2Very low39.8Very low177 Ų177132.7 Ų132.783%0.82769%0.685SS**  trans-124.863.6178-76.2-164.4162.400113.3
293D39.6Very low39.5Very low154 Ų154131.8 Ų131.882%0.82469%0.689SS**  trans-145.879.3157.7-98.9-27.3000111.5
294K37.2Very low39.1Very low202 Ų202134.3 Ų134.388%0.87871%0.71SS**SBendtrans-162.3113.5148-106158.6-168.8169.50111.8
295S29.8Very low38.9Very low124 Ų124136.9 Ų136.987%0.86772%0.721SS**  trans86.2110.7161.9750000119.3
296C33.1Very low38.9Very low125 Ų125141.5 Ų141.585%0.84575%0.745SS**  trans-59.4174.5159.6-52.50000112.1
297P42.4Very low38.7Very low106 Ų106146 Ų14669%0.68877%0.765SS**  cis-144.117718.139.4-17.2000117.6
298E33.2Very low38Very low188 Ų188141.7 Ų141.788%0.87977%0.769SS**  trans54.6120152-83.8168.4149.200121.8
299G32.1Very low37.6Very low65 Ų65144.3 Ų144.367%0.6778%0.782SS**  trans92114.7137.200000116.7
300Y32.3Very low36.9Very low232 Ų232147.5 Ų147.591%0.9180%0.795SS**  171.386.5112.6-91.2-72.7000108.4N302Y300-N302 PolarHBondContact O-N 3.18Å
301L36.5Very low36.4Very low172 Ų172151.4 Ų151.490%0.90181%0.813SS**  trans-76.4110.1165.8-138.7149.8000106.7S303L301-S303 PolarHBondContact O-N 3.07Å; L301-S303 VanDerWaalsContact O-N 3.07Å
302N32.5Very low35.9Very low125 Ų125150.8 Ų150.867%0.66881%0.809SS**  trans-73.4100-171.8-141.8-12.6000109.6Y300 V304Y300-N302 PolarHBondContact O-N 3.18Å; N302-V304 PolarHBondContact O-N 2.99Å
303S44.4Very low35.5Very low96 Ų96148.4 Ų148.467%0.67181%0.808SS**THydrogen-bonded Turntrans-72.714.9-175.860.30000114.7L301L301-S303 PolarHBondContact O-N 3.07Å; L301-S303 VanDerWaalsContact O-N 3.07Å
304V41.6Very low35.2Very low107 Ų107149 Ų14965%0.64881%0.811SS**THydrogen-bonded Turntrans-85.6-18-176177.50000112.5N302N302-V304 PolarHBondContact O-N 2.99Å
305F39.9Very low35.3Very low195 Ų195144.9 Ų144.986%0.85580%0.803SS**THydrogen-bonded Turntrans-90.71.1-179.8-85.7-80.6000115.4
306L42Very low35.8Very low159 Ų159144.5 Ų144.583%0.83280%0.797SS**THydrogen-bonded Turntrans-106.9-1.1179.1-88.7163.5000114.6
307N38.4Very low35.7Very low156 Ų156147.5 Ų147.583%0.83480%0.796SS**SBendtrans-118.791.1178.9-91.4-7.7000111.7
308G35.9Very low35.3Very low72 Ų72148 Ų14874%0.74280%0.797SS**SBendtrans133.1100.7172.200000109
309E33.8Very low35.2Very low193 Ų193145.2 Ų145.290%0.90279%0.793SS**  cis-150.8128.235.1-65.6169.3135.200109.2
310M29.8Very low35.8Very low180 Ų180147.4 Ų147.489%0.88780%0.795SS**  trans-151.579.1145.3-156.7176.2-167.400108.3L312M310-L312 PolarHBondContact O-N 3.19Å
311H29.4Very low35.9Very low193 Ų193143.2 Ų143.289%0.89479%0.793SS**  trans-72.9100.4162.2-88.5-70.3000108.4
312L29.8Very low35.9Very low146 Ų146143.6 Ų143.676%0.76481%0.811SS**  trans-126.6126.1150.4-135.597.4000107.2M310M310-L312 PolarHBondContact O-N 3.19Å
313P32Very low36.1Very low126 Ų126144.6 Ų144.682%0.81882%0.818SS**PPolyproline II helixtrans-76.7149.4-165.928.5-31.9000113.7
314L32.6Very low35.7Very low166 Ų166147.1 Ų147.187%0.86983%0.826SS**PPolyproline II helixtrans-56.9138.8-178.2-151.682.5000114.3
315T40.5Very low35.3Very low117 Ų117149.3 Ų149.372%0.71884%0.836SS**PPolyproline II helixtrans-53.6170.9162.853.80000114
316P38.6Very low35.1Very low115 Ų115146.6 Ų146.675%0.74783%0.834SS**  -149.5144.3117.334-15.4000118.6
317K31.5Very low34.6Very low188 Ų188145.9 Ų145.982%0.81783%0.834SS**  trans71117.2133.6-77.5-171.1170.3174.80121.8
318V33.5Very low34.4Very low118 Ų118145.2 Ų145.272%0.71583%0.834SS**  86.9127.698.1173.60000111
319T31.6Very low34.3Very low129 Ų129150.4 Ų150.479%0.79184%0.841SS**  cis-167.2173.539.53.90000109.8
320P45.5Very low34.3Very low110 Ų110147.2 Ų147.271%0.71484%0.836SS**  trans-97.4-177.8-176.938.3-29.7000115.1
321V35.1Very low34.7Very low144 Ų144144.4 Ų144.487%0.87383%0.832SS**  trans84.1128.1174.2-167.10000112.6
322S35.9Very low35.1Very low181 Ų181140 Ų140100%1.26683%0.827SS**  cis-146.1022.951.50000111.2

Retrieved 322 of 322 residues in 157.4 ms (Link to these results)