A0A096LYX3_POEFO Loading...

Signal-transducing adaptor protein 1-like

AlphaFold DB , UniProt , Accession A0A096LYX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 370 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
1M34.6Very low59.8Low247 Ų247119.2 Ų119.2100%1.21760%0.604SS**  097.40-82.2179.5173.500107.1G3M1-G3 PolarHBondContact O-N 2.77Å
2E40.8Very low61.1Low199 Ų199124.6 Ų124.693%0.9361%0.612SS**PPolyproline II helixtrans-64.8118.5172.7-86.5167.7134.600108.8R4E2-R4 PolarHBondContact O-N 3.43Å
3G48.6Very low62.4Low72 Ų72125.4 Ų125.474%0.74260%0.604SS**PPolyproline II helixtrans-65.6120.1178.800000109.5M1M1-G3 PolarHBondContact O-N 2.77Å
4R51.3Low63.8Low226 Ų226116.7 Ų116.785%0.85356%0.562SS**PPolyproline II helixtrans-56126.8170.8-68.7-174-158.5-1755.5108.1E2 H6E2-R4 PolarHBondContact O-N 3.43Å; R4-H6 PolarHBondContact O-N 3.44Å
5P57.8Low64.7Low56 Ų56114.7 Ų114.736%0.36455%0.551SS.*PPolyproline II helixtrans-61.1136.4177.623.2-30.7000109.5V10P5-V10 HydrophobicContact CB-CG2 3.79Å; P5-V10 HydrophobicContact CG-CG2 3.8Å
6H64.8Low65.5Low114 Ų114114.7 Ų114.753%0.52856%0.561SS.*PPolyproline II helixtrans-60.6135.9-178.8-173.9-76.9000109.8R4 R8 A9 V10R4-H6 PolarHBondContact O-N 3.44Å; H6-R8 WeakPolarHBondContact ND1-CB 3.45Å; H6-R8 PolarHBondContact ND1-N 2.95Å; H6-R8 PolarHBondContact O-N 3.03Å; H6-A9 HydrophobicContact CB-CB 4.49Å; H6-A9 WeakPolarHBondContact O-CA 3.4Å; H6-A9 WeakPolarHBondContact O-CB 3.42Å; H6-A9 PolarHBondContact O-N 3.43Å; H6-V10 PolarHBondContact O-N 3.45Å
7P66.9Low66.3Low98 Ų98112.8 Ų112.864%0.63655%0.553SS**Hα-helixtrans-52-37.9-175.1-29.834.6000114.4A9 V10 H11P7-A9 VanDerWaalsContact C-N 3.33Å; P7-A9 PolarHBondContact O-N 3.32Å; P7-V10 PolarHBondContact O-N 3.04Å; P7-H11 WeakPolarHBondContact O-CB 3.37Å; P7-H11 PolarHBondContact O-N 3.17Å
8R69.3Low67.1Low194 Ų194107.6 Ų107.673%0.73253%0.529SS*.Hα-helixtrans-62.3-33.6173.7-66179.2176.9177.3-3.2114.2H6 R12H6-R8 WeakPolarHBondContact ND1-CB 3.45Å; H6-R8 PolarHBondContact ND1-N 2.95Å; H6-R8 PolarHBondContact O-N 3.03Å; R8-R12 WeakPolarHBondContact O-CG 3.39Å; R8-R12 PolarHBondContact O-N 3.42Å
9A73.3Confident68Low42 Ų42106.6 Ų106.635%0.34754%0.539SS..Hα-helixtrans-73.4-42.8178.900000110.9H6 P7 H11 R12 R13H6-A9 HydrophobicContact CB-CB 4.49Å; H6-A9 WeakPolarHBondContact O-CA 3.4Å; H6-A9 WeakPolarHBondContact O-CB 3.42Å; H6-A9 PolarHBondContact O-N 3.43Å; P7-A9 VanDerWaalsContact C-N 3.33Å; P7-A9 PolarHBondContact O-N 3.32Å; A9-H11 VanDerWaalsContact C-N 3.33Å; A9-H11 PolarHBondContact O-N 3.02Å; A9-R12 PolarHBondContact O-N 3.31Å; A9-R13 WeakPolarHBondContact O-CG 3.31Å; A9-R13 PolarHBondContact O-N 3.21Å
10V76.3Confident68.9Low3 Ų3102.8 Ų102.82%0.01852%0.52CS..Hα-helixtrans-60.9-45.3175.4-178.50000110.2P5 H6 P7 R12 R13 R14P5-V10 HydrophobicContact CB-CG2 3.79Å; P5-V10 HydrophobicContact CG-CG2 3.8Å; H6-V10 PolarHBondContact O-N 3.45Å; P7-V10 PolarHBondContact O-N 3.04Å; V10-R12 PolarHBondContact O-N 3.4Å; V10-R13 PolarHBondContact O-N 3.3Å; V10-R14 HydrophobicContact CG1-CG 4.36Å; V10-R14 WeakPolarHBondContact O-CG 3.2Å; V10-R14 PolarHBondContact O-N 2.93Å
11H74.7Confident69.7Low60 Ų6099.3 Ų99.328%0.27851%0.505SS..Hα-helixtrans-60.6-46.2-179.9-167.959.6000113P7 A9 R13 R14 E15 L22 R46P7-H11 WeakPolarHBondContact O-CB 3.37Å; P7-H11 PolarHBondContact O-N 3.17Å; A9-H11 VanDerWaalsContact C-N 3.33Å; A9-H11 PolarHBondContact O-N 3.02Å; H11-R13 PolarHBondContact O-N 3.19Å; H11-R14 PolarHBondContact O-N 2.98Å; H11-E15 WeakPolarHBondContact O-CB 3.48Å; H11-E15 PolarHBondContact O-N 3.19Å; H11-L22 VanDerWaalsContact CE1-CB 3.45Å; H11-L22 WeakPolarHBondContact CE1-CB 3.4Å; H11-L22 WeakPolarHBondContact CE1-CD2 3.49Å; H11-R46 PolarHBondContact CE1-NH2 2.87Å; H11-R46 VanDerWaalsContact CE1-NH2 3.32Å; H11-R46 PolarHBondContact ND1-NH2 3.39Å
12R74.8Confident72.4Confident184 Ų18489.9 Ų89.969%0.69446%0.459SS*.Hα-helixtrans-63.1-39.1176-75.5-170.5-178.4-155.11.3112.8R8 A9 V10 E15 T16R8-R12 WeakPolarHBondContact O-CG 3.39Å; R8-R12 PolarHBondContact O-N 3.42Å; A9-R12 PolarHBondContact O-N 3.31Å; V10-R12 PolarHBondContact O-N 3.4Å; R12-E15 PolarHBondContact O-N 3.38Å; R12-T16 PolarHBondContact O-N 3.04Å; R12-T16 PolarHBondContact O-OG1 3.46Å
13R77.7Confident74.7Confident135 Ų13581.6 Ų81.651%0.50942%0.419SS..Hα-helixtrans-64.3-47.2175.4-75.1-179.7-179.2-171.3-0.3111A9 V10 H11 E15 T16 I17 D59A9-R13 WeakPolarHBondContact O-CG 3.31Å; A9-R13 PolarHBondContact O-N 3.21Å; V10-R13 PolarHBondContact O-N 3.3Å; H11-R13 PolarHBondContact O-N 3.19Å; R13-E15 VanDerWaalsContact C-N 3.29Å; R13-E15 PolarHBondContact O-N 3.5Å; R13-T16 WeakPolarHBondContact O-CB 3.49Å; R13-T16 PolarHBondContact O-N 3.03Å; R13-T16 VanDerWaalsContact O-N 3.13Å; R13-I17 VanDerWaalsContact O-CG1 3.25Å; R13-I17 WeakPolarHBondContact O-CG1 3.3Å; R13-I17 PolarHBondContact O-N 3.02Å; R13-D59 VanDerWaalsContact CD-OD2 3.29Å; R13-D59 WeakPolarHBondContact CD-OD2 3.36Å; R13-D59 IonicContact CZ-OD2 2.87Å; R13-D59 IonicContact NE-OD2 3.4Å; R13-D59 IonicContact NH1-OD2 3.59Å; R13-D59 PolarHBondContact NH1-OD2 3.28Å
14R81.9Confident76.8Confident4 Ų479.4 Ų79.42%0.01539%0.39CS..Hα-helixtrans-58.1-43174.8-70.4175.1179.8178.9-3.1111.1V10 H11 T16 I17 T18 E44 R46 Y53 N55 D56 Q58V10-R14 HydrophobicContact CG1-CG 4.36Å; V10-R14 WeakPolarHBondContact O-CG 3.2Å; V10-R14 PolarHBondContact O-N 2.93Å; H11-R14 PolarHBondContact O-N 2.98Å; R14-T16 VanDerWaalsContact C-N 3.31Å; R14-T16 PolarHBondContact O-N 3.02Å; R14-I17 PolarHBondContact O-N 3.08Å; R14-T18 WeakPolarHBondContact O-CG2 3.45Å; R14-T18 PolarHBondContact O-N 3.46Å; R14-T18 PolarHBondContact O-OG1 2.95Å; R14-T18 VanDerWaalsContact O-OG1 3.1Å; R14-E44 VanDerWaalsContact CD-OE1 3.29Å; R14-E44 WeakPolarHBondContact CD-OE1 3.35Å; R14-E44 IonicContact CZ-OE1 3.99Å; R14-E44 IonicContact NE-OE1 2.66Å; R14-E44 IonicContact NH1-OE1 2.75Å; R14-E44 PolarHBondContact NH1-OE1 3.29Å; R14-R46 VanDerWaalsContact CB-NH2 3.29Å; R14-R46 PolarHBondContact O-NH1 3.05Å; R14-Y53 HydrophobicContact CG-CE1 4Å; R14-N55 PolarHBondContact NH2-O 3.39Å; R14-N55 VanDerWaalsContact NH2-O 3.08Å; R14-D56 PolarHBondContact NH2-O 3.26Å; R14-D56 VanDerWaalsContact NH2-O 3.12Å; R14-Q58 PolarHBondContact NE-O 3.03Å; R14-Q58 PolarHBondContact NH2-O 3.12Å
15E78.5Confident78.7Confident86 Ų8670.8 Ų70.840%0.40236%0.364SS..Hα-helixtrans-60.2-40.4176.4-168.2175.1-163.600112.2H11 R12 R13 A19H11-E15 WeakPolarHBondContact O-CB 3.48Å; H11-E15 PolarHBondContact O-N 3.19Å; R12-E15 PolarHBondContact O-N 3.38Å; R13-E15 VanDerWaalsContact C-N 3.29Å; R13-E15 PolarHBondContact O-N 3.5Å; E15-A19 VanDerWaalsContact O-CA 3.31Å; E15-A19 WeakPolarHBondContact O-CA 3.1Å; E15-A19 PolarHBondContact O-N 3Å
16T77.2Confident80.3Confident115 Ų11569 Ų6971%0.70636%0.355SS*.Hα-helixtrans-65.8-42.1173.3-50.40000111.7R12 R13 R14R12-T16 PolarHBondContact O-N 3.04Å; R12-T16 PolarHBondContact O-OG1 3.46Å; R13-T16 WeakPolarHBondContact O-CB 3.49Å; R13-T16 PolarHBondContact O-N 3.03Å; R13-T16 VanDerWaalsContact O-N 3.13Å; R14-T16 VanDerWaalsContact C-N 3.31Å; R14-T16 PolarHBondContact O-N 3.02Å
17I78.9Confident81.6Confident83 Ų8366.6 Ų66.643%0.42635%0.351SS..Hα-helixtrans-69.2-44.2-178-69.5162.3000111.5R13 R14 D59R13-I17 VanDerWaalsContact O-CG1 3.25Å; R13-I17 WeakPolarHBondContact O-CG1 3.3Å; R13-I17 PolarHBondContact O-N 3.02Å; R14-I17 PolarHBondContact O-N 3.08Å; I17-D59 HydrophobicContact CD1-CB 4.44Å; I17-D59 WeakPolarHBondContact CD1-O 2.79Å
18T81.5Confident82.8Confident19 Ų1962 Ų6212%0.11732%0.321CS..Hα-helixtrans-84.3-18.8-178.165.40000112.6R14 L20 R46 F51R14-T18 WeakPolarHBondContact O-CG2 3.45Å; R14-T18 PolarHBondContact O-N 3.46Å; R14-T18 PolarHBondContact O-OG1 2.95Å; R14-T18 VanDerWaalsContact O-OG1 3.1Å; T18-L20 WeakPolarHBondContact O-CG 3.42Å; T18-L20 PolarHBondContact O-N 2.94Å; T18-L20 VanDerWaalsContact O-N 3.12Å; T18-L20 PolarHBondContact OG1-N 3.18Å; T18-L20 PolarHBondContact OG1-O 3.41Å; T18-R46 VanDerWaalsContact OG1-CD 3.29Å; T18-R46 WeakPolarHBondContact OG1-CD 3.34Å; T18-R46 PolarHBondContact OG1-NH1 3.33Å; T18-F51 HydrophobicContact CG2-CD1 4.21Å; T18-F51 HydrophobicContact CG2-CD2 4.34Å; T18-F51 HydrophobicContact CG2-CE1 3.98Å; T18-F51 HydrophobicContact CG2-CE2 4.14Å; T18-F51 HydrophobicContact CG2-CG 4.37Å; T18-F51 HydrophobicContact CG2-CZ 3.94Å
19A83Confident83.9Confident89 Ų8954.4 Ų54.474%0.73630%0.295SS*.  trans50.830.3-171.600000113.2E15E15-A19 VanDerWaalsContact O-CA 3.31Å; E15-A19 WeakPolarHBondContact O-CA 3.1Å; E15-A19 PolarHBondContact O-N 3Å
20L86Confident84.8Confident30 Ų3052.7 Ų52.716%0.15728%0.28CS..SBendtrans-136.4140.3-174-70.3170.4000109.9T18 R46 F51T18-L20 WeakPolarHBondContact O-CG 3.42Å; T18-L20 PolarHBondContact O-N 2.94Å; T18-L20 VanDerWaalsContact O-N 3.12Å; T18-L20 PolarHBondContact OG1-N 3.18Å; T18-L20 PolarHBondContact OG1-O 3.41Å; L20-R46 HydrophobicContact CB-CB 3.79Å; L20-R46 HydrophobicContact CD1-CB 4.38Å; L20-F51 HydrophobicContact CD1-CE2 4.21Å; L20-F51 HydrophobicContact CD1-CZ 4.36Å
21P86.5Confident85.5Confident30 Ų3054.8 Ų54.820%0.19529%0.289CS..  trans-69.6152.1177.430.4-35.7000111.2Y23 R46 L141P21-Y23 HydrophobicContact CB-CE1 4.18Å; P21-Y23 HydrophobicContact CG-CE1 3.63Å; P21-Y23 WeakPolarHBondContact CG-OH 3.46Å; P21-R46 WeakPolarHBondContact O-CA 3.21Å; P21-R46 WeakPolarHBondContact O-CB 3.23Å; P21-L141 HydrophobicContact CB-CD2 4.02Å; P21-L141 HydrophobicContact CG-CD2 4.12Å; P21-L141 HydrophobicContact CG-CG 4.36Å
22L90Very high86Confident49 Ų4953.2 Ų53.226%0.25728%0.282SS..EExtended strand (participates in β ladder)trans-83.8128.2173.3-178.972.9000111.3H11 H24 C25 E44 R46H11-L22 VanDerWaalsContact CE1-CB 3.45Å; H11-L22 WeakPolarHBondContact CE1-CB 3.4Å; H11-L22 WeakPolarHBondContact CE1-CD2 3.49Å; L22-H24 WeakPolarHBondContact CD1-O 3.38Å; L22-C25 HydrophobicContact CD1-CB 4.17Å; L22-C25 HydrophobicContact CD2-CB 4.15Å; L22-E44 HydrophobicContact CD1-CB 3.74Å; L22-E44 HydrophobicContact CD1-CG 4.05Å; L22-R46 HydrophobicContact CD1-CG 4.07Å
23Y90.3Very high86Confident24 Ų2450.3 Ų50.39%0.09428%0.28CS..EExtended strand (participates in β ladder)trans-101.2-46.2175.7-60.3-34.9000112.5P21 L45 G47 L116 M138 L141 E142P21-Y23 HydrophobicContact CB-CE1 4.18Å; P21-Y23 HydrophobicContact CG-CE1 3.63Å; P21-Y23 WeakPolarHBondContact CG-OH 3.46Å; Y23-L45 PolarHBondContact N-O 3.17Å; Y23-G47 VanDerWaalsContact CE2-CA 3.49Å; Y23-G47 WeakPolarHBondContact CE2-O 3.4Å; Y23-L116 HydrophobicContact CD2-CD1 4.13Å; Y23-L116 HydrophobicContact CD2-CD2 3.92Å; Y23-L116 HydrophobicContact CE2-CD2 3.82Å; Y23-M138 HydrophobicContact CD1-CB 4.33Å; Y23-M138 HydrophobicContact CD1-CG 3.65Å; Y23-M138 HydrophobicContact CD2-CG 3.93Å; Y23-M138 HydrophobicContact CE1-CG 4.25Å; Y23-M138 HydrophobicContact CE2-CG 4.47Å; Y23-M138 HydrophobicContact CG-CB 4.5Å; Y23-M138 HydrophobicContact CG-CG 3.47Å; Y23-M138 VanDerWaalsContact CG-CG 3.47Å; Y23-L141 HydrophobicContact CD1-CD2 4.29Å; Y23-L141 HydrophobicContact CE1-CB 4.31Å; Y23-L141 HydrophobicContact CE1-CD2 3.67Å; Y23-L141 HydrophobicContact CE1-CG 3.93Å; Y23-E142 HydrophobicContact CE2-CB 4.46Å; Y23-E142 PolarHBondContact OH-OE2 3.38Å
24H91.5Very high86Confident27 Ų2753.8 Ų53.813%0.12530%0.299CS..EExtended strand (participates in β ladder)trans-153149.5-179.5-169.868.2000110.7L22 L45 E108 W109 F112L22-H24 WeakPolarHBondContact CD1-O 3.38Å; H24-L45 HydrophobicContact CB-CB 4.27Å; H24-L45 HydrophobicContact CB-CD2 4.31Å; H24-L45 PolarHBondContact O-N 2.9Å; H24-E108 IonicContact CE1-OE2 3.11Å; H24-E108 PolarHBondContact CE1-OE2 3.03Å; H24-E108 IonicContact NE2-OE2 3.75Å; H24-W109 AromaticContact CD2-CD2 3.64Å; H24-W109 AromaticContact CD2-CE2 3.56Å; H24-W109 AromaticContact CD2-CE3 3.83Å; H24-W109 AromaticContact CD2-CH2 3.9Å; H24-W109 AromaticContact CD2-CZ2 3.72Å; H24-W109 AromaticContact CD2-CZ3 3.95Å; H24-W109 AromaticContact NE2-CD2 3.99Å; H24-W109 AromaticContact NE2-CE2 3.7Å; H24-W109 AromaticContact NE2-NE1 3.76Å; H24-F112 HydrophobicContact CB-CB 4.48Å; H24-F112 HydrophobicContact CB-CD1 3.95Å; H24-F112 HydrophobicContact CB-CD2 3.86Å; H24-F112 HydrophobicContact CB-CE1 4.13Å; H24-F112 HydrophobicContact CB-CE2 4.06Å; H24-F112 HydrophobicContact CB-CG 3.84Å; H24-F112 HydrophobicContact CB-CZ 4.2Å; H24-F112 AromaticContact CG-CD2 3.67Å; H24-F112 AromaticContact CG-CE2 3.81Å; H24-F112 AromaticContact ND1-CD2 3.8Å; H24-F112 AromaticContact ND1-CE2 3.49Å; H24-F112 WeakPolarHBondContact ND1-CE2 3.34Å
25C91.7Very high86Confident45 Ų4555.8 Ų55.830%0.30431%0.308SS..EExtended strand (participates in β ladder)trans-147.8152.7177.764.10000111.4L22 Y42 G43 E44L22-C25 HydrophobicContact CD1-CB 4.17Å; L22-C25 HydrophobicContact CD2-CB 4.15Å; C25-Y42 HydrophobicContact CB-CE1 4.23Å; C25-Y42 WeakPolarHBondContact CB-OH 3.35Å; C25-Y42 PolarHBondContact SG-OH 3.11Å; C25-G43 WeakPolarHBondContact CA-O 3.32Å; C25-E44 HydrophobicContact CB-CG 4.02Å
26G91.3Very high85.9Confident18 Ų1860.5 Ų60.519%0.18633%0.327CS..EExtended strand (participates in β ladder)trans172.2165.6-179.300000112.5G43G26-G43 PolarHBondContact N-O 3.25Å; G26-G43 PolarHBondContact O-N 3.43Å
27S91.6Very high86.4Confident64 Ų6461 Ų6145%0.44833%0.326SS..EExtended strand (participates in β ladder)trans-72.5137.1171.4-57.30000109.8F41S27-F41 WeakPolarHBondContact CA-O 3.28Å
28L92.4Very high86.9Confident0 Ų060 Ų600%032%0.318CS..EExtended strand (participates in β ladder)trans-147.9155.4177.265.781.9000110.7K30 N40 F41 L50 L52 L98 M100 W109L28-K30 HydrophobicContact CD1-CB 4.36Å; L28-N40 PolarHBondContact O-OD1 3.45Å; L28-F41 HydrophobicContact CD1-CB 4.37Å; L28-F41 PolarHBondContact N-O 3.44Å; L28-F41 PolarHBondContact O-N 3.11Å; L28-L50 HydrophobicContact CD2-CD1 4.46Å; L28-L50 HydrophobicContact CD2-CD2 4.36Å; L28-L52 HydrophobicContact CD1-CD2 3.78Å; L28-L52 HydrophobicContact CD2-CD2 4.22Å; L28-L52 HydrophobicContact CG-CD2 4.32Å; L28-L98 HydrophobicContact CD1-CD2 4.09Å; L28-M100 HydrophobicContact CB-CE 3.7Å; L28-M100 HydrophobicContact CB-SD 3.36Å; L28-M100 WeakPolarHBondContact CB-SD 3.49Å; L28-M100 HydrophobicContact CD2-CE 4.35Å; L28-W109 HydrophobicContact CD2-CH2 3.96Å; L28-W109 HydrophobicContact CD2-CZ2 3.9Å; L28-W109 HydrophobicContact CD2-CZ3 4.32Å
29L92.2Very high87.3Confident35 Ų3565.3 Ų65.318%0.18334%0.336CS..EExtended strand (participates in β ladder)trans-102.9130.5172.8-67.7101.6000110F38 R39 L98 K99L29-F38 HydrophobicContact CB-CB 4.06Å; L29-F38 HydrophobicContact CB-CD1 3.91Å; L29-F38 HydrophobicContact CB-CG 4.32Å; L29-F38 HydrophobicContact CD2-CB 3.77Å; L29-R39 CarbonylContact C-O 3.57Å; L29-R39 VanDerWaalsContact CA-O 3.29Å; L29-R39 WeakPolarHBondContact CA-O 3.31Å; L29-L98 CarbonylContact O-C 3.58Å; L29-L98 WeakPolarHBondContact O-CA 3.29Å; L29-K99 HydrophobicContact CB-CB 4.07Å; L29-K99 HydrophobicContact CD1-CG 4.48Å; L29-K99 PolarHBondContact N-O 3.28Å; L29-K99 PolarHBondContact O-N 3.39Å
30K92Very high87.8Confident7 Ų766.1 Ų66.13%0.0333%0.328CS..EExtended strand (participates in β ladder)trans-110.9141.8175.3176.1-177.2169.4-179.40110.3L28 N32 R39 F41 L52 E63 V96 Q97 L98L28-K30 HydrophobicContact CD1-CB 4.36Å; K30-N32 WeakPolarHBondContact CE-OD1 3.47Å; K30-R39 PolarHBondContact N-O 3.37Å; K30-R39 PolarHBondContact O-N 3.47Å; K30-F41 HydrophobicContact CB-CD2 3.81Å; K30-F41 HydrophobicContact CB-CE2 3.95Å; K30-F41 HydrophobicContact CD-CE2 4.48Å; K30-L52 HydrophobicContact CD-CD1 3.51Å; K30-E63 IonicContact NZ-OE2 3.81Å; K30-E63 PolarHBondContact NZ-OE2 3.42Å; K30-V96 HydrophobicContact CD-CG1 4.03Å; K30-V96 HydrophobicContact CG-CG1 3.72Å; K30-Q97 WeakPolarHBondContact CA-O 3.47Å; K30-L98 HydrophobicContact CB-CD2 3.96Å; K30-L98 HydrophobicContact CG-CD2 4.05Å
31K90.9Very high88.1Confident47 Ų4765.4 Ų65.420%0.20432%0.324CS..EExtended strand (participates in β ladder)trans-139.2130.3168.7174.8179.3174.1177.50109.8E35 K36 F38 Q97K31-E35 WeakPolarHBondContact CE-O 3.35Å; K31-K36 VanDerWaalsContact CE-O 3.31Å; K31-K36 WeakPolarHBondContact CE-O 3.37Å; K31-K36 PolarHBondContact NZ-O 3.03Å; K31-F38 HydrophobicContact CB-CD1 3.5Å; K31-F38 VanDerWaalsContact CB-CD1 3.5Å; K31-F38 HydrophobicContact CB-CD2 4.42Å; K31-F38 HydrophobicContact CB-CE1 3.54Å; K31-F38 HydrophobicContact CB-CE2 4.46Å; K31-F38 HydrophobicContact CB-CG 3.96Å; K31-F38 HydrophobicContact CB-CZ 4.04Å; K31-F38 HydrophobicContact CD-CD2 4.07Å; K31-F38 HydrophobicContact CD-CE1 4.32Å; K31-F38 HydrophobicContact CD-CE2 3.82Å; K31-F38 HydrophobicContact CD-CG 4.42Å; K31-F38 HydrophobicContact CD-CZ 3.95Å; K31-Q97 HydrophobicContact CB-CB 4.38Å; K31-Q97 PolarHBondContact N-O 3.43Å; K31-Q97 PolarHBondContact O-N 3.05Å
32N86Confident88.3Confident27 Ų2766.3 Ų66.314%0.14432%0.324CS..EExtended strand (participates in β ladder)trans-86.6154.8168.1-61.4-38.5000109.9K30 K34 E35K30-N32 WeakPolarHBondContact CE-OD1 3.47Å; N32-K34 PolarHBondContact O-N 3.4Å; N32-E35 HydrophobicContact CB-CB 4.49Å; N32-E35 HydrophobicContact CB-CG 4.16Å; N32-E35 PolarHBondContact O-N 3.02Å
33L75.8Confident88.4Confident122 Ų12264 Ų6464%0.63931%0.312SS*.THydrogen-bonded Turntrans-57.1-28177.7-157.878.9000113.4E35 E95L33-E35 VanDerWaalsContact C-N 3.34Å; L33-E95 PolarHBondContact N-O 3.4Å
34K75.9Confident88.6Confident209 Ų20963 Ų6391%0.90931%0.308SS*.THydrogen-bonded Turntrans-78.3-16.7177.3-62178.6-177172.70113.5N32N32-K34 PolarHBondContact O-N 3.4Å
35E81.9Confident88.6Confident45 Ų4561.7 Ų61.721%0.2130%0.302CS..  trans-97.9144.2-176.8-66.5-179.3156.200110.2K31 N32 L33 R39K31-E35 WeakPolarHBondContact CE-O 3.35Å; N32-E35 HydrophobicContact CB-CB 4.49Å; N32-E35 HydrophobicContact CB-CG 4.16Å; N32-E35 PolarHBondContact O-N 3.02Å; L33-E35 VanDerWaalsContact C-N 3.34Å; E35-R39 IonicContact OE1-CZ 2.73Å; E35-R39 VanDerWaalsContact OE1-CZ 3.26Å; E35-R39 IonicContact OE1-NH1 3.96Å; E35-R39 PolarHBondContact OE1-NH1 3.06Å; E35-R39 IonicContact OE1-NH2 3.85Å; E35-R39 PolarHBondContact OE1-NH2 3.34Å; E35-R39 IonicContact OE2-NH1 2.76Å
36K77.7Confident88.6Confident186 Ų18659.6 Ų59.681%0.80929%0.287SS*.SBendtrans-81.6-38.9-179.1-69.8-173.7177.3-1780112.2K31K31-K36 VanDerWaalsContact CE-O 3.31Å; K31-K36 WeakPolarHBondContact CE-O 3.37Å; K31-K36 PolarHBondContact NZ-O 3.03Å
37D87.1Confident88.4Confident125 Ų12558.7 Ų58.767%0.66828%0.279SS*.SBendtrans-116.1153.7-170.5-58.1-46.7000112.9
38F89.2Confident88.3Confident61 Ų6157.4 Ų57.427%0.26827%0.268SS..  trans-76.9135.9173.5-78.2-86000111.3L29 K31 I86 Q97 K99L29-F38 HydrophobicContact CB-CB 4.06Å; L29-F38 HydrophobicContact CB-CD1 3.91Å; L29-F38 HydrophobicContact CB-CG 4.32Å; L29-F38 HydrophobicContact CD2-CB 3.77Å; K31-F38 HydrophobicContact CB-CD1 3.5Å; K31-F38 VanDerWaalsContact CB-CD1 3.5Å; K31-F38 HydrophobicContact CB-CD2 4.42Å; K31-F38 HydrophobicContact CB-CE1 3.54Å; K31-F38 HydrophobicContact CB-CE2 4.46Å; K31-F38 HydrophobicContact CB-CG 3.96Å; K31-F38 HydrophobicContact CB-CZ 4.04Å; K31-F38 HydrophobicContact CD-CD2 4.07Å; K31-F38 HydrophobicContact CD-CE1 4.32Å; K31-F38 HydrophobicContact CD-CE2 3.82Å; K31-F38 HydrophobicContact CD-CG 4.42Å; K31-F38 HydrophobicContact CD-CZ 3.95Å; F38-I86 HydrophobicContact CZ-CD1 4.46Å; F38-I86 HydrophobicContact CZ-CG2 4.48Å; F38-Q97 HydrophobicContact CE1-CB 4.25Å; F38-Q97 HydrophobicContact CZ-CB 4.43Å; F38-K99 HydrophobicContact CD1-CB 3.97Å; F38-K99 HydrophobicContact CE1-CB 3.62Å; F38-K99 HydrophobicContact CE1-CD 4.44Å; F38-K99 HydrophobicContact CE2-CD 4.44Å; F38-K99 HydrophobicContact CZ-CB 4.16Å; F38-K99 HydrophobicContact CZ-CD 4.4Å
39R90.9Very high88.2Confident131 Ų13158.4 Ų58.449%0.49427%0.274SS..EExtended strand (participates in β ladder)trans-107.9138173.5-68.8-179.9-179.6150.99.7110.3L29 K30 E35 F41L29-R39 CarbonylContact C-O 3.57Å; L29-R39 VanDerWaalsContact CA-O 3.29Å; L29-R39 WeakPolarHBondContact CA-O 3.31Å; K30-R39 PolarHBondContact N-O 3.37Å; K30-R39 PolarHBondContact O-N 3.47Å; E35-R39 IonicContact OE1-CZ 2.73Å; E35-R39 VanDerWaalsContact OE1-CZ 3.26Å; E35-R39 IonicContact OE1-NH1 3.96Å; E35-R39 PolarHBondContact OE1-NH1 3.06Å; E35-R39 IonicContact OE1-NH2 3.85Å; E35-R39 PolarHBondContact OE1-NH2 3.34Å; E35-R39 IonicContact OE2-NH1 2.76Å; R39-F41 HydrophobicContact CB-CD2 4.23Å; R39-F41 HydrophobicContact CB-CE2 3.54Å; R39-F41 HydrophobicContact CB-CZ 4.19Å; R39-F41 WeakPolarHBondContact O-CD2 3.23Å
40N92.1Very high88.3Confident107 Ų10756.8 Ų56.857%0.57227%0.265SS*.EExtended strand (participates in β ladder)trans-80.5135.2177.8-170.415.4000110.7L28L28-N40 PolarHBondContact O-OD1 3.45Å
41F92.1Very high88.3Confident14 Ų1457 Ų576%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-139.4153.5176.2-68.6-84.6000110.3S27 L28 K30 R39 L52 Y53S27-F41 WeakPolarHBondContact CA-O 3.28Å; L28-F41 HydrophobicContact CD1-CB 4.37Å; L28-F41 PolarHBondContact N-O 3.44Å; L28-F41 PolarHBondContact O-N 3.11Å; K30-F41 HydrophobicContact CB-CD2 3.81Å; K30-F41 HydrophobicContact CB-CE2 3.95Å; K30-F41 HydrophobicContact CD-CE2 4.48Å; R39-F41 HydrophobicContact CB-CD2 4.23Å; R39-F41 HydrophobicContact CB-CE2 3.54Å; R39-F41 HydrophobicContact CB-CZ 4.19Å; R39-F41 WeakPolarHBondContact O-CD2 3.23Å; F41-L52 HydrophobicContact CB-CB 4.3Å; F41-L52 HydrophobicContact CB-CD2 4.06Å; F41-L52 HydrophobicContact CD1-CB 4.04Å; F41-L52 HydrophobicContact CG-CB 4.25Å; F41-Y53 WeakPolarHBondContact CA-O 3.37Å
42Y92.1Very high88.4Confident50 Ų5054.7 Ų54.720%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-90.8114.4161.9-172.2-100.6000108.4C25 E44 Y53 D56C25-Y42 HydrophobicContact CB-CE1 4.23Å; C25-Y42 WeakPolarHBondContact CB-OH 3.35Å; C25-Y42 PolarHBondContact SG-OH 3.11Å; Y42-E44 HydrophobicContact CD1-CG 4.1Å; Y42-E44 HydrophobicContact CE1-CG 3.72Å; Y42-Y53 HydrophobicContact CD1-CD2 4.41Å; Y42-Y53 PolarHBondContact N-O 3.44Å; Y42-Y53 WeakPolarHBondContact O-CD2 3.25Å; Y42-Y53 PolarHBondContact O-N 3.47Å; Y42-D56 HydrophobicContact CD2-CB 4.29Å; Y42-D56 HydrophobicContact CE2-CB 4.45Å; Y42-D56 HydrophobicContact CG-CB 4.34Å
43G92.1Very high88.7Confident0 Ų053.5 Ų53.50%025%0.25CC..EExtended strand (participates in β ladder)trans-93.1136.1-18000000111.8C25 G26 F51C25-G43 WeakPolarHBondContact CA-O 3.32Å; G26-G43 PolarHBondContact N-O 3.25Å; G26-G43 PolarHBondContact O-N 3.43Å; G43-F51 CarbonylContact C-O 3.55Å; G43-F51 WeakPolarHBondContact CA-O 3.29Å
44E93.5Very high89.3Confident3 Ų353.8 Ų53.81%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-126.1125.1167.2-64.9-171.216800110.3R14 L22 C25 Y42 R46 F51 Y53R14-E44 VanDerWaalsContact CD-OE1 3.29Å; R14-E44 WeakPolarHBondContact CD-OE1 3.35Å; R14-E44 IonicContact CZ-OE1 3.99Å; R14-E44 IonicContact NE-OE1 2.66Å; R14-E44 IonicContact NH1-OE1 2.75Å; R14-E44 PolarHBondContact NH1-OE1 3.29Å; L22-E44 HydrophobicContact CD1-CB 3.74Å; L22-E44 HydrophobicContact CD1-CG 4.05Å; C25-E44 HydrophobicContact CB-CG 4.02Å; Y42-E44 HydrophobicContact CD1-CG 4.1Å; Y42-E44 HydrophobicContact CE1-CG 3.72Å; E44-R46 HydrophobicContact CB-CG 4.46Å; E44-R46 IonicContact OE1-NH2 3.96Å; E44-R46 IonicContact OE2-CZ 3.33Å; E44-R46 IonicContact OE2-NE 3.96Å; E44-R46 PolarHBondContact OE2-NE 3.18Å; E44-R46 IonicContact OE2-NH2 3.98Å; E44-R46 PolarHBondContact OE2-NH2 3.33Å; E44-F51 PolarHBondContact N-O 2.71Å; E44-F51 PolarHBondContact O-N 3.2Å; E44-Y53 HydrophobicContact CB-CE2 3.98Å; E44-Y53 HydrophobicContact CG-CD2 4.28Å; E44-Y53 HydrophobicContact CG-CE2 3.8Å; E44-Y53 PolarHBondContact OE2-OH 3.39Å
45L92.5Very high89.7Confident0 Ų048.2 Ų48.20%023%0.226CC..EExtended strand (participates in β ladder)trans-94.2115.7178.6-170.163000109.4Y23 H24 L50 L67 W109 F112 I113 L116Y23-L45 PolarHBondContact N-O 3.17Å; H24-L45 HydrophobicContact CB-CB 4.27Å; H24-L45 HydrophobicContact CB-CD2 4.31Å; H24-L45 PolarHBondContact O-N 2.9Å; L45-L50 HydrophobicContact CD1-CB 4.35Å; L45-L50 HydrophobicContact CD1-CD1 4.44Å; L45-L67 HydrophobicContact CD1-CD1 3.36Å; L45-W109 HydrophobicContact CB-CZ3 4.13Å; L45-F112 HydrophobicContact CD2-CB 3.57Å; L45-F112 HydrophobicContact CD2-CD1 4.44Å; L45-F112 HydrophobicContact CD2-CG 4.32Å; L45-I113 HydrophobicContact CD2-CG1 4.47Å; L45-L116 HydrophobicContact CD1-CD1 3.69Å; L45-L116 HydrophobicContact CD2-CD1 3.46Å; L45-L116 VanDerWaalsContact CD2-CD1 3.46Å; L45-L116 HydrophobicContact CG-CD1 3.51Å
46R90.9Very high89.5Confident0 Ų050.7 Ų50.70%024%0.241CC..EExtended strand (participates in β ladder)trans-139.5127.4-177.8-50.6-170.8175.7-154.7-10.6110.4H11 R14 T18 L20 P21 L22 E44 T48 T49 F51H11-R46 PolarHBondContact CE1-NH2 2.87Å; H11-R46 VanDerWaalsContact CE1-NH2 3.32Å; H11-R46 PolarHBondContact ND1-NH2 3.39Å; R14-R46 VanDerWaalsContact CB-NH2 3.29Å; R14-R46 PolarHBondContact O-NH1 3.05Å; T18-R46 VanDerWaalsContact OG1-CD 3.29Å; T18-R46 WeakPolarHBondContact OG1-CD 3.34Å; T18-R46 PolarHBondContact OG1-NH1 3.33Å; L20-R46 HydrophobicContact CB-CB 3.79Å; L20-R46 HydrophobicContact CD1-CB 4.38Å; P21-R46 WeakPolarHBondContact O-CA 3.21Å; P21-R46 WeakPolarHBondContact O-CB 3.23Å; L22-R46 HydrophobicContact CD1-CG 4.07Å; E44-R46 HydrophobicContact CB-CG 4.46Å; E44-R46 IonicContact OE1-NH2 3.96Å; E44-R46 IonicContact OE2-CZ 3.33Å; E44-R46 IonicContact OE2-NE 3.96Å; E44-R46 PolarHBondContact OE2-NE 3.18Å; E44-R46 IonicContact OE2-NH2 3.98Å; E44-R46 PolarHBondContact OE2-NH2 3.33Å; R46-T48 PolarHBondContact O-N 2.87Å; R46-T49 PolarHBondContact N-O 3.42Å; R46-T49 PolarHBondContact O-N 2.84Å; R46-F51 HydrophobicContact CB-CD2 4.03Å; R46-F51 HydrophobicContact CB-CE2 3.91Å; R46-F51 HydrophobicContact CG-CD2 4.19Å; R46-F51 HydrophobicContact CG-CE2 4.5Å
47G88.1Confident89.5Confident0 Ų044.2 Ų44.20%022%0.217CC..THydrogen-bonded Turntrans56.3-133.5-170.600000111Y23 T49 L116Y23-G47 VanDerWaalsContact CE2-CA 3.49Å; Y23-G47 WeakPolarHBondContact CE2-O 3.4Å; G47-T49 VanDerWaalsContact C-N 3.35Å; G47-L116 WeakPolarHBondContact O-CD1 3.33Å; G47-L116 WeakPolarHBondContact O-CD2 3.49Å
48T88.3Confident89.1Confident37 Ų3741.1 Ų41.123%0.22720%0.198CC..THydrogen-bonded Turntrans-95.619.9173.655.40000112.9R46 L67 G68 E142R46-T48 PolarHBondContact O-N 2.87Å; T48-L67 WeakPolarHBondContact O-CA 3.48Å; T48-L67 VanDerWaalsContact O-CB 3.27Å; T48-L67 WeakPolarHBondContact O-CB 3.47Å; T48-L67 PolarHBondContact O-N 3.27Å; T48-G68 PolarHBondContact O-N 2.95Å; T48-E142 WeakPolarHBondContact CG2-OE1 3.25Å
49T91.5Very high88.5Confident21 Ų2140.4 Ų40.413%0.12920%0.197CC..EExtended strand (participates in β ladder)trans-127134.4-174-52.70000110.9R46 G47 F51 R64 L65R46-T49 PolarHBondContact N-O 3.42Å; R46-T49 PolarHBondContact O-N 2.84Å; G47-T49 VanDerWaalsContact C-N 3.35Å; T49-F51 HydrophobicContact CG2-CD2 4.26Å; T49-F51 HydrophobicContact CG2-CE1 4.17Å; T49-F51 HydrophobicContact CG2-CE2 3.82Å; T49-F51 HydrophobicContact CG2-CZ 3.78Å; T49-R64 HydrophobicContact CG2-CB 4.04Å; T49-L65 WeakPolarHBondContact CA-O 3.26Å; T49-L65 WeakPolarHBondContact CG2-O 3.06Å
50L93.3Very high88.1Confident0 Ų038.2 Ų38.20%020%0.199CC..EExtended strand (participates in β ladder)trans-93.9114.7170.4177.263.9000109.1L28 L45 L52 R64 L65 L67 L98 W109L28-L50 HydrophobicContact CD2-CD1 4.46Å; L28-L50 HydrophobicContact CD2-CD2 4.36Å; L45-L50 HydrophobicContact CD1-CB 4.35Å; L45-L50 HydrophobicContact CD1-CD1 4.44Å; L50-L52 HydrophobicContact CD2-CD2 4.22Å; L50-L52 HydrophobicContact CG-CD2 4.13Å; L50-L52 HydrophobicContact CG-CG 4.48Å; L50-R64 CarbonylContact O-C 3.5Å; L50-R64 WeakPolarHBondContact O-CA 3.41Å; L50-L65 HydrophobicContact CB-CB 4.26Å; L50-L65 PolarHBondContact N-O 3.27Å; L50-L65 PolarHBondContact O-N 3.04Å; L50-L67 HydrophobicContact CB-CD1 4.07Å; L50-L67 HydrophobicContact CB-CD2 4.25Å; L50-L67 HydrophobicContact CB-CG 4.25Å; L50-L98 HydrophobicContact CD2-CD1 3.8Å; L50-W109 HydrophobicContact CD1-CH2 3.99Å; L50-W109 HydrophobicContact CD1-CZ3 3.65Å
51F93.1Very high88Confident11 Ų1136.7 Ų36.75%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-94.1129.5176.6-65.3-87.4000109.9T18 L20 G43 E44 R46 T49 Y53 Y61 R64T18-F51 HydrophobicContact CG2-CD1 4.21Å; T18-F51 HydrophobicContact CG2-CD2 4.34Å; T18-F51 HydrophobicContact CG2-CE1 3.98Å; T18-F51 HydrophobicContact CG2-CE2 4.14Å; T18-F51 HydrophobicContact CG2-CG 4.37Å; T18-F51 HydrophobicContact CG2-CZ 3.94Å; L20-F51 HydrophobicContact CD1-CE2 4.21Å; L20-F51 HydrophobicContact CD1-CZ 4.36Å; G43-F51 CarbonylContact C-O 3.55Å; G43-F51 WeakPolarHBondContact CA-O 3.29Å; E44-F51 PolarHBondContact N-O 2.71Å; E44-F51 PolarHBondContact O-N 3.2Å; R46-F51 HydrophobicContact CB-CD2 4.03Å; R46-F51 HydrophobicContact CB-CE2 3.91Å; R46-F51 HydrophobicContact CG-CD2 4.19Å; R46-F51 HydrophobicContact CG-CE2 4.5Å; T49-F51 HydrophobicContact CG2-CD2 4.26Å; T49-F51 HydrophobicContact CG2-CE1 4.17Å; T49-F51 HydrophobicContact CG2-CE2 3.82Å; T49-F51 HydrophobicContact CG2-CZ 3.78Å; F51-Y53 HydrophobicContact CB-CE2 3.77Å; F51-Y61 AromaticContact CD1-CD1 3.52Å; F51-Y61 HydrophobicContact CD1-CD1 3.52Å; F51-Y61 HydrophobicContact CD1-CD2 4.24Å; F51-Y61 AromaticContact CD1-CE1 3.89Å; F51-Y61 HydrophobicContact CD1-CE1 3.89Å; F51-Y61 AromaticContact CD1-CG 3.72Å; F51-Y61 HydrophobicContact CD1-CG 3.72Å; F51-Y61 AromaticContact CE1-CD1 3.93Å; F51-Y61 HydrophobicContact CE1-CD1 3.93Å; F51-Y61 AromaticContact CE1-CE1 3.8Å; F51-Y61 HydrophobicContact CE1-CE1 3.8Å; F51-Y61 HydrophobicContact CE1-CG 4.45Å; F51-R64 HydrophobicContact CD1-CB 4.07Å; F51-R64 HydrophobicContact CE1-CB 4.25Å
52L92.6Very high87.8Confident0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-114123.5-176.9-61.2169.7000109.9L28 K30 F41 L50 S62 E63L28-L52 HydrophobicContact CD1-CD2 3.78Å; L28-L52 HydrophobicContact CD2-CD2 4.22Å; L28-L52 HydrophobicContact CG-CD2 4.32Å; K30-L52 HydrophobicContact CD-CD1 3.51Å; F41-L52 HydrophobicContact CB-CB 4.3Å; F41-L52 HydrophobicContact CB-CD2 4.06Å; F41-L52 HydrophobicContact CD1-CB 4.04Å; F41-L52 HydrophobicContact CG-CB 4.25Å; L50-L52 HydrophobicContact CD2-CD2 4.22Å; L50-L52 HydrophobicContact CG-CD2 4.13Å; L50-L52 HydrophobicContact CG-CG 4.48Å; L52-S62 PolarHBondContact O-N 3.38Å; L52-E63 HydrophobicContact CB-CB 4.13Å; L52-E63 HydrophobicContact CD1-CB 4.15Å; L52-E63 PolarHBondContact N-O 2.7Å; L52-E63 PolarHBondContact O-N 3.05Å; L52-E63 VanDerWaalsContact O-N 3.14Å
53Y91.2Very high87.7Confident1 Ų139 Ų390%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-111.7148.6178.5-55.9-98.6000109R14 F41 Y42 E44 F51 N55 Q58 T60 Y61R14-Y53 HydrophobicContact CG-CE1 4Å; F41-Y53 WeakPolarHBondContact CA-O 3.37Å; Y42-Y53 HydrophobicContact CD1-CD2 4.41Å; Y42-Y53 PolarHBondContact N-O 3.44Å; Y42-Y53 WeakPolarHBondContact O-CD2 3.25Å; Y42-Y53 PolarHBondContact O-N 3.47Å; E44-Y53 HydrophobicContact CB-CE2 3.98Å; E44-Y53 HydrophobicContact CG-CD2 4.28Å; E44-Y53 HydrophobicContact CG-CE2 3.8Å; E44-Y53 PolarHBondContact OE2-OH 3.39Å; F51-Y53 HydrophobicContact CB-CE2 3.77Å; Y53-N55 VanDerWaalsContact C-N 3.27Å; Y53-N55 WeakPolarHBondContact CB-O 3.48Å; Y53-N55 PolarHBondContact O-N 3.36Å; Y53-Q58 HydrophobicContact CD1-CB 4.44Å; Y53-T60 WeakPolarHBondContact CD1-O 3.45Å; Y53-Y61 VanDerWaalsContact CE1-N 3.32Å
54K88.6Confident87.6Confident129 Ų12947 Ų4756%0.56123%0.234SC*.SBendtrans-64.6-40.3174.3-65174.2-175.3-179.50110.4S62K54-S62 WeakPolarHBondContact CG-OG 3.46Å
55N84.2Confident87.5Confident91 Ų9147 Ų4749%0.48723%0.234SC..SBendtrans-139.7163.6-179.7-63.3-28.1000111.4R14 Y53 T57 Q58R14-N55 PolarHBondContact NH2-O 3.39Å; R14-N55 VanDerWaalsContact NH2-O 3.08Å; Y53-N55 VanDerWaalsContact C-N 3.27Å; Y53-N55 WeakPolarHBondContact CB-O 3.48Å; Y53-N55 PolarHBondContact O-N 3.36Å; N55-T57 PolarHBondContact O-N 3.11Å; N55-Q58 PolarHBondContact O-N 3.43Å
56D78.6Confident87.3Confident97 Ų9750.2 Ų50.252%0.51925%0.251SS..THydrogen-bonded Turntrans-65-17.417466-21.4000114.4R14 Y42R14-D56 PolarHBondContact NH2-O 3.26Å; R14-D56 VanDerWaalsContact NH2-O 3.12Å; Y42-D56 HydrophobicContact CD2-CB 4.29Å; Y42-D56 HydrophobicContact CE2-CB 4.45Å; Y42-D56 HydrophobicContact CG-CB 4.34Å
57T77.4Confident87.2Confident51 Ų5150.2 Ų50.231%0.31325%0.252SS..THydrogen-bonded Turntrans-90.8-10.6-177.646.20000114.9N55N55-T57 PolarHBondContact O-N 3.11Å
58Q79.1Confident87Confident59 Ų5952.4 Ų52.428%0.27627%0.274SS..  trans-79.9134.8-175.4-70.3-173-21.300112.4R14 Y53 N55R14-Q58 PolarHBondContact NE-O 3.03Å; R14-Q58 PolarHBondContact NH2-O 3.12Å; Y53-Q58 HydrophobicContact CD1-CB 4.44Å; N55-Q58 PolarHBondContact O-N 3.43Å
59D76.3Confident86.6Confident46 Ų4655.6 Ų55.625%0.24629%0.289CS..SBendtrans-75.7-29.3177.7-71.6-16.5000112.4R13 I17R13-D59 VanDerWaalsContact CD-OD2 3.29Å; R13-D59 WeakPolarHBondContact CD-OD2 3.36Å; R13-D59 IonicContact CZ-OD2 2.87Å; R13-D59 IonicContact NE-OD2 3.4Å; R13-D59 IonicContact NH1-OD2 3.59Å; R13-D59 PolarHBondContact NH1-OD2 3.28Å; I17-D59 HydrophobicContact CD1-CB 4.44Å; I17-D59 WeakPolarHBondContact CD1-O 2.79Å
60T83.2Confident86.4Confident86 Ų8655.8 Ų55.853%0.52829%0.289SS..SBendtrans-114.9142.4-176.9-46.60000112Y53Y53-T60 WeakPolarHBondContact CD1-O 3.45Å
61Y88.8Confident85.9Confident75 Ų7563.2 Ų63.229%0.29432%0.321SS..  trans-72.3146.9177.461.5-93.8000111.2F51 Y53 R64F51-Y61 AromaticContact CD1-CD1 3.52Å; F51-Y61 HydrophobicContact CD1-CD1 3.52Å; F51-Y61 HydrophobicContact CD1-CD2 4.24Å; F51-Y61 AromaticContact CD1-CE1 3.89Å; F51-Y61 HydrophobicContact CD1-CE1 3.89Å; F51-Y61 AromaticContact CD1-CG 3.72Å; F51-Y61 HydrophobicContact CD1-CG 3.72Å; F51-Y61 AromaticContact CE1-CD1 3.93Å; F51-Y61 HydrophobicContact CE1-CD1 3.93Å; F51-Y61 AromaticContact CE1-CE1 3.8Å; F51-Y61 HydrophobicContact CE1-CE1 3.8Å; F51-Y61 HydrophobicContact CE1-CG 4.45Å; Y53-Y61 VanDerWaalsContact CE1-N 3.32Å; Y61-R64 HydrophobicContact CD2-CB 4.18Å; Y61-R64 HydrophobicContact CE2-CB 4.06Å; Y61-R64 HydrophobicContact CE2-CG 4.2Å
62S89.4Confident85.4Confident51 Ų5164.7 Ų64.736%0.35733%0.333SS..SBendtrans-87.9-37.2174.3-64.80000111.7L52 K54L52-S62 PolarHBondContact O-N 3.38Å; K54-S62 WeakPolarHBondContact CG-OG 3.46Å
63E89.1Confident85.1Confident60 Ų6066.3 Ų66.328%0.2834%0.341SS..EExtended strand (participates in β ladder)trans-138.6155.8179-63.2179.1-148.800109.7K30 L52K30-E63 IonicContact NZ-OE2 3.81Å; K30-E63 PolarHBondContact NZ-OE2 3.42Å; L52-E63 HydrophobicContact CB-CB 4.13Å; L52-E63 HydrophobicContact CD1-CB 4.15Å; L52-E63 PolarHBondContact N-O 2.7Å; L52-E63 PolarHBondContact O-N 3.05Å; L52-E63 VanDerWaalsContact O-N 3.14Å
64R90.7Very high84.7Confident169 Ų16970.6 Ų70.664%0.63836%0.364SS*.EExtended strand (participates in β ladder)trans-135.1141.117269.5177.3-174.5168.93.3109.3T49 L50 F51 Y61T49-R64 HydrophobicContact CG2-CB 4.04Å; L50-R64 CarbonylContact O-C 3.5Å; L50-R64 WeakPolarHBondContact O-CA 3.41Å; F51-R64 HydrophobicContact CD1-CB 4.07Å; F51-R64 HydrophobicContact CE1-CB 4.25Å; Y61-R64 HydrophobicContact CD2-CB 4.18Å; Y61-R64 HydrophobicContact CE2-CB 4.06Å; Y61-R64 HydrophobicContact CE2-CG 4.2Å
65L89.9Confident84.2Confident3 Ų367.8 Ų67.82%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-122116.6178.6-172.667.1000108.8T49 L50 L67 L89 L91 V96T49-L65 WeakPolarHBondContact CA-O 3.26Å; T49-L65 WeakPolarHBondContact CG2-O 3.06Å; L50-L65 HydrophobicContact CB-CB 4.26Å; L50-L65 PolarHBondContact N-O 3.27Å; L50-L65 PolarHBondContact O-N 3.04Å; L65-L67 HydrophobicContact CD2-CD2 4Å; L65-L67 HydrophobicContact CG-CD2 4.16Å; L65-L67 PolarHBondContact O-N 3.24Å; L65-L89 HydrophobicContact CD2-CD1 3.59Å; L65-L91 HydrophobicContact CD1-CD1 3.74Å; L65-L91 HydrophobicContact CD1-CD2 3.45Å; L65-L91 VanDerWaalsContact CD1-CD2 3.45Å; L65-L91 HydrophobicContact CD1-CG 4.26Å; L65-L91 HydrophobicContact CD2-CD1 4.38Å; L65-L91 HydrophobicContact CG-CD1 4.36Å; L65-L91 HydrophobicContact CG-CD2 4.01Å; L65-V96 HydrophobicContact CD1-CG2 4.2Å; L65-V96 HydrophobicContact CD2-CG1 4.48Å
66D89.4Confident83.4Confident67 Ų6769.6 Ų69.636%0.35836%0.36SS..EExtended strand (participates in β ladder)trans-82.6107.2178.9-171.78.3000110.2G68 L91D66-G68 VanDerWaalsContact C-N 3.31Å; D66-G68 PolarHBondContact OD1-N 2.84Å; D66-L91 VanDerWaalsContact O-CD2 3.24Å; D66-L91 WeakPolarHBondContact O-CD2 3.34Å
67L88.8Confident82.7Confident1 Ų166.8 Ų66.81%0.00535%0.347CS..G310 helixtrans-79.6-18.3-176.6-53.3174.3000111.6L45 T48 L50 L65 L69 I70 L89 I113 V117L45-L67 HydrophobicContact CD1-CD1 3.36Å; T48-L67 WeakPolarHBondContact O-CA 3.48Å; T48-L67 VanDerWaalsContact O-CB 3.27Å; T48-L67 WeakPolarHBondContact O-CB 3.47Å; T48-L67 PolarHBondContact O-N 3.27Å; L50-L67 HydrophobicContact CB-CD1 4.07Å; L50-L67 HydrophobicContact CB-CD2 4.25Å; L50-L67 HydrophobicContact CB-CG 4.25Å; L65-L67 HydrophobicContact CD2-CD2 4Å; L65-L67 HydrophobicContact CG-CD2 4.16Å; L65-L67 PolarHBondContact O-N 3.24Å; L67-L69 PolarHBondContact O-N 3.47Å; L67-L69 VanDerWaalsContact O-N 3.09Å; L67-I70 HydrophobicContact CB-CD1 3.72Å; L67-I70 HydrophobicContact CD2-CD1 3.48Å; L67-I70 VanDerWaalsContact CD2-CD1 3.48Å; L67-I70 HydrophobicContact CG-CD1 4.18Å; L67-I70 WeakPolarHBondContact O-CB 3.4Å; L67-I70 WeakPolarHBondContact O-CG1 3.29Å; L67-I70 PolarHBondContact O-N 3.07Å; L67-I70 VanDerWaalsContact O-N 3.16Å; L67-L89 HydrophobicContact CD2-CD1 4.08Å; L67-I113 HydrophobicContact CD1-CG1 4.07Å; L67-I113 HydrophobicContact CD1-CG2 4.12Å; L67-I113 HydrophobicContact CD2-CG2 4.44Å; L67-V117 HydrophobicContact CB-CG2 4.2Å; L67-V117 WeakPolarHBondContact O-CG2 3.37Å
68G82.6Confident82Confident46 Ų4668.8 Ų68.847%0.47436%0.361SS..G310 helixtrans-63.6-16-179.800000114.3T48 D66T48-G68 PolarHBondContact O-N 2.95Å; D66-G68 VanDerWaalsContact C-N 3.31Å; D66-G68 PolarHBondContact OD1-N 2.84Å
69L80.9Confident81.3Confident104 Ų10468.4 Ų68.455%0.54536%0.358SS..G310 helixtrans-106.55.5-179.2-59178.4000113.5L67 K71 P92L67-L69 PolarHBondContact O-N 3.47Å; L67-L69 VanDerWaalsContact O-N 3.09Å; L69-K71 PolarHBondContact O-N 3.04Å; L69-P92 HydrophobicContact CB-CG 3.95Å; L69-P92 WeakPolarHBondContact O-CD 3.32Å; L69-P92 WeakPolarHBondContact O-CG 3.49Å
70I86.7Confident80.8Confident25 Ų2572.2 Ų72.213%0.12837%0.372CS..  trans-60.3132.7-179.8-72.4168.5000110.2L67 S72 L89 L91 I113 V117L67-I70 HydrophobicContact CB-CD1 3.72Å; L67-I70 HydrophobicContact CD2-CD1 3.48Å; L67-I70 VanDerWaalsContact CD2-CD1 3.48Å; L67-I70 HydrophobicContact CG-CD1 4.18Å; L67-I70 WeakPolarHBondContact O-CB 3.4Å; L67-I70 WeakPolarHBondContact O-CG1 3.29Å; L67-I70 PolarHBondContact O-N 3.07Å; L67-I70 VanDerWaalsContact O-N 3.16Å; I70-S72 VanDerWaalsContact CG2-O 3.28Å; I70-S72 WeakPolarHBondContact CG2-O 3.42Å; I70-L89 HydrophobicContact CD1-CD1 4.36Å; I70-L89 HydrophobicContact CD1-CD2 3.98Å; I70-L91 HydrophobicContact CG1-CG 4.09Å; I70-I113 HydrophobicContact CD1-CG2 4.4Å; I70-V117 HydrophobicContact CD1-CG2 4.18Å
71K83.3Confident80Confident155 Ų15575.9 Ų75.967%0.67438%0.381SS*.  trans-89.3-43.5175.7-65.6178.7177.4173.80112.2L69 S90L69-K71 PolarHBondContact O-N 3.04Å; K71-S90 PolarHBondContact N-O 3.23Å
72S83.8Confident78.9Confident43 Ų4382 Ų8230%0.30141%0.409SS..EExtended strand (participates in β ladder)trans-148.8155.2176.971.50000111.1I70 D74 S90I70-S72 VanDerWaalsContact CG2-O 3.28Å; I70-S72 WeakPolarHBondContact CG2-O 3.42Å; S72-D74 PolarHBondContact OG-OD2 3.3Å; S72-S90 PolarHBondContact O-N 2.82Å; S72-S90 WeakPolarHBondContact OG-CB 3.35Å; S72-S90 PolarHBondContact OG-OG 3.08Å
73M85.3Confident78.2Confident33 Ų3382.7 Ų82.716%0.16341%0.411CS..EExtended strand (participates in β ladder)trans-124.1113.5166.8173.9-173.6-83.600107.7F87 T88 L89 R110 I113 M114M73-F87 HydrophobicContact CE-CD2 3.66Å; M73-F87 HydrophobicContact CE-CE2 3.64Å; M73-F87 HydrophobicContact CE-CZ 4.5Å; M73-F87 HydrophobicContact CG-CB 4.3Å; M73-F87 HydrophobicContact CG-CD2 4.19Å; M73-F87 HydrophobicContact SD-CD2 4.13Å; M73-F87 HydrophobicContact SD-CG 4.46Å; M73-T88 WeakPolarHBondContact CA-O 3.43Å; M73-L89 HydrophobicContact CB-CD2 4.22Å; M73-L89 HydrophobicContact CE-CD2 3.28Å; M73-L89 HydrophobicContact CG-CD2 4.05Å; M73-R110 HydrophobicContact SD-CG 4Å; M73-I113 HydrophobicContact CE-CB 3.85Å; M73-I113 HydrophobicContact CE-CD1 4.24Å; M73-I113 HydrophobicContact CE-CG2 3.37Å; M73-M114 HydrophobicContact CB-CE 4.06Å; M73-M114 HydrophobicContact CG-CE 4.18Å; M73-M114 HydrophobicContact SD-CE 3.48Å; M73-M114 WeakPolarHBondContact SD-CE 3.27Å
74D82.1Confident77.6Confident91 Ų9182 Ų8249%0.48741%0.411SS..EExtended strand (participates in β ladder)trans-109.2136.2-177.9-66.9-67.8000109.7S72 F87 T88S72-D74 PolarHBondContact OG-OD2 3.3Å; D74-F87 CarbonylContact O-C 3.51Å; D74-F87 VanDerWaalsContact O-CA 3.27Å; D74-F87 WeakPolarHBondContact O-CA 3.43Å; D74-T88 PolarHBondContact N-O 2.76Å; D74-T88 PolarHBondContact O-N 2.81Å
75M77.9Confident77.2Confident70 Ų7074.2 Ų74.235%0.34538%0.382SS..EExtended strand (participates in β ladder)trans-104.2124.8179.9-168.6173.25500109.5S77 T85M75-S77 WeakPolarHBondContact CE-O 3.37Å; M75-S77 VanDerWaalsContact CG-O 3.31Å; M75-S77 WeakPolarHBondContact CG-O 3.4Å; M75-S77 PolarHBondContact O-N 3.14Å; M75-S77 VanDerWaalsContact SD-O 3.42Å; M75-T85 HydrophobicContact CG-CG2 4.49Å; M75-T85 HydrophobicContact SD-CG2 4.07Å
76E68.7Low77.1Confident130 Ų13075.4 Ų75.461%0.60739%0.389SS*.SBendtrans-70.7-23.3-172.7-159.3170.1-160.800112.1I86E76-I86 PolarHBondContact N-O 2.78Å; E76-I86 VanDerWaalsContact N-O 3.16Å
77S63.2Low77Confident37 Ų3772.2 Ų72.226%0.25937%0.372SS..SBendtrans-147.1140.3173.468.80000112.8M75M75-S77 WeakPolarHBondContact CE-O 3.37Å; M75-S77 VanDerWaalsContact CG-O 3.31Å; M75-S77 WeakPolarHBondContact CG-O 3.4Å; M75-S77 PolarHBondContact O-N 3.14Å; M75-S77 VanDerWaalsContact SD-O 3.42Å
78P62.3Low77.1Confident94 Ų9472.9 Ų72.961%0.6138%0.376SS*.  trans-57.8147.117323.2-31.5000111.1K80P78-K80 PolarHBondContact O-N 3.4Å; P78-K80 VanDerWaalsContact O-N 3.14Å
79Y64Low77.5Confident50 Ų5070.7 Ų70.720%0.19635%0.353CS..  trans-46.6119.6-174.8174.5-96000112.1K81 A103 D104 E107 Q126Y79-K81 HydrophobicContact CE1-CD 4.48Å; Y79-K81 HydrophobicContact CE1-CG 3.62Å; Y79-K81 WeakPolarHBondContact OH-CE 3.37Å; Y79-K81 VanDerWaalsContact OH-CG 3.26Å; Y79-K81 WeakPolarHBondContact OH-CG 3.41Å; Y79-A103 HydrophobicContact CD2-CB 4.08Å; Y79-A103 HydrophobicContact CE2-CB 3.63Å; Y79-D104 PolarHBondContact OH-OD1 3.44Å; Y79-E107 HydrophobicContact CD2-CG 3.54Å; Y79-E107 HydrophobicContact CE2-CG 3.71Å; Y79-Q126 VanDerWaalsContact CD1-OE1 3.28Å
80K67.1Low77.8Confident126 Ų12666.9 Ų66.955%0.54834%0.335SS..  trans-133113.1173.5-75177.3-175.7178.70108P78 K82 V83P78-K80 PolarHBondContact O-N 3.4Å; P78-K80 VanDerWaalsContact O-N 3.14Å; K80-K82 PolarHBondContact O-N 2.99Å; K80-V83 HydrophobicContact CB-CB 4.25Å; K80-V83 HydrophobicContact CB-CG2 4.05Å; K80-V83 HydrophobicContact CD-CG2 4.43Å; K80-V83 PolarHBondContact O-N 2.85Å
81K65.3Low77.8Confident163 Ų16366.8 Ų66.871%0.70934%0.335SS*.THydrogen-bonded Turntrans-46.7-22.2-178.7-74.9-174.1177.3-172.20116.3Y79Y79-K81 HydrophobicContact CE1-CD 4.48Å; Y79-K81 HydrophobicContact CE1-CG 3.62Å; Y79-K81 WeakPolarHBondContact OH-CE 3.37Å; Y79-K81 VanDerWaalsContact OH-CG 3.26Å; Y79-K81 WeakPolarHBondContact OH-CG 3.41Å
82K66.6Low77.8Confident205 Ų20562.4 Ų62.489%0.89132%0.322SS*.THydrogen-bonded Turntrans-103.4-2.1-175.7-63.7-173.4177.5-176.60114.4K80K80-K82 PolarHBondContact O-N 2.99Å
83V74Confident77.7Confident65 Ų6568.8 Ų68.839%0.39435%0.352SS..SBendtrans-119135.6-175.8-174.40000108.6K80 T85K80-V83 HydrophobicContact CB-CB 4.25Å; K80-V83 HydrophobicContact CB-CG2 4.05Å; K80-V83 HydrophobicContact CD-CG2 4.43Å; K80-V83 PolarHBondContact O-N 2.85Å; V83-T85 PolarHBondContact O-N 3.5Å
84P76.2Confident77.5Confident45 Ų4571.5 Ų71.529%0.29236%0.364SS..  trans-59.9132.8173.522.9-32.3000110.4I86 K99 M100P84-I86 PolarHBondContact O-N 3.32Å; P84-K99 HydrophobicContact CB-CG 4.44Å; P84-M100 WeakPolarHBondContact CB-O 3.25Å
85T82.8Confident77.8Confident5 Ų570.9 Ų70.93%0.03136%0.358CS..  trans-75.8127.1178.5-54.80000109.5M75 V83 F87 K99 M100 A103M75-T85 HydrophobicContact CG-CG2 4.49Å; M75-T85 HydrophobicContact SD-CG2 4.07Å; V83-T85 PolarHBondContact O-N 3.5Å; T85-F87 HydrophobicContact CG2-CD1 4.23Å; T85-K99 WeakPolarHBondContact O-CA 3.3Å; T85-M100 PolarHBondContact O-N 2.99Å; T85-A103 WeakPolarHBondContact OG1-CA 3.46Å
86I88.3Confident78.5Confident28 Ų2867.5 Ų67.514%0.14434%0.342CS..EExtended strand (participates in β ladder)trans-120.2124.9172.9-51.9179.6000107.5F38 E76 P84 Q97 L98 K99F38-I86 HydrophobicContact CZ-CD1 4.46Å; F38-I86 HydrophobicContact CZ-CG2 4.48Å; E76-I86 PolarHBondContact N-O 2.78Å; E76-I86 VanDerWaalsContact N-O 3.16Å; P84-I86 PolarHBondContact O-N 3.32Å; I86-Q97 HydrophobicContact CG2-CB 4.49Å; I86-L98 WeakPolarHBondContact CA-O 3.5Å; I86-K99 HydrophobicContact CD1-CD 4.14Å; I86-K99 HydrophobicContact CD1-CG 4.36Å; I86-K99 HydrophobicContact CG1-CB 3.99Å; I86-K99 HydrophobicContact CG1-CD 4.26Å; I86-K99 HydrophobicContact CG1-CG 3.93Å
87F88.3Confident79.6Confident1 Ų162.6 Ų62.60%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-128.9145.7171.755.6-94.7000110.2M73 D74 T85 L89 L98 M100 W109 I113M73-F87 HydrophobicContact CE-CD2 3.66Å; M73-F87 HydrophobicContact CE-CE2 3.64Å; M73-F87 HydrophobicContact CE-CZ 4.5Å; M73-F87 HydrophobicContact CG-CB 4.3Å; M73-F87 HydrophobicContact CG-CD2 4.19Å; M73-F87 HydrophobicContact SD-CD2 4.13Å; M73-F87 HydrophobicContact SD-CG 4.46Å; D74-F87 CarbonylContact O-C 3.51Å; D74-F87 VanDerWaalsContact O-CA 3.27Å; D74-F87 WeakPolarHBondContact O-CA 3.43Å; T85-F87 HydrophobicContact CG2-CD1 4.23Å; F87-L89 HydrophobicContact CD2-CD2 4Å; F87-L89 HydrophobicContact CD2-CG 4.29Å; F87-L89 HydrophobicContact CE2-CD2 4.12Å; F87-L89 HydrophobicContact CE2-CG 4.35Å; F87-L98 HydrophobicContact CD2-CB 4.28Å; F87-L98 HydrophobicContact CE2-CB 3.79Å; F87-L98 HydrophobicContact CE2-CD1 3.81Å; F87-L98 HydrophobicContact CE2-CG 4.21Å; F87-L98 HydrophobicContact CZ-CB 3.93Å; F87-L98 HydrophobicContact CZ-CD1 4.17Å; F87-L98 PolarHBondContact N-O 3.01Å; F87-L98 VanDerWaalsContact N-O 3.07Å; F87-L98 PolarHBondContact O-N 3.4Å; F87-M100 HydrophobicContact CE1-CE 4.01Å; F87-M100 HydrophobicContact CZ-CE 3.89Å; F87-W109 HydrophobicContact CE1-CB 4.37Å; F87-W109 HydrophobicContact CZ-CB 4.23Å; F87-I113 HydrophobicContact CE2-CD1 3.93Å; F87-I113 HydrophobicContact CZ-CD1 3.96Å
88T89.8Confident80.9Confident14 Ų1460.9 Ų60.99%0.08631%0.307CS..EExtended strand (participates in β ladder)trans-104.8124.8-177.7-52.90000108.8M73 D74 E95 Q97M73-T88 WeakPolarHBondContact CA-O 3.43Å; D74-T88 PolarHBondContact N-O 2.76Å; D74-T88 PolarHBondContact O-N 2.81Å; T88-E95 HydrophobicContact CG2-CG 3.39Å; T88-E95 WeakPolarHBondContact CG2-OE1 3.35Å; T88-Q97 HydrophobicContact CG2-CG 4.07Å; T88-Q97 PolarHBondContact OG1-NE2 2.87Å
89L91Very high82.3Confident0 Ų059.3 Ų59.30%029%0.29CS..EExtended strand (participates in β ladder)trans-96.3116.3175.3-60.7-179000108.8L65 L67 I70 M73 F87 L91 E95 V96 L98L65-L89 HydrophobicContact CD2-CD1 3.59Å; L67-L89 HydrophobicContact CD2-CD1 4.08Å; I70-L89 HydrophobicContact CD1-CD1 4.36Å; I70-L89 HydrophobicContact CD1-CD2 3.98Å; M73-L89 HydrophobicContact CB-CD2 4.22Å; M73-L89 HydrophobicContact CE-CD2 3.28Å; M73-L89 HydrophobicContact CG-CD2 4.05Å; F87-L89 HydrophobicContact CD2-CD2 4Å; F87-L89 HydrophobicContact CD2-CG 4.29Å; F87-L89 HydrophobicContact CE2-CD2 4.12Å; F87-L89 HydrophobicContact CE2-CG 4.35Å; L89-L91 HydrophobicContact CB-CD1 3.9Å; L89-E95 WeakPolarHBondContact O-CA 3.28Å; L89-V96 PolarHBondContact N-O 3.37Å; L89-V96 PolarHBondContact O-N 2.74Å; L89-L98 HydrophobicContact CD1-CD1 3.61Å; L89-L98 HydrophobicContact CD1-CG 4.1Å; L89-L98 HydrophobicContact CG-CD1 4.45Å
90S88Confident83.5Confident25 Ų2556.9 Ų56.918%0.17528%0.281CS..EExtended strand (participates in β ladder)trans-93.797176.2-62.70000109.7K71 S72K71-S90 PolarHBondContact N-O 3.23Å; S72-S90 PolarHBondContact O-N 2.82Å; S72-S90 WeakPolarHBondContact OG-CB 3.35Å; S72-S90 PolarHBondContact OG-OG 3.08Å
91L86.3Confident84.3Confident23 Ų2355.7 Ų55.712%0.1228%0.28CS..  trans-90.4165.1173.5-63.693.4000110.6L65 D66 I70 L89 L93 E94 V96L65-L91 HydrophobicContact CD1-CD1 3.74Å; L65-L91 HydrophobicContact CD1-CD2 3.45Å; L65-L91 VanDerWaalsContact CD1-CD2 3.45Å; L65-L91 HydrophobicContact CD1-CG 4.26Å; L65-L91 HydrophobicContact CD2-CD1 4.38Å; L65-L91 HydrophobicContact CG-CD1 4.36Å; L65-L91 HydrophobicContact CG-CD2 4.01Å; D66-L91 VanDerWaalsContact O-CD2 3.24Å; D66-L91 WeakPolarHBondContact O-CD2 3.34Å; I70-L91 HydrophobicContact CG1-CG 4.09Å; L89-L91 HydrophobicContact CB-CD1 3.9Å; L91-L93 PolarHBondContact O-N 3.27Å; L91-E94 CarbonylContact C-O 3.55Å; L91-E94 VanDerWaalsContact CA-O 3.31Å; L91-E94 WeakPolarHBondContact CA-O 3.35Å; L91-E94 HydrophobicContact CB-CG 4.42Å; L91-E94 VanDerWaalsContact CB-O 3.24Å; L91-E94 WeakPolarHBondContact CB-O 3.37Å; L91-E94 PolarHBondContact N-O 3.45Å; L91-V96 HydrophobicContact CD1-CG2 4.18Å
92P82.4Confident85.3Confident63 Ų6352.4 Ų52.441%0.40927%0.271SS..SBendtrans-65.5-26.7-177-22.234.9000113.8L69L69-P92 HydrophobicContact CB-CG 3.95Å; L69-P92 WeakPolarHBondContact O-CD 3.32Å; L69-P92 WeakPolarHBondContact O-CG 3.49Å
93L81.4Confident86.1Confident176 Ų17642.8 Ų42.892%0.92123%0.23SC*.SBendtrans-108.3-22.2-175.1-64.8172.1000113.2L91L91-L93 PolarHBondContact O-N 3.27Å
94E82.6Confident86.6Confident90 Ų9044 Ų4442%0.42123%0.233SC..  trans-156.5159.9-174.260.6179.5-167.700112.4L91 V96L91-E94 CarbonylContact C-O 3.55Å; L91-E94 VanDerWaalsContact CA-O 3.31Å; L91-E94 WeakPolarHBondContact CA-O 3.35Å; L91-E94 HydrophobicContact CB-CG 4.42Å; L91-E94 VanDerWaalsContact CB-O 3.24Å; L91-E94 WeakPolarHBondContact CB-O 3.37Å; L91-E94 PolarHBondContact N-O 3.45Å; E94-V96 HydrophobicContact CG-CG2 4.12Å
95E88.8Confident87.2Confident78 Ų7844.2 Ų44.236%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-118.7126.5175.5-169.2176.3-174.300108.9L33 T88 L89L33-E95 PolarHBondContact N-O 3.4Å; T88-E95 HydrophobicContact CG2-CG 3.39Å; T88-E95 WeakPolarHBondContact CG2-OE1 3.35Å; L89-E95 WeakPolarHBondContact O-CA 3.28Å
96V90.8Very high87.5Confident0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-127.1126.2-170.3-178.20000109.8K30 L65 L89 L91 E94 L98K30-V96 HydrophobicContact CD-CG1 4.03Å; K30-V96 HydrophobicContact CG-CG1 3.72Å; L65-V96 HydrophobicContact CD1-CG2 4.2Å; L65-V96 HydrophobicContact CD2-CG1 4.48Å; L89-V96 PolarHBondContact N-O 3.37Å; L89-V96 PolarHBondContact O-N 2.74Å; L91-V96 HydrophobicContact CD1-CG2 4.18Å; E94-V96 HydrophobicContact CG-CG2 4.12Å; V96-L98 HydrophobicContact CG1-CD2 3.99Å
97Q91.6Very high87.4Confident27 Ų2742.9 Ų42.913%0.12623%0.227CC..EExtended strand (participates in β ladder)trans-94.7129.5172.6-61-168.6-62.800110.2K30 K31 F38 I86 T88K30-Q97 WeakPolarHBondContact CA-O 3.47Å; K31-Q97 HydrophobicContact CB-CB 4.38Å; K31-Q97 PolarHBondContact N-O 3.43Å; K31-Q97 PolarHBondContact O-N 3.05Å; F38-Q97 HydrophobicContact CE1-CB 4.25Å; F38-Q97 HydrophobicContact CZ-CB 4.43Å; I86-Q97 HydrophobicContact CG2-CB 4.49Å; T88-Q97 HydrophobicContact CG2-CG 4.07Å; T88-Q97 PolarHBondContact OG1-NE2 2.87Å
98L91.5Very high87.5Confident0 Ų044.9 Ų44.90%024%0.236CC..EExtended strand (participates in β ladder)trans-112.6130.3172.7-59.2-173.6000109.4L28 L29 K30 L50 I86 F87 L89 V96 M100 I113L28-L98 HydrophobicContact CD1-CD2 4.09Å; L29-L98 CarbonylContact O-C 3.58Å; L29-L98 WeakPolarHBondContact O-CA 3.29Å; K30-L98 HydrophobicContact CB-CD2 3.96Å; K30-L98 HydrophobicContact CG-CD2 4.05Å; L50-L98 HydrophobicContact CD2-CD1 3.8Å; I86-L98 WeakPolarHBondContact CA-O 3.5Å; F87-L98 HydrophobicContact CD2-CB 4.28Å; F87-L98 HydrophobicContact CE2-CB 3.79Å; F87-L98 HydrophobicContact CE2-CD1 3.81Å; F87-L98 HydrophobicContact CE2-CG 4.21Å; F87-L98 HydrophobicContact CZ-CB 3.93Å; F87-L98 HydrophobicContact CZ-CD1 4.17Å; F87-L98 PolarHBondContact N-O 3.01Å; F87-L98 VanDerWaalsContact N-O 3.07Å; F87-L98 PolarHBondContact O-N 3.4Å; L89-L98 HydrophobicContact CD1-CD1 3.61Å; L89-L98 HydrophobicContact CD1-CG 4.1Å; L89-L98 HydrophobicContact CG-CD1 4.45Å; V96-L98 HydrophobicContact CG1-CD2 3.99Å; L98-M100 HydrophobicContact CB-CE 3.62Å; L98-I113 HydrophobicContact CD1-CD1 4.44Å
99K91.2Very high87.6Confident61 Ų6144.4 Ų44.427%0.26523%0.233SC..EExtended strand (participates in β ladder)trans-120.8131.9179.1171.1179.2-179.2-176.20109.7L29 F38 P84 T85 I86L29-K99 HydrophobicContact CB-CB 4.07Å; L29-K99 HydrophobicContact CD1-CG 4.48Å; L29-K99 PolarHBondContact N-O 3.28Å; L29-K99 PolarHBondContact O-N 3.39Å; F38-K99 HydrophobicContact CD1-CB 3.97Å; F38-K99 HydrophobicContact CE1-CB 3.62Å; F38-K99 HydrophobicContact CE1-CD 4.44Å; F38-K99 HydrophobicContact CE2-CD 4.44Å; F38-K99 HydrophobicContact CZ-CB 4.16Å; F38-K99 HydrophobicContact CZ-CD 4.4Å; P84-K99 HydrophobicContact CB-CG 4.44Å; T85-K99 WeakPolarHBondContact O-CA 3.3Å; I86-K99 HydrophobicContact CD1-CD 4.14Å; I86-K99 HydrophobicContact CD1-CG 4.36Å; I86-K99 HydrophobicContact CG1-CB 3.99Å; I86-K99 HydrophobicContact CG1-CD 4.26Å; I86-K99 HydrophobicContact CG1-CG 3.93Å
100M90.5Very high87.5Confident0 Ų045.9 Ų45.90%024%0.239CC..  trans-107.5156.3175.8-53.4-47.114200111.3L28 P84 T85 F87 L98 N102 W109L28-M100 HydrophobicContact CB-CE 3.7Å; L28-M100 HydrophobicContact CB-SD 3.36Å; L28-M100 WeakPolarHBondContact CB-SD 3.49Å; L28-M100 HydrophobicContact CD2-CE 4.35Å; P84-M100 WeakPolarHBondContact CB-O 3.25Å; T85-M100 PolarHBondContact O-N 2.99Å; F87-M100 HydrophobicContact CE1-CE 4.01Å; F87-M100 HydrophobicContact CZ-CE 3.89Å; L98-M100 HydrophobicContact CB-CE 3.62Å; M100-N102 VanDerWaalsContact C-N 3.34Å; M100-W109 HydrophobicContact CE-CB 4.49Å; M100-W109 HydrophobicContact CE-CG 4.28Å; M100-W109 HydrophobicContact CG-CB 4.46Å; M100-W109 HydrophobicContact CG-CG 4.33Å; M100-W109 VanDerWaalsContact SD-CD1 3.53Å; M100-W109 HydrophobicContact SD-CG 4.06Å
101D83.9Confident87.7Confident100 Ų10044.7 Ų44.754%0.53523%0.23SC..SBendtrans-67.5-37.1-178.2-64.7-30.2000111.9
102N84.7Confident87.9Confident95 Ų9543.9 Ų43.951%0.50823%0.226SC..SBendtrans-128.8153.4-175.9-60.359.4000111.4M100 D104 T105 G106M100-N102 VanDerWaalsContact C-N 3.34Å; N102-D104 VanDerWaalsContact C-N 3.31Å; N102-D104 PolarHBondContact O-N 3.43Å; N102-T105 WeakPolarHBondContact CB-OG1 3.4Å; N102-T105 PolarHBondContact N-OG1 2.78Å; N102-T105 PolarHBondContact O-N 3.28Å; N102-T105 PolarHBondContact O-OG1 3.08Å; N102-G106 PolarHBondContact O-N 3.37Å
103A83.8Confident88.4Confident3 Ų340.9 Ų40.93%0.02521%0.206CC..Hα-helixtrans-62-39.2177.100000112.3Y79 T85 G106 E107Y79-A103 HydrophobicContact CD2-CB 4.08Å; Y79-A103 HydrophobicContact CE2-CB 3.63Å; T85-A103 WeakPolarHBondContact OG1-CA 3.46Å; A103-G106 WeakPolarHBondContact O-CA 3.5Å; A103-G106 PolarHBondContact O-N 2.89Å; A103-E107 PolarHBondContact O-N 2.99Å
104D85.2Confident88.8Confident89 Ų8933.9 Ų33.948%0.47617%0.169SC..Hα-helixtrans-68.6-44.1-178.4-58.2-30.5000111.8Y79 N102 G106 E107 E108Y79-D104 PolarHBondContact OH-OD1 3.44Å; N102-D104 VanDerWaalsContact C-N 3.31Å; N102-D104 PolarHBondContact O-N 3.43Å; D104-G106 PolarHBondContact O-N 3.19Å; D104-E107 PolarHBondContact O-N 3.07Å; D104-E108 PolarHBondContact O-N 2.83Å
105T87.9Confident89.2Confident50 Ų5029.6 Ų29.631%0.30715%0.149SC..Hα-helixtrans-63.7-32.8170.843.70000111.8N102 E108 W109N102-T105 WeakPolarHBondContact CB-OG1 3.4Å; N102-T105 PolarHBondContact N-OG1 2.78Å; N102-T105 PolarHBondContact O-N 3.28Å; N102-T105 PolarHBondContact O-OG1 3.08Å; T105-E108 PolarHBondContact O-N 2.87Å; T105-W109 PolarHBondContact O-N 2.83Å
106G88.8Confident89.2Confident0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-60.5-47.6173.700000112.5N102 A103 D104 W109 R110N102-G106 PolarHBondContact O-N 3.37Å; A103-G106 WeakPolarHBondContact O-CA 3.5Å; A103-G106 PolarHBondContact O-N 2.89Å; D104-G106 PolarHBondContact O-N 3.19Å; G106-W109 PolarHBondContact O-N 3.16Å; G106-R110 VanDerWaalsContact O-CB 3.28Å; G106-R110 WeakPolarHBondContact O-CB 3.35Å; G106-R110 PolarHBondContact O-N 3.1Å
107E87.1Confident89.1Confident6 Ų628 Ų283%0.02815%0.145CC..Hα-helixtrans-65.2-37.6175.3-75.7-63.5110.800112Y79 A103 D104 R110 G111 Q126 M127Y79-E107 HydrophobicContact CD2-CG 3.54Å; Y79-E107 HydrophobicContact CE2-CG 3.71Å; A103-E107 PolarHBondContact O-N 2.99Å; D104-E107 PolarHBondContact O-N 3.07Å; E107-R110 PolarHBondContact O-N 2.86Å; E107-G111 PolarHBondContact O-N 2.88Å; E107-Q126 PolarHBondContact OE2-N 3.18Å; E107-M127 HydrophobicContact CB-CG 4.32Å
108E90.4Very high88.9Confident42 Ų4231 Ų3120%0.19616%0.162CC..Hα-helixtrans-57.8-56.1172-72-173178.300111H24 D104 T105 R110 G111 F112 M127 Q131H24-E108 IonicContact CE1-OE2 3.11Å; H24-E108 PolarHBondContact CE1-OE2 3.03Å; H24-E108 IonicContact NE2-OE2 3.75Å; D104-E108 PolarHBondContact O-N 2.83Å; T105-E108 PolarHBondContact O-N 2.87Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.49Å; E108-G111 PolarHBondContact O-N 3.07Å; E108-G111 VanDerWaalsContact O-N 3.16Å; E108-F112 VanDerWaalsContact O-CD2 3.22Å; E108-F112 WeakPolarHBondContact O-CD2 3.35Å; E108-F112 PolarHBondContact O-N 3.18Å; E108-M127 HydrophobicContact CB-CE 4.22Å; E108-M127 HydrophobicContact CG-CE 3.82Å; E108-Q131 PolarHBondContact OE1-NE2 3.43Å
109W91.4Very high88.7Confident4 Ų433.9 Ų33.92%0.01517%0.174CC..Hα-helixtrans-57.4-44.4178.8-83.9108.3000112.4H24 L28 L45 L50 F87 M100 T105 G106 F112 I113H24-W109 AromaticContact CD2-CD2 3.64Å; H24-W109 AromaticContact CD2-CE2 3.56Å; H24-W109 AromaticContact CD2-CE3 3.83Å; H24-W109 AromaticContact CD2-CH2 3.9Å; H24-W109 AromaticContact CD2-CZ2 3.72Å; H24-W109 AromaticContact CD2-CZ3 3.95Å; H24-W109 AromaticContact NE2-CD2 3.99Å; H24-W109 AromaticContact NE2-CE2 3.7Å; H24-W109 AromaticContact NE2-NE1 3.76Å; L28-W109 HydrophobicContact CD2-CH2 3.96Å; L28-W109 HydrophobicContact CD2-CZ2 3.9Å; L28-W109 HydrophobicContact CD2-CZ3 4.32Å; L45-W109 HydrophobicContact CB-CZ3 4.13Å; L50-W109 HydrophobicContact CD1-CH2 3.99Å; L50-W109 HydrophobicContact CD1-CZ3 3.65Å; F87-W109 HydrophobicContact CE1-CB 4.37Å; F87-W109 HydrophobicContact CZ-CB 4.23Å; M100-W109 HydrophobicContact CE-CB 4.49Å; M100-W109 HydrophobicContact CE-CG 4.28Å; M100-W109 HydrophobicContact CG-CB 4.46Å; M100-W109 HydrophobicContact CG-CG 4.33Å; M100-W109 VanDerWaalsContact SD-CD1 3.53Å; M100-W109 HydrophobicContact SD-CG 4.06Å; T105-W109 PolarHBondContact O-N 2.83Å; G106-W109 PolarHBondContact O-N 3.16Å; W109-F112 PolarHBondContact O-N 2.84Å; W109-I113 HydrophobicContact CE3-CD1 4.3Å; W109-I113 WeakPolarHBondContact O-CB 3.47Å; W109-I113 VanDerWaalsContact O-CG1 3.27Å; W109-I113 WeakPolarHBondContact O-CG1 2.81Å; W109-I113 PolarHBondContact O-N 3.25Å
110R90.1Very high88.6Confident31 Ų3137.7 Ų37.712%0.11719%0.193CC..Hα-helixtrans-57.9-49.9175.8-180-179.2-178.9-92.1-3.3110.7M73 G106 E107 E108 F112 I113 M114 D124 I125M73-R110 HydrophobicContact SD-CG 4Å; G106-R110 VanDerWaalsContact O-CB 3.28Å; G106-R110 WeakPolarHBondContact O-CB 3.35Å; G106-R110 PolarHBondContact O-N 3.1Å; E107-R110 PolarHBondContact O-N 2.86Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.49Å; R110-F112 PolarHBondContact O-N 2.79Å; R110-I113 PolarHBondContact O-N 3.39Å; R110-M114 WeakPolarHBondContact O-CB 3.3Å; R110-M114 PolarHBondContact O-N 2.86Å; R110-D124 IonicContact CZ-OD2 3.51Å; R110-D124 IonicContact NH1-OD1 3.4Å; R110-D124 IonicContact NH1-OD2 3.38Å; R110-D124 PolarHBondContact NH1-OD2 3.14Å; R110-D124 IonicContact NH2-OD1 3.26Å; R110-D124 IonicContact NH2-OD2 2.74Å; R110-D124 PolarHBondContact NH2-OD2 3.31Å; R110-I125 HydrophobicContact CG-CD1 4.4Å
111G90.8Very high88.5Confident0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-60.3-46.7-179.500000112.1E107 E108 T115E107-G111 PolarHBondContact O-N 2.88Å; E108-G111 PolarHBondContact O-N 3.07Å; E108-G111 VanDerWaalsContact O-N 3.16Å; G111-T115 VanDerWaalsContact O-CB 3.22Å; G111-T115 WeakPolarHBondContact O-CB 3.45Å; G111-T115 PolarHBondContact O-N 3.38Å; G111-T115 PolarHBondContact O-OG1 2.9Å
112F92Very high88.5Confident6 Ų636 Ų363%0.02619%0.185CC..Hα-helixtrans-63.4-48.3179.2-87.3-76.5000112.2H24 L45 E108 W109 R110 L116 K134 L135 M138H24-F112 HydrophobicContact CB-CB 4.48Å; H24-F112 HydrophobicContact CB-CD1 3.95Å; H24-F112 HydrophobicContact CB-CD2 3.86Å; H24-F112 HydrophobicContact CB-CE1 4.13Å; H24-F112 HydrophobicContact CB-CE2 4.06Å; H24-F112 HydrophobicContact CB-CG 3.84Å; H24-F112 HydrophobicContact CB-CZ 4.2Å; H24-F112 AromaticContact CG-CD2 3.67Å; H24-F112 AromaticContact CG-CE2 3.81Å; H24-F112 AromaticContact ND1-CD2 3.8Å; H24-F112 AromaticContact ND1-CE2 3.49Å; H24-F112 WeakPolarHBondContact ND1-CE2 3.34Å; L45-F112 HydrophobicContact CD2-CB 3.57Å; L45-F112 HydrophobicContact CD2-CD1 4.44Å; L45-F112 HydrophobicContact CD2-CG 4.32Å; E108-F112 VanDerWaalsContact O-CD2 3.22Å; E108-F112 WeakPolarHBondContact O-CD2 3.35Å; E108-F112 PolarHBondContact O-N 3.18Å; W109-F112 PolarHBondContact O-N 2.84Å; R110-F112 PolarHBondContact O-N 2.79Å; F112-L116 WeakPolarHBondContact O-CG 3.14Å; F112-L116 PolarHBondContact O-N 2.94Å; F112-L116 VanDerWaalsContact O-N 3.13Å; F112-K134 HydrophobicContact CZ-CB 4.13Å; F112-L135 VanDerWaalsContact CA-CD2 3.47Å; F112-L135 HydrophobicContact CB-CD2 4.12Å; F112-L135 HydrophobicContact CD1-CD2 3.62Å; F112-L135 HydrophobicContact CD2-CD2 3.95Å; F112-L135 HydrophobicContact CE1-CD2 3.91Å; F112-L135 HydrophobicContact CE2-CD2 4.21Å; F112-L135 HydrophobicContact CG-CD2 3.62Å; F112-L135 HydrophobicContact CZ-CD2 4.18Å; F112-M138 HydrophobicContact CD1-CE 3.59Å; F112-M138 HydrophobicContact CD1-CG 4.25Å; F112-M138 HydrophobicContact CE1-CB 4.13Å; F112-M138 HydrophobicContact CE1-CE 4.18Å; F112-M138 HydrophobicContact CE1-CG 4.27Å; F112-M138 HydrophobicContact CG-CE 4.47Å
113I91.8Very high88.3Confident1 Ų137.7 Ų37.71%0.00520%0.204CC..Hα-helixtrans-64.3-48.8-179.9-67.2167.2000110.3L45 L67 I70 M73 F87 L98 W109 R110 T115 L116 V117L45-I113 HydrophobicContact CD2-CG1 4.47Å; L67-I113 HydrophobicContact CD1-CG1 4.07Å; L67-I113 HydrophobicContact CD1-CG2 4.12Å; L67-I113 HydrophobicContact CD2-CG2 4.44Å; I70-I113 HydrophobicContact CD1-CG2 4.4Å; M73-I113 HydrophobicContact CE-CB 3.85Å; M73-I113 HydrophobicContact CE-CD1 4.24Å; M73-I113 HydrophobicContact CE-CG2 3.37Å; F87-I113 HydrophobicContact CE2-CD1 3.93Å; F87-I113 HydrophobicContact CZ-CD1 3.96Å; L98-I113 HydrophobicContact CD1-CD1 4.44Å; W109-I113 HydrophobicContact CE3-CD1 4.3Å; W109-I113 WeakPolarHBondContact O-CB 3.47Å; W109-I113 VanDerWaalsContact O-CG1 3.27Å; W109-I113 WeakPolarHBondContact O-CG1 2.81Å; W109-I113 PolarHBondContact O-N 3.25Å; R110-I113 PolarHBondContact O-N 3.39Å; I113-T115 VanDerWaalsContact C-N 3.32Å; I113-T115 PolarHBondContact O-N 2.83Å; I113-L116 PolarHBondContact O-N 2.68Å; I113-L116 VanDerWaalsContact O-N 3.17Å; I113-V117 HydrophobicContact CG2-CG2 4.3Å; I113-V117 VanDerWaalsContact O-CG2 3.3Å; I113-V117 WeakPolarHBondContact O-CG2 3.37Å; I113-V117 PolarHBondContact O-N 3.03Å
114M89.8Confident88.2Confident29 Ų2942.1 Ų42.114%0.14323%0.227CC..Hα-helixtrans-62.7-40.4-177.6-161.373.774.600111.8M73 R110 L116 V117 N118 P122M73-M114 HydrophobicContact CB-CE 4.06Å; M73-M114 HydrophobicContact CG-CE 4.18Å; M73-M114 HydrophobicContact SD-CE 3.48Å; M73-M114 WeakPolarHBondContact SD-CE 3.27Å; R110-M114 WeakPolarHBondContact O-CB 3.3Å; R110-M114 PolarHBondContact O-N 2.86Å; M114-L116 VanDerWaalsContact C-N 3.32Å; M114-L116 PolarHBondContact O-N 3.1Å; M114-V117 PolarHBondContact O-N 3.29Å; M114-N118 WeakPolarHBondContact CG-ND2 3.35Å; M114-N118 WeakPolarHBondContact O-CB 3.39Å; M114-N118 PolarHBondContact O-N 2.94Å; M114-P122 HydrophobicContact CB-CG 3.68Å; M114-P122 HydrophobicContact CG-CB 4.4Å; M114-P122 HydrophobicContact CG-CG 3.37Å
115T91.1Very high88.1Confident0 Ų038.2 Ų38.20%021%0.206CC..Hα-helixtrans-64.7-36.9177.4-55.50000111.8G111 I113 K119 E120 I121 M138 L139G111-T115 VanDerWaalsContact O-CB 3.22Å; G111-T115 WeakPolarHBondContact O-CB 3.45Å; G111-T115 PolarHBondContact O-N 3.38Å; G111-T115 PolarHBondContact O-OG1 2.9Å; I113-T115 VanDerWaalsContact C-N 3.32Å; I113-T115 PolarHBondContact O-N 2.83Å; T115-K119 WeakPolarHBondContact O-CA 3.12Å; T115-K119 PolarHBondContact O-N 3.18Å; T115-E120 WeakPolarHBondContact CA-O 3.35Å; T115-I121 HydrophobicContact CG2-CG1 3.84Å; T115-M138 HydrophobicContact CG2-CE 3.75Å; T115-L139 HydrophobicContact CG2-CB 4.04Å; T115-L139 HydrophobicContact CG2-CD1 4.12Å; T115-L139 HydrophobicContact CG2-CD2 4.18Å; T115-L139 HydrophobicContact CG2-CG 4.34Å
116L89.1Confident87.9Confident1 Ų141.6 Ų41.61%0.00522%0.218CC..Hα-helixtrans-70.5-36.9176.9-74.9169.1000113.4Y23 L45 G47 F112 I113 M114 K119 M138 E142Y23-L116 HydrophobicContact CD2-CD1 4.13Å; Y23-L116 HydrophobicContact CD2-CD2 3.92Å; Y23-L116 HydrophobicContact CE2-CD2 3.82Å; L45-L116 HydrophobicContact CD1-CD1 3.69Å; L45-L116 HydrophobicContact CD2-CD1 3.46Å; L45-L116 VanDerWaalsContact CD2-CD1 3.46Å; L45-L116 HydrophobicContact CG-CD1 3.51Å; G47-L116 WeakPolarHBondContact O-CD1 3.33Å; G47-L116 WeakPolarHBondContact O-CD2 3.49Å; F112-L116 WeakPolarHBondContact O-CG 3.14Å; F112-L116 PolarHBondContact O-N 2.94Å; F112-L116 VanDerWaalsContact O-N 3.13Å; I113-L116 PolarHBondContact O-N 2.68Å; I113-L116 VanDerWaalsContact O-N 3.17Å; M114-L116 VanDerWaalsContact C-N 3.32Å; M114-L116 PolarHBondContact O-N 3.1Å; L116-K119 WeakPolarHBondContact O-CD 3.45Å; L116-K119 VanDerWaalsContact O-CE 3.27Å; L116-K119 WeakPolarHBondContact O-CE 3.42Å; L116-K119 PolarHBondContact O-NZ 2.79Å; L116-M138 HydrophobicContact CD2-CE 4.38Å; L116-M138 HydrophobicContact CD2-CG 4.45Å; L116-M138 HydrophobicContact CD2-SD 3.4Å; L116-M138 WeakPolarHBondContact CD2-SD 3.5Å; L116-M138 HydrophobicContact CG-CE 4.09Å; L116-M138 HydrophobicContact CG-SD 3.76Å; L116-E142 HydrophobicContact CD2-CB 4.17Å; L116-E142 HydrophobicContact CD2-CG 3.83Å
117V87.6Confident87.7Confident43 Ų4342.4 Ų42.426%0.26122%0.222SC..Hα-helixtrans-74.3-50.4-179.3175.20000110.4L67 I70 I113 M114L67-V117 HydrophobicContact CB-CG2 4.2Å; L67-V117 WeakPolarHBondContact O-CG2 3.37Å; I70-V117 HydrophobicContact CD1-CG2 4.18Å; I113-V117 HydrophobicContact CG2-CG2 4.3Å; I113-V117 VanDerWaalsContact O-CG2 3.3Å; I113-V117 WeakPolarHBondContact O-CG2 3.37Å; I113-V117 PolarHBondContact O-N 3.03Å; M114-V117 PolarHBondContact O-N 3.29Å
118N87.6Confident87.8Confident91 Ų9147.8 Ų47.849%0.48725%0.25SS..Hα-helixtrans-85.4-11.3-175.6-62.9-16.6000113.3M114 E120M114-N118 WeakPolarHBondContact CG-ND2 3.35Å; M114-N118 WeakPolarHBondContact O-CB 3.39Å; M114-N118 PolarHBondContact O-N 2.94Å; N118-E120 PolarHBondContact O-N 2.92Å; N118-E120 VanDerWaalsContact O-N 3.14Å
119K87.8Confident87.6Confident60 Ų6050.5 Ų50.526%0.26127%0.272SS..SBendtrans56.820.9-172-54.5-58.2-176.1-164.30113.9T115 L116 L139 E142T115-K119 WeakPolarHBondContact O-CA 3.12Å; T115-K119 PolarHBondContact O-N 3.18Å; L116-K119 WeakPolarHBondContact O-CD 3.45Å; L116-K119 VanDerWaalsContact O-CE 3.27Å; L116-K119 WeakPolarHBondContact O-CE 3.42Å; L116-K119 PolarHBondContact O-NZ 2.79Å; K119-L139 WeakPolarHBondContact O-CD1 3.43Å; K119-E142 VanDerWaalsContact NZ-CG 3.3Å; K119-E142 IonicContact NZ-OE1 3.75Å; K119-E142 PolarHBondContact NZ-OE1 2.85Å
120E88.9Confident87.5Confident141 Ų14152.5 Ų52.566%0.65929%0.293SS*.SBendtrans-143.6146.8-179.5-68.1-175.1175.900109.3T115 N118 P122T115-E120 WeakPolarHBondContact CA-O 3.35Å; N118-E120 PolarHBondContact O-N 2.92Å; N118-E120 VanDerWaalsContact O-N 3.14Å; E120-P122 WeakPolarHBondContact O-CD 3.48Å
121I88.6Confident87.5Confident48 Ų4852.6 Ų52.625%0.24630%0.295CS..  trans-79.5120.9178.1-60.1175.8000108.3T115 S123 I125 L135 E136 L139T115-I121 HydrophobicContact CG2-CG1 3.84Å; I121-S123 PolarHBondContact O-N 2.81Å; I121-I125 HydrophobicContact CG2-CG2 4.38Å; I121-L135 HydrophobicContact CD1-CB 4.18Å; I121-L135 HydrophobicContact CG1-CB 4.46Å; I121-E136 HydrophobicContact CD1-CB 4.24Å; I121-E136 HydrophobicContact CD1-CG 3.31Å; I121-L139 HydrophobicContact CG1-CD2 4.15Å
122P84.9Confident87.4Confident17 Ų1756.1 Ų56.111%0.1131%0.311CS..  trans-63.1130.7-179.1-19.831.1000112.1M114 E120 D124 I125M114-P122 HydrophobicContact CB-CG 3.68Å; M114-P122 HydrophobicContact CG-CB 4.4Å; M114-P122 HydrophobicContact CG-CG 3.37Å; E120-P122 WeakPolarHBondContact O-CD 3.48Å; P122-D124 WeakPolarHBondContact CB-OD1 3.18Å; P122-D124 PolarHBondContact O-N 3.23Å; P122-I125 WeakPolarHBondContact O-CB 3.46Å; P122-I125 WeakPolarHBondContact O-CG2 3.47Å; P122-I125 PolarHBondContact O-N 3.28Å
123S80.5Confident87.3Confident130 Ų13059.9 Ų59.991%0.90933%0.33SS*.THydrogen-bonded Turntrans-66.6-23.2179.4-57.20000113.5I121 I125I121-S123 PolarHBondContact O-N 2.81Å; S123-I125 VanDerWaalsContact C-N 3.32Å
124D81.6Confident87.3Confident95 Ų9565.5 Ų65.551%0.50835%0.354SS..THydrogen-bonded Turntrans-85.31.1-179.168.3-36.1000113.6R110 P122 Q126R110-D124 IonicContact CZ-OD2 3.51Å; R110-D124 IonicContact NH1-OD1 3.4Å; R110-D124 IonicContact NH1-OD2 3.38Å; R110-D124 PolarHBondContact NH1-OD2 3.14Å; R110-D124 IonicContact NH2-OD1 3.26Å; R110-D124 IonicContact NH2-OD2 2.74Å; R110-D124 PolarHBondContact NH2-OD2 3.31Å; P122-D124 WeakPolarHBondContact CB-OD1 3.18Å; P122-D124 PolarHBondContact O-N 3.23Å; D124-Q126 PolarHBondContact O-N 3.27Å
125I83.6Confident87.4Confident7 Ų764.1 Ų64.14%0.03635%0.348CS..  trans-72.3125.2-176.7-157.874000112.4R110 I121 P122 S123 M127R110-I125 HydrophobicContact CG-CD1 4.4Å; I121-I125 HydrophobicContact CG2-CG2 4.38Å; P122-I125 WeakPolarHBondContact O-CB 3.46Å; P122-I125 WeakPolarHBondContact O-CG2 3.47Å; P122-I125 PolarHBondContact O-N 3.28Å; S123-I125 VanDerWaalsContact C-N 3.32Å; I125-M127 HydrophobicContact CD1-SD 4.11Å; I125-M127 HydrophobicContact CG1-CB 4.48Å; I125-M127 HydrophobicContact CG1-CG 3.82Å; I125-M127 HydrophobicContact CG1-SD 3.48Å; I125-M127 WeakPolarHBondContact CG1-SD 3.09Å; I125-M127 PolarHBondContact O-N 3.1Å
126Q82.3Confident87.5Confident121 Ų12169 Ų6957%0.56537%0.371SS*.  trans-95.166.7-177.2-63.5-168.8400111.9Y79 E107 D124Y79-Q126 VanDerWaalsContact CD1-OE1 3.28Å; E107-Q126 PolarHBondContact OE2-N 3.18Å; D124-Q126 PolarHBondContact O-N 3.27Å
127M84.4Confident87.6Confident18 Ų1874.7 Ų74.79%0.08940%0.397CS..  trans-120.3152.3-176.4-70.4175.568.200112.9E107 E108 I125 Q131 K132 L135E107-M127 HydrophobicContact CB-CG 4.32Å; E108-M127 HydrophobicContact CB-CE 4.22Å; E108-M127 HydrophobicContact CG-CE 3.82Å; I125-M127 HydrophobicContact CD1-SD 4.11Å; I125-M127 HydrophobicContact CG1-CB 4.48Å; I125-M127 HydrophobicContact CG1-CG 3.82Å; I125-M127 HydrophobicContact CG1-SD 3.48Å; I125-M127 WeakPolarHBondContact CG1-SD 3.09Å; I125-M127 PolarHBondContact O-N 3.1Å; M127-Q131 HydrophobicContact CB-CB 4.25Å; M127-Q131 HydrophobicContact CE-CB 3.33Å; M127-Q131 HydrophobicContact CE-CG 4.22Å; M127-K132 HydrophobicContact CB-CG 4.24Å; M127-K132 WeakPolarHBondContact O-CE 3.31Å; M127-L135 HydrophobicContact CE-CD1 3.97Å; M127-L135 HydrophobicContact CE-CG 4.48Å; M127-L135 HydrophobicContact SD-CD1 3.8Å
128L88.7Confident87.7Confident118 Ų11873 Ų7362%0.61839%0.386SS*.  trans-66.5152.7174.6-62.8177000110.8G130 Q131 K132L128-G130 VanDerWaalsContact C-N 3.28Å; L128-G130 PolarHBondContact O-N 2.9Å; L128-Q131 HydrophobicContact CB-CG 4.34Å; L128-Q131 PolarHBondContact O-N 2.69Å; L128-K132 PolarHBondContact O-N 3.25Å
129P87.4Confident87.9Confident100 Ų10069.8 Ų69.865%0.64937%0.369SS*.Hα-helixtrans-53.2-42.3-179.2-27.634.7000113.7Q131 K132 I133P129-Q131 VanDerWaalsContact C-N 3.27Å; P129-Q131 PolarHBondContact O-N 2.88Å; P129-K132 PolarHBondContact O-N 3.01Å; P129-K132 VanDerWaalsContact O-N 3.16Å; P129-I133 WeakPolarHBondContact O-CG1 3.18Å; P129-I133 PolarHBondContact O-N 3.3Å
130G89.2Confident88Confident45 Ų4570.5 Ų70.546%0.46438%0.378SS..Hα-helixtrans-64.8-28.3178.300000114L128L128-G130 VanDerWaalsContact C-N 3.28Å; L128-G130 PolarHBondContact O-N 2.9Å
131Q89.1Confident88Confident34 Ų3467.3 Ų67.316%0.15937%0.366CS..Hα-helixtrans-79.7-33.7174.8-56.6163-43.700111.1E108 M127 L128 P129 K134 L135E108-Q131 PolarHBondContact OE1-NE2 3.43Å; M127-Q131 HydrophobicContact CB-CB 4.25Å; M127-Q131 HydrophobicContact CE-CB 3.33Å; M127-Q131 HydrophobicContact CE-CG 4.22Å; L128-Q131 HydrophobicContact CB-CG 4.34Å; L128-Q131 PolarHBondContact O-N 2.69Å; P129-Q131 VanDerWaalsContact C-N 3.27Å; P129-Q131 PolarHBondContact O-N 2.88Å; Q131-K134 WeakPolarHBondContact O-CB 3.25Å; Q131-K134 PolarHBondContact O-N 3.04Å; Q131-L135 PolarHBondContact O-N 2.79Å
132K89.4Confident87.9Confident74 Ų7465 Ų6532%0.32235%0.354SS..Hα-helixtrans-63-40.6173-68-171.5176.6-167.50112.2M127 L128 P129 K134 L135 E136M127-K132 HydrophobicContact CB-CG 4.24Å; M127-K132 WeakPolarHBondContact O-CE 3.31Å; L128-K132 PolarHBondContact O-N 3.25Å; P129-K132 PolarHBondContact O-N 3.01Å; P129-K132 VanDerWaalsContact O-N 3.16Å; K132-K134 VanDerWaalsContact C-N 3.26Å; K132-K134 PolarHBondContact O-N 2.83Å; K132-L135 WeakPolarHBondContact O-CA 3.44Å; K132-L135 WeakPolarHBondContact O-CB 3.36Å; K132-L135 PolarHBondContact O-N 3Å; K132-E136 WeakPolarHBondContact O-CG 3.31Å; K132-E136 PolarHBondContact O-N 2.9Å
133I91.1Very high87.9Confident85 Ų8567.9 Ų67.944%0.43637%0.368SS..Hα-helixtrans-57.4-41.5173.8-67.6168.1000110.9P129 L135 E136 E137P129-I133 WeakPolarHBondContact O-CG1 3.18Å; P129-I133 PolarHBondContact O-N 3.3Å; I133-L135 VanDerWaalsContact C-N 3.31Å; I133-L135 PolarHBondContact O-N 2.84Å; I133-E136 WeakPolarHBondContact O-CB 3.29Å; I133-E136 PolarHBondContact O-N 3.43Å; I133-E137 HydrophobicContact CG2-CG 4.37Å; I133-E137 WeakPolarHBondContact O-CG 3.33Å; I133-E137 PolarHBondContact O-N 3.15Å
134K91.3Very high88.2Confident119 Ų11969.5 Ų69.552%0.51736%0.359SS..Hα-helixtrans-63.8-35.5175.9-65.5178.3-178.5179.20112.7F112 Q131 K132 M138F112-K134 HydrophobicContact CZ-CB 4.13Å; Q131-K134 WeakPolarHBondContact O-CB 3.25Å; Q131-K134 PolarHBondContact O-N 3.04Å; K132-K134 VanDerWaalsContact C-N 3.26Å; K132-K134 PolarHBondContact O-N 2.83Å; K134-M138 VanDerWaalsContact O-CB 3.27Å; K134-M138 WeakPolarHBondContact O-CB 3.33Å; K134-M138 PolarHBondContact O-N 2.85Å
135L92.1Very high88.1Confident0 Ų069.7 Ų69.70%035%0.352CS..Hα-helixtrans-66-42.2173.7-72170.2000111.3F112 I121 M127 Q131 K132 I133 M138 L139F112-L135 VanDerWaalsContact CA-CD2 3.47Å; F112-L135 HydrophobicContact CB-CD2 4.12Å; F112-L135 HydrophobicContact CD1-CD2 3.62Å; F112-L135 HydrophobicContact CD2-CD2 3.95Å; F112-L135 HydrophobicContact CE1-CD2 3.91Å; F112-L135 HydrophobicContact CE2-CD2 4.21Å; F112-L135 HydrophobicContact CG-CD2 3.62Å; F112-L135 HydrophobicContact CZ-CD2 4.18Å; I121-L135 HydrophobicContact CD1-CB 4.18Å; I121-L135 HydrophobicContact CG1-CB 4.46Å; M127-L135 HydrophobicContact CE-CD1 3.97Å; M127-L135 HydrophobicContact CE-CG 4.48Å; M127-L135 HydrophobicContact SD-CD1 3.8Å; Q131-L135 PolarHBondContact O-N 2.79Å; K132-L135 WeakPolarHBondContact O-CA 3.44Å; K132-L135 WeakPolarHBondContact O-CB 3.36Å; K132-L135 PolarHBondContact O-N 3Å; I133-L135 VanDerWaalsContact C-N 3.31Å; I133-L135 PolarHBondContact O-N 2.84Å; L135-M138 HydrophobicContact CD2-CE 3.76Å; L135-M138 PolarHBondContact O-N 3.34Å; L135-L139 WeakPolarHBondContact O-CB 3.39Å; L135-L139 PolarHBondContact O-N 3.08Å
136E91.5Very high87.3Confident103 Ų10372.9 Ų72.948%0.48137%0.37SS..Hα-helixtrans-62.4-48.3175.3-68.5170.5-175.500111.2I121 K132 I133 M138 L139 T140I121-E136 HydrophobicContact CD1-CB 4.24Å; I121-E136 HydrophobicContact CD1-CG 3.31Å; K132-E136 WeakPolarHBondContact O-CG 3.31Å; K132-E136 PolarHBondContact O-N 2.9Å; I133-E136 WeakPolarHBondContact O-CB 3.29Å; I133-E136 PolarHBondContact O-N 3.43Å; E136-M138 VanDerWaalsContact C-N 3.33Å; E136-M138 PolarHBondContact O-N 3.13Å; E136-L139 PolarHBondContact O-N 3.05Å; E136-T140 WeakPolarHBondContact O-CG2 3.35Å; E136-T140 PolarHBondContact O-N 2.7Å; E136-T140 PolarHBondContact O-OG1 3.47Å
137E91.7Very high86Confident119 Ų11971.2 Ų71.256%0.55637%0.369SS*.Hα-helixtrans-56.3-47.8175.7-74.2177168.300111.2I133 T140 L141I133-E137 HydrophobicContact CG2-CG 4.37Å; I133-E137 WeakPolarHBondContact O-CG 3.33Å; I133-E137 PolarHBondContact O-N 3.15Å; E137-T140 PolarHBondContact O-N 2.76Å; E137-T140 PolarHBondContact O-OG1 2.89Å; E137-L141 WeakPolarHBondContact O-CB 3.42Å; E137-L141 PolarHBondContact O-N 3.25Å
138M90.9Very high84.4Confident8 Ų876.7 Ų76.74%0.03939%0.394CS..Hα-helixtrans-60.1-46175.7171.7-83.8-74.100111.8Y23 F112 T115 L116 K134 L135 E136 T140 L141 E142Y23-M138 HydrophobicContact CD1-CB 4.33Å; Y23-M138 HydrophobicContact CD1-CG 3.65Å; Y23-M138 HydrophobicContact CD2-CG 3.93Å; Y23-M138 HydrophobicContact CE1-CG 4.25Å; Y23-M138 HydrophobicContact CE2-CG 4.47Å; Y23-M138 HydrophobicContact CG-CB 4.5Å; Y23-M138 HydrophobicContact CG-CG 3.47Å; Y23-M138 VanDerWaalsContact CG-CG 3.47Å; F112-M138 HydrophobicContact CD1-CE 3.59Å; F112-M138 HydrophobicContact CD1-CG 4.25Å; F112-M138 HydrophobicContact CE1-CB 4.13Å; F112-M138 HydrophobicContact CE1-CE 4.18Å; F112-M138 HydrophobicContact CE1-CG 4.27Å; F112-M138 HydrophobicContact CG-CE 4.47Å; T115-M138 HydrophobicContact CG2-CE 3.75Å; L116-M138 HydrophobicContact CD2-CE 4.38Å; L116-M138 HydrophobicContact CD2-CG 4.45Å; L116-M138 HydrophobicContact CD2-SD 3.4Å; L116-M138 WeakPolarHBondContact CD2-SD 3.5Å; L116-M138 HydrophobicContact CG-CE 4.09Å; L116-M138 HydrophobicContact CG-SD 3.76Å; K134-M138 VanDerWaalsContact O-CB 3.27Å; K134-M138 WeakPolarHBondContact O-CB 3.33Å; K134-M138 PolarHBondContact O-N 2.85Å; L135-M138 HydrophobicContact CD2-CE 3.76Å; L135-M138 PolarHBondContact O-N 3.34Å; E136-M138 VanDerWaalsContact C-N 3.33Å; E136-M138 PolarHBondContact O-N 3.13Å; M138-T140 VanDerWaalsContact C-N 3.34Å; M138-T140 PolarHBondContact O-N 2.9Å; M138-L141 PolarHBondContact O-N 2.88Å; M138-L141 VanDerWaalsContact O-N 3.15Å; M138-E142 WeakPolarHBondContact O-CB 3.45Å; M138-E142 PolarHBondContact O-N 3.25Å
139L91.2Very high82.5Confident24 Ų2478.4 Ų78.413%0.12640%0.404CS..Hα-helixtrans-62.7-41.7-179.9-179.759.4000111.1T115 K119 I121 L135 E136 L141 E142 N143T115-L139 HydrophobicContact CG2-CB 4.04Å; T115-L139 HydrophobicContact CG2-CD1 4.12Å; T115-L139 HydrophobicContact CG2-CD2 4.18Å; T115-L139 HydrophobicContact CG2-CG 4.34Å; K119-L139 WeakPolarHBondContact O-CD1 3.43Å; I121-L139 HydrophobicContact CG1-CD2 4.15Å; L135-L139 WeakPolarHBondContact O-CB 3.39Å; L135-L139 PolarHBondContact O-N 3.08Å; E136-L139 PolarHBondContact O-N 3.05Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 3.34Å; L139-E142 PolarHBondContact O-N 2.84Å; L139-N143 VanDerWaalsContact O-CB 3.31Å; L139-N143 WeakPolarHBondContact O-CB 3.43Å; L139-N143 PolarHBondContact O-N 3.49Å; L139-N143 PolarHBondContact O-ND2 3.25Å
140T89.6Confident80.6Confident74 Ų7480.9 Ų80.945%0.45441%0.407SS..Hα-helixtrans-64.9-37.1174.965.60000112.4E136 E137 M138 K144E136-T140 WeakPolarHBondContact O-CG2 3.35Å; E136-T140 PolarHBondContact O-N 2.7Å; E136-T140 PolarHBondContact O-OG1 3.47Å; E137-T140 PolarHBondContact O-N 2.76Å; E137-T140 PolarHBondContact O-OG1 2.89Å; M138-T140 VanDerWaalsContact C-N 3.34Å; M138-T140 PolarHBondContact O-N 2.9Å; T140-K144 VanDerWaalsContact O-CG 3.27Å; T140-K144 WeakPolarHBondContact O-CG 3.38Å; T140-K144 PolarHBondContact O-N 3.18Å; T140-K144 VanDerWaalsContact O-N 3.09Å
141L88.4Confident78.6Confident75 Ų7586.6 Ų86.639%0.39341%0.414SS..Hα-helixtrans-69.3-42.3177.8-177.156.8000111.2P21 Y23 E137 M138 L139 K144 R145P21-L141 HydrophobicContact CB-CD2 4.02Å; P21-L141 HydrophobicContact CG-CD2 4.12Å; P21-L141 HydrophobicContact CG-CG 4.36Å; Y23-L141 HydrophobicContact CD1-CD2 4.29Å; Y23-L141 HydrophobicContact CE1-CB 4.31Å; Y23-L141 HydrophobicContact CE1-CD2 3.67Å; Y23-L141 HydrophobicContact CE1-CG 3.93Å; E137-L141 WeakPolarHBondContact O-CB 3.42Å; E137-L141 PolarHBondContact O-N 3.25Å; M138-L141 PolarHBondContact O-N 2.88Å; M138-L141 VanDerWaalsContact O-N 3.15Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 3.34Å; L141-K144 PolarHBondContact O-N 3.32Å; L141-R145 WeakPolarHBondContact O-CB 3.37Å; L141-R145 PolarHBondContact O-N 3.45Å
142E87.3Confident76.7Confident0 Ų090.3 Ų90.30%044%0.441CS..Hα-helixtrans-66.9-40.6175.9178.362.3-173.100111.8Y23 T48 L116 K119 M138 L139 K144 R145 N146Y23-E142 HydrophobicContact CE2-CB 4.46Å; Y23-E142 PolarHBondContact OH-OE2 3.38Å; T48-E142 WeakPolarHBondContact CG2-OE1 3.25Å; L116-E142 HydrophobicContact CD2-CB 4.17Å; L116-E142 HydrophobicContact CD2-CG 3.83Å; K119-E142 VanDerWaalsContact NZ-CG 3.3Å; K119-E142 IonicContact NZ-OE1 3.75Å; K119-E142 PolarHBondContact NZ-OE1 2.85Å; M138-E142 WeakPolarHBondContact O-CB 3.45Å; M138-E142 PolarHBondContact O-N 3.25Å; L139-E142 PolarHBondContact O-N 2.84Å; E142-K144 VanDerWaalsContact C-N 3.3Å; E142-K144 PolarHBondContact O-N 3.43Å; E142-R145 VanDerWaalsContact CD-NH2 3.31Å; E142-R145 PolarHBondContact O-N 3.07Å; E142-R145 IonicContact OE1-CZ 3.1Å; E142-R145 IonicContact OE1-NE 3.89Å; E142-R145 IonicContact OE1-NH2 3.24Å; E142-R145 PolarHBondContact OE1-NH2 3.15Å; E142-R145 IonicContact OE2-CZ 3.76Å; E142-R145 IonicContact OE2-NE 3.34Å; E142-R145 PolarHBondContact OE2-NE 3.5Å; E142-R145 IonicContact OE2-NH2 3.73Å; E142-R145 PolarHBondContact OE2-NH2 3.26Å; E142-R145 VanDerWaalsContact OE2-NH2 3.1Å; E142-N146 WeakPolarHBondContact O-CB 3.39Å; E142-N146 PolarHBondContact O-N 2.99Å
143N85.1Confident74.9Confident76 Ų7691.5 Ų91.541%0.40647%0.465SS..Hα-helixtrans-66.6-29175.3-72.6-13.7000113L139 N146L139-N143 VanDerWaalsContact O-CB 3.31Å; L139-N143 WeakPolarHBondContact O-CB 3.43Å; L139-N143 PolarHBondContact O-N 3.49Å; L139-N143 PolarHBondContact O-ND2 3.25Å; N143-N146 CarbonylContact C-O 3.55Å; N143-N146 CarbonylContact O-C 3.58Å
144K85.4Confident73.1Confident165 Ų16592 Ų9272%0.71747%0.468SS*.Hα-helixtrans-74.9-38171.3-74.3170.9-176.9172.50112.2T140 L141 E142T140-K144 VanDerWaalsContact O-CG 3.27Å; T140-K144 WeakPolarHBondContact O-CG 3.38Å; T140-K144 PolarHBondContact O-N 3.18Å; T140-K144 VanDerWaalsContact O-N 3.09Å; L141-K144 PolarHBondContact O-N 3.32Å; E142-K144 VanDerWaalsContact C-N 3.3Å; E142-K144 PolarHBondContact O-N 3.43Å
145R80.2Confident71.5Confident98 Ų9891.3 Ų91.337%0.3748%0.476SS..Hα-helixtrans-73.2-44.9-178.4-175.5-162.771.381.2-0.5111.9L141 E142 P147L141-R145 WeakPolarHBondContact O-CB 3.37Å; L141-R145 PolarHBondContact O-N 3.45Å; E142-R145 VanDerWaalsContact CD-NH2 3.31Å; E142-R145 PolarHBondContact O-N 3.07Å; E142-R145 IonicContact OE1-CZ 3.1Å; E142-R145 IonicContact OE1-NE 3.89Å; E142-R145 IonicContact OE1-NH2 3.24Å; E142-R145 PolarHBondContact OE1-NH2 3.15Å; E142-R145 IonicContact OE2-CZ 3.76Å; E142-R145 IonicContact OE2-NE 3.34Å; E142-R145 PolarHBondContact OE2-NE 3.5Å; E142-R145 IonicContact OE2-NH2 3.73Å; E142-R145 PolarHBondContact OE2-NH2 3.26Å; E142-R145 VanDerWaalsContact OE2-NH2 3.1Å; R145-P147 WeakPolarHBondContact O-CD 2.99Å
146N66.1Low69.6Low75 Ų7596.9 Ų96.940%0.40151%0.511SS..SBendtrans-98.280.5168.2-172.339.2000105E142 N143 Q148E142-N146 WeakPolarHBondContact O-CB 3.39Å; E142-N146 PolarHBondContact O-N 2.99Å; N143-N146 CarbonylContact C-O 3.55Å; N143-N146 CarbonylContact O-C 3.58Å; N146-Q148 VanDerWaalsContact C-N 3.33Å; N146-Q148 PolarHBondContact O-N 3.28Å
147P56.4Low67.6Low86 Ų8697.6 Ų97.656%0.55851%0.51SS*.  trans-51.1118.5163.625.7-30.8000102.6R145 L149R145-P147 WeakPolarHBondContact O-CD 2.99Å; P147-L149 PolarHBondContact O-N 3.19Å
148Q50Low65.7Low132 Ų13295.6 Ų95.662%0.61751%0.507SS*.  trans-43.2142.9155.1-86.5-155.3-15.100104.5N146 E150N146-Q148 VanDerWaalsContact C-N 3.33Å; N146-Q148 PolarHBondContact O-N 3.28Å; Q148-E150 HydrophobicContact CB-CB 4.23Å; Q148-E150 HydrophobicContact CB-CG 3.97Å; Q148-E150 CarbonylContact O-C 3.51Å; Q148-E150 WeakPolarHBondContact O-CA 3.45Å; Q148-E150 PolarHBondContact O-N 3.04Å
149L48.7Very low63.8Low155 Ų15598.3 Ų98.381%0.81254%0.537SS*.SBendtrans-60.139.6155.8-70.4157000110.5P147 R151P147-L149 PolarHBondContact O-N 3.19Å; L149-R151 PolarHBondContact O-N 2.91Å
150E47Very low62Low152 Ų152102.6 Ų102.671%0.7156%0.555SS**  -49.870.3125.7-68.5-166.8-156.500107.5Q148 P152Q148-E150 HydrophobicContact CB-CB 4.23Å; Q148-E150 HydrophobicContact CB-CG 3.97Å; Q148-E150 CarbonylContact O-C 3.51Å; Q148-E150 WeakPolarHBondContact O-CA 3.45Å; Q148-E150 PolarHBondContact O-N 3.04Å; E150-P152 WeakPolarHBondContact O-CD 3.48Å
151R47.5Very low59.8Low165 Ų165102.6 Ų102.662%0.62355%0.552SS**  trans-42.6121.9150.9-73.4174174164-0.5103.3L149 A153 L154L149-R151 PolarHBondContact O-N 2.91Å; R151-A153 PolarHBondContact O-N 3.22Å; R151-L154 HydrophobicContact CB-CG 4.47Å
152P49.5Very low57.8Low111 Ų111104.1 Ų104.172%0.72156%0.557SS**  trans-43.6128.9166.818.3-30.5000105.6E150 L154E150-P152 WeakPolarHBondContact O-CD 3.48Å; P152-L154 VanDerWaalsContact C-N 3.32Å; P152-L154 WeakPolarHBondContact O-CA 3.38Å; P152-L154 PolarHBondContact O-N 2.86Å
153A51.1Low55.6Low99 Ų99110.1 Ų110.182%0.81859%0.594SS**  trans-40.9106.7-173.500000106.4R151R151-A153 PolarHBondContact O-N 3.22Å
154L53.4Low53.5Low96 Ų96113.4 Ų113.450%0.50361%0.605SS.*  trans-54.1135.5-170.7-73.5170000104.4R151 P152 P156R151-L154 HydrophobicContact CB-CG 4.47Å; P152-L154 VanDerWaalsContact C-N 3.32Å; P152-L154 WeakPolarHBondContact O-CA 3.38Å; P152-L154 PolarHBondContact O-N 2.86Å; L154-P156 VanDerWaalsContact O-N 3.14Å
155P57.4Low51.4Low105 Ų105114 Ų11468%0.68262%0.616SS**SBendtrans-43.6132.4173.219.9-32.3000106.7R157P155-R157 WeakPolarHBondContact O-CA 3.05Å; P155-R157 PolarHBondContact O-N 2.88Å
156P53.2Low49.7Very low116 Ų116112.9 Ų112.975%0.75362%0.62SS**SBendtrans-38.9111.5-163.9-13.42.5000108.3L154 P158L154-P156 VanDerWaalsContact O-N 3.14Å; P156-P158 VanDerWaalsContact O-N 3.08Å
157R49.2Very low48.9Very low119 Ų119114.7 Ų114.745%0.44964%0.636SS.*  trans-48.6126.8-169-152.8-177.3178.8-167.7-2.1106.1P155 G159 L161 Q162P155-R157 WeakPolarHBondContact O-CA 3.05Å; P155-R157 PolarHBondContact O-N 2.88Å; R157-G159 PolarHBondContact O-N 3.34Å; R157-L161 VanDerWaalsContact CD-O 3.3Å; R157-L161 WeakPolarHBondContact CD-O 3.27Å; R157-L161 HydrophobicContact CG-CB 3.67Å; R157-L161 HydrophobicContact CG-CD1 4.11Å; R157-L161 PolarHBondContact NH1-O 2.86Å; R157-Q162 HydrophobicContact CB-CG 4.33Å
158P52.1Low49.5Very low76 Ų76115.9 Ų115.949%0.49464%0.638SS.*  trans-45.1131.9-177.6-27.932000108P156 F160 L161P156-P158 VanDerWaalsContact O-N 3.08Å; P158-F160 PolarHBondContact O-N 2.89Å; P158-L161 PolarHBondContact O-N 3.1Å
159G50.8Low50.9Low66 Ų66112.6 Ų112.668%0.6862%0.623SS**THydrogen-bonded Turntrans-51.8-12.9-16200000116.3R157R157-G159 PolarHBondContact O-N 3.34Å
160F53.4Low52.6Low113 Ų113105.4 Ų105.450%0.49659%0.586SS.*THydrogen-bonded Turntrans-66.8-26.1170.3-176.1-108.4000115.3P158 I263P158-F160 PolarHBondContact O-N 2.89Å; F160-I263 HydrophobicContact CZ-CG2 4.45Å
161L44.1Very low54.3Low75 Ų75101.3 Ų101.339%0.39358%0.577SS.*SBendtrans-112.40.8-176.9-59.2174.2000113.9R157 P158 T163R157-L161 VanDerWaalsContact CD-O 3.3Å; R157-L161 WeakPolarHBondContact CD-O 3.27Å; R157-L161 HydrophobicContact CG-CB 3.67Å; R157-L161 HydrophobicContact CG-CD1 4.11Å; R157-L161 PolarHBondContact NH1-O 2.86Å; P158-L161 PolarHBondContact O-N 3.1Å; L161-T163 VanDerWaalsContact C-N 3.3Å; L161-T163 PolarHBondContact O-N 2.77Å
162Q45.1Very low56.3Low106 Ų10693.4 Ų93.450%0.49555%0.548SS..  trans-68100.7159.2-66.5-164.82600106.1R157 K164R157-Q162 HydrophobicContact CB-CG 4.33Å; Q162-K164 PolarHBondContact O-N 2.83Å
163T41.5Very low58.3Low127 Ų12790.8 Ų90.878%0.77953%0.525SS*.  trans-60.386.4149.543.50000104.6L161 D165L161-T163 VanDerWaalsContact C-N 3.3Å; L161-T163 PolarHBondContact O-N 2.77Å; T163-D165 PolarHBondContact O-N 3.11Å
164K41.6Very low60.3Low144 Ų14488.2 Ų88.263%0.62650%0.495SS*.  trans-46.5139.4154.7-67.7-178176.1178.80104.8Q162 T166Q162-K164 PolarHBondContact O-N 2.83Å; K164-T166 HydrophobicContact CB-CG2 3.62Å; K164-T166 HydrophobicContact CD-CG2 4.38Å; K164-T166 PolarHBondContact O-N 2.6Å; K164-T166 PolarHBondContact O-OG1 3.43Å; K164-T166 VanDerWaalsContact O-OG1 3.06Å
165D41.6Very low62.1Low178 Ų17890.2 Ų90.295%0.95251%0.507SS*.SBendtrans-60.372.6163.6-69.7-49.8000108.4T163T163-D165 PolarHBondContact O-N 3.11Å
166T44.4Very low63.8Low74 Ų7486.5 Ų86.545%0.45448%0.482SS..  trans-128129.6179.449.20000104.7K164 D168K164-T166 HydrophobicContact CB-CG2 3.62Å; K164-T166 HydrophobicContact CD-CG2 4.38Å; K164-T166 PolarHBondContact O-N 2.6Å; K164-T166 PolarHBondContact O-OG1 3.43Å; K164-T166 VanDerWaalsContact O-OG1 3.06Å; T166-D168 PolarHBondContact O-N 3.06Å; T166-D168 VanDerWaalsContact O-N 3.07Å
167P49.1Very low65.7Low114 Ų11484.5 Ų84.574%0.7447%0.468SS*.THydrogen-bonded Turntrans-55.2117.5-170.922.1-32.9000110.2M169P167-M169 WeakPolarHBondContact O-CA 3.36Å; P167-M169 PolarHBondContact O-N 3.17Å
168D68.5Low67.8Low111 Ų11185.4 Ų85.459%0.59447%0.471SS*.THydrogen-bonded Turntrans22.256.9160.6-163.835.6000115.3T166 N245T166-D168 PolarHBondContact O-N 3.06Å; T166-D168 VanDerWaalsContact O-N 3.07Å; D168-N245 PolarHBondContact O-ND2 2.81Å; D168-N245 PolarHBondContact OD1-ND2 3.12Å; D168-N245 PolarHBondContact OD2-ND2 3.47Å
169M79.3Confident69.9Low62 Ų6289.1 Ų89.131%0.30548%0.482SS..  trans-90.1126.8-171.8-169.868.583.700109.1P167 F173 Y205 L244P167-M169 WeakPolarHBondContact O-CA 3.36Å; P167-M169 PolarHBondContact O-N 3.17Å; M169-F173 HydrophobicContact CE-CD1 4.02Å; M169-F173 HydrophobicContact CE-CD2 4.11Å; M169-F173 HydrophobicContact CE-CE1 3.88Å; M169-F173 HydrophobicContact CE-CE2 3.97Å; M169-F173 HydrophobicContact CE-CG 4.13Å; M169-F173 HydrophobicContact CE-CZ 3.85Å; M169-F173 HydrophobicContact CG-CB 3.47Å; M169-F173 VanDerWaalsContact CG-CB 3.47Å; M169-F173 HydrophobicContact CG-CD1 3.61Å; M169-F173 HydrophobicContact CG-CD2 4.2Å; M169-F173 HydrophobicContact CG-CE1 4.4Å; M169-F173 HydrophobicContact CG-CG 3.48Å; M169-F173 VanDerWaalsContact CG-CG 3.48Å; M169-F173 HydrophobicContact SD-CB 3.82Å; M169-F173 HydrophobicContact SD-CD1 3.84Å; M169-F173 HydrophobicContact SD-CD2 3.46Å; M169-F173 WeakPolarHBondContact SD-CD2 3.18Å; M169-F173 HydrophobicContact SD-CE1 4.26Å; M169-F173 HydrophobicContact SD-CE2 3.92Å; M169-F173 HydrophobicContact SD-CG 3.4Å; M169-F173 WeakPolarHBondContact SD-CG 3.45Å; M169-F173 HydrophobicContact SD-CZ 4.3Å; M169-Y205 HydrophobicContact CE-CE1 4.3Å; M169-L244 HydrophobicContact CE-CD1 4.45Å; M169-L244 HydrophobicContact SD-CD1 3.71Å
170P84.5Confident71.9Confident5 Ų590.5 Ų90.53%0.03247%0.471CS..  trans-62.6148.5-176.719.7-30.1000112.3C172 F173 L196 L244 N245 L248P170-C172 PolarHBondContact O-N 2.76Å; P170-F173 HydrophobicContact CG-CB 4.44Å; P170-F173 VanDerWaalsContact O-CB 3.25Å; P170-F173 WeakPolarHBondContact O-CB 3.29Å; P170-F173 PolarHBondContact O-N 3.02Å; P170-L196 HydrophobicContact CG-CD2 3.4Å; P170-L196 VanDerWaalsContact CG-CD2 3.4Å; P170-L244 HydrophobicContact CG-CB 4.05Å; P170-N245 WeakPolarHBondContact CA-OD1 3.29Å; P170-N245 WeakPolarHBondContact CB-OD1 3.47Å; P170-L248 HydrophobicContact CB-CD2 4.06Å
171A83.1Confident73.9Confident65 Ų6585.1 Ų85.154%0.53745%0.447SS..THydrogen-bonded Turntrans-58.7-22.7-176.900000114.5
172C88.9Confident76.3Confident0 Ų083.6 Ų83.60%044%0.438CS..THydrogen-bonded Turntrans-96.320.4175.666.80000113.5P170 F174 I194 L196 P261P170-C172 PolarHBondContact O-N 2.76Å; C172-F174 WeakPolarHBondContact O-CD2 3.48Å; C172-I194 WeakPolarHBondContact CB-O 3.46Å; C172-L196 PolarHBondContact O-N 2.78Å; C172-P261 HydrophobicContact CB-CB 3.69Å
173F92.6Very high78.6Confident55 Ų5584.3 Ų84.324%0.24144%0.439CS..BIsolated β-bridgetrans-81.1123.3171.2179.6-96.9000110.8M169 P170 L196 Y205M169-F173 HydrophobicContact CE-CD1 4.02Å; M169-F173 HydrophobicContact CE-CD2 4.11Å; M169-F173 HydrophobicContact CE-CE1 3.88Å; M169-F173 HydrophobicContact CE-CE2 3.97Å; M169-F173 HydrophobicContact CE-CG 4.13Å; M169-F173 HydrophobicContact CE-CZ 3.85Å; M169-F173 HydrophobicContact CG-CB 3.47Å; M169-F173 VanDerWaalsContact CG-CB 3.47Å; M169-F173 HydrophobicContact CG-CD1 3.61Å; M169-F173 HydrophobicContact CG-CD2 4.2Å; M169-F173 HydrophobicContact CG-CE1 4.4Å; M169-F173 HydrophobicContact CG-CG 3.48Å; M169-F173 VanDerWaalsContact CG-CG 3.48Å; M169-F173 HydrophobicContact SD-CB 3.82Å; M169-F173 HydrophobicContact SD-CD1 3.84Å; M169-F173 HydrophobicContact SD-CD2 3.46Å; M169-F173 WeakPolarHBondContact SD-CD2 3.18Å; M169-F173 HydrophobicContact SD-CE1 4.26Å; M169-F173 HydrophobicContact SD-CE2 3.92Å; M169-F173 HydrophobicContact SD-CG 3.4Å; M169-F173 WeakPolarHBondContact SD-CG 3.45Å; M169-F173 HydrophobicContact SD-CZ 4.3Å; P170-F173 HydrophobicContact CG-CB 4.44Å; P170-F173 VanDerWaalsContact O-CB 3.25Å; P170-F173 WeakPolarHBondContact O-CB 3.29Å; P170-F173 PolarHBondContact O-N 3.02Å; F173-L196 CarbonylContact C-O 3.57Å; F173-L196 VanDerWaalsContact CA-O 3.29Å; F173-L196 WeakPolarHBondContact CA-O 3.32Å; F173-L196 HydrophobicContact CD2-CB 4.41Å; F173-L196 HydrophobicContact CD2-CD2 4.1Å; F173-L196 HydrophobicContact CD2-CG 4.17Å; F173-Y205 AromaticContact CE2-CD1 3.96Å; F173-Y205 HydrophobicContact CE2-CD1 3.96Å; F173-Y205 AromaticContact CE2-CE1 3.85Å; F173-Y205 HydrophobicContact CE2-CE1 3.85Å; F173-Y205 HydrophobicContact CZ-CE1 4.47Å
174F91.8Very high81.1Confident45 Ų4580.5 Ų80.520%0.19741%0.414CS..  trans-128.9133.5175.3-67.3-92.2000109.3C172 V176 I195 L196 R197 P198 Y262 V264C172-F174 WeakPolarHBondContact O-CD2 3.48Å; F174-V176 HydrophobicContact CB-CG1 4.09Å; F174-V176 HydrophobicContact CB-CG2 3.85Å; F174-V176 PolarHBondContact O-N 3.23Å; F174-I195 HydrophobicContact CB-CG2 4.21Å; F174-I195 HydrophobicContact CD2-CG1 4.39Å; F174-I195 HydrophobicContact CD2-CG2 4.1Å; F174-L196 PolarHBondContact N-O 3.41Å; F174-R197 WeakPolarHBondContact O-CA 3.33Å; F174-R197 WeakPolarHBondContact O-CB 3.39Å; F174-P198 WeakPolarHBondContact O-CD 3.48Å; F174-Y262 HydrophobicContact CD2-CD1 4.42Å; F174-Y262 AromaticContact CE2-CD1 3.68Å; F174-Y262 HydrophobicContact CE2-CD1 3.68Å; F174-Y262 WeakPolarHBondContact CE2-O 3.32Å; F174-Y262 AromaticContact CZ-CD1 3.79Å; F174-Y262 HydrophobicContact CZ-CD1 3.79Å; F174-Y262 HydrophobicContact CZ-CE1 4.29Å; F174-V264 HydrophobicContact CE1-CG2 3.76Å; F174-V264 HydrophobicContact CZ-CG2 3.95Å
175D91.6Very high83.6Confident139 Ų13973.6 Ų73.674%0.74338%0.384SS*.  trans-7877.4172.7-168.89.6000109.4P198D175-P198 WeakPolarHBondContact OD1-CG 3.42Å
176V92.4Very high86Confident26 Ų2668 Ų6816%0.15836%0.359CS..  trans-137.2155.1-176-65.20000110.7F174 E180 A181 L184 I195 R197F174-V176 HydrophobicContact CB-CG1 4.09Å; F174-V176 HydrophobicContact CB-CG2 3.85Å; F174-V176 PolarHBondContact O-N 3.23Å; V176-E180 HydrophobicContact CB-CB 3.96Å; V176-E180 HydrophobicContact CG1-CB 4.48Å; V176-A181 HydrophobicContact CG2-CB 3.93Å; V176-L184 HydrophobicContact CG1-CD1 4.25Å; V176-I195 HydrophobicContact CG2-CG2 4.23Å; V176-R197 HydrophobicContact CG2-CB 4.09Å; V176-R197 WeakPolarHBondContact O-CB 3.47Å; V176-R197 WeakPolarHBondContact O-CD 3.17Å
177T94.1Very high88.3Confident74 Ų7470.1 Ų70.145%0.45436%0.364SS..  trans-74.1170.8173.765.70000112Q179 E180 A181T177-Q179 VanDerWaalsContact C-N 3.34Å; T177-Q179 PolarHBondContact O-N 3.48Å; T177-E180 WeakPolarHBondContact CB-OE2 3.31Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.36Å; T177-E180 PolarHBondContact N-OE2 3.17Å; T177-E180 PolarHBondContact O-N 3.43Å; T177-E180 VanDerWaalsContact OG1-CD 3.23Å; T177-E180 VanDerWaalsContact OG1-CG 3.31Å; T177-E180 WeakPolarHBondContact OG1-CG 3.43Å; T177-E180 PolarHBondContact OG1-N 2.86Å; T177-E180 PolarHBondContact OG1-OE2 3.13Å; T177-A181 WeakPolarHBondContact O-CB 3.35Å; T177-A181 PolarHBondContact O-N 2.97Å
178R94Very high90.2Very high138 Ų13866.8 Ų66.852%0.52134%0.34SS..Hα-helixtrans-54.2-49.5173.5177.6173.3172-174.4-2.5112.6E180 A181 E182 R197 N221R178-E180 VanDerWaalsContact C-N 3.35Å; R178-A181 PolarHBondContact O-N 3.44Å; R178-E182 IonicContact CZ-OE1 3.1Å; R178-E182 IonicContact NE-OE1 3.7Å; R178-E182 PolarHBondContact NE-OE1 2.91Å; R178-E182 IonicContact NH2-OE1 2.75Å; R178-E182 PolarHBondContact NH2-OE1 2.82Å; R178-E182 WeakPolarHBondContact O-CB 3.36Å; R178-E182 WeakPolarHBondContact O-CG 3.4Å; R178-E182 PolarHBondContact O-N 2.89Å; R178-R197 VanDerWaalsContact CB-NH2 3.34Å; R178-N221 PolarHBondContact NE-ND2 3.42Å
179Q95.2Very high91.1Very high154 Ų15464.2 Ų64.272%0.7233%0.329SS*.Hα-helixtrans-67.2-39.6-175.2-67.8174.4-14.500111T177 E182 K183T177-Q179 VanDerWaalsContact C-N 3.34Å; T177-Q179 PolarHBondContact O-N 3.48Å; Q179-E182 PolarHBondContact O-N 3.49Å; Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 3.12Å
180E93.4Very high91.5Very high96 Ų9666.5 Ų66.545%0.44934%0.339SS..Hα-helixtrans-65.9-42.4176.1-72163.6160.800112V176 T177 R178 K183 L184V176-E180 HydrophobicContact CB-CB 3.96Å; V176-E180 HydrophobicContact CG1-CB 4.48Å; T177-E180 WeakPolarHBondContact CB-OE2 3.31Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.36Å; T177-E180 PolarHBondContact N-OE2 3.17Å; T177-E180 PolarHBondContact O-N 3.43Å; T177-E180 VanDerWaalsContact OG1-CD 3.23Å; T177-E180 VanDerWaalsContact OG1-CG 3.31Å; T177-E180 WeakPolarHBondContact OG1-CG 3.43Å; T177-E180 PolarHBondContact OG1-N 2.86Å; T177-E180 PolarHBondContact OG1-OE2 3.13Å; R178-E180 VanDerWaalsContact C-N 3.35Å; E180-K183 WeakPolarHBondContact O-CB 3.42Å; E180-K183 PolarHBondContact O-N 2.74Å; E180-L184 WeakPolarHBondContact O-CB 3.42Å; E180-L184 VanDerWaalsContact O-CG 3.29Å; E180-L184 WeakPolarHBondContact O-CG 3.45Å; E180-L184 PolarHBondContact O-N 3.07Å
181A94.5Very high91.7Very high0 Ų067.3 Ų67.30%034%0.343CS..Hα-helixtrans-63.9-42.5175.800000112.5V176 T177 R178 K183 L184 L185 I195 T208V176-A181 HydrophobicContact CG2-CB 3.93Å; T177-A181 WeakPolarHBondContact O-CB 3.35Å; T177-A181 PolarHBondContact O-N 2.97Å; R178-A181 PolarHBondContact O-N 3.44Å; A181-K183 VanDerWaalsContact C-N 3.29Å; A181-K183 PolarHBondContact O-N 3.38Å; A181-L184 PolarHBondContact O-N 3.38Å; A181-L185 WeakPolarHBondContact O-CG 3.5Å; A181-L185 PolarHBondContact O-N 2.8Å; A181-I195 HydrophobicContact CB-CB 4.38Å; A181-I195 HydrophobicContact CB-CD1 4.3Å; A181-I195 HydrophobicContact CB-CG2 4.02Å; A181-T208 HydrophobicContact CB-CG2 4.24Å
182E94.8Very high92.1Very high43 Ų4364.2 Ų64.220%0.20132%0.318CS..Hα-helixtrans-60.3-40.6174.5-75.4174.6179.900111.4R178 Q179 S186 T208 L219 N221R178-E182 IonicContact CZ-OE1 3.1Å; R178-E182 IonicContact NE-OE1 3.7Å; R178-E182 PolarHBondContact NE-OE1 2.91Å; R178-E182 IonicContact NH2-OE1 2.75Å; R178-E182 PolarHBondContact NH2-OE1 2.82Å; R178-E182 WeakPolarHBondContact O-CB 3.36Å; R178-E182 WeakPolarHBondContact O-CG 3.4Å; R178-E182 PolarHBondContact O-N 2.89Å; Q179-E182 PolarHBondContact O-N 3.49Å; E182-S186 WeakPolarHBondContact O-CB 3.38Å; E182-S186 PolarHBondContact O-N 3.24Å; E182-S186 VanDerWaalsContact O-N 3.12Å; E182-S186 PolarHBondContact O-OG 3.38Å; E182-T208 HydrophobicContact CG-CG2 3.87Å; E182-L219 HydrophobicContact CB-CD1 3.92Å; E182-L219 HydrophobicContact CG-CD1 4.05Å; E182-N221 PolarHBondContact OE1-ND2 3.21Å
183K94.6Very high92.3Very high121 Ų12165.6 Ų65.653%0.52633%0.325SS..Hα-helixtrans-65.2-49.8175.3-175.2-178.8177.5-173.70111.9Q179 E180 A181 L185 S186 E187Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 3.12Å; E180-K183 WeakPolarHBondContact O-CB 3.42Å; E180-K183 PolarHBondContact O-N 2.74Å; A181-K183 VanDerWaalsContact C-N 3.29Å; A181-K183 PolarHBondContact O-N 3.38Å; K183-L185 VanDerWaalsContact C-N 3.34Å; K183-L185 PolarHBondContact O-N 2.81Å; K183-S186 PolarHBondContact O-N 2.79Å; K183-E187 WeakPolarHBondContact CE-OE1 3.27Å; K183-E187 VanDerWaalsContact CE-OE2 3.3Å; K183-E187 WeakPolarHBondContact CE-OE2 3.42Å; K183-E187 HydrophobicContact CG-CG 4.19Å; K183-E187 IonicContact NZ-OE1 3.34Å; K183-E187 WeakPolarHBondContact O-CB 3.5Å; K183-E187 WeakPolarHBondContact O-CG 3.49Å; K183-E187 PolarHBondContact O-N 2.97Å
184L93.7Very high92.4Very high46 Ų4663 Ų6324%0.24131%0.313CS..Hα-helixtrans-56.8-46.3179.6-75.6171.6000112.2V176 E180 A181 S186 N188 I195V176-L184 HydrophobicContact CG1-CD1 4.25Å; E180-L184 WeakPolarHBondContact O-CB 3.42Å; E180-L184 VanDerWaalsContact O-CG 3.29Å; E180-L184 WeakPolarHBondContact O-CG 3.45Å; E180-L184 PolarHBondContact O-N 3.07Å; A181-L184 PolarHBondContact O-N 3.38Å; L184-S186 VanDerWaalsContact C-N 3.28Å; L184-S186 PolarHBondContact O-N 2.85Å; L184-N188 PolarHBondContact O-N 2.79Å; L184-N188 VanDerWaalsContact O-N 3.11Å; L184-N188 PolarHBondContact O-ND2 3.22Å; L184-I195 HydrophobicContact CB-CD1 3.81Å; L184-I195 HydrophobicContact CD1-CD1 4.11Å
185L93.8Very high92.6Very high0 Ų060.8 Ų60.80%030%0.304CS..Hα-helixtrans-67.3-29.2177.3-71.4174000112.6A181 K183 G192 D193 I195 T208 R210 L219 Y262A181-L185 WeakPolarHBondContact O-CG 3.5Å; A181-L185 PolarHBondContact O-N 2.8Å; K183-L185 VanDerWaalsContact C-N 3.34Å; K183-L185 PolarHBondContact O-N 2.81Å; L185-G192 WeakPolarHBondContact CD2-O 3.27Å; L185-D193 VanDerWaalsContact CD2-C 3.46Å; L185-I195 HydrophobicContact CD1-CD1 4.43Å; L185-I195 HydrophobicContact CD1-CG1 4.43Å; L185-I195 HydrophobicContact CD2-CD1 4.01Å; L185-I195 HydrophobicContact CD2-CG1 3.96Å; L185-I195 HydrophobicContact CG-CD1 3.77Å; L185-I195 HydrophobicContact CG-CG1 4.09Å; L185-T208 HydrophobicContact CD1-CG2 3.93Å; L185-R210 HydrophobicContact CB-CB 4.08Å; L185-R210 HydrophobicContact CD1-CB 4.28Å; L185-R210 WeakPolarHBondContact O-CD 3.42Å; L185-R210 PolarHBondContact O-NH1 3.32Å; L185-L219 HydrophobicContact CB-CD2 4.21Å; L185-L219 HydrophobicContact CD1-CD2 4.34Å; L185-Y262 HydrophobicContact CD2-CD2 3.74Å; L185-Y262 HydrophobicContact CD2-CE2 4.47Å; L185-Y262 HydrophobicContact CD2-CG 4.37Å
186S91.5Very high92.8Very high60 Ų6054.3 Ų54.342%0.4227%0.269SS..Hα-helixtrans-79.2-43.9-180-60.70000111.9E182 K183 L184E182-S186 WeakPolarHBondContact O-CB 3.38Å; E182-S186 PolarHBondContact O-N 3.24Å; E182-S186 VanDerWaalsContact O-N 3.12Å; E182-S186 PolarHBondContact O-OG 3.38Å; K183-S186 PolarHBondContact O-N 2.79Å; L184-S186 VanDerWaalsContact C-N 3.28Å; L184-S186 PolarHBondContact O-N 2.85Å
187E92.3Very high92.8Very high119 Ų11953.7 Ų53.756%0.55626%0.264SS*.Hα-helixtrans-74.9-30.9-176.8-70.3179.7166.700112.9K183 P189K183-E187 WeakPolarHBondContact CE-OE1 3.27Å; K183-E187 VanDerWaalsContact CE-OE2 3.3Å; K183-E187 WeakPolarHBondContact CE-OE2 3.42Å; K183-E187 HydrophobicContact CG-CG 4.19Å; K183-E187 IonicContact NZ-OE1 3.34Å; K183-E187 WeakPolarHBondContact O-CB 3.5Å; K183-E187 WeakPolarHBondContact O-CG 3.49Å; K183-E187 PolarHBondContact O-N 2.97Å; E187-P189 VanDerWaalsContact C-CD 3.47Å; E187-P189 WeakPolarHBondContact O-CD 3.4Å
188N89.3Confident92.8Very high44 Ų4452 Ų5224%0.23525%0.254CS..  trans-125.368.5-173.1-50.9-85.3000112.1L184 E190 N191 Y262L184-N188 PolarHBondContact O-N 2.79Å; L184-N188 VanDerWaalsContact O-N 3.11Å; L184-N188 PolarHBondContact O-ND2 3.22Å; N188-E190 WeakPolarHBondContact CB-OE1 3.34Å; N188-E190 PolarHBondContact O-N 2.64Å; N188-N191 HydrophobicContact CB-CB 4.13Å; N188-N191 WeakPolarHBondContact CB-ND2 3.39Å; N188-N191 PolarHBondContact O-N 2.84Å; N188-Y262 HydrophobicContact CB-CE2 4.1Å; N188-Y262 WeakPolarHBondContact CB-OH 3.13Å; N188-Y262 PolarHBondContact ND2-OH 3.33Å
189P87.4Confident92.6Very high57 Ų5746.7 Ų46.737%0.3724%0.238SC..THydrogen-bonded Turntrans-53.7-31.7176.915.1-26.5000114.8E187 N191 R210E187-P189 VanDerWaalsContact C-CD 3.47Å; E187-P189 WeakPolarHBondContact O-CD 3.4Å; P189-N191 VanDerWaalsContact C-N 3.32Å; P189-R210 VanDerWaalsContact CA-NH1 3.34Å; P189-R210 VanDerWaalsContact CB-NH1 3.25Å
190E87.8Confident92.1Very high110 Ų11046.2 Ų46.251%0.51425%0.246SC..THydrogen-bonded Turntrans-69.6-31.2-175.667.7-69.116300112.7N188 G192 R260N188-E190 WeakPolarHBondContact CB-OE1 3.34Å; N188-E190 PolarHBondContact O-N 2.64Å; E190-G192 VanDerWaalsContact C-N 3.34Å; E190-G192 PolarHBondContact O-N 2.77Å; E190-R260 PolarHBondContact O-NH2 3.39Å
191N89.1Confident91.5Very high21 Ų2146.4 Ų46.411%0.11225%0.248CC..THydrogen-bonded Turntrans-77.2-19.4-174.6-73.9-18.7000112.8N188 P189 Y262 I263 A265N188-N191 HydrophobicContact CB-CB 4.13Å; N188-N191 WeakPolarHBondContact CB-ND2 3.39Å; N188-N191 PolarHBondContact O-N 2.84Å; P189-N191 VanDerWaalsContact C-N 3.32Å; N191-Y262 HydrophobicContact CB-CD2 3.78Å; N191-Y262 HydrophobicContact CB-CE1 4.29Å; N191-Y262 HydrophobicContact CB-CE2 3.34Å; N191-Y262 HydrophobicContact CB-CG 4.43Å; N191-Y262 PolarHBondContact ND2-OH 3.45Å; N191-Y262 CarbonylContact O-C 3.49Å; N191-Y262 VanDerWaalsContact O-CA 3.28Å; N191-Y262 WeakPolarHBondContact O-CA 3.27Å; N191-I263 WeakPolarHBondContact CB-O 3.48Å; N191-I263 PolarHBondContact O-N 3.22Å; N191-I263 PolarHBondContact OD1-O 2.75Å; N191-A265 PolarHBondContact OD1-N 3.07Å
192G91.4Very high90.7Very high1 Ų151.5 Ų51.51%0.0128%0.281CS..  trans136.3-177.6173.400000113.3L185 E190L185-G192 WeakPolarHBondContact CD2-O 3.27Å; E190-G192 VanDerWaalsContact C-N 3.34Å; E190-G192 PolarHBondContact O-N 2.77Å
193D93.8Very high90Very high28 Ų2858.2 Ų58.215%0.1531%0.31CS..SBendtrans-119.5-12-165.4-53.4-73.5000113.6L185 L209 R210 L259 R260L185-D193 VanDerWaalsContact CD2-C 3.46Å; D193-L209 CarbonylContact O-C 3.49Å; D193-L209 VanDerWaalsContact O-CA 3.23Å; D193-L209 WeakPolarHBondContact O-CA 3.45Å; D193-R210 PolarHBondContact O-N 3.09Å; D193-L259 HydrophobicContact CB-CB 4.04Å; D193-L259 HydrophobicContact CB-CD2 3.95Å; D193-L259 HydrophobicContact CB-CG 4.49Å; D193-R260 PolarHBondContact N-O 2.9Å; D193-R260 PolarHBondContact OD2-N 3.27Å
194I94.8Very high89.8Confident0 Ų053.8 Ų53.80%029%0.292CS..EExtended strand (participates in β ladder)trans-129.2126.4-174.7-58.8172.6000110.9C172 L207 L209 L248 F251 L252 L259 R260 Y262C172-I194 WeakPolarHBondContact CB-O 3.46Å; I194-L207 HydrophobicContact CG2-CD1 3.86Å; I194-L207 HydrophobicContact CG2-CD2 4Å; I194-L207 HydrophobicContact CG2-CG 3.87Å; I194-L209 HydrophobicContact CG1-CB 4.14Å; I194-L248 HydrophobicContact CB-CD1 4.45Å; I194-L248 HydrophobicContact CD1-CD1 4.35Å; I194-L248 HydrophobicContact CG2-CD1 3.83Å; I194-F251 HydrophobicContact CD1-CB 4.36Å; I194-L252 HydrophobicContact CD1-CD2 4Å; I194-L259 HydrophobicContact CD1-CB 3.68Å; I194-L259 HydrophobicContact CD1-CD1 4.19Å; I194-L259 HydrophobicContact CG1-CB 3.98Å; I194-L259 HydrophobicContact CG1-CD1 4.21Å; I194-R260 PolarHBondContact N-O 3.16Å; I194-Y262 VanDerWaalsContact O-CB 3.23Å; I194-Y262 WeakPolarHBondContact O-CB 3.12Å; I194-Y262 PolarHBondContact O-N 3.04Å
195I95.2Very high89.8Confident0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-120.5128.9170.6-69175000109.3F174 V176 A181 L184 L185 R197 T208 Y262F174-I195 HydrophobicContact CB-CG2 4.21Å; F174-I195 HydrophobicContact CD2-CG1 4.39Å; F174-I195 HydrophobicContact CD2-CG2 4.1Å; V176-I195 HydrophobicContact CG2-CG2 4.23Å; A181-I195 HydrophobicContact CB-CB 4.38Å; A181-I195 HydrophobicContact CB-CD1 4.3Å; A181-I195 HydrophobicContact CB-CG2 4.02Å; L184-I195 HydrophobicContact CB-CD1 3.81Å; L184-I195 HydrophobicContact CD1-CD1 4.11Å; L185-I195 HydrophobicContact CD1-CD1 4.43Å; L185-I195 HydrophobicContact CD1-CG1 4.43Å; L185-I195 HydrophobicContact CD2-CD1 4.01Å; L185-I195 HydrophobicContact CD2-CG1 3.96Å; L185-I195 HydrophobicContact CG-CD1 3.77Å; L185-I195 HydrophobicContact CG-CG1 4.09Å; I195-R197 HydrophobicContact CG2-CB 4.47Å; I195-T208 PolarHBondContact N-O 3.41Å; I195-T208 PolarHBondContact O-N 3.1Å; I195-Y262 HydrophobicContact CD1-CD1 4.03Å; I195-Y262 HydrophobicContact CD1-CD2 4.26Å; I195-Y262 HydrophobicContact CD1-CE1 4.47Å; I195-Y262 HydrophobicContact CD1-CG 3.92Å; I195-Y262 VanDerWaalsContact CG1-CB 3.48Å; I195-Y262 HydrophobicContact CG1-CD1 4.1Å; I195-Y262 HydrophobicContact CG1-CD2 4.39Å; I195-Y262 HydrophobicContact CG1-CG 3.76Å
196L94.9Very high89.8Confident3 Ų354.3 Ų54.32%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-94.4136.7166-169.473.4000108.9P170 C172 F173 F174 L207 L244P170-L196 HydrophobicContact CG-CD2 3.4Å; P170-L196 VanDerWaalsContact CG-CD2 3.4Å; C172-L196 PolarHBondContact O-N 2.78Å; F173-L196 CarbonylContact C-O 3.57Å; F173-L196 VanDerWaalsContact CA-O 3.29Å; F173-L196 WeakPolarHBondContact CA-O 3.32Å; F173-L196 HydrophobicContact CD2-CB 4.41Å; F173-L196 HydrophobicContact CD2-CD2 4.1Å; F173-L196 HydrophobicContact CD2-CG 4.17Å; F174-L196 PolarHBondContact N-O 3.41Å; L196-L207 HydrophobicContact CD1-CB 4.11Å; L196-L207 HydrophobicContact CD1-CD1 4.39Å; L196-L244 HydrophobicContact CD2-CB 3.95Å; L196-L244 HydrophobicContact CD2-CD1 4.05Å; L196-L244 HydrophobicContact CD2-CD2 4.11Å; L196-L244 HydrophobicContact CD2-CG 4.24Å
197R94.1Very high90Very high13 Ų1351.5 Ų51.55%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-146.8161.5-17658.8173.2177.179.13.3111.8F174 V176 R178 I195 A206 T208 N221F174-R197 WeakPolarHBondContact O-CA 3.33Å; F174-R197 WeakPolarHBondContact O-CB 3.39Å; V176-R197 HydrophobicContact CG2-CB 4.09Å; V176-R197 WeakPolarHBondContact O-CB 3.47Å; V176-R197 WeakPolarHBondContact O-CD 3.17Å; R178-R197 VanDerWaalsContact CB-NH2 3.34Å; I195-R197 HydrophobicContact CG2-CB 4.47Å; R197-A206 HydrophobicContact CG-CB 4.33Å; R197-A206 WeakPolarHBondContact CG-O 3.41Å; R197-A206 PolarHBondContact N-O 3Å; R197-A206 PolarHBondContact O-N 3.42Å; R197-A206 VanDerWaalsContact O-O 3.11Å; R197-T208 PolarHBondContact NE-OG1 3.33Å; R197-N221 PolarHBondContact NH2-OD1 3.21Å
198P93.2Very high90.1Very high38 Ų3845.8 Ų45.825%0.24725%0.246CC..EExtended strand (participates in β ladder)trans-60.7148.7169.724.6-32.4000111.5F174 D175F174-P198 WeakPolarHBondContact O-CD 3.48Å; D175-P198 WeakPolarHBondContact OD1-CG 3.42Å
199S89.9Confident90.4Very high27 Ų2743.9 Ų43.919%0.18924%0.236CC..  trans-87.1162.6170.1-168.60000110.4M201 N204S199-M201 PolarHBondContact O-N 3.06Å; S199-N204 VanDerWaalsContact CB-C 3.5Å; S199-N204 VanDerWaalsContact CB-O 3.3Å; S199-N204 WeakPolarHBondContact CB-O 3.5Å; S199-N204 PolarHBondContact N-O 2.88Å
200T84.1Confident90.7Very high143 Ų14342.3 Ų42.388%0.87722%0.222SC*.SBendtrans-61.9-25.2171.4-46.70000111.8
201M81.2Confident90.8Very high100 Ų10040 Ų4049%0.49321%0.211SC..SBendtrans-84.4134176.3-63.6-60-73.700110.5S199 K203 N204S199-M201 PolarHBondContact O-N 3.06Å; M201-K203 PolarHBondContact O-N 3.26Å; M201-N204 HydrophobicContact CB-CB 4.16Å; M201-N204 WeakPolarHBondContact CB-ND2 3.47Å; M201-N204 PolarHBondContact O-N 3.02Å
202P77.8Confident90.6Very high108 Ų10846.8 Ų46.870%0.70124%0.24SC*.THydrogen-bonded Turntrans-59.1139.5-178.424.1-33.1000110.9N204P202-N204 PolarHBondContact O-N 3.43Å; P202-N204 VanDerWaalsContact O-N 3.17Å
203K79.7Confident90.4Very high184 Ų18450.2 Ų50.280%0.826%0.258SS*.THydrogen-bonded Turntrans61.612.4-179-54.3-177.9178.4-1790115.6M201 S226M201-K203 PolarHBondContact O-N 3.26Å; K203-S226 WeakPolarHBondContact O-CB 3.27Å
204N90.5Very high89.8Confident27 Ų2757.2 Ų57.214%0.14430%0.295CS..  trans-109.1161.5173.4-70.4-44.7000111.3S199 M201 P202 T225 S226S199-N204 VanDerWaalsContact CB-C 3.5Å; S199-N204 VanDerWaalsContact CB-O 3.3Å; S199-N204 WeakPolarHBondContact CB-O 3.5Å; S199-N204 PolarHBondContact N-O 2.88Å; M201-N204 HydrophobicContact CB-CB 4.16Å; M201-N204 WeakPolarHBondContact CB-ND2 3.47Å; M201-N204 PolarHBondContact O-N 3.02Å; P202-N204 PolarHBondContact O-N 3.43Å; P202-N204 VanDerWaalsContact O-N 3.17Å; N204-T225 VanDerWaalsContact OD1-CA 3.31Å; N204-T225 WeakPolarHBondContact OD1-CA 3.21Å; N204-S226 PolarHBondContact OD1-N 3.46Å
205Y93.8Very high89.2Confident50 Ų5069.1 Ų69.120%0.19634%0.34CS..EExtended strand (participates in β ladder)trans-122.1164.2-177.2-61.2-87.1000110.8M169 F173 V224 F231 L244M169-Y205 HydrophobicContact CE-CE1 4.3Å; F173-Y205 AromaticContact CE2-CD1 3.96Å; F173-Y205 HydrophobicContact CE2-CD1 3.96Å; F173-Y205 AromaticContact CE2-CE1 3.85Å; F173-Y205 HydrophobicContact CE2-CE1 3.85Å; F173-Y205 HydrophobicContact CZ-CE1 4.47Å; Y205-V224 CarbonylContact C-O 3.38Å; Y205-V224 PolarHBondContact N-O 2.99Å; Y205-V224 CarbonylContact O-C 3.56Å; Y205-V224 WeakPolarHBondContact O-CA 3.33Å; Y205-V224 PolarHBondContact O-N 3.15Å; Y205-F231 HydrophobicContact CD2-CD1 4.2Å; Y205-F231 AromaticContact CD2-CE1 3.78Å; Y205-F231 HydrophobicContact CD2-CE1 3.78Å; Y205-F231 AromaticContact CE2-CE1 3.65Å; Y205-F231 HydrophobicContact CE2-CE1 3.65Å; Y205-F231 HydrophobicContact CE2-CZ 4.37Å; Y205-L244 HydrophobicContact CD1-CD1 4.02Å; Y205-L244 HydrophobicContact CD1-CD2 4.47Å; Y205-L244 HydrophobicContact CD2-CD1 4.2Å; Y205-L244 HydrophobicContact CD2-CD2 3.84Å; Y205-L244 HydrophobicContact CE1-CD1 3.76Å; Y205-L244 HydrophobicContact CE2-CD1 3.97Å; Y205-L244 HydrophobicContact CE2-CD2 4.32Å; Y205-L244 HydrophobicContact CG-CD1 4.23Å; Y205-L244 HydrophobicContact CG-CD2 3.93Å
206A94.6Very high88.6Confident7 Ų770.7 Ų70.76%0.05836%0.356CS..EExtended strand (participates in β ladder)trans-141.9144.7172.700000109.5R197 Y222R197-A206 HydrophobicContact CG-CB 4.33Å; R197-A206 WeakPolarHBondContact CG-O 3.41Å; R197-A206 PolarHBondContact N-O 3Å; R197-A206 PolarHBondContact O-N 3.42Å; R197-A206 VanDerWaalsContact O-O 3.11Å; A206-Y222 CarbonylContact C-O 3.57Å; A206-Y222 VanDerWaalsContact CA-O 3.28Å; A206-Y222 WeakPolarHBondContact CA-O 3.42Å
207L94.9Very high88.2Confident1 Ų175.5 Ų75.51%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-112.8124.2177.7-175.1147.2000108.8I194 L196 L209 N221 Y222 V247 F251I194-L207 HydrophobicContact CG2-CD1 3.86Å; I194-L207 HydrophobicContact CG2-CD2 4Å; I194-L207 HydrophobicContact CG2-CG 3.87Å; L196-L207 HydrophobicContact CD1-CB 4.11Å; L196-L207 HydrophobicContact CD1-CD1 4.39Å; L207-L209 HydrophobicContact CD2-CB 4.06Å; L207-L209 HydrophobicContact CD2-CD2 4.02Å; L207-L209 HydrophobicContact CD2-CG 4.44Å; L207-N221 CarbonylContact O-C 3.58Å; L207-N221 WeakPolarHBondContact O-CA 3.41Å; L207-Y222 HydrophobicContact CD2-CD2 4.1Å; L207-Y222 PolarHBondContact N-O 2.87Å; L207-Y222 PolarHBondContact O-N 2.83Å; L207-V247 HydrophobicContact CD1-CG1 4.14Å; L207-F251 HydrophobicContact CD1-CD2 3.5Å; L207-F251 HydrophobicContact CD1-CE2 3.81Å; L207-F251 HydrophobicContact CD1-CG 4.18Å; L207-F251 HydrophobicContact CD2-CD1 4.34Å; L207-F251 HydrophobicContact CD2-CD2 4.13Å; L207-F251 HydrophobicContact CD2-CE1 4.34Å; L207-F251 HydrophobicContact CD2-CE2 4.15Å; L207-F251 HydrophobicContact CD2-CG 4.24Å; L207-F251 HydrophobicContact CD2-CZ 4.26Å; L207-F251 HydrophobicContact CG-CD2 4.41Å; L207-F251 HydrophobicContact CG-CE2 4.42Å
208T95.3Very high88.1Confident0 Ų077.8 Ų77.80%039%0.393CS..EExtended strand (participates in β ladder)trans-107.7125.6176.2-47.10000107.4A181 E182 L185 I195 R197 K220 N221A181-T208 HydrophobicContact CB-CG2 4.24Å; E182-T208 HydrophobicContact CG-CG2 3.87Å; L185-T208 HydrophobicContact CD1-CG2 3.93Å; I195-T208 PolarHBondContact N-O 3.41Å; I195-T208 PolarHBondContact O-N 3.1Å; R197-T208 PolarHBondContact NE-OG1 3.33Å; T208-K220 WeakPolarHBondContact CA-O 3.39Å; T208-N221 PolarHBondContact OG1-OD1 3.38Å
209L94.2Very high88Confident3 Ų378.9 Ų78.92%0.01640%0.397CS..EExtended strand (participates in β ladder)trans-125.6145.7177.671.780.8000112D193 I194 L207 Q211 L219 K220 Y222 F251 L259D193-L209 CarbonylContact O-C 3.49Å; D193-L209 VanDerWaalsContact O-CA 3.23Å; D193-L209 WeakPolarHBondContact O-CA 3.45Å; I194-L209 HydrophobicContact CG1-CB 4.14Å; L207-L209 HydrophobicContact CD2-CB 4.06Å; L207-L209 HydrophobicContact CD2-CD2 4.02Å; L207-L209 HydrophobicContact CD2-CG 4.44Å; L209-Q211 HydrophobicContact CD1-CB 3.91Å; L209-L219 CarbonylContact O-C 3.54Å; L209-L219 WeakPolarHBondContact O-CA 3.44Å; L209-K220 HydrophobicContact CD1-CB 3.81Å; L209-K220 HydrophobicContact CD1-CD 4.16Å; L209-K220 HydrophobicContact CD1-CG 4.15Å; L209-K220 HydrophobicContact CG-CB 3.94Å; L209-K220 PolarHBondContact N-O 3.48Å; L209-K220 PolarHBondContact O-N 3.21Å; L209-Y222 HydrophobicContact CD2-CD2 3.86Å; L209-Y222 HydrophobicContact CD2-CE2 3.29Å; L209-Y222 HydrophobicContact CG-CD2 4.3Å; L209-Y222 HydrophobicContact CG-CE2 3.78Å; L209-F251 HydrophobicContact CD2-CD1 3.89Å; L209-F251 HydrophobicContact CD2-CE1 4.1Å; L209-L259 HydrophobicContact CB-CD1 4.31Å; L209-L259 HydrophobicContact CD1-CD1 4.15Å; L209-L259 HydrophobicContact CD2-CD1 4.22Å; L209-L259 HydrophobicContact CG-CD1 4.49Å
210R93.6Very high88.2Confident25 Ų2581 Ų819%0.09440%0.402CS..EExtended strand (participates in β ladder)trans-108.4116.9171.7178.9179166-163.7-4.7108.5L185 P189 D193 H217 L219L185-R210 HydrophobicContact CB-CB 4.08Å; L185-R210 HydrophobicContact CD1-CB 4.28Å; L185-R210 WeakPolarHBondContact O-CD 3.42Å; L185-R210 PolarHBondContact O-NH1 3.32Å; P189-R210 VanDerWaalsContact CA-NH1 3.34Å; P189-R210 VanDerWaalsContact CB-NH1 3.25Å; D193-R210 PolarHBondContact O-N 3.09Å; R210-H217 HydrophobicContact CG-CB 4.41Å; R210-H217 PolarHBondContact NH2-CD2 3.1Å; R210-H217 PolarHBondContact NH2-CE1 2.75Å; R210-H217 PolarHBondContact NH2-NE2 2.86Å; R210-H217 VanDerWaalsContact NH2-NE2 3.17Å; R210-L219 HydrophobicContact CB-CD2 3.76Å; R210-L219 HydrophobicContact CG-CD2 4.16Å
211Q90.3Very high88.6Confident60 Ų6076.4 Ų76.428%0.2837%0.372SS..EExtended strand (participates in β ladder)trans-113.1129.9179.9-170.5174.94.200110.1L209 I213 H217 V218L209-Q211 HydrophobicContact CD1-CB 3.91Å; Q211-I213 HydrophobicContact CG-CG1 4.48Å; Q211-H217 WeakPolarHBondContact O-CA 3.44Å; Q211-V218 PolarHBondContact N-O 3.42Å; Q211-V218 PolarHBondContact O-N 2.96Å
212K86.2Confident89.2Confident164 Ų16474.1 Ų74.171%0.71336%0.359SS*.EExtended strand (participates in β ladder)trans-78.5129.1170.8-169.5175.5-177.8179.20109.9
213I86.8Confident90Very high74 Ų7473.8 Ų73.838%0.37934%0.343SS..EExtended strand (participates in β ladder)trans-128.2161.4177.6-51.4-176.2000107.4Q211 R215 G216 V218Q211-I213 HydrophobicContact CG-CG1 4.48Å; I213-R215 PolarHBondContact O-N 3.07Å; I213-G216 PolarHBondContact N-O 2.73Å; I213-G216 CarbonylContact O-C 3.55Å; I213-G216 PolarHBondContact O-N 3.42Å; I213-V218 HydrophobicContact CD1-CB 3.83Å; I213-V218 HydrophobicContact CD1-CG2 3.5Å; I213-V218 HydrophobicContact CG1-CG2 4.3Å
214D81.4Confident90.6Very high174 Ų17465 Ų6593%0.9331%0.305SS*.THydrogen-bonded Turntrans-55.8-27.8-178.3-56.7-34.1000113.9
215R80.9Confident90.7Very high251 Ų25164.8 Ų64.895%0.94731%0.305SS*.THydrogen-bonded Turntrans-89.85.1177.1-67.1-177.4-179.2-104.61.1114.4I213I213-R215 PolarHBondContact O-N 3.07Å
216G83.8Confident90.5Very high32 Ų3265 Ų6533%0.3331%0.314SS..EExtended strand (participates in β ladder)trans131.5-131.5178.600000113.8I213I213-G216 PolarHBondContact N-O 2.73Å; I213-G216 CarbonylContact O-C 3.55Å; I213-G216 PolarHBondContact O-N 3.42Å
217H86.3Confident90.2Very high104 Ų10468 Ų6848%0.48133%0.331SS..EExtended strand (participates in β ladder)trans-122.6140.2178-59-73.7000110.4R210 Q211R210-H217 HydrophobicContact CG-CB 4.41Å; R210-H217 PolarHBondContact NH2-CD2 3.1Å; R210-H217 PolarHBondContact NH2-CE1 2.75Å; R210-H217 PolarHBondContact NH2-NE2 2.86Å; R210-H217 VanDerWaalsContact NH2-NE2 3.17Å; Q211-H217 WeakPolarHBondContact O-CA 3.44Å
218V91.2Very high89.7Confident61 Ų6174.2 Ų74.237%0.3738%0.375SS..EExtended strand (participates in β ladder)trans-121.4129.5174.9175.70000109Q211 I213 K220Q211-V218 PolarHBondContact N-O 3.42Å; Q211-V218 PolarHBondContact O-N 2.96Å; I213-V218 HydrophobicContact CD1-CB 3.83Å; I213-V218 HydrophobicContact CD1-CG2 3.5Å; I213-V218 HydrophobicContact CG1-CG2 4.3Å; V218-K220 HydrophobicContact CG1-CG 4.09Å
219L92.8Very high89Confident62 Ų6278 Ų7833%0.32541%0.406SS..EExtended strand (participates in β ladder)trans-90.5127.6171.4-68.4163.1000108.9E182 L185 L209 R210E182-L219 HydrophobicContact CB-CD1 3.92Å; E182-L219 HydrophobicContact CG-CD1 4.05Å; L185-L219 HydrophobicContact CB-CD2 4.21Å; L185-L219 HydrophobicContact CD1-CD2 4.34Å; L209-L219 CarbonylContact O-C 3.54Å; L209-L219 WeakPolarHBondContact O-CA 3.44Å; R210-L219 HydrophobicContact CB-CD2 3.76Å; R210-L219 HydrophobicContact CG-CD2 4.16Å
220K92.7Very high88.7Confident71 Ų7178.3 Ų78.331%0.30941%0.41SS..EExtended strand (participates in β ladder)trans-120.7139.9176-60.9-176.2-178.1164.50109.5T208 L209 V218 Y222T208-K220 WeakPolarHBondContact CA-O 3.39Å; L209-K220 HydrophobicContact CD1-CB 3.81Å; L209-K220 HydrophobicContact CD1-CD 4.16Å; L209-K220 HydrophobicContact CD1-CG 4.15Å; L209-K220 HydrophobicContact CG-CB 3.94Å; L209-K220 PolarHBondContact N-O 3.48Å; L209-K220 PolarHBondContact O-N 3.21Å; V218-K220 HydrophobicContact CG1-CG 4.09Å; K220-Y222 HydrophobicContact CB-CD2 4.38Å; K220-Y222 HydrophobicContact CB-CE2 3.54Å; K220-Y222 HydrophobicContact CD-CE2 4.3Å; K220-Y222 VanDerWaalsContact CD-OH 3.25Å; K220-Y222 WeakPolarHBondContact CD-OH 3.24Å
221N93.8Very high88.5Confident46 Ų4678.6 Ų78.625%0.24641%0.412CS..EExtended strand (participates in β ladder)trans-119.6127.9178.3-72.7-96.5000108.8R178 E182 R197 L207 T208R178-N221 PolarHBondContact NE-ND2 3.42Å; E182-N221 PolarHBondContact OE1-ND2 3.21Å; R197-N221 PolarHBondContact NH2-OD1 3.21Å; L207-N221 CarbonylContact O-C 3.58Å; L207-N221 WeakPolarHBondContact O-CA 3.41Å; T208-N221 PolarHBondContact OG1-OD1 3.38Å
222Y93.5Very high88.6Confident53 Ų5377 Ų7721%0.20841%0.407CS..EExtended strand (participates in β ladder)trans-117.4137.6-179.9-63.9-84.9000109.5A206 L207 L209 K220 L235 F251A206-Y222 CarbonylContact C-O 3.57Å; A206-Y222 VanDerWaalsContact CA-O 3.28Å; A206-Y222 WeakPolarHBondContact CA-O 3.42Å; L207-Y222 HydrophobicContact CD2-CD2 4.1Å; L207-Y222 PolarHBondContact N-O 2.87Å; L207-Y222 PolarHBondContact O-N 2.83Å; L209-Y222 HydrophobicContact CD2-CD2 3.86Å; L209-Y222 HydrophobicContact CD2-CE2 3.29Å; L209-Y222 HydrophobicContact CG-CD2 4.3Å; L209-Y222 HydrophobicContact CG-CE2 3.78Å; K220-Y222 HydrophobicContact CB-CD2 4.38Å; K220-Y222 HydrophobicContact CB-CE2 3.54Å; K220-Y222 HydrophobicContact CD-CE2 4.3Å; K220-Y222 VanDerWaalsContact CD-OH 3.25Å; K220-Y222 WeakPolarHBondContact CD-OH 3.24Å; Y222-L235 HydrophobicContact CD1-CD2 3.32Å; Y222-L235 HydrophobicContact CE1-CD2 3.38Å; Y222-L235 HydrophobicContact CG-CD2 4.44Å; Y222-F251 HydrophobicContact CD1-CE1 4.13Å; Y222-F251 AromaticContact CD1-CZ 3.98Å; Y222-F251 HydrophobicContact CD1-CZ 3.98Å; Y222-F251 AromaticContact CD2-CE1 3.71Å; Y222-F251 HydrophobicContact CD2-CE1 3.71Å; Y222-F251 AromaticContact CD2-CZ 3.86Å; Y222-F251 HydrophobicContact CD2-CZ 3.86Å; Y222-F251 HydrophobicContact CE1-CE1 4.18Å; Y222-F251 HydrophobicContact CE1-CZ 4.47Å; Y222-F251 AromaticContact CE2-CE1 3.82Å; Y222-F251 HydrophobicContact CE2-CE1 3.82Å; Y222-F251 HydrophobicContact CE2-CZ 4.41Å; Y222-F251 AromaticContact CG-CE1 3.86Å; Y222-F251 HydrophobicContact CG-CE1 3.86Å; Y222-F251 AromaticContact CG-CZ 3.6Å; Y222-F251 HydrophobicContact CG-CZ 3.6Å
223R93Very high89Confident100 Ų10069.2 Ų69.238%0.37737%0.373SS..EExtended strand (participates in β ladder)trans-92.3136.6177.5-179.9162168.1-138.39.8109.8T225 E234R223-T225 HydrophobicContact CG-CG2 4.29Å; R223-E234 HydrophobicContact CB-CB 4.12Å; R223-E234 HydrophobicContact CB-CG 4.28Å; R223-E234 WeakPolarHBondContact CB-OE2 3.2Å; R223-E234 WeakPolarHBondContact CD-OE2 3.49Å; R223-E234 HydrophobicContact CG-CG 4.31Å; R223-E234 WeakPolarHBondContact CG-OE2 3.22Å; R223-E234 IonicContact CZ-OE1 2.86Å; R223-E234 VanDerWaalsContact CZ-OE1 3.24Å; R223-E234 IonicContact CZ-OE2 3.67Å; R223-E234 IonicContact NE-OE1 3.85Å; R223-E234 PolarHBondContact NE-OE1 3.42Å; R223-E234 IonicContact NE-OE2 2.69Å; R223-E234 IonicContact NH1-OE1 3.88Å; R223-E234 PolarHBondContact NH1-OE1 3.49Å; R223-E234 VanDerWaalsContact NH1-OE1 3.11Å; R223-E234 IonicContact NH1-OE2 3.03Å; R223-E234 PolarHBondContact NH1-OE2 3.28Å; R223-E234 VanDerWaalsContact NH1-OE2 3.1Å; R223-E234 IonicContact NH2-OE1 2.71Å; R223-E234 PolarHBondContact O-N 2.86Å
224V93.6Very high89.1Confident0 Ų069.3 Ų69.30%037%0.372CS..EExtended strand (participates in β ladder)trans-125.8108.6-178.7-179.20000107.7Y205 F231 V232 L244 V247Y205-V224 CarbonylContact C-O 3.38Å; Y205-V224 PolarHBondContact N-O 2.99Å; Y205-V224 CarbonylContact O-C 3.56Å; Y205-V224 WeakPolarHBondContact O-CA 3.33Å; Y205-V224 PolarHBondContact O-N 3.15Å; V224-F231 HydrophobicContact CG1-CB 3.95Å; V224-F231 HydrophobicContact CG1-CD1 4.25Å; V224-F231 HydrophobicContact CG1-CG 4.45Å; V224-V232 CarbonylContact C-O 3.57Å; V224-V232 WeakPolarHBondContact CA-O 3.4Å; V224-L244 HydrophobicContact CG1-CD2 4.29Å; V224-V247 HydrophobicContact CG1-CG1 4.49Å; V224-V247 HydrophobicContact CG1-CG2 3.95Å; V224-V247 HydrophobicContact CG2-CG1 3.97Å
225T91.6Very high89.5Confident23 Ų2363 Ų6314%0.14134%0.338CS..EExtended strand (participates in β ladder)trans-95.6131.3-177.343.40000111.4N204 R223 F231 V232 E234N204-T225 VanDerWaalsContact OD1-CA 3.31Å; N204-T225 WeakPolarHBondContact OD1-CA 3.21Å; R223-T225 HydrophobicContact CG-CG2 4.29Å; T225-F231 CarbonylContact O-C 3.57Å; T225-F231 WeakPolarHBondContact O-CA 3.3Å; T225-V232 PolarHBondContact N-O 3.4Å; T225-V232 PolarHBondContact O-N 3.42Å; T225-V232 PolarHBondContact OG1-O 2.97Å; T225-E234 WeakPolarHBondContact CG2-OE1 3.47Å
226S90.6Very high89.6Confident54 Ų5460.6 Ų60.638%0.37834%0.337SS..EExtended strand (participates in β ladder)trans-81.8125175.3-167.60000109.3K203 N204K203-S226 WeakPolarHBondContact O-CB 3.27Å; N204-S226 PolarHBondContact OD1-N 3.46Å
227T87.7Confident89.7Confident70 Ų7064.4 Ų64.443%0.42935%0.354SS..EExtended strand (participates in β ladder)trans-121.8165.4179.1-53.80000109.4A229 G230T227-A229 PolarHBondContact O-N 3.44Å; T227-G230 CarbonylContact C-O 3.56Å; T227-G230 WeakPolarHBondContact CA-O 3.44Å; T227-G230 PolarHBondContact N-O 2.88Å; T227-G230 PolarHBondContact O-N 3.38Å
228S83.8Confident89.8Confident132 Ų13263.8 Ų63.892%0.92336%0.36SS*.THydrogen-bonded Turntrans-59-26.8176.853.80000114.2
229A81Confident89.7Confident78 Ų7863.9 Ų63.965%0.64536%0.357SS*.THydrogen-bonded Turntrans-97.10.8-179.100000114.3T227T227-A229 PolarHBondContact O-N 3.44Å
230G87.7Confident89.6Confident11 Ų1165.3 Ų65.311%0.11337%0.368CS..EExtended strand (participates in β ladder)trans138.5-142.2-17700000113.3T227 V241T227-G230 CarbonylContact C-O 3.56Å; T227-G230 WeakPolarHBondContact CA-O 3.44Å; T227-G230 PolarHBondContact N-O 2.88Å; T227-G230 PolarHBondContact O-N 3.38Å; G230-V241 CarbonylContact C-O 3.52Å; G230-V241 WeakPolarHBondContact CA-O 3.22Å
231F90.6Very high89.5Confident30 Ų3062.9 Ų62.913%0.13236%0.359CS..EExtended strand (participates in β ladder)trans-118.6136.5-178.4-60.6-80.8000111.2Y205 V224 T225 T240 V241 L244 V247Y205-F231 HydrophobicContact CD2-CD1 4.2Å; Y205-F231 AromaticContact CD2-CE1 3.78Å; Y205-F231 HydrophobicContact CD2-CE1 3.78Å; Y205-F231 AromaticContact CE2-CE1 3.65Å; Y205-F231 HydrophobicContact CE2-CE1 3.65Å; Y205-F231 HydrophobicContact CE2-CZ 4.37Å; V224-F231 HydrophobicContact CG1-CB 3.95Å; V224-F231 HydrophobicContact CG1-CD1 4.25Å; V224-F231 HydrophobicContact CG1-CG 4.45Å; T225-F231 CarbonylContact O-C 3.57Å; T225-F231 WeakPolarHBondContact O-CA 3.3Å; F231-T240 CarbonylContact O-C 3.56Å; F231-T240 WeakPolarHBondContact O-CA 3.34Å; F231-V241 HydrophobicContact CB-CG2 4.01Å; F231-V241 PolarHBondContact N-O 2.84Å; F231-V241 PolarHBondContact O-N 3.27Å; F231-L244 HydrophobicContact CD1-CD2 3.67Å; F231-L244 HydrophobicContact CD1-CG 4.37Å; F231-L244 HydrophobicContact CD2-CD2 4.18Å; F231-L244 HydrophobicContact CD2-CG 4.29Å; F231-L244 HydrophobicContact CE1-CD2 3.69Å; F231-L244 HydrophobicContact CE1-CG 3.98Å; F231-L244 HydrophobicContact CE2-CD2 4.19Å; F231-L244 HydrophobicContact CE2-CG 3.89Å; F231-L244 HydrophobicContact CG-CD2 3.93Å; F231-L244 HydrophobicContact CZ-CD1 4.31Å; F231-L244 HydrophobicContact CZ-CD2 3.95Å; F231-L244 HydrophobicContact CZ-CG 3.72Å; F231-V247 HydrophobicContact CB-CG2 4.04Å
232V92.6Very high89.3Confident28 Ų2871.2 Ų71.217%0.1739%0.387CS..EExtended strand (participates in β ladder)trans-110.3122.5176.5-177.40000109.3V224 T225 P238 M239 T240V224-V232 CarbonylContact C-O 3.57Å; V224-V232 WeakPolarHBondContact CA-O 3.4Å; T225-V232 PolarHBondContact N-O 3.4Å; T225-V232 PolarHBondContact O-N 3.42Å; T225-V232 PolarHBondContact OG1-O 2.97Å; V232-P238 HydrophobicContact CG1-CB 4.29Å; V232-M239 CarbonylContact C-O 3.53Å; V232-M239 WeakPolarHBondContact CA-O 3.37Å; V232-T240 HydrophobicContact CG2-CG2 4.18Å
233I93.4Very high89.2Confident0 Ų069.8 Ų69.80%039%0.385CS..EExtended strand (participates in β ladder)trans-86.9115175.1-45.8175000107.5L235 M239 V241 V247 Y250 F251I233-L235 HydrophobicContact CB-CD1 4.38Å; I233-L235 HydrophobicContact CB-CG 4.4Å; I233-L235 HydrophobicContact CG2-CD1 3.96Å; I233-L235 HydrophobicContact CG2-CD2 4.15Å; I233-L235 HydrophobicContact CG2-CG 3.78Å; I233-L235 PolarHBondContact O-N 2.78Å; I233-M239 PolarHBondContact N-O 3.47Å; I233-M239 PolarHBondContact O-N 3.42Å; I233-V241 HydrophobicContact CD1-CG1 4.49Å; I233-V247 HydrophobicContact CD1-CB 4.36Å; I233-V247 HydrophobicContact CD1-CG1 3.93Å; I233-V247 HydrophobicContact CD1-CG2 4.34Å; I233-V247 HydrophobicContact CG1-CG1 4.14Å; I233-V247 HydrophobicContact CG1-CG2 4.23Å; I233-Y250 HydrophobicContact CD1-CD1 3.58Å; I233-Y250 HydrophobicContact CD1-CE1 4.19Å; I233-Y250 HydrophobicContact CD1-CG 3.98Å; I233-F251 HydrophobicContact CD1-CE2 4.17Å; I233-F251 HydrophobicContact CG2-CE2 3.8Å; I233-F251 HydrophobicContact CG2-CZ 3.78Å
234E90Very high89Confident76 Ų7665.5 Ų65.536%0.35537%0.37SS..EExtended strand (participates in β ladder)trans-75.492.8178.3-66-177.6-16800109.6R223 T225R223-E234 HydrophobicContact CB-CB 4.12Å; R223-E234 HydrophobicContact CB-CG 4.28Å; R223-E234 WeakPolarHBondContact CB-OE2 3.2Å; R223-E234 WeakPolarHBondContact CD-OE2 3.49Å; R223-E234 HydrophobicContact CG-CG 4.31Å; R223-E234 WeakPolarHBondContact CG-OE2 3.22Å; R223-E234 IonicContact CZ-OE1 2.86Å; R223-E234 VanDerWaalsContact CZ-OE1 3.24Å; R223-E234 IonicContact CZ-OE2 3.67Å; R223-E234 IonicContact NE-OE1 3.85Å; R223-E234 PolarHBondContact NE-OE1 3.42Å; R223-E234 IonicContact NE-OE2 2.69Å; R223-E234 IonicContact NH1-OE1 3.88Å; R223-E234 PolarHBondContact NH1-OE1 3.49Å; R223-E234 VanDerWaalsContact NH1-OE1 3.11Å; R223-E234 IonicContact NH1-OE2 3.03Å; R223-E234 PolarHBondContact NH1-OE2 3.28Å; R223-E234 VanDerWaalsContact NH1-OE2 3.1Å; R223-E234 IonicContact NH2-OE1 2.71Å; R223-E234 PolarHBondContact O-N 2.86Å; T225-E234 WeakPolarHBondContact CG2-OE1 3.47Å
235L89.3Confident88.9Confident41 Ų4167.9 Ų67.922%0.21538%0.382CS..SBendtrans-118.9175.8173.8-58.6169.2000109.1Y222 I233 T237 Y250 F251Y222-L235 HydrophobicContact CD1-CD2 3.32Å; Y222-L235 HydrophobicContact CE1-CD2 3.38Å; Y222-L235 HydrophobicContact CG-CD2 4.44Å; I233-L235 HydrophobicContact CB-CD1 4.38Å; I233-L235 HydrophobicContact CB-CG 4.4Å; I233-L235 HydrophobicContact CG2-CD1 3.96Å; I233-L235 HydrophobicContact CG2-CD2 4.15Å; I233-L235 HydrophobicContact CG2-CG 3.78Å; I233-L235 PolarHBondContact O-N 2.78Å; L235-T237 WeakPolarHBondContact CB-O 3.43Å; L235-T237 PolarHBondContact O-N 2.71Å; L235-Y250 HydrophobicContact CD1-CE1 3.58Å; L235-Y250 WeakPolarHBondContact CD1-OH 3.28Å; L235-F251 HydrophobicContact CD2-CZ 4.42Å
236E83.4Confident88.8Confident200 Ų20069.5 Ų69.594%0.93539%0.39SS*.SBendtrans-55.2-36169.9-175.2174.3-170.900111.7
237T85.8Confident88.9Confident113 Ų11366.9 Ų66.969%0.69337%0.372SS*.SBendtrans-112.8102.5165.8-530000109L235 M239L235-T237 WeakPolarHBondContact CB-O 3.43Å; L235-T237 PolarHBondContact O-N 2.71Å; T237-M239 PolarHBondContact O-N 2.83Å
238P88.2Confident89.1Confident91 Ų9164.5 Ų64.559%0.59136%0.356SS*.  trans-57.6136.1-178-24.833.6000111.9V232V232-P238 HydrophobicContact CG1-CB 4.29Å
239M88.6Confident89.5Confident63 Ų6363.3 Ų63.331%0.3134%0.335SS..EExtended strand (participates in β ladder)trans-122.6130.3178.9179.1176-72.800111.3V232 I233 T237 V241 Y250V232-M239 CarbonylContact C-O 3.53Å; V232-M239 WeakPolarHBondContact CA-O 3.37Å; I233-M239 PolarHBondContact N-O 3.47Å; I233-M239 PolarHBondContact O-N 3.42Å; T237-M239 PolarHBondContact O-N 2.83Å; M239-V241 HydrophobicContact CG-CG1 4.11Å; M239-V241 HydrophobicContact SD-CG1 4.12Å; M239-Y250 HydrophobicContact CE-CD2 3.57Å; M239-Y250 HydrophobicContact CE-CE2 3.12Å; M239-Y250 HydrophobicContact SD-CD2 3.12Å; M239-Y250 WeakPolarHBondContact SD-CD2 3.49Å; M239-Y250 HydrophobicContact SD-CE2 3.27Å; M239-Y250 WeakPolarHBondContact SD-CE2 3.36Å; M239-Y250 HydrophobicContact SD-CG 3.78Å
240T90.6Very high90Very high92 Ų9261.5 Ų61.556%0.56431%0.311SS*.EExtended strand (participates in β ladder)trans-99.7128.5175.2-49.10000110.7F231 V232F231-T240 CarbonylContact O-C 3.56Å; F231-T240 WeakPolarHBondContact O-CA 3.34Å; V232-T240 HydrophobicContact CG2-CG2 4.18Å
241V91.1Very high90.2Very high20 Ų2061.3 Ų61.312%0.12131%0.307CS..EExtended strand (participates in β ladder)trans-129162.1177.3-61.60000110.8G230 F231 I233 M239 D246 V247G230-V241 CarbonylContact C-O 3.52Å; G230-V241 WeakPolarHBondContact CA-O 3.22Å; F231-V241 HydrophobicContact CB-CG2 4.01Å; F231-V241 PolarHBondContact N-O 2.84Å; F231-V241 PolarHBondContact O-N 3.27Å; I233-V241 HydrophobicContact CD1-CG1 4.49Å; M239-V241 HydrophobicContact CG-CG1 4.11Å; M239-V241 HydrophobicContact SD-CG1 4.12Å; V241-D246 HydrophobicContact CB-CB 3.76Å; V241-D246 HydrophobicContact CG1-CB 4.31Å; V241-D246 HydrophobicContact CG2-CB 4.19Å; V241-V247 HydrophobicContact CG2-CB 4.34Å; V241-V247 HydrophobicContact CG2-CG2 3.35Å
242R89Confident90.2Very high221 Ų22161.1 Ų61.183%0.83431%0.307SS*.SBendtrans-87.5-31-171.3-63.6-176179.7139.9-0.5113.3
243S90.8Very high90.2Very high23 Ų2364.2 Ų64.216%0.16132%0.32CS..SBendtrans-135.2164.4-177.2690000112.9N245 D246 V247S243-N245 VanDerWaalsContact C-N 3.27Å; S243-D246 PolarHBondContact N-OD2 2.71Å; S243-D246 WeakPolarHBondContact O-CB 3.38Å; S243-D246 PolarHBondContact O-N 2.69Å; S243-D246 PolarHBondContact OG-N 2.86Å; S243-D246 PolarHBondContact OG-OD2 2.83Å; S243-V247 PolarHBondContact O-N 2.84Å; S243-V247 VanDerWaalsContact O-N 3.15Å
244L89.8Confident90Very high10 Ų1070.9 Ų70.95%0.05235%0.349CS..Hα-helixtrans-67.9-29171.5-68.6175.2000112.1M169 P170 L196 Y205 V224 F231 D246 V247 L248M169-L244 HydrophobicContact CE-CD1 4.45Å; M169-L244 HydrophobicContact SD-CD1 3.71Å; P170-L244 HydrophobicContact CG-CB 4.05Å; L196-L244 HydrophobicContact CD2-CB 3.95Å; L196-L244 HydrophobicContact CD2-CD1 4.05Å; L196-L244 HydrophobicContact CD2-CD2 4.11Å; L196-L244 HydrophobicContact CD2-CG 4.24Å; Y205-L244 HydrophobicContact CD1-CD1 4.02Å; Y205-L244 HydrophobicContact CD1-CD2 4.47Å; Y205-L244 HydrophobicContact CD2-CD1 4.2Å; Y205-L244 HydrophobicContact CD2-CD2 3.84Å; Y205-L244 HydrophobicContact CE1-CD1 3.76Å; Y205-L244 HydrophobicContact CE2-CD1 3.97Å; Y205-L244 HydrophobicContact CE2-CD2 4.32Å; Y205-L244 HydrophobicContact CG-CD1 4.23Å; Y205-L244 HydrophobicContact CG-CD2 3.93Å; V224-L244 HydrophobicContact CG1-CD2 4.29Å; F231-L244 HydrophobicContact CD1-CD2 3.67Å; F231-L244 HydrophobicContact CD1-CG 4.37Å; F231-L244 HydrophobicContact CD2-CD2 4.18Å; F231-L244 HydrophobicContact CD2-CG 4.29Å; F231-L244 HydrophobicContact CE1-CD2 3.69Å; F231-L244 HydrophobicContact CE1-CG 3.98Å; F231-L244 HydrophobicContact CE2-CD2 4.19Å; F231-L244 HydrophobicContact CE2-CG 3.89Å; F231-L244 HydrophobicContact CG-CD2 3.93Å; F231-L244 HydrophobicContact CZ-CD1 4.31Å; F231-L244 HydrophobicContact CZ-CD2 3.95Å; F231-L244 HydrophobicContact CZ-CG 3.72Å; L244-D246 VanDerWaalsContact C-N 3.31Å; L244-V247 HydrophobicContact CD2-CG2 4.39Å; L244-V247 WeakPolarHBondContact O-CB 3.38Å; L244-V247 PolarHBondContact O-N 3.17Å; L244-L248 PolarHBondContact O-N 3.02Å; L244-L248 VanDerWaalsContact O-N 3.07Å
245N90.9Very high89.9Confident49 Ų4968.6 Ų68.626%0.26234%0.34SS..Hα-helixtrans-62.5-38.8169.3-77.9-50.8000111.7D168 P170 S243 V247 L248 K249D168-N245 PolarHBondContact O-ND2 2.81Å; D168-N245 PolarHBondContact OD1-ND2 3.12Å; D168-N245 PolarHBondContact OD2-ND2 3.47Å; P170-N245 WeakPolarHBondContact CA-OD1 3.29Å; P170-N245 WeakPolarHBondContact CB-OD1 3.47Å; S243-N245 VanDerWaalsContact C-N 3.27Å; N245-V247 VanDerWaalsContact C-N 3.32Å; N245-V247 PolarHBondContact O-N 3.25Å; N245-L248 WeakPolarHBondContact O-CB 3.36Å; N245-L248 PolarHBondContact O-N 2.93Å; N245-K249 WeakPolarHBondContact O-CB 2.94Å; N245-K249 PolarHBondContact O-N 2.81Å
246D90.9Very high89.8Confident57 Ų5774.2 Ų74.231%0.30537%0.366SS..Hα-helixtrans-67.8-33.1174.9-63.1-43.2000112.1V241 S243 L244 K249 Y250V241-D246 HydrophobicContact CB-CB 3.76Å; V241-D246 HydrophobicContact CG1-CB 4.31Å; V241-D246 HydrophobicContact CG2-CB 4.19Å; S243-D246 PolarHBondContact N-OD2 2.71Å; S243-D246 WeakPolarHBondContact O-CB 3.38Å; S243-D246 PolarHBondContact O-N 2.69Å; S243-D246 PolarHBondContact OG-N 2.86Å; S243-D246 PolarHBondContact OG-OD2 2.83Å; L244-D246 VanDerWaalsContact C-N 3.31Å; D246-K249 PolarHBondContact O-N 3.44Å; D246-Y250 WeakPolarHBondContact O-CB 3.24Å; D246-Y250 PolarHBondContact O-N 2.84Å
247V91.4Very high90Very high0 Ų071.5 Ų71.50%035%0.348CS..Hα-helixtrans-59.4-49.9170.7177.60000109.7L207 V224 F231 I233 V241 S243 L244 N245 K249 Y250 F251L207-V247 HydrophobicContact CD1-CG1 4.14Å; V224-V247 HydrophobicContact CG1-CG1 4.49Å; V224-V247 HydrophobicContact CG1-CG2 3.95Å; V224-V247 HydrophobicContact CG2-CG1 3.97Å; F231-V247 HydrophobicContact CB-CG2 4.04Å; I233-V247 HydrophobicContact CD1-CB 4.36Å; I233-V247 HydrophobicContact CD1-CG1 3.93Å; I233-V247 HydrophobicContact CD1-CG2 4.34Å; I233-V247 HydrophobicContact CG1-CG1 4.14Å; I233-V247 HydrophobicContact CG1-CG2 4.23Å; V241-V247 HydrophobicContact CG2-CB 4.34Å; V241-V247 HydrophobicContact CG2-CG2 3.35Å; S243-V247 PolarHBondContact O-N 2.84Å; S243-V247 VanDerWaalsContact O-N 3.15Å; L244-V247 HydrophobicContact CD2-CG2 4.39Å; L244-V247 WeakPolarHBondContact O-CB 3.38Å; L244-V247 PolarHBondContact O-N 3.17Å; N245-V247 VanDerWaalsContact C-N 3.32Å; N245-V247 PolarHBondContact O-N 3.25Å; V247-K249 PolarHBondContact O-N 2.95Å; V247-Y250 WeakPolarHBondContact O-CB 3.31Å; V247-Y250 PolarHBondContact O-N 3.17Å; V247-F251 HydrophobicContact CG1-CD2 4.22Å; V247-F251 HydrophobicContact CG1-CE2 4.08Å; V247-F251 VanDerWaalsContact O-CD2 3.32Å; V247-F251 WeakPolarHBondContact O-CD2 3.17Å; V247-F251 PolarHBondContact O-N 3.14Å
248L91.9Very high90.1Very high19 Ų1975.7 Ų75.710%0.09935%0.351CS..Hα-helixtrans-60.1-48.1178.1-179.362.7000111P170 I194 L244 N245 Y250 F251 L252 P261P170-L248 HydrophobicContact CB-CD2 4.06Å; I194-L248 HydrophobicContact CB-CD1 4.45Å; I194-L248 HydrophobicContact CD1-CD1 4.35Å; I194-L248 HydrophobicContact CG2-CD1 3.83Å; L244-L248 PolarHBondContact O-N 3.02Å; L244-L248 VanDerWaalsContact O-N 3.07Å; N245-L248 WeakPolarHBondContact O-CB 3.36Å; N245-L248 PolarHBondContact O-N 2.93Å; L248-Y250 VanDerWaalsContact C-N 3.29Å; L248-Y250 PolarHBondContact O-N 2.93Å; L248-F251 PolarHBondContact O-N 3.4Å; L248-F251 VanDerWaalsContact O-N 3.15Å; L248-L252 HydrophobicContact CD1-CG 4.47Å; L248-L252 HydrophobicContact CG-CD1 4.1Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CG 3.28Å; L248-L252 PolarHBondContact O-N 3.02Å; L248-P261 HydrophobicContact CD1-CG 4.31Å; L248-P261 HydrophobicContact CD2-CB 4.31Å; L248-P261 HydrophobicContact CD2-CG 4.05Å
249K91.5Very high90.1Very high108 Ų10871.9 Ų71.947%0.4733%0.326SS..Hα-helixtrans-55.8-43.1177.9-177.5175.9172.2179.50112N245 D246 V247 F251 L252 E253N245-K249 WeakPolarHBondContact O-CB 2.94Å; N245-K249 PolarHBondContact O-N 2.81Å; D246-K249 PolarHBondContact O-N 3.44Å; V247-K249 PolarHBondContact O-N 2.95Å; K249-F251 PolarHBondContact O-N 3.19Å; K249-L252 PolarHBondContact O-N 3.23Å; K249-E253 WeakPolarHBondContact CE-OE1 3.48Å; K249-E253 HydrophobicContact CG-CG 4.35Å; K249-E253 IonicContact NZ-OE1 2.96Å; K249-E253 WeakPolarHBondContact O-CB 3.48Å; K249-E253 WeakPolarHBondContact O-CG 3.43Å; K249-E253 PolarHBondContact O-N 3.2Å
250Y92.6Very high90.3Very high39 Ų3975.3 Ų75.315%0.15334%0.335CS..Hα-helixtrans-56.6-48.2176.2168.7-98.8000112.4I233 L235 M239 D246 V247 L248 E253 K254I233-Y250 HydrophobicContact CD1-CD1 3.58Å; I233-Y250 HydrophobicContact CD1-CE1 4.19Å; I233-Y250 HydrophobicContact CD1-CG 3.98Å; L235-Y250 HydrophobicContact CD1-CE1 3.58Å; L235-Y250 WeakPolarHBondContact CD1-OH 3.28Å; M239-Y250 HydrophobicContact CE-CD2 3.57Å; M239-Y250 HydrophobicContact CE-CE2 3.12Å; M239-Y250 HydrophobicContact SD-CD2 3.12Å; M239-Y250 WeakPolarHBondContact SD-CD2 3.49Å; M239-Y250 HydrophobicContact SD-CE2 3.27Å; M239-Y250 WeakPolarHBondContact SD-CE2 3.36Å; M239-Y250 HydrophobicContact SD-CG 3.78Å; D246-Y250 WeakPolarHBondContact O-CB 3.24Å; D246-Y250 PolarHBondContact O-N 2.84Å; V247-Y250 WeakPolarHBondContact O-CB 3.31Å; V247-Y250 PolarHBondContact O-N 3.17Å; L248-Y250 VanDerWaalsContact C-N 3.29Å; L248-Y250 PolarHBondContact O-N 2.93Å; Y250-E253 PolarHBondContact O-N 2.94Å; Y250-K254 HydrophobicContact CD2-CG 3.93Å; Y250-K254 HydrophobicContact CE1-CG 4.08Å; Y250-K254 HydrophobicContact CE2-CD 4.1Å; Y250-K254 VanDerWaalsContact CE2-CE 3.5Å; Y250-K254 HydrophobicContact CE2-CG 3.46Å; Y250-K254 VanDerWaalsContact CE2-CG 3.46Å; Y250-K254 HydrophobicContact CG-CG 4.47Å; Y250-K254 WeakPolarHBondContact O-CB 3.07Å; Y250-K254 WeakPolarHBondContact O-CG 3.42Å; Y250-K254 PolarHBondContact O-N 3.08Å
251F91.6Very high90.4Very high8 Ų872.6 Ų72.64%0.03532%0.319CS..Hα-helixtrans-68.4-35.7179.4-78.9-81.1000112.3I194 L207 L209 Y222 I233 L235 V247 L248 K249 T255I194-F251 HydrophobicContact CD1-CB 4.36Å; L207-F251 HydrophobicContact CD1-CD2 3.5Å; L207-F251 HydrophobicContact CD1-CE2 3.81Å; L207-F251 HydrophobicContact CD1-CG 4.18Å; L207-F251 HydrophobicContact CD2-CD1 4.34Å; L207-F251 HydrophobicContact CD2-CD2 4.13Å; L207-F251 HydrophobicContact CD2-CE1 4.34Å; L207-F251 HydrophobicContact CD2-CE2 4.15Å; L207-F251 HydrophobicContact CD2-CG 4.24Å; L207-F251 HydrophobicContact CD2-CZ 4.26Å; L207-F251 HydrophobicContact CG-CD2 4.41Å; L207-F251 HydrophobicContact CG-CE2 4.42Å; L209-F251 HydrophobicContact CD2-CD1 3.89Å; L209-F251 HydrophobicContact CD2-CE1 4.1Å; Y222-F251 HydrophobicContact CD1-CE1 4.13Å; Y222-F251 AromaticContact CD1-CZ 3.98Å; Y222-F251 HydrophobicContact CD1-CZ 3.98Å; Y222-F251 AromaticContact CD2-CE1 3.71Å; Y222-F251 HydrophobicContact CD2-CE1 3.71Å; Y222-F251 AromaticContact CD2-CZ 3.86Å; Y222-F251 HydrophobicContact CD2-CZ 3.86Å; Y222-F251 HydrophobicContact CE1-CE1 4.18Å; Y222-F251 HydrophobicContact CE1-CZ 4.47Å; Y222-F251 AromaticContact CE2-CE1 3.82Å; Y222-F251 HydrophobicContact CE2-CE1 3.82Å; Y222-F251 HydrophobicContact CE2-CZ 4.41Å; Y222-F251 AromaticContact CG-CE1 3.86Å; Y222-F251 HydrophobicContact CG-CE1 3.86Å; Y222-F251 AromaticContact CG-CZ 3.6Å; Y222-F251 HydrophobicContact CG-CZ 3.6Å; I233-F251 HydrophobicContact CD1-CE2 4.17Å; I233-F251 HydrophobicContact CG2-CE2 3.8Å; I233-F251 HydrophobicContact CG2-CZ 3.78Å; L235-F251 HydrophobicContact CD2-CZ 4.42Å; V247-F251 HydrophobicContact CG1-CD2 4.22Å; V247-F251 HydrophobicContact CG1-CE2 4.08Å; V247-F251 VanDerWaalsContact O-CD2 3.32Å; V247-F251 WeakPolarHBondContact O-CD2 3.17Å; V247-F251 PolarHBondContact O-N 3.14Å; L248-F251 PolarHBondContact O-N 3.4Å; L248-F251 VanDerWaalsContact O-N 3.15Å; K249-F251 PolarHBondContact O-N 3.19Å; F251-T255 WeakPolarHBondContact O-CB 3.16Å; F251-T255 VanDerWaalsContact O-CG2 3.29Å; F251-T255 WeakPolarHBondContact O-CG2 3.41Å; F251-T255 PolarHBondContact O-N 3.47Å; F251-T255 VanDerWaalsContact O-N 3.1Å; F251-T255 PolarHBondContact O-OG1 3.14Å
252L91.4Very high90.4Very high25 Ų2571.9 Ų71.913%0.13131%0.314CS..Hα-helixtrans-62.9-48.8174-65.2175.9000111.1I194 L248 K249 T255 E256 Y257 L259 P261I194-L252 HydrophobicContact CD1-CD2 4Å; L248-L252 HydrophobicContact CD1-CG 4.47Å; L248-L252 HydrophobicContact CG-CD1 4.1Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CG 3.28Å; L248-L252 PolarHBondContact O-N 3.02Å; K249-L252 PolarHBondContact O-N 3.23Å; L252-T255 CarbonylContact O-C 3.46Å; L252-T255 PolarHBondContact O-N 3.32Å; L252-T255 PolarHBondContact O-OG1 2.86Å; L252-E256 PolarHBondContact O-N 2.82Å; L252-Y257 HydrophobicContact CB-CD1 3.85Å; L252-Y257 HydrophobicContact CB-CE1 3.85Å; L252-Y257 PolarHBondContact O-N 2.82Å; L252-L259 WeakPolarHBondContact CD2-O 3.39Å; L252-P261 HydrophobicContact CD1-CG 4.37Å; L252-P261 HydrophobicContact CD2-CG 4.39Å
253E91.9Very high90.5Very high93 Ų9365.4 Ų65.444%0.43530%0.295SS..Hα-helixtrans-63.7-44.6178.8-73.7176.3178.100112.1K249 Y250 T255 E256 Y257K249-E253 WeakPolarHBondContact CE-OE1 3.48Å; K249-E253 HydrophobicContact CG-CG 4.35Å; K249-E253 IonicContact NZ-OE1 2.96Å; K249-E253 WeakPolarHBondContact O-CB 3.48Å; K249-E253 WeakPolarHBondContact O-CG 3.43Å; K249-E253 PolarHBondContact O-N 3.2Å; Y250-E253 PolarHBondContact O-N 2.94Å; E253-T255 PolarHBondContact O-N 2.85Å; E253-E256 PolarHBondContact O-N 2.83Å; E253-E256 VanDerWaalsContact O-N 3.14Å; E253-Y257 HydrophobicContact CG-CE2 4.28Å; E253-Y257 WeakPolarHBondContact CG-OH 3.29Å
254K89Confident90.1Very high140 Ų14067.6 Ų67.661%0.60931%0.308SS*.Hα-helixtrans-67.3-20.7178.6-75.2-61.9-177.9-173.10114.4Y250Y250-K254 HydrophobicContact CD2-CG 3.93Å; Y250-K254 HydrophobicContact CE1-CG 4.08Å; Y250-K254 HydrophobicContact CE2-CD 4.1Å; Y250-K254 VanDerWaalsContact CE2-CE 3.5Å; Y250-K254 HydrophobicContact CE2-CG 3.46Å; Y250-K254 VanDerWaalsContact CE2-CG 3.46Å; Y250-K254 HydrophobicContact CG-CG 4.47Å; Y250-K254 WeakPolarHBondContact O-CB 3.07Å; Y250-K254 WeakPolarHBondContact O-CG 3.42Å; Y250-K254 PolarHBondContact O-N 3.08Å
255T87.3Confident89Confident28 Ų2870.6 Ų70.617%0.17233%0.334CS..THydrogen-bonded Turntrans-10313.9176.760.80000112.6F251 L252 E253 Y257 R258 L259F251-T255 WeakPolarHBondContact O-CB 3.16Å; F251-T255 VanDerWaalsContact O-CG2 3.29Å; F251-T255 WeakPolarHBondContact O-CG2 3.41Å; F251-T255 PolarHBondContact O-N 3.47Å; F251-T255 VanDerWaalsContact O-N 3.1Å; F251-T255 PolarHBondContact O-OG1 3.14Å; L252-T255 CarbonylContact O-C 3.46Å; L252-T255 PolarHBondContact O-N 3.32Å; L252-T255 PolarHBondContact O-OG1 2.86Å; E253-T255 PolarHBondContact O-N 2.85Å; T255-Y257 PolarHBondContact O-N 2.87Å; T255-R258 VanDerWaalsContact O-CB 3.26Å; T255-R258 WeakPolarHBondContact O-CB 3.48Å; T255-R258 VanDerWaalsContact O-CG 3.25Å; T255-R258 WeakPolarHBondContact O-CG 3.41Å; T255-R258 PolarHBondContact O-N 3.34Å; T255-L259 HydrophobicContact CG2-CD1 3.75Å; T255-L259 HydrophobicContact CG2-CG 4.04Å
256E87.4Confident87.4Confident160 Ų16074.1 Ų74.175%0.74835%0.348SS*.THydrogen-bonded Turntrans52.636.1-178.5-60.1173.7-165.400112.1L252 E253 R258L252-E256 PolarHBondContact O-N 2.82Å; E253-E256 PolarHBondContact O-N 2.83Å; E253-E256 VanDerWaalsContact O-N 3.14Å; E256-R258 PolarHBondContact O-N 2.82Å; E256-R258 VanDerWaalsContact O-N 3.07Å
257Y88.3Confident85.7Confident143 Ų14377 Ų7756%0.56137%0.37SS*.THydrogen-bonded Turntrans57.920.3-177.9-58.8-92.6000114.4L252 E253 T255 L259L252-Y257 HydrophobicContact CB-CD1 3.85Å; L252-Y257 HydrophobicContact CB-CE1 3.85Å; L252-Y257 PolarHBondContact O-N 2.82Å; E253-Y257 HydrophobicContact CG-CE2 4.28Å; E253-Y257 WeakPolarHBondContact CG-OH 3.29Å; T255-Y257 PolarHBondContact O-N 2.87Å; Y257-L259 VanDerWaalsContact C-N 3.28Å
258R87.1Confident83.7Confident200 Ų20087.6 Ų87.676%0.75541%0.412SS*.  trans-72.1-25.3174.8-63.8-177.271-176.93.2112.6T255 E256T255-R258 VanDerWaalsContact O-CB 3.26Å; T255-R258 WeakPolarHBondContact O-CB 3.48Å; T255-R258 VanDerWaalsContact O-CG 3.25Å; T255-R258 WeakPolarHBondContact O-CG 3.41Å; T255-R258 PolarHBondContact O-N 3.34Å; E256-R258 PolarHBondContact O-N 2.82Å; E256-R258 VanDerWaalsContact O-N 3.07Å
259L90.2Very high81.8Confident12 Ų1292.7 Ų92.76%0.06344%0.439CS..SBendtrans-96.3140.5174.2-57.5-170.4000109.7D193 I194 L209 L252 T255 Y257D193-L259 HydrophobicContact CB-CB 4.04Å; D193-L259 HydrophobicContact CB-CD2 3.95Å; D193-L259 HydrophobicContact CB-CG 4.49Å; I194-L259 HydrophobicContact CD1-CB 3.68Å; I194-L259 HydrophobicContact CD1-CD1 4.19Å; I194-L259 HydrophobicContact CG1-CB 3.98Å; I194-L259 HydrophobicContact CG1-CD1 4.21Å; L209-L259 HydrophobicContact CB-CD1 4.31Å; L209-L259 HydrophobicContact CD1-CD1 4.15Å; L209-L259 HydrophobicContact CD2-CD1 4.22Å; L209-L259 HydrophobicContact CG-CD1 4.49Å; L252-L259 WeakPolarHBondContact CD2-O 3.39Å; T255-L259 HydrophobicContact CG2-CD1 3.75Å; T255-L259 HydrophobicContact CG2-CG 4.04Å; Y257-L259 VanDerWaalsContact C-N 3.28Å
260R91.1Very high80.2Confident134 Ų13493.9 Ų93.951%0.50646%0.456SS..  trans-112.9145.3178.6-63.3177.6-62.9151.110.8111.5E190 D193 I194E190-R260 PolarHBondContact O-NH2 3.39Å; D193-R260 PolarHBondContact N-O 2.9Å; D193-R260 PolarHBondContact OD2-N 3.27Å; I194-R260 PolarHBondContact N-O 3.16Å
261P92.8Very high78.5Confident36 Ų36101.8 Ų101.823%0.23449%0.485CS..BIsolated β-bridgetrans-59.2138.6170.5-18.631.6000110.5C172 L248 L252 I263C172-P261 HydrophobicContact CB-CB 3.69Å; L248-P261 HydrophobicContact CD1-CG 4.31Å; L248-P261 HydrophobicContact CD2-CB 4.31Å; L248-P261 HydrophobicContact CD2-CG 4.05Å; L252-P261 HydrophobicContact CD1-CG 4.37Å; L252-P261 HydrophobicContact CD2-CG 4.39Å; P261-I263 PolarHBondContact O-N 3.09Å
262Y92.8Very high76.9Confident4 Ų4108.6 Ų108.62%0.01652%0.521CS..  trans-71.6126.1178.5-171.8-90.3000111F174 L185 N188 N191 I194 I195 V264F174-Y262 HydrophobicContact CD2-CD1 4.42Å; F174-Y262 AromaticContact CE2-CD1 3.68Å; F174-Y262 HydrophobicContact CE2-CD1 3.68Å; F174-Y262 WeakPolarHBondContact CE2-O 3.32Å; F174-Y262 AromaticContact CZ-CD1 3.79Å; F174-Y262 HydrophobicContact CZ-CD1 3.79Å; F174-Y262 HydrophobicContact CZ-CE1 4.29Å; L185-Y262 HydrophobicContact CD2-CD2 3.74Å; L185-Y262 HydrophobicContact CD2-CE2 4.47Å; L185-Y262 HydrophobicContact CD2-CG 4.37Å; N188-Y262 HydrophobicContact CB-CE2 4.1Å; N188-Y262 WeakPolarHBondContact CB-OH 3.13Å; N188-Y262 PolarHBondContact ND2-OH 3.33Å; N191-Y262 HydrophobicContact CB-CD2 3.78Å; N191-Y262 HydrophobicContact CB-CE1 4.29Å; N191-Y262 HydrophobicContact CB-CE2 3.34Å; N191-Y262 HydrophobicContact CB-CG 4.43Å; N191-Y262 PolarHBondContact ND2-OH 3.45Å; N191-Y262 CarbonylContact O-C 3.49Å; N191-Y262 VanDerWaalsContact O-CA 3.28Å; N191-Y262 WeakPolarHBondContact O-CA 3.27Å; I194-Y262 VanDerWaalsContact O-CB 3.23Å; I194-Y262 WeakPolarHBondContact O-CB 3.12Å; I194-Y262 PolarHBondContact O-N 3.04Å; I195-Y262 HydrophobicContact CD1-CD1 4.03Å; I195-Y262 HydrophobicContact CD1-CD2 4.26Å; I195-Y262 HydrophobicContact CD1-CE1 4.47Å; I195-Y262 HydrophobicContact CD1-CG 3.92Å; I195-Y262 VanDerWaalsContact CG1-CB 3.48Å; I195-Y262 HydrophobicContact CG1-CD1 4.1Å; I195-Y262 HydrophobicContact CG1-CD2 4.39Å; I195-Y262 HydrophobicContact CG1-CG 3.76Å; Y262-V264 HydrophobicContact CD1-CG2 4.46Å; Y262-V264 HydrophobicContact CE1-CG2 3.75Å
263I89.2Confident75.3Confident86 Ų86113.2 Ų113.244%0.44155%0.55SS..  trans-132.6122.7179.2-58.2173.5000107.6F160 N191 P261 A265F160-I263 HydrophobicContact CZ-CG2 4.45Å; N191-I263 WeakPolarHBondContact CB-O 3.48Å; N191-I263 PolarHBondContact O-N 3.22Å; N191-I263 PolarHBondContact OD1-O 2.75Å; P261-I263 PolarHBondContact O-N 3.09Å; I263-A265 PolarHBondContact O-N 2.97Å
264V82.7Confident73.4Confident69 Ų69116.8 Ų116.842%0.41857%0.568SS.*  trans-70.6117.8177.7-1800000109.2F174 Y262 Q266F174-V264 HydrophobicContact CE1-CG2 3.76Å; F174-V264 HydrophobicContact CZ-CG2 3.95Å; Y262-V264 HydrophobicContact CD1-CG2 4.46Å; Y262-V264 HydrophobicContact CE1-CG2 3.75Å; V264-Q266 PolarHBondContact O-N 3.13Å; V264-Q266 VanDerWaalsContact O-N 3.08Å
265A66.3Low71.5Confident72 Ų72116.6 Ų116.660%0.59557%0.574SS**  trans-61.8109167.900000109.6N191 I263N191-A265 PolarHBondContact OD1-N 3.07Å; I263-A265 PolarHBondContact O-N 2.97Å
266Q58.2Low70.4Confident123 Ų123120.5 Ų120.558%0.57560%0.6SS**PPolyproline II helixtrans-80.8126.4169.3-67.9-167.7-1.700108.8V264 Y268V264-Q266 PolarHBondContact O-N 3.13Å; V264-Q266 VanDerWaalsContact O-N 3.08Å; Q266-Y268 PolarHBondContact O-N 3.48Å
267P55.8Low68.9Low117 Ų117118.4 Ų118.476%0.7660%0.6SS**PPolyproline II helixtrans-60.4138.6165.826.2-31.2000108.2D269P267-D269 PolarHBondContact O-N 3.44Å
268Y48.1Very low67.2Low223 Ų223117.2 Ų117.288%0.87561%0.61SS**PPolyproline II helixtrans-47.5129.2175.4-71.9-86.8000110.1Q266 T270Q266-Y268 PolarHBondContact O-N 3.48Å; Y268-T270 PolarHBondContact O-N 3.34Å
269D53.8Low65.6Low126 Ų126117.2 Ų117.267%0.67462%0.615SS**  trans-62.2110.5174.7-164.8-10.6000108.4P267 R271P267-D269 PolarHBondContact O-N 3.44Å; D269-R271 PolarHBondContact O-N 2.93Å; D269-R271 WeakPolarHBondContact OD1-CB 3.4Å; D269-R271 PolarHBondContact OD1-N 3.04Å; D269-R271 VanDerWaalsContact OD1-N 3.14Å
270T56.8Low63.5Low133 Ų133122.2 Ų122.282%0.81665%0.65SS**  trans-81.81.1-179.744.30000112.2Y268 I272Y268-T270 PolarHBondContact O-N 3.34Å; T270-I272 PolarHBondContact O-N 3.44Å
271R56.7Low61.5Low205 Ų205121.6 Ų121.677%0.77466%0.661SS**  trans-91.987.3179.7-58.5-179.5-176.4-172.41.5110D269 V273D269-R271 PolarHBondContact O-N 2.93Å; D269-R271 WeakPolarHBondContact OD1-CB 3.4Å; D269-R271 PolarHBondContact OD1-N 3.04Å; D269-R271 VanDerWaalsContact OD1-N 3.14Å; R271-V273 PolarHBondContact O-N 3.38Å
272I57.8Low59.3Low152 Ų152127.2 Ų127.278%0.77969%0.689SS**  trans-68.5102162.5-57.5174000106.8T270 M274T270-I272 PolarHBondContact O-N 3.44Å; I272-M274 HydrophobicContact CG2-CG 4.34Å; I272-M274 PolarHBondContact O-N 3.17Å
273V58.6Low57.2Low122 Ų122135.6 Ų135.674%0.73973%0.725SS**  trans-70.1101.9167.1-179.50000106.4R271 D275R271-V273 PolarHBondContact O-N 3.38Å; V273-D275 PolarHBondContact O-N 2.96Å
274M52.8Low55.7Low167 Ų167137 Ų13782%0.82374%0.74SS**  trans-72.7111.4169.4-72.7-168.874.500107.8I272I272-M274 HydrophobicContact CG2-CG 4.34Å; I272-M274 PolarHBondContact O-N 3.17Å
275D47.7Very low54.4Low136 Ų136139 Ų13973%0.72776%0.755SS**PPolyproline II helixtrans-57.4138.7165.4-72-42.8000109V273V273-D275 PolarHBondContact O-N 2.96Å
276P64.9Low53.8Low111 Ų111141.2 Ų141.272%0.72176%0.763SS**PPolyproline II helixtrans-58.7137.7176.323.4-31.4000109.2
277P55.9Low53.7Low115 Ų115142.1 Ų142.175%0.74778%0.776SS**PPolyproline II helixtrans-55.6137.9179.819.9-30000109.8K279P277-K279 PolarHBondContact O-N 2.87Å
278P52.9Low53.6Low118 Ų118142.1 Ų142.177%0.76677%0.774SS**PPolyproline II helixtrans-56.3128.2-17921.2-31000109.2C280P278-C280 PolarHBondContact O-N 2.88Å
279K52.9Low53.7Low201 Ų201137.1 Ų137.187%0.87477%0.769SS**  trans-54.4107.7177.6-72.6179.5179.7177.40108.3P277 V281P277-K279 PolarHBondContact O-N 2.87Å; K279-V281 PolarHBondContact O-N 3.01Å
280C45.2Very low53.8Low117 Ų117140.7 Ų140.779%0.79178%0.778SS**  trans-63.1102169.2-76.20000107.3P278 N282P278-C280 PolarHBondContact O-N 2.88Å; C280-N282 PolarHBondContact O-N 2.65Å; C280-N282 VanDerWaalsContact O-N 3.08Å
281V49.3Very low53.5Low121 Ų121138.6 Ų138.673%0.73377%0.774SS**  trans-64.4110.7165.8-179.10000105.8K279 K283K279-V281 PolarHBondContact O-N 3.01Å; V281-K283 VanDerWaalsContact C-N 3.31Å; V281-K283 PolarHBondContact O-N 3.06Å
282N47.3Very low53.7Low154 Ų154138.2 Ų138.282%0.82478%0.781SS**  trans-54.993.5173.3-74.2-32.5000109.3C280C280-N282 PolarHBondContact O-N 2.65Å; C280-N282 VanDerWaalsContact O-N 3.08Å
283K48.7Very low53.5Low180 Ų180137.2 Ų137.278%0.78378%0.782SS**PPolyproline II helixtrans-82.4128.1161.5-68.4-174.3-179.6-177.90106.6V281V281-K283 VanDerWaalsContact C-N 3.31Å; V281-K283 PolarHBondContact O-N 3.06Å
284P58.8Low53.1Low114 Ų114135.4 Ų135.474%0.7478%0.78SS**PPolyproline II helixtrans-58144.817023.5-30.2000109.2
285P54Low53Low113 Ų113133.4 Ų133.473%0.73478%0.779SS**PPolyproline II helixtrans-59.4140.2-178.122.8-31.5000110.1V287P285-V287 PolarHBondContact O-N 3.16Å
286P55Low52.7Low117 Ų117135.4 Ų135.476%0.7679%0.787SS**PPolyproline II helixtrans-63.3128.4175.925.8-30.9000109V288P286-V288 PolarHBondContact O-N 2.94Å
287V54.2Low51.8Low142 Ų142138 Ų13886%0.86179%0.789SS**  trans-62.2110.2174178.70000108P285P285-V287 PolarHBondContact O-N 3.16Å
288V55.4Low51Low117 Ų117143.5 Ų143.571%0.70980%0.795SS**  trans-67127.4173.7-171.60000108.1P286 K290P286-V288 PolarHBondContact O-N 2.94Å; V288-K290 PolarHBondContact O-N 3.31Å; V288-K290 VanDerWaalsContact O-N 3.1Å
289P50Low50.3Low118 Ų118146.8 Ų146.877%0.76680%0.797SS**  trans-65.4114.7172.9-1326.4000108.6A291P289-A291 PolarHBondContact O-N 3.38Å; P289-A291 VanDerWaalsContact O-N 3.08Å
290K54.9Low49.9Very low202 Ų202146.4 Ų146.488%0.87880%0.799SS**  trans-67.7106.8169.3-76.1-178.4176.11780107.9V288 Q292V288-K290 PolarHBondContact O-N 3.31Å; V288-K290 VanDerWaalsContact O-N 3.1Å; K290-Q292 PolarHBondContact O-N 2.84Å; K290-Q292 VanDerWaalsContact O-N 3.13Å
291A51.3Low49.3Very low89 Ų89145.4 Ų145.474%0.73680%0.799SS**  trans-62112.9168.500000108.7P289 V293P289-A291 PolarHBondContact O-N 3.38Å; P289-A291 VanDerWaalsContact O-N 3.08Å; A291-V293 PolarHBondContact O-N 2.75Å
292Q59.9Low48.7Very low196 Ų196149.4 Ų149.492%0.91681%0.806SS**  trans-79.6108.1167.9-71.4-173.3-10.900107.8K290K290-Q292 PolarHBondContact O-N 2.84Å; K290-Q292 VanDerWaalsContact O-N 3.13Å
293V54.8Low48.5Very low131 Ų131149.9 Ų149.979%0.79481%0.809SS**PPolyproline II helixtrans-97.4128.6170.1-167.70000107.4A291A291-V293 PolarHBondContact O-N 2.75Å
294A50.1Low48Very low84 Ų84150.9 Ų150.969%0.69481%0.813SS**PPolyproline II helixtrans-60.7147.9178.300000111.1M296A294-M296 PolarHBondContact O-N 2.66Å
295P50.9Low47.2Very low125 Ų125154.4 Ų154.481%0.81282%0.82SS**PPolyproline II helixtrans-66.7131.9-177.7-8.523000110.2Q297P295-Q297 PolarHBondContact O-N 2.88Å
296M40.4Very low46.4Very low179 Ų179156.4 Ų156.488%0.88282%0.823SS**PPolyproline II helixtrans-67.7116.1175.7-153.1175.777.200109.1A294 R298A294-M296 PolarHBondContact O-N 2.66Å; M296-R298 PolarHBondContact O-N 3.25Å; M296-R298 VanDerWaalsContact O-N 3.1Å
297Q46.9Very low45.8Very low166 Ų166156 Ų15678%0.77682%0.82SS**  trans-66110.9175-74.3-174.1-11.400109.4P295 F299P295-Q297 PolarHBondContact O-N 2.88Å; Q297-F299 PolarHBondContact O-N 2.87Å; Q297-F299 VanDerWaalsContact O-N 3.16Å
298R39Very low45.2Very low230 Ų230155.2 Ų155.287%0.86882%0.819SS**  trans-78.995.6178-156177.6-167-177.23108.5M296 Q300M296-R298 PolarHBondContact O-N 3.25Å; M296-R298 VanDerWaalsContact O-N 3.1Å; R298-Q300 PolarHBondContact O-N 3.34Å
299F38.3Very low44.7Very low186 Ų186156 Ų15682%0.81682%0.823SS**  trans-64.9116.3163.8-84.5-87000108.3Q297 A301Q297-F299 PolarHBondContact O-N 2.87Å; Q297-F299 VanDerWaalsContact O-N 3.16Å; F299-A301 PolarHBondContact O-N 2.85Å
300Q43.2Very low44.2Very low193 Ų193156 Ų15690%0.90282%0.823SS**  trans-73.9112.2170.4-69.8-153.422.800109.1R298R298-Q300 PolarHBondContact O-N 3.34Å
301A32.5Very low43.6Very low96 Ų96155.7 Ų155.779%0.79382%0.822SS**  trans-133.9114.3162.500000109F299F299-A301 PolarHBondContact O-N 2.85Å
302K36.8Very low43Very low205 Ų205157.4 Ų157.489%0.89183%0.825SS**  trans-10.8132.9169.3-86.7167.5168.41720118.2K304K302-K304 PolarHBondContact O-N 2.98Å
303D43.3Very low42Very low165 Ų165155.9 Ų155.988%0.88282%0.823SS**  trans-37.9117.6159.9-78.2-52.6000113.7
304K37.8Very low41.4Very low200 Ų200158.4 Ų158.487%0.8783%0.827SS**  trans-140.9109.3148.8-73.8-166177.6-177.60109.5K302K302-K304 PolarHBondContact O-N 2.98Å
305H43.2Very low41Very low189 Ų189157.3 Ų157.388%0.87582%0.824SS**  trans9.5116.6154.2-131.2-79000117.9
306L35.8Very low40.5Very low155 Ų155158.9 Ų158.981%0.81283%0.825SS**  trans-106.1152.9159.8-72.9170.4000109.8
307P43.1Very low40.7Very low107 Ų107161 Ų16170%0.69583%0.825SS**PPolyproline II helixtrans-81.8165.5-174.223-12.6000113
308P42.6Very low40.7Very low127 Ų127159.6 Ų159.683%0.82583%0.827SS**PPolyproline II helixtrans-72.3145.8-177-4.921000112.4
309V43.1Very low41.3Very low132 Ų132155.8 Ų155.880%0.882%0.824SS**PPolyproline II helixtrans-65.5138174.1177.70000110.7
310P39.5Very low41.6Very low118 Ų118152.3 Ų152.377%0.76682%0.819SS**PPolyproline II helixtrans-73.4142.6175.6-7.323.7000111.8
311K42.6Very low41.7Very low196 Ų196152.3 Ų152.385%0.85282%0.82SS**PPolyproline II helixtrans-70.7154.3174.7-67.4-179.5179.2179.60111.5
312P39.6Very low42.7Very low125 Ų125154.2 Ų154.281%0.81282%0.816SS**PPolyproline II helixtrans-71.8142.7172.43.911.8000111.1
313D38.8Very low43.4Very low164 Ų164150.1 Ų150.188%0.87781%0.81SS**PPolyproline II helixtrans-70122.2179.1-159.217.7000110.6G315D313-G315 PolarHBondContact O-N 2.94Å
314E41.7Very low44.1Very low185 Ų185148.6 Ų148.686%0.86480%0.802SS**  trans-81.597.3173.7-83.5175.3162.400108.9
315G42.3Very low44.7Very low61 Ų61146.1 Ų146.163%0.62980%0.796SS**  trans-83.4111.2165.800000110.5D313 Y317D313-G315 PolarHBondContact O-N 2.94Å; G315-Y317 PolarHBondContact O-N 3.4Å
316D41.1Very low45.3Very low158 Ų158142 Ų14285%0.84578%0.78SS**  trans-58110.9173.1-78.2-36.3000111.5
317Y44.1Very low46.3Very low224 Ų224139.8 Ų139.888%0.87877%0.769SS**  trans-94.8107.2161.8-88.4-87.3000108.9G315 L319G315-Y317 PolarHBondContact O-N 3.4Å; Y317-L319 PolarHBondContact O-N 3.16Å
318V46.5Very low46.8Very low136 Ų136140.1 Ų140.182%0.82476%0.761SS**  trans-72.9112.1172-178.90000109
319L50.4Low47.5Very low150 Ų150139.9 Ų139.979%0.78575%0.75SS**  trans-85132.5167.1-79.8159.7000108.9Y317 E321Y317-L319 PolarHBondContact O-N 3.16Å; L319-E321 PolarHBondContact O-N 3.36Å
320P45.7Very low48.1Very low112 Ų112139.3 Ų139.373%0.72774%0.737SS**  trans-61.8131.7172.4-2032000111.1D322P320-D322 PolarHBondContact O-N 3.36Å
321E46.3Very low49.2Very low194 Ų194139.8 Ų139.891%0.90773%0.727SS**  trans-72.8105.6176.3-68.1176.3157.500110.3L319L319-E321 PolarHBondContact O-N 3.36Å
322D52.8Low50.1Low136 Ų136136.4 Ų136.473%0.72771%0.713SS**  trans-86.5128.9165.6-81.7-34.2000110.1P320 D324P320-D322 PolarHBondContact O-N 3.36Å; D322-D324 PolarHBondContact O-N 3.45Å
323P51.3Low51.3Low118 Ų118135.2 Ų135.277%0.76670%0.703SS**SBendtrans-92.669.7-172.237-33.9000111.4
324D57.3Low52.8Low133 Ų133133.2 Ų133.271%0.71169%0.688SS**  trans-17050.8159.5-112.8-20.8000115D322 D326D322-D324 PolarHBondContact O-N 3.45Å; D324-D326 VanDerWaalsContact C-N 3.27Å; D324-D326 PolarHBondContact O-N 2.87Å
325M50.7Low54Low149 Ų149129.2 Ų129.273%0.73467%0.672SS**Hα-helixtrans-71.5-13.2-176.5-71-67-74.100115.2
326D56.7Low55.5Low103 Ų103129.1 Ų129.155%0.55167%0.665SS**Hα-helixtrans-84.7-31.1-172.6-157.839.3000113.2D324 K330D324-D326 VanDerWaalsContact C-N 3.27Å; D324-D326 PolarHBondContact O-N 2.87Å; D326-K330 PolarHBondContact O-N 2.65Å; D326-K330 IonicContact OD2-NZ 2.77Å; D326-K330 PolarHBondContact OD2-NZ 3.07Å
327D56.3Low57.2Low108 Ų108123.3 Ų123.358%0.57864%0.643SS**Hα-helixtrans-76-34.7179.6-15941.7000111.8M329 K330 K331D327-M329 PolarHBondContact O-N 2.84Å; D327-K330 PolarHBondContact O-N 3.4Å; D327-K331 WeakPolarHBondContact O-CB 3.27Å; D327-K331 PolarHBondContact O-N 2.86Å
328H54.4Low58.8Low113 Ų113118.2 Ų118.252%0.52363%0.627SS.*Hα-helixtrans-71.2-32.2179.6-163.4-97.9000113K332H328-K332 PolarHBondContact O-N 3Å
329M56.6Low60Low122 Ų122116.8 Ų116.860%0.60161%0.614SS**Hα-helixtrans-69-45.5173.5-93.9-60.9-147.800111.7D327 K331 K332 T333D327-M329 PolarHBondContact O-N 2.84Å; M329-K331 VanDerWaalsContact C-N 3.3Å; M329-K331 PolarHBondContact O-N 3.19Å; M329-K332 PolarHBondContact O-N 3.25Å; M329-T333 PolarHBondContact O-N 3.31Å; M329-T333 PolarHBondContact O-OG1 3.3Å
330K56.2Low61.2Low121 Ų121115.5 Ų115.553%0.52660%0.604SS.*Hα-helixtrans-59.2-42.3176.1-73.3170.6-172.3150.80111.5D326 D327 T333 Q334D326-K330 PolarHBondContact O-N 2.65Å; D326-K330 IonicContact OD2-NZ 2.77Å; D326-K330 PolarHBondContact OD2-NZ 3.07Å; D327-K330 PolarHBondContact O-N 3.4Å; K330-T333 PolarHBondContact O-N 2.89Å; K330-Q334 WeakPolarHBondContact O-CB 3.44Å; K330-Q334 PolarHBondContact O-N 3.33Å
331K62.6Low62.6Low128 Ų128112.8 Ų112.856%0.55759%0.591SS**Hα-helixtrans-64.9-39.7177-156.2168-170.9170.60112.6D327 M329 Q334 I335D327-K331 WeakPolarHBondContact O-CB 3.27Å; D327-K331 PolarHBondContact O-N 2.86Å; M329-K331 VanDerWaalsContact C-N 3.3Å; M329-K331 PolarHBondContact O-N 3.19Å; K331-Q334 PolarHBondContact O-N 2.85Å; K331-I335 HydrophobicContact CG-CD1 4.23Å; K331-I335 WeakPolarHBondContact O-CD1 3.39Å; K331-I335 WeakPolarHBondContact O-CG1 3.31Å; K331-I335 PolarHBondContact O-N 2.81Å
332K61.2Low64Low125 Ų125107.7 Ų107.754%0.54357%0.573SS.*Hα-helixtrans-63.6-43173.4-89.6-177.4173176.70112.5H328 M329 Q334 I335 A336H328-K332 PolarHBondContact O-N 3Å; M329-K332 PolarHBondContact O-N 3.25Å; K332-Q334 VanDerWaalsContact C-N 3.33Å; K332-I335 PolarHBondContact O-N 2.86Å; K332-A336 WeakPolarHBondContact O-CB 3.4Å; K332-A336 PolarHBondContact O-N 2.89Å
333T63.8Low65Low99 Ų99105.8 Ų105.861%0.60756%0.563SS**Hα-helixtrans-66.4-37.9178.4-44.40000111.5M329 K330 A336 G337M329-T333 PolarHBondContact O-N 3.31Å; M329-T333 PolarHBondContact O-OG1 3.3Å; K330-T333 PolarHBondContact O-N 2.89Å; T333-A336 PolarHBondContact O-N 2.78Å; T333-G337 PolarHBondContact O-N 2.94Å
334Q70.4Confident66Low122 Ų122106.6 Ų106.657%0.5756%0.556SS**Hα-helixtrans-64.1-47.3175.8-173.9172.84.400112K330 K331 K332 A336 G337 E338K330-Q334 WeakPolarHBondContact O-CB 3.44Å; K330-Q334 PolarHBondContact O-N 3.33Å; K331-Q334 PolarHBondContact O-N 2.85Å; K332-Q334 VanDerWaalsContact C-N 3.33Å; Q334-A336 VanDerWaalsContact C-N 3.31Å; Q334-A336 PolarHBondContact O-N 2.76Å; Q334-G337 PolarHBondContact O-N 3.06Å; Q334-E338 PolarHBondContact O-N 2.77Å
335I68.1Low66.8Low101 Ų101108.1 Ų108.152%0.51856%0.556SS.*Hα-helixtrans-63-38.9178.2-67163.5000111.2K331 K332 E338 L339K331-I335 HydrophobicContact CG-CD1 4.23Å; K331-I335 WeakPolarHBondContact O-CD1 3.39Å; K331-I335 WeakPolarHBondContact O-CG1 3.31Å; K331-I335 PolarHBondContact O-N 2.81Å; K332-I335 PolarHBondContact O-N 2.86Å; I335-E338 PolarHBondContact O-N 2.88Å; I335-L339 WeakPolarHBondContact O-CB 3.02Å; I335-L339 PolarHBondContact O-N 2.91Å
336A72.9Confident67.5Low59 Ų59109.9 Ų109.949%0.48856%0.555SS.*Hα-helixtrans-64.5-40.1175.900000112K332 T333 Q334 Q340K332-A336 WeakPolarHBondContact O-CB 3.4Å; K332-A336 PolarHBondContact O-N 2.89Å; T333-A336 PolarHBondContact O-N 2.78Å; Q334-A336 VanDerWaalsContact C-N 3.31Å; Q334-A336 PolarHBondContact O-N 2.76Å; A336-Q340 WeakPolarHBondContact O-CB 3.4Å; A336-Q340 PolarHBondContact O-N 3.19Å; A336-Q340 VanDerWaalsContact O-N 3.08Å
337G77.6Confident67.9Low37 Ų37114.6 Ų114.638%0.38157%0.565SS.*Hα-helixtrans-65.2-43.8175.200000113.1T333 Q334 Q340 A341T333-G337 PolarHBondContact O-N 2.94Å; Q334-G337 PolarHBondContact O-N 3.06Å; G337-Q340 PolarHBondContact O-N 3.07Å; G337-A341 PolarHBondContact O-N 2.98Å
338E76.2Confident68Low116 Ų116111.2 Ų111.254%0.54256%0.556SS.*Hα-helixtrans-62.3-43.5176.3-74.7178.2-170.300111.8Q334 I335 Q340 A341 V342Q334-E338 PolarHBondContact O-N 2.77Å; I335-E338 PolarHBondContact O-N 2.88Å; E338-Q340 VanDerWaalsContact C-N 3.33Å; E338-Q340 PolarHBondContact O-N 3.29Å; E338-A341 PolarHBondContact O-N 3.5Å; E338-V342 WeakPolarHBondContact O-CG2 3.31Å; E338-V342 PolarHBondContact O-N 3.29Å
339L72.8Confident68Low106 Ų106111.5 Ų111.556%0.55556%0.561SS**Hα-helixtrans-61.7-41.9176.8-176.563.5000111.7I335 V342 L343I335-L339 WeakPolarHBondContact O-CB 3.02Å; I335-L339 PolarHBondContact O-N 2.91Å; L339-V342 PolarHBondContact O-N 2.94Å; L339-L343 HydrophobicContact CG-CD1 4.3Å; L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.38Å; L339-L343 PolarHBondContact O-N 2.82Å
340Q75.3Confident67.8Low123 Ų123111.1 Ų111.158%0.57556%0.56SS**Hα-helixtrans-65.7-38.9178.2-167.5172.410.500112A336 G337 E338 L343 Q344A336-Q340 WeakPolarHBondContact O-CB 3.4Å; A336-Q340 PolarHBondContact O-N 3.19Å; A336-Q340 VanDerWaalsContact O-N 3.08Å; G337-Q340 PolarHBondContact O-N 3.07Å; E338-Q340 VanDerWaalsContact C-N 3.33Å; E338-Q340 PolarHBondContact O-N 3.29Å; Q340-L343 PolarHBondContact O-N 3.18Å; Q340-Q344 PolarHBondContact O-N 2.74Å
341A75.2Confident67.3Low55 Ų55115.2 Ų115.246%0.45557%0.574SS.*Hα-helixtrans-65.2-40.2176.100000112.4G337 E338 Q344 K345G337-A341 PolarHBondContact O-N 2.98Å; E338-A341 PolarHBondContact O-N 3.5Å; A341-Q344 PolarHBondContact O-N 3.42Å; A341-K345 PolarHBondContact O-N 2.94Å
342V76.3Confident66.6Low87 Ų87114.9 Ų114.953%0.52758%0.582SS.*Hα-helixtrans-64.4-41.4175.5172.10000111.3E338 L339 K345 R346E338-V342 WeakPolarHBondContact O-CG2 3.31Å; E338-V342 PolarHBondContact O-N 3.29Å; L339-V342 PolarHBondContact O-N 2.94Å; V342-K345 PolarHBondContact O-N 3.4Å; V342-R346 PolarHBondContact O-N 3.4Å
343L72.6Confident65.9Low97 Ų97117.4 Ų117.451%0.50860%0.596SS.*Hα-helixtrans-66.6-36.9177.6-70.8171.8000112.5L339 Q340 R346 R347L339-L343 HydrophobicContact CG-CD1 4.3Å; L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.38Å; L339-L343 PolarHBondContact O-N 2.82Å; Q340-L343 PolarHBondContact O-N 3.18Å; L343-R346 PolarHBondContact O-N 2.72Å; L343-R347 PolarHBondContact O-N 3.31Å
344Q73.2Confident64.9Low134 Ų134117.8 Ų117.863%0.62660%0.603SS**Hα-helixtrans-67.3-42.4174.1-77.3-171.5-7.700112.5Q340 A341 R346 R347 G348Q340-Q344 PolarHBondContact O-N 2.74Å; A341-Q344 PolarHBondContact O-N 3.42Å; Q344-R346 VanDerWaalsContact C-N 3.33Å; Q344-R346 PolarHBondContact O-N 3.38Å; Q344-R347 PolarHBondContact O-N 3.49Å; Q344-R347 VanDerWaalsContact O-N 3.17Å; Q344-G348 PolarHBondContact O-N 3.05Å
345K74.4Confident63.5Low166 Ų166114.7 Ų114.772%0.72260%0.603SS**Hα-helixtrans-59.3-42173.8-91.2-172.3174.3-177.70112.3A341 V342 G348 N349A341-K345 PolarHBondContact O-N 2.94Å; V342-K345 PolarHBondContact O-N 3.4Å; K345-G348 PolarHBondContact O-N 3.41Å; K345-N349 PolarHBondContact O-N 3.5Å; K345-N349 VanDerWaalsContact O-N 3.11Å
346R64Low62.2Low185 Ų185117 Ų11770%0.69862%0.617SS**Hα-helixtrans-62.6-41.3174.2-90.9-172174.1-176.3-0.9112.5V342 L343 Q344 G348 I350V342-R346 PolarHBondContact O-N 3.4Å; L343-R346 PolarHBondContact O-N 2.72Å; Q344-R346 VanDerWaalsContact C-N 3.33Å; Q344-R346 PolarHBondContact O-N 3.38Å; R346-G348 VanDerWaalsContact C-N 3.35Å; R346-I350 WeakPolarHBondContact O-CD1 3.26Å; R346-I350 WeakPolarHBondContact O-CG1 3.39Å; R346-I350 PolarHBondContact O-N 3.16Å
347R65Low60.5Low202 Ų202122.1 Ų122.176%0.76264%0.636SS**Hα-helixtrans-66.1-35176.7-101.1-175.9160.8-152-4113L343 Q344L343-R347 PolarHBondContact O-N 3.31Å; Q344-R347 PolarHBondContact O-N 3.49Å; Q344-R347 VanDerWaalsContact O-N 3.17Å
348G58.3Low58.6Low37 Ų37129.3 Ų129.338%0.38166%0.66SS.*Hα-helixtrans-67.3-4317600000113.1Q344 K345 R346 I350 Y351Q344-G348 PolarHBondContact O-N 3.05Å; K345-G348 PolarHBondContact O-N 3.41Å; R346-G348 VanDerWaalsContact C-N 3.35Å; G348-I350 VanDerWaalsContact C-N 3.26Å; G348-I350 PolarHBondContact O-N 3.31Å; G348-Y351 PolarHBondContact O-N 2.79Å
349N55.5Low56.5Low120 Ų120132 Ų13264%0.64268%0.678SS**Hα-helixtrans-64.3-28.5179-88.336.5000113.5K345 Y351K345-N349 PolarHBondContact O-N 3.5Å; K345-N349 VanDerWaalsContact O-N 3.11Å; N349-Y351 VanDerWaalsContact C-N 3.3Å; N349-Y351 PolarHBondContact O-N 3.14Å
350I52.9Low54.6Low114 Ų114131.9 Ų131.959%0.58569%0.686SS**Hα-helixtrans-71.1-24.9179.1-65.3165.2000112R346 G348R346-I350 WeakPolarHBondContact O-CD1 3.26Å; R346-I350 WeakPolarHBondContact O-CG1 3.39Å; R346-I350 PolarHBondContact O-N 3.16Å; G348-I350 VanDerWaalsContact C-N 3.26Å; G348-I350 PolarHBondContact O-N 3.31Å
351Y45.1Very low52.5Low206 Ų206130.4 Ų130.481%0.80869%0.694SS**Hα-helixtrans-96.4-7.1-178.3-91-88.6000114.6G348 N349G348-Y351 PolarHBondContact O-N 2.79Å; N349-Y351 VanDerWaalsContact C-N 3.3Å; N349-Y351 PolarHBondContact O-N 3.14Å
352V47.4Very low50.5Low121 Ų121138.2 Ų138.273%0.73371%0.714SS**Hα-helixtrans-95-19177179.60000111.9
353E46.2Very low48.5Very low178 Ų178142.8 Ų142.883%0.83273%0.729SS**THydrogen-bonded Turntrans-91.25.6-177.4-148.7164.9-156.100113.6
354S43.8Very low46.5Very low108 Ų108145.6 Ų145.676%0.75575%0.745SS**THydrogen-bonded Turntrans-114.918.9179.9-540000114
355G41.5Very low44.6Very low56 Ų56148.2 Ų148.258%0.57776%0.757SS**SBendtrans-133.955.5-178.100000112.2
356N40.1Very low42.8Very low150 Ų150148.9 Ų148.980%0.80276%0.763SS**  trans-172.598.3156.9-98-8.2000107.6
357D37Very low41.3Very low167 Ų167143.8 Ų143.889%0.89377%0.768SS**  trans-160.4112.1137.6-89.6-27.5000107.1
358E37.4Very low39.8Very low188 Ų188142 Ų14288%0.87977%0.771SS**  trans-66.9129.4179.2-66.9179.4144.600110.3S360E358-S360 PolarHBondContact O-N 2.93Å; E358-S360 VanDerWaalsContact O-N 3.11Å
359D32.9Very low38.8Very low173 Ų173147 Ų14793%0.92580%0.795SS**  trans-62.1105.5172.5-81.8-42.5000111.1
360S32.6Very low37.8Very low102 Ų102148.4 Ų148.471%0.71384%0.837SS**  trans-81.3115.516563.10000110.9E358E358-S360 PolarHBondContact O-N 2.93Å; E358-S360 VanDerWaalsContact O-N 3.11Å
361A32.3Very low37Very low92 Ų92150.2 Ų150.276%0.7685%0.85SS**  trans-9.2126.4162.800000118.9
362Y32.1Very low36.6Very low219 Ų219147.2 Ų147.286%0.85985%0.852SS**  trans-112.5117.8152.8-77.9-82.7000109.3
363Q33.6Very low36Very low183 Ų183148.7 Ų148.786%0.85586%0.859SS**  trans-72.1130.6169.5-74.7-179.2-37.800109.7
364N30.8Very low35.4Very low156 Ų156146.9 Ų146.983%0.83486%0.86SS**  trans-86.2117.9167.3-70.9-33.7000108.6
365E34.5Very low34.9Very low189 Ų189149.4 Ų149.488%0.88387%0.867SS**  trans-97.4104.8158.7-73.6-167161.200108.4
366E36.7Very low34.4Very low181 Ų181155.6 Ų155.685%0.84689%0.886SS**  trans-72.4128.6162.8-75.4-177.8151.100109.3
367G31.8Very low34Very low77 Ų77156 Ų15679%0.79489%0.892SS**  trans-72.3131.816600000111
368I32.9Very low33.8Very low164 Ų164155.2 Ų155.284%0.84189%0.892SS**  trans-110.2119.9158.8-64.6176000106.9
369V38.7Very low33.5Very low144 Ų144152.4 Ų152.487%0.87389%0.893SS**  trans-123.7131158.1172.10000106.2
370G33.4Very low33.6Very low149 Ų149150.5 Ų150.5100%1.53689%0.89SS**  trans62.60148.300000117.8

Retrieved 370 of 370 residues in 95.3 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).