A0A077ZK55_TRITR Loading...

HTH 19 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.3Very low59.5Low176 Ų17658.9 Ų58.987%0.86729%0.289SS*.  0147.60-151.2158.671.500108.8S133M1-S133 WeakPolarHBondContact CE-O 3.34Å
2K44.3Very low61.7Low185 Ų18564.3 Ų64.380%0.80430%0.303SS*.  trans-91.4115.4176.3-154.2179.5-172.6-173.20107.8Q4K2-Q4 WeakPolarHBondContact O-CG 3.47Å; K2-Q4 PolarHBondContact O-N 2.99Å
3V47.5Very low63.7Low56 Ų5662.8 Ų62.834%0.33930%0.299SS..  trans-62.7108.8-177.6175.30000109.4A5 V6 Q53V3-A5 WeakPolarHBondContact CG1-O 3.32Å; V3-V6 HydrophobicContact CG1-CG2 4.24Å; V3-Q53 WeakPolarHBondContact O-CG 3.13Å; V3-Q53 PolarHBondContact O-NE2 3.29Å
4Q62.1Low65.3Low137 Ų13761.2 Ų61.264%0.6430%0.301SS*.  trans-90.8-15.2-176.3-67.7-172.4-400113.9K2 R54K2-Q4 WeakPolarHBondContact O-CG 3.47Å; K2-Q4 PolarHBondContact O-N 2.99Å; Q4-R54 PolarHBondContact O-N 3.42Å
5A52.9Low66.6Low15 Ų1564.9 Ų64.912%0.12432%0.321CS..EExtended strand (participates in β ladder)trans-140.5146.7178.500000110.5V3 R54 I56 A132V3-A5 WeakPolarHBondContact CG1-O 3.32Å; A5-R54 CarbonylContact C-O 3.58Å; A5-R54 VanDerWaalsContact CA-O 3.22Å; A5-R54 WeakPolarHBondContact CA-O 3.42Å; A5-I56 HydrophobicContact CB-CD1 4.01Å; A5-I56 HydrophobicContact CB-CG1 4.41Å; A5-A132 HydrophobicContact CB-CB 4.5Å
6V55.5Low67.6Low11 Ų1160.9 Ų60.97%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-128.5122.2177.6177.80000107.9V3 V48 R54 V55 I56 I84 V129V3-V6 HydrophobicContact CG1-CG2 4.24Å; V6-V48 HydrophobicContact CB-CG1 4.47Å; V6-V48 HydrophobicContact CG2-CG1 4.12Å; V6-R54 PolarHBondContact N-O 3.33Å; V6-V55 WeakPolarHBondContact O-CA 3.18Å; V6-I56 PolarHBondContact O-N 2.94Å; V6-I84 HydrophobicContact CG1-CD1 4.01Å; V6-V129 HydrophobicContact CG1-CB 4.42Å; V6-V129 HydrophobicContact CG1-CG1 3.92Å; V6-V129 HydrophobicContact CG1-CG2 3.7Å
7G55.8Low68.1Low7 Ų757.3 Ų57.37%0.07228%0.283CS..EExtended strand (participates in β ladder)trans-70139.2168.700000110.8I56 V129G7-I56 CarbonylContact C-O 3.47Å; G7-I56 WeakPolarHBondContact CA-O 3.21Å; G7-V129 WeakPolarHBondContact O-CA 3.33Å
8L65.8Low68.7Low3 Ų359.2 Ų59.22%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-133.7116.9173.9172.363.2000108.4W10 A41 I45 V55 I56 K57 V58L8-W10 HydrophobicContact CD2-CE3 4.18Å; L8-W10 HydrophobicContact CD2-CZ3 4.45Å; L8-W10 PolarHBondContact O-N 3.47Å; L8-A41 HydrophobicContact CD2-CB 4.47Å; L8-I45 HydrophobicContact CD2-CD1 3.96Å; L8-I45 HydrophobicContact CD2-CG1 3.89Å; L8-V55 HydrophobicContact CB-CG1 3.61Å; L8-V55 HydrophobicContact CD2-CG1 4.02Å; L8-V55 HydrophobicContact CG-CG1 4.48Å; L8-I56 PolarHBondContact N-O 3.38Å; L8-K57 WeakPolarHBondContact O-CA 3.22Å; L8-V58 PolarHBondContact O-N 3.44Å
9F70.9Confident69Low35 Ų3560.5 Ų60.515%0.15430%0.296CS..EExtended strand (participates in β ladder)trans-57.7125.9170.5-166.2-82000109.6F11 L20 V58 A60 F65F9-F11 HydrophobicContact CD1-CD1 4.29Å; F9-F11 HydrophobicContact CD1-CE1 4.03Å; F9-F11 HydrophobicContact CD1-CE2 4.28Å; F9-F11 HydrophobicContact CD1-CZ 4.03Å; F9-F11 AromaticContact CE1-CD1 3.78Å; F9-F11 HydrophobicContact CE1-CD1 3.78Å; F9-F11 AromaticContact CE1-CE1 3.64Å; F9-F11 HydrophobicContact CE1-CE1 3.64Å; F9-F11 HydrophobicContact CE1-CG 4.35Å; F9-F11 HydrophobicContact CE1-CZ 4.12Å; F9-L20 HydrophobicContact CE1-CD1 3.81Å; F9-L20 HydrophobicContact CZ-CD1 3.73Å; F9-V58 CarbonylContact C-O 3.59Å; F9-V58 WeakPolarHBondContact CA-O 3.35Å; F9-A60 HydrophobicContact CE2-CB 3.78Å; F9-A60 HydrophobicContact CZ-CB 4.16Å; F9-F65 HydrophobicContact CE2-CD2 4.17Å; F9-F65 HydrophobicContact CE2-CE2 4.35Å
10W82.6Confident68.9Low15 Ų1557.5 Ų57.56%0.05728%0.281CS..  trans-122.4114.5-172.1-172.3-93.9000110.1L8 R12 W37 K38 A41 E42 I45 K57 V58 E59L8-W10 HydrophobicContact CD2-CE3 4.18Å; L8-W10 HydrophobicContact CD2-CZ3 4.45Å; L8-W10 PolarHBondContact O-N 3.47Å; W10-R12 PolarHBondContact O-N 2.91Å; W10-W37 AromaticContact CD2-CH2 3.81Å; W10-W37 HydrophobicContact CD2-CH2 3.81Å; W10-W37 AromaticContact CE3-CH2 3.69Å; W10-W37 HydrophobicContact CE3-CH2 3.69Å; W10-W37 HydrophobicContact CE3-CZ2 4.25Å; W10-W37 HydrophobicContact CG-CH2 4.3Å; W10-W37 HydrophobicContact CH2-CH2 4.39Å; W10-W37 AromaticContact CZ3-CH2 4Å; W10-W37 HydrophobicContact CZ3-CH2 4Å; W10-K38 HydrophobicContact CH2-CG 4.34Å; W10-K38 HydrophobicContact CZ2-CG 4.46Å; W10-A41 HydrophobicContact CZ3-CB 3.84Å; W10-E42 HydrophobicContact CH2-CG 4Å; W10-I45 HydrophobicContact CE3-CD1 4.29Å; W10-I45 HydrophobicContact CH2-CD1 4.38Å; W10-I45 HydrophobicContact CZ3-CD1 3.65Å; W10-K57 HydrophobicContact CB-CB 3.88Å; W10-K57 HydrophobicContact CB-CG 4.27Å; W10-K57 HydrophobicContact CD2-CB 4.45Å; W10-K57 HydrophobicContact CD2-CD 3.56Å; W10-K57 HydrophobicContact CD2-CG 3.97Å; W10-K57 HydrophobicContact CE3-CD 3.77Å; W10-K57 HydrophobicContact CE3-CG 3.92Å; W10-K57 HydrophobicContact CG-CB 4.05Å; W10-K57 HydrophobicContact CG-CD 3.91Å; W10-K57 HydrophobicContact CG-CG 4.1Å; W10-K57 HydrophobicContact CZ2-CD 4.39Å; W10-K57 HydrophobicContact CZ3-CD 4.28Å; W10-V58 PolarHBondContact N-O 3.24Å; W10-E59 HydrophobicContact CB-CG 4.23Å
11F80.7Confident69Low8 Ų856.4 Ų56.44%0.03528%0.276CS..  trans-75120.6173.3-53.5-87.1000109.5F9 D13 Q16 Y17 L20 F24 L30 Y34 W37F9-F11 HydrophobicContact CD1-CD1 4.29Å; F9-F11 HydrophobicContact CD1-CE1 4.03Å; F9-F11 HydrophobicContact CD1-CE2 4.28Å; F9-F11 HydrophobicContact CD1-CZ 4.03Å; F9-F11 AromaticContact CE1-CD1 3.78Å; F9-F11 HydrophobicContact CE1-CD1 3.78Å; F9-F11 AromaticContact CE1-CE1 3.64Å; F9-F11 HydrophobicContact CE1-CE1 3.64Å; F9-F11 HydrophobicContact CE1-CG 4.35Å; F9-F11 HydrophobicContact CE1-CZ 4.12Å; F11-D13 VanDerWaalsContact C-N 3.3Å; F11-D13 PolarHBondContact O-N 3.37Å; F11-Q16 HydrophobicContact CD1-CG 4.41Å; F11-Y17 HydrophobicContact CB-CD2 4.23Å; F11-Y17 HydrophobicContact CD1-CD2 4.06Å; F11-Y17 AromaticContact CD2-CD2 3.51Å; F11-Y17 HydrophobicContact CD2-CD2 3.51Å; F11-Y17 HydrophobicContact CD2-CE2 4Å; F11-Y17 HydrophobicContact CE1-CD2 4.27Å; F11-Y17 AromaticContact CE2-CD2 3.75Å; F11-Y17 HydrophobicContact CE2-CD2 3.75Å; F11-Y17 AromaticContact CE2-CE2 3.87Å; F11-Y17 HydrophobicContact CE2-CE2 3.87Å; F11-Y17 AromaticContact CG-CD2 3.68Å; F11-Y17 HydrophobicContact CG-CD2 3.68Å; F11-Y17 HydrophobicContact CG-CG 4.49Å; F11-Y17 HydrophobicContact CZ-CD2 4.13Å; F11-Y17 HydrophobicContact CZ-CE2 4.34Å; F11-L20 HydrophobicContact CD1-CD1 3.94Å; F11-L20 HydrophobicContact CE1-CB 3.96Å; F11-L20 HydrophobicContact CE1-CD1 3.7Å; F11-L20 HydrophobicContact CE1-CG 4.49Å; F11-F24 HydrophobicContact CE1-CE2 4.12Å; F11-F24 HydrophobicContact CE1-CZ 4.47Å; F11-F24 HydrophobicContact CZ-CE2 4.02Å; F11-L30 HydrophobicContact CZ-CD1 4.4Å; F11-Y34 HydrophobicContact CB-CD2 4.35Å; F11-Y34 HydrophobicContact CB-CE2 3.99Å; F11-Y34 WeakPolarHBondContact O-CE2 3.36Å; F11-Y34 PolarHBondContact O-OH 3.43Å; F11-W37 HydrophobicContact CB-CE3 4.48Å; F11-W37 HydrophobicContact CB-CH2 4.19Å; F11-W37 HydrophobicContact CB-CZ3 4.02Å; F11-W37 AromaticContact CD2-CD2 3.73Å; F11-W37 HydrophobicContact CD2-CD2 3.73Å; F11-W37 AromaticContact CD2-CE2 3.46Å; F11-W37 VanDerWaalsContact CD2-CE2 3.46Å; F11-W37 AromaticContact CD2-CE3 3.93Å; F11-W37 HydrophobicContact CD2-CE3 3.93Å; F11-W37 AromaticContact CD2-CH2 3.73Å; F11-W37 HydrophobicContact CD2-CH2 3.73Å; F11-W37 AromaticContact CD2-CZ2 3.48Å; F11-W37 HydrophobicContact CD2-CZ2 3.48Å; F11-W37 VanDerWaalsContact CD2-CZ2 3.48Å; F11-W37 AromaticContact CD2-CZ3 3.93Å; F11-W37 HydrophobicContact CD2-CZ3 3.93Å; F11-W37 AromaticContact CD2-NE1 3.99Å; F11-W37 HydrophobicContact CE2-CD2 4.18Å; F11-W37 AromaticContact CE2-CE2 3.74Å; F11-W37 HydrophobicContact CE2-CZ2 4.03Å; F11-W37 AromaticContact CE2-NE1 3.77Å; F11-W37 HydrophobicContact CG-CH2 4.45Å
12R85.5Confident70.6Confident123 Ų12354.8 Ų54.846%0.46427%0.27SS..SBendtrans-56.1-44.8-179.5-179.3-17862.1-123.5-7.4111.9W10 Y34W10-R12 PolarHBondContact O-N 2.91Å; R12-Y34 PolarHBondContact O-OH 3.16Å
13D88Confident71.5Confident46 Ų4648.9 Ų48.925%0.24625%0.247CC..SBendtrans-152.5176-173.559.463.2000111.7F11 I15 Q16 Y17F11-D13 VanDerWaalsContact C-N 3.3Å; F11-D13 PolarHBondContact O-N 3.37Å; D13-I15 VanDerWaalsContact C-N 3.31Å; D13-I15 PolarHBondContact O-N 2.7Å; D13-I15 WeakPolarHBondContact OD1-CA 3.46Å; D13-I15 VanDerWaalsContact OD1-CB 3.28Å; D13-I15 WeakPolarHBondContact OD1-CB 3.29Å; D13-I15 PolarHBondContact OD1-N 3.4Å; D13-Q16 PolarHBondContact OD1-N 2.71Å; D13-Y17 PolarHBondContact O-N 3.06Å; D13-Y17 VanDerWaalsContact O-N 3.17Å
14A86.5Confident72.2Confident40 Ų4047.8 Ų47.833%0.33124%0.237SC..Hα-helixtrans-69.8-24.1179.900000113.7H18 Y34A14-H18 PolarHBondContact O-CD2 3.28Å; A14-H18 PolarHBondContact O-N 3.09Å; A14-H18 VanDerWaalsContact O-N 3.07Å; A14-Y34 HydrophobicContact CB-CD1 3.79Å; A14-Y34 HydrophobicContact CB-CG 3.87Å
15I85.1Confident71.9Confident117 Ų11746.4 Ų46.460%0.624%0.239SC*.Hα-helixtrans-70.4-53.8179.3-59.2171.3000108.2D13 Y17 H18 E19D13-I15 VanDerWaalsContact C-N 3.31Å; D13-I15 PolarHBondContact O-N 2.7Å; D13-I15 WeakPolarHBondContact OD1-CA 3.46Å; D13-I15 VanDerWaalsContact OD1-CB 3.28Å; D13-I15 WeakPolarHBondContact OD1-CB 3.29Å; D13-I15 PolarHBondContact OD1-N 3.4Å; I15-Y17 PolarHBondContact O-N 3.17Å; I15-H18 PolarHBondContact O-N 3.3Å; I15-H18 VanDerWaalsContact O-N 3.09Å; I15-E19 HydrophobicContact CG2-CG 4.38Å; I15-E19 WeakPolarHBondContact O-CG 3.43Å; I15-E19 PolarHBondContact O-N 2.77Å
16Q81.6Confident72.2Confident0 Ų046.4 Ų46.40%024%0.237CC..Hα-helixtrans-57.3-38.6175.6-179.7176.462.900112.1F11 D13 E19 L20 A60F11-Q16 HydrophobicContact CD1-CG 4.41Å; D13-Q16 PolarHBondContact OD1-N 2.71Å; Q16-E19 PolarHBondContact O-N 3.29Å; Q16-L20 HydrophobicContact CG-CD1 3.92Å; Q16-L20 WeakPolarHBondContact O-CB 3.29Å; Q16-L20 PolarHBondContact O-N 3.44Å; Q16-A60 PolarHBondContact NE2-O 3.38Å
17Y77Confident72.3Confident0 Ų046.9 Ų46.90%024%0.242CC..Hα-helixtrans-58.7-49.2174.9-175.6-96.4000112.2F11 D13 I15 K21 S31 Y34 W37F11-Y17 HydrophobicContact CB-CD2 4.23Å; F11-Y17 HydrophobicContact CD1-CD2 4.06Å; F11-Y17 AromaticContact CD2-CD2 3.51Å; F11-Y17 HydrophobicContact CD2-CD2 3.51Å; F11-Y17 HydrophobicContact CD2-CE2 4Å; F11-Y17 HydrophobicContact CE1-CD2 4.27Å; F11-Y17 AromaticContact CE2-CD2 3.75Å; F11-Y17 HydrophobicContact CE2-CD2 3.75Å; F11-Y17 AromaticContact CE2-CE2 3.87Å; F11-Y17 HydrophobicContact CE2-CE2 3.87Å; F11-Y17 AromaticContact CG-CD2 3.68Å; F11-Y17 HydrophobicContact CG-CD2 3.68Å; F11-Y17 HydrophobicContact CG-CG 4.49Å; F11-Y17 HydrophobicContact CZ-CD2 4.13Å; F11-Y17 HydrophobicContact CZ-CE2 4.34Å; D13-Y17 PolarHBondContact O-N 3.06Å; D13-Y17 VanDerWaalsContact O-N 3.17Å; I15-Y17 PolarHBondContact O-N 3.17Å; Y17-K21 HydrophobicContact CE1-CD 3.87Å; Y17-K21 WeakPolarHBondContact O-CB 3.18Å; Y17-K21 PolarHBondContact O-N 3.41Å; Y17-S31 PolarHBondContact OH-O 3.44Å; Y17-Y34 HydrophobicContact CD2-CD2 4.01Å; Y17-Y34 AromaticContact CG-CD2 3.87Å; Y17-Y34 HydrophobicContact CG-CD2 3.87Å; Y17-Y34 HydrophobicContact CG-CG 4.36Å; Y17-W37 HydrophobicContact CD2-CD2 4.35Å; Y17-W37 HydrophobicContact CD2-CE3 4.44Å; Y17-W37 HydrophobicContact CD2-CG 4.32Å; Y17-W37 HydrophobicContact CE2-CB 3.68Å; Y17-W37 HydrophobicContact CE2-CD2 4.07Å; Y17-W37 AromaticContact CE2-CG 3.6Å; Y17-W37 HydrophobicContact CE2-CG 3.6Å
18H78.3Confident72.9Confident92 Ų9253 Ų5343%0.42627%0.273SS..Hα-helixtrans-71.2-35.9179.1-73.2-57.9000112.9A14 I15 N22A14-H18 PolarHBondContact O-CD2 3.28Å; A14-H18 PolarHBondContact O-N 3.09Å; A14-H18 VanDerWaalsContact O-N 3.07Å; I15-H18 PolarHBondContact O-N 3.3Å; I15-H18 VanDerWaalsContact O-N 3.09Å; H18-N22 WeakPolarHBondContact O-CB 3.47Å; H18-N22 PolarHBondContact O-N 2.94Å; H18-N22 PolarHBondContact O-ND2 3.01Å; H18-N22 VanDerWaalsContact O-ND2 3.08Å
19E74.8Confident72.7Confident83 Ų8353.4 Ų53.439%0.38828%0.276SS..Hα-helixtrans-56.9-57.8172.4-74.7174.5176.400111.1I15 Q16 K21 N22 I23 T62I15-E19 HydrophobicContact CG2-CG 4.38Å; I15-E19 WeakPolarHBondContact O-CG 3.43Å; I15-E19 PolarHBondContact O-N 2.77Å; Q16-E19 PolarHBondContact O-N 3.29Å; E19-K21 PolarHBondContact O-N 2.82Å; E19-N22 PolarHBondContact O-N 3.08Å; E19-I23 WeakPolarHBondContact O-CD1 3.32Å; E19-I23 WeakPolarHBondContact O-CG1 3.44Å; E19-T62 HydrophobicContact CB-CG2 4.38Å; E19-T62 PolarHBondContact OE2-OG1 3.32Å
20L66.6Low72.4Confident0 Ų052.9 Ų52.90%027%0.274CS..Hα-helixtrans-66.7-38.2-178.6-76169.3000112.1F9 F11 Q16 N22 I23 F24 T62 F65F9-L20 HydrophobicContact CE1-CD1 3.81Å; F9-L20 HydrophobicContact CZ-CD1 3.73Å; F11-L20 HydrophobicContact CD1-CD1 3.94Å; F11-L20 HydrophobicContact CE1-CB 3.96Å; F11-L20 HydrophobicContact CE1-CD1 3.7Å; F11-L20 HydrophobicContact CE1-CG 4.49Å; Q16-L20 HydrophobicContact CG-CD1 3.92Å; Q16-L20 WeakPolarHBondContact O-CB 3.29Å; Q16-L20 PolarHBondContact O-N 3.44Å; L20-N22 PolarHBondContact O-N 2.97Å; L20-I23 PolarHBondContact O-N 3.47Å; L20-F24 HydrophobicContact CB-CD2 4.36Å; L20-F24 HydrophobicContact CB-CE2 3.67Å; L20-F24 HydrophobicContact CB-CZ 3.79Å; L20-F24 HydrophobicContact CD1-CZ 4.47Å; L20-F24 HydrophobicContact CD2-CE1 4.46Å; L20-F24 HydrophobicContact CD2-CZ 4.23Å; L20-F24 HydrophobicContact CG-CZ 4.4Å; L20-F24 WeakPolarHBondContact O-CD2 3.41Å; L20-F24 WeakPolarHBondContact O-CG 3.47Å; L20-F24 PolarHBondContact O-N 3.39Å; L20-T62 HydrophobicContact CD2-CG2 3.93Å; L20-T62 HydrophobicContact CG-CG2 4.15Å; L20-F65 HydrophobicContact CD2-CD1 4.02Å
21K71Confident72.1Confident36 Ų3652.7 Ų52.716%0.15728%0.275CS..Hα-helixtrans-62.8-25.5175-169.8173.2179.1176.10113.1Y17 E19 I23 A27 L30 S31 D32Y17-K21 HydrophobicContact CE1-CD 3.87Å; Y17-K21 WeakPolarHBondContact O-CB 3.18Å; Y17-K21 PolarHBondContact O-N 3.41Å; E19-K21 PolarHBondContact O-N 2.82Å; K21-I23 VanDerWaalsContact C-N 3.31Å; K21-A27 WeakPolarHBondContact CE-O 3.5Å; K21-A27 HydrophobicContact CG-CB 3.89Å; K21-A27 WeakPolarHBondContact O-CB 3.36Å; K21-L30 HydrophobicContact CG-CD1 4.49Å; K21-S31 PolarHBondContact NZ-O 3Å; K21-D32 PolarHBondContact NZ-O 3.26Å
22N69.1Low71.8Confident141 Ų14158.8 Ų58.875%0.75431%0.308SS*.THydrogen-bonded Turntrans-79.6-11.4172.5-71.2-28.5000113.7H18 E19 L20H18-N22 WeakPolarHBondContact O-CB 3.47Å; H18-N22 PolarHBondContact O-N 2.94Å; H18-N22 PolarHBondContact O-ND2 3.01Å; H18-N22 VanDerWaalsContact O-ND2 3.08Å; E19-N22 PolarHBondContact O-N 3.08Å; L20-N22 PolarHBondContact O-N 2.97Å
23I64.3Low71.7Confident62 Ų6254.7 Ų54.732%0.31830%0.298SS..THydrogen-bonded Turntrans-108.5-31.9-175.4-58.7164.2000111.1E19 L20 K21 T25 T62 I66 I76E19-I23 WeakPolarHBondContact O-CD1 3.32Å; E19-I23 WeakPolarHBondContact O-CG1 3.44Å; L20-I23 PolarHBondContact O-N 3.47Å; K21-I23 VanDerWaalsContact C-N 3.31Å; I23-T25 PolarHBondContact O-N 3.3Å; I23-T62 HydrophobicContact CD1-CG2 4.24Å; I23-I66 HydrophobicContact CD1-CD1 3.71Å; I23-I66 HydrophobicContact CG2-CG1 4.49Å; I23-I76 HydrophobicContact CG2-CD1 4Å; I23-I76 HydrophobicContact CG2-CG2 3.83Å
24F62.5Low71.6Confident32 Ų3253.8 Ų53.814%0.1429%0.291CS..  trans-61.2127.9176.5-64.9-44.6000111.9F11 L20 D26 A27 L30 F65 I76F11-F24 HydrophobicContact CE1-CE2 4.12Å; F11-F24 HydrophobicContact CE1-CZ 4.47Å; F11-F24 HydrophobicContact CZ-CE2 4.02Å; L20-F24 HydrophobicContact CB-CD2 4.36Å; L20-F24 HydrophobicContact CB-CE2 3.67Å; L20-F24 HydrophobicContact CB-CZ 3.79Å; L20-F24 HydrophobicContact CD1-CZ 4.47Å; L20-F24 HydrophobicContact CD2-CE1 4.46Å; L20-F24 HydrophobicContact CD2-CZ 4.23Å; L20-F24 HydrophobicContact CG-CZ 4.4Å; L20-F24 WeakPolarHBondContact O-CD2 3.41Å; L20-F24 WeakPolarHBondContact O-CG 3.47Å; L20-F24 PolarHBondContact O-N 3.39Å; F24-D26 PolarHBondContact O-N 3.36Å; F24-A27 HydrophobicContact CB-CB 4.2Å; F24-A27 WeakPolarHBondContact O-CB 3.43Å; F24-A27 PolarHBondContact O-N 3.04Å; F24-L30 HydrophobicContact CD2-CD1 3.75Å; F24-L30 HydrophobicContact CE2-CD1 3.93Å; F24-F65 AromaticContact CE1-CE1 3.86Å; F24-F65 HydrophobicContact CE1-CE1 3.86Å; F24-F65 HydrophobicContact CE1-CZ 4.34Å; F24-I76 WeakPolarHBondContact CA-O 3.47Å; F24-I76 HydrophobicContact CD1-CG2 3.68Å; F24-I76 HydrophobicContact CE1-CG2 4.09Å
25T55.4Low71.6Confident109 Ų10957 Ų5767%0.66931%0.307SS*.THydrogen-bonded Turntrans-75.7-11.1179.169.60000113.4I23 I76 N77I23-T25 PolarHBondContact O-N 3.3Å; T25-I76 PolarHBondContact N-O 2.91Å; T25-I76 VanDerWaalsContact N-O 3.15Å; T25-N77 WeakPolarHBondContact OG1-CB 3.34Å
26D58.5Low71.4Confident14 Ų1455.7 Ų55.78%0.07530%0.299CS..THydrogen-bonded Turntrans-121.233.317760-14.2000111.5F24 D28 V29 N77 A78F24-D26 PolarHBondContact O-N 3.36Å; D26-D28 WeakPolarHBondContact CA-OD1 3.29Å; D26-D28 PolarHBondContact O-N 2.88Å; D26-V29 HydrophobicContact CB-CG1 4.28Å; D26-V29 WeakPolarHBondContact O-CG1 3.47Å; D26-V29 WeakPolarHBondContact O-CG2 3.3Å; D26-V29 PolarHBondContact O-N 2.97Å; D26-N77 HydrophobicContact CB-CB 4.49Å; D26-N77 VanDerWaalsContact OD1-CA 3.28Å; D26-N77 WeakPolarHBondContact OD1-CA 3.38Å; D26-N77 WeakPolarHBondContact OD1-CB 3.45Å; D26-A78 WeakPolarHBondContact OD2-CB 3.33Å; D26-A78 PolarHBondContact OD2-N 3.24Å
27A58.4Low71.6Confident21 Ų2156 Ų5617%0.17430%0.3CS..G310 helixtrans-55.3-17-17800000115.5K21 F24 V29 L30K21-A27 WeakPolarHBondContact CE-O 3.5Å; K21-A27 HydrophobicContact CG-CB 3.89Å; K21-A27 WeakPolarHBondContact O-CB 3.36Å; F24-A27 HydrophobicContact CB-CB 4.2Å; F24-A27 WeakPolarHBondContact O-CB 3.43Å; F24-A27 PolarHBondContact O-N 3.04Å; A27-V29 VanDerWaalsContact C-N 3.28Å; A27-L30 PolarHBondContact O-N 3.32Å
28D67.4Low72.1Confident136 Ų13659.5 Ų59.573%0.72732%0.315SS*.G310 helixtrans-70.8-17.317560.3-56000113.8D26 L30D26-D28 WeakPolarHBondContact CA-OD1 3.29Å; D26-D28 PolarHBondContact O-N 2.88Å; D28-L30 PolarHBondContact O-N 3.35Å
29V62.6Low72.3Confident12 Ų1261.1 Ų61.17%0.07332%0.322CS..G310 helixtrans-76.1-10.9174.2-510000113.5D26 A27 Y98 I125D26-V29 HydrophobicContact CB-CG1 4.28Å; D26-V29 WeakPolarHBondContact O-CG1 3.47Å; D26-V29 WeakPolarHBondContact O-CG2 3.3Å; D26-V29 PolarHBondContact O-N 2.97Å; A27-V29 VanDerWaalsContact C-N 3.28Å; V29-Y98 HydrophobicContact CG1-CE2 4.4Å; V29-I125 HydrophobicContact CB-CB 4.26Å; V29-I125 HydrophobicContact CB-CD1 4.04Å; V29-I125 HydrophobicContact CB-CG1 4.28Å; V29-I125 HydrophobicContact CG1-CD1 4.31Å; V29-I125 HydrophobicContact CG2-CB 3.99Å; V29-I125 HydrophobicContact CG2-CD1 3.84Å; V29-I125 HydrophobicContact CG2-CG1 4.29Å; V29-I125 PolarHBondContact O-N 2.69Å
30L65.5Low72.3Confident23 Ų2358 Ų5812%0.1231%0.308CS..SBendtrans-97.1151179-62.5176.6000111.1F11 K21 F24 A27 D28F11-L30 HydrophobicContact CZ-CD1 4.4Å; K21-L30 HydrophobicContact CG-CD1 4.49Å; F24-L30 HydrophobicContact CD2-CD1 3.75Å; F24-L30 HydrophobicContact CE2-CD1 3.93Å; A27-L30 PolarHBondContact O-N 3.32Å; D28-L30 PolarHBondContact O-N 3.35Å
31S74.5Confident72.8Confident12 Ų1258 Ų588%0.08431%0.309CS..  trans-52.3158173.7-44.40000112.6Y17 K21 S33Y17-S31 PolarHBondContact OH-O 3.44Å; K21-S31 PolarHBondContact NZ-O 3Å; S31-S33 PolarHBondContact O-N 3.03Å
32D76.3Confident73.6Confident135 Ų13559.3 Ų59.372%0.72232%0.315SS*.SBendtrans-65.8-42.2-176.2-74.5-43.1000112.5K21K21-D32 PolarHBondContact NZ-O 3.26Å
33S82.8Confident74.1Confident37 Ų3756 Ų5626%0.25929%0.294SS..SBendtrans-117.2155.2178.971.70000114.7S31 T35 E36 W37S31-S33 PolarHBondContact O-N 3.03Å; S33-T35 PolarHBondContact O-N 3.11Å; S33-E36 WeakPolarHBondContact CB-OE2 3.33Å; S33-E36 PolarHBondContact N-OE2 3.04Å; S33-E36 PolarHBondContact O-N 3.48Å; S33-E36 WeakPolarHBondContact OG-CG 3.49Å; S33-E36 PolarHBondContact OG-N 2.93Å; S33-E36 PolarHBondContact OG-OE2 3.03Å; S33-W37 PolarHBondContact O-N 3.37Å
34Y85Confident74.5Confident27 Ų2753.5 Ų53.511%0.10628%0.282CS..Hα-helixtrans-55.8-35.2170.1173.5-104.7000112.7F11 R12 A14 Y17 W37 K38F11-Y34 HydrophobicContact CB-CD2 4.35Å; F11-Y34 HydrophobicContact CB-CE2 3.99Å; F11-Y34 WeakPolarHBondContact O-CE2 3.36Å; F11-Y34 PolarHBondContact O-OH 3.43Å; R12-Y34 PolarHBondContact O-OH 3.16Å; A14-Y34 HydrophobicContact CB-CD1 3.79Å; A14-Y34 HydrophobicContact CB-CG 3.87Å; Y17-Y34 HydrophobicContact CD2-CD2 4.01Å; Y17-Y34 AromaticContact CG-CD2 3.87Å; Y17-Y34 HydrophobicContact CG-CD2 3.87Å; Y17-Y34 HydrophobicContact CG-CG 4.36Å; Y34-W37 AromaticContact CD2-CE3 3.76Å; Y34-W37 HydrophobicContact CD2-CE3 3.76Å; Y34-W37 HydrophobicContact CD2-CZ3 4.14Å; Y34-W37 AromaticContact CE2-CE3 3.75Å; Y34-W37 HydrophobicContact CE2-CE3 3.75Å; Y34-W37 AromaticContact CE2-CZ3 3.64Å; Y34-W37 HydrophobicContact CE2-CZ3 3.64Å; Y34-K38 HydrophobicContact CE1-CD 3.95Å; Y34-K38 WeakPolarHBondContact O-CB 3.3Å; Y34-K38 PolarHBondContact O-N 3.41Å
35T87.7Confident75.3Confident108 Ų10852.8 Ų52.866%0.66328%0.279SS*.Hα-helixtrans-65.1-43.8-179.7-54.70000111.6S33 H39S33-T35 PolarHBondContact O-N 3.11Å; T35-H39 VanDerWaalsContact O-CB 3.29Å; T35-H39 WeakPolarHBondContact O-CB 3.45Å; T35-H39 PolarHBondContact O-N 2.94Å; T35-H39 VanDerWaalsContact O-N 3.07Å
36E80.7Confident76.6Confident90 Ų9052.9 Ų52.942%0.42127%0.27SS..Hα-helixtrans-67.1-50.6175.1-69.6156146.600110.5S33 K38 H39 D40S33-E36 WeakPolarHBondContact CB-OE2 3.33Å; S33-E36 PolarHBondContact N-OE2 3.04Å; S33-E36 PolarHBondContact O-N 3.48Å; S33-E36 WeakPolarHBondContact OG-CG 3.49Å; S33-E36 PolarHBondContact OG-N 2.93Å; S33-E36 PolarHBondContact OG-OE2 3.03Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.03Å; E36-H39 WeakPolarHBondContact O-CB 3.35Å; E36-H39 PolarHBondContact O-N 3.49Å; E36-D40 WeakPolarHBondContact O-CB 3.43Å; E36-D40 PolarHBondContact O-N 3.3Å
37W86.3Confident77.4Confident6 Ų656.2 Ų56.22%0.02328%0.281CS..Hα-helixtrans-52-48.4176.6170.181000111.4W10 F11 Y17 S33 Y34 D40 A41W10-W37 AromaticContact CD2-CH2 3.81Å; W10-W37 HydrophobicContact CD2-CH2 3.81Å; W10-W37 AromaticContact CE3-CH2 3.69Å; W10-W37 HydrophobicContact CE3-CH2 3.69Å; W10-W37 HydrophobicContact CE3-CZ2 4.25Å; W10-W37 HydrophobicContact CG-CH2 4.3Å; W10-W37 HydrophobicContact CH2-CH2 4.39Å; W10-W37 AromaticContact CZ3-CH2 4Å; W10-W37 HydrophobicContact CZ3-CH2 4Å; F11-W37 HydrophobicContact CB-CE3 4.48Å; F11-W37 HydrophobicContact CB-CH2 4.19Å; F11-W37 HydrophobicContact CB-CZ3 4.02Å; F11-W37 AromaticContact CD2-CD2 3.73Å; F11-W37 HydrophobicContact CD2-CD2 3.73Å; F11-W37 AromaticContact CD2-CE2 3.46Å; F11-W37 VanDerWaalsContact CD2-CE2 3.46Å; F11-W37 AromaticContact CD2-CE3 3.93Å; F11-W37 HydrophobicContact CD2-CE3 3.93Å; F11-W37 AromaticContact CD2-CH2 3.73Å; F11-W37 HydrophobicContact CD2-CH2 3.73Å; F11-W37 AromaticContact CD2-CZ2 3.48Å; F11-W37 HydrophobicContact CD2-CZ2 3.48Å; F11-W37 VanDerWaalsContact CD2-CZ2 3.48Å; F11-W37 AromaticContact CD2-CZ3 3.93Å; F11-W37 HydrophobicContact CD2-CZ3 3.93Å; F11-W37 AromaticContact CD2-NE1 3.99Å; F11-W37 HydrophobicContact CE2-CD2 4.18Å; F11-W37 AromaticContact CE2-CE2 3.74Å; F11-W37 HydrophobicContact CE2-CZ2 4.03Å; F11-W37 AromaticContact CE2-NE1 3.77Å; F11-W37 HydrophobicContact CG-CH2 4.45Å; Y17-W37 HydrophobicContact CD2-CD2 4.35Å; Y17-W37 HydrophobicContact CD2-CE3 4.44Å; Y17-W37 HydrophobicContact CD2-CG 4.32Å; Y17-W37 HydrophobicContact CE2-CB 3.68Å; Y17-W37 HydrophobicContact CE2-CD2 4.07Å; Y17-W37 AromaticContact CE2-CG 3.6Å; Y17-W37 HydrophobicContact CE2-CG 3.6Å; S33-W37 PolarHBondContact O-N 3.37Å; Y34-W37 AromaticContact CD2-CE3 3.76Å; Y34-W37 HydrophobicContact CD2-CE3 3.76Å; Y34-W37 HydrophobicContact CD2-CZ3 4.14Å; Y34-W37 AromaticContact CE2-CE3 3.75Å; Y34-W37 HydrophobicContact CE2-CE3 3.75Å; Y34-W37 AromaticContact CE2-CZ3 3.64Å; Y34-W37 HydrophobicContact CE2-CZ3 3.64Å; W37-D40 PolarHBondContact O-N 3.05Å; W37-A41 HydrophobicContact CH2-CB 4.32Å; W37-A41 HydrophobicContact CZ2-CB 3.89Å; W37-A41 VanDerWaalsContact O-CB 3.26Å; W37-A41 WeakPolarHBondContact O-CB 3.34Å; W37-A41 PolarHBondContact O-N 3.2Å
38K87.2Confident77.9Confident73 Ų7355.9 Ų55.932%0.31728%0.277SS..Hα-helixtrans-65.1-45.7-178.8-177.9175.2-175.1165.90112W10 Y34 E36 D40 A41 E42W10-K38 HydrophobicContact CH2-CG 4.34Å; W10-K38 HydrophobicContact CZ2-CG 4.46Å; Y34-K38 HydrophobicContact CE1-CD 3.95Å; Y34-K38 WeakPolarHBondContact O-CB 3.3Å; Y34-K38 PolarHBondContact O-N 3.41Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.03Å; K38-D40 PolarHBondContact O-N 3.47Å; K38-A41 PolarHBondContact O-N 2.94Å; K38-E42 WeakPolarHBondContact CE-OE1 3.46Å; K38-E42 WeakPolarHBondContact O-CB 3.3Å; K38-E42 VanDerWaalsContact O-CG 3.31Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 3.09Å
39H82.7Confident78.5Confident126 Ų12654.3 Ų54.358%0.58327%0.266SS*.Hα-helixtrans-57.6-37.8176.6177.265.5000111.6T35 E36 K43T35-H39 VanDerWaalsContact O-CB 3.29Å; T35-H39 WeakPolarHBondContact O-CB 3.45Å; T35-H39 PolarHBondContact O-N 2.94Å; T35-H39 VanDerWaalsContact O-N 3.07Å; E36-H39 WeakPolarHBondContact O-CB 3.35Å; E36-H39 PolarHBondContact O-N 3.49Å; H39-K43 PolarHBondContact CD2-NZ 3.13Å; H39-K43 WeakPolarHBondContact O-CG 3.48Å; H39-K43 PolarHBondContact O-N 3.47Å; H39-K43 VanDerWaalsContact O-N 3.1Å
40D74.9Confident79.6Confident17 Ų1764.2 Ų64.29%0.09130%0.302CS..Hα-helixtrans-83.8-36.3-176.9-69.1-34.4000113.4E36 W37 K38 E42 K43 L44 R86E36-D40 WeakPolarHBondContact O-CB 3.43Å; E36-D40 PolarHBondContact O-N 3.3Å; W37-D40 PolarHBondContact O-N 3.05Å; K38-D40 PolarHBondContact O-N 3.47Å; D40-E42 VanDerWaalsContact C-N 3.34Å; D40-K43 PolarHBondContact O-N 3.37Å; D40-K43 IonicContact OD1-NZ 3.8Å; D40-K43 PolarHBondContact OD1-NZ 3.47Å; D40-L44 WeakPolarHBondContact O-CB 3.5Å; D40-L44 PolarHBondContact O-N 3.36Å; D40-R86 VanDerWaalsContact CG-CZ 3.48Å; D40-R86 IonicContact OD1-CZ 3.23Å; D40-R86 IonicContact OD1-NH1 2.72Å; D40-R86 PolarHBondContact OD1-NH1 3.46Å; D40-R86 IonicContact OD1-NH2 2.82Å; D40-R86 IonicContact OD2-CZ 3.87Å; D40-R86 IonicContact OD2-NH1 3.11Å; D40-R86 PolarHBondContact OD2-NH1 3.31Å; D40-R86 IonicContact OD2-NH2 2.64Å; D40-R86 PolarHBondContact OD2-NH2 3.35Å
41A76.4Confident80Confident1 Ų166.4 Ų66.41%0.00832%0.319CS..Hα-helixtrans-61.4-39.9167.300000111.5L8 W10 W37 K38 L44 I45L8-A41 HydrophobicContact CD2-CB 4.47Å; W10-A41 HydrophobicContact CZ3-CB 3.84Å; W37-A41 HydrophobicContact CH2-CB 4.32Å; W37-A41 HydrophobicContact CZ2-CB 3.89Å; W37-A41 VanDerWaalsContact O-CB 3.26Å; W37-A41 WeakPolarHBondContact O-CB 3.34Å; W37-A41 PolarHBondContact O-N 3.2Å; K38-A41 PolarHBondContact O-N 2.94Å; A41-L44 WeakPolarHBondContact O-CB 3.41Å; A41-L44 PolarHBondContact O-N 3.46Å; A41-I45 VanDerWaalsContact O-CG1 3.28Å; A41-I45 WeakPolarHBondContact O-CG1 3.4Å; A41-I45 PolarHBondContact O-N 3.39Å
42E88.2Confident80Confident63 Ų6369 Ų6929%0.29435%0.347SS..Hα-helixtrans-68.4-37.3174.5-74.3-178.3-168.800113.2W10 K38 D40 L44 K46W10-E42 HydrophobicContact CH2-CG 4Å; K38-E42 WeakPolarHBondContact CE-OE1 3.46Å; K38-E42 WeakPolarHBondContact O-CB 3.3Å; K38-E42 VanDerWaalsContact O-CG 3.31Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 3.09Å; D40-E42 VanDerWaalsContact C-N 3.34Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-K46 WeakPolarHBondContact O-CD 3.47Å; E42-K46 VanDerWaalsContact O-CG 3.31Å; E42-K46 WeakPolarHBondContact O-CG 3.35Å; E42-K46 PolarHBondContact O-N 3.32Å
43K79.9Confident79.7Confident73 Ų7365.2 Ų65.232%0.31733%0.325SS..Hα-helixtrans-63.3-38.5170.1-75.7171.6-168156.50111.5H39 D40 R47H39-K43 PolarHBondContact CD2-NZ 3.13Å; H39-K43 WeakPolarHBondContact O-CG 3.48Å; H39-K43 PolarHBondContact O-N 3.47Å; H39-K43 VanDerWaalsContact O-N 3.1Å; D40-K43 PolarHBondContact O-N 3.37Å; D40-K43 IonicContact OD1-NZ 3.8Å; D40-K43 PolarHBondContact OD1-NZ 3.47Å; K43-R47 PolarHBondContact O-N 3.04Å
44L72.9Confident78.7Confident9 Ų971.5 Ų71.55%0.04734%0.344CS..Hα-helixtrans-64.7-50.2177.917665.9000111D40 A41 E42 K46 R47 V48 I84 A93 V126D40-L44 WeakPolarHBondContact O-CB 3.5Å; D40-L44 PolarHBondContact O-N 3.36Å; A41-L44 WeakPolarHBondContact O-CB 3.41Å; A41-L44 PolarHBondContact O-N 3.46Å; E42-L44 VanDerWaalsContact C-N 3.3Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 3.1Å; L44-R47 WeakPolarHBondContact O-CA 3.42Å; L44-R47 WeakPolarHBondContact O-CB 3.31Å; L44-R47 PolarHBondContact O-N 3.32Å; L44-V48 HydrophobicContact CD1-CG2 3.99Å; L44-V48 HydrophobicContact CG-CG2 4.28Å; L44-V48 WeakPolarHBondContact O-CG2 3.4Å; L44-V48 PolarHBondContact O-N 2.98Å; L44-I84 HydrophobicContact CD1-CB 4.48Å; L44-I84 HydrophobicContact CD1-CD1 4.2Å; L44-I84 HydrophobicContact CD1-CG2 3.63Å; L44-I84 HydrophobicContact CD2-CB 4.18Å; L44-I84 HydrophobicContact CD2-CD1 3.93Å; L44-I84 HydrophobicContact CD2-CG2 4.15Å; L44-I84 HydrophobicContact CG-CD1 4.39Å; L44-A93 HydrophobicContact CD1-CB 4.37Å; L44-V126 HydrophobicContact CD1-CG2 4.3Å; L44-V126 HydrophobicContact CD2-CB 4.11Å; L44-V126 HydrophobicContact CD2-CG2 3.68Å; L44-V126 HydrophobicContact CG-CG2 4.44Å
45I77.7Confident77.8Confident16 Ų1671.5 Ų71.58%0.08235%0.346CS..Hα-helixtrans-51.7-53176.2-70.6161.2000110.2L8 W10 A41 R47 V48 E49 V55 K57L8-I45 HydrophobicContact CD2-CD1 3.96Å; L8-I45 HydrophobicContact CD2-CG1 3.89Å; W10-I45 HydrophobicContact CE3-CD1 4.29Å; W10-I45 HydrophobicContact CH2-CD1 4.38Å; W10-I45 HydrophobicContact CZ3-CD1 3.65Å; A41-I45 VanDerWaalsContact O-CG1 3.28Å; A41-I45 WeakPolarHBondContact O-CG1 3.4Å; A41-I45 PolarHBondContact O-N 3.39Å; I45-R47 PolarHBondContact O-N 3.1Å; I45-V48 PolarHBondContact O-N 3.16Å; I45-V48 VanDerWaalsContact O-N 3.14Å; I45-E49 HydrophobicContact CG2-CG 4.22Å; I45-E49 WeakPolarHBondContact O-CB 3.29Å; I45-E49 WeakPolarHBondContact O-CG 3.48Å; I45-E49 PolarHBondContact O-N 3.46Å; I45-V55 HydrophobicContact CB-CG2 4.43Å; I45-V55 HydrophobicContact CG1-CB 4.09Å; I45-V55 HydrophobicContact CG1-CG1 3.93Å; I45-V55 HydrophobicContact CG1-CG2 4.18Å; I45-V55 HydrophobicContact CG2-CB 4.34Å; I45-V55 HydrophobicContact CG2-CG2 4.37Å; I45-K57 VanDerWaalsContact CD1-CE 3.47Å
46K84Confident77.1Confident112 Ų11270.8 Ų70.849%0.48734%0.337SS..Hα-helixtrans-58.2-25178.1-71.2164.2-175.1159.70113.6E42 L44 R50E42-K46 WeakPolarHBondContact O-CD 3.47Å; E42-K46 VanDerWaalsContact O-CG 3.31Å; E42-K46 WeakPolarHBondContact O-CG 3.35Å; E42-K46 PolarHBondContact O-N 3.32Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 3.1Å; K46-R50 WeakPolarHBondContact O-CD 3.37Å; K46-R50 WeakPolarHBondContact O-CG 3.36Å; K46-R50 PolarHBondContact O-N 3Å; K46-R50 PolarHBondContact O-NE 3.18Å
47R75.3Confident76.9Confident83 Ų8371.1 Ų71.131%0.31334%0.338SS..Hα-helixtrans-84.1-42178.1-167.9-172.7-55.4-167.7-2112.1K43 L44 I45 R50 S51 N91 A93K43-R47 PolarHBondContact O-N 3.04Å; L44-R47 WeakPolarHBondContact O-CA 3.42Å; L44-R47 WeakPolarHBondContact O-CB 3.31Å; L44-R47 PolarHBondContact O-N 3.32Å; I45-R47 PolarHBondContact O-N 3.1Å; R47-R50 PolarHBondContact O-N 3.37Å; R47-S51 PolarHBondContact O-N 2.66Å; R47-N91 PolarHBondContact NH1-O 3.13Å; R47-N91 PolarHBondContact NH2-O 3.41Å; R47-N91 PolarHBondContact NH2-OD1 3.45Å; R47-A93 VanDerWaalsContact NH1-CB 3.27Å; R47-A93 VanDerWaalsContact NH1-N 3.15Å
48V68.5Low76.1Confident14 Ų1473.5 Ų73.59%0.08535%0.352CS..Hα-helixtrans-68-37.9176.4176.60000110.7V6 L44 I45 R50 S51 Q53 V55 I84V6-V48 HydrophobicContact CB-CG1 4.47Å; V6-V48 HydrophobicContact CG2-CG1 4.12Å; L44-V48 HydrophobicContact CD1-CG2 3.99Å; L44-V48 HydrophobicContact CG-CG2 4.28Å; L44-V48 WeakPolarHBondContact O-CG2 3.4Å; L44-V48 PolarHBondContact O-N 2.98Å; I45-V48 PolarHBondContact O-N 3.16Å; I45-V48 VanDerWaalsContact O-N 3.14Å; V48-R50 VanDerWaalsContact C-N 3.35Å; V48-R50 PolarHBondContact O-N 3.15Å; V48-S51 PolarHBondContact O-N 2.8Å; V48-S51 PolarHBondContact O-OG 3.36Å; V48-Q53 CarbonylContact C-O 3.58Å; V48-Q53 HydrophobicContact CG1-CB 3.7Å; V48-Q53 PolarHBondContact O-N 3.16Å; V48-Q53 VanDerWaalsContact O-O 3.12Å; V48-V55 HydrophobicContact CB-CG2 3.75Å; V48-V55 HydrophobicContact CG1-CG2 3.57Å; V48-V55 HydrophobicContact CG2-CG2 4.47Å; V48-I84 HydrophobicContact CG2-CD1 4.35Å
49E79.4Confident75.4Confident104 Ų10475.1 Ų75.149%0.48636%0.361SS..Hα-helixtrans-65.1-37.6173.4-70.2174.6156.500112.2I45 S51 G52 Q53I45-E49 HydrophobicContact CG2-CG 4.22Å; I45-E49 WeakPolarHBondContact O-CB 3.29Å; I45-E49 WeakPolarHBondContact O-CG 3.48Å; I45-E49 PolarHBondContact O-N 3.46Å; E49-S51 VanDerWaalsContact C-N 3.29Å; E49-S51 PolarHBondContact O-N 3.34Å; E49-G52 PolarHBondContact O-N 3.4Å; E49-Q53 VanDerWaalsContact CA-O 3.26Å; E49-Q53 WeakPolarHBondContact CA-O 3.5Å; E49-Q53 PolarHBondContact N-O 2.94Å
50R85.2Confident74.5Confident219 Ų21970.4 Ų70.483%0.82634%0.344SS*.Hα-helixtrans-66.8-23.9174.1-75.9169.1-171-175.41.3114K46 R47 V48 G52K46-R50 WeakPolarHBondContact O-CD 3.37Å; K46-R50 WeakPolarHBondContact O-CG 3.36Å; K46-R50 PolarHBondContact O-N 3Å; K46-R50 PolarHBondContact O-NE 3.18Å; R47-R50 PolarHBondContact O-N 3.37Å; V48-R50 VanDerWaalsContact C-N 3.35Å; V48-R50 PolarHBondContact O-N 3.15Å; R50-G52 PolarHBondContact O-N 3.01Å
51S74Confident74.4Confident69 Ų6973 Ų7348%0.48336%0.358SS..THydrogen-bonded Turntrans-81.90.1171.866.40000113.1R47 V48 E49 Q53R47-S51 PolarHBondContact O-N 2.66Å; V48-S51 PolarHBondContact O-N 2.8Å; V48-S51 PolarHBondContact O-OG 3.36Å; E49-S51 VanDerWaalsContact C-N 3.29Å; E49-S51 PolarHBondContact O-N 3.34Å; S51-Q53 PolarHBondContact OG-OE1 3.38Å; S51-Q53 VanDerWaalsContact OG-OE1 3.09Å
52G76.1Confident73.9Confident66 Ų6673.7 Ų73.768%0.6836%0.362SS*.THydrogen-bonded Turntrans86.220.9179.700000114.1E49 R50E49-G52 PolarHBondContact O-N 3.4Å; R50-G52 PolarHBondContact O-N 3.01Å
53Q68.1Low72.9Confident56 Ų5673.8 Ų73.826%0.26237%0.373SS..  trans-111.6138.7178.3-50.8-178.7-88.600109.8V3 V48 E49 S51V3-Q53 WeakPolarHBondContact O-CG 3.13Å; V3-Q53 PolarHBondContact O-NE2 3.29Å; V48-Q53 CarbonylContact C-O 3.58Å; V48-Q53 HydrophobicContact CG1-CB 3.7Å; V48-Q53 PolarHBondContact O-N 3.16Å; V48-Q53 VanDerWaalsContact O-O 3.12Å; E49-Q53 VanDerWaalsContact CA-O 3.26Å; E49-Q53 WeakPolarHBondContact CA-O 3.5Å; E49-Q53 PolarHBondContact N-O 2.94Å; S51-Q53 PolarHBondContact OG-OE1 3.38Å; S51-Q53 VanDerWaalsContact OG-OE1 3.09Å
54R63.7Low72.2Confident170 Ų17076.8 Ų76.864%0.64239%0.389SS*.EExtended strand (participates in β ladder)trans-82.8144.2175.1-61.7-174.8-65.7-163.42110.1Q4 A5 V6Q4-R54 PolarHBondContact O-N 3.42Å; A5-R54 CarbonylContact C-O 3.58Å; A5-R54 VanDerWaalsContact CA-O 3.22Å; A5-R54 WeakPolarHBondContact CA-O 3.42Å; V6-R54 PolarHBondContact N-O 3.33Å
55V66.1Low71.7Confident26 Ų2678.3 Ų78.316%0.15840%0.395CS..EExtended strand (participates in β ladder)trans-101.4127.7168-176.10000109.7V6 L8 I45 V48V6-V55 WeakPolarHBondContact O-CA 3.18Å; L8-V55 HydrophobicContact CB-CG1 3.61Å; L8-V55 HydrophobicContact CD2-CG1 4.02Å; L8-V55 HydrophobicContact CG-CG1 4.48Å; I45-V55 HydrophobicContact CB-CG2 4.43Å; I45-V55 HydrophobicContact CG1-CB 4.09Å; I45-V55 HydrophobicContact CG1-CG1 3.93Å; I45-V55 HydrophobicContact CG1-CG2 4.18Å; I45-V55 HydrophobicContact CG2-CB 4.34Å; I45-V55 HydrophobicContact CG2-CG2 4.37Å; V48-V55 HydrophobicContact CB-CG2 3.75Å; V48-V55 HydrophobicContact CG1-CG2 3.57Å; V48-V55 HydrophobicContact CG2-CG2 4.47Å
56I71Confident70.9Confident93 Ų9379.9 Ų79.948%0.47740%0.403SS..EExtended strand (participates in β ladder)trans-99.1114.1171.5-59.2176.1000106.6A5 V6 G7 L8 V58A5-I56 HydrophobicContact CB-CD1 4.01Å; A5-I56 HydrophobicContact CB-CG1 4.41Å; V6-I56 PolarHBondContact O-N 2.94Å; G7-I56 CarbonylContact C-O 3.47Å; G7-I56 WeakPolarHBondContact CA-O 3.21Å; L8-I56 PolarHBondContact N-O 3.38Å; I56-V58 HydrophobicContact CG2-CG2 4.26Å; I56-V58 PolarHBondContact O-N 3.03Å
57K77.6Confident69.9Low98 Ų9877.4 Ų77.443%0.42640%0.403SS..EExtended strand (participates in β ladder)trans-72.9123.3170.3-67.4180176.2-165.30108.3L8 W10 I45L8-K57 WeakPolarHBondContact O-CA 3.22Å; W10-K57 HydrophobicContact CB-CB 3.88Å; W10-K57 HydrophobicContact CB-CG 4.27Å; W10-K57 HydrophobicContact CD2-CB 4.45Å; W10-K57 HydrophobicContact CD2-CD 3.56Å; W10-K57 HydrophobicContact CD2-CG 3.97Å; W10-K57 HydrophobicContact CE3-CD 3.77Å; W10-K57 HydrophobicContact CE3-CG 3.92Å; W10-K57 HydrophobicContact CG-CB 4.05Å; W10-K57 HydrophobicContact CG-CD 3.91Å; W10-K57 HydrophobicContact CG-CG 4.1Å; W10-K57 HydrophobicContact CZ2-CD 4.39Å; W10-K57 HydrophobicContact CZ3-CD 4.28Å; I45-K57 VanDerWaalsContact CD1-CE 3.47Å
58V69.2Low69.2Low55 Ų5576.8 Ų76.833%0.33340%0.401SS..EExtended strand (participates in β ladder)trans-110.7106.5177.9-177.40000107.1L8 F9 W10 I56L8-V58 PolarHBondContact O-N 3.44Å; F9-V58 CarbonylContact C-O 3.59Å; F9-V58 WeakPolarHBondContact CA-O 3.35Å; W10-V58 PolarHBondContact N-O 3.24Å; I56-V58 HydrophobicContact CG2-CG2 4.26Å; I56-V58 PolarHBondContact O-N 3.03Å
59E73.2Confident68.6Low107 Ų10776.3 Ų76.350%0.540%0.398SS..  trans-88.8142.3167.8-55.5-169.9-172.100107.9W10W10-E59 HydrophobicContact CB-CG 4.23Å
60A62.7Low67.8Low28 Ų2876.2 Ų76.223%0.23141%0.405CS..  trans-131149.7170.800000108.5F9 Q16 F65F9-A60 HydrophobicContact CE2-CB 3.78Å; F9-A60 HydrophobicContact CZ-CB 4.16Å; Q16-A60 PolarHBondContact NE2-O 3.38Å; A60-F65 HydrophobicContact CB-CB 4.29Å
61D74.1Confident66.5Low71 Ų7169.8 Ų69.838%0.3839%0.394SS..  trans-69.7144.1166.6178.8-98.9000110.5A63 E64 F65D61-A63 VanDerWaalsContact C-N 3.34Å; D61-A63 PolarHBondContact O-N 3.01Å; D61-A63 WeakPolarHBondContact OD1-CA 3.35Å; D61-A63 WeakPolarHBondContact OD1-CB 3.45Å; D61-A63 PolarHBondContact OD1-N 2.86Å; D61-E64 HydrophobicContact CB-CB 4.05Å; D61-E64 HydrophobicContact CB-CG 3.91Å; D61-E64 PolarHBondContact O-N 2.89Å; D61-E64 PolarHBondContact OD1-N 3.15Å; D61-F65 VanDerWaalsContact O-CB 3.27Å; D61-F65 WeakPolarHBondContact O-CB 3.29Å; D61-F65 PolarHBondContact O-N 3.25Å
62T65.5Low65.9Low16 Ų1671.9 Ų71.910%0.09840%0.396CS..Hα-helixtrans-59.8-44.2-177.9-57.10000111.1E19 L20 I23 I66E19-T62 HydrophobicContact CB-CG2 4.38Å; E19-T62 PolarHBondContact OE2-OG1 3.32Å; L20-T62 HydrophobicContact CD2-CG2 3.93Å; L20-T62 HydrophobicContact CG-CG2 4.15Å; I23-T62 HydrophobicContact CD1-CG2 4.24Å; T62-I66 HydrophobicContact CG2-CD1 3.96Å; T62-I66 WeakPolarHBondContact O-CD1 3.39Å; T62-I66 WeakPolarHBondContact O-CG1 3.4Å; T62-I66 PolarHBondContact O-N 2.87Å
63A66.8Low64.7Low64 Ų6472.1 Ų72.153%0.52940%0.398SS..Hα-helixtrans-75.2-39.8-178.300000112D61 F65 I66 A67D61-A63 VanDerWaalsContact C-N 3.34Å; D61-A63 PolarHBondContact O-N 3.01Å; D61-A63 WeakPolarHBondContact OD1-CA 3.35Å; D61-A63 WeakPolarHBondContact OD1-CB 3.45Å; D61-A63 PolarHBondContact OD1-N 2.86Å; A63-F65 VanDerWaalsContact C-N 3.34Å; A63-F65 PolarHBondContact O-N 3.32Å; A63-I66 PolarHBondContact O-N 3.43Å; A63-A67 VanDerWaalsContact O-CB 3.28Å; A63-A67 WeakPolarHBondContact O-CB 3.31Å; A63-A67 PolarHBondContact O-N 2.85Å
64E64.6Low64Low137 Ų13772.8 Ų72.864%0.6440%0.403SS*.Hα-helixtrans-61.3-42.5174.5-66.6-173.8156.600112D61 A67 W68D61-E64 HydrophobicContact CB-CB 4.05Å; D61-E64 HydrophobicContact CB-CG 3.91Å; D61-E64 PolarHBondContact O-N 2.89Å; D61-E64 PolarHBondContact OD1-N 3.15Å; E64-A67 PolarHBondContact O-N 3.04Å; E64-W68 WeakPolarHBondContact O-CB 3.27Å; E64-W68 PolarHBondContact O-N 3.07Å
65F62Low63.3Low41 Ų4166.6 Ų66.618%0.1839%0.392CS..Hα-helixtrans-62.8-47.1177.4179.7-99.7000112.1F9 L20 F24 A60 D61 A63 A67 W68 C69 I76F9-F65 HydrophobicContact CE2-CD2 4.17Å; F9-F65 HydrophobicContact CE2-CE2 4.35Å; L20-F65 HydrophobicContact CD2-CD1 4.02Å; F24-F65 AromaticContact CE1-CE1 3.86Å; F24-F65 HydrophobicContact CE1-CE1 3.86Å; F24-F65 HydrophobicContact CE1-CZ 4.34Å; A60-F65 HydrophobicContact CB-CB 4.29Å; D61-F65 VanDerWaalsContact O-CB 3.27Å; D61-F65 WeakPolarHBondContact O-CB 3.29Å; D61-F65 PolarHBondContact O-N 3.25Å; A63-F65 VanDerWaalsContact C-N 3.34Å; A63-F65 PolarHBondContact O-N 3.32Å; F65-A67 PolarHBondContact O-N 3.2Å; F65-W68 HydrophobicContact CE2-CE3 4.48Å; F65-W68 HydrophobicContact CE2-CZ3 4.46Å; F65-W68 PolarHBondContact O-N 2.58Å; F65-C69 PolarHBondContact O-N 3Å; F65-C69 PolarHBondContact O-SG 2.66Å; F65-I76 HydrophobicContact CE1-CG2 4.14Å
66I61Low62.7Low49 Ų4967 Ų6725%0.25139%0.393SS..Hα-helixtrans-62-43.4176.3-65.6159.8000111.1I23 T62 A63 W68 C69 T70 I76I23-I66 HydrophobicContact CD1-CD1 3.71Å; I23-I66 HydrophobicContact CG2-CG1 4.49Å; T62-I66 HydrophobicContact CG2-CD1 3.96Å; T62-I66 WeakPolarHBondContact O-CD1 3.39Å; T62-I66 WeakPolarHBondContact O-CG1 3.4Å; T62-I66 PolarHBondContact O-N 2.87Å; A63-I66 PolarHBondContact O-N 3.43Å; I66-W68 VanDerWaalsContact C-N 3.33Å; I66-W68 PolarHBondContact O-N 3.12Å; I66-C69 PolarHBondContact O-N 2.8Å; I66-T70 WeakPolarHBondContact O-CB 3.43Å; I66-T70 PolarHBondContact O-N 2.8Å; I66-T70 PolarHBondContact O-OG1 2.97Å; I66-I76 HydrophobicContact CG1-CD1 4.37Å; I66-I76 HydrophobicContact CG2-CD1 4.11Å
67A64.9Low61.7Low59 Ų5964.2 Ų64.249%0.48838%0.379SS..Hα-helixtrans-62-41.9178.600000111.5A63 E64 F65 T70 S71A63-A67 VanDerWaalsContact O-CB 3.28Å; A63-A67 WeakPolarHBondContact O-CB 3.31Å; A63-A67 PolarHBondContact O-N 2.85Å; E64-A67 PolarHBondContact O-N 3.04Å; F65-A67 PolarHBondContact O-N 3.2Å; A67-T70 PolarHBondContact O-N 3.22Å; A67-S71 WeakPolarHBondContact O-CB 3.28Å; A67-S71 PolarHBondContact O-N 2.99Å; A67-S71 PolarHBondContact O-OG 3.02Å
68W60.2Low60.3Low71 Ų7159.9 Ų59.927%0.26936%0.361SS..Hα-helixtrans-65.7-48.2176.6176.970.9000112.8E64 F65 I66 T70 S71 E72 I74 M145E64-W68 WeakPolarHBondContact O-CB 3.27Å; E64-W68 PolarHBondContact O-N 3.07Å; F65-W68 HydrophobicContact CE2-CE3 4.48Å; F65-W68 HydrophobicContact CE2-CZ3 4.46Å; F65-W68 PolarHBondContact O-N 2.58Å; I66-W68 VanDerWaalsContact C-N 3.33Å; I66-W68 PolarHBondContact O-N 3.12Å; W68-T70 VanDerWaalsContact C-N 3.25Å; W68-T70 PolarHBondContact O-N 3.39Å; W68-S71 PolarHBondContact O-N 3.33Å; W68-S71 PolarHBondContact O-OG 3.37Å; W68-E72 HydrophobicContact CZ2-CG 4.47Å; W68-E72 WeakPolarHBondContact O-CG 3.31Å; W68-E72 PolarHBondContact O-N 3.02Å; W68-I74 HydrophobicContact CH2-CD1 4.08Å; W68-I74 HydrophobicContact CZ2-CD1 4.24Å; W68-M145 HydrophobicContact CD2-CE 4.5Å; W68-M145 HydrophobicContact CH2-CE 3.99Å; W68-M145 HydrophobicContact CZ2-CE 3.72Å; W68-M145 HydrophobicContact CZ2-SD 4.07Å; W68-M145 HydrophobicContact CZ3-CE 4.49Å
69C54.8Low59.7Low3 Ų361.7 Ų61.72%0.0237%0.366CS..Hα-helixtrans-54.4-45.1173.1-74.80000111.1F65 I66 G73 I74 I76F65-C69 PolarHBondContact O-N 3Å; F65-C69 PolarHBondContact O-SG 2.66Å; I66-C69 PolarHBondContact O-N 2.8Å; C69-G73 PolarHBondContact O-N 2.89Å; C69-G73 VanDerWaalsContact O-N 3.11Å; C69-I74 CarbonylContact C-O 3.17Å; C69-I74 WeakPolarHBondContact CB-O 3.48Å; C69-I74 PolarHBondContact O-N 2.97Å; C69-I74 VanDerWaalsContact O-O 3.12Å; C69-I76 HydrophobicContact CB-CG1 3.73Å
70T62.8Low58.9Low103 Ų10358.3 Ų58.363%0.63236%0.36SS*.Hα-helixtrans-64.4-40.7178.7-54.10000112.4I66 A67 W68I66-T70 WeakPolarHBondContact O-CB 3.43Å; I66-T70 PolarHBondContact O-N 2.8Å; I66-T70 PolarHBondContact O-OG1 2.97Å; A67-T70 PolarHBondContact O-N 3.22Å; W68-T70 VanDerWaalsContact C-N 3.25Å; W68-T70 PolarHBondContact O-N 3.39Å
71S58.5Low58.7Low84 Ų8458.9 Ų58.959%0.58736%0.362SS*.Hα-helixtrans-74.3-33.8-178.263.30000113.8A67 W68 G73A67-S71 WeakPolarHBondContact O-CB 3.28Å; A67-S71 PolarHBondContact O-N 2.99Å; A67-S71 PolarHBondContact O-OG 3.02Å; W68-S71 PolarHBondContact O-N 3.33Å; W68-S71 PolarHBondContact O-OG 3.37Å; S71-G73 VanDerWaalsContact C-N 3.33Å
72E60.5Low58Low112 Ų11258.8 Ų58.852%0.52336%0.357SS..Hα-helixtrans-86.2-5.5177.8-59.6-59.7134.700112.8W68 I74W68-E72 HydrophobicContact CZ2-CG 4.47Å; W68-E72 WeakPolarHBondContact O-CG 3.31Å; W68-E72 PolarHBondContact O-N 3.02Å; E72-I74 VanDerWaalsContact C-N 3.25Å; E72-I74 HydrophobicContact CB-CD1 3.66Å; E72-I74 HydrophobicContact CB-CG1 3.78Å; E72-I74 HydrophobicContact CG-CD1 4.43Å; E72-I74 PolarHBondContact O-N 2.8Å
73G52Low57.6Low71 Ų7158 Ų5873%0.73235%0.352SS*.THydrogen-bonded Turntrans68.723.4-175.800000113.6C69 S71C69-G73 PolarHBondContact O-N 2.89Å; C69-G73 VanDerWaalsContact O-N 3.11Å; S71-G73 VanDerWaalsContact C-N 3.33Å
74I53.3Low57.3Low71 Ų7155.7 Ų55.736%0.36433%0.331SS..  trans-92.4133.4-179-59173.2000108.4W68 C69 E72W68-I74 HydrophobicContact CH2-CD1 4.08Å; W68-I74 HydrophobicContact CZ2-CD1 4.24Å; C69-I74 CarbonylContact C-O 3.17Å; C69-I74 WeakPolarHBondContact CB-O 3.48Å; C69-I74 PolarHBondContact O-N 2.97Å; C69-I74 VanDerWaalsContact O-O 3.12Å; E72-I74 VanDerWaalsContact C-N 3.25Å; E72-I74 HydrophobicContact CB-CD1 3.66Å; E72-I74 HydrophobicContact CB-CG1 3.78Å; E72-I74 HydrophobicContact CG-CD1 4.43Å; E72-I74 PolarHBondContact O-N 2.8Å
75G47.8Very low57.1Low40 Ų4049.2 Ų49.241%0.41230%0.3SS..  trans-60.3148.2175.700000112.1N77G75-N77 PolarHBondContact O-N 3.44Å
76I53.7Low57.7Low34 Ų3448.6 Ų48.617%0.17430%0.297CS..SBendtrans-82.867.8174-56.7166.7000108I23 F24 T25 F65 I66 C69I23-I76 HydrophobicContact CG2-CD1 4Å; I23-I76 HydrophobicContact CG2-CG2 3.83Å; F24-I76 WeakPolarHBondContact CA-O 3.47Å; F24-I76 HydrophobicContact CD1-CG2 3.68Å; F24-I76 HydrophobicContact CE1-CG2 4.09Å; T25-I76 PolarHBondContact N-O 2.91Å; T25-I76 VanDerWaalsContact N-O 3.15Å; F65-I76 HydrophobicContact CE1-CG2 4.14Å; I66-I76 HydrophobicContact CG1-CD1 4.37Å; I66-I76 HydrophobicContact CG2-CD1 4.11Å; C69-I76 HydrophobicContact CB-CG1 3.73Å
77N50.3Low58.4Low35 Ų3550.2 Ų50.219%0.18730%0.302CS..SBendtrans-156.6176-176.764.822.2000110.5T25 D26 G75 E79T25-N77 WeakPolarHBondContact OG1-CB 3.34Å; D26-N77 HydrophobicContact CB-CB 4.49Å; D26-N77 VanDerWaalsContact OD1-CA 3.28Å; D26-N77 WeakPolarHBondContact OD1-CA 3.38Å; D26-N77 WeakPolarHBondContact OD1-CB 3.45Å; G75-N77 PolarHBondContact O-N 3.44Å; N77-E79 PolarHBondContact O-N 3.25Å; N77-E79 WeakPolarHBondContact OD1-CB 3.44Å; N77-E79 PolarHBondContact OD1-N 3.3Å
78A49.5Very low58.9Low6 Ų652.2 Ų52.25%0.0530%0.3CS..SBendtrans-78.82176.400000113.8D26 G80 C81 V83 Y98 I125D26-A78 WeakPolarHBondContact OD2-CB 3.33Å; D26-A78 PolarHBondContact OD2-N 3.24Å; A78-G80 PolarHBondContact O-N 2.89Å; A78-C81 VanDerWaalsContact O-CB 3.31Å; A78-C81 WeakPolarHBondContact O-CB 3.23Å; A78-C81 PolarHBondContact O-N 3.09Å; A78-V83 HydrophobicContact CB-CG1 4.3Å; A78-Y98 VanDerWaalsContact C-CD1 3.43Å; A78-Y98 HydrophobicContact CB-CD1 3.62Å; A78-Y98 HydrophobicContact CB-CE1 3.94Å; A78-Y98 HydrophobicContact CB-CG 4.1Å; A78-Y98 WeakPolarHBondContact O-CD1 3.05Å; A78-I125 HydrophobicContact CB-CD1 3.85Å
79E55.6Low59.9Low93 Ų9352.7 Ų52.744%0.43531%0.314SS..THydrogen-bonded Turntrans-63.5128.9-168.9-163.6175.8175.200112.4N77 C81N77-E79 PolarHBondContact O-N 3.25Å; N77-E79 WeakPolarHBondContact OD1-CB 3.44Å; N77-E79 PolarHBondContact OD1-N 3.3Å; E79-C81 PolarHBondContact O-N 3.29Å; E79-C81 VanDerWaalsContact O-N 3.15Å
80G56.9Low61Low36 Ų3655.8 Ų55.837%0.37133%0.333SS..THydrogen-bonded Turntrans74.9-5.8-177.800000114.4A78 K97 Y98A78-G80 PolarHBondContact O-N 2.89Å; G80-K97 WeakPolarHBondContact O-CE 3.48Å; G80-Y98 WeakPolarHBondContact CA-O 3.23Å; G80-Y98 PolarHBondContact N-O 2.96Å
81C58.1Low61.2Low41 Ų4154.1 Ų54.128%0.27732%0.32SS..  trans-80.3153.5175.1-65.50000111.5A78 E79 K97 Y98 V128A78-C81 VanDerWaalsContact O-CB 3.31Å; A78-C81 WeakPolarHBondContact O-CB 3.23Å; A78-C81 PolarHBondContact O-N 3.09Å; E79-C81 PolarHBondContact O-N 3.29Å; E79-C81 VanDerWaalsContact O-N 3.15Å; C81-K97 WeakPolarHBondContact O-CA 3.39Å; C81-Y98 PolarHBondContact O-N 3.26Å; C81-V128 HydrophobicContact CB-CG1 3.7Å
82Y58.5Low61.2Low69 Ų6956.2 Ų56.227%0.27132%0.321SS..EExtended strand (participates in β ladder)trans-75.8140.9160.8-70-72.3000109.2F95 K97 L110 V129Y82-F95 AromaticContact CD1-CE1 3.94Å; Y82-F95 HydrophobicContact CD1-CE1 3.94Å; Y82-F95 AromaticContact CD1-CZ 3.67Å; Y82-F95 HydrophobicContact CD1-CZ 3.67Å; Y82-F95 HydrophobicContact CG-CE1 4.44Å; Y82-F95 HydrophobicContact CG-CE2 4.39Å; Y82-F95 AromaticContact CG-CZ 3.72Å; Y82-F95 HydrophobicContact CG-CZ 3.72Å; Y82-K97 HydrophobicContact CD1-CB 3.91Å; Y82-K97 HydrophobicContact CD1-CG 4.46Å; Y82-K97 HydrophobicContact CE1-CB 3.83Å; Y82-K97 HydrophobicContact CE1-CG 4.36Å; Y82-L110 HydrophobicContact CE1-CD2 3.54Å; Y82-L110 HydrophobicContact CE1-CG 4Å; Y82-L110 WeakPolarHBondContact OH-CD2 3.39Å; Y82-V129 PolarHBondContact O-N 3.13Å
83V58.6Low60.9Low0 Ų052.9 Ų52.90%031%0.312CS..EExtended strand (participates in β ladder)trans-136.1152.5-177.4-60.10000110.3A78 F95 K96 L107 I125 G127 V128A78-V83 HydrophobicContact CB-CG1 4.3Å; V83-F95 WeakPolarHBondContact O-CA 3.25Å; V83-K96 WeakPolarHBondContact CG2-O 3.1Å; V83-K96 PolarHBondContact N-O 2.92Å; V83-K96 PolarHBondContact O-N 3.09Å; V83-K96 VanDerWaalsContact O-O 3.07Å; V83-L107 HydrophobicContact CG2-CD2 3.52Å; V83-I125 HydrophobicContact CB-CD1 4.42Å; V83-I125 HydrophobicContact CB-CG1 4.26Å; V83-I125 HydrophobicContact CB-CG2 4.06Å; V83-I125 HydrophobicContact CG1-CD1 4.04Å; V83-I125 HydrophobicContact CG1-CG1 4.38Å; V83-I125 HydrophobicContact CG1-CG2 4.1Å; V83-I125 HydrophobicContact CG2-CD1 4.36Å; V83-I125 HydrophobicContact CG2-CG1 4.2Å; V83-G127 CarbonylContact C-O 3.58Å; V83-G127 VanDerWaalsContact CA-O 3.3Å; V83-G127 WeakPolarHBondContact CA-O 3.2Å; V83-V128 HydrophobicContact CG1-CG2 4.4Å
84I58.8Low61.1Low15 Ų1551.9 Ų51.98%0.07729%0.292CS..EExtended strand (participates in β ladder)trans-96.5117.1156.9-56.9166.5000107V6 L44 V48 A93 T94 F95 V126 G127 V129V6-I84 HydrophobicContact CG1-CD1 4.01Å; L44-I84 HydrophobicContact CD1-CB 4.48Å; L44-I84 HydrophobicContact CD1-CD1 4.2Å; L44-I84 HydrophobicContact CD1-CG2 3.63Å; L44-I84 HydrophobicContact CD2-CB 4.18Å; L44-I84 HydrophobicContact CD2-CD1 3.93Å; L44-I84 HydrophobicContact CD2-CG2 4.15Å; L44-I84 HydrophobicContact CG-CD1 4.39Å; V48-I84 HydrophobicContact CG2-CD1 4.35Å; I84-A93 HydrophobicContact CG2-CB 4.14Å; I84-T94 WeakPolarHBondContact CA-O 3.23Å; I84-F95 HydrophobicContact CG1-CD2 4.21Å; I84-V126 HydrophobicContact CB-CG2 4.19Å; I84-V126 HydrophobicContact CG2-CG2 3.82Å; I84-V126 WeakPolarHBondContact O-CG2 2.92Å; I84-V126 PolarHBondContact O-N 3.01Å; I84-G127 PolarHBondContact N-O 2.96Å; I84-G127 PolarHBondContact O-N 3.24Å; I84-V129 HydrophobicContact CD1-CG2 4.05Å; I84-V129 HydrophobicContact CG1-CG2 3.77Å
85A61.3Low61.4Low1 Ų152.3 Ų52.31%0.00829%0.291CS..EExtended strand (participates in β ladder)trans-102.6151.6172.700000110.4A93 T94 L107 E124A85-A93 CarbonylContact O-C 3.52Å; A85-A93 VanDerWaalsContact O-CA 3.26Å; A85-A93 WeakPolarHBondContact O-CA 3.28Å; A85-T94 HydrophobicContact CB-CG2 4.16Å; A85-T94 PolarHBondContact N-O 3.35Å; A85-T94 PolarHBondContact O-N 3.16Å; A85-L107 HydrophobicContact CB-CD1 3.39Å; A85-L107 HydrophobicContact CB-CD2 4.02Å; A85-L107 HydrophobicContact CB-CG 4.35Å; A85-E124 CarbonylContact C-O 3.53Å; A85-E124 WeakPolarHBondContact CA-O 3.2Å; A85-E124 WeakPolarHBondContact CB-O 3.48Å
86R74.7Confident62.3Low27 Ų2751 Ų5110%0.10227%0.274CS..EExtended strand (participates in β ladder)trans-122.9143.7175.4-178.3-179.266.2176.8-3.2110.1D40 N91 E92 C123 E124 V126D40-R86 VanDerWaalsContact CG-CZ 3.48Å; D40-R86 IonicContact OD1-CZ 3.23Å; D40-R86 IonicContact OD1-NH1 2.72Å; D40-R86 PolarHBondContact OD1-NH1 3.46Å; D40-R86 IonicContact OD1-NH2 2.82Å; D40-R86 IonicContact OD2-CZ 3.87Å; D40-R86 IonicContact OD2-NH1 3.11Å; D40-R86 PolarHBondContact OD2-NH1 3.31Å; D40-R86 IonicContact OD2-NH2 2.64Å; D40-R86 PolarHBondContact OD2-NH2 3.35Å; R86-N91 WeakPolarHBondContact CD-OD1 3.28Å; R86-E92 CarbonylContact C-O 3.42Å; R86-E92 VanDerWaalsContact CA-O 3.3Å; R86-E92 WeakPolarHBondContact CA-O 3.38Å; R86-E92 WeakPolarHBondContact CG-O 3.34Å; R86-C123 CarbonylContact O-C 3Å; R86-C123 WeakPolarHBondContact O-CA 3.23Å; R86-E124 HydrophobicContact CB-CG 4.32Å; R86-E124 IonicContact CZ-OE1 3.78Å; R86-E124 PolarHBondContact N-O 3.29Å; R86-E124 IonicContact NE-OE1 3.8Å; R86-E124 PolarHBondContact NE-OE1 2.87Å; R86-E124 IonicContact NH2-OE1 3.72Å; R86-E124 PolarHBondContact NH2-OE1 2.98Å; R86-E124 IonicContact NH2-OE2 3.39Å; R86-E124 PolarHBondContact NH2-OE2 2.91Å; R86-E124 PolarHBondContact O-N 2.86Å; R86-V126 HydrophobicContact CB-CG1 3.74Å; R86-V126 HydrophobicContact CB-CG2 4.07Å
87K76.1Confident62.9Low83 Ų8352.9 Ų52.936%0.36128%0.281SS..EExtended strand (participates in β ladder)trans-93.2122.1166.8-168.9167.9-172.9166.30109.7S89 T90 N91 E92 D122K87-S89 WeakPolarHBondContact CE-OG 3.31Å; K87-T90 HydrophobicContact CD-CG2 4.46Å; K87-N91 WeakPolarHBondContact O-CA 3.28Å; K87-N91 PolarHBondContact O-N 3.48Å; K87-E92 PolarHBondContact N-O 3.42Å; K87-D122 CarbonylContact C-O 3.55Å; K87-D122 VanDerWaalsContact CA-O 3.26Å; K87-D122 WeakPolarHBondContact CA-O 3.47Å; K87-D122 WeakPolarHBondContact CE-OD2 2.99Å; K87-D122 WeakPolarHBondContact CG-OD2 2.89Å; K87-D122 IonicContact NZ-OD2 3.86Å
88K75.1Confident63.7Low102 Ų10251.8 Ų51.844%0.44327%0.274SS..THydrogen-bonded Turntrans-65.1-45.6-173.5-64.2168.2-170.7164.80111T90 N121 D122 E124K88-T90 PolarHBondContact O-N 2.93Å; K88-N121 PolarHBondContact NZ-O 2.81Å; K88-D122 WeakPolarHBondContact CB-OD1 3.2Å; K88-D122 PolarHBondContact N-O 2.85Å; K88-D122 PolarHBondContact N-OD1 3.36Å; K88-E124 VanDerWaalsContact CG-OE1 3.25Å; K88-E124 WeakPolarHBondContact CG-OE1 3.19Å
89S80.8Confident65Low80 Ų8052.6 Ų52.656%0.55928%0.278SS*.THydrogen-bonded Turntrans-62.6-40.6-178.261.20000114.9K87 D122K87-S89 WeakPolarHBondContact CE-OG 3.31Å; S89-D122 VanDerWaalsContact CB-OD1 3.29Å; S89-D122 WeakPolarHBondContact CB-OD1 3.02Å; S89-D122 VanDerWaalsContact CB-OD2 3.31Å; S89-D122 WeakPolarHBondContact CB-OD2 3.42Å; S89-D122 PolarHBondContact N-OD1 2.99Å; S89-D122 PolarHBondContact OG-OD1 3.41Å; S89-D122 PolarHBondContact OG-OD2 3.46Å
90T77.4Confident65.9Low69 Ų6950.4 Ų50.442%0.42327%0.273SS..THydrogen-bonded Turntrans-100.1-11.5-179.765.40000113.5K87 K88 E92K87-T90 HydrophobicContact CD-CG2 4.46Å; K88-T90 PolarHBondContact O-N 2.93Å; T90-E92 WeakPolarHBondContact CB-OE2 3.46Å; T90-E92 PolarHBondContact O-N 2.83Å; T90-E92 VanDerWaalsContact O-N 3.14Å; T90-E92 WeakPolarHBondContact OG1-CB 3.45Å; T90-E92 WeakPolarHBondContact OG1-CG 3.2Å; T90-E92 PolarHBondContact OG1-N 3.36Å; T90-E92 PolarHBondContact OG1-OE2 2.91Å
91N67.5Low66.8Low68 Ų6854.3 Ų54.336%0.36428%0.281SS..  trans5616.7-168.8-17014.3000113.1R47 R86 K87R47-N91 PolarHBondContact NH1-O 3.13Å; R47-N91 PolarHBondContact NH2-O 3.41Å; R47-N91 PolarHBondContact NH2-OD1 3.45Å; R86-N91 WeakPolarHBondContact CD-OD1 3.28Å; K87-N91 WeakPolarHBondContact O-CA 3.28Å; K87-N91 PolarHBondContact O-N 3.48Å
92E58.4Low67.7Low128 Ų12861.6 Ų61.660%0.59831%0.314SS*.  trans-75.3148176.2-68.1170.3133.300110.8R86 K87 T90R86-E92 CarbonylContact C-O 3.42Å; R86-E92 VanDerWaalsContact CA-O 3.3Å; R86-E92 WeakPolarHBondContact CA-O 3.38Å; R86-E92 WeakPolarHBondContact CG-O 3.34Å; K87-E92 PolarHBondContact N-O 3.42Å; T90-E92 WeakPolarHBondContact CB-OE2 3.46Å; T90-E92 PolarHBondContact O-N 2.83Å; T90-E92 VanDerWaalsContact O-N 3.14Å; T90-E92 WeakPolarHBondContact OG1-CB 3.45Å; T90-E92 WeakPolarHBondContact OG1-CG 3.2Å; T90-E92 PolarHBondContact OG1-N 3.36Å; T90-E92 PolarHBondContact OG1-OE2 2.91Å
93A54.1Low68.5Low41 Ų4162 Ų6234%0.33934%0.338SS..EExtended strand (participates in β ladder)trans-122.4144.5179.900000110.5L44 R47 I84 A85L44-A93 HydrophobicContact CD1-CB 4.37Å; R47-A93 VanDerWaalsContact NH1-CB 3.27Å; R47-A93 VanDerWaalsContact NH1-N 3.15Å; I84-A93 HydrophobicContact CG2-CB 4.14Å; A85-A93 CarbonylContact O-C 3.52Å; A85-A93 VanDerWaalsContact O-CA 3.26Å; A85-A93 WeakPolarHBondContact O-CA 3.28Å
94T57.6Low69.5Low51 Ų5166.8 Ų66.831%0.31336%0.359SS..EExtended strand (participates in β ladder)trans-135.6145-177.4-164.30000110.6I84 A85 K96 L107I84-T94 WeakPolarHBondContact CA-O 3.23Å; A85-T94 HydrophobicContact CB-CG2 4.16Å; A85-T94 PolarHBondContact N-O 3.35Å; A85-T94 PolarHBondContact O-N 3.16Å; T94-K96 HydrophobicContact CG2-CD 3.83Å; T94-K96 HydrophobicContact CG2-CG 4.1Å; T94-K96 WeakPolarHBondContact OG1-CE 3.14Å; T94-L107 HydrophobicContact CG2-CD1 4.45Å
95F59.4Low70.4Confident79 Ų7967 Ų6735%0.34636%0.363SS..EExtended strand (participates in β ladder)trans-103.9116.6176.2173.5-91.8000109.6Y82 V83 I84 L110 V129Y82-F95 AromaticContact CD1-CE1 3.94Å; Y82-F95 HydrophobicContact CD1-CE1 3.94Å; Y82-F95 AromaticContact CD1-CZ 3.67Å; Y82-F95 HydrophobicContact CD1-CZ 3.67Å; Y82-F95 HydrophobicContact CG-CE1 4.44Å; Y82-F95 HydrophobicContact CG-CE2 4.39Å; Y82-F95 AromaticContact CG-CZ 3.72Å; Y82-F95 HydrophobicContact CG-CZ 3.72Å; V83-F95 WeakPolarHBondContact O-CA 3.25Å; I84-F95 HydrophobicContact CG1-CD2 4.21Å; F95-L110 HydrophobicContact CD1-CD1 4.18Å; F95-L110 HydrophobicContact CE1-CD1 3.55Å; F95-L110 HydrophobicContact CE1-CG 3.93Å; F95-V129 HydrophobicContact CD2-CG2 4.01Å; F95-V129 HydrophobicContact CE2-CB 3.74Å; F95-V129 HydrophobicContact CE2-CG1 3.76Å; F95-V129 HydrophobicContact CE2-CG2 3.72Å; F95-V129 HydrophobicContact CZ-CG1 4.47Å
96K66.3Low71.5Confident12 Ų1268.9 Ų68.95%0.05237%0.371CS..EExtended strand (participates in β ladder)trans-150.2163.1-172.1-66.6-175.2171.3-120.90110.4V83 T94 L107 P115 I117V83-K96 WeakPolarHBondContact CG2-O 3.1Å; V83-K96 PolarHBondContact N-O 2.92Å; V83-K96 PolarHBondContact O-N 3.09Å; V83-K96 VanDerWaalsContact O-O 3.07Å; T94-K96 HydrophobicContact CG2-CD 3.83Å; T94-K96 HydrophobicContact CG2-CG 4.1Å; T94-K96 WeakPolarHBondContact OG1-CE 3.14Å; K96-L107 HydrophobicContact CB-CB 3.84Å; K96-L107 HydrophobicContact CB-CD2 4.24Å; K96-L107 HydrophobicContact CD-CB 3.52Å; K96-L107 HydrophobicContact CG-CB 4.28Å; K96-P115 PolarHBondContact NZ-O 2.98Å; K96-I117 HydrophobicContact CD-CD1 4.25Å
97K66.4Low71.6Confident74 Ų7467.7 Ų67.732%0.32237%0.367SS..EExtended strand (participates in β ladder)trans-84.1127.2169.7-170.8175.9-172.7173.90109.3G80 C81 Y82 I99 L107 K108G80-K97 WeakPolarHBondContact O-CE 3.48Å; C81-K97 WeakPolarHBondContact O-CA 3.39Å; Y82-K97 HydrophobicContact CD1-CB 3.91Å; Y82-K97 HydrophobicContact CD1-CG 4.46Å; Y82-K97 HydrophobicContact CE1-CB 3.83Å; Y82-K97 HydrophobicContact CE1-CG 4.36Å; K97-I99 HydrophobicContact CG-CG2 4.33Å; K97-L107 CarbonylContact O-C 3.6Å; K97-L107 WeakPolarHBondContact O-CA 3.36Å; K97-K108 HydrophobicContact CB-CB 4.42Å; K97-K108 PolarHBondContact N-O 3.37Å; K97-K108 PolarHBondContact O-N 3.33Å
98Y67.1Low71.7Confident13 Ų1368.6 Ų68.65%0.05137%0.371CS..EExtended strand (participates in β ladder)trans-80.9135.4172.2-178.8-99.9000109.9V29 A78 G80 C81 A105 F106 L107 M119 I125V29-Y98 HydrophobicContact CG1-CE2 4.4Å; A78-Y98 VanDerWaalsContact C-CD1 3.43Å; A78-Y98 HydrophobicContact CB-CD1 3.62Å; A78-Y98 HydrophobicContact CB-CE1 3.94Å; A78-Y98 HydrophobicContact CB-CG 4.1Å; A78-Y98 WeakPolarHBondContact O-CD1 3.05Å; G80-Y98 WeakPolarHBondContact CA-O 3.23Å; G80-Y98 PolarHBondContact N-O 2.96Å; C81-Y98 PolarHBondContact O-N 3.26Å; Y98-A105 HydrophobicContact CE2-CB 3.58Å; Y98-A105 WeakPolarHBondContact OH-CB 3.36Å; Y98-F106 WeakPolarHBondContact CA-O 3.36Å; Y98-L107 HydrophobicContact CD2-CD2 4.29Å; Y98-M119 HydrophobicContact CD2-CE 3.63Å; Y98-M119 HydrophobicContact CE2-CE 3.68Å; Y98-I125 HydrophobicContact CD2-CD1 3.64Å; Y98-I125 HydrophobicContact CE2-CD1 3.89Å; Y98-I125 HydrophobicContact CG-CD1 4.01Å
99I76.2Confident71.1Confident23 Ų2364.6 Ų64.612%0.11836%0.356CS..EExtended strand (participates in β ladder)trans-140147.6178.161.9176.1000109.4K97 F106 K108K97-I99 HydrophobicContact CG-CG2 4.33Å; I99-F106 HydrophobicContact CD1-CB 4.21Å; I99-F106 HydrophobicContact CG1-CB 3.8Å; I99-F106 PolarHBondContact N-O 2.81Å; I99-F106 PolarHBondContact O-N 3.45Å; I99-K108 HydrophobicContact CD1-CB 4.08Å; I99-K108 HydrophobicContact CD1-CD 4.15Å
100S74.4Confident69.5Low47 Ų4766 Ų6633%0.32936%0.356SS..EExtended strand (participates in β ladder)trans-112.7124.3171.2-169.80000108.9
101E77Confident68.3Low117 Ų11765.6 Ų65.655%0.54735%0.352SS..EExtended strand (participates in β ladder)trans-133.8124.1175.2-70.4-173.4-163.200109.3G103 K104 F106E101-G103 VanDerWaalsContact C-N 3.27Å; E101-G103 PolarHBondContact O-N 2.96Å; E101-K104 PolarHBondContact N-O 2.76Å; E101-K104 PolarHBondContact O-N 2.64Å; E101-F106 HydrophobicContact CB-CD2 4.45Å; E101-F106 HydrophobicContact CB-CE2 4.15Å
102M76.2Confident68.2Low195 Ų19568.3 Ų68.396%0.96137%0.373SS*.THydrogen-bonded Turntrans53.536.8177.6-59.3-64.7-178.400114.7K104M102-K104 VanDerWaalsContact C-N 3.26Å; M102-K104 PolarHBondContact O-N 2.85Å
103G75.1Confident68.2Low77 Ų7770.3 Ų70.379%0.79438%0.382SS*.THydrogen-bonded Turntrans7610.3-179.200000114.6E101E101-G103 VanDerWaalsContact C-N 3.27Å; E101-G103 PolarHBondContact O-N 2.96Å
104K79.6Confident68.6Low100 Ų10075.5 Ų75.544%0.43539%0.394SS..EExtended strand (participates in β ladder)trans-111.3135.7169.5-75.1170.9166.5-980109.9E101 M102 F106 E118E101-K104 PolarHBondContact N-O 2.76Å; E101-K104 PolarHBondContact O-N 2.64Å; M102-K104 VanDerWaalsContact C-N 3.26Å; M102-K104 PolarHBondContact O-N 2.85Å; K104-F106 HydrophobicContact CB-CD2 4.35Å; K104-F106 HydrophobicContact CB-CE2 3.47Å; K104-F106 VanDerWaalsContact CB-CE2 3.47Å; K104-F106 HydrophobicContact CB-CZ 3.58Å; K104-F106 HydrophobicContact CD-CZ 3.98Å; K104-F106 HydrophobicContact CG-CZ 4.43Å; K104-F106 WeakPolarHBondContact O-CD2 3.13Å; K104-F106 WeakPolarHBondContact O-CE2 3Å; K104-E118 VanDerWaalsContact NZ-CD 3.33Å; K104-E118 IonicContact NZ-OE1 2.59Å; K104-E118 PolarHBondContact NZ-OE1 3.49Å; K104-E118 IonicContact NZ-OE2 3.34Å; K104-E118 PolarHBondContact NZ-OE2 2.82Å
105A77.8Confident69.5Low20 Ų2077.5 Ų77.517%0.16541%0.408CS..EExtended strand (participates in β ladder)trans-90.2141.3174.100000111.1Y98 M119Y98-A105 HydrophobicContact CE2-CB 3.58Å; Y98-A105 WeakPolarHBondContact OH-CB 3.36Å; A105-M119 HydrophobicContact CB-CB 3.72Å; A105-M119 HydrophobicContact CB-CG 4.46Å; A105-M119 WeakPolarHBondContact O-CB 2.9Å; A105-M119 PolarHBondContact O-N 2.8Å
106F84.2Confident70.7Confident40 Ų4078.1 Ų78.118%0.17541%0.414CS..EExtended strand (participates in β ladder)trans-139.7155.4179.4-54.7-92000112.6Y98 I99 E101 K104 I116 I117 E118Y98-F106 WeakPolarHBondContact CA-O 3.36Å; I99-F106 HydrophobicContact CD1-CB 4.21Å; I99-F106 HydrophobicContact CG1-CB 3.8Å; I99-F106 PolarHBondContact N-O 2.81Å; I99-F106 PolarHBondContact O-N 3.45Å; E101-F106 HydrophobicContact CB-CD2 4.45Å; E101-F106 HydrophobicContact CB-CE2 4.15Å; K104-F106 HydrophobicContact CB-CD2 4.35Å; K104-F106 HydrophobicContact CB-CE2 3.47Å; K104-F106 VanDerWaalsContact CB-CE2 3.47Å; K104-F106 HydrophobicContact CB-CZ 3.58Å; K104-F106 HydrophobicContact CD-CZ 3.98Å; K104-F106 HydrophobicContact CG-CZ 4.43Å; K104-F106 WeakPolarHBondContact O-CD2 3.13Å; K104-F106 WeakPolarHBondContact O-CE2 3Å; F106-I116 HydrophobicContact CB-CG2 3.72Å; F106-I116 HydrophobicContact CD1-CG2 4.07Å; F106-I116 HydrophobicContact CG-CG2 4.22Å; F106-I117 CarbonylContact C-O 3.47Å; F106-I117 WeakPolarHBondContact CA-O 3.32Å; F106-E118 HydrophobicContact CD1-CB 3.94Å; F106-E118 HydrophobicContact CD1-CG 4.14Å; F106-E118 HydrophobicContact CE1-CB 3.99Å; F106-E118 HydrophobicContact CE1-CG 3.9Å
107L77.7Confident71.5Confident3 Ų380.6 Ų80.62%0.01643%0.427CS..EExtended strand (participates in β ladder)trans-110.2102174.2-65.5171.5000109.9V83 A85 T94 K96 K97 Y98 I116 I117 M119V83-L107 HydrophobicContact CG2-CD2 3.52Å; A85-L107 HydrophobicContact CB-CD1 3.39Å; A85-L107 HydrophobicContact CB-CD2 4.02Å; A85-L107 HydrophobicContact CB-CG 4.35Å; T94-L107 HydrophobicContact CG2-CD1 4.45Å; K96-L107 HydrophobicContact CB-CB 3.84Å; K96-L107 HydrophobicContact CB-CD2 4.24Å; K96-L107 HydrophobicContact CD-CB 3.52Å; K96-L107 HydrophobicContact CG-CB 4.28Å; K97-L107 CarbonylContact O-C 3.6Å; K97-L107 WeakPolarHBondContact O-CA 3.36Å; Y98-L107 HydrophobicContact CD2-CD2 4.29Å; L107-I116 WeakPolarHBondContact O-CA 3.37Å; L107-I117 HydrophobicContact CB-CB 4.35Å; L107-I117 PolarHBondContact N-O 3.1Å; L107-I117 PolarHBondContact O-N 2.9Å; L107-I117 VanDerWaalsContact O-N 3.09Å; L107-M119 HydrophobicContact CD1-CE 3.94Å; L107-M119 HydrophobicContact CD1-SD 4.08Å; L107-M119 HydrophobicContact CD2-CE 3.63Å; L107-M119 HydrophobicContact CG-CE 3.75Å; L107-M119 HydrophobicContact CG-SD 4.39Å
108K76.9Confident72.6Confident101 Ų10181.4 Ų81.444%0.43943%0.432SS..EExtended strand (participates in β ladder)trans-88120179.3-176.5170.2-176.5168.40110.7K97 I99 I116K97-K108 HydrophobicContact CB-CB 4.42Å; K97-K108 PolarHBondContact N-O 3.37Å; K97-K108 PolarHBondContact O-N 3.33Å; I99-K108 HydrophobicContact CD1-CB 4.08Å; I99-K108 HydrophobicContact CD1-CD 4.15Å; K108-I116 HydrophobicContact CG-CD1 4.48Å; K108-I116 HydrophobicContact CG-CG1 4.43Å
109P63.1Low73.3Confident19 Ų1982.2 Ų82.212%0.12344%0.436CS..  trans-71154.118027.3-30.6000112.7Y114P109-Y114 WeakPolarHBondContact CG-O 3.34Å
110L47.3Very low73.8Confident108 Ų10885 Ų8557%0.56545%0.451SS*.SBendtrans-61.2-42.3170.7-91.2-176.9000112.6Y82 F95 P112Y82-L110 HydrophobicContact CE1-CD2 3.54Å; Y82-L110 HydrophobicContact CE1-CG 4Å; Y82-L110 WeakPolarHBondContact OH-CD2 3.39Å; F95-L110 HydrophobicContact CD1-CD1 4.18Å; F95-L110 HydrophobicContact CE1-CD1 3.55Å; F95-L110 HydrophobicContact CE1-CG 3.93Å; L110-P112 WeakPolarHBondContact O-CD 3.47Å
111N52.9Low74.3Confident62 Ų6290 Ų9033%0.33248%0.475SS..SBendtrans-88.5116.5175.6178.1-7.8000109.1Q113 Y114N111-Q113 PolarHBondContact ND2-OE1 3.24Å; N111-Q113 VanDerWaalsContact ND2-OE1 3.16Å; N111-Q113 PolarHBondContact O-N 2.92Å; N111-Q113 WeakPolarHBondContact OD1-CB 3.44Å; N111-Q113 WeakPolarHBondContact OD1-CG 3.4Å; N111-Q113 PolarHBondContact OD1-N 3.4Å; N111-Y114 HydrophobicContact CB-CD2 3.83Å; N111-Y114 HydrophobicContact CB-CE2 4.26Å; N111-Y114 PolarHBondContact O-N 3.16Å; N111-Y114 VanDerWaalsContact O-N 3.12Å
112P65.3Low74.6Confident124 Ų12486.5 Ų86.581%0.80546%0.46SS*.THydrogen-bonded Turntrans-61.2-14.5-179.5-23.835000115.6L110 Y114L110-P112 WeakPolarHBondContact O-CD 3.47Å; P112-Y114 VanDerWaalsContact C-N 3.26Å; P112-Y114 PolarHBondContact O-N 3.36Å
113Q57.4Low74.6Confident170 Ų17078 Ų7879%0.79442%0.419SS*.THydrogen-bonded Turntrans-73-17.6176.4-62.8176.5-45.900113.3N111N111-Q113 PolarHBondContact ND2-OE1 3.24Å; N111-Q113 VanDerWaalsContact ND2-OE1 3.16Å; N111-Q113 PolarHBondContact O-N 2.92Å; N111-Q113 WeakPolarHBondContact OD1-CB 3.44Å; N111-Q113 WeakPolarHBondContact OD1-CG 3.4Å; N111-Q113 PolarHBondContact OD1-N 3.4Å
114Y61.8Low74.6Confident151 Ų15174.9 Ų74.959%0.59238%0.384SS*.SBendtrans-90.9149.5177.5-73.2-98.2000110.5P109 N111 P112P109-Y114 WeakPolarHBondContact CG-O 3.34Å; N111-Y114 HydrophobicContact CB-CD2 3.83Å; N111-Y114 HydrophobicContact CB-CE2 4.26Å; N111-Y114 PolarHBondContact O-N 3.16Å; N111-Y114 VanDerWaalsContact O-N 3.12Å; P112-Y114 VanDerWaalsContact C-N 3.26Å; P112-Y114 PolarHBondContact O-N 3.36Å
115P77Confident74.1Confident92 Ų9270.2 Ų70.260%0.59736%0.364SS*.PPolyproline II helixtrans-68.1146179.427.4-34.6000112.1K96K96-P115 PolarHBondContact NZ-O 2.98Å
116I84.7Confident73Confident92 Ų9269.5 Ų69.547%0.47236%0.357SS..PPolyproline II helixtrans-66139.7159.3-58.7178.3000107.5F106 L107 K108F106-I116 HydrophobicContact CB-CG2 3.72Å; F106-I116 HydrophobicContact CD1-CG2 4.07Å; F106-I116 HydrophobicContact CG-CG2 4.22Å; L107-I116 WeakPolarHBondContact O-CA 3.37Å; K108-I116 HydrophobicContact CG-CD1 4.48Å; K108-I116 HydrophobicContact CG-CG1 4.43Å
117I84.1Confident71.3Confident64 Ų6468 Ų6833%0.32835%0.352SS..EExtended strand (participates in β ladder)trans-112.6130.9177.7-58.9174.4000107.3K96 F106 L107K96-I117 HydrophobicContact CD-CD1 4.25Å; F106-I117 CarbonylContact C-O 3.47Å; F106-I117 WeakPolarHBondContact CA-O 3.32Å; L107-I117 HydrophobicContact CB-CB 4.35Å; L107-I117 PolarHBondContact N-O 3.1Å; L107-I117 PolarHBondContact O-N 2.9Å; L107-I117 VanDerWaalsContact O-N 3.09Å
118E88.6Confident70.1Confident92 Ų9270 Ų7043%0.4337%0.365SS..EExtended strand (participates in β ladder)trans-73138171-172.3169.5167.500109.5K104 F106 D120K104-E118 VanDerWaalsContact NZ-CD 3.33Å; K104-E118 IonicContact NZ-OE1 2.59Å; K104-E118 PolarHBondContact NZ-OE1 3.49Å; K104-E118 IonicContact NZ-OE2 3.34Å; K104-E118 PolarHBondContact NZ-OE2 2.82Å; F106-E118 HydrophobicContact CD1-CB 3.94Å; F106-E118 HydrophobicContact CD1-CG 4.14Å; F106-E118 HydrophobicContact CE1-CB 3.99Å; F106-E118 HydrophobicContact CE1-CG 3.9Å; E118-D120 PolarHBondContact O-N 3.44Å; E118-D120 VanDerWaalsContact O-N 3.12Å
119M82.5Confident68.6Low30 Ų3065.8 Ų65.815%0.14835%0.348CS..  trans-79.893.7177.2-167.177.681.800108.9Y98 A105 L107 C123 I125Y98-M119 HydrophobicContact CD2-CE 3.63Å; Y98-M119 HydrophobicContact CE2-CE 3.68Å; A105-M119 HydrophobicContact CB-CB 3.72Å; A105-M119 HydrophobicContact CB-CG 4.46Å; A105-M119 WeakPolarHBondContact O-CB 2.9Å; A105-M119 PolarHBondContact O-N 2.8Å; L107-M119 HydrophobicContact CD1-CE 3.94Å; L107-M119 HydrophobicContact CD1-SD 4.08Å; L107-M119 HydrophobicContact CD2-CE 3.63Å; L107-M119 HydrophobicContact CG-CE 3.75Å; L107-M119 HydrophobicContact CG-SD 4.39Å; M119-C123 HydrophobicContact CG-CB 4.28Å; M119-C123 HydrophobicContact SD-CB 3.4Å; M119-C123 WeakPolarHBondContact SD-CB 3.13Å; M119-I125 HydrophobicContact CE-CD1 3.86Å; M119-I125 HydrophobicContact CE-CG1 3.69Å
120D86.7Confident67.7Low80 Ų8068 Ų6843%0.42836%0.361SS..  trans-91.1176172.966.318.1000111.8E118 D122 C123E118-D120 PolarHBondContact O-N 3.44Å; E118-D120 VanDerWaalsContact O-N 3.12Å; D120-D122 PolarHBondContact O-N 3.35Å; D120-D122 VanDerWaalsContact O-N 3.08Å; D120-D122 WeakPolarHBondContact OD1-CA 3.38Å; D120-D122 WeakPolarHBondContact OD1-CB 3.23Å; D120-D122 PolarHBondContact OD1-N 3.27Å; D120-C123 PolarHBondContact O-N 3.06Å; D120-C123 PolarHBondContact OD1-N 3.22Å; D120-C123 VanDerWaalsContact OD1-N 3.16Å; D120-C123 PolarHBondContact OD1-SG 3.05Å
121N83.8Confident67.3Low154 Ų15466 Ų6682%0.82435%0.351SS*.THydrogen-bonded Turntrans-61.7-17.5-179.7-64.2-18.7000114K88 C123K88-N121 PolarHBondContact NZ-O 2.81Å; N121-C123 VanDerWaalsContact C-N 3.34Å
122D84.4Confident66.2Low43 Ų4365.3 Ų65.323%0.2335%0.354CS..THydrogen-bonded Turntrans-87.3-6.2175.9-167.833.2000111.8K87 K88 S89 D120K87-D122 CarbonylContact C-O 3.55Å; K87-D122 VanDerWaalsContact CA-O 3.26Å; K87-D122 WeakPolarHBondContact CA-O 3.47Å; K87-D122 WeakPolarHBondContact CE-OD2 2.99Å; K87-D122 WeakPolarHBondContact CG-OD2 2.89Å; K87-D122 IonicContact NZ-OD2 3.86Å; K88-D122 WeakPolarHBondContact CB-OD1 3.2Å; K88-D122 PolarHBondContact N-O 2.85Å; K88-D122 PolarHBondContact N-OD1 3.36Å; S89-D122 VanDerWaalsContact CB-OD1 3.29Å; S89-D122 WeakPolarHBondContact CB-OD1 3.02Å; S89-D122 VanDerWaalsContact CB-OD2 3.31Å; S89-D122 WeakPolarHBondContact CB-OD2 3.42Å; S89-D122 PolarHBondContact N-OD1 2.99Å; S89-D122 PolarHBondContact OG-OD1 3.41Å; S89-D122 PolarHBondContact OG-OD2 3.46Å; D120-D122 PolarHBondContact O-N 3.35Å; D120-D122 VanDerWaalsContact O-N 3.08Å; D120-D122 WeakPolarHBondContact OD1-CA 3.38Å; D120-D122 WeakPolarHBondContact OD1-CB 3.23Å; D120-D122 PolarHBondContact OD1-N 3.27Å
123C75.2Confident64.4Low16 Ų1661.5 Ų61.511%0.10833%0.33CS..EExtended strand (participates in β ladder)trans-107148.2173.9-600000111.3R86 M119 D120 N121R86-C123 CarbonylContact O-C 3Å; R86-C123 WeakPolarHBondContact O-CA 3.23Å; M119-C123 HydrophobicContact CG-CB 4.28Å; M119-C123 HydrophobicContact SD-CB 3.4Å; M119-C123 WeakPolarHBondContact SD-CB 3.13Å; D120-C123 PolarHBondContact O-N 3.06Å; D120-C123 PolarHBondContact OD1-N 3.22Å; D120-C123 VanDerWaalsContact OD1-N 3.16Å; D120-C123 PolarHBondContact OD1-SG 3.05Å; N121-C123 VanDerWaalsContact C-N 3.34Å
124E75Confident62.9Low11 Ų1157.4 Ų57.45%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-148.8159.2174.377.9-149.8122.300111A85 R86 K88 V126A85-E124 CarbonylContact C-O 3.53Å; A85-E124 WeakPolarHBondContact CA-O 3.2Å; A85-E124 WeakPolarHBondContact CB-O 3.48Å; R86-E124 HydrophobicContact CB-CG 4.32Å; R86-E124 IonicContact CZ-OE1 3.78Å; R86-E124 PolarHBondContact N-O 3.29Å; R86-E124 IonicContact NE-OE1 3.8Å; R86-E124 PolarHBondContact NE-OE1 2.87Å; R86-E124 IonicContact NH2-OE1 3.72Å; R86-E124 PolarHBondContact NH2-OE1 2.98Å; R86-E124 IonicContact NH2-OE2 3.39Å; R86-E124 PolarHBondContact NH2-OE2 2.91Å; R86-E124 PolarHBondContact O-N 2.86Å; K88-E124 VanDerWaalsContact CG-OE1 3.25Å; K88-E124 WeakPolarHBondContact CG-OE1 3.19Å; E124-V126 HydrophobicContact CG-CG1 3.9Å
125I68.9Low61.4Low3 Ų357.4 Ų57.42%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-93.2115173.3-68.9166.1000108.8V29 A78 V83 Y98 M119V29-I125 HydrophobicContact CB-CB 4.26Å; V29-I125 HydrophobicContact CB-CD1 4.04Å; V29-I125 HydrophobicContact CB-CG1 4.28Å; V29-I125 HydrophobicContact CG1-CD1 4.31Å; V29-I125 HydrophobicContact CG2-CB 3.99Å; V29-I125 HydrophobicContact CG2-CD1 3.84Å; V29-I125 HydrophobicContact CG2-CG1 4.29Å; V29-I125 PolarHBondContact O-N 2.69Å; A78-I125 HydrophobicContact CB-CD1 3.85Å; V83-I125 HydrophobicContact CB-CD1 4.42Å; V83-I125 HydrophobicContact CB-CG1 4.26Å; V83-I125 HydrophobicContact CB-CG2 4.06Å; V83-I125 HydrophobicContact CG1-CD1 4.04Å; V83-I125 HydrophobicContact CG1-CG1 4.38Å; V83-I125 HydrophobicContact CG1-CG2 4.1Å; V83-I125 HydrophobicContact CG2-CD1 4.36Å; V83-I125 HydrophobicContact CG2-CG1 4.2Å; Y98-I125 HydrophobicContact CD2-CD1 3.64Å; Y98-I125 HydrophobicContact CE2-CD1 3.89Å; Y98-I125 HydrophobicContact CG-CD1 4.01Å; M119-I125 HydrophobicContact CE-CD1 3.86Å; M119-I125 HydrophobicContact CE-CG1 3.69Å
126V56.6Low59Low5 Ų561.5 Ų61.53%0.0333%0.333CS..EExtended strand (participates in β ladder)trans-95.4-4.6177.6-70.10000112.8L44 I84 R86 E124L44-V126 HydrophobicContact CD1-CG2 4.3Å; L44-V126 HydrophobicContact CD2-CB 4.11Å; L44-V126 HydrophobicContact CD2-CG2 3.68Å; L44-V126 HydrophobicContact CG-CG2 4.44Å; I84-V126 HydrophobicContact CB-CG2 4.19Å; I84-V126 HydrophobicContact CG2-CG2 3.82Å; I84-V126 WeakPolarHBondContact O-CG2 2.92Å; I84-V126 PolarHBondContact O-N 3.01Å; R86-V126 HydrophobicContact CB-CG1 3.74Å; R86-V126 HydrophobicContact CB-CG2 4.07Å; E124-V126 HydrophobicContact CG-CG1 3.9Å
127G48.1Very low56.3Low7 Ų760.4 Ų60.47%0.07233%0.334CS..EExtended strand (participates in β ladder)trans-179.4144.3173.300000113.9V83 I84V83-G127 CarbonylContact C-O 3.58Å; V83-G127 VanDerWaalsContact CA-O 3.3Å; V83-G127 WeakPolarHBondContact CA-O 3.2Å; I84-G127 PolarHBondContact N-O 2.96Å; I84-G127 PolarHBondContact O-N 3.24Å
128V52Low53.6Low45 Ų4558.8 Ų58.827%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-92.6131.9168.2-176.40000108.7C81 V83C81-V128 HydrophobicContact CB-CG1 3.7Å; V83-V128 HydrophobicContact CG1-CG2 4.4Å
129V45Very low50.7Low14 Ų1456.5 Ų56.59%0.08532%0.324CS..EExtended strand (participates in β ladder)trans-102.1115-177.2179.50000110.9V6 G7 Y82 I84 F95V6-V129 HydrophobicContact CG1-CB 4.42Å; V6-V129 HydrophobicContact CG1-CG1 3.92Å; V6-V129 HydrophobicContact CG1-CG2 3.7Å; G7-V129 WeakPolarHBondContact O-CA 3.33Å; Y82-V129 PolarHBondContact O-N 3.13Å; I84-V129 HydrophobicContact CD1-CG2 4.05Å; I84-V129 HydrophobicContact CG1-CG2 3.77Å; F95-V129 HydrophobicContact CD2-CG2 4.01Å; F95-V129 HydrophobicContact CE2-CB 3.74Å; F95-V129 HydrophobicContact CE2-CG1 3.76Å; F95-V129 HydrophobicContact CE2-CG2 3.72Å; F95-V129 HydrophobicContact CZ-CG1 4.47Å
130V45.2Very low48.1Very low65 Ų6555.9 Ų55.939%0.39433%0.326SS..  trans-83.9121.3163-172.40000107.4
131D38.9Very low45.3Very low66 Ų6658 Ų5835%0.35334%0.337SS..  trans-73136.4-174.1-161.4-10.3000111.7S133D131-S133 VanDerWaalsContact OD1-CB 3.29Å; D131-S133 WeakPolarHBondContact OD1-CB 2.91Å; D131-S133 PolarHBondContact OD1-N 3.18Å; D131-S133 VanDerWaalsContact OD1-N 3.14Å; D131-S133 PolarHBondContact OD1-OG 2.64Å; D131-S133 PolarHBondContact OD2-OG 3.04Å
132A28.2Very low42.6Very low48 Ų4852.5 Ų52.540%0.39731%0.312SS..  trans-121.834.4-177.200000111.2A5A5-A132 HydrophobicContact CB-CB 4.5Å
133S28.6Very low40.1Very low43 Ų4357.6 Ų57.630%0.30133%0.328SS..  trans-106.440.1-17385.80000115.8M1 D131M1-S133 WeakPolarHBondContact CE-O 3.34Å; D131-S133 VanDerWaalsContact OD1-CB 3.29Å; D131-S133 WeakPolarHBondContact OD1-CB 2.91Å; D131-S133 PolarHBondContact OD1-N 3.18Å; D131-S133 VanDerWaalsContact OD1-N 3.14Å; D131-S133 PolarHBondContact OD1-OG 2.64Å; D131-S133 PolarHBondContact OD2-OG 3.04Å
134D26.7Very low38Very low85 Ų8559.2 Ų59.246%0.45534%0.336SS..  trans-159.6122.6145.1-134.5-20.6000111.8E136 S137 C138 A139D134-E136 PolarHBondContact O-N 3.21Å; D134-S137 PolarHBondContact O-N 3.1Å; D134-C138 CarbonylContact O-C 3.47Å; D134-C138 WeakPolarHBondContact O-CA 3.05Å; D134-C138 VanDerWaalsContact O-CB 3.32Å; D134-C138 WeakPolarHBondContact O-CB 3.43Å; D134-C138 PolarHBondContact O-N 3.44Å; D134-A139 PolarHBondContact O-N 2.65Å
135I28.5Very low36Very low150 Ų15062.2 Ų62.277%0.76935%0.351SS*.THydrogen-bonded Turntrans-77.80.3-172.4-98.2171.5000113.9A139I135-A139 WeakPolarHBondContact O-CB 3.27Å
136E27.3Very low34.2Very low179 Ų17966.1 Ų66.184%0.83638%0.375SS*.THydrogen-bonded Turntrans-126.4-1.6166.9-63.6-165.616500114.1D134D134-E136 PolarHBondContact O-N 3.21Å
137S28.4Very low33Very low69 Ų6967.5 Ų67.548%0.48338%0.382SS..THydrogen-bonded Turntrans-127-28-178.7-154.80000114.1D134 G140 L141D134-S137 PolarHBondContact O-N 3.1Å; S137-G140 CarbonylContact O-C 3.57Å; S137-G140 WeakPolarHBondContact O-CA 3.11Å; S137-G140 PolarHBondContact O-N 3.01Å; S137-G140 VanDerWaalsContact O-N 3.16Å; S137-L141 PolarHBondContact O-N 2.7Å
138C26.4Very low32.2Very low29 Ų2968.9 Ų68.920%0.19639%0.39CS..Hα-helixtrans-89.5-22.1156.3-59.20000111.1D134 G140 A142 W143D134-C138 CarbonylContact O-C 3.47Å; D134-C138 WeakPolarHBondContact O-CA 3.05Å; D134-C138 VanDerWaalsContact O-CB 3.32Å; D134-C138 WeakPolarHBondContact O-CB 3.43Å; D134-C138 PolarHBondContact O-N 3.44Å; C138-G140 CarbonylContact O-C 3.52Å; C138-G140 PolarHBondContact O-N 3.38Å; C138-A142 WeakPolarHBondContact O-CA 3.35Å; C138-A142 VanDerWaalsContact O-CB 3.28Å; C138-A142 WeakPolarHBondContact O-CB 3.35Å; C138-A142 PolarHBondContact O-N 3.25Å; C138-W143 PolarHBondContact O-N 2.6Å
139A27.8Very low31.3Very low44 Ų4470.9 Ų70.936%0.36440%0.399SS..Hα-helixtrans-754.4150.200000113D134 I135 W143D134-A139 PolarHBondContact O-N 2.65Å; I135-A139 WeakPolarHBondContact O-CB 3.27Å; A139-W143 VanDerWaalsContact C-CB 3.43Å; A139-W143 HydrophobicContact CB-CB 4.38Å; A139-W143 WeakPolarHBondContact O-CB 3.17Å; A139-W143 VanDerWaalsContact O-CD1 3.32Å
140G27.9Very low30.5Very low17 Ų1772.6 Ų72.618%0.17541%0.412CS..Hα-helixtrans-84.4-87.9144.500000107.8S137 C138 A142 W143 D144S137-G140 CarbonylContact O-C 3.57Å; S137-G140 WeakPolarHBondContact O-CA 3.11Å; S137-G140 PolarHBondContact O-N 3.01Å; S137-G140 VanDerWaalsContact O-N 3.16Å; C138-G140 CarbonylContact O-C 3.52Å; C138-G140 PolarHBondContact O-N 3.38Å; G140-A142 PolarHBondContact O-N 3.26Å; G140-W143 CarbonylContact O-C 3.43Å; G140-W143 VanDerWaalsContact O-CA 3.25Å; G140-W143 WeakPolarHBondContact O-CA 3.2Å; G140-W143 WeakPolarHBondContact O-CB 3.49Å; G140-W143 PolarHBondContact O-N 2.88Å; G140-D144 VanDerWaalsContact C-OD2 3.24Å; G140-D144 WeakPolarHBondContact O-CA 3.28Å; G140-D144 VanDerWaalsContact O-CB 3.25Å; G140-D144 WeakPolarHBondContact O-CB 3.41Å; G140-D144 VanDerWaalsContact O-CG 3.28Å; G140-D144 PolarHBondContact O-N 3.17Å
141L27.6Very low29.7Very low126 Ų12676.1 Ų76.166%0.6642%0.418SS*.Hα-helixtrans-55.5-37.7-165.3-71.4169.1000118.6S137 D144 M145S137-L141 PolarHBondContact O-N 2.7Å; L141-D144 CarbonylContact O-C 3.53Å; L141-D144 PolarHBondContact O-N 2.97Å; L141-M145 WeakPolarHBondContact O-CG 3.47Å; L141-M145 PolarHBondContact O-N 3.4Å
142A28.7Very low29.4Very low37 Ų3779.5 Ų79.531%0.30643%0.429SS..Hα-helixtrans-84.5-30.6173.300000111.7C138 G140 D144 T146C138-A142 WeakPolarHBondContact O-CA 3.35Å; C138-A142 VanDerWaalsContact O-CB 3.28Å; C138-A142 WeakPolarHBondContact O-CB 3.35Å; C138-A142 PolarHBondContact O-N 3.25Å; G140-A142 PolarHBondContact O-N 3.26Å; A142-D144 PolarHBondContact O-N 3.49Å; A142-T146 WeakPolarHBondContact O-CB 3.33Å; A142-T146 PolarHBondContact O-N 2.81Å; A142-T146 PolarHBondContact O-OG1 3.01Å
143W31.6Very low29.5Very low150 Ų15081 Ų8157%0.56843%0.43SS*.Hα-helixtrans-77.84.6164.8-144.4-137.6000111.9C138 A139 G140 N147C138-W143 PolarHBondContact O-N 2.6Å; A139-W143 VanDerWaalsContact C-CB 3.43Å; A139-W143 HydrophobicContact CB-CB 4.38Å; A139-W143 WeakPolarHBondContact O-CB 3.17Å; A139-W143 VanDerWaalsContact O-CD1 3.32Å; G140-W143 CarbonylContact O-C 3.43Å; G140-W143 VanDerWaalsContact O-CA 3.25Å; G140-W143 WeakPolarHBondContact O-CA 3.2Å; G140-W143 WeakPolarHBondContact O-CB 3.49Å; G140-W143 PolarHBondContact O-N 2.88Å; W143-N147 VanDerWaalsContact C-N 3.31Å; W143-N147 VanDerWaalsContact CE2-ND2 3.28Å; W143-N147 PolarHBondContact NE1-ND2 3.46Å; W143-N147 WeakPolarHBondContact O-CA 3.34Å; W143-N147 WeakPolarHBondContact O-CB 3.39Å; W143-N147 VanDerWaalsContact O-CG 3.29Å; W143-N147 PolarHBondContact O-N 2.86Å; W143-N147 PolarHBondContact O-ND2 3.07Å
144D30.5Very low29.5Very low50 Ų5081.4 Ų81.427%0.26743%0.433SS..Hα-helixtrans-115.8-29.8173-79.5-38.2000108.9G140 L141 A142 S148 I149 R151G140-D144 VanDerWaalsContact C-OD2 3.24Å; G140-D144 WeakPolarHBondContact O-CA 3.28Å; G140-D144 VanDerWaalsContact O-CB 3.25Å; G140-D144 WeakPolarHBondContact O-CB 3.41Å; G140-D144 VanDerWaalsContact O-CG 3.28Å; G140-D144 PolarHBondContact O-N 3.17Å; L141-D144 CarbonylContact O-C 3.53Å; L141-D144 PolarHBondContact O-N 2.97Å; A142-D144 PolarHBondContact O-N 3.49Å; D144-S148 VanDerWaalsContact C-N 3.33Å; D144-S148 VanDerWaalsContact CA-N 3.35Å; D144-S148 CarbonylContact O-C 3.54Å; D144-S148 WeakPolarHBondContact O-CA 3.31Å; D144-S148 WeakPolarHBondContact O-CB 3.49Å; D144-S148 PolarHBondContact O-N 2.85Å; D144-I149 PolarHBondContact O-N 3.49Å; D144-R151 IonicContact OD1-CZ 2.93Å; D144-R151 IonicContact OD1-NH2 3.73Å; D144-R151 PolarHBondContact OD1-NH2 2.63Å
145M32.7Very low29.5Very low75 Ų7580.7 Ų80.737%0.36944%0.435SS..Hα-helixtrans-59.3-43.6153.4-72.7178.268.600109.1W68 L141 I149W68-M145 HydrophobicContact CD2-CE 4.5Å; W68-M145 HydrophobicContact CH2-CE 3.99Å; W68-M145 HydrophobicContact CZ2-CE 3.72Å; W68-M145 HydrophobicContact CZ2-SD 4.07Å; W68-M145 HydrophobicContact CZ3-CE 4.49Å; L141-M145 WeakPolarHBondContact O-CG 3.47Å; L141-M145 PolarHBondContact O-N 3.4Å; M145-I149 WeakPolarHBondContact O-CB 2.94Å; M145-I149 VanDerWaalsContact O-CD1 3.27Å; M145-I149 WeakPolarHBondContact O-CD1 3.15Å; M145-I149 WeakPolarHBondContact O-CG1 3.42Å
146T32.3Very low29.6Very low84 Ų8475.4 Ų75.452%0.51541%0.414SS..Hα-helixtrans-84.8-33.7177.4-48.60000114.3A142 S150A142-T146 WeakPolarHBondContact O-CB 3.33Å; A142-T146 PolarHBondContact O-N 2.81Å; A142-T146 PolarHBondContact O-OG1 3.01Å; T146-S150 WeakPolarHBondContact O-CA 3.2Å; T146-S150 WeakPolarHBondContact O-CB 3.49Å; T146-S150 PolarHBondContact O-N 3.21Å
147N30.3Very low29.7Very low34 Ų3469.6 Ų69.618%0.18239%0.387CS..Hα-helixtrans-11712.6176-45.3-75.1000116.2W143 R151W143-N147 VanDerWaalsContact C-N 3.31Å; W143-N147 VanDerWaalsContact CE2-ND2 3.28Å; W143-N147 PolarHBondContact NE1-ND2 3.46Å; W143-N147 WeakPolarHBondContact O-CA 3.34Å; W143-N147 WeakPolarHBondContact O-CB 3.39Å; W143-N147 VanDerWaalsContact O-CG 3.29Å; W143-N147 PolarHBondContact O-N 2.86Å; W143-N147 PolarHBondContact O-ND2 3.07Å; N147-R151 VanDerWaalsContact C-N 3.34Å; N147-R151 HydrophobicContact CB-CG 4.17Å; N147-R151 WeakPolarHBondContact O-CA 3.09Å; N147-R151 WeakPolarHBondContact O-CB 3.39Å; N147-R151 WeakPolarHBondContact O-CD 3.5Å; N147-R151 WeakPolarHBondContact O-CG 3.35Å; N147-R151 PolarHBondContact O-N 3.07Å; N147-R151 PolarHBondContact O-NE 3.49Å
148S32.3Very low29.6Very low36 Ų3672.7 Ų72.725%0.25240%0.398SS..Hα-helixtrans-97.9-31154.3-153.40000107.8D144 K152D144-S148 VanDerWaalsContact C-N 3.33Å; D144-S148 VanDerWaalsContact CA-N 3.35Å; D144-S148 CarbonylContact O-C 3.54Å; D144-S148 WeakPolarHBondContact O-CA 3.31Å; D144-S148 WeakPolarHBondContact O-CB 3.49Å; D144-S148 PolarHBondContact O-N 2.85Å; S148-K152 WeakPolarHBondContact O-CA 3.29Å; S148-K152 WeakPolarHBondContact O-CB 3.39Å; S148-K152 VanDerWaalsContact O-CG 3.23Å; S148-K152 WeakPolarHBondContact O-CG 2.89Å; S148-K152 PolarHBondContact O-N 2.84Å; S148-K152 VanDerWaalsContact OG-CE 3.28Å; S148-K152 WeakPolarHBondContact OG-CE 3.08Å
149I31.9Very low29.8Very low87 Ų8778.4 Ų78.445%0.44643%0.425SS..Hα-helixtrans-61.5-65.3151.5-59.1179.3000107.8D144 M145 R151 K152 L153D144-I149 PolarHBondContact O-N 3.49Å; M145-I149 WeakPolarHBondContact O-CB 2.94Å; M145-I149 VanDerWaalsContact O-CD1 3.27Å; M145-I149 WeakPolarHBondContact O-CD1 3.15Å; M145-I149 WeakPolarHBondContact O-CG1 3.42Å; I149-R151 VanDerWaalsContact C-N 3.29Å; I149-R151 PolarHBondContact O-N 3.09Å; I149-K152 PolarHBondContact O-N 3.26Å; I149-L153 HydrophobicContact CG2-CD1 3.42Å; I149-L153 VanDerWaalsContact CG2-CD1 3.42Å; I149-L153 HydrophobicContact CG2-CG 3.8Å; I149-L153 WeakPolarHBondContact O-CA 3.13Å; I149-L153 WeakPolarHBondContact O-CB 3.37Å; I149-L153 WeakPolarHBondContact O-CG 3.07Å; I149-L153 PolarHBondContact O-N 3.14Å
150S28.9Very low29.9Very low51 Ų5183 Ų8336%0.35744%0.439SS..Hα-helixtrans-66.4-8.6-179.1-163.40000117T146 S154T146-S150 WeakPolarHBondContact O-CA 3.2Å; T146-S150 WeakPolarHBondContact O-CB 3.49Å; T146-S150 PolarHBondContact O-N 3.21Å; S150-S154 WeakPolarHBondContact O-CA 3.27Å; S150-S154 WeakPolarHBondContact O-CB 3.34Å; S150-S154 PolarHBondContact O-N 3.08Å; S150-S154 PolarHBondContact O-OG 3.02Å
151R28.6Very low29.9Very low139 Ų13984.8 Ų84.853%0.52545%0.445SS..Hα-helixtrans-108.8-23.6167.8-63.8171.7-74.5179.7-8.2115.5D144 N147 I149 S155D144-R151 IonicContact OD1-CZ 2.93Å; D144-R151 IonicContact OD1-NH2 3.73Å; D144-R151 PolarHBondContact OD1-NH2 2.63Å; N147-R151 VanDerWaalsContact C-N 3.34Å; N147-R151 HydrophobicContact CB-CG 4.17Å; N147-R151 WeakPolarHBondContact O-CA 3.09Å; N147-R151 WeakPolarHBondContact O-CB 3.39Å; N147-R151 WeakPolarHBondContact O-CD 3.5Å; N147-R151 WeakPolarHBondContact O-CG 3.35Å; N147-R151 PolarHBondContact O-N 3.07Å; N147-R151 PolarHBondContact O-NE 3.49Å; I149-R151 VanDerWaalsContact C-N 3.29Å; I149-R151 PolarHBondContact O-N 3.09Å; R151-S155 WeakPolarHBondContact O-CA 2.93Å; R151-S155 WeakPolarHBondContact O-CB 3.37Å; R151-S155 PolarHBondContact O-N 2.66Å; R151-S155 PolarHBondContact O-OG 3.19Å
152K32.7Very low30Very low137 Ų13786.3 Ų86.360%0.59645%0.446SS*.Hα-helixtrans-82.2-32.6164.9-60.2174177.41710110.4S148 I149 A156S148-K152 WeakPolarHBondContact O-CA 3.29Å; S148-K152 WeakPolarHBondContact O-CB 3.39Å; S148-K152 VanDerWaalsContact O-CG 3.23Å; S148-K152 WeakPolarHBondContact O-CG 2.89Å; S148-K152 PolarHBondContact O-N 2.84Å; S148-K152 VanDerWaalsContact OG-CE 3.28Å; S148-K152 WeakPolarHBondContact OG-CE 3.08Å; I149-K152 PolarHBondContact O-N 3.26Å; K152-A156 WeakPolarHBondContact O-CA 3.26Å; K152-A156 WeakPolarHBondContact O-CB 3.39Å; K152-A156 PolarHBondContact O-N 2.79Å
153L28.9Very low30.3Very low79 Ų7990.2 Ų90.241%0.41446%0.462SS..Hα-helixtrans-57.1-82.9148.5-57.7-172.8000108.3I149 S155 A156 M157I149-L153 HydrophobicContact CG2-CD1 3.42Å; I149-L153 VanDerWaalsContact CG2-CD1 3.42Å; I149-L153 HydrophobicContact CG2-CG 3.8Å; I149-L153 WeakPolarHBondContact O-CA 3.13Å; I149-L153 WeakPolarHBondContact O-CB 3.37Å; I149-L153 WeakPolarHBondContact O-CG 3.07Å; I149-L153 PolarHBondContact O-N 3.14Å; L153-S155 CarbonylContact O-C 3.6Å; L153-S155 PolarHBondContact O-N 3.37Å; L153-A156 CarbonylContact O-C 3.52Å; L153-A156 PolarHBondContact O-N 3.39Å; L153-M157 HydrophobicContact CB-CE 4Å; L153-M157 HydrophobicContact CB-CG 3.75Å; L153-M157 HydrophobicContact CB-SD 3.62Å; L153-M157 HydrophobicContact CD1-CE 3.97Å; L153-M157 HydrophobicContact CD2-CE 4.44Å; L153-M157 HydrophobicContact CG-CE 4.37Å; L153-M157 WeakPolarHBondContact O-CA 3.05Å; L153-M157 WeakPolarHBondContact O-CB 3.37Å; L153-M157 VanDerWaalsContact O-CG 3.25Å; L153-M157 WeakPolarHBondContact O-CG 3.28Å; L153-M157 PolarHBondContact O-N 2.94Å
154S29.2Very low31.1Very low51 Ų5185.4 Ų85.436%0.35745%0.451SS..Hα-helixtrans-46.5-31.4-170.4-65.10000117.1S150 L158S150-S154 WeakPolarHBondContact O-CA 3.27Å; S150-S154 WeakPolarHBondContact O-CB 3.34Å; S150-S154 PolarHBondContact O-N 3.08Å; S150-S154 PolarHBondContact O-OG 3.02Å; S154-L158 WeakPolarHBondContact O-CB 3.49Å; S154-L158 VanDerWaalsContact O-CD1 3.23Å; S154-L158 WeakPolarHBondContact O-CD1 3.44Å; S154-L158 WeakPolarHBondContact O-CG 3.37Å; S154-L158 PolarHBondContact O-N 3.37Å
155S28Very low32.8Very low70 Ų7084.9 Ų84.949%0.4945%0.454SS..Hα-helixtrans-83.6-42.9173.9-47.10000114.3R151 L153 M157 L158 L159R151-S155 WeakPolarHBondContact O-CA 2.93Å; R151-S155 WeakPolarHBondContact O-CB 3.37Å; R151-S155 PolarHBondContact O-N 2.66Å; R151-S155 PolarHBondContact O-OG 3.19Å; L153-S155 CarbonylContact O-C 3.6Å; L153-S155 PolarHBondContact O-N 3.37Å; S155-M157 VanDerWaalsContact C-N 3.29Å; S155-L158 PolarHBondContact O-N 2.74Å; S155-L159 PolarHBondContact O-N 2.87Å
156A29.3Very low35Very low40 Ų4082.2 Ų82.233%0.33144%0.441SS..Hα-helixtrans-77.6-15.7171.200000112.2K152 L153 L159 Q160K152-A156 WeakPolarHBondContact O-CA 3.26Å; K152-A156 WeakPolarHBondContact O-CB 3.39Å; K152-A156 PolarHBondContact O-N 2.79Å; L153-A156 CarbonylContact O-C 3.52Å; L153-A156 PolarHBondContact O-N 3.39Å; A156-L159 CarbonylContact O-C 3.4Å; A156-L159 PolarHBondContact O-N 2.76Å; A156-Q160 WeakPolarHBondContact O-CA 3.4Å; A156-Q160 WeakPolarHBondContact O-CB 3.23Å; A156-Q160 WeakPolarHBondContact O-CG 3.01Å; A156-Q160 PolarHBondContact O-N 3.27Å
157M29.1Very low37.6Very low57 Ų5779.3 Ų79.328%0.28142%0.422SS..Hα-helixtrans-79.7-42.4167.7-76-171.4152.600109.9L153 S155 L159 Q160 N161L153-M157 HydrophobicContact CB-CE 4Å; L153-M157 HydrophobicContact CB-CG 3.75Å; L153-M157 HydrophobicContact CB-SD 3.62Å; L153-M157 HydrophobicContact CD1-CE 3.97Å; L153-M157 HydrophobicContact CD2-CE 4.44Å; L153-M157 HydrophobicContact CG-CE 4.37Å; L153-M157 WeakPolarHBondContact O-CA 3.05Å; L153-M157 WeakPolarHBondContact O-CB 3.37Å; L153-M157 VanDerWaalsContact O-CG 3.25Å; L153-M157 WeakPolarHBondContact O-CG 3.28Å; L153-M157 PolarHBondContact O-N 2.94Å; S155-M157 VanDerWaalsContact C-N 3.29Å; M157-L159 PolarHBondContact O-N 3.25Å; M157-Q160 CarbonylContact O-C 3.54Å; M157-Q160 PolarHBondContact O-N 3.27Å; M157-N161 HydrophobicContact CB-CB 3.7Å; M157-N161 WeakPolarHBondContact CE-ND2 3.48Å; M157-N161 WeakPolarHBondContact CE-OD1 3.49Å; M157-N161 HydrophobicContact CG-CB 4.21Å; M157-N161 WeakPolarHBondContact CG-OD1 3.05Å; M157-N161 VanDerWaalsContact O-CA 3.28Å; M157-N161 WeakPolarHBondContact O-CA 3.31Å; M157-N161 WeakPolarHBondContact O-CB 3.28Å; M157-N161 PolarHBondContact O-N 2.84Å; M157-N161 VanDerWaalsContact SD-CG 3.58Å; M157-N161 PolarHBondContact SD-ND2 3.46Å
158L27.8Very low40.2Very low134 Ų13479.1 Ų79.170%0.70242%0.421SS*.THydrogen-bonded Turntrans-59.1-16.1166.8-78163.8000111.6S154 S155S154-L158 WeakPolarHBondContact O-CB 3.49Å; S154-L158 VanDerWaalsContact O-CD1 3.23Å; S154-L158 WeakPolarHBondContact O-CD1 3.44Å; S154-L158 WeakPolarHBondContact O-CG 3.37Å; S154-L158 PolarHBondContact O-N 3.37Å; S155-L158 PolarHBondContact O-N 2.74Å
159L29.5Very low42.8Very low149 Ų14978.3 Ų78.378%0.7841%0.413SS*.THydrogen-bonded Turntrans-109.4-3.6171.7-66.1163.8000115.8S155 A156 M157S155-L159 PolarHBondContact O-N 2.87Å; A156-L159 CarbonylContact O-C 3.4Å; A156-L159 PolarHBondContact O-N 2.76Å; M157-L159 PolarHBondContact O-N 3.25Å
160Q29.4Very low45.4Very low140 Ų14074.2 Ų74.265%0.65439%0.392SS*.THydrogen-bonded Turntrans-141.4-30-178.5-64.8178-9.800114.3A156 M157 K162 N163A156-Q160 WeakPolarHBondContact O-CA 3.4Å; A156-Q160 WeakPolarHBondContact O-CB 3.23Å; A156-Q160 WeakPolarHBondContact O-CG 3.01Å; A156-Q160 PolarHBondContact O-N 3.27Å; M157-Q160 CarbonylContact O-C 3.54Å; M157-Q160 PolarHBondContact O-N 3.27Å; Q160-K162 PolarHBondContact O-N 2.92Å; Q160-N163 PolarHBondContact O-N 3.46Å
161N28.9Very low48.4Very low55 Ų5575.7 Ų75.729%0.29439%0.389SS..G310 helixtrans-67.9-5.6169.9-86.118.7000114.5M157 N163 S164 N168M157-N161 HydrophobicContact CB-CB 3.7Å; M157-N161 WeakPolarHBondContact CE-ND2 3.48Å; M157-N161 WeakPolarHBondContact CE-OD1 3.49Å; M157-N161 HydrophobicContact CG-CB 4.21Å; M157-N161 WeakPolarHBondContact CG-OD1 3.05Å; M157-N161 VanDerWaalsContact O-CA 3.28Å; M157-N161 WeakPolarHBondContact O-CA 3.31Å; M157-N161 WeakPolarHBondContact O-CB 3.28Å; M157-N161 PolarHBondContact O-N 2.84Å; M157-N161 VanDerWaalsContact SD-CG 3.58Å; M157-N161 PolarHBondContact SD-ND2 3.46Å; N161-N163 PolarHBondContact O-N 2.79Å; N161-S164 VanDerWaalsContact CA-OG 3.31Å; N161-S164 WeakPolarHBondContact CA-OG 3.42Å; N161-S164 WeakPolarHBondContact CB-OG 3.4Å; N161-S164 PolarHBondContact ND2-OG 2.63Å; N161-S164 PolarHBondContact O-N 2.95Å; N161-S164 PolarHBondContact OD1-OG 2.92Å; N161-N168 PolarHBondContact O-ND2 3.43Å; N161-N168 VanDerWaalsContact O-ND2 3.13Å
162K30.3Very low51.3Low157 Ų15772.7 Ų72.768%0.68339%0.387SS*.G310 helixtrans-56.4-9.5159.3-73.3-168.4175.2-174.90112.7Q160 N168Q160-K162 PolarHBondContact O-N 2.92Å; K162-N168 WeakPolarHBondContact O-CB 3.42Å; K162-N168 PolarHBondContact O-ND2 3.32Å
163N35.1Very low54Low119 Ų11966.8 Ų66.864%0.63636%0.361SS*.G310 helixtrans-121.2-0177.4-58.6-8.9000115.4Q160 N161Q160-N163 PolarHBondContact O-N 3.46Å; N161-N163 PolarHBondContact O-N 2.79Å
164S46.8Very low57.1Low49 Ų4963.9 Ų63.934%0.34335%0.345SS..THydrogen-bonded Turntrans-118.1-10.7-165.876.30000117.5N161 R169N161-S164 VanDerWaalsContact CA-OG 3.31Å; N161-S164 WeakPolarHBondContact CA-OG 3.42Å; N161-S164 WeakPolarHBondContact CB-OG 3.4Å; N161-S164 PolarHBondContact ND2-OG 2.63Å; N161-S164 PolarHBondContact O-N 2.95Å; N161-S164 PolarHBondContact OD1-OG 2.92Å; S164-R169 PolarHBondContact O-NH1 2.89Å; S164-R169 PolarHBondContact O-NH2 3.39Å
165A66.9Low60.1Low40 Ų4066.6 Ų66.633%0.33135%0.352SS..SBendtrans-84.6152.5167.300000110.2N167 N168 R169A165-N167 WeakPolarHBondContact CB-OD1 3.4Å; A165-N167 PolarHBondContact O-N 3.43Å; A165-N168 PolarHBondContact O-N 2.94Å; A165-R169 PolarHBondContact O-N 3.39Å
166I78.4Confident63Low19 Ų1965.5 Ų65.510%0.09735%0.347CS..Hα-helixtrans-58.9-34.1-173.7-174.6164.7000112.2N168 R169 L170 E204 P205 L210I166-N168 VanDerWaalsContact C-N 3.35Å; I166-N168 PolarHBondContact O-N 3.01Å; I166-R169 PolarHBondContact O-N 3.18Å; I166-L170 VanDerWaalsContact O-CB 3.23Å; I166-L170 WeakPolarHBondContact O-CB 3.47Å; I166-L170 PolarHBondContact O-N 2.92Å; I166-E204 HydrophobicContact CG2-CG 4.12Å; I166-P205 HydrophobicContact CD1-CG 4.34Å; I166-L210 HydrophobicContact CD1-CD1 4.46Å
167N87.5Confident65.8Low22 Ų2265.8 Ų65.812%0.11835%0.346CS..Hα-helixtrans-58-40.9174.767.5-27.9000113.8A165 R171 W198 E199 G201A165-N167 WeakPolarHBondContact CB-OD1 3.4Å; A165-N167 PolarHBondContact O-N 3.43Å; N167-R171 WeakPolarHBondContact O-CB 3.25Å; N167-R171 PolarHBondContact O-N 3.26Å; N167-W198 WeakPolarHBondContact CB-O 3.3Å; N167-E199 PolarHBondContact ND2-O 3.49Å; N167-G201 WeakPolarHBondContact ND2-CA 3.36Å
168N84.7Confident68.7Low30 Ų3066.1 Ų66.116%0.1636%0.364CS..Hα-helixtrans-74.1-41.5179.6-69.6-38.3000110.9N161 K162 A165 I166 L170 R171 T172N161-N168 PolarHBondContact O-ND2 3.43Å; N161-N168 VanDerWaalsContact O-ND2 3.13Å; K162-N168 WeakPolarHBondContact O-CB 3.42Å; K162-N168 PolarHBondContact O-ND2 3.32Å; A165-N168 PolarHBondContact O-N 2.94Å; I166-N168 VanDerWaalsContact C-N 3.35Å; I166-N168 PolarHBondContact O-N 3.01Å; N168-L170 VanDerWaalsContact C-N 3.33Å; N168-L170 PolarHBondContact O-N 3.48Å; N168-R171 PolarHBondContact O-N 2.91Å; N168-T172 WeakPolarHBondContact O-CB 3.46Å; N168-T172 PolarHBondContact O-N 2.94Å; N168-T172 PolarHBondContact O-OG1 3.48Å; N168-T172 VanDerWaalsContact O-OG1 3.09Å
169R86.6Confident71.8Confident20 Ų2061.3 Ų61.38%0.07534%0.339CS..Hα-helixtrans-60.3-43.4171.7-77-171.9-70.9-80.20.2112S164 A165 I166 Q173 W223 L224 L225S164-R169 PolarHBondContact O-NH1 2.89Å; S164-R169 PolarHBondContact O-NH2 3.39Å; A165-R169 PolarHBondContact O-N 3.39Å; I166-R169 PolarHBondContact O-N 3.18Å; R169-Q173 VanDerWaalsContact O-CB 3.27Å; R169-Q173 WeakPolarHBondContact O-CB 3.25Å; R169-Q173 PolarHBondContact O-N 3.31Å; R169-W223 HydrophobicContact CB-CH2 4.12Å; R169-W223 HydrophobicContact CB-CZ2 4.47Å; R169-W223 HydrophobicContact CB-CZ3 4.45Å; R169-W223 VanDerWaalsContact CD-O 3.23Å; R169-W223 WeakPolarHBondContact CD-O 3.29Å; R169-W223 HydrophobicContact CG-CH2 4.25Å; R169-W223 HydrophobicContact CG-CZ2 4.1Å; R169-W223 PolarHBondContact NE-O 2.84Å; R169-L224 HydrophobicContact CB-CD1 4.16Å; R169-L224 PolarHBondContact NE-O 2.84Å; R169-L225 PolarHBondContact NH2-O 2.78Å
170L87.6Confident74.9Confident1 Ų157.4 Ų57.41%0.00532%0.321CS..Hα-helixtrans-57.2-53.9176.2178.467.7000110.9I166 N168 Q173 R174 L184 W198 E199 L213 L217I166-L170 VanDerWaalsContact O-CB 3.23Å; I166-L170 WeakPolarHBondContact O-CB 3.47Å; I166-L170 PolarHBondContact O-N 2.92Å; N168-L170 VanDerWaalsContact C-N 3.33Å; N168-L170 PolarHBondContact O-N 3.48Å; L170-Q173 PolarHBondContact O-N 3.21Å; L170-R174 VanDerWaalsContact O-CB 3.29Å; L170-R174 WeakPolarHBondContact O-CB 3.48Å; L170-R174 PolarHBondContact O-N 2.72Å; L170-L184 HydrophobicContact CD1-CD2 4.17Å; L170-W198 HydrophobicContact CD2-CB 3.67Å; L170-W198 HydrophobicContact CD2-CE3 4.13Å; L170-E199 HydrophobicContact CD2-CG 4.02Å; L170-E199 HydrophobicContact CG-CG 4.28Å; L170-L213 HydrophobicContact CD1-CD1 4.37Å; L170-L213 HydrophobicContact CD1-CD2 3.64Å; L170-L217 HydrophobicContact CD1-CD1 3.71Å
171R91.6Very high78Confident81 Ų8152.3 Ų52.331%0.30630%0.3SS..Hα-helixtrans-57.6-54.7177.3179.9176.5-64131.9-7.2112.1N167 N168 Q173 R174 E175 E199N167-R171 WeakPolarHBondContact O-CB 3.25Å; N167-R171 PolarHBondContact O-N 3.26Å; N168-R171 PolarHBondContact O-N 2.91Å; R171-Q173 VanDerWaalsContact C-N 3.31Å; R171-Q173 PolarHBondContact O-N 3.39Å; R171-R174 PolarHBondContact O-N 2.95Å; R171-E175 HydrophobicContact CG-CG 4.45Å; R171-E175 VanDerWaalsContact CG-OE1 3.23Å; R171-E175 WeakPolarHBondContact CG-OE1 2.79Å; R171-E175 WeakPolarHBondContact O-CB 3.25Å; R171-E175 WeakPolarHBondContact O-CG 3.2Å; R171-E175 PolarHBondContact O-N 3.31Å; R171-E199 WeakPolarHBondContact CA-OE1 3.38Å; R171-E199 HydrophobicContact CB-CG 4.07Å; R171-E199 WeakPolarHBondContact CB-OE2 3.41Å; R171-E199 WeakPolarHBondContact CG-OE2 3.26Å; R171-E199 IonicContact CZ-OE2 2.73Å; R171-E199 IonicContact NE-OE2 3.19Å; R171-E199 PolarHBondContact NE-OE2 2.82Å; R171-E199 VanDerWaalsContact NH2-C 3.33Å; R171-E199 PolarHBondContact NH2-O 2.64Å; R171-E199 IonicContact NH2-OE2 3.23Å
172T88.1Confident81.1Confident76 Ų7650.6 Ų50.647%0.46629%0.293SS..Hα-helixtrans-61.1-39.4-176.6-62.60000111.8N168 A176N168-T172 WeakPolarHBondContact O-CB 3.46Å; N168-T172 PolarHBondContact O-N 2.94Å; N168-T172 PolarHBondContact O-OG1 3.48Å; N168-T172 VanDerWaalsContact O-OG1 3.09Å; T172-A176 VanDerWaalsContact O-CB 3.31Å; T172-A176 WeakPolarHBondContact O-CB 3.48Å; T172-A176 PolarHBondContact O-N 3.47Å
173Q90Very high84.2Confident14 Ų1446.5 Ų46.57%0.06528%0.277CS..Hα-helixtrans-73.5-39.3177.4-168.666.710.300112.1R169 L170 R171 E175 A176 C177 L217 C219 W223R169-Q173 VanDerWaalsContact O-CB 3.27Å; R169-Q173 WeakPolarHBondContact O-CB 3.25Å; R169-Q173 PolarHBondContact O-N 3.31Å; L170-Q173 PolarHBondContact O-N 3.21Å; R171-Q173 VanDerWaalsContact C-N 3.31Å; R171-Q173 PolarHBondContact O-N 3.39Å; Q173-E175 VanDerWaalsContact C-N 3.32Å; Q173-E175 PolarHBondContact O-N 2.91Å; Q173-A176 PolarHBondContact O-N 3.26Å; Q173-C177 WeakPolarHBondContact O-CB 3.36Å; Q173-C177 PolarHBondContact O-N 2.85Å; Q173-C177 PolarHBondContact O-SG 3.22Å; Q173-C177 VanDerWaalsContact O-SG 3.32Å; Q173-L217 HydrophobicContact CB-CD1 4.48Å; Q173-L217 HydrophobicContact CG-CB 3.74Å; Q173-L217 HydrophobicContact CG-CD1 4.45Å; Q173-L217 HydrophobicContact CG-CD2 4.49Å; Q173-L217 HydrophobicContact CG-CG 4.45Å; Q173-L217 PolarHBondContact NE2-O 2.86Å; Q173-C219 HydrophobicContact CG-CB 4.16Å; Q173-W223 HydrophobicContact CB-CH2 3.94Å; Q173-W223 HydrophobicContact CB-CZ3 3.82Å; Q173-W223 HydrophobicContact CG-CH2 4.4Å; Q173-W223 HydrophobicContact CG-CZ3 3.96Å
174R93.9Very high87Confident17 Ų1740.9 Ų40.96%0.06425%0.246CC..Hα-helixtrans-57.5-46.7173.4-177-169.74861.95.6110.9L170 R171 C177 G178 L179 L184 E199 L217L170-R174 VanDerWaalsContact O-CB 3.29Å; L170-R174 WeakPolarHBondContact O-CB 3.48Å; L170-R174 PolarHBondContact O-N 2.72Å; R171-R174 PolarHBondContact O-N 2.95Å; R174-C177 PolarHBondContact O-N 3.01Å; R174-G178 PolarHBondContact O-N 2.78Å; R174-L179 HydrophobicContact CG-CB 3.71Å; R174-L179 WeakPolarHBondContact CG-O 3.37Å; R174-L179 PolarHBondContact NH1-O 3.07Å; R174-L179 PolarHBondContact O-N 2.71Å; R174-L184 HydrophobicContact CB-CD2 4.33Å; R174-L184 HydrophobicContact CG-CB 4.3Å; R174-L184 HydrophobicContact CG-CD2 4.03Å; R174-E199 IonicContact CZ-OE1 2.71Å; R174-E199 VanDerWaalsContact CZ-OE1 3.23Å; R174-E199 IonicContact CZ-OE2 2.79Å; R174-E199 IonicContact NE-OE1 2.66Å; R174-E199 PolarHBondContact NE-OE1 3.1Å; R174-E199 IonicContact NE-OE2 3.98Å; R174-E199 VanDerWaalsContact NH2-CD 3.34Å; R174-E199 IonicContact NH2-OE1 2.97Å; R174-E199 PolarHBondContact NH2-OE1 3.19Å; R174-E199 IonicContact NH2-OE2 2.89Å; R174-E199 PolarHBondContact NH2-OE2 3.07Å; R174-L217 HydrophobicContact CB-CD2 4.05Å
175E92.5Very high89.3Confident108 Ų10838.7 Ų38.751%0.50523%0.231SC..Hα-helixtrans-65.1-41.3177-71.7170.4-176.700112.1R171 Q173 C177 G178R171-E175 HydrophobicContact CG-CG 4.45Å; R171-E175 VanDerWaalsContact CG-OE1 3.23Å; R171-E175 WeakPolarHBondContact CG-OE1 2.79Å; R171-E175 WeakPolarHBondContact O-CB 3.25Å; R171-E175 WeakPolarHBondContact O-CG 3.2Å; R171-E175 PolarHBondContact O-N 3.31Å; Q173-E175 VanDerWaalsContact C-N 3.32Å; Q173-E175 PolarHBondContact O-N 2.91Å; E175-C177 VanDerWaalsContact C-N 3.31Å; E175-C177 PolarHBondContact O-N 2.8Å; E175-G178 PolarHBondContact O-N 2.64Å
176A88.6Confident90.6Very high48 Ų4844.9 Ų44.940%0.39725%0.246SC..Hα-helixtrans-62.5-37.1173.900000112.3T172 Q173 G178 Q234T172-A176 VanDerWaalsContact O-CB 3.31Å; T172-A176 WeakPolarHBondContact O-CB 3.48Å; T172-A176 PolarHBondContact O-N 3.47Å; Q173-A176 PolarHBondContact O-N 3.26Å; A176-G178 PolarHBondContact O-N 2.76Å; A176-Q234 PolarHBondContact O-NE2 2.84Å
177C88.1Confident91.2Very high46 Ų4648.8 Ų48.831%0.31127%0.267SS..THydrogen-bonded Turntrans-73-3.4173.1-700000113.8Q173 R174 E175 L179 L217Q173-C177 WeakPolarHBondContact O-CB 3.36Å; Q173-C177 PolarHBondContact O-N 2.85Å; Q173-C177 PolarHBondContact O-SG 3.22Å; Q173-C177 VanDerWaalsContact O-SG 3.32Å; R174-C177 PolarHBondContact O-N 3.01Å; E175-C177 VanDerWaalsContact C-N 3.31Å; E175-C177 PolarHBondContact O-N 2.8Å; C177-L179 VanDerWaalsContact C-N 3.29Å; C177-L179 HydrophobicContact CB-CD1 4.11Å; C177-L179 HydrophobicContact CB-CG 4.14Å; C177-L179 PolarHBondContact O-N 2.86Å; C177-L217 PolarHBondContact SG-O 3.48Å
178G91.1Very high91.3Very high63 Ų6348.9 Ų48.965%0.64927%0.267SS*.THydrogen-bonded Turntrans72.317.8-179.300000114.6R174 E175 A176R174-G178 PolarHBondContact O-N 2.78Å; E175-G178 PolarHBondContact O-N 2.64Å; A176-G178 PolarHBondContact O-N 2.76Å
179L91.9Very high91.6Very high33 Ų3355 Ų5517%0.17330%0.299CS..  trans-92.8138.4-176.7-64.8172.5000111.7R174 C177 E183 L184 L187 I216 L217R174-L179 HydrophobicContact CG-CB 3.71Å; R174-L179 WeakPolarHBondContact CG-O 3.37Å; R174-L179 PolarHBondContact NH1-O 3.07Å; R174-L179 PolarHBondContact O-N 2.71Å; C177-L179 VanDerWaalsContact C-N 3.29Å; C177-L179 HydrophobicContact CB-CD1 4.11Å; C177-L179 HydrophobicContact CB-CG 4.14Å; C177-L179 PolarHBondContact O-N 2.86Å; L179-E183 HydrophobicContact CD2-CB 4.11Å; L179-L184 HydrophobicContact CD1-CD1 4.49Å; L179-L187 HydrophobicContact CD1-CD1 4.18Å; L179-L187 HydrophobicContact CD2-CD1 3.99Å; L179-I216 HydrophobicContact CD1-CG2 4.01Å; L179-L217 HydrophobicContact CD1-CD2 4.34Å
180T95Very high91.8Very high68 Ų6856.8 Ų56.842%0.41731%0.311SS..  trans-76.4162.3163.3590000111.5A182 E183 L184T180-A182 VanDerWaalsContact C-N 3.3Å; T180-A182 PolarHBondContact O-N 2.94Å; T180-E183 WeakPolarHBondContact CB-OE2 3.13Å; T180-E183 WeakPolarHBondContact CG2-OE2 3.34Å; T180-E183 PolarHBondContact N-OE2 2.71Å; T180-E183 PolarHBondContact O-N 3Å; T180-E183 VanDerWaalsContact O-N 3.15Å; T180-E183 WeakPolarHBondContact OG1-CB 3.06Å; T180-E183 WeakPolarHBondContact OG1-CG 3.42Å; T180-E183 PolarHBondContact OG1-N 3.27Å; T180-E183 PolarHBondContact OG1-OE2 3.5Å; T180-L184 PolarHBondContact O-N 2.98Å
181T94.1Very high92.1Very high33 Ų3363 Ų6320%0.20234%0.343CS..Hα-helixtrans-54.8-46.6171.938.90000111.3E183 L184 A185 E192 I195T181-E183 VanDerWaalsContact C-N 3.32Å; T181-E183 PolarHBondContact O-N 2.75Å; T181-L184 PolarHBondContact O-N 3.48Å; T181-A185 WeakPolarHBondContact O-CB 3.44Å; T181-A185 PolarHBondContact O-N 3.32Å; T181-E192 VanDerWaalsContact CB-OE1 3.29Å; T181-E192 WeakPolarHBondContact CB-OE1 3.19Å; T181-E192 PolarHBondContact OG1-OE1 3.46Å; T181-I195 HydrophobicContact CG2-CG2 4.09Å
182A95.1Very high92.3Very high19 Ų1962.8 Ų62.816%0.15735%0.346CS..Hα-helixtrans-60.2-35.1174.900000113.8T180 R186 E192T180-A182 VanDerWaalsContact C-N 3.3Å; T180-A182 PolarHBondContact O-N 2.94Å; A182-R186 WeakPolarHBondContact O-CB 3.26Å; A182-R186 VanDerWaalsContact O-CG 3.29Å; A182-R186 WeakPolarHBondContact O-CG 3Å; A182-R186 PolarHBondContact O-N 2.96Å; A182-R186 VanDerWaalsContact O-N 3.1Å; A182-R186 PolarHBondContact O-NH1 3.15Å; A182-E192 WeakPolarHBondContact CB-OE1 3.41Å; A182-E192 WeakPolarHBondContact CB-OE2 3.28Å; A182-E192 PolarHBondContact N-OE1 3.27Å
183E94.7Very high92.6Very high71 Ų7164 Ų6433%0.33235%0.346SS..Hα-helixtrans-73.3-43.9176.7-75.8161.5147.700112L179 T180 T181 A185 R186 L187L179-E183 HydrophobicContact CD2-CB 4.11Å; T180-E183 WeakPolarHBondContact CB-OE2 3.13Å; T180-E183 WeakPolarHBondContact CG2-OE2 3.34Å; T180-E183 PolarHBondContact N-OE2 2.71Å; T180-E183 PolarHBondContact O-N 3Å; T180-E183 VanDerWaalsContact O-N 3.15Å; T180-E183 WeakPolarHBondContact OG1-CB 3.06Å; T180-E183 WeakPolarHBondContact OG1-CG 3.42Å; T180-E183 PolarHBondContact OG1-N 3.27Å; T180-E183 PolarHBondContact OG1-OE2 3.5Å; T181-E183 VanDerWaalsContact C-N 3.32Å; T181-E183 PolarHBondContact O-N 2.75Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3Å; E183-R186 PolarHBondContact O-N 3.43Å; E183-L187 VanDerWaalsContact O-CG 3.29Å; E183-L187 WeakPolarHBondContact O-CG 3.44Å; E183-L187 PolarHBondContact O-N 2.94Å
184L93.8Very high92.6Very high0 Ų065.2 Ų65.20%036%0.355CS..Hα-helixtrans-62-41.7175.6-177.260.3000111.3L170 R174 L179 T180 T181 L187 L188 I195 L213 I216 L217L170-L184 HydrophobicContact CD1-CD2 4.17Å; R174-L184 HydrophobicContact CB-CD2 4.33Å; R174-L184 HydrophobicContact CG-CB 4.3Å; R174-L184 HydrophobicContact CG-CD2 4.03Å; L179-L184 HydrophobicContact CD1-CD1 4.49Å; T180-L184 PolarHBondContact O-N 2.98Å; T181-L184 PolarHBondContact O-N 3.48Å; L184-L187 PolarHBondContact O-N 3.11Å; L184-L188 HydrophobicContact CD1-CD1 3.84Å; L184-L188 HydrophobicContact CD1-CG 4.33Å; L184-L188 HydrophobicContact CG-CD1 3.89Å; L184-L188 WeakPolarHBondContact O-CB 3.22Å; L184-L188 WeakPolarHBondContact O-CG 3.12Å; L184-L188 PolarHBondContact O-N 3.33Å; L184-L188 VanDerWaalsContact O-N 3.16Å; L184-I195 HydrophobicContact CD2-CD1 4.31Å; L184-I195 HydrophobicContact CD2-CG2 4.04Å; L184-I195 HydrophobicContact CG-CD1 4.24Å; L184-L213 HydrophobicContact CD1-CD2 4.43Å; L184-L213 HydrophobicContact CD2-CD2 4.32Å; L184-I216 HydrophobicContact CD1-CG2 3.66Å; L184-L217 HydrophobicContact CD1-CD2 4.2Å
185A94.7Very high92.5Very high3 Ų364.4 Ų64.43%0.02535%0.352CS..Hα-helixtrans-59.6-48175.400000111.9T181 E183 L187 L188 D189 L190 E192 I195T181-A185 WeakPolarHBondContact O-CB 3.44Å; T181-A185 PolarHBondContact O-N 3.32Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3Å; A185-L187 VanDerWaalsContact C-N 3.34Å; A185-L187 PolarHBondContact O-N 3.18Å; A185-L188 CarbonylContact O-C 3.53Å; A185-L188 PolarHBondContact O-N 3.04Å; A185-L188 VanDerWaalsContact O-N 3.13Å; A185-D189 PolarHBondContact O-N 3.3Å; A185-D189 VanDerWaalsContact O-N 3.1Å; A185-L190 CarbonylContact C-O 3.6Å; A185-L190 WeakPolarHBondContact CB-O 3.28Å; A185-L190 PolarHBondContact O-N 3.17Å; A185-E192 HydrophobicContact CB-CB 4.2Å; A185-I195 HydrophobicContact CB-CG1 3.77Å
186R94Very high92.5Very high171 Ų17162.8 Ų62.865%0.64535%0.346SS*.Hα-helixtrans-62.3-35.9175.6-76.2-170.3-58.1-95.810.3113.7A182 E183 L188A182-R186 WeakPolarHBondContact O-CB 3.26Å; A182-R186 VanDerWaalsContact O-CG 3.29Å; A182-R186 WeakPolarHBondContact O-CG 3Å; A182-R186 PolarHBondContact O-N 2.96Å; A182-R186 VanDerWaalsContact O-N 3.1Å; A182-R186 PolarHBondContact O-NH1 3.15Å; E183-R186 PolarHBondContact O-N 3.43Å; R186-L188 PolarHBondContact O-N 3.44Å
187L91.6Very high92.5Very high100 Ų10062.8 Ų62.852%0.52434%0.338SS..Hα-helixtrans-72-19177.1-70.8170000112.9L179 E183 L184 A185 I216L179-L187 HydrophobicContact CD1-CD1 4.18Å; L179-L187 HydrophobicContact CD2-CD1 3.99Å; E183-L187 VanDerWaalsContact O-CG 3.29Å; E183-L187 WeakPolarHBondContact O-CG 3.44Å; E183-L187 PolarHBondContact O-N 2.94Å; L184-L187 PolarHBondContact O-N 3.11Å; A185-L187 VanDerWaalsContact C-N 3.34Å; A185-L187 PolarHBondContact O-N 3.18Å; L187-I216 HydrophobicContact CB-CD1 3.87Å; L187-I216 HydrophobicContact CB-CG1 4.35Å; L187-I216 HydrophobicContact CB-CG2 4.22Å; L187-I216 HydrophobicContact CD1-CG2 3.76Å; L187-I216 WeakPolarHBondContact O-CD1 3.19Å
188L89.5Confident92.6Very high25 Ų2561.6 Ų61.613%0.13133%0.327CS..Hα-helixtrans-103.9-2.8-179.3-70.3172.4000114.4L184 A185 R186 L190 I195 W198 M209 P212 L213 I216L184-L188 HydrophobicContact CD1-CD1 3.84Å; L184-L188 HydrophobicContact CD1-CG 4.33Å; L184-L188 HydrophobicContact CG-CD1 3.89Å; L184-L188 WeakPolarHBondContact O-CB 3.22Å; L184-L188 WeakPolarHBondContact O-CG 3.12Å; L184-L188 PolarHBondContact O-N 3.33Å; L184-L188 VanDerWaalsContact O-N 3.16Å; A185-L188 CarbonylContact O-C 3.53Å; A185-L188 PolarHBondContact O-N 3.04Å; A185-L188 VanDerWaalsContact O-N 3.13Å; R186-L188 PolarHBondContact O-N 3.44Å; L188-L190 HydrophobicContact CB-CD1 4.09Å; L188-L190 HydrophobicContact CB-CG 4.12Å; L188-I195 HydrophobicContact CD1-CD1 4.05Å; L188-W198 HydrophobicContact CD1-CZ3 4.44Å; L188-M209 HydrophobicContact CB-CE 3.84Å; L188-M209 HydrophobicContact CD1-CE 3.74Å; L188-M209 HydrophobicContact CD2-CE 3.53Å; L188-M209 HydrophobicContact CG-CE 3.89Å; L188-P212 HydrophobicContact CD2-CB 3.8Å; L188-L213 HydrophobicContact CD1-CD2 3.56Å; L188-L213 HydrophobicContact CD1-CG 4.3Å; L188-I216 HydrophobicContact CD2-CD1 3.31Å; L188-I216 HydrophobicContact CG-CD1 3.84Å
189D92Very high92.5Very high157 Ų15759 Ų5984%0.8430%0.298SS*.THydrogen-bonded Turntrans56.646.3-172-157.432.8000112.6A185A185-D189 PolarHBondContact O-N 3.3Å; A185-D189 VanDerWaalsContact O-N 3.1Å
190L90.9Very high92.3Very high59 Ų5960.7 Ų60.731%0.30931%0.312SS..  trans-126.4158179.8-65.6179.2000112.2A185 L188 V194 W198 M209A185-L190 CarbonylContact C-O 3.6Å; A185-L190 WeakPolarHBondContact CB-O 3.28Å; A185-L190 PolarHBondContact O-N 3.17Å; L188-L190 HydrophobicContact CB-CD1 4.09Å; L188-L190 HydrophobicContact CB-CG 4.12Å; L190-V194 HydrophobicContact CD1-CG1 4.15Å; L190-W198 HydrophobicContact CD1-CH2 3.49Å; L190-W198 VanDerWaalsContact CD1-CH2 3.49Å; L190-W198 HydrophobicContact CD1-CZ2 4.36Å; L190-W198 HydrophobicContact CD1-CZ3 4.06Å; L190-M209 HydrophobicContact CD1-CE 3.51Å; L190-M209 HydrophobicContact CD1-SD 4.28Å; L190-M209 HydrophobicContact CG-CE 4.38Å
191D93.8Very high91.6Very high130 Ų13059.6 Ų59.670%0.69532%0.315SS*.  trans-64.7141.7164.9-86.2-68.4000111.4E193 V194D191-E193 PolarHBondContact O-N 3.36Å; D191-V194 HydrophobicContact CB-CG2 4.32Å; D191-V194 WeakPolarHBondContact O-CB 3.38Å; D191-V194 PolarHBondContact O-N 2.88Å
192E95.7Very high90.8Very high77 Ų7764 Ų6436%0.3633%0.333SS..Hα-helixtrans-59.3-33-179.9-179169.8-161.600112.8T181 A182 A185 V194 I195 I196T181-E192 VanDerWaalsContact CB-OE1 3.29Å; T181-E192 WeakPolarHBondContact CB-OE1 3.19Å; T181-E192 PolarHBondContact OG1-OE1 3.46Å; A182-E192 WeakPolarHBondContact CB-OE1 3.41Å; A182-E192 WeakPolarHBondContact CB-OE2 3.28Å; A182-E192 PolarHBondContact N-OE1 3.27Å; A185-E192 HydrophobicContact CB-CB 4.2Å; E192-V194 PolarHBondContact O-N 2.75Å; E192-I195 WeakPolarHBondContact O-CB 3.44Å; E192-I195 PolarHBondContact O-N 2.64Å; E192-I196 HydrophobicContact CG-CD1 4.04Å; E192-I196 HydrophobicContact CG-CG1 4.38Å; E192-I196 PolarHBondContact O-N 2.84Å
193E93.3Very high89.9Confident101 Ų10169.2 Ų69.247%0.47235%0.349SS..Hα-helixtrans-54.4-34.5175.3-177.559.6-158.600112.5D191 I195 I196 Q197D191-E193 PolarHBondContact O-N 3.36Å; E193-I195 VanDerWaalsContact C-N 3.34Å; E193-I195 PolarHBondContact O-N 2.86Å; E193-I196 PolarHBondContact O-N 3.26Å; E193-Q197 HydrophobicContact CG-CG 4.49Å; E193-Q197 VanDerWaalsContact O-CB 3.31Å; E193-Q197 WeakPolarHBondContact O-CB 3.33Å; E193-Q197 VanDerWaalsContact O-CG 3.28Å; E193-Q197 WeakPolarHBondContact O-CG 3.2Å; E193-Q197 PolarHBondContact O-N 2.95Å; E193-Q197 PolarHBondContact OE1-NE2 2.79Å
194V90.4Very high89.1Confident40 Ų4072.8 Ų72.824%0.24237%0.366CS..Hα-helixtrans-65.8-38.6178-176.30000111.2L190 D191 E192 W198L190-V194 HydrophobicContact CD1-CG1 4.15Å; D191-V194 HydrophobicContact CB-CG2 4.32Å; D191-V194 WeakPolarHBondContact O-CB 3.38Å; D191-V194 PolarHBondContact O-N 2.88Å; E192-V194 PolarHBondContact O-N 2.75Å; V194-W198 HydrophobicContact CG1-CD2 4.13Å; V194-W198 HydrophobicContact CG1-CH2 3.83Å; V194-W198 HydrophobicContact CG1-CZ2 3.43Å; V194-W198 VanDerWaalsContact CG1-CZ2 3.43Å; V194-W198 HydrophobicContact CG1-CZ3 4.38Å; V194-W198 VanDerWaalsContact O-CG 3.29Å; V194-W198 PolarHBondContact O-N 3.36Å
195I92Very high88.2Confident0 Ų073.7 Ų73.70%037%0.372CS..Hα-helixtrans-70.6-40.5176.7-52.1-54.8000110.5T181 L184 A185 L188 E192 E193 Q197 W198 E199T181-I195 HydrophobicContact CG2-CG2 4.09Å; L184-I195 HydrophobicContact CD2-CD1 4.31Å; L184-I195 HydrophobicContact CD2-CG2 4.04Å; L184-I195 HydrophobicContact CG-CD1 4.24Å; A185-I195 HydrophobicContact CB-CG1 3.77Å; L188-I195 HydrophobicContact CD1-CD1 4.05Å; E192-I195 WeakPolarHBondContact O-CB 3.44Å; E192-I195 PolarHBondContact O-N 2.64Å; E193-I195 VanDerWaalsContact C-N 3.34Å; E193-I195 PolarHBondContact O-N 2.86Å; I195-Q197 VanDerWaalsContact C-N 3.34Å; I195-W198 HydrophobicContact CD1-CE3 3.73Å; I195-W198 HydrophobicContact CD1-CZ3 3.58Å; I195-W198 PolarHBondContact O-N 2.75Å; I195-E199 WeakPolarHBondContact O-CB 3.5Å; I195-E199 WeakPolarHBondContact O-CG 3.13Å; I195-E199 PolarHBondContact O-N 2.8Å
196I92Very high87.3Confident74 Ų7477.7 Ų77.738%0.37940%0.396SS..Hα-helixtrans-60.4-45.5175.8-66.2170.4000110.3E192 E193 E199 S200E192-I196 HydrophobicContact CG-CD1 4.04Å; E192-I196 HydrophobicContact CG-CG1 4.38Å; E192-I196 PolarHBondContact O-N 2.84Å; E193-I196 PolarHBondContact O-N 3.26Å; I196-E199 PolarHBondContact O-N 2.87Å; I196-S200 WeakPolarHBondContact O-CB 3.41Å; I196-S200 PolarHBondContact O-N 3.26Å
197Q88.6Confident86.2Confident49 Ų4977 Ų7723%0.22940%0.404CS..Hα-helixtrans-64.4-39.3176.8-79.6175.611.500113.4E193 I195 S200 G201 E202 Y203E193-Q197 HydrophobicContact CG-CG 4.49Å; E193-Q197 VanDerWaalsContact O-CB 3.31Å; E193-Q197 WeakPolarHBondContact O-CB 3.33Å; E193-Q197 VanDerWaalsContact O-CG 3.28Å; E193-Q197 WeakPolarHBondContact O-CG 3.2Å; E193-Q197 PolarHBondContact O-N 2.95Å; E193-Q197 PolarHBondContact OE1-NE2 2.79Å; I195-Q197 VanDerWaalsContact C-N 3.34Å; Q197-S200 PolarHBondContact O-OG 3.31Å; Q197-G201 PolarHBondContact O-N 2.9Å; Q197-E202 PolarHBondContact O-N 3.19Å; Q197-Y203 HydrophobicContact CB-CD2 3.99Å; Q197-Y203 HydrophobicContact CG-CD2 4.21Å; Q197-Y203 PolarHBondContact O-N 3.23Å
198W89.6Confident85.2Confident20 Ų2076.6 Ų76.68%0.07641%0.409CS..Hα-helixtrans-65.2-47.4172-68.6-18.3000111.8N167 L170 L188 L190 V194 I195 S200 G201 Y203 P205 M209 L213N167-W198 WeakPolarHBondContact CB-O 3.3Å; L170-W198 HydrophobicContact CD2-CB 3.67Å; L170-W198 HydrophobicContact CD2-CE3 4.13Å; L188-W198 HydrophobicContact CD1-CZ3 4.44Å; L190-W198 HydrophobicContact CD1-CH2 3.49Å; L190-W198 VanDerWaalsContact CD1-CH2 3.49Å; L190-W198 HydrophobicContact CD1-CZ2 4.36Å; L190-W198 HydrophobicContact CD1-CZ3 4.06Å; V194-W198 HydrophobicContact CG1-CD2 4.13Å; V194-W198 HydrophobicContact CG1-CH2 3.83Å; V194-W198 HydrophobicContact CG1-CZ2 3.43Å; V194-W198 VanDerWaalsContact CG1-CZ2 3.43Å; V194-W198 HydrophobicContact CG1-CZ3 4.38Å; V194-W198 VanDerWaalsContact O-CG 3.29Å; V194-W198 PolarHBondContact O-N 3.36Å; I195-W198 HydrophobicContact CD1-CE3 3.73Å; I195-W198 HydrophobicContact CD1-CZ3 3.58Å; I195-W198 PolarHBondContact O-N 2.75Å; W198-S200 VanDerWaalsContact C-N 3.33Å; W198-S200 PolarHBondContact O-N 3.43Å; W198-G201 PolarHBondContact O-N 2.72Å; W198-G201 VanDerWaalsContact O-N 3.1Å; W198-Y203 WeakPolarHBondContact CA-O 3.26Å; W198-P205 HydrophobicContact CB-CG 4.46Å; W198-P205 HydrophobicContact CD2-CB 4.14Å; W198-P205 HydrophobicContact CD2-CG 3.71Å; W198-P205 HydrophobicContact CE3-CB 4.41Å; W198-P205 HydrophobicContact CE3-CG 4.02Å; W198-P205 HydrophobicContact CG-CG 3.91Å; W198-P205 HydrophobicContact CH2-CB 4.48Å; W198-P205 HydrophobicContact CZ2-CB 4.15Å; W198-M209 HydrophobicContact CH2-CE 3.89Å; W198-M209 HydrophobicContact CH2-CG 3.42Å; W198-M209 VanDerWaalsContact CH2-CG 3.42Å; W198-M209 HydrophobicContact CH2-SD 3.89Å; W198-M209 HydrophobicContact CZ2-CG 4.07Å; W198-M209 HydrophobicContact CZ3-CE 4.33Å; W198-M209 HydrophobicContact CZ3-CG 4.02Å; W198-L213 HydrophobicContact CE3-CD1 4.44Å; W198-L213 HydrophobicContact CZ3-CD1 4.13Å; W198-L213 HydrophobicContact CZ3-CD2 4.3Å
199E90.8Very high84.8Confident9 Ų976.6 Ų76.64%0.04241%0.409CS..Hα-helixtrans-71.8-24.5-178.5-72.4-164.7-169.800114.1N167 L170 R171 R174 I195 I196N167-E199 PolarHBondContact ND2-O 3.49Å; L170-E199 HydrophobicContact CD2-CG 4.02Å; L170-E199 HydrophobicContact CG-CG 4.28Å; R171-E199 WeakPolarHBondContact CA-OE1 3.38Å; R171-E199 HydrophobicContact CB-CG 4.07Å; R171-E199 WeakPolarHBondContact CB-OE2 3.41Å; R171-E199 WeakPolarHBondContact CG-OE2 3.26Å; R171-E199 IonicContact CZ-OE2 2.73Å; R171-E199 IonicContact NE-OE2 3.19Å; R171-E199 PolarHBondContact NE-OE2 2.82Å; R171-E199 VanDerWaalsContact NH2-C 3.33Å; R171-E199 PolarHBondContact NH2-O 2.64Å; R171-E199 IonicContact NH2-OE2 3.23Å; R174-E199 IonicContact CZ-OE1 2.71Å; R174-E199 VanDerWaalsContact CZ-OE1 3.23Å; R174-E199 IonicContact CZ-OE2 2.79Å; R174-E199 IonicContact NE-OE1 2.66Å; R174-E199 PolarHBondContact NE-OE1 3.1Å; R174-E199 IonicContact NE-OE2 3.98Å; R174-E199 VanDerWaalsContact NH2-CD 3.34Å; R174-E199 IonicContact NH2-OE1 2.97Å; R174-E199 PolarHBondContact NH2-OE1 3.19Å; R174-E199 IonicContact NH2-OE2 2.89Å; R174-E199 PolarHBondContact NH2-OE2 3.07Å; I195-E199 WeakPolarHBondContact O-CB 3.5Å; I195-E199 WeakPolarHBondContact O-CG 3.13Å; I195-E199 PolarHBondContact O-N 2.8Å; I196-E199 PolarHBondContact O-N 2.87Å
200S85.9Confident84Confident68 Ų6870.1 Ų70.148%0.47637%0.374SS..Hα-helixtrans-69-26.417074.80000111.7I196 Q197 W198 E202I196-S200 WeakPolarHBondContact O-CB 3.41Å; I196-S200 PolarHBondContact O-N 3.26Å; Q197-S200 PolarHBondContact O-OG 3.31Å; W198-S200 VanDerWaalsContact C-N 3.33Å; W198-S200 PolarHBondContact O-N 3.43Å; S200-E202 WeakPolarHBondContact OG-CB 3.44Å; S200-E202 PolarHBondContact OG-N 2.73Å; S200-E202 VanDerWaalsContact OG-N 3.16Å
201G82Confident83.1Confident46 Ų4671.6 Ų71.647%0.47438%0.381SS..THydrogen-bonded Turntrans82.113.8-171.800000113.6N167 Q197 W198 Y203N167-G201 WeakPolarHBondContact ND2-CA 3.36Å; Q197-G201 PolarHBondContact O-N 2.9Å; W198-G201 PolarHBondContact O-N 2.72Å; W198-G201 VanDerWaalsContact O-N 3.1Å; G201-Y203 VanDerWaalsContact C-N 3.34Å
202E75.7Confident82.5Confident125 Ų12567.9 Ų67.958%0.58436%0.364SS*.SBendtrans-70-35173.4-167.8-176.4166.600111.4Q197 S200Q197-E202 PolarHBondContact O-N 3.19Å; S200-E202 WeakPolarHBondContact OG-CB 3.44Å; S200-E202 PolarHBondContact OG-N 2.73Å; S200-E202 VanDerWaalsContact OG-N 3.16Å
203Y77.6Confident81.9Confident128 Ų12864.3 Ų64.350%0.50235%0.348SS..SBendtrans-134155.5174.8-62.5-87.7000110.6Q197 W198 G201Q197-Y203 HydrophobicContact CB-CD2 3.99Å; Q197-Y203 HydrophobicContact CG-CD2 4.21Å; Q197-Y203 PolarHBondContact O-N 3.23Å; W198-Y203 WeakPolarHBondContact CA-O 3.26Å; G201-Y203 VanDerWaalsContact C-N 3.34Å
204E77.7Confident81.3Confident147 Ų14759.5 Ų59.569%0.68733%0.325SS*.PPolyproline II helixtrans-103.4148.9171.1-63.8-168146.600110.9I166I166-E204 HydrophobicContact CG2-CG 4.12Å
205P75.1Confident80.6Confident19 Ų1963.3 Ų63.312%0.12334%0.344CS..PPolyproline II helixtrans-58.6138.3169-17.828.4000111I166 W198 M209 L213I166-P205 HydrophobicContact CD1-CG 4.34Å; W198-P205 HydrophobicContact CB-CG 4.46Å; W198-P205 HydrophobicContact CD2-CB 4.14Å; W198-P205 HydrophobicContact CD2-CG 3.71Å; W198-P205 HydrophobicContact CE3-CB 4.41Å; W198-P205 HydrophobicContact CE3-CG 4.02Å; W198-P205 HydrophobicContact CG-CG 3.91Å; W198-P205 HydrophobicContact CH2-CB 4.48Å; W198-P205 HydrophobicContact CZ2-CB 4.15Å; P205-M209 HydrophobicContact CB-CB 3.98Å; P205-M209 HydrophobicContact CB-CG 4.28Å; P205-L213 HydrophobicContact CB-CD1 3.78Å; P205-L213 HydrophobicContact CG-CD1 3.88Å
206T75.3Confident80.4Confident87 Ų8765.9 Ų65.953%0.53436%0.358SS..PPolyproline II helixtrans-64.5155.5173.356.90000110.8S208 M209T206-S208 PolarHBondContact O-N 2.95Å; T206-S208 VanDerWaalsContact O-N 3.12Å; T206-S208 PolarHBondContact OG1-OG 2.87Å; T206-M209 WeakPolarHBondContact O-CA 3.41Å; T206-M209 WeakPolarHBondContact O-CB 3.46Å; T206-M209 PolarHBondContact O-N 3.42Å
207I70.2Confident80.1Confident156 Ų15662.4 Ų62.480%0.834%0.34SS*.G310 helixtrans-57.2-31.2-179.4-167.5167.9000113.2M209 L210I207-M209 PolarHBondContact O-N 2.79Å; I207-L210 WeakPolarHBondContact O-CB 3.13Å; I207-L210 PolarHBondContact O-N 3.3Å
208S71.8Confident79.9Confident91 Ų9162.8 Ų62.864%0.63636%0.356SS*.G310 helixtrans-64.2-23.6172.839.60000113.8T206 P212T206-S208 PolarHBondContact O-N 2.95Å; T206-S208 VanDerWaalsContact O-N 3.12Å; T206-S208 PolarHBondContact OG1-OG 2.87Å; S208-P212 VanDerWaalsContact O-CD 3.3Å; S208-P212 WeakPolarHBondContact O-CD 3.45Å
209M81.2Confident79.5Confident26 Ų2662.4 Ų62.413%0.12836%0.357CS..G310 helixtrans-84.5-20.1-178.3-15371.1-157.400113.5L188 L190 W198 P205 T206 I207 I211 P212 L213L188-M209 HydrophobicContact CB-CE 3.84Å; L188-M209 HydrophobicContact CD1-CE 3.74Å; L188-M209 HydrophobicContact CD2-CE 3.53Å; L188-M209 HydrophobicContact CG-CE 3.89Å; L190-M209 HydrophobicContact CD1-CE 3.51Å; L190-M209 HydrophobicContact CD1-SD 4.28Å; L190-M209 HydrophobicContact CG-CE 4.38Å; W198-M209 HydrophobicContact CH2-CE 3.89Å; W198-M209 HydrophobicContact CH2-CG 3.42Å; W198-M209 VanDerWaalsContact CH2-CG 3.42Å; W198-M209 HydrophobicContact CH2-SD 3.89Å; W198-M209 HydrophobicContact CZ2-CG 4.07Å; W198-M209 HydrophobicContact CZ3-CE 4.33Å; W198-M209 HydrophobicContact CZ3-CG 4.02Å; P205-M209 HydrophobicContact CB-CB 3.98Å; P205-M209 HydrophobicContact CB-CG 4.28Å; T206-M209 WeakPolarHBondContact O-CA 3.41Å; T206-M209 WeakPolarHBondContact O-CB 3.46Å; T206-M209 PolarHBondContact O-N 3.42Å; I207-M209 PolarHBondContact O-N 2.79Å; M209-I211 PolarHBondContact O-N 3.01Å; M209-P212 HydrophobicContact CE-CB 4.46Å; M209-P212 WeakPolarHBondContact O-CD 3.4Å; M209-L213 HydrophobicContact CB-CD1 4.33Å; M209-L213 HydrophobicContact CG-CD1 3.84Å; M209-L213 HydrophobicContact CG-CG 4.12Å; M209-L213 WeakPolarHBondContact O-CB 3.31Å; M209-L213 WeakPolarHBondContact O-CG 2.95Å; M209-L213 PolarHBondContact O-N 2.83Å
210L75.2Confident78.7Confident20 Ų2065.2 Ų65.211%0.10537%0.372CS..Hα-helixtrans-60.1-42.3-173.9-173.969.9000112.6I166 I207 A214 P221 L224 L225I166-L210 HydrophobicContact CD1-CD1 4.46Å; I207-L210 WeakPolarHBondContact O-CB 3.13Å; I207-L210 PolarHBondContact O-N 3.3Å; L210-A214 WeakPolarHBondContact O-CB 3.4Å; L210-A214 PolarHBondContact O-N 3.35Å; L210-P221 HydrophobicContact CD2-CB 4.19Å; L210-P221 HydrophobicContact CG-CB 4.15Å; L210-L224 HydrophobicContact CD1-CB 4.16Å; L210-L224 HydrophobicContact CD1-CD2 4.07Å; L210-L224 HydrophobicContact CD1-CG 4.07Å; L210-L225 HydrophobicContact CD1-CB 4Å; L210-L225 HydrophobicContact CD1-CD1 4.48Å; L210-L225 HydrophobicContact CD2-CB 3.97Å; L210-L225 HydrophobicContact CD2-CD1 4.39Å; L210-L225 HydrophobicContact CD2-CD2 4.09Å; L210-L225 HydrophobicContact CD2-CG 4.39Å
211I71.4Confident77.8Confident91 Ų9163.7 Ų63.747%0.46736%0.36SS..Hα-helixtrans-71.7-48.5-179.6-54.2-60.6000112.1M209 L213 A214 N215 P221M209-I211 PolarHBondContact O-N 3.01Å; I211-L213 VanDerWaalsContact C-N 3.33Å; I211-L213 PolarHBondContact O-N 2.94Å; I211-A214 PolarHBondContact O-N 2.97Å; I211-N215 WeakPolarHBondContact O-CB 3.49Å; I211-N215 VanDerWaalsContact O-CG 3.25Å; I211-N215 PolarHBondContact O-N 3.44Å; I211-N215 PolarHBondContact O-ND2 3.47Å; I211-P221 HydrophobicContact CD1-CB 3.75Å; I211-P221 HydrophobicContact CD1-CG 3.64Å
212P81Confident77.2Confident52 Ų5266.2 Ų66.234%0.33836%0.361SS..Hα-helixtrans-52.1-47.2170.4-29.234000113.8L188 S208 M209 N215 I216L188-P212 HydrophobicContact CD2-CB 3.8Å; S208-P212 VanDerWaalsContact O-CD 3.3Å; S208-P212 WeakPolarHBondContact O-CD 3.45Å; M209-P212 HydrophobicContact CE-CB 4.46Å; M209-P212 WeakPolarHBondContact O-CD 3.4Å; P212-N215 PolarHBondContact O-N 3.46Å; P212-I216 PolarHBondContact O-N 2.87Å; P212-I216 VanDerWaalsContact O-N 3.16Å
213L82.5Confident77.4Confident1 Ų161.5 Ų61.51%0.00534%0.338CS..Hα-helixtrans-60.4-52.6178.3-80.3168.7000111.8L170 L184 L188 W198 P205 M209 I211 N215 I216 L217 L224L170-L213 HydrophobicContact CD1-CD1 4.37Å; L170-L213 HydrophobicContact CD1-CD2 3.64Å; L184-L213 HydrophobicContact CD1-CD2 4.43Å; L184-L213 HydrophobicContact CD2-CD2 4.32Å; L188-L213 HydrophobicContact CD1-CD2 3.56Å; L188-L213 HydrophobicContact CD1-CG 4.3Å; W198-L213 HydrophobicContact CE3-CD1 4.44Å; W198-L213 HydrophobicContact CZ3-CD1 4.13Å; W198-L213 HydrophobicContact CZ3-CD2 4.3Å; P205-L213 HydrophobicContact CB-CD1 3.78Å; P205-L213 HydrophobicContact CG-CD1 3.88Å; M209-L213 HydrophobicContact CB-CD1 4.33Å; M209-L213 HydrophobicContact CG-CD1 3.84Å; M209-L213 HydrophobicContact CG-CG 4.12Å; M209-L213 WeakPolarHBondContact O-CB 3.31Å; M209-L213 WeakPolarHBondContact O-CG 2.95Å; M209-L213 PolarHBondContact O-N 2.83Å; I211-L213 VanDerWaalsContact C-N 3.33Å; I211-L213 PolarHBondContact O-N 2.94Å; L213-N215 VanDerWaalsContact C-N 3.29Å; L213-N215 PolarHBondContact O-N 3.35Å; L213-I216 PolarHBondContact O-N 3.2Å; L213-L217 HydrophobicContact CD2-CD1 4.39Å; L213-L217 VanDerWaalsContact O-CB 3.22Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 WeakPolarHBondContact O-CG 3.46Å; L213-L217 PolarHBondContact O-N 3.06Å; L213-L224 HydrophobicContact CB-CD2 3.69Å
214A80.3Confident77.2Confident0 Ų055.4 Ų55.40%031%0.314CS..Hα-helixtrans-56-42.6179.300000112.4L210 I211 L217 G218 C219 P221L210-A214 WeakPolarHBondContact O-CB 3.4Å; L210-A214 PolarHBondContact O-N 3.35Å; I211-A214 PolarHBondContact O-N 2.97Å; A214-L217 CarbonylContact O-C 3.56Å; A214-G218 PolarHBondContact O-N 2.94Å; A214-C219 WeakPolarHBondContact CB-O 3.35Å; A214-C219 PolarHBondContact O-N 3.49Å; A214-P221 HydrophobicContact CB-CB 4.05Å; A214-P221 HydrophobicContact CB-CG 3.66Å
215N76.2Confident76.9Confident120 Ų12052.5 Ų52.564%0.64230%0.303SS*.Hα-helixtrans-64.3-46178.8-72.3-20.1000113I211 P212 L213 G218I211-N215 WeakPolarHBondContact O-CB 3.49Å; I211-N215 VanDerWaalsContact O-CG 3.25Å; I211-N215 PolarHBondContact O-N 3.44Å; I211-N215 PolarHBondContact O-ND2 3.47Å; P212-N215 PolarHBondContact O-N 3.46Å; L213-N215 VanDerWaalsContact C-N 3.29Å; L213-N215 PolarHBondContact O-N 3.35Å; N215-G218 PolarHBondContact O-N 2.85Å
216I87.2Confident76.4Confident55 Ų5554.7 Ų54.728%0.28232%0.316SS..Hα-helixtrans-70.3-37.1179.5-75.5155.2000111.7L179 L184 L187 L188 P212 L213 G218L179-I216 HydrophobicContact CD1-CG2 4.01Å; L184-I216 HydrophobicContact CD1-CG2 3.66Å; L187-I216 HydrophobicContact CB-CD1 3.87Å; L187-I216 HydrophobicContact CB-CG1 4.35Å; L187-I216 HydrophobicContact CB-CG2 4.22Å; L187-I216 HydrophobicContact CD1-CG2 3.76Å; L187-I216 WeakPolarHBondContact O-CD1 3.19Å; L188-I216 HydrophobicContact CD2-CD1 3.31Å; L188-I216 HydrophobicContact CG-CD1 3.84Å; P212-I216 PolarHBondContact O-N 2.87Å; P212-I216 VanDerWaalsContact O-N 3.16Å; L213-I216 PolarHBondContact O-N 3.2Å; I216-G218 PolarHBondContact O-N 2.93Å
217L87.6Confident76.1Confident1 Ų152 Ų521%0.00531%0.306CS..THydrogen-bonded Turntrans-81.92.4178.7-64177000113.3L170 Q173 R174 C177 L179 L184 L213 A214 C219 L224L170-L217 HydrophobicContact CD1-CD1 3.71Å; Q173-L217 HydrophobicContact CB-CD1 4.48Å; Q173-L217 HydrophobicContact CG-CB 3.74Å; Q173-L217 HydrophobicContact CG-CD1 4.45Å; Q173-L217 HydrophobicContact CG-CD2 4.49Å; Q173-L217 HydrophobicContact CG-CG 4.45Å; Q173-L217 PolarHBondContact NE2-O 2.86Å; R174-L217 HydrophobicContact CB-CD2 4.05Å; C177-L217 PolarHBondContact SG-O 3.48Å; L179-L217 HydrophobicContact CD1-CD2 4.34Å; L184-L217 HydrophobicContact CD1-CD2 4.2Å; L213-L217 HydrophobicContact CD2-CD1 4.39Å; L213-L217 VanDerWaalsContact O-CB 3.22Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 WeakPolarHBondContact O-CG 3.46Å; L213-L217 PolarHBondContact O-N 3.06Å; A214-L217 CarbonylContact O-C 3.56Å; L217-C219 PolarHBondContact O-N 3.14Å; L217-C219 VanDerWaalsContact O-N 3.15Å; L217-L224 HydrophobicContact CD1-CD2 4.46Å
218G83.4Confident75.3Confident56 Ų5648.9 Ų48.958%0.57730%0.303SS*.THydrogen-bonded Turntrans55.430.6-179.600000113.7A214 N215 I216 P232A214-G218 PolarHBondContact O-N 2.94Å; N215-G218 PolarHBondContact O-N 2.85Å; I216-G218 PolarHBondContact O-N 2.93Å; G218-P232 VanDerWaalsContact O-CG 3.31Å; G218-P232 WeakPolarHBondContact O-CG 3.49Å
219C80.5Confident74.7Confident13 Ų1347.5 Ų47.59%0.08829%0.291CS..  trans-120.5162.6-173.5730000114.3Q173 A214 L217 W223 P232Q173-C219 HydrophobicContact CG-CB 4.16Å; A214-C219 WeakPolarHBondContact CB-O 3.35Å; A214-C219 PolarHBondContact O-N 3.49Å; L217-C219 PolarHBondContact O-N 3.14Å; L217-C219 VanDerWaalsContact O-N 3.15Å; C219-W223 HydrophobicContact CB-CE3 3.83Å; C219-W223 HydrophobicContact CB-CZ3 4.12Å; C219-P232 VanDerWaalsContact CA-CG 3.47Å; C219-P232 HydrophobicContact CB-CG 3.7Å
220D73.8Confident73.6Confident67 Ų6752 Ų5236%0.35832%0.32SS..  trans-73.2131.1177.6179.9-84.4000110.1M222 W223 L224D220-M222 VanDerWaalsContact C-N 3.27Å; D220-M222 PolarHBondContact O-N 3.03Å; D220-M222 VanDerWaalsContact OD1-CA 3.23Å; D220-M222 WeakPolarHBondContact OD1-CA 3.32Å; D220-M222 WeakPolarHBondContact OD1-CB 3.33Å; D220-M222 PolarHBondContact OD1-N 2.84Å; D220-W223 HydrophobicContact CB-CB 4Å; D220-W223 WeakPolarHBondContact O-CB 3.41Å; D220-W223 PolarHBondContact O-N 2.76Å; D220-W223 VanDerWaalsContact O-N 3.09Å; D220-W223 PolarHBondContact OD1-N 2.8Å; D220-L224 PolarHBondContact O-N 3.41Å
221P67.9Low72.7Confident36 Ų3654.2 Ų54.223%0.23434%0.335CS..Hα-helixtrans-59.2-34.9179.6-23.431.4000113.8L210 I211 A214 L224 L225L210-P221 HydrophobicContact CD2-CB 4.19Å; L210-P221 HydrophobicContact CG-CB 4.15Å; I211-P221 HydrophobicContact CD1-CB 3.75Å; I211-P221 HydrophobicContact CD1-CG 3.64Å; A214-P221 HydrophobicContact CB-CB 4.05Å; A214-P221 HydrophobicContact CB-CG 3.66Å; P221-L224 PolarHBondContact O-N 3.16Å; P221-L225 WeakPolarHBondContact O-CB 3.3Å; P221-L225 PolarHBondContact O-N 2.8Å
222M70.3Confident71.9Confident100 Ų10052 Ų5249%0.49333%0.327SS..Hα-helixtrans-72.3-35.3176.6-163.964.365.700110.9D220 T226 V229D220-M222 VanDerWaalsContact C-N 3.27Å; D220-M222 PolarHBondContact O-N 3.03Å; D220-M222 VanDerWaalsContact OD1-CA 3.23Å; D220-M222 WeakPolarHBondContact OD1-CA 3.32Å; D220-M222 WeakPolarHBondContact OD1-CB 3.33Å; D220-M222 PolarHBondContact OD1-N 2.84Å; M222-T226 HydrophobicContact CG-CG2 4.19Å; M222-T226 WeakPolarHBondContact O-CB 3.17Å; M222-T226 PolarHBondContact O-N 2.97Å; M222-T226 PolarHBondContact O-OG1 3.2Å; M222-T226 HydrophobicContact SD-CG2 3.61Å; M222-V229 HydrophobicContact CB-CG2 3.99Å; M222-V229 HydrophobicContact CG-CG2 3.97Å
223W79.7Confident70.7Confident25 Ų2556 Ų5610%0.09535%0.35CS..Hα-helixtrans-60.7-49.5169177.570.9000111.7R169 Q173 C219 D220 L225 G227 V229 P231R169-W223 HydrophobicContact CB-CH2 4.12Å; R169-W223 HydrophobicContact CB-CZ2 4.47Å; R169-W223 HydrophobicContact CB-CZ3 4.45Å; R169-W223 VanDerWaalsContact CD-O 3.23Å; R169-W223 WeakPolarHBondContact CD-O 3.29Å; R169-W223 HydrophobicContact CG-CH2 4.25Å; R169-W223 HydrophobicContact CG-CZ2 4.1Å; R169-W223 PolarHBondContact NE-O 2.84Å; Q173-W223 HydrophobicContact CB-CH2 3.94Å; Q173-W223 HydrophobicContact CB-CZ3 3.82Å; Q173-W223 HydrophobicContact CG-CH2 4.4Å; Q173-W223 HydrophobicContact CG-CZ3 3.96Å; C219-W223 HydrophobicContact CB-CE3 3.83Å; C219-W223 HydrophobicContact CB-CZ3 4.12Å; D220-W223 HydrophobicContact CB-CB 4Å; D220-W223 WeakPolarHBondContact O-CB 3.41Å; D220-W223 PolarHBondContact O-N 2.76Å; D220-W223 VanDerWaalsContact O-N 3.09Å; D220-W223 PolarHBondContact OD1-N 2.8Å; W223-L225 VanDerWaalsContact C-N 3.29Å; W223-L225 PolarHBondContact O-N 2.94Å; W223-G227 VanDerWaalsContact O-CA 3.28Å; W223-G227 WeakPolarHBondContact O-CA 3.32Å; W223-G227 PolarHBondContact O-N 2.71Å; W223-V229 HydrophobicContact CB-CB 4.21Å; W223-P231 HydrophobicContact CD2-CB 4.27Å; W223-P231 HydrophobicContact CZ2-CB 3.96Å
224L73.3Confident69.1Low1 Ų160.3 Ų60.31%0.00537%0.37CS..Hα-helixtrans-61.5-40-179.1-175.958.9000111.5R169 L210 L213 L217 D220 P221R169-L224 HydrophobicContact CB-CD1 4.16Å; R169-L224 PolarHBondContact NE-O 2.84Å; L210-L224 HydrophobicContact CD1-CB 4.16Å; L210-L224 HydrophobicContact CD1-CD2 4.07Å; L210-L224 HydrophobicContact CD1-CG 4.07Å; L213-L224 HydrophobicContact CB-CD2 3.69Å; L217-L224 HydrophobicContact CD1-CD2 4.46Å; D220-L224 PolarHBondContact O-N 3.41Å; P221-L224 PolarHBondContact O-N 3.16Å
225L69.9Low67.1Low86 Ų8665.7 Ų65.745%0.4541%0.405SS..Hα-helixtrans-71.2-53.7177.9-173.465000112.9R169 L210 P221 W223R169-L225 PolarHBondContact NH2-O 2.78Å; L210-L225 HydrophobicContact CD1-CB 4Å; L210-L225 HydrophobicContact CD1-CD1 4.48Å; L210-L225 HydrophobicContact CD2-CB 3.97Å; L210-L225 HydrophobicContact CD2-CD1 4.39Å; L210-L225 HydrophobicContact CD2-CD2 4.09Å; L210-L225 HydrophobicContact CD2-CG 4.39Å; P221-L225 WeakPolarHBondContact O-CB 3.3Å; P221-L225 PolarHBondContact O-N 2.8Å; W223-L225 VanDerWaalsContact C-N 3.29Å; W223-L225 PolarHBondContact O-N 2.94Å
226T66.2Low65.2Low64 Ų6465.1 Ų65.139%0.39340%0.397SS..Hα-helixtrans-104.3-26.1-165.768.30000114.7M222 A228M222-T226 HydrophobicContact CG-CG2 4.19Å; M222-T226 WeakPolarHBondContact O-CB 3.17Å; M222-T226 PolarHBondContact O-N 2.97Å; M222-T226 PolarHBondContact O-OG1 3.2Å; M222-T226 HydrophobicContact SD-CG2 3.61Å; T226-A228 PolarHBondContact O-N 2.79Å; T226-A228 WeakPolarHBondContact OG1-CB 3.36Å; T226-A228 PolarHBondContact OG1-N 3.49Å
227G69.4Low63Low32 Ų3265.3 Ų65.333%0.3340%0.403SS..SBendtrans68.71.7-166.800000115.5W223W223-G227 VanDerWaalsContact O-CA 3.28Å; W223-G227 WeakPolarHBondContact O-CA 3.32Å; W223-G227 PolarHBondContact O-N 2.71Å
228A52.8Low60.7Low89 Ų8972.7 Ų72.774%0.73644%0.438SS*.  trans-85.5-20.6-17100000114.8T226T226-A228 PolarHBondContact O-N 2.79Å; T226-A228 WeakPolarHBondContact OG1-CB 3.36Å; T226-A228 PolarHBondContact OG1-N 3.49Å
229V59.9Low58.9Low62 Ų6277.7 Ų77.738%0.37645%0.446SS..SBendtrans-83.2161173.1-173.90000109.2M222 W223M222-V229 HydrophobicContact CB-CG2 3.99Å; M222-V229 HydrophobicContact CG-CG2 3.97Å; W223-V229 HydrophobicContact CB-CB 4.21Å
230T56.8Low57.3Low121 Ų12182 Ų8274%0.74247%0.465SS*.PPolyproline II helixtrans-68135170.134.20000110.7
231P56.6Low56Low66 Ų6683.6 Ų83.643%0.42947%0.47SS..PPolyproline II helixtrans-58.3149.8170.424.5-32.6000109.8W223 V233W223-P231 HydrophobicContact CD2-CB 4.27Å; W223-P231 HydrophobicContact CZ2-CB 3.96Å; P231-V233 PolarHBondContact O-N 3.46Å; P231-V233 VanDerWaalsContact O-N 3.16Å
232P55.3Low55.1Low46 Ų4688.4 Ų88.430%0.29949%0.489SS..PPolyproline II helixtrans-60.1123.9174.5-8.719.3000109.2G218 C219 Q234G218-P232 VanDerWaalsContact O-CG 3.31Å; G218-P232 WeakPolarHBondContact O-CG 3.49Å; C219-P232 VanDerWaalsContact CA-CG 3.47Å; C219-P232 HydrophobicContact CB-CG 3.7Å; P232-Q234 PolarHBondContact O-N 2.74Å
233V55.3Low54.3Low134 Ų13488.9 Ų88.981%0.81249%0.49SS*.  trans-63.3109.2159.9179.50000105.2P231P231-V233 PolarHBondContact O-N 3.46Å; P231-V233 VanDerWaalsContact O-N 3.16Å
234Q48.5Very low53.2Low92 Ų9291.2 Ų91.243%0.4351%0.505SS..  trans-50.3134.7177.8-76.6-169.9-17.600109.1A176 P232 K236A176-Q234 PolarHBondContact O-NE2 2.84Å; P232-Q234 PolarHBondContact O-N 2.74Å; Q234-K236 PolarHBondContact O-N 2.94Å
235P37.8Very low52.3Low113 Ų11393.7 Ų93.773%0.73453%0.525SS*.  trans-59.8108.4170.825.6-31.8000106.5S237P235-S237 PolarHBondContact O-N 2.8Å
236K37.9Very low51.7Low108 Ų10893.4 Ų93.447%0.4753%0.53SS..  trans-47.5134.6170.1-67.6-177.5177.5-179.40107Q234 E238 Q240 Q241Q234-K236 PolarHBondContact O-N 2.94Å; K236-E238 PolarHBondContact O-N 3.05Å; K236-Q240 HydrophobicContact CB-CB 4.01Å; K236-Q241 HydrophobicContact CB-CG 4.12Å; K236-Q241 WeakPolarHBondContact O-CG 3.5Å; K236-Q241 PolarHBondContact O-NE2 2.85Å
237S40.6Very low51.6Low59 Ų5995.7 Ų95.741%0.41354%0.536SS..  trans-47.3143.9179.953.70000110.2P235 E239 Q240 Q241P235-S237 PolarHBondContact O-N 2.8Å; S237-E239 PolarHBondContact O-N 3.08Å; S237-Q240 WeakPolarHBondContact O-CA 3.39Å; S237-Q240 WeakPolarHBondContact O-CB 3.4Å; S237-Q240 PolarHBondContact O-N 2.92Å; S237-Q241 PolarHBondContact O-N 3.15Å
238E38Very low51.1Low156 Ų156100.5 Ų100.573%0.72955%0.55SS**Hα-helixtrans-53.2-34.5-169.7-63178.9142.700111.7K236 Q240 Q241 H242K236-E238 PolarHBondContact O-N 3.05Å; E238-Q240 PolarHBondContact O-N 2.9Å; E238-Q241 PolarHBondContact O-N 3.16Å; E238-Q241 VanDerWaalsContact O-N 3.16Å; E238-H242 PolarHBondContact O-CD2 3.5Å; E238-H242 VanDerWaalsContact O-CD2 3.24Å; E238-H242 PolarHBondContact O-N 3.42Å
239E45.6Very low51.6Low162 Ų162100.7 Ų100.776%0.75754%0.542SS*.Hα-helixtrans-53.7-42.6171.4-58.1-177.3140.700114.1S237 H243S237-E239 PolarHBondContact O-N 3.08Å; E239-H243 WeakPolarHBondContact O-CB 3.31Å; E239-H243 PolarHBondContact O-N 3.06Å
240Q48.3Very low51.9Low103 Ų103101.8 Ų101.848%0.48155%0.552SS.*Hα-helixtrans-75.1-31177.6-67.7-176.65.100112.6K236 S237 E238 N244K236-Q240 HydrophobicContact CB-CB 4.01Å; S237-Q240 WeakPolarHBondContact O-CA 3.39Å; S237-Q240 WeakPolarHBondContact O-CB 3.4Å; S237-Q240 PolarHBondContact O-N 2.92Å; E238-Q240 PolarHBondContact O-N 2.9Å; Q240-N244 PolarHBondContact O-N 3.37Å; Q240-N244 VanDerWaalsContact O-N 3.08Å
241Q45.3Very low52.1Low101 Ų10198.8 Ų98.847%0.47254%0.536SS..Hα-helixtrans-69.7-45174.3-60.3-170.826.600110.8K236 S237 E238 H243 N244 A245K236-Q241 HydrophobicContact CB-CG 4.12Å; K236-Q241 WeakPolarHBondContact O-CG 3.5Å; K236-Q241 PolarHBondContact O-NE2 2.85Å; S237-Q241 PolarHBondContact O-N 3.15Å; E238-Q241 PolarHBondContact O-N 3.16Å; E238-Q241 VanDerWaalsContact O-N 3.16Å; Q241-H243 VanDerWaalsContact C-N 3.31Å; Q241-H243 PolarHBondContact O-N 3.04Å; Q241-N244 PolarHBondContact O-N 2.93Å; Q241-A245 WeakPolarHBondContact O-CB 2.77Å; Q241-A245 PolarHBondContact O-N 2.92Å
242H49.7Very low52.5Low137 Ų137100.9 Ų100.963%0.63454%0.543SS*.Hα-helixtrans-59.6-39.2173.1-83.3-73.3000112.4E238 S246E238-H242 PolarHBondContact O-CD2 3.5Å; E238-H242 VanDerWaalsContact O-CD2 3.24Å; E238-H242 PolarHBondContact O-N 3.42Å; H242-S246 WeakPolarHBondContact O-CB 3.29Å; H242-S246 PolarHBondContact O-N 3Å; H242-S246 VanDerWaalsContact O-N 3.09Å; H242-S246 PolarHBondContact O-OG 3.21Å
243H53.6Low53.2Low110 Ų110101.6 Ų101.651%0.50955%0.549SS..Hα-helixtrans-65.5-49.4177.1-163.278.8000112.3E239 Q241 S246 Q247E239-H243 WeakPolarHBondContact O-CB 3.31Å; E239-H243 PolarHBondContact O-N 3.06Å; Q241-H243 VanDerWaalsContact C-N 3.31Å; Q241-H243 PolarHBondContact O-N 3.04Å; H243-S246 PolarHBondContact O-N 3.38Å; H243-Q247 PolarHBondContact CD2-NE2 2.81Å; H243-Q247 PolarHBondContact NE2-NE2 3.19Å; H243-Q247 WeakPolarHBondContact O-CG 3.37Å; H243-Q247 PolarHBondContact O-N 3.18Å
244N55.6Low53.8Low74 Ų74104.1 Ų104.140%0.39654%0.544SS..Hα-helixtrans-65.1-41.8-180-90.414.2000113Q240 Q241 S246 Q247 Q248Q240-N244 PolarHBondContact O-N 3.37Å; Q240-N244 VanDerWaalsContact O-N 3.08Å; Q241-N244 PolarHBondContact O-N 2.93Å; N244-S246 VanDerWaalsContact C-N 3.33Å; N244-S246 PolarHBondContact O-N 3.09Å; N244-Q247 PolarHBondContact O-N 3.2Å; N244-Q248 PolarHBondContact O-N 3.26Å
245A55.5Low54.9Low52 Ų52105.1 Ų105.143%0.4355%0.548SS..Hα-helixtrans-61-43.2175.700000111.3Q241 Q247 Q248 V249Q241-A245 WeakPolarHBondContact O-CB 2.77Å; Q241-A245 PolarHBondContact O-N 2.92Å; A245-Q247 PolarHBondContact O-N 3.07Å; A245-Q248 PolarHBondContact O-N 2.7Å; A245-V249 WeakPolarHBondContact O-CG2 3.38Å; A245-V249 PolarHBondContact O-N 2.88Å
246S58Low56.5Low80 Ų80102.3 Ų102.356%0.55954%0.535SS*.Hα-helixtrans-62.2-40.3177-58.80000112.4H242 H243 N244 C250H242-S246 WeakPolarHBondContact O-CB 3.29Å; H242-S246 PolarHBondContact O-N 3Å; H242-S246 VanDerWaalsContact O-N 3.09Å; H242-S246 PolarHBondContact O-OG 3.21Å; H243-S246 PolarHBondContact O-N 3.38Å; N244-S246 VanDerWaalsContact C-N 3.33Å; N244-S246 PolarHBondContact O-N 3.09Å; S246-C250 WeakPolarHBondContact O-CB 3.36Å; S246-C250 PolarHBondContact O-N 3.14Å; S246-C250 VanDerWaalsContact O-N 3.17Å
247Q62.4Low57.7Low113 Ų113102.7 Ų102.753%0.52854%0.541SS..Hα-helixtrans-66.3-44.3175.9-70.7-167.57.200112.6H243 N244 A245 C250 S251H243-Q247 PolarHBondContact CD2-NE2 2.81Å; H243-Q247 PolarHBondContact NE2-NE2 3.19Å; H243-Q247 WeakPolarHBondContact O-CG 3.37Å; H243-Q247 PolarHBondContact O-N 3.18Å; N244-Q247 PolarHBondContact O-N 3.2Å; A245-Q247 PolarHBondContact O-N 3.07Å; Q247-C250 WeakPolarHBondContact O-CB 3.49Å; Q247-C250 PolarHBondContact O-N 2.79Å; Q247-S251 PolarHBondContact O-N 3.28Å
248Q60.9Low59.1Low133 Ų133105.4 Ų105.462%0.62155%0.551SS**Hα-helixtrans-67.5-38.8179.5-76.3-176.3-34.400113.1N244 A245 C250 S251 L252N244-Q248 PolarHBondContact O-N 3.26Å; A245-Q248 PolarHBondContact O-N 2.7Å; Q248-C250 VanDerWaalsContact C-N 3.27Å; Q248-C250 PolarHBondContact O-N 3.46Å; Q248-S251 PolarHBondContact O-N 3.25Å; Q248-S251 PolarHBondContact O-OG 3.14Å; Q248-L252 WeakPolarHBondContact O-CB 3.33Å; Q248-L252 VanDerWaalsContact O-CG 3.32Å; Q248-L252 WeakPolarHBondContact O-CG 3.33Å; Q248-L252 PolarHBondContact O-N 3.03Å
249V61.9Low60.5Low93 Ų93106.7 Ų106.756%0.56455%0.549SS*.Hα-helixtrans-63.4-37.2173.6171.60000110.8A245 S253A245-V249 WeakPolarHBondContact O-CG2 3.38Å; A245-V249 PolarHBondContact O-N 2.88Å; V249-S253 VanDerWaalsContact O-CB 3.29Å; V249-S253 WeakPolarHBondContact O-CB 3.46Å; V249-S253 PolarHBondContact O-N 3.34Å; V249-S253 PolarHBondContact O-OG 3.23Å
250C65.8Low61.5Low85 Ų85106.9 Ų106.957%0.57455%0.547SS*.Hα-helixtrans-67.9-42.2177.2-164.60000112.6S246 Q247 Q248 R254S246-C250 WeakPolarHBondContact O-CB 3.36Å; S246-C250 PolarHBondContact O-N 3.14Å; S246-C250 VanDerWaalsContact O-N 3.17Å; Q247-C250 WeakPolarHBondContact O-CB 3.49Å; Q247-C250 PolarHBondContact O-N 2.79Å; Q248-C250 VanDerWaalsContact C-N 3.27Å; Q248-C250 PolarHBondContact O-N 3.46Å; C250-R254 WeakPolarHBondContact O-CB 3.39Å; C250-R254 PolarHBondContact O-N 2.92Å; C250-R254 VanDerWaalsContact O-N 3.11Å
251S61.5Low62.2Low58 Ų58108 Ų10841%0.40656%0.557SS.*Hα-helixtrans-66.9-46.6176.7620000112.4Q247 Q248 S253 R254 E255Q247-S251 PolarHBondContact O-N 3.28Å; Q248-S251 PolarHBondContact O-N 3.25Å; Q248-S251 PolarHBondContact O-OG 3.14Å; S251-S253 VanDerWaalsContact C-N 3.31Å; S251-S253 PolarHBondContact O-N 3.3Å; S251-R254 WeakPolarHBondContact O-CB 3.41Å; S251-R254 PolarHBondContact O-N 3.12Å; S251-R254 VanDerWaalsContact O-N 3.09Å; S251-E255 PolarHBondContact O-N 2.77Å
252L65.7Low63Low110 Ų110110.1 Ų110.158%0.57657%0.566SS**Hα-helixtrans-61.5-38.4177.7-70.8170.7000112.2Q248 R254 E255 A256Q248-L252 WeakPolarHBondContact O-CB 3.33Å; Q248-L252 VanDerWaalsContact O-CG 3.32Å; Q248-L252 WeakPolarHBondContact O-CG 3.33Å; Q248-L252 PolarHBondContact O-N 3.03Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-E255 PolarHBondContact O-N 2.56Å; L252-A256 VanDerWaalsContact O-CB 3.3Å; L252-A256 WeakPolarHBondContact O-CB 3.36Å; L252-A256 PolarHBondContact O-N 2.96Å
253S69.1Low63Low61 Ų61113 Ų11343%0.42757%0.573SS.*Hα-helixtrans-64-39.7174.5-60.90000111.9V249 S251 A256 L257V249-S253 VanDerWaalsContact O-CB 3.29Å; V249-S253 WeakPolarHBondContact O-CB 3.46Å; V249-S253 PolarHBondContact O-N 3.34Å; V249-S253 PolarHBondContact O-OG 3.23Å; S251-S253 VanDerWaalsContact C-N 3.31Å; S251-S253 PolarHBondContact O-N 3.3Å; S253-A256 PolarHBondContact O-N 2.86Å; S253-L257 WeakPolarHBondContact O-CB 3.15Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 2.78Å
254R68.8Low62.8Low187 Ų187115.4 Ų115.471%0.70658%0.584SS**Hα-helixtrans-67.6-42.3177.8-164.6174.4-171.7145.40.8111.9C250 S251 L252 L257 L258C250-R254 WeakPolarHBondContact O-CB 3.39Å; C250-R254 PolarHBondContact O-N 2.92Å; C250-R254 VanDerWaalsContact O-N 3.11Å; S251-R254 WeakPolarHBondContact O-CB 3.41Å; S251-R254 PolarHBondContact O-N 3.12Å; S251-R254 VanDerWaalsContact O-N 3.09Å; L252-R254 VanDerWaalsContact C-N 3.34Å; R254-L257 PolarHBondContact O-N 2.89Å; R254-L258 VanDerWaalsContact O-CG 3.3Å; R254-L258 WeakPolarHBondContact O-CG 3.33Å; R254-L258 PolarHBondContact O-N 2.79Å
255E71.6Confident62.2Low112 Ų112127.5 Ų127.552%0.52363%0.625SS.*Hα-helixtrans-65.8-40.3174.3-71.2-175.6178.400112.5S251 L252 L257 L258 R259S251-E255 PolarHBondContact O-N 2.77Å; L252-E255 PolarHBondContact O-N 2.56Å; E255-L257 PolarHBondContact O-N 3.34Å; E255-L258 PolarHBondContact O-N 2.8Å; E255-R259 PolarHBondContact O-N 3.09Å
256A70.6Confident62.6Low55 Ų55131.3 Ų131.346%0.45563%0.634SS.*Hα-helixtrans-64.2-38.6176.600000112.5L252 S253 K260L252-A256 VanDerWaalsContact O-CB 3.3Å; L252-A256 WeakPolarHBondContact O-CB 3.36Å; L252-A256 PolarHBondContact O-N 2.96Å; S253-A256 PolarHBondContact O-N 2.86Å; A256-K260 PolarHBondContact O-N 2.84Å; A256-K260 VanDerWaalsContact O-N 3.13Å
257L64.5Low62.8Low115 Ų115133.9 Ų133.960%0.60264%0.638SS**Hα-helixtrans-66-42.9173.3-76.1166.7000112S253 R254 E255 K260 N261S253-L257 WeakPolarHBondContact O-CB 3.15Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 2.78Å; R254-L257 PolarHBondContact O-N 2.89Å; E255-L257 PolarHBondContact O-N 3.34Å; L257-K260 PolarHBondContact O-N 2.59Å; L257-N261 PolarHBondContact O-N 2.76Å
258L69Low62.8Low117 Ų117135.1 Ų135.161%0.61364%0.644SS**Hα-helixtrans-62.3-43.4176.4-72.5168.6000111.9R254 E255 K260 N261 Q262R254-L258 VanDerWaalsContact O-CG 3.3Å; R254-L258 WeakPolarHBondContact O-CG 3.33Å; R254-L258 PolarHBondContact O-N 2.79Å; E255-L258 PolarHBondContact O-N 2.8Å; L258-K260 PolarHBondContact O-N 3.12Å; L258-N261 PolarHBondContact O-N 3.16Å; L258-Q262 PolarHBondContact O-N 2.95Å
259R68.3Low62.9Low183 Ų183135.2 Ų135.269%0.69165%0.646SS**Hα-helixtrans-63.7-37.7175.8-75-172.3-178.4-171.13113E255 Q262E255-R259 PolarHBondContact O-N 3.09Å; R259-Q262 PolarHBondContact O-N 3.48Å
260K66.8Low63Low165 Ų165137.9 Ų137.972%0.71765%0.651SS**Hα-helixtrans-67.3-35.5177.9-81.1-171.2174.2-175.50113.2A256 L257 L258 Q262A256-K260 PolarHBondContact O-N 2.84Å; A256-K260 VanDerWaalsContact O-N 3.13Å; L257-K260 PolarHBondContact O-N 2.59Å; L258-K260 PolarHBondContact O-N 3.12Å; K260-Q262 VanDerWaalsContact C-N 3.25Å; K260-Q262 PolarHBondContact O-N 3.06Å
261N62.8Low62.8Low128 Ų128141.4 Ų141.468%0.68466%0.656SS**Hα-helixtrans-75.5-9.4177.9-78.5-7.8000114.2L257 L258 Y263L257-N261 PolarHBondContact O-N 2.76Å; L258-N261 PolarHBondContact O-N 3.16Å; N261-Y263 VanDerWaalsContact C-N 3.33Å
262Q61.6Low62.9Low145 Ų145147.4 Ų147.468%0.67867%0.674SS**THydrogen-bonded Turntrans-85.5-4.5179.8-154.1168.96.900113.6L258 R259 K260L258-Q262 PolarHBondContact O-N 2.95Å; R259-Q262 PolarHBondContact O-N 3.48Å; K260-Q262 VanDerWaalsContact C-N 3.25Å; K260-Q262 PolarHBondContact O-N 3.06Å
263Y48.8Very low62.7Low198 Ų198150.2 Ų150.278%0.77668%0.681SS**THydrogen-bonded Turntrans-129.440.3-175.1-70.4-82000113.3N261N261-Y263 VanDerWaalsContact C-N 3.33Å
264Q50.9Low62.2Low160 Ų160157.7 Ų157.775%0.74870%0.703SS**  trans-122.799.4167.8-67.9-153.8-35.500111.4
265W42.6Very low61.6Low327 Ų327155 Ų155100%1.23970%0.702SS**  trans-137.50159.3-68.799.1000107.4

Retrieved 265 of 265 residues in 1988 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).