A0A087XGW4_POEFO Loading...

Glia maturation factor

AlphaFold DB , UniProt , Accession A0A087XGW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 143 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
1M37.5Very low65.6Low234 Ų23491.7 Ų91.7100%1.15352%0.52SS*.  01070-68.6-61.2-153.300107.5S3M1-S3 PolarHBondContact O-N 2.7Å; M1-S3 VanDerWaalsContact O-N 3.1Å
2S41.3Very low67.4Low124 Ų12492.9 Ų92.987%0.86752%0.518SS*.  trans-69.999.6174.1174.60000107.3S4S2-S4 PolarHBondContact O-N 2.91Å
3S46.8Very low69Low75 Ų7589.7 Ų89.752%0.52451%0.506SS..  trans-72.499.2173.760.20000107.1M1 L5 M103M1-S3 PolarHBondContact O-N 2.7Å; M1-S3 VanDerWaalsContact O-N 3.1Å; S3-L5 PolarHBondContact O-N 3.2Å; S3-M103 WeakPolarHBondContact OG-CE 3.47Å
4S55Low70.5Confident92 Ų9283.3 Ų83.364%0.64347%0.469SS*.  trans-53.6122.8168.253.10000108S2 V6S2-S4 PolarHBondContact O-N 2.91Å; S4-V6 PolarHBondContact O-N 3.35Å
5L59.1Low71.6Confident110 Ų11085.9 Ų85.958%0.57647%0.469SS*.  trans-57.6106.9169.3-79157.1000107.8S3 V7 M103S3-L5 PolarHBondContact O-N 3.2Å; L5-V7 PolarHBondContact O-N 3.39Å; L5-V7 VanDerWaalsContact O-N 3.13Å; L5-M103 HydrophobicContact CD2-CE 4.1Å; L5-M103 HydrophobicContact CG-CE 4.5Å
6V66.3Low72.8Confident43 Ų4387.1 Ų87.126%0.26147%0.47SS..  trans-77.499.9174176.30000106.8S4 Q41 M104S4-V6 PolarHBondContact O-N 3.35Å; V6-Q41 HydrophobicContact CG1-CG 4.32Å; V6-Q41 VanDerWaalsContact CG1-NE2 3.29Å; V6-M104 HydrophobicContact CB-CG 4.11Å; V6-M104 HydrophobicContact CG1-CG 4.5Å
7V74.8Confident73.7Confident84 Ų8486.2 Ų86.251%0.50946%0.461SS..PPolyproline II helixtrans-84.4119.1171.7-1780000107.3L5 R111L5-V7 PolarHBondContact O-N 3.39Å; L5-V7 VanDerWaalsContact O-N 3.13Å; V7-R111 HydrophobicContact CG1-CB 4.49Å
8C81.7Confident74.5Confident2 Ų281.8 Ų81.81%0.01444%0.437CS..PPolyproline II helixtrans-86.7145.3179.2-64.50000110.3I36 Q41 V43 S108C8-I36 HydrophobicContact CB-CD1 4.32Å; C8-I36 HydrophobicContact CB-CG2 3.87Å; C8-I36 WeakPolarHBondContact SG-CG2 3.45Å; C8-Q41 WeakPolarHBondContact CA-O 3.28Å; C8-Q41 WeakPolarHBondContact CB-O 3.32Å; C8-V43 HydrophobicContact CB-CG2 3.94Å; C8-S108 WeakPolarHBondContact CB-OG 3.46Å; C8-S108 PolarHBondContact N-OG 3.33Å
9E83.1Confident75.2Confident151 Ų15184.9 Ų84.971%0.70645%0.447SS*.EExtended strand (participates in β ladder)trans-78.2152.1173.5-66.6-164.315800110.9Q41 L42 V43E9-Q41 PolarHBondContact N-O 3.25Å; E9-L42 HydrophobicContact CB-CD2 3.85Å; E9-L42 CarbonylContact O-C 3.57Å; E9-L42 WeakPolarHBondContact O-CA 3.37Å; E9-L42 WeakPolarHBondContact O-CD2 3.41Å; E9-V43 PolarHBondContact O-N 3.25Å
10V86.1Confident75.9Confident21 Ų2188 Ų8813%0.12746%0.456CS..EExtended strand (participates in β ladder)trans-91.5129.2178.6-176.70000108.9L14 V43 L112 I115V10-L14 HydrophobicContact CG1-CB 4.33Å; V10-L14 HydrophobicContact CG1-CD2 3.82Å; V10-L14 HydrophobicContact CG1-CG 4.07Å; V10-V43 HydrophobicContact CB-CB 4.44Å; V10-V43 HydrophobicContact CG2-CB 4.11Å; V10-V43 HydrophobicContact CG2-CG2 4.12Å; V10-L112 HydrophobicContact CG1-CD1 4Å; V10-L112 HydrophobicContact CG2-CD1 3.93Å; V10-I115 HydrophobicContact CB-CD1 3.86Å; V10-I115 HydrophobicContact CG2-CD1 3.64Å
11E89.6Confident76.4Confident73 Ų7384.2 Ų84.234%0.34144%0.436SS..PPolyproline II helixtrans-59.1136.6176.6-165.7-168.3166.900110.8S13 L14 R15 V43 I44E11-S13 WeakPolarHBondContact CG-OG 3.46Å; E11-S13 PolarHBondContact O-N 2.73Å; E11-S13 PolarHBondContact OE1-OG 3.24Å; E11-S13 PolarHBondContact OE2-OG 2.72Å; E11-L14 HydrophobicContact CB-CB 4.26Å; E11-L14 WeakPolarHBondContact O-CB 3.45Å; E11-L14 PolarHBondContact O-N 3.28Å; E11-L14 VanDerWaalsContact O-N 3.1Å; E11-R15 PolarHBondContact O-N 3.47Å; E11-V43 WeakPolarHBondContact CB-O 3.48Å; E11-V43 PolarHBondContact N-O 3.28Å; E11-I44 HydrophobicContact CB-CG2 4.33Å; E11-I44 WeakPolarHBondContact OE2-CG2 3.36Å
12E87.9Confident78.6Confident106 Ų10678 Ų7850%0.49540%0.4SS..Hα-helixtrans-61.4-35.2-177.8-167.762.8-142.800111.6L14 R15 E16E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.29Å; E12-R15 WeakPolarHBondContact O-CB 3.34Å; E12-R15 PolarHBondContact O-N 3Å; E12-R15 IonicContact OE1-NH1 3.6Å; E12-R15 IonicContact OE2-NH1 2.63Å; E12-E16 PolarHBondContact O-N 2.83Å
13S88.5Confident80.7Confident51 Ų5178.3 Ų78.336%0.35739%0.386SS..Hα-helixtrans-62.2-40.4176.272.90000112E11 K17E11-S13 WeakPolarHBondContact CG-OG 3.46Å; E11-S13 PolarHBondContact O-N 2.73Å; E11-S13 PolarHBondContact OE1-OG 3.24Å; E11-S13 PolarHBondContact OE2-OG 2.72Å; S13-K17 WeakPolarHBondContact O-CG 3.47Å; S13-K17 PolarHBondContact O-N 2.83Å
14L88.8Confident82.3Confident0 Ų076.8 Ų76.80%037%0.369CS..Hα-helixtrans-67.1-40.7174.5172.660.6000110.8V10 E11 E12 E16 K17 L18 I32 I34 V43 L45 L112V10-L14 HydrophobicContact CG1-CB 4.33Å; V10-L14 HydrophobicContact CG1-CD2 3.82Å; V10-L14 HydrophobicContact CG1-CG 4.07Å; E11-L14 HydrophobicContact CB-CB 4.26Å; E11-L14 WeakPolarHBondContact O-CB 3.45Å; E11-L14 PolarHBondContact O-N 3.28Å; E11-L14 VanDerWaalsContact O-N 3.1Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.29Å; L14-E16 PolarHBondContact O-N 2.95Å; L14-K17 PolarHBondContact O-N 3.39Å; L14-L18 HydrophobicContact CD1-CD1 3.98Å; L14-L18 HydrophobicContact CD1-CG 3.94Å; L14-L18 HydrophobicContact CG-CD1 3.91Å; L14-L18 HydrophobicContact CG-CG 4.34Å; L14-L18 WeakPolarHBondContact O-CB 3.45Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 2.85Å; L14-I32 HydrophobicContact CD1-CG2 4.49Å; L14-I34 HydrophobicContact CD1-CD1 3.97Å; L14-I34 HydrophobicContact CD1-CG1 3.91Å; L14-I34 HydrophobicContact CD2-CD1 4.32Å; L14-I34 HydrophobicContact CD2-CG1 4.29Å; L14-I34 HydrophobicContact CD2-CG2 3.62Å; L14-V43 HydrophobicContact CD2-CB 4.44Å; L14-V43 HydrophobicContact CD2-CG1 3.83Å; L14-L45 HydrophobicContact CD1-CB 4.02Å; L14-L45 HydrophobicContact CD1-CD1 4.21Å; L14-L112 HydrophobicContact CD2-CD1 4.39Å
15R88.1Confident83.5Confident123 Ų12381.5 Ų81.546%0.46438%0.378SS..Hα-helixtrans-60.5-45.3176.4179.2175-175.9-152.64.5112.1E11 E12 K17 L18 K19 I115E11-R15 PolarHBondContact O-N 3.47Å; E12-R15 WeakPolarHBondContact O-CB 3.34Å; E12-R15 PolarHBondContact O-N 3Å; E12-R15 IonicContact OE1-NH1 3.6Å; E12-R15 IonicContact OE2-NH1 2.63Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.26Å; R15-L18 PolarHBondContact O-N 3.26Å; R15-K19 WeakPolarHBondContact O-CB 3.19Å; R15-K19 PolarHBondContact O-N 3.16Å; R15-I115 HydrophobicContact CB-CG2 4.21Å; R15-I115 HydrophobicContact CG-CG2 3.62Å
16E89.6Confident84.7Confident104 Ų10481.1 Ų81.149%0.48637%0.373SS..Hα-helixtrans-61.8-42175.4-72.3-172.2-179.700111.9E12 L14 K19 K20E12-E16 PolarHBondContact O-N 2.83Å; L14-E16 PolarHBondContact O-N 2.95Å; E16-K19 PolarHBondContact O-N 2.73Å; E16-K20 WeakPolarHBondContact O-CG 3.28Å; E16-K20 PolarHBondContact O-N 2.92Å
17K89Confident85.5Confident73 Ų7382.9 Ų82.932%0.31738%0.384SS..Hα-helixtrans-64.3-46.3176.6-81-171.2166.8-143.50112.5S13 L14 R15 K19 K20 F21 L45 E48S13-K17 WeakPolarHBondContact O-CG 3.47Å; S13-K17 PolarHBondContact O-N 2.83Å; L14-K17 PolarHBondContact O-N 3.39Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.26Å; K17-K19 VanDerWaalsContact C-N 3.26Å; K17-K19 PolarHBondContact O-N 2.77Å; K17-K20 PolarHBondContact O-N 3.49Å; K17-K20 VanDerWaalsContact O-N 3.13Å; K17-F21 VanDerWaalsContact O-CB 3.28Å; K17-F21 WeakPolarHBondContact O-CB 3.41Å; K17-F21 PolarHBondContact O-N 3.07Å; K17-L45 HydrophobicContact CD-CD1 3.5Å; K17-E48 IonicContact NZ-OE2 2.73Å; K17-E48 PolarHBondContact NZ-OE2 3.38Å
18L87.6Confident86.1Confident6 Ų680.8 Ų80.83%0.03137%0.37CS..Hα-helixtrans-58.8-39.6175.9-73.8169.4000111.9L14 R15 F21 R22 I32 I34 V71 L112 A116L14-L18 HydrophobicContact CD1-CD1 3.98Å; L14-L18 HydrophobicContact CD1-CG 3.94Å; L14-L18 HydrophobicContact CG-CD1 3.91Å; L14-L18 HydrophobicContact CG-CG 4.34Å; L14-L18 WeakPolarHBondContact O-CB 3.45Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 2.85Å; R15-L18 PolarHBondContact O-N 3.26Å; L18-F21 PolarHBondContact O-N 3.49Å; L18-R22 PolarHBondContact O-N 3.16Å; L18-I32 HydrophobicContact CD2-CD1 4.42Å; L18-I34 HydrophobicContact CD1-CD1 4.34Å; L18-I34 HydrophobicContact CD2-CD1 4.07Å; L18-V71 HydrophobicContact CD2-CB 4.24Å; L18-V71 HydrophobicContact CD2-CG1 4.36Å; L18-V71 HydrophobicContact CD2-CG2 3.73Å; L18-L112 HydrophobicContact CD1-CD1 3.71Å; L18-A116 HydrophobicContact CB-CB 4.48Å; L18-A116 HydrophobicContact CD1-CB 4.22Å
19K88.3Confident86.4Confident142 Ų14282.2 Ų82.262%0.61738%0.377SS*.Hα-helixtrans-63.8-47.4174.6-170.3176.7-178.7-179.90111.4R15 E16 K17 F21 R22 F23R15-K19 WeakPolarHBondContact O-CB 3.19Å; R15-K19 PolarHBondContact O-N 3.16Å; E16-K19 PolarHBondContact O-N 2.73Å; K17-K19 VanDerWaalsContact C-N 3.26Å; K17-K19 PolarHBondContact O-N 2.77Å; K19-F21 VanDerWaalsContact C-N 3.33Å; K19-F21 PolarHBondContact O-N 3.17Å; K19-R22 PolarHBondContact O-N 3.38Å; K19-F23 HydrophobicContact CG-CD2 4.14Å; K19-F23 HydrophobicContact CG-CE2 4.01Å; K19-F23 WeakPolarHBondContact O-CD2 2.79Å; K19-F23 PolarHBondContact O-N 2.95Å
20K88.4Confident86.8Confident145 Ų14575 Ų7563%0.6334%0.344SS*.Hα-helixtrans-60.1-43.9175.5-73.4172.4-178.2170.10111.5E16 K17 R22 F23 R24E16-K20 WeakPolarHBondContact O-CG 3.28Å; E16-K20 PolarHBondContact O-N 2.92Å; K17-K20 PolarHBondContact O-N 3.49Å; K17-K20 VanDerWaalsContact O-N 3.13Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 2.94Å; K20-F23 CarbonylContact O-C 3.51Å; K20-F23 PolarHBondContact O-N 2.92Å; K20-F23 VanDerWaalsContact O-N 3.12Å; K20-R24 PolarHBondContact O-N 3.24Å
21F87.4Confident86.9Confident9 Ų974 Ų744%0.03934%0.338CS..Hα-helixtrans-62.1-34.8179.9-163.8-106.9000112.7K17 L18 K19 R24 A30 I32 V71 L87K17-F21 VanDerWaalsContact O-CB 3.28Å; K17-F21 WeakPolarHBondContact O-CB 3.41Å; K17-F21 PolarHBondContact O-N 3.07Å; L18-F21 PolarHBondContact O-N 3.49Å; K19-F21 VanDerWaalsContact C-N 3.33Å; K19-F21 PolarHBondContact O-N 3.17Å; F21-R24 WeakPolarHBondContact O-CB 3.45Å; F21-R24 PolarHBondContact O-N 3.43Å; F21-A30 HydrophobicContact CE2-CB 3.45Å; F21-A30 VanDerWaalsContact CE2-CB 3.45Å; F21-A30 HydrophobicContact CZ-CB 3.58Å; F21-I32 HydrophobicContact CB-CD1 3.65Å; F21-I32 HydrophobicContact CD1-CD1 3.88Å; F21-I32 HydrophobicContact CD1-CG1 4.35Å; F21-I32 HydrophobicContact CD2-CD1 3.5Å; F21-I32 VanDerWaalsContact CD2-CD1 3.5Å; F21-I32 HydrophobicContact CD2-CG1 3.87Å; F21-I32 HydrophobicContact CE1-CD1 4.41Å; F21-I32 HydrophobicContact CE1-CG1 4.39Å; F21-I32 HydrophobicContact CE2-CD1 4.04Å; F21-I32 HydrophobicContact CE2-CG1 3.88Å; F21-I32 HydrophobicContact CG-CD1 3.4Å; F21-I32 VanDerWaalsContact CG-CD1 3.4Å; F21-I32 HydrophobicContact CG-CG1 4.12Å; F21-I32 HydrophobicContact CZ-CD1 4.48Å; F21-I32 HydrophobicContact CZ-CG1 4.16Å; F21-V71 HydrophobicContact CD1-CG1 3.89Å; F21-V71 HydrophobicContact CE1-CG1 3.89Å; F21-L87 HydrophobicContact CD1-CD1 3.61Å; F21-L87 HydrophobicContact CD1-CD2 4.43Å; F21-L87 HydrophobicContact CE1-CD1 3.46Å; F21-L87 VanDerWaalsContact CE1-CD1 3.46Å
22R83.9Confident87Confident104 Ų10470.6 Ų70.639%0.39232%0.322SS..Hα-helixtrans-70-35.3174-179.4178.8168.4-157.66.7113.9L18 K19 K20 R24 L87 E117L18-R22 PolarHBondContact O-N 3.16Å; K19-R22 PolarHBondContact O-N 3.38Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 2.94Å; R22-R24 VanDerWaalsContact C-N 3.3Å; R22-L87 HydrophobicContact CB-CD2 3.85Å; R22-L87 HydrophobicContact CG-CD2 4.12Å; R22-E117 IonicContact CZ-OE2 3.73Å; R22-E117 IonicContact NH1-OE1 3.52Å; R22-E117 IonicContact NH1-OE2 3.51Å; R22-E117 PolarHBondContact NH1-OE2 2.99Å; R22-E117 IonicContact NH2-OE2 2.92Å; R22-E117 PolarHBondContact NH2-OE2 2.83Å
23F84.6Confident87Confident131 Ų13165.5 Ų65.558%0.57530%0.298SS*.THydrogen-bonded Turntrans-94.612.8178.4-65.2-68000113.2K19 K20K19-F23 HydrophobicContact CG-CD2 4.14Å; K19-F23 HydrophobicContact CG-CE2 4.01Å; K19-F23 WeakPolarHBondContact O-CD2 2.79Å; K19-F23 PolarHBondContact O-N 2.95Å; K20-F23 CarbonylContact O-C 3.51Å; K20-F23 PolarHBondContact O-N 2.92Å; K20-F23 VanDerWaalsContact O-N 3.12Å
24R81.5Confident87Confident43 Ų4363.1 Ų63.116%0.16228%0.281CS..  trans-56.8135.8177.2-166.6173.6-175.2-107.51.2110K20 F21 R22 E26 N28 E50K20-R24 PolarHBondContact O-N 3.24Å; F21-R24 WeakPolarHBondContact O-CB 3.45Å; F21-R24 PolarHBondContact O-N 3.43Å; R22-R24 VanDerWaalsContact C-N 3.3Å; R24-E26 HydrophobicContact CG-CB 3.99Å; R24-E26 HydrophobicContact CG-CG 4.3Å; R24-E26 WeakPolarHBondContact CG-OE2 3.27Å; R24-E26 IonicContact NE-OE2 2.91Å; R24-N28 PolarHBondContact NH1-O 3.1Å; R24-N28 PolarHBondContact NH1-OD1 2.91Å; R24-N28 PolarHBondContact NH2-OD1 2.8Å; R24-E50 IonicContact CZ-OE1 3.81Å; R24-E50 IonicContact NE-OE1 3.38Å; R24-E50 IonicContact NH2-OE1 3.82Å; R24-E50 PolarHBondContact NH2-OE1 2.98Å
25K80Confident86.8Confident191 Ų19166.2 Ų66.283%0.8330%0.295SS*.  trans-102.9-11.1-178.3-66.6-175.4179.8-179.90112.6
26E84.4Confident86.7Confident101 Ų10160.8 Ų60.847%0.47228%0.275SS..  trans-66142.1-179.6-66.574.4-17700109.8R24 N28R24-E26 HydrophobicContact CG-CB 3.99Å; R24-E26 HydrophobicContact CG-CG 4.3Å; R24-E26 WeakPolarHBondContact CG-OE2 3.27Å; R24-E26 IonicContact NE-OE2 2.91Å; E26-N28 WeakPolarHBondContact CB-OD1 3.38Å
27T82.3Confident86.4Confident81 Ų8157.7 Ų57.750%0.49726%0.262SS..  trans-104.213.3-171.554.30000113.2K75 Y85T27-K75 WeakPolarHBondContact O-CD 3.15Å; T27-Y85 WeakPolarHBondContact CB-OH 3.44Å; T27-Y85 HydrophobicContact CG2-CE2 4.33Å; T27-Y85 VanDerWaalsContact CG2-OH 3.27Å; T27-Y85 WeakPolarHBondContact CG2-OH 3.33Å; T27-Y85 WeakPolarHBondContact O-CE1 3.13Å
28N87.4Confident85.9Confident39 Ų3958.7 Ų58.721%0.20927%0.268CS..SBendtrans-96.6161.6173.760.6-13.2000111.1R24 E26 D51R24-N28 PolarHBondContact NH1-O 3.1Å; R24-N28 PolarHBondContact NH1-OD1 2.91Å; R24-N28 PolarHBondContact NH2-OD1 2.8Å; E26-N28 WeakPolarHBondContact CB-OD1 3.38Å; N28-D51 HydrophobicContact CB-CB 4.27Å; N28-D51 WeakPolarHBondContact CB-OD1 3.31Å; N28-D51 PolarHBondContact ND2-N 3.46Å
29N88.3Confident85.7Confident32 Ų3263 Ų6317%0.17131%0.305CS..  trans-66.8147.7170.8-63.8-23.3000109.2D51 I52 Y72 S73 K75N29-D51 WeakPolarHBondContact O-CA 3.49Å; N29-D51 PolarHBondContact O-N 2.99Å; N29-I52 WeakPolarHBondContact CB-O 3.46Å; N29-Y72 HydrophobicContact CB-CE2 4.33Å; N29-Y72 PolarHBondContact ND2-OH 2.79Å; N29-S73 WeakPolarHBondContact CA-O 3.48Å; N29-K75 VanDerWaalsContact OD1-CB 3.23Å; N29-K75 WeakPolarHBondContact OD1-CB 3.4Å; N29-K75 PolarHBondContact OD1-N 3.28Å
30A90.3Very high85.4Confident1 Ų163.3 Ų63.31%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-150.7153.817400000110.3F21 F49 Y72 S73F21-A30 HydrophobicContact CE2-CB 3.45Å; F21-A30 VanDerWaalsContact CE2-CB 3.45Å; F21-A30 HydrophobicContact CZ-CB 3.58Å; A30-F49 CarbonylContact C-O 3.57Å; A30-F49 VanDerWaalsContact CA-O 3.27Å; A30-F49 WeakPolarHBondContact CA-O 3.19Å; A30-F49 WeakPolarHBondContact CB-O 3.2Å; A30-Y72 WeakPolarHBondContact O-CA 3.39Å; A30-Y72 WeakPolarHBondContact O-CD2 3.49Å; A30-S73 PolarHBondContact N-O 2.79Å; A30-S73 VanDerWaalsContact N-O 3.1Å; A30-S73 PolarHBondContact O-N 2.61Å
31A89.9Confident85.1Confident0 Ų061.3 Ų61.30%030%0.299CS..EExtended strand (participates in β ladder)trans-134.4140.9-179.900000110.5F49 I52 L57 V71 Y72A31-F49 HydrophobicContact CB-CB 4.23Å; A31-F49 HydrophobicContact CB-CD2 4.39Å; A31-F49 PolarHBondContact N-O 2.85Å; A31-F49 PolarHBondContact O-N 2.94Å; A31-I52 HydrophobicContact CB-CG2 3.8Å; A31-L57 HydrophobicContact CB-CD1 3.66Å; A31-L57 HydrophobicContact CB-CD2 3.77Å; A31-L57 HydrophobicContact CB-CG 4.35Å; A31-V71 CarbonylContact C-O 3.57Å; A31-V71 WeakPolarHBondContact CA-O 3.31Å; A31-Y72 HydrophobicContact CB-CD2 3.79Å; A31-Y72 HydrophobicContact CB-CE2 4.38Å
32I90.1Very high85.1Confident0 Ų063.4 Ų63.40%031%0.311CS..EExtended strand (participates in β ladder)trans-116121165.5-60.5179000107.7L14 L18 F21 I34 L45 E48 I70 V71L14-I32 HydrophobicContact CD1-CG2 4.49Å; L18-I32 HydrophobicContact CD2-CD1 4.42Å; F21-I32 HydrophobicContact CB-CD1 3.65Å; F21-I32 HydrophobicContact CD1-CD1 3.88Å; F21-I32 HydrophobicContact CD1-CG1 4.35Å; F21-I32 HydrophobicContact CD2-CD1 3.5Å; F21-I32 VanDerWaalsContact CD2-CD1 3.5Å; F21-I32 HydrophobicContact CD2-CG1 3.87Å; F21-I32 HydrophobicContact CE1-CD1 4.41Å; F21-I32 HydrophobicContact CE1-CG1 4.39Å; F21-I32 HydrophobicContact CE2-CD1 4.04Å; F21-I32 HydrophobicContact CE2-CG1 3.88Å; F21-I32 HydrophobicContact CG-CD1 3.4Å; F21-I32 VanDerWaalsContact CG-CD1 3.4Å; F21-I32 HydrophobicContact CG-CG1 4.12Å; F21-I32 HydrophobicContact CZ-CD1 4.48Å; F21-I32 HydrophobicContact CZ-CG1 4.16Å; I32-I34 HydrophobicContact CG2-CD1 4.3Å; I32-I34 HydrophobicContact CG2-CG1 3.8Å; I32-L45 HydrophobicContact CG2-CD1 3.55Å; I32-L45 HydrophobicContact CG2-CG 4.21Å; I32-E48 HydrophobicContact CG1-CG 4.23Å; I32-I70 WeakPolarHBondContact O-CA 3.47Å; I32-V71 HydrophobicContact CB-CB 4.34Å; I32-V71 PolarHBondContact N-O 2.92Å; I32-V71 PolarHBondContact O-N 3.44Å
33L88.3Confident85.2Confident0 Ų058.4 Ų58.40%029%0.292CS..EExtended strand (participates in β ladder)trans-89.8126.3170.5-70.3-165.7000109.5E46 E47 F49 L57 L61 Y68 I70L33-E46 HydrophobicContact CB-CB 4.28Å; L33-E46 PolarHBondContact O-N 3.1Å; L33-E47 HydrophobicContact CB-CB 4.24Å; L33-E47 HydrophobicContact CD1-CB 4.44Å; L33-E47 PolarHBondContact N-O 3.13Å; L33-E47 PolarHBondContact O-N 2.96Å; L33-F49 HydrophobicContact CD1-CE2 3.64Å; L33-F49 HydrophobicContact CD1-CZ 4.44Å; L33-F49 HydrophobicContact CG-CD2 4.33Å; L33-F49 HydrophobicContact CG-CE2 3.87Å; L33-L57 HydrophobicContact CD2-CD1 4.02Å; L33-L57 HydrophobicContact CG-CD1 4.32Å; L33-L61 HydrophobicContact CD1-CD2 4.2Å; L33-L61 HydrophobicContact CD2-CD2 3.79Å; L33-Y68 HydrophobicContact CB-CD1 3.55Å; L33-Y68 HydrophobicContact CB-CE1 3.78Å; L33-Y68 HydrophobicContact CB-CG 4.43Å; L33-Y68 HydrophobicContact CD1-CD1 4.05Å; L33-Y68 HydrophobicContact CD1-CE1 3.86Å; L33-Y68 HydrophobicContact CD1-CG 4.49Å; L33-Y68 HydrophobicContact CD2-CD1 3.91Å; L33-Y68 HydrophobicContact CD2-CG 3.94Å; L33-Y68 HydrophobicContact CG-CD1 4.04Å; L33-Y68 HydrophobicContact CG-CE1 4.28Å; L33-I70 HydrophobicContact CD2-CB 4.42Å; L33-I70 HydrophobicContact CD2-CD1 4.33Å; L33-I70 HydrophobicContact CD2-CG1 3.76Å; L33-I70 HydrophobicContact CD2-CG2 4.27Å
34I88.2Confident85.4Confident0 Ų053.8 Ų53.80%027%0.273CS..EExtended strand (participates in β ladder)trans-124.5131.1-177.3-57.1168.8000108.9L14 L18 I32 V43 I44 Y68 H69 V71 L112L14-I34 HydrophobicContact CD1-CD1 3.97Å; L14-I34 HydrophobicContact CD1-CG1 3.91Å; L14-I34 HydrophobicContact CD2-CD1 4.32Å; L14-I34 HydrophobicContact CD2-CG1 4.29Å; L14-I34 HydrophobicContact CD2-CG2 3.62Å; L18-I34 HydrophobicContact CD1-CD1 4.34Å; L18-I34 HydrophobicContact CD2-CD1 4.07Å; I32-I34 HydrophobicContact CG2-CD1 4.3Å; I32-I34 HydrophobicContact CG2-CG1 3.8Å; I34-V43 HydrophobicContact CG2-CG1 3.2Å; I34-I44 WeakPolarHBondContact CG2-O 3.48Å; I34-Y68 WeakPolarHBondContact O-CA 3.45Å; I34-H69 HydrophobicContact CB-CB 4.02Å; I34-H69 VanDerWaalsContact CB-O 3.28Å; I34-H69 WeakPolarHBondContact CB-O 3.41Å; I34-H69 HydrophobicContact CD1-CB 4.45Å; I34-H69 HydrophobicContact CG2-CB 4.39Å; I34-H69 PolarHBondContact N-O 3.01Å; I34-H69 PolarHBondContact O-N 3.49Å; I34-V71 HydrophobicContact CD1-CG2 3.88Å; I34-L112 HydrophobicContact CD1-CD1 4.35Å; I34-L112 HydrophobicContact CD1-CD2 3.9Å; I34-L112 HydrophobicContact CG2-CD2 4.1Å
35K86.2Confident85.8Confident66 Ų6653.6 Ų53.629%0.28728%0.275SS..EExtended strand (participates in β ladder)trans-119.6165.6175.369.4171.5152.3-158.40111.4V43 I44 E46K35-V43 CarbonylContact O-C 3.54Å; K35-V43 WeakPolarHBondContact O-CA 3.27Å; K35-I44 HydrophobicContact CD-CD1 4.16Å; K35-I44 HydrophobicContact CD-CG1 4.32Å; K35-I44 HydrophobicContact CG-CD1 3.98Å; K35-I44 HydrophobicContact CG-CG1 3.58Å; K35-I44 PolarHBondContact N-O 2.85Å; K35-I44 PolarHBondContact O-N 3.45Å; K35-I44 VanDerWaalsContact O-O 3.05Å; K35-E46 HydrophobicContact CB-CB 4.4Å; K35-E46 WeakPolarHBondContact CB-OE2 3.27Å; K35-E46 HydrophobicContact CD-CB 4.28Å; K35-E46 HydrophobicContact CD-CG 4.41Å; K35-E46 VanDerWaalsContact CD-OE2 3.28Å; K35-E46 WeakPolarHBondContact CD-OE2 3.48Å; K35-E46 WeakPolarHBondContact CE-OE1 3.39Å; K35-E46 HydrophobicContact CG-CB 4.05Å; K35-E46 VanDerWaalsContact NZ-CD 3.35Å; K35-E46 IonicContact NZ-OE1 2.7Å; K35-E46 PolarHBondContact NZ-OE1 2.89Å; K35-E46 IonicContact NZ-OE2 3.86Å
36I85Confident86.1Confident8 Ų847.1 Ų47.14%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-107.4120.7168.6-51.5-169.5000108.7C8 M38 L42 V43 Y105C8-I36 HydrophobicContact CB-CD1 4.32Å; C8-I36 HydrophobicContact CB-CG2 3.87Å; C8-I36 WeakPolarHBondContact SG-CG2 3.45Å; I36-M38 PolarHBondContact O-N 3.06Å; I36-L42 CarbonylContact C-O 3.59Å; I36-L42 WeakPolarHBondContact CA-O 3.49Å; I36-V43 HydrophobicContact CD1-CG2 4.1Å; I36-V43 HydrophobicContact CG1-CG1 4.47Å; I36-V43 HydrophobicContact CG1-CG2 4.04Å; I36-Y105 HydrophobicContact CB-CD2 3.85Å; I36-Y105 HydrophobicContact CB-CE1 4.45Å; I36-Y105 HydrophobicContact CB-CE2 3.32Å; I36-Y105 HydrophobicContact CD1-CD1 4.12Å; I36-Y105 HydrophobicContact CD1-CD2 3.21Å; I36-Y105 HydrophobicContact CD1-CE1 4.44Å; I36-Y105 HydrophobicContact CD1-CE2 3.71Å; I36-Y105 HydrophobicContact CD1-CG 3.57Å; I36-Y105 HydrophobicContact CG1-CD1 4.03Å; I36-Y105 HydrophobicContact CG1-CD2 3.45Å; I36-Y105 VanDerWaalsContact CG1-CD2 3.45Å; I36-Y105 HydrophobicContact CG1-CE1 3.85Å; I36-Y105 HydrophobicContact CG1-CE2 3.37Å; I36-Y105 HydrophobicContact CG1-CG 3.9Å; I36-Y105 HydrophobicContact CG2-CE2 4.46Å; I36-Y105 VanDerWaalsContact N-CZ 3.3Å; I36-Y105 PolarHBondContact N-OH 3.03Å
37D84.5Confident86.2Confident40 Ų4046.5 Ų46.521%0.21425%0.245CC..EExtended strand (participates in β ladder)trans-72105.8166.7-175.1-22.3000108.4A39 K40 Q41 L42 I44D37-A39 VanDerWaalsContact C-N 3.26Å; D37-A39 PolarHBondContact O-N 2.98Å; D37-A39 WeakPolarHBondContact OD1-CB 3.42Å; D37-A39 PolarHBondContact OD1-N 3.49Å; D37-K40 HydrophobicContact CB-CB 4.31Å; D37-K40 PolarHBondContact O-N 3.43Å; D37-K40 PolarHBondContact OD1-N 3.25Å; D37-K40 WeakPolarHBondContact OD2-CD 3.39Å; D37-Q41 VanDerWaalsContact O-CA 3.27Å; D37-Q41 WeakPolarHBondContact O-CA 3.49Å; D37-Q41 PolarHBondContact O-N 2.75Å; D37-L42 PolarHBondContact N-O 3.19Å; D37-L42 PolarHBondContact O-N 3.17Å; D37-I44 HydrophobicContact CB-CD1 4.01Å; D37-I44 HydrophobicContact CB-CG1 4.46Å
38M77.9Confident86.6Confident93 Ų9346.5 Ų46.546%0.45824%0.239SC..THydrogen-bonded Turntrans-67.5-25.7-179.6-64.6-175-63.300113.1I36 Q101 M104I36-M38 PolarHBondContact O-N 3.06Å; M38-Q101 HydrophobicContact SD-CG 3.48Å; M38-Q101 WeakPolarHBondContact SD-CG 3.38Å; M38-Q101 PolarHBondContact SD-NE2 2.87Å; M38-M104 HydrophobicContact CG-CE 4.49Å; M38-M104 HydrophobicContact CG-SD 4.38Å; M38-M104 HydrophobicContact SD-CE 4.43Å
39A82Confident86.6Confident98 Ų9846.4 Ų46.481%0.8124%0.237SC*.THydrogen-bonded Turntrans-73.9-36.2179.300000110.8D37D37-A39 VanDerWaalsContact C-N 3.26Å; D37-A39 PolarHBondContact O-N 2.98Å; D37-A39 WeakPolarHBondContact OD1-CB 3.42Å; D37-A39 PolarHBondContact OD1-N 3.49Å
40K82.8Confident86.6Confident147 Ų14750.5 Ų50.564%0.63926%0.255SS*.THydrogen-bonded Turntrans-97-10.8179.2-61.9-178.6-173.8168.40114.1D37 L42D37-K40 HydrophobicContact CB-CB 4.31Å; D37-K40 PolarHBondContact O-N 3.43Å; D37-K40 PolarHBondContact OD1-N 3.25Å; D37-K40 WeakPolarHBondContact OD2-CD 3.39Å; K40-L42 HydrophobicContact CB-CB 4.21Å; K40-L42 HydrophobicContact CB-CD1 4.06Å; K40-L42 HydrophobicContact CB-CG 4.19Å; K40-L42 PolarHBondContact O-N 2.95Å
41Q81.8Confident86.4Confident103 Ų10356.2 Ų56.248%0.48129%0.285SS..THydrogen-bonded Turntrans52.242.5-171-58.6179.9-46.400111.9V6 C8 E9 D37V6-Q41 HydrophobicContact CG1-CG 4.32Å; V6-Q41 VanDerWaalsContact CG1-NE2 3.29Å; C8-Q41 WeakPolarHBondContact CA-O 3.28Å; C8-Q41 WeakPolarHBondContact CB-O 3.32Å; E9-Q41 PolarHBondContact N-O 3.25Å; D37-Q41 VanDerWaalsContact O-CA 3.27Å; D37-Q41 WeakPolarHBondContact O-CA 3.49Å; D37-Q41 PolarHBondContact O-N 2.75Å
42L86.9Confident86.3Confident53 Ų5356.9 Ų56.928%0.27729%0.289SS..EExtended strand (participates in β ladder)trans-123.5137.2-177.6-75.9174000111.3E9 I36 D37 K40 I44E9-L42 HydrophobicContact CB-CD2 3.85Å; E9-L42 CarbonylContact O-C 3.57Å; E9-L42 WeakPolarHBondContact O-CA 3.37Å; E9-L42 WeakPolarHBondContact O-CD2 3.41Å; I36-L42 CarbonylContact C-O 3.59Å; I36-L42 WeakPolarHBondContact CA-O 3.49Å; D37-L42 PolarHBondContact N-O 3.19Å; D37-L42 PolarHBondContact O-N 3.17Å; K40-L42 HydrophobicContact CB-CB 4.21Å; K40-L42 HydrophobicContact CB-CD1 4.06Å; K40-L42 HydrophobicContact CB-CG 4.19Å; K40-L42 PolarHBondContact O-N 2.95Å; L42-I44 HydrophobicContact CB-CG2 4.19Å
43V87.9Confident86.1Confident0 Ų058.7 Ų58.70%030%0.301CS..EExtended strand (participates in β ladder)trans-82.4116.1170.6-169.40000107.9C8 E9 V10 E11 L14 I34 K35 I36 L112C8-V43 HydrophobicContact CB-CG2 3.94Å; E9-V43 PolarHBondContact O-N 3.25Å; V10-V43 HydrophobicContact CB-CB 4.44Å; V10-V43 HydrophobicContact CG2-CB 4.11Å; V10-V43 HydrophobicContact CG2-CG2 4.12Å; E11-V43 WeakPolarHBondContact CB-O 3.48Å; E11-V43 PolarHBondContact N-O 3.28Å; L14-V43 HydrophobicContact CD2-CB 4.44Å; L14-V43 HydrophobicContact CD2-CG1 3.83Å; I34-V43 HydrophobicContact CG2-CG1 3.2Å; K35-V43 CarbonylContact O-C 3.54Å; K35-V43 WeakPolarHBondContact O-CA 3.27Å; I36-V43 HydrophobicContact CD1-CG2 4.1Å; I36-V43 HydrophobicContact CG1-CG1 4.47Å; I36-V43 HydrophobicContact CG1-CG2 4.04Å; V43-L112 HydrophobicContact CG1-CD1 4.3Å; V43-L112 HydrophobicContact CG1-CD2 4.29Å
44I88.5Confident85.9Confident33 Ų3358.9 Ų58.917%0.16930%0.302CS..EExtended strand (participates in β ladder)trans-123154-174.262.2171.2000110.2E11 I34 K35 D37 L42 E46E11-I44 HydrophobicContact CB-CG2 4.33Å; E11-I44 WeakPolarHBondContact OE2-CG2 3.36Å; I34-I44 WeakPolarHBondContact CG2-O 3.48Å; K35-I44 HydrophobicContact CD-CD1 4.16Å; K35-I44 HydrophobicContact CD-CG1 4.32Å; K35-I44 HydrophobicContact CG-CD1 3.98Å; K35-I44 HydrophobicContact CG-CG1 3.58Å; K35-I44 PolarHBondContact N-O 2.85Å; K35-I44 PolarHBondContact O-N 3.45Å; K35-I44 VanDerWaalsContact O-O 3.05Å; D37-I44 HydrophobicContact CB-CD1 4.01Å; D37-I44 HydrophobicContact CB-CG1 4.46Å; L42-I44 HydrophobicContact CB-CG2 4.19Å; I44-E46 PolarHBondContact O-N 3.26Å
45L88.9Confident85.7Confident39 Ų3961.7 Ų61.720%0.20432%0.317CS..EExtended strand (participates in β ladder)trans-69.6129.7169.4-174.9134.9000109L14 K17 I32L14-L45 HydrophobicContact CD1-CB 4.02Å; L14-L45 HydrophobicContact CD1-CD1 4.21Å; K17-L45 HydrophobicContact CD-CD1 3.5Å; I32-L45 HydrophobicContact CG2-CD1 3.55Å; I32-L45 HydrophobicContact CG2-CG 4.21Å
46E86.9Confident85.6Confident55 Ų5562.5 Ų62.526%0.25733%0.325SS..EExtended strand (participates in β ladder)trans-88.3-64.4169.2-179.2133.8-13600109.4L33 K35 I44 Y68L33-E46 HydrophobicContact CB-CB 4.28Å; L33-E46 PolarHBondContact O-N 3.1Å; K35-E46 HydrophobicContact CB-CB 4.4Å; K35-E46 WeakPolarHBondContact CB-OE2 3.27Å; K35-E46 HydrophobicContact CD-CB 4.28Å; K35-E46 HydrophobicContact CD-CG 4.41Å; K35-E46 VanDerWaalsContact CD-OE2 3.28Å; K35-E46 WeakPolarHBondContact CD-OE2 3.48Å; K35-E46 WeakPolarHBondContact CE-OE1 3.39Å; K35-E46 HydrophobicContact CG-CB 4.05Å; K35-E46 VanDerWaalsContact NZ-CD 3.35Å; K35-E46 IonicContact NZ-OE1 2.7Å; K35-E46 PolarHBondContact NZ-OE1 2.89Å; K35-E46 IonicContact NZ-OE2 3.86Å; I44-E46 PolarHBondContact O-N 3.26Å; E46-Y68 HydrophobicContact CB-CE1 3.91Å; E46-Y68 HydrophobicContact CG-CE1 3.84Å; E46-Y68 WeakPolarHBondContact OE2-CE1 3.16Å; E46-Y68 PolarHBondContact OE2-OH 3.47Å
47E87.3Confident85.6Confident89 Ų8962.1 Ų62.142%0.41632%0.323SS..EExtended strand (participates in β ladder)trans-144.7154.1-173.5-72.1-179.7174.100110.7L33 F49L33-E47 HydrophobicContact CB-CB 4.24Å; L33-E47 HydrophobicContact CD1-CB 4.44Å; L33-E47 PolarHBondContact N-O 3.13Å; L33-E47 PolarHBondContact O-N 2.96Å; E47-F49 HydrophobicContact CB-CE2 3.81Å; E47-F49 HydrophobicContact CB-CZ 4.17Å; E47-F49 WeakPolarHBondContact OE2-CZ 3.36Å
48E88.8Confident85.5Confident80 Ų8063.4 Ų63.437%0.37433%0.325SS..EExtended strand (participates in β ladder)trans-130.5127.1178177.8171.7-168.100107.6K17 I32K17-E48 IonicContact NZ-OE2 2.73Å; K17-E48 PolarHBondContact NZ-OE2 3.38Å; I32-E48 HydrophobicContact CG1-CG 4.23Å
49F88.2Confident85.6Confident38 Ų3864.4 Ų64.417%0.16733%0.332CS..EExtended strand (participates in β ladder)trans-117.2132.1-178.3-63.9-83.9000109.6A30 A31 L33 E47 I52 L57 E60A30-F49 CarbonylContact C-O 3.57Å; A30-F49 VanDerWaalsContact CA-O 3.27Å; A30-F49 WeakPolarHBondContact CA-O 3.19Å; A30-F49 WeakPolarHBondContact CB-O 3.2Å; A31-F49 HydrophobicContact CB-CB 4.23Å; A31-F49 HydrophobicContact CB-CD2 4.39Å; A31-F49 PolarHBondContact N-O 2.85Å; A31-F49 PolarHBondContact O-N 2.94Å; L33-F49 HydrophobicContact CD1-CE2 3.64Å; L33-F49 HydrophobicContact CD1-CZ 4.44Å; L33-F49 HydrophobicContact CG-CD2 4.33Å; L33-F49 HydrophobicContact CG-CE2 3.87Å; E47-F49 HydrophobicContact CB-CE2 3.81Å; E47-F49 HydrophobicContact CB-CZ 4.17Å; E47-F49 WeakPolarHBondContact OE2-CZ 3.36Å; F49-I52 HydrophobicContact CB-CB 3.87Å; F49-I52 HydrophobicContact CB-CD1 3.95Å; F49-I52 HydrophobicContact CB-CG2 3.52Å; F49-I52 HydrophobicContact CD1-CD1 3.54Å; F49-I52 HydrophobicContact CD2-CD1 4.3Å; F49-I52 HydrophobicContact CE1-CD1 4.05Å; F49-I52 HydrophobicContact CG-CD1 3.67Å; F49-I52 HydrophobicContact CG-CG2 4.35Å; F49-L57 HydrophobicContact CD2-CD1 3.92Å; F49-L57 HydrophobicContact CE2-CD1 4.14Å; F49-E60 HydrophobicContact CE1-CG 3.95Å; F49-E60 HydrophobicContact CZ-CB 3.96Å; F49-E60 HydrophobicContact CZ-CG 3.91Å
50E88.1Confident85.5Confident118 Ų11864.9 Ų64.955%0.55132%0.317SS*.EExtended strand (participates in β ladder)trans-110.3139.4169.3-59.5-156.9120.300109.4R24 I52R24-E50 IonicContact CZ-OE1 3.81Å; R24-E50 IonicContact NE-OE1 3.38Å; R24-E50 IonicContact NH2-OE1 3.82Å; R24-E50 PolarHBondContact NH2-OE1 2.98Å; E50-I52 VanDerWaalsContact C-N 3.35Å; E50-I52 PolarHBondContact O-N 3.02Å
51D87.1Confident85Confident121 Ų12158.3 Ų58.365%0.64729%0.289SS*.SBendtrans58.939.7-179.4-150.725.5000114.8N28 N29N28-D51 HydrophobicContact CB-CB 4.27Å; N28-D51 WeakPolarHBondContact CB-OD1 3.31Å; N28-D51 PolarHBondContact ND2-N 3.46Å; N29-D51 WeakPolarHBondContact O-CA 3.49Å; N29-D51 PolarHBondContact O-N 2.99Å
52I86.7Confident84.3Confident14 Ų1455.7 Ų55.77%0.07228%0.281CS..  trans-100.4139.3178.1-162.4164.5000111.6N29 A31 F49 E50 D56 L57 E60 Y72N29-I52 WeakPolarHBondContact CB-O 3.46Å; A31-I52 HydrophobicContact CB-CG2 3.8Å; F49-I52 HydrophobicContact CB-CB 3.87Å; F49-I52 HydrophobicContact CB-CD1 3.95Å; F49-I52 HydrophobicContact CB-CG2 3.52Å; F49-I52 HydrophobicContact CD1-CD1 3.54Å; F49-I52 HydrophobicContact CD2-CD1 4.3Å; F49-I52 HydrophobicContact CE1-CD1 4.05Å; F49-I52 HydrophobicContact CG-CD1 3.67Å; F49-I52 HydrophobicContact CG-CG2 4.35Å; E50-I52 VanDerWaalsContact C-N 3.35Å; E50-I52 PolarHBondContact O-N 3.02Å; I52-D56 HydrophobicContact CD1-CB 4.13Å; I52-D56 HydrophobicContact CG1-CB 3.63Å; I52-L57 HydrophobicContact CD1-CB 4.09Å; I52-L57 HydrophobicContact CD1-CD1 4.16Å; I52-L57 HydrophobicContact CG1-CB 4.29Å; I52-E60 HydrophobicContact CD1-CG 4.26Å; I52-Y72 HydrophobicContact CG2-CE2 4.36Å; I52-Y72 PolarHBondContact O-OH 3.12Å
53S86.3Confident83Confident38 Ų3860.6 Ų60.627%0.26630%0.302SS..  trans-81.9163.6169.677.30000111.2D55 D56 L57S53-D55 VanDerWaalsContact C-N 3.28Å; S53-D55 PolarHBondContact O-N 2.54Å; S53-D56 WeakPolarHBondContact CB-OD2 3.12Å; S53-D56 PolarHBondContact O-N 3.49Å; S53-D56 WeakPolarHBondContact OG-CB 2.83Å; S53-D56 PolarHBondContact OG-N 2.89Å; S53-D56 VanDerWaalsContact OG-N 3.09Å; S53-D56 PolarHBondContact OG-OD2 3.29Å; S53-L57 VanDerWaalsContact O-CB 3.31Å; S53-L57 WeakPolarHBondContact O-CB 3.16Å; S53-L57 PolarHBondContact O-N 3.15Å
54L83.3Confident81.4Confident3 Ų371.3 Ų71.32%0.01634%0.343CS..Hα-helixtrans-65.8-33.9174.5-81174.6000112.5L57 R58 Y72 L130 L135L54-L57 HydrophobicContact CD2-CD2 4.16Å; L54-L57 PolarHBondContact O-N 3.03Å; L54-R58 WeakPolarHBondContact O-CB 3.48Å; L54-R58 PolarHBondContact O-N 3.01Å; L54-Y72 HydrophobicContact CD1-CD1 4.48Å; L54-Y72 HydrophobicContact CD1-CE1 3.96Å; L54-Y72 HydrophobicContact CD2-CD1 3.73Å; L54-Y72 HydrophobicContact CD2-CD2 4.19Å; L54-Y72 HydrophobicContact CD2-CE1 3.59Å; L54-Y72 HydrophobicContact CD2-CE2 4.12Å; L54-Y72 HydrophobicContact CD2-CG 4.02Å; L54-Y72 HydrophobicContact CG-CD1 4.14Å; L54-Y72 HydrophobicContact CG-CE1 3.51Å; L54-Y72 HydrophobicContact CG-CE2 4.42Å; L54-L130 HydrophobicContact CD2-CD2 4.46Å; L54-L130 HydrophobicContact CD2-CG 4.2Å; L54-L135 HydrophobicContact CD1-CB 3.55Å; L54-L135 HydrophobicContact CD1-CD2 3.61Å; L54-L135 HydrophobicContact CD1-CG 4.18Å
55D84.3Confident79.8Confident60 Ų6076.1 Ų76.132%0.32137%0.365SS..Hα-helixtrans-67.3-39.2177.3-71.5-65.1000111.9S53 R58 N59S53-D55 VanDerWaalsContact C-N 3.28Å; S53-D55 PolarHBondContact O-N 2.54Å; D55-R58 WeakPolarHBondContact O-CB 3.35Å; D55-R58 PolarHBondContact O-N 3.33Å; D55-R58 IonicContact OD1-CZ 2.73Å; D55-R58 IonicContact OD1-NH1 3.91Å; D55-R58 IonicContact OD1-NH2 3.2Å; D55-R58 PolarHBondContact OD1-NH2 3.12Å; D55-R58 VanDerWaalsContact OD1-NH2 3.08Å; D55-N59 VanDerWaalsContact O-CG 3.28Å; D55-N59 PolarHBondContact O-N 2.78Å; D55-N59 PolarHBondContact O-ND2 3.35Å; D55-N59 VanDerWaalsContact O-ND2 3.17Å
56D85.5Confident78.1Confident82 Ų8275.3 Ų75.344%0.43936%0.362SS..Hα-helixtrans-69.1-44.5174.2-61.7-41.4000110.7I52 S53 R58 N59 E60I52-D56 HydrophobicContact CD1-CB 4.13Å; I52-D56 HydrophobicContact CG1-CB 3.63Å; S53-D56 WeakPolarHBondContact CB-OD2 3.12Å; S53-D56 PolarHBondContact O-N 3.49Å; S53-D56 WeakPolarHBondContact OG-CB 2.83Å; S53-D56 PolarHBondContact OG-N 2.89Å; S53-D56 VanDerWaalsContact OG-N 3.09Å; S53-D56 PolarHBondContact OG-OD2 3.29Å; D56-R58 PolarHBondContact O-N 3.1Å; D56-N59 WeakPolarHBondContact O-CA 3.21Å; D56-N59 WeakPolarHBondContact O-CB 3.14Å; D56-N59 PolarHBondContact O-N 3.43Å; D56-E60 PolarHBondContact O-N 3Å
57L83.9Confident76.9Confident0 Ų073 Ų730%035%0.351CS..Hα-helixtrans-57.8-39.4175.5-174.467.7000111.1A31 L33 F49 I52 S53 L54 N59 E60 L61 I70 Y72 L130A31-L57 HydrophobicContact CB-CD1 3.66Å; A31-L57 HydrophobicContact CB-CD2 3.77Å; A31-L57 HydrophobicContact CB-CG 4.35Å; L33-L57 HydrophobicContact CD2-CD1 4.02Å; L33-L57 HydrophobicContact CG-CD1 4.32Å; F49-L57 HydrophobicContact CD2-CD1 3.92Å; F49-L57 HydrophobicContact CE2-CD1 4.14Å; I52-L57 HydrophobicContact CD1-CB 4.09Å; I52-L57 HydrophobicContact CD1-CD1 4.16Å; I52-L57 HydrophobicContact CG1-CB 4.29Å; S53-L57 VanDerWaalsContact O-CB 3.31Å; S53-L57 WeakPolarHBondContact O-CB 3.16Å; S53-L57 PolarHBondContact O-N 3.15Å; L54-L57 HydrophobicContact CD2-CD2 4.16Å; L54-L57 PolarHBondContact O-N 3.03Å; L57-N59 VanDerWaalsContact C-N 3.3Å; L57-N59 PolarHBondContact O-N 3.12Å; L57-E60 PolarHBondContact O-N 3.13Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.47Å; L57-L61 PolarHBondContact O-N 3.01Å; L57-L61 VanDerWaalsContact O-N 3.1Å; L57-I70 HydrophobicContact CD2-CG2 3.71Å; L57-Y72 HydrophobicContact CD2-CD2 4.17Å; L57-L130 HydrophobicContact CD2-CD2 4.37Å
58R81.6Confident75.7Confident68 Ų6869.8 Ų69.826%0.25734%0.335SS..Hα-helixtrans-58.6-41.8173.5178.1-170.962.9-154.1-14.5111.7L54 D55 D56 E60 L61 A127L54-R58 WeakPolarHBondContact O-CB 3.48Å; L54-R58 PolarHBondContact O-N 3.01Å; D55-R58 WeakPolarHBondContact O-CB 3.35Å; D55-R58 PolarHBondContact O-N 3.33Å; D55-R58 IonicContact OD1-CZ 2.73Å; D55-R58 IonicContact OD1-NH1 3.91Å; D55-R58 IonicContact OD1-NH2 3.2Å; D55-R58 PolarHBondContact OD1-NH2 3.12Å; D55-R58 VanDerWaalsContact OD1-NH2 3.08Å; D56-R58 PolarHBondContact O-N 3.1Å; R58-E60 VanDerWaalsContact C-N 3.3Å; R58-E60 PolarHBondContact O-N 3.28Å; R58-L61 WeakPolarHBondContact O-CB 3.28Å; R58-L61 PolarHBondContact O-N 3.48Å; R58-A127 WeakPolarHBondContact CG-O 3.32Å
59N81.7Confident74.8Confident113 Ų11366 Ų6660%0.60432%0.317SS*.Hα-helixtrans-69-30.7179.8-61-32000112.4D55 D56 L57 L61D55-N59 VanDerWaalsContact O-CG 3.28Å; D55-N59 PolarHBondContact O-N 2.78Å; D55-N59 PolarHBondContact O-ND2 3.35Å; D55-N59 VanDerWaalsContact O-ND2 3.17Å; D56-N59 WeakPolarHBondContact O-CA 3.21Å; D56-N59 WeakPolarHBondContact O-CB 3.14Å; D56-N59 PolarHBondContact O-N 3.43Å; L57-N59 VanDerWaalsContact C-N 3.3Å; L57-N59 PolarHBondContact O-N 3.12Å; N59-L61 VanDerWaalsContact C-N 3.3Å
60E78.4Confident74.6Confident108 Ų10864.1 Ų64.151%0.50531%0.309SS..Hα-helixtrans-74.7-20.7173.8-62.4-60.4154.100112.4F49 I52 D56 L57 R58 P62F49-E60 HydrophobicContact CE1-CG 3.95Å; F49-E60 HydrophobicContact CZ-CB 3.96Å; F49-E60 HydrophobicContact CZ-CG 3.91Å; I52-E60 HydrophobicContact CD1-CG 4.26Å; D56-E60 PolarHBondContact O-N 3Å; L57-E60 PolarHBondContact O-N 3.13Å; R58-E60 VanDerWaalsContact C-N 3.3Å; R58-E60 PolarHBondContact O-N 3.28Å; E60-P62 VanDerWaalsContact O-CD 3.31Å; E60-P62 WeakPolarHBondContact O-CD 3.33Å
61L73.8Confident74.6Confident10 Ų1058.6 Ų58.65%0.05228%0.283CS..SBendtrans-76.8121.1178.8-70.6168.2000111.3L33 L57 R58 N59 E63 Y68 I70 L130L33-L61 HydrophobicContact CD1-CD2 4.2Å; L33-L61 HydrophobicContact CD2-CD2 3.79Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.47Å; L57-L61 PolarHBondContact O-N 3.01Å; L57-L61 VanDerWaalsContact O-N 3.1Å; R58-L61 WeakPolarHBondContact O-CB 3.28Å; R58-L61 PolarHBondContact O-N 3.48Å; N59-L61 VanDerWaalsContact C-N 3.3Å; L61-E63 PolarHBondContact O-N 2.75Å; L61-Y68 HydrophobicContact CD2-CD2 3.24Å; L61-Y68 HydrophobicContact CD2-CE2 3.85Å; L61-Y68 HydrophobicContact CD2-CG 3.76Å; L61-I70 HydrophobicContact CD1-CD1 3.63Å; L61-I70 HydrophobicContact CD2-CD1 3.98Å; L61-I70 HydrophobicContact CG-CD1 4.44Å; L61-L130 HydrophobicContact CD1-CD2 3.45Å; L61-L130 VanDerWaalsContact CD1-CD2 3.45Å
62P66.6Low74.7Confident47 Ų4752.9 Ų52.931%0.30525%0.252SS..  trans-65.4121.117722.7-33.1000112.8E60 R64 Q65 Y68E60-P62 VanDerWaalsContact O-CD 3.31Å; E60-P62 WeakPolarHBondContact O-CD 3.33Å; P62-R64 VanDerWaalsContact C-N 3.26Å; P62-R64 PolarHBondContact O-N 3.33Å; P62-R64 VanDerWaalsContact O-N 3.16Å; P62-Q65 HydrophobicContact CB-CB 4.36Å; P62-Q65 HydrophobicContact CG-CB 4.28Å; P62-Y68 HydrophobicContact CG-CE2 3.79Å
63E59.6Low74.9Confident156 Ų15652.6 Ų52.673%0.72925%0.252SS*.THydrogen-bonded Turntrans-58.1-29.7-177.7-67.2-179.6166.500115L61L61-E63 PolarHBondContact O-N 2.75Å
64R54Low75Confident226 Ų22651.3 Ų51.385%0.85324%0.241SC*.THydrogen-bonded Turntrans-110.2-5-168.3-66.7-174.9-178.3179.20.8114.8P62P62-R64 VanDerWaalsContact C-N 3.26Å; P62-R64 PolarHBondContact O-N 3.33Å; P62-R64 VanDerWaalsContact O-N 3.16Å
65Q54.6Low75.3Confident134 Ų13455.1 Ų55.163%0.62626%0.258SS*.SBendtrans-104127.9179.3-68.5-168.241.400110.1P62 R67P62-Q65 HydrophobicContact CB-CB 4.36Å; P62-Q65 HydrophobicContact CG-CB 4.28Å; Q65-R67 PolarHBondContact O-N 2.72Å
66P54.3Low75.4Confident22 Ų2253.8 Ų53.814%0.14325%0.248CC..  trans-50.6104.8158.22.1-15.7000111.3C97P66-C97 WeakPolarHBondContact CA-SG 3.35Å; P66-C97 HydrophobicContact CB-CB 3.61Å; P66-C97 WeakPolarHBondContact CB-SG 3.46Å; P66-C97 VanDerWaalsContact CD-SG 3.57Å; P66-C97 HydrophobicContact CG-CB 3.68Å; P66-C97 VanDerWaalsContact CG-SG 3.57Å
67R60.9Low75.4Confident6 Ų653.9 Ų53.92%0.02325%0.252CS..  115.3137.7114.6-67.1170-117126.976.1114.7Q65 Q101 Y105Q65-R67 PolarHBondContact O-N 2.72Å; R67-Q101 VanDerWaalsContact CZ-CA 3.44Å; R67-Q101 VanDerWaalsContact CZ-O 3.26Å; R67-Q101 PolarHBondContact NE-O 3.45Å; R67-Q101 VanDerWaalsContact NH1-CB 3.3Å; R67-Q101 PolarHBondContact NH1-O 3.28Å; R67-Y105 HydrophobicContact CB-CD1 3.47Å; R67-Y105 VanDerWaalsContact CB-CD1 3.47Å; R67-Y105 HydrophobicContact CB-CE1 3.15Å; R67-Y105 HydrophobicContact CB-CE2 4.25Å; R67-Y105 HydrophobicContact CB-CG 4.14Å; R67-Y105 VanDerWaalsContact CD-CB 3.45Å; R67-Y105 HydrophobicContact CG-CD1 3.91Å; R67-Y105 HydrophobicContact CG-CE1 4.02Å; R67-Y105 HydrophobicContact CG-CG 4.12Å
68Y62.2Low75.3Confident21 Ų2155.9 Ų55.98%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-135.7139156-67.9-86.5000109.9L33 I34 E46 L61 P62 S92L33-Y68 HydrophobicContact CB-CD1 3.55Å; L33-Y68 HydrophobicContact CB-CE1 3.78Å; L33-Y68 HydrophobicContact CB-CG 4.43Å; L33-Y68 HydrophobicContact CD1-CD1 4.05Å; L33-Y68 HydrophobicContact CD1-CE1 3.86Å; L33-Y68 HydrophobicContact CD1-CG 4.49Å; L33-Y68 HydrophobicContact CD2-CD1 3.91Å; L33-Y68 HydrophobicContact CD2-CG 3.94Å; L33-Y68 HydrophobicContact CG-CD1 4.04Å; L33-Y68 HydrophobicContact CG-CE1 4.28Å; I34-Y68 WeakPolarHBondContact O-CA 3.45Å; E46-Y68 HydrophobicContact CB-CE1 3.91Å; E46-Y68 HydrophobicContact CG-CE1 3.84Å; E46-Y68 WeakPolarHBondContact OE2-CE1 3.16Å; E46-Y68 PolarHBondContact OE2-OH 3.47Å; L61-Y68 HydrophobicContact CD2-CD2 3.24Å; L61-Y68 HydrophobicContact CD2-CE2 3.85Å; L61-Y68 HydrophobicContact CD2-CG 3.76Å; P62-Y68 HydrophobicContact CG-CE2 3.79Å; Y68-S92 PolarHBondContact O-N 2.81Å; Y68-S92 VanDerWaalsContact O-N 3.17Å
69H69.8Low75.2Confident0 Ų056.7 Ų56.70%029%0.291CS..EExtended strand (participates in β ladder)trans-81.4111.7146.6-63.6-50.1000106.1I34 F89 F91 Y105 L112I34-H69 HydrophobicContact CB-CB 4.02Å; I34-H69 VanDerWaalsContact CB-O 3.28Å; I34-H69 WeakPolarHBondContact CB-O 3.41Å; I34-H69 HydrophobicContact CD1-CB 4.45Å; I34-H69 HydrophobicContact CG2-CB 4.39Å; I34-H69 PolarHBondContact N-O 3.01Å; I34-H69 PolarHBondContact O-N 3.49Å; H69-F89 HydrophobicContact CB-CE1 4.45Å; H69-F89 HydrophobicContact CB-CE2 3.64Å; H69-F89 HydrophobicContact CB-CZ 3.53Å; H69-F89 AromaticContact CE1-CZ 3.91Å; H69-F89 AromaticContact CG-CE2 3.98Å; H69-F89 AromaticContact CG-CZ 3.39Å; H69-F89 AromaticContact ND1-CE1 3.61Å; H69-F89 AromaticContact ND1-CZ 3.15Å; H69-F89 WeakPolarHBondContact ND1-CZ 3.31Å; H69-F91 AromaticContact CE1-CD2 3.54Å; H69-F91 AromaticContact CE1-CE2 3.78Å; H69-F91 AromaticContact ND1-CD2 3.44Å; H69-F91 WeakPolarHBondContact ND1-CD2 3.42Å; H69-Y105 AromaticContact CD2-CD1 3.96Å; H69-Y105 AromaticContact NE2-CD1 3.68Å; H69-L112 HydrophobicContact CB-CD2 3.49Å; H69-L112 VanDerWaalsContact CB-CD2 3.49Å; H69-L112 WeakPolarHBondContact CD2-CD2 3.36Å
70I84.1Confident75.1Confident0 Ų055.7 Ų55.70%029%0.285CS..EExtended strand (participates in β ladder)trans-97.7122.6179.5-53.3175.5000106.4I32 L33 L57 L61 F89 I90 L130I32-I70 WeakPolarHBondContact O-CA 3.47Å; L33-I70 HydrophobicContact CD2-CB 4.42Å; L33-I70 HydrophobicContact CD2-CD1 4.33Å; L33-I70 HydrophobicContact CD2-CG1 3.76Å; L33-I70 HydrophobicContact CD2-CG2 4.27Å; L57-I70 HydrophobicContact CD2-CG2 3.71Å; L61-I70 HydrophobicContact CD1-CD1 3.63Å; L61-I70 HydrophobicContact CD2-CD1 3.98Å; L61-I70 HydrophobicContact CG-CD1 4.44Å; I70-F89 CarbonylContact O-C 3.56Å; I70-F89 WeakPolarHBondContact O-CA 3.26Å; I70-I90 HydrophobicContact CB-CB 4.18Å; I70-I90 PolarHBondContact N-O 3.18Å; I70-I90 PolarHBondContact O-N 3.32Å; I70-L130 HydrophobicContact CD1-CD2 3.83Å
71V88.1Confident75.3Confident1 Ų153.4 Ų53.41%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-103.2108.5167.4-175.10000107.2L18 F21 A31 I32 I34 L87 C88 F89 L118L18-V71 HydrophobicContact CD2-CB 4.24Å; L18-V71 HydrophobicContact CD2-CG1 4.36Å; L18-V71 HydrophobicContact CD2-CG2 3.73Å; F21-V71 HydrophobicContact CD1-CG1 3.89Å; F21-V71 HydrophobicContact CE1-CG1 3.89Å; A31-V71 CarbonylContact C-O 3.57Å; A31-V71 WeakPolarHBondContact CA-O 3.31Å; I32-V71 HydrophobicContact CB-CB 4.34Å; I32-V71 PolarHBondContact N-O 2.92Å; I32-V71 PolarHBondContact O-N 3.44Å; I34-V71 HydrophobicContact CD1-CG2 3.88Å; V71-L87 HydrophobicContact CG1-CD1 4.11Å; V71-L87 HydrophobicContact CG1-CD2 4.31Å; V71-L87 HydrophobicContact CG1-CG 3.95Å; V71-C88 CarbonylContact C-O 3.6Å; V71-C88 WeakPolarHBondContact CA-O 3.31Å; V71-F89 HydrophobicContact CG2-CD2 4.03Å; V71-L118 HydrophobicContact CG1-CD1 4.11Å; V71-L118 HydrophobicContact CG1-CD2 4.36Å; V71-L118 HydrophobicContact CG2-CD1 3.94Å
72Y90.1Very high75.9Confident1 Ų161.7 Ų61.70%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-113.3122.6-175-171.7-115.1000110.4N29 A30 A31 I52 L54 L57 Y74 C88 L135N29-Y72 HydrophobicContact CB-CE2 4.33Å; N29-Y72 PolarHBondContact ND2-OH 2.79Å; A30-Y72 WeakPolarHBondContact O-CA 3.39Å; A30-Y72 WeakPolarHBondContact O-CD2 3.49Å; A31-Y72 HydrophobicContact CB-CD2 3.79Å; A31-Y72 HydrophobicContact CB-CE2 4.38Å; I52-Y72 HydrophobicContact CG2-CE2 4.36Å; I52-Y72 PolarHBondContact O-OH 3.12Å; L54-Y72 HydrophobicContact CD1-CD1 4.48Å; L54-Y72 HydrophobicContact CD1-CE1 3.96Å; L54-Y72 HydrophobicContact CD2-CD1 3.73Å; L54-Y72 HydrophobicContact CD2-CD2 4.19Å; L54-Y72 HydrophobicContact CD2-CE1 3.59Å; L54-Y72 HydrophobicContact CD2-CE2 4.12Å; L54-Y72 HydrophobicContact CD2-CG 4.02Å; L54-Y72 HydrophobicContact CG-CD1 4.14Å; L54-Y72 HydrophobicContact CG-CE1 3.51Å; L54-Y72 HydrophobicContact CG-CE2 4.42Å; L57-Y72 HydrophobicContact CD2-CD2 4.17Å; Y72-Y74 AromaticContact CE1-CD2 3.58Å; Y72-Y74 HydrophobicContact CE1-CD2 3.58Å; Y72-Y74 AromaticContact CE1-CG 3.9Å; Y72-Y74 HydrophobicContact CE1-CG 3.9Å; Y72-C88 PolarHBondContact N-O 3.03Å; Y72-C88 PolarHBondContact O-N 3Å; Y72-L135 HydrophobicContact CD1-CD2 3.59Å; Y72-L135 HydrophobicContact CE1-CD2 3.7Å
73S89.8Confident76.9Confident8 Ų862.5 Ų62.56%0.05633%0.326CS..EExtended strand (participates in β ladder)trans-93.3110.4168.5-173.30000107.8N29 A30N29-S73 WeakPolarHBondContact CA-O 3.48Å; A30-S73 PolarHBondContact N-O 2.79Å; A30-S73 VanDerWaalsContact N-O 3.1Å; A30-S73 PolarHBondContact O-N 2.61Å
74Y88.6Confident78.1Confident11 Ų1156.9 Ų56.94%0.04330%0.304CS..  trans-104.8128.7-178.2-179.4-116.3000110.8Y72 Y76 Y85 P86 E132 L135 K136 L139Y72-Y74 AromaticContact CE1-CD2 3.58Å; Y72-Y74 HydrophobicContact CE1-CD2 3.58Å; Y72-Y74 AromaticContact CE1-CG 3.9Å; Y72-Y74 HydrophobicContact CE1-CG 3.9Å; Y74-Y76 AromaticContact CD1-CD2 3.98Å; Y74-Y76 HydrophobicContact CD1-CD2 3.98Å; Y74-Y76 HydrophobicContact CD1-CG 4.4Å; Y74-Y76 AromaticContact CE1-CD2 3.6Å; Y74-Y76 HydrophobicContact CE1-CD2 3.6Å; Y74-Y76 HydrophobicContact CE1-CG 4.15Å; Y74-Y76 PolarHBondContact O-N 3.1Å; Y74-Y85 WeakPolarHBondContact O-CA 3.15Å; Y74-P86 PolarHBondContact N-O 3.45Å; Y74-P86 WeakPolarHBondContact O-CD 3.44Å; Y74-E132 HydrophobicContact CE2-CG 3.92Å; Y74-E132 PolarHBondContact OH-OE1 3.45Å; Y74-L135 HydrophobicContact CD1-CD2 4.06Å; Y74-L135 HydrophobicContact CD2-CD2 4.22Å; Y74-L135 HydrophobicContact CG-CD2 3.7Å; Y74-K136 HydrophobicContact CE1-CG 4.35Å; Y74-K136 WeakPolarHBondContact OH-CE 3.4Å; Y74-L139 HydrophobicContact CD1-CD1 3.71Å; Y74-L139 HydrophobicContact CE1-CD1 4.4Å
75K89.4Confident79.7Confident83 Ų8350.2 Ų50.236%0.36128%0.279SS..  trans-7490.8169.9-175.8-175.1-167.7168.50109.9T27 N29 T77 V83 Y85T27-K75 WeakPolarHBondContact O-CD 3.15Å; N29-K75 VanDerWaalsContact OD1-CB 3.23Å; N29-K75 WeakPolarHBondContact OD1-CB 3.4Å; N29-K75 PolarHBondContact OD1-N 3.28Å; K75-T77 PolarHBondContact O-N 2.76Å; K75-V83 HydrophobicContact CD-CG1 4.43Å; K75-V83 HydrophobicContact CG-CG1 3.6Å; K75-Y85 HydrophobicContact CB-CD1 4.15Å; K75-Y85 HydrophobicContact CB-CE1 3.8Å; K75-Y85 HydrophobicContact CD-CE1 4.29Å; K75-Y85 HydrophobicContact CG-CD1 4.36Å; K75-Y85 HydrophobicContact CG-CE1 3.6Å
76Y85.8Confident81.3Confident32 Ų3244.5 Ų44.513%0.12525%0.253CS..EExtended strand (participates in β ladder)trans-86.3110.9177.8-168.3-82.3000110.3Y74 H78 V83 S84 K136 L139Y74-Y76 AromaticContact CD1-CD2 3.98Å; Y74-Y76 HydrophobicContact CD1-CD2 3.98Å; Y74-Y76 HydrophobicContact CD1-CG 4.4Å; Y74-Y76 AromaticContact CE1-CD2 3.6Å; Y74-Y76 HydrophobicContact CE1-CD2 3.6Å; Y74-Y76 HydrophobicContact CE1-CG 4.15Å; Y74-Y76 PolarHBondContact O-N 3.1Å; Y76-H78 AromaticContact CD1-CD2 3.82Å; Y76-H78 AromaticContact CD1-CE1 3.5Å; Y76-H78 VanDerWaalsContact CD1-CE1 3.5Å; Y76-H78 WeakPolarHBondContact CD1-CE1 3.5Å; Y76-H78 AromaticContact CD1-CG 3.76Å; Y76-H78 AromaticContact CD1-ND1 3.57Å; Y76-H78 AromaticContact CD1-NE2 3.66Å; Y76-H78 HydrophobicContact CE1-CB 4.37Å; Y76-H78 AromaticContact CE1-CE1 3.58Å; Y76-H78 AromaticContact CE1-CG 3.74Å; Y76-H78 AromaticContact CE1-ND1 3.29Å; Y76-H78 VanDerWaalsContact CE1-ND1 3.29Å; Y76-H78 WeakPolarHBondContact CE1-ND1 3.44Å; Y76-V83 WeakPolarHBondContact O-CA 3.49Å; Y76-S84 PolarHBondContact N-O 3.03Å; Y76-S84 PolarHBondContact O-N 3.21Å; Y76-K136 HydrophobicContact CD2-CG 4.46Å; Y76-K136 HydrophobicContact CE2-CB 4.36Å; Y76-K136 HydrophobicContact CE2-CG 4Å; Y76-L139 HydrophobicContact CD2-CB 4.28Å; Y76-L139 HydrophobicContact CD2-CD1 3.71Å; Y76-L139 HydrophobicContact CE2-CB 4.22Å; Y76-L139 HydrophobicContact CE2-CD1 4.4Å; Y76-L139 HydrophobicContact CG-CD1 4.49Å
77T85.9Confident82.9Confident85 Ų8544.9 Ų44.952%0.52125%0.254SS..EExtended strand (participates in β ladder)trans-91.1111.1172-51.90000109K75 V83K75-T77 PolarHBondContact O-N 2.76Å; T77-V83 HydrophobicContact CG2-CG2 4.25Å
78H82Confident84.3Confident41 Ų4144.6 Ų44.619%0.1925%0.253CS..  trans-71.7151.2176-64.5-85.7000110.4Y76 D80 G81 R82 S84Y76-H78 AromaticContact CD1-CD2 3.82Å; Y76-H78 AromaticContact CD1-CE1 3.5Å; Y76-H78 VanDerWaalsContact CD1-CE1 3.5Å; Y76-H78 WeakPolarHBondContact CD1-CE1 3.5Å; Y76-H78 AromaticContact CD1-CG 3.76Å; Y76-H78 AromaticContact CD1-ND1 3.57Å; Y76-H78 AromaticContact CD1-NE2 3.66Å; Y76-H78 HydrophobicContact CE1-CB 4.37Å; Y76-H78 AromaticContact CE1-CE1 3.58Å; Y76-H78 AromaticContact CE1-CG 3.74Å; Y76-H78 AromaticContact CE1-ND1 3.29Å; Y76-H78 VanDerWaalsContact CE1-ND1 3.29Å; Y76-H78 WeakPolarHBondContact CE1-ND1 3.44Å; H78-D80 WeakPolarHBondContact CB-OD1 3.45Å; H78-D80 PolarHBondContact O-N 2.81Å; H78-G81 PolarHBondContact O-N 2.83Å; H78-R82 HydrophobicContact CB-CB 4.33Å; H78-R82 WeakPolarHBondContact CB-O 3.14Å; H78-R82 PolarHBondContact CD2-O 3.46Å; H78-R82 PolarHBondContact N-O 3.3Å; H78-S84 PolarHBondContact NE2-OG 3.01Å
79G79.3Confident85.6Confident85 Ų8543.6 Ų43.688%0.87625%0.249SC*.THydrogen-bonded Turntrans-63-11.717800000115.3G81G79-G81 VanDerWaalsContact C-N 3.32Å
80D80.8Confident86.5Confident92 Ų9243.6 Ų43.649%0.49225%0.249SC..THydrogen-bonded Turntrans-88.33.6172.966.8-8.4000113.1H78 R82H78-D80 WeakPolarHBondContact CB-OD1 3.45Å; H78-D80 PolarHBondContact O-N 2.81Å; D80-R82 WeakPolarHBondContact OD1-CB 3.4Å; D80-R82 PolarHBondContact OD1-N 2.82Å; D80-R82 VanDerWaalsContact OD2-CD 3.28Å; D80-R82 WeakPolarHBondContact OD2-CD 3.35Å; D80-R82 IonicContact OD2-CZ 3.08Å; D80-R82 IonicContact OD2-NE 3.54Å; D80-R82 IonicContact OD2-NH1 3.95Å
81G82.8Confident86.6Confident61 Ų6143.8 Ų43.863%0.62925%0.25SC*.SBendtrans86.9-2.3-178.700000114.7H78 G79H78-G81 PolarHBondContact O-N 2.83Å; G79-G81 VanDerWaalsContact C-N 3.32Å
82R86.3Confident86.3Confident183 Ų18344 Ų4469%0.69125%0.252SS*.  trans-74.9143.1174.9-64.3179.9179.6168-0.9110.5H78 D80H78-R82 HydrophobicContact CB-CB 4.33Å; H78-R82 WeakPolarHBondContact CB-O 3.14Å; H78-R82 PolarHBondContact CD2-O 3.46Å; H78-R82 PolarHBondContact N-O 3.3Å; D80-R82 WeakPolarHBondContact OD1-CB 3.4Å; D80-R82 PolarHBondContact OD1-N 2.82Å; D80-R82 VanDerWaalsContact OD2-CD 3.28Å; D80-R82 WeakPolarHBondContact OD2-CD 3.35Å; D80-R82 IonicContact OD2-CZ 3.08Å; D80-R82 IonicContact OD2-NE 3.54Å; D80-R82 IonicContact OD2-NH1 3.95Å
83V86.3Confident85.7Confident64 Ų6444 Ų4439%0.38825%0.252SS..EExtended strand (participates in β ladder)trans-111.2127.6172.7-175.90000108.5K75 Y76 T77 Y85K75-V83 HydrophobicContact CD-CG1 4.43Å; K75-V83 HydrophobicContact CG-CG1 3.6Å; Y76-V83 WeakPolarHBondContact O-CA 3.49Å; T77-V83 HydrophobicContact CG2-CG2 4.25Å; V83-Y85 HydrophobicContact CG1-CE1 4.2Å; V83-Y85 HydrophobicContact CG1-CE2 3.93Å; V83-Y85 WeakPolarHBondContact CG1-OH 3.24Å
84S85.5Confident84.8Confident38 Ų3844.7 Ų44.727%0.26626%0.256SS..EExtended strand (participates in β ladder)trans-119.3157.1171.564.10000110.4Y76 H78 P86Y76-S84 PolarHBondContact N-O 3.03Å; Y76-S84 PolarHBondContact O-N 3.21Å; H78-S84 PolarHBondContact NE2-OG 3.01Å; S84-P86 WeakPolarHBondContact O-CD 3.33Å
85Y87.3Confident83.7Confident87 Ų8751.8 Ų51.834%0.34129%0.292SS..  trans-120.867.6178.3-58.6-84.6000109.4T27 Y74 K75 V83 L87T27-Y85 WeakPolarHBondContact CB-OH 3.44Å; T27-Y85 HydrophobicContact CG2-CE2 4.33Å; T27-Y85 VanDerWaalsContact CG2-OH 3.27Å; T27-Y85 WeakPolarHBondContact CG2-OH 3.33Å; T27-Y85 WeakPolarHBondContact O-CE1 3.13Å; Y74-Y85 WeakPolarHBondContact O-CA 3.15Å; K75-Y85 HydrophobicContact CB-CD1 4.15Å; K75-Y85 HydrophobicContact CB-CE1 3.8Å; K75-Y85 HydrophobicContact CD-CE1 4.29Å; K75-Y85 HydrophobicContact CG-CD1 4.36Å; K75-Y85 HydrophobicContact CG-CE1 3.6Å; V83-Y85 HydrophobicContact CG1-CE1 4.2Å; V83-Y85 HydrophobicContact CG1-CE2 3.93Å; V83-Y85 WeakPolarHBondContact CG1-OH 3.24Å; Y85-L87 PolarHBondContact O-N 3.35Å
86P87.9Confident82.7Confident13 Ų1351.4 Ų51.48%0.08431%0.311CS..  trans-62.3124.5176.925.9-36.8000111.1Y74 S84 C88 K120 L139Y74-P86 PolarHBondContact N-O 3.45Å; Y74-P86 WeakPolarHBondContact O-CD 3.44Å; S84-P86 WeakPolarHBondContact O-CD 3.33Å; P86-C88 PolarHBondContact O-SG 3.09Å; P86-K120 HydrophobicContact CB-CD 3.94Å; P86-L139 HydrophobicContact CB-CD2 3.77Å; P86-L139 HydrophobicContact CG-CD1 3.76Å; P86-L139 HydrophobicContact CG-CD2 3.82Å; P86-L139 HydrophobicContact CG-CG 4.46Å
87L88.4Confident81.8Confident30 Ų3050.7 Ų50.716%0.15731%0.311CS..EExtended strand (participates in β ladder)trans-82.2116.7171.4-152.863.5000109.5F21 R22 V71 Y85 L118F21-L87 HydrophobicContact CD1-CD1 3.61Å; F21-L87 HydrophobicContact CD1-CD2 4.43Å; F21-L87 HydrophobicContact CE1-CD1 3.46Å; F21-L87 VanDerWaalsContact CE1-CD1 3.46Å; R22-L87 HydrophobicContact CB-CD2 3.85Å; R22-L87 HydrophobicContact CG-CD2 4.12Å; V71-L87 HydrophobicContact CG1-CD1 4.11Å; V71-L87 HydrophobicContact CG1-CD2 4.31Å; V71-L87 HydrophobicContact CG1-CG 3.95Å; Y85-L87 PolarHBondContact O-N 3.35Å; L87-L118 HydrophobicContact CB-CD2 3.9Å; L87-L118 HydrophobicContact CD2-CD2 3.39Å; L87-L118 HydrophobicContact CG-CD2 3.53Å
88C89.7Confident81.4Confident0 Ų053.6 Ų53.60%032%0.316CS..EExtended strand (participates in β ladder)trans-113.9130.3-174.2-56.40000109.7V71 Y72 P86 I90 F122 L135V71-C88 CarbonylContact C-O 3.6Å; V71-C88 WeakPolarHBondContact CA-O 3.31Å; Y72-C88 PolarHBondContact N-O 3.03Å; Y72-C88 PolarHBondContact O-N 3Å; P86-C88 PolarHBondContact O-SG 3.09Å; C88-I90 HydrophobicContact CB-CG1 4.48Å; C88-F122 HydrophobicContact CB-CD2 4.1Å; C88-F122 HydrophobicContact CB-CE2 3.93Å; C88-L135 HydrophobicContact CB-CD1 4.26Å
89F90.1Very high81.2Confident0 Ų056.2 Ų56.20%034%0.336CS..EExtended strand (participates in β ladder)trans-91.9124.3166-171.5-92.2000108.7H69 I70 V71 F91 K109 L112 V113 L118 K120 I121 F122H69-F89 HydrophobicContact CB-CE1 4.45Å; H69-F89 HydrophobicContact CB-CE2 3.64Å; H69-F89 HydrophobicContact CB-CZ 3.53Å; H69-F89 AromaticContact CE1-CZ 3.91Å; H69-F89 AromaticContact CG-CE2 3.98Å; H69-F89 AromaticContact CG-CZ 3.39Å; H69-F89 AromaticContact ND1-CE1 3.61Å; H69-F89 AromaticContact ND1-CZ 3.15Å; H69-F89 WeakPolarHBondContact ND1-CZ 3.31Å; I70-F89 CarbonylContact O-C 3.56Å; I70-F89 WeakPolarHBondContact O-CA 3.26Å; V71-F89 HydrophobicContact CG2-CD2 4.03Å; F89-F91 HydrophobicContact CE1-CB 4.09Å; F89-K109 HydrophobicContact CE1-CD 4.09Å; F89-K109 HydrophobicContact CE1-CG 3.72Å; F89-K109 HydrophobicContact CZ-CG 4.1Å; F89-L112 HydrophobicContact CE2-CB 4.5Å; F89-L112 HydrophobicContact CE2-CD2 3.55Å; F89-L112 HydrophobicContact CE2-CG 3.97Å; F89-L112 HydrophobicContact CZ-CD2 3.94Å; F89-V113 HydrophobicContact CD1-CG2 4.07Å; F89-V113 HydrophobicContact CD2-CG2 4.25Å; F89-V113 HydrophobicContact CE1-CG2 4.09Å; F89-V113 HydrophobicContact CE2-CG2 4.26Å; F89-V113 HydrophobicContact CG-CG2 4.08Å; F89-V113 HydrophobicContact CZ-CG2 4.13Å; F89-L118 HydrophobicContact CB-CB 4.29Å; F89-L118 HydrophobicContact CB-CD1 3.75Å; F89-L118 HydrophobicContact CD2-CD1 3.57Å; F89-L118 HydrophobicContact CG-CD1 4.12Å; F89-K120 PolarHBondContact N-O 3.46Å; F89-I121 HydrophobicContact CB-CG1 4.43Å; F89-I121 HydrophobicContact CD1-CG2 3.85Å; F89-I121 CarbonylContact O-C 3.44Å; F89-I121 WeakPolarHBondContact O-CA 3.5Å; F89-F122 PolarHBondContact O-N 3.42Å
90I88.4Confident81.2Confident0 Ų058.8 Ų58.80%033%0.326CS..EExtended strand (participates in β ladder)trans-122117.3177.6-52.1164.2000107.9I70 C88 F122 T124 L130 W134 L135I70-I90 HydrophobicContact CB-CB 4.18Å; I70-I90 PolarHBondContact N-O 3.18Å; I70-I90 PolarHBondContact O-N 3.32Å; C88-I90 HydrophobicContact CB-CG1 4.48Å; I90-F122 CarbonylContact C-O 3.6Å; I90-F122 WeakPolarHBondContact CA-O 3.4Å; I90-F122 HydrophobicContact CG1-CB 4.35Å; I90-F122 HydrophobicContact CG1-CD2 4.29Å; I90-T124 HydrophobicContact CG2-CG2 4.2Å; I90-L130 HydrophobicContact CB-CD1 4.45Å; I90-L130 HydrophobicContact CD1-CD1 3.82Å; I90-L130 HydrophobicContact CG2-CD1 3.66Å; I90-W134 HydrophobicContact CD1-CZ3 4.1Å; I90-W134 HydrophobicContact CG1-CH2 4.47Å; I90-W134 HydrophobicContact CG1-CZ3 4.3Å; I90-W134 HydrophobicContact CG2-CH2 3.87Å; I90-W134 HydrophobicContact CG2-CZ3 4.16Å; I90-L135 HydrophobicContact CD1-CD1 4.28Å
91F86.4Confident81Confident4 Ų455.9 Ų55.92%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-92.7109.5174.1179.6-136.8000109.3H69 F89 Y105 K109 F122 E123 T124H69-F91 AromaticContact CE1-CD2 3.54Å; H69-F91 AromaticContact CE1-CE2 3.78Å; H69-F91 AromaticContact ND1-CD2 3.44Å; H69-F91 WeakPolarHBondContact ND1-CD2 3.42Å; F89-F91 HydrophobicContact CE1-CB 4.09Å; F91-Y105 HydrophobicContact CE2-CD1 4.36Å; F91-K109 HydrophobicContact CB-CD 4.27Å; F91-K109 HydrophobicContact CD1-CD 4.17Å; F91-K109 HydrophobicContact CG-CD 4.29Å; F91-F122 PolarHBondContact N-O 2.76Å; F91-E123 HydrophobicContact CB-CB 4.5Å; F91-E123 HydrophobicContact CB-CG 4.4Å; F91-E123 HydrophobicContact CD1-CG 3.77Å; F91-E123 HydrophobicContact CG-CG 4.49Å; F91-E123 CarbonylContact O-C 3.57Å; F91-E123 WeakPolarHBondContact O-CA 3.12Å; F91-T124 PolarHBondContact O-N 2.84Å
92S82.5Confident80.6Confident6 Ų656.6 Ų56.64%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-95118.8175.3-175.20000110.6Y68Y68-S92 PolarHBondContact O-N 2.81Å; Y68-S92 VanDerWaalsContact O-N 3.17Å
93S76.6Confident80.3Confident2 Ų251.2 Ų51.21%0.01428%0.28CS..  trans-133.777.9-176.9170.50000111.3Q102 T124 R125S93-Q102 PolarHBondContact OG-NE2 3.34Å; S93-T124 PolarHBondContact N-O 3.34Å; S93-R125 WeakPolarHBondContact O-CA 2.92Å
94P71.4Confident80Confident21 Ų2149 Ų4914%0.13627%0.265CS..  trans-60.5152179.420.5-28.4000113.9G96 C97 R125P94-G96 PolarHBondContact O-N 3.15Å; P94-C97 PolarHBondContact O-SG 3.3Å; P94-R125 VanDerWaalsContact CA-O 3.31Å; P94-R125 WeakPolarHBondContact CA-O 3.28Å
95M65.9Low79.8Confident161 Ų16147.6 Ų47.679%0.79325%0.254SS*.THydrogen-bonded Turntrans-71.47.8-173.6-74.4-73.8-69.900116
96G66.4Low79.5Confident74 Ų7445.5 Ų45.576%0.76326%0.255SS*.THydrogen-bonded Turntrans-105.46.2179.400000115.3P94P94-G96 PolarHBondContact O-N 3.15Å
97C68.4Low79.2Confident18 Ų1845.6 Ų45.612%0.12226%0.258CS..SBendtrans-80149-169.5-59.20000113P66 P94P66-C97 WeakPolarHBondContact CA-SG 3.35Å; P66-C97 HydrophobicContact CB-CB 3.61Å; P66-C97 WeakPolarHBondContact CB-SG 3.46Å; P66-C97 VanDerWaalsContact CD-SG 3.57Å; P66-C97 HydrophobicContact CG-CB 3.68Å; P66-C97 VanDerWaalsContact CG-SG 3.57Å; P94-C97 PolarHBondContact O-SG 3.3Å
98K76.1Confident78.9Confident146 Ų14644.1 Ų44.164%0.63525%0.251SS*.  trans-62.1136.3171.2-68.7-179179.31800109.6E100 Q101 Q102K98-E100 VanDerWaalsContact C-N 3.34Å; K98-E100 PolarHBondContact O-N 3.08Å; K98-Q101 HydrophobicContact CB-CB 4.07Å; K98-Q101 HydrophobicContact CB-CG 4.37Å; K98-Q101 WeakPolarHBondContact O-CA 3.27Å; K98-Q101 WeakPolarHBondContact O-CB 3.13Å; K98-Q101 PolarHBondContact O-N 3.17Å; K98-Q101 VanDerWaalsContact O-N 3.12Å; K98-Q102 PolarHBondContact O-N 3.41Å
99P79.4Confident78.6Confident95 Ų9546 Ų4662%0.61726%0.259SS*.Hα-helixtrans-56.7-43.7-179.5-28.735.2000113.8Q101 Q102 M103P99-Q101 PolarHBondContact O-N 2.98Å; P99-Q102 PolarHBondContact O-N 3.13Å; P99-Q102 VanDerWaalsContact O-N 3.12Å; P99-M103 WeakPolarHBondContact O-CG 3.42Å; P99-M103 PolarHBondContact O-N 3.01Å
100E78.2Confident78.2Confident139 Ų13950.9 Ų50.965%0.6529%0.285SS*.Hα-helixtrans-56.8-41.9178.1-175.9-177.8-169.100111.9K98 M104K98-E100 VanDerWaalsContact C-N 3.34Å; K98-E100 PolarHBondContact O-N 3.08Å; E100-M104 HydrophobicContact CG-CE 3.76Å; E100-M104 WeakPolarHBondContact O-CG 3.23Å; E100-M104 PolarHBondContact O-N 3.34Å; E100-M104 VanDerWaalsContact O-N 3.15Å
101Q76.5Confident78Confident31 Ų3157 Ų5715%0.14531%0.308CS..Hα-helixtrans-61.8-58.4173.5-93.1-174.1-22.700109.8M38 R67 K98 P99 M103 M104 Y105M38-Q101 HydrophobicContact SD-CG 3.48Å; M38-Q101 WeakPolarHBondContact SD-CG 3.38Å; M38-Q101 PolarHBondContact SD-NE2 2.87Å; R67-Q101 VanDerWaalsContact CZ-CA 3.44Å; R67-Q101 VanDerWaalsContact CZ-O 3.26Å; R67-Q101 PolarHBondContact NE-O 3.45Å; R67-Q101 VanDerWaalsContact NH1-CB 3.3Å; R67-Q101 PolarHBondContact NH1-O 3.28Å; K98-Q101 HydrophobicContact CB-CB 4.07Å; K98-Q101 HydrophobicContact CB-CG 4.37Å; K98-Q101 WeakPolarHBondContact O-CA 3.27Å; K98-Q101 WeakPolarHBondContact O-CB 3.13Å; K98-Q101 PolarHBondContact O-N 3.17Å; K98-Q101 VanDerWaalsContact O-N 3.12Å; P99-Q101 PolarHBondContact O-N 2.98Å; Q101-M103 PolarHBondContact O-N 3.24Å; Q101-M104 PolarHBondContact O-N 3.41Å; Q101-Y105 PolarHBondContact O-N 2.88Å
102Q75.5Confident77.8Confident77 Ų7756.8 Ų56.836%0.3631%0.307SS..Hα-helixtrans-50.5-39.7-179.1-166.7176.38.100112.8S93 K98 P99 A106S93-Q102 PolarHBondContact OG-NE2 3.34Å; K98-Q102 PolarHBondContact O-N 3.41Å; P99-Q102 PolarHBondContact O-N 3.13Å; P99-Q102 VanDerWaalsContact O-N 3.12Å; Q102-A106 VanDerWaalsContact O-CB 3.24Å; Q102-A106 WeakPolarHBondContact O-CB 3.46Å; Q102-A106 PolarHBondContact O-N 2.99Å
103M80.1Confident77.9Confident70 Ų7057.3 Ų57.335%0.34531%0.31SS..Hα-helixtrans-62.6-44.1174.7-66.8-174.171.200113.7S3 L5 P99 Q101 Y105 A106 G107S3-M103 WeakPolarHBondContact OG-CE 3.47Å; L5-M103 HydrophobicContact CD2-CE 4.1Å; L5-M103 HydrophobicContact CG-CE 4.5Å; P99-M103 WeakPolarHBondContact O-CG 3.42Å; P99-M103 PolarHBondContact O-N 3.01Å; Q101-M103 PolarHBondContact O-N 3.24Å; M103-Y105 PolarHBondContact O-N 3.33Å; M103-A106 PolarHBondContact O-N 3.5Å; M103-G107 PolarHBondContact O-N 2.63Å
104M79.4Confident78.2Confident16 Ų1663.3 Ų63.38%0.07934%0.337CS..Hα-helixtrans-59.7-44.8178.3-73.3-171-131.100113V6 M38 E100 Q101 S108V6-M104 HydrophobicContact CB-CG 4.11Å; V6-M104 HydrophobicContact CG1-CG 4.5Å; M38-M104 HydrophobicContact CG-CE 4.49Å; M38-M104 HydrophobicContact CG-SD 4.38Å; M38-M104 HydrophobicContact SD-CE 4.43Å; E100-M104 HydrophobicContact CG-CE 3.76Å; E100-M104 WeakPolarHBondContact O-CG 3.23Å; E100-M104 PolarHBondContact O-N 3.34Å; E100-M104 VanDerWaalsContact O-N 3.15Å; Q101-M104 PolarHBondContact O-N 3.41Å; M104-S108 WeakPolarHBondContact O-CB 3.24Å; M104-S108 PolarHBondContact O-N 2.73Å; M104-S108 PolarHBondContact O-OG 2.95Å
105Y80.8Confident78.9Confident9 Ų964.3 Ų64.34%0.03534%0.341CS..Hα-helixtrans-77.4-35.9-179.2-82.1-131.5000111.4I36 R67 H69 F91 Q101 M103 G107 S108 K109I36-Y105 HydrophobicContact CB-CD2 3.85Å; I36-Y105 HydrophobicContact CB-CE1 4.45Å; I36-Y105 HydrophobicContact CB-CE2 3.32Å; I36-Y105 HydrophobicContact CD1-CD1 4.12Å; I36-Y105 HydrophobicContact CD1-CD2 3.21Å; I36-Y105 HydrophobicContact CD1-CE1 4.44Å; I36-Y105 HydrophobicContact CD1-CE2 3.71Å; I36-Y105 HydrophobicContact CD1-CG 3.57Å; I36-Y105 HydrophobicContact CG1-CD1 4.03Å; I36-Y105 HydrophobicContact CG1-CD2 3.45Å; I36-Y105 VanDerWaalsContact CG1-CD2 3.45Å; I36-Y105 HydrophobicContact CG1-CE1 3.85Å; I36-Y105 HydrophobicContact CG1-CE2 3.37Å; I36-Y105 HydrophobicContact CG1-CG 3.9Å; I36-Y105 HydrophobicContact CG2-CE2 4.46Å; I36-Y105 VanDerWaalsContact N-CZ 3.3Å; I36-Y105 PolarHBondContact N-OH 3.03Å; R67-Y105 HydrophobicContact CB-CD1 3.47Å; R67-Y105 VanDerWaalsContact CB-CD1 3.47Å; R67-Y105 HydrophobicContact CB-CE1 3.15Å; R67-Y105 HydrophobicContact CB-CE2 4.25Å; R67-Y105 HydrophobicContact CB-CG 4.14Å; R67-Y105 VanDerWaalsContact CD-CB 3.45Å; R67-Y105 HydrophobicContact CG-CD1 3.91Å; R67-Y105 HydrophobicContact CG-CE1 4.02Å; R67-Y105 HydrophobicContact CG-CG 4.12Å; H69-Y105 AromaticContact CD2-CD1 3.96Å; H69-Y105 AromaticContact NE2-CD1 3.68Å; F91-Y105 HydrophobicContact CE2-CD1 4.36Å; Q101-Y105 PolarHBondContact O-N 2.88Å; M103-Y105 PolarHBondContact O-N 3.33Å; Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 3.18Å; Y105-S108 PolarHBondContact O-N 3.21Å; Y105-K109 WeakPolarHBondContact O-CB 3.3Å; Y105-K109 PolarHBondContact O-N 3.48Å
106A80.3Confident79.6Confident43 Ų4357 Ų5736%0.35531%0.306SS..Hα-helixtrans-60-41172.500000111.3Q102 M103Q102-A106 VanDerWaalsContact O-CB 3.24Å; Q102-A106 WeakPolarHBondContact O-CB 3.46Å; Q102-A106 PolarHBondContact O-N 2.99Å; M103-A106 PolarHBondContact O-N 3.5Å
107G81.7Confident80.4Confident15 Ų1559.2 Ų59.216%0.15530%0.297CS..Hα-helixtrans-67-39.2175.300000113.4M103 Y105M103-G107 PolarHBondContact O-N 2.63Å; Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 3.18Å
108S82.2Confident81.2Confident0 Ų059 Ų590%029%0.294CS..Hα-helixtrans-82.1-19.8-178.1-520000113.5C8 M104 Y105 N110 R111 L112C8-S108 WeakPolarHBondContact CB-OG 3.46Å; C8-S108 PolarHBondContact N-OG 3.33Å; M104-S108 WeakPolarHBondContact O-CB 3.24Å; M104-S108 PolarHBondContact O-N 2.73Å; M104-S108 PolarHBondContact O-OG 2.95Å; Y105-S108 PolarHBondContact O-N 3.21Å; S108-N110 PolarHBondContact O-N 3.24Å; S108-R111 WeakPolarHBondContact O-CB 3.44Å; S108-R111 PolarHBondContact O-N 3.5Å; S108-R111 VanDerWaalsContact O-N 3.15Å; S108-L112 PolarHBondContact O-N 2.84Å
109K83.5Confident81.4Confident40 Ų4057.4 Ų57.417%0.17430%0.297CS..Hα-helixtrans-50.3-52.6177.4179.2175.475173.90112F89 F91 Y105 R111 L112 V113 E123F89-K109 HydrophobicContact CE1-CD 4.09Å; F89-K109 HydrophobicContact CE1-CG 3.72Å; F89-K109 HydrophobicContact CZ-CG 4.1Å; F91-K109 HydrophobicContact CB-CD 4.27Å; F91-K109 HydrophobicContact CD1-CD 4.17Å; F91-K109 HydrophobicContact CG-CD 4.29Å; Y105-K109 WeakPolarHBondContact O-CB 3.3Å; Y105-K109 PolarHBondContact O-N 3.48Å; K109-R111 PolarHBondContact O-N 3.44Å; K109-L112 PolarHBondContact O-N 3.19Å; K109-V113 HydrophobicContact CG-CG2 4.28Å; K109-V113 WeakPolarHBondContact O-CB 3.44Å; K109-V113 VanDerWaalsContact O-CG2 3.3Å; K109-V113 WeakPolarHBondContact O-CG2 3.15Å; K109-V113 PolarHBondContact O-N 2.76Å; K109-E123 IonicContact NZ-OE2 3.74Å; K109-E123 PolarHBondContact NZ-OE2 2.89Å
110N81.5Confident81.8Confident101 Ų10154.8 Ų54.854%0.5428%0.276SS..Hα-helixtrans-61.6-37.8-175.4-69.4-19000111.4S108 Q114S108-N110 PolarHBondContact O-N 3.24Å; N110-Q114 WeakPolarHBondContact O-CB 3.42Å; N110-Q114 VanDerWaalsContact O-CG 3.24Å; N110-Q114 WeakPolarHBondContact O-CG 3.34Å; N110-Q114 PolarHBondContact O-N 2.79Å
111R84.1Confident82.3Confident129 Ų12951.6 Ų51.649%0.48726%0.263SS..Hα-helixtrans-67.7-44.6178.3-171.858.5171.6173.3-0.7111.4V7 S108 K109 Q114 I115V7-R111 HydrophobicContact CG1-CB 4.49Å; S108-R111 WeakPolarHBondContact O-CB 3.44Å; S108-R111 PolarHBondContact O-N 3.5Å; S108-R111 VanDerWaalsContact O-N 3.15Å; K109-R111 PolarHBondContact O-N 3.44Å; R111-Q114 PolarHBondContact O-N 2.82Å; R111-I115 HydrophobicContact CG-CD1 3.95Å; R111-I115 VanDerWaalsContact O-CG1 3.32Å; R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.4Å
112L83.3Confident82.9Confident0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-64.1-44.7179.1-172.362.8000111.9V10 L14 L18 I34 V43 H69 F89 S108 K109 Q114 I115 A116V10-L112 HydrophobicContact CG1-CD1 4Å; V10-L112 HydrophobicContact CG2-CD1 3.93Å; L14-L112 HydrophobicContact CD2-CD1 4.39Å; L18-L112 HydrophobicContact CD1-CD1 3.71Å; I34-L112 HydrophobicContact CD1-CD1 4.35Å; I34-L112 HydrophobicContact CD1-CD2 3.9Å; I34-L112 HydrophobicContact CG2-CD2 4.1Å; V43-L112 HydrophobicContact CG1-CD1 4.3Å; V43-L112 HydrophobicContact CG1-CD2 4.29Å; H69-L112 HydrophobicContact CB-CD2 3.49Å; H69-L112 VanDerWaalsContact CB-CD2 3.49Å; H69-L112 WeakPolarHBondContact CD2-CD2 3.36Å; F89-L112 HydrophobicContact CE2-CB 4.5Å; F89-L112 HydrophobicContact CE2-CD2 3.55Å; F89-L112 HydrophobicContact CE2-CG 3.97Å; F89-L112 HydrophobicContact CZ-CD2 3.94Å; S108-L112 PolarHBondContact O-N 2.84Å; K109-L112 PolarHBondContact O-N 3.19Å; L112-Q114 VanDerWaalsContact C-N 3.34Å; L112-Q114 PolarHBondContact O-N 3.06Å; L112-I115 PolarHBondContact O-N 2.92Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.03Å
113V84.6Confident83.3Confident16 Ų1651 Ų5110%0.09726%0.26CS..Hα-helixtrans-59-44.8175.2165.70000111.4F89 K109 A116 E117 L118 I121F89-V113 HydrophobicContact CD1-CG2 4.07Å; F89-V113 HydrophobicContact CD2-CG2 4.25Å; F89-V113 HydrophobicContact CE1-CG2 4.09Å; F89-V113 HydrophobicContact CE2-CG2 4.26Å; F89-V113 HydrophobicContact CG-CG2 4.08Å; F89-V113 HydrophobicContact CZ-CG2 4.13Å; K109-V113 HydrophobicContact CG-CG2 4.28Å; K109-V113 WeakPolarHBondContact O-CB 3.44Å; K109-V113 VanDerWaalsContact O-CG2 3.3Å; K109-V113 WeakPolarHBondContact O-CG2 3.15Å; K109-V113 PolarHBondContact O-N 2.76Å; V113-A116 PolarHBondContact O-N 3.26Å; V113-E117 WeakPolarHBondContact O-CA 3.2Å; V113-E117 PolarHBondContact O-N 2.81Å; V113-L118 WeakPolarHBondContact CG1-O 3.42Å; V113-L118 PolarHBondContact O-N 3.38Å; V113-I121 HydrophobicContact CB-CD1 4.32Å; V113-I121 HydrophobicContact CG1-CD1 3.35Å; V113-I121 HydrophobicContact CG1-CG1 3.96Å; V113-I121 HydrophobicContact CG2-CD1 4.01Å; V113-I121 HydrophobicContact CG2-CG1 4.05Å; V113-I121 HydrophobicContact CG2-CG2 4.38Å
114Q83.6Confident83.5Confident128 Ų12848 Ų4860%0.59825%0.245SC*.Hα-helixtrans-62.7-44.3177.7-78.1176-3.600112N110 R111 L112 E117N110-Q114 WeakPolarHBondContact O-CB 3.42Å; N110-Q114 VanDerWaalsContact O-CG 3.24Å; N110-Q114 WeakPolarHBondContact O-CG 3.34Å; N110-Q114 PolarHBondContact O-N 2.79Å; R111-Q114 PolarHBondContact O-N 2.82Å; L112-Q114 VanDerWaalsContact C-N 3.34Å; L112-Q114 PolarHBondContact O-N 3.06Å; Q114-E117 PolarHBondContact O-N 2.87Å
115I84.4Confident83.5Confident43 Ų4354.5 Ų54.522%0.22127%0.269CS..Hα-helixtrans-67.7-39.5-179.7-71.5168.1000111.4V10 R15 R111 L112 E117V10-I115 HydrophobicContact CB-CD1 3.86Å; V10-I115 HydrophobicContact CG2-CD1 3.64Å; R15-I115 HydrophobicContact CB-CG2 4.21Å; R15-I115 HydrophobicContact CG-CG2 3.62Å; R111-I115 HydrophobicContact CG-CD1 3.95Å; R111-I115 VanDerWaalsContact O-CG1 3.32Å; R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.4Å; L112-I115 PolarHBondContact O-N 2.92Å; I115-E117 VanDerWaalsContact C-N 3.26Å; I115-E117 PolarHBondContact O-N 2.81Å
116A81.9Confident83.3Confident7 Ų756.9 Ų56.96%0.05828%0.282CS..Hα-helixtrans-80.3-8.2179.100000113.2L18 L112 V113 L118L18-A116 HydrophobicContact CB-CB 4.48Å; L18-A116 HydrophobicContact CD1-CB 4.22Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.03Å; V113-A116 PolarHBondContact O-N 3.26Å; A116-L118 HydrophobicContact CB-CD1 3.54Å; A116-L118 HydrophobicContact CB-CG 3.58Å; A116-L118 PolarHBondContact O-N 3.37Å
117E83.6Confident83.1Confident121 Ų12155.4 Ų55.457%0.56527%0.27SS*.THydrogen-bonded Turntrans49.340.1-174-64.2179.2-153.700112.6R22 V113 Q114 I115R22-E117 IonicContact CZ-OE2 3.73Å; R22-E117 IonicContact NH1-OE1 3.52Å; R22-E117 IonicContact NH1-OE2 3.51Å; R22-E117 PolarHBondContact NH1-OE2 2.99Å; R22-E117 IonicContact NH2-OE2 2.92Å; R22-E117 PolarHBondContact NH2-OE2 2.83Å; V113-E117 WeakPolarHBondContact O-CA 3.2Å; V113-E117 PolarHBondContact O-N 2.81Å; Q114-E117 PolarHBondContact O-N 2.87Å; I115-E117 VanDerWaalsContact C-N 3.26Å; I115-E117 PolarHBondContact O-N 2.81Å
118L83.7Confident82.9Confident12 Ų1259 Ų596%0.06329%0.286CS..  trans-82.7127.4-178.6-66.2169.1000109.9V71 L87 F89 V113 A116V71-L118 HydrophobicContact CG1-CD1 4.11Å; V71-L118 HydrophobicContact CG1-CD2 4.36Å; V71-L118 HydrophobicContact CG2-CD1 3.94Å; L87-L118 HydrophobicContact CB-CD2 3.9Å; L87-L118 HydrophobicContact CD2-CD2 3.39Å; L87-L118 HydrophobicContact CG-CD2 3.53Å; F89-L118 HydrophobicContact CB-CB 4.29Å; F89-L118 HydrophobicContact CB-CD1 3.75Å; F89-L118 HydrophobicContact CD2-CD1 3.57Å; F89-L118 HydrophobicContact CG-CD1 4.12Å; V113-L118 WeakPolarHBondContact CG1-O 3.42Å; V113-L118 PolarHBondContact O-N 3.38Å; A116-L118 HydrophobicContact CB-CD1 3.54Å; A116-L118 HydrophobicContact CB-CG 3.58Å; A116-L118 PolarHBondContact O-N 3.37Å
119T81.9Confident82.8Confident114 Ų11462.9 Ų62.970%0.69931%0.307SS*.  trans-96.4-26.5179.753.90000112.7
120K87Confident82.8Confident40 Ų4061 Ų6117%0.17430%0.298CS..EExtended strand (participates in β ladder)trans-100.6101.2-177.9-56.2-168.1-178.1-161.80109.3P86 F89 F122 L139 F142P86-K120 HydrophobicContact CB-CD 3.94Å; F89-K120 PolarHBondContact N-O 3.46Å; K120-F122 HydrophobicContact CB-CE2 3.87Å; K120-F122 HydrophobicContact CB-CZ 4.03Å; K120-L139 HydrophobicContact CD-CD2 3.59Å; K120-F142 HydrophobicContact CG-CD1 4.47Å
121I88.4Confident83.1Confident72 Ų7257.9 Ų57.937%0.36928%0.283SS..EExtended strand (participates in β ladder)trans-118.7119.8-174-52.1158.6000108F89 V113F89-I121 HydrophobicContact CB-CG1 4.43Å; F89-I121 HydrophobicContact CD1-CG2 3.85Å; F89-I121 CarbonylContact O-C 3.44Å; F89-I121 WeakPolarHBondContact O-CA 3.5Å; V113-I121 HydrophobicContact CB-CD1 4.32Å; V113-I121 HydrophobicContact CG1-CD1 3.35Å; V113-I121 HydrophobicContact CG1-CG1 3.96Å; V113-I121 HydrophobicContact CG2-CD1 4.01Å; V113-I121 HydrophobicContact CG2-CG1 4.05Å; V113-I121 HydrophobicContact CG2-CG2 4.38Å
122F88.4Confident83.1Confident10 Ų1055.2 Ų55.24%0.04428%0.276CS..EExtended strand (participates in β ladder)trans-121.8154.3-179.4-53.1-63.9000110C88 F89 I90 F91 K120 W134 L135 Q138 F142C88-F122 HydrophobicContact CB-CD2 4.1Å; C88-F122 HydrophobicContact CB-CE2 3.93Å; F89-F122 PolarHBondContact O-N 3.42Å; I90-F122 CarbonylContact C-O 3.6Å; I90-F122 WeakPolarHBondContact CA-O 3.4Å; I90-F122 HydrophobicContact CG1-CB 4.35Å; I90-F122 HydrophobicContact CG1-CD2 4.29Å; F91-F122 PolarHBondContact N-O 2.76Å; K120-F122 HydrophobicContact CB-CE2 3.87Å; K120-F122 HydrophobicContact CB-CZ 4.03Å; F122-W134 HydrophobicContact CB-CH2 3.52Å; F122-W134 HydrophobicContact CB-CZ2 4.12Å; F122-W134 HydrophobicContact CB-CZ3 4.42Å; F122-W134 HydrophobicContact CG-CH2 4.24Å; F122-L135 HydrophobicContact CD2-CD1 4.23Å; F122-L135 HydrophobicContact CE2-CD1 4.13Å; F122-Q138 HydrophobicContact CD1-CB 3.79Å; F122-Q138 HydrophobicContact CD1-CG 3.92Å; F122-Q138 HydrophobicContact CE1-CB 3.5Å; F122-Q138 VanDerWaalsContact CE1-CB 3.5Å; F122-Q138 HydrophobicContact CE1-CG 4.13Å; F122-Q138 HydrophobicContact CE2-CB 4.36Å; F122-Q138 HydrophobicContact CG-CB 4.35Å; F122-Q138 HydrophobicContact CG-CG 4.42Å; F122-Q138 HydrophobicContact CZ-CB 3.81Å; F122-F142 HydrophobicContact CE1-CD2 4.31Å; F122-F142 AromaticContact CE1-CE2 3.58Å; F122-F142 HydrophobicContact CE1-CE2 3.58Å; F122-F142 HydrophobicContact CE1-CZ 4.39Å; F122-F142 HydrophobicContact CZ-CD2 4.12Å; F122-F142 AromaticContact CZ-CE2 3.75Å; F122-F142 HydrophobicContact CZ-CE2 3.75Å
123E85.4Confident83.3Confident86 Ų8662.3 Ų62.340%0.40231%0.309SS..EExtended strand (participates in β ladder)trans-132.7132.9177.3-176.5171145.800108.6F91 K109F91-E123 HydrophobicContact CB-CB 4.5Å; F91-E123 HydrophobicContact CB-CG 4.4Å; F91-E123 HydrophobicContact CD1-CG 3.77Å; F91-E123 HydrophobicContact CG-CG 4.49Å; F91-E123 CarbonylContact O-C 3.57Å; F91-E123 WeakPolarHBondContact O-CA 3.12Å; K109-E123 IonicContact NZ-OE2 3.74Å; K109-E123 PolarHBondContact NZ-OE2 2.89Å
124T84.1Confident83.5Confident5 Ų563.7 Ų63.73%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-126.3141171.7-176.10000110.3I90 F91 S93 N126 L130I90-T124 HydrophobicContact CG2-CG2 4.2Å; F91-T124 PolarHBondContact O-N 2.84Å; S93-T124 PolarHBondContact N-O 3.34Å; T124-N126 PolarHBondContact OG1-N 3.24Å; T124-N126 PolarHBondContact OG1-O 2.91Å; T124-L130 HydrophobicContact CG2-CD1 4.49Å
125R78.9Confident83.7Confident153 Ų15357.6 Ų57.658%0.57728%0.284SS*.SBendtrans-100.3-3175.1-64.3-174.2-178.6-1772112.8S93 P94S93-R125 WeakPolarHBondContact O-CA 2.92Å; P94-R125 VanDerWaalsContact CA-O 3.31Å; P94-R125 WeakPolarHBondContact CA-O 3.28Å
126N77Confident83.8Confident60 Ų6059.2 Ų59.232%0.32129%0.29SS..  trans-133.2132.2172.7-165.5-1.3000109.4T124 D128 D129T124-N126 PolarHBondContact OG1-N 3.24Å; T124-N126 PolarHBondContact OG1-O 2.91Å; N126-D128 WeakPolarHBondContact ND2-CB 3.28Å; N126-D128 PolarHBondContact ND2-OD2 2.53Å; N126-D128 PolarHBondContact O-N 3.03Å; N126-D128 PolarHBondContact OD1-N 3.48Å; N126-D128 VanDerWaalsContact OD1-N 3.13Å; N126-D128 PolarHBondContact OD1-OD2 2.81Å; N126-D129 HydrophobicContact CB-CB 4.45Å; N126-D129 PolarHBondContact O-N 2.83Å
127A74.8Confident84Confident12 Ų1264.3 Ų64.310%0.09932%0.316CS..SBendtrans-64.3-30.3172.600000110.7R58 D129 L130R58-A127 WeakPolarHBondContact CG-O 3.32Å; A127-D129 PolarHBondContact O-N 3.27Å; A127-L130 WeakPolarHBondContact O-CB 3.39Å; A127-L130 PolarHBondContact O-N 3.45Å
128D78.3Confident84.2Confident90 Ų9061.9 Ų61.948%0.48131%0.305SS..THydrogen-bonded Turntrans-62.2-29.8178.7-54.7-34.4000113N126 L130N126-D128 WeakPolarHBondContact ND2-CB 3.28Å; N126-D128 PolarHBondContact ND2-OD2 2.53Å; N126-D128 PolarHBondContact O-N 3.03Å; N126-D128 PolarHBondContact OD1-N 3.48Å; N126-D128 VanDerWaalsContact OD1-N 3.13Å; N126-D128 PolarHBondContact OD1-OD2 2.81Å; D128-L130 PolarHBondContact O-N 2.73Å
129D81.1Confident84.2Confident82 Ų8261.7 Ų61.744%0.43930%0.304SS..THydrogen-bonded Turntrans-74.1-12.4178.9-64.5-19.8000112.1N126 A127 T131 W134N126-D129 HydrophobicContact CB-CB 4.45Å; N126-D129 PolarHBondContact O-N 2.83Å; A127-D129 PolarHBondContact O-N 3.27Å; D129-T131 PolarHBondContact O-N 3.28Å; D129-W134 WeakPolarHBondContact O-CB 3.32Å; D129-W134 VanDerWaalsContact O-CG 3.27Å
130L83.3Confident84.2Confident0 Ų058.7 Ų58.70%029%0.291CS..  trans-75.367.2-179.7-165.576.2000111.3L54 L57 L61 I70 I90 T124 A127 D128 W134L54-L130 HydrophobicContact CD2-CD2 4.46Å; L54-L130 HydrophobicContact CD2-CG 4.2Å; L57-L130 HydrophobicContact CD2-CD2 4.37Å; L61-L130 HydrophobicContact CD1-CD2 3.45Å; L61-L130 VanDerWaalsContact CD1-CD2 3.45Å; I70-L130 HydrophobicContact CD1-CD2 3.83Å; I90-L130 HydrophobicContact CB-CD1 4.45Å; I90-L130 HydrophobicContact CD1-CD1 3.82Å; I90-L130 HydrophobicContact CG2-CD1 3.66Å; T124-L130 HydrophobicContact CG2-CD1 4.49Å; A127-L130 WeakPolarHBondContact O-CB 3.39Å; A127-L130 PolarHBondContact O-N 3.45Å; D128-L130 PolarHBondContact O-N 2.73Å; L130-W134 HydrophobicContact CD1-CE3 4.48Å; L130-W134 HydrophobicContact CD1-CZ3 4.06Å
131T86.4Confident83.7Confident36 Ų3665.1 Ų65.122%0.22132%0.319CS..  trans-111161.1-179.158.70000111.7D129 E133 W134 L135D129-T131 PolarHBondContact O-N 3.28Å; T131-E133 VanDerWaalsContact C-N 3.27Å; T131-E133 PolarHBondContact O-N 3.44Å; T131-W134 PolarHBondContact O-N 3.3Å; T131-W134 WeakPolarHBondContact OG1-CB 3.46Å; T131-W134 PolarHBondContact OG1-N 3.28Å; T131-L135 PolarHBondContact O-N 2.88Å
132E85.8Confident82.7Confident73 Ų7366.2 Ų66.234%0.34132%0.321SS..Hα-helixtrans-59.6-38.6175.5-162-171.7168.700112.2Y74 L135 K136Y74-E132 HydrophobicContact CE2-CG 3.92Å; Y74-E132 PolarHBondContact OH-OE1 3.45Å; E132-L135 PolarHBondContact O-N 2.95Å; E132-K136 VanDerWaalsContact CD-NZ 3.27Å; E132-K136 HydrophobicContact CG-CD 4.39Å; E132-K136 WeakPolarHBondContact O-CB 3.43Å; E132-K136 VanDerWaalsContact O-CG 3.28Å; E132-K136 WeakPolarHBondContact O-CG 3.29Å; E132-K136 PolarHBondContact O-N 2.83Å; E132-K136 WeakPolarHBondContact OE1-CE 3.38Å; E132-K136 IonicContact OE1-NZ 3.92Å; E132-K136 PolarHBondContact OE1-NZ 3.27Å; E132-K136 IonicContact OE2-NZ 3.58Å
133E87.2Confident81.3Confident149 Ų14975.5 Ų75.570%0.69636%0.356SS*.Hα-helixtrans-63.2-45.6176.3-66-171.7167.900111.9T131 L135 K136 N137T131-E133 VanDerWaalsContact C-N 3.27Å; T131-E133 PolarHBondContact O-N 3.44Å; E133-L135 PolarHBondContact O-N 3.23Å; E133-K136 PolarHBondContact O-N 3.38Å; E133-N137 WeakPolarHBondContact O-CB 3.33Å; E133-N137 VanDerWaalsContact O-CG 3.24Å; E133-N137 PolarHBondContact O-N 3.46Å; E133-N137 PolarHBondContact O-ND2 3.39Å
134W87.9Confident81Confident44 Ų4475 Ų7517%0.16735%0.353CS..Hα-helixtrans-58.5-48.1175.8175.190.7000111I90 F122 D129 L130 T131 K136 N137 Q138I90-W134 HydrophobicContact CD1-CZ3 4.1Å; I90-W134 HydrophobicContact CG1-CH2 4.47Å; I90-W134 HydrophobicContact CG1-CZ3 4.3Å; I90-W134 HydrophobicContact CG2-CH2 3.87Å; I90-W134 HydrophobicContact CG2-CZ3 4.16Å; F122-W134 HydrophobicContact CB-CH2 3.52Å; F122-W134 HydrophobicContact CB-CZ2 4.12Å; F122-W134 HydrophobicContact CB-CZ3 4.42Å; F122-W134 HydrophobicContact CG-CH2 4.24Å; D129-W134 WeakPolarHBondContact O-CB 3.32Å; D129-W134 VanDerWaalsContact O-CG 3.27Å; L130-W134 HydrophobicContact CD1-CE3 4.48Å; L130-W134 HydrophobicContact CD1-CZ3 4.06Å; T131-W134 PolarHBondContact O-N 3.3Å; T131-W134 WeakPolarHBondContact OG1-CB 3.46Å; T131-W134 PolarHBondContact OG1-N 3.28Å; W134-K136 PolarHBondContact O-N 2.88Å; W134-N137 WeakPolarHBondContact O-CB 3.49Å; W134-N137 PolarHBondContact O-N 2.93Å; W134-Q138 HydrophobicContact CD2-CG 4.03Å; W134-Q138 HydrophobicContact CE3-CG 4.38Å; W134-Q138 HydrophobicContact CH2-CG 4.3Å; W134-Q138 HydrophobicContact CZ2-CG 3.93Å; W134-Q138 HydrophobicContact CZ3-CG 4.49Å; W134-Q138 WeakPolarHBondContact O-CG 3.02Å; W134-Q138 PolarHBondContact O-N 3.19Å
135L87.3Confident80.9Confident0 Ų078.6 Ų78.60%037%0.37CS..Hα-helixtrans-64.7-40.7179.4-17666.2000111.7L54 Y72 Y74 C88 I90 F122 T131 E132 E133 N137 Q138 L139L54-L135 HydrophobicContact CD1-CB 3.55Å; L54-L135 HydrophobicContact CD1-CD2 3.61Å; L54-L135 HydrophobicContact CD1-CG 4.18Å; Y72-L135 HydrophobicContact CD1-CD2 3.59Å; Y72-L135 HydrophobicContact CE1-CD2 3.7Å; Y74-L135 HydrophobicContact CD1-CD2 4.06Å; Y74-L135 HydrophobicContact CD2-CD2 4.22Å; Y74-L135 HydrophobicContact CG-CD2 3.7Å; C88-L135 HydrophobicContact CB-CD1 4.26Å; I90-L135 HydrophobicContact CD1-CD1 4.28Å; F122-L135 HydrophobicContact CD2-CD1 4.23Å; F122-L135 HydrophobicContact CE2-CD1 4.13Å; T131-L135 PolarHBondContact O-N 2.88Å; E132-L135 PolarHBondContact O-N 2.95Å; E133-L135 PolarHBondContact O-N 3.23Å; L135-N137 VanDerWaalsContact C-N 3.31Å; L135-N137 PolarHBondContact O-N 2.78Å; L135-Q138 PolarHBondContact O-N 3.36Å; L135-L139 HydrophobicContact CD1-CD1 4.34Å; L135-L139 HydrophobicContact CD1-CG 4.26Å; L135-L139 HydrophobicContact CD2-CD1 4.23Å; L135-L139 HydrophobicContact CG-CD1 3.86Å; L135-L139 HydrophobicContact CG-CG 4.21Å; L135-L139 VanDerWaalsContact O-CB 3.32Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.87Å
136K86.4Confident81Confident77 Ų7774.5 Ų74.534%0.33536%0.359SS..Hα-helixtrans-59.6-42.7175.3-78.3174.6-178.7162.50111.6Y74 Y76 E132 E133 W134 L139 A140Y74-K136 HydrophobicContact CE1-CG 4.35Å; Y74-K136 WeakPolarHBondContact OH-CE 3.4Å; Y76-K136 HydrophobicContact CD2-CG 4.46Å; Y76-K136 HydrophobicContact CE2-CB 4.36Å; Y76-K136 HydrophobicContact CE2-CG 4Å; E132-K136 VanDerWaalsContact CD-NZ 3.27Å; E132-K136 HydrophobicContact CG-CD 4.39Å; E132-K136 WeakPolarHBondContact O-CB 3.43Å; E132-K136 VanDerWaalsContact O-CG 3.28Å; E132-K136 WeakPolarHBondContact O-CG 3.29Å; E132-K136 PolarHBondContact O-N 2.83Å; E132-K136 WeakPolarHBondContact OE1-CE 3.38Å; E132-K136 IonicContact OE1-NZ 3.92Å; E132-K136 PolarHBondContact OE1-NZ 3.27Å; E132-K136 IonicContact OE2-NZ 3.58Å; E133-K136 PolarHBondContact O-N 3.38Å; W134-K136 PolarHBondContact O-N 2.88Å; K136-L139 PolarHBondContact O-N 3.08Å; K136-A140 WeakPolarHBondContact O-CB 3.5Å; K136-A140 PolarHBondContact O-N 2.95Å
137N87.7Confident81.2Confident115 Ų11575.4 Ų75.462%0.61536%0.361SS*.Hα-helixtrans-63.7-43.7176.8-72.5-29.3000111.6E133 W134 L135 A140E133-N137 WeakPolarHBondContact O-CB 3.33Å; E133-N137 VanDerWaalsContact O-CG 3.24Å; E133-N137 PolarHBondContact O-N 3.46Å; E133-N137 PolarHBondContact O-ND2 3.39Å; W134-N137 WeakPolarHBondContact O-CB 3.49Å; W134-N137 PolarHBondContact O-N 2.93Å; L135-N137 VanDerWaalsContact C-N 3.31Å; L135-N137 PolarHBondContact O-N 2.78Å; N137-A140 PolarHBondContact O-N 3.06Å
138Q86.4Confident81.6Confident69 Ų6979.3 Ų79.332%0.32238%0.377SS..Hα-helixtrans-62.8-42.6175.2-71.8-54.2-44.600112.1F122 W134 L135 F141 F142F122-Q138 HydrophobicContact CD1-CB 3.79Å; F122-Q138 HydrophobicContact CD1-CG 3.92Å; F122-Q138 HydrophobicContact CE1-CB 3.5Å; F122-Q138 VanDerWaalsContact CE1-CB 3.5Å; F122-Q138 HydrophobicContact CE1-CG 4.13Å; F122-Q138 HydrophobicContact CE2-CB 4.36Å; F122-Q138 HydrophobicContact CG-CB 4.35Å; F122-Q138 HydrophobicContact CG-CG 4.42Å; F122-Q138 HydrophobicContact CZ-CB 3.81Å; W134-Q138 HydrophobicContact CD2-CG 4.03Å; W134-Q138 HydrophobicContact CE3-CG 4.38Å; W134-Q138 HydrophobicContact CH2-CG 4.3Å; W134-Q138 HydrophobicContact CZ2-CG 3.93Å; W134-Q138 HydrophobicContact CZ3-CG 4.49Å; W134-Q138 WeakPolarHBondContact O-CG 3.02Å; W134-Q138 PolarHBondContact O-N 3.19Å; L135-Q138 PolarHBondContact O-N 3.36Å; Q138-F141 WeakPolarHBondContact O-CB 3.38Å; Q138-F141 PolarHBondContact O-N 3.34Å; Q138-F142 WeakPolarHBondContact O-CD2 3.28Å
139L84.1Confident81.9Confident9 Ų978.6 Ų78.65%0.04737%0.371CS..Hα-helixtrans-69.6-31.2178.2-76.2175.1000113.3Y74 Y76 P86 K120 L135 K136 F141 F142Y74-L139 HydrophobicContact CD1-CD1 3.71Å; Y74-L139 HydrophobicContact CE1-CD1 4.4Å; Y76-L139 HydrophobicContact CD2-CB 4.28Å; Y76-L139 HydrophobicContact CD2-CD1 3.71Å; Y76-L139 HydrophobicContact CE2-CB 4.22Å; Y76-L139 HydrophobicContact CE2-CD1 4.4Å; Y76-L139 HydrophobicContact CG-CD1 4.49Å; P86-L139 HydrophobicContact CB-CD2 3.77Å; P86-L139 HydrophobicContact CG-CD1 3.76Å; P86-L139 HydrophobicContact CG-CD2 3.82Å; P86-L139 HydrophobicContact CG-CG 4.46Å; K120-L139 HydrophobicContact CD-CD2 3.59Å; L135-L139 HydrophobicContact CD1-CD1 4.34Å; L135-L139 HydrophobicContact CD1-CG 4.26Å; L135-L139 HydrophobicContact CD2-CD1 4.23Å; L135-L139 HydrophobicContact CG-CD1 3.86Å; L135-L139 HydrophobicContact CG-CG 4.21Å; L135-L139 VanDerWaalsContact O-CB 3.32Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.87Å; K136-L139 PolarHBondContact O-N 3.08Å; L139-F141 PolarHBondContact O-N 3.36Å; L139-F142 PolarHBondContact O-N 3.05Å; L139-F142 VanDerWaalsContact O-N 3.08Å
140A81.8Confident81.9Confident51 Ų5178.4 Ų78.442%0.42137%0.366SS..Hα-helixtrans-61.7-26.4176.100000112.4K136 N137 F142 R143K136-A140 WeakPolarHBondContact O-CB 3.5Å; K136-A140 PolarHBondContact O-N 2.95Å; N137-A140 PolarHBondContact O-N 3.06Å; A140-F142 VanDerWaalsContact C-N 3.27Å; A140-F142 PolarHBondContact O-N 3.43Å; A140-R143 WeakPolarHBondContact O-CB 3.34Å; A140-R143 PolarHBondContact O-N 3.43Å
141F76.6Confident81.8Confident175 Ų17584.4 Ų84.477%0.76839%0.394SS*.THydrogen-bonded Turntrans-68.5-24.2175.3-170.3-98.1000113.5Q138 L139Q138-F141 WeakPolarHBondContact O-CB 3.38Å; Q138-F141 PolarHBondContact O-N 3.34Å; L139-F141 PolarHBondContact O-N 3.36Å
142F67.9Low81.4Confident94 Ų9488.4 Ų88.441%0.41241%0.408SS..THydrogen-bonded Turntrans-97.719.1-179.7-68.7-93.2000112.8K120 F122 Q138 L139 A140K120-F142 HydrophobicContact CG-CD1 4.47Å; F122-F142 HydrophobicContact CE1-CD2 4.31Å; F122-F142 AromaticContact CE1-CE2 3.58Å; F122-F142 HydrophobicContact CE1-CE2 3.58Å; F122-F142 HydrophobicContact CE1-CZ 4.39Å; F122-F142 HydrophobicContact CZ-CD2 4.12Å; F122-F142 AromaticContact CZ-CE2 3.75Å; F122-F142 HydrophobicContact CZ-CE2 3.75Å; Q138-F142 WeakPolarHBondContact O-CD2 3.28Å; L139-F142 PolarHBondContact O-N 3.05Å; L139-F142 VanDerWaalsContact O-N 3.08Å; A140-F142 VanDerWaalsContact C-N 3.27Å; A140-F142 PolarHBondContact O-N 3.43Å
143R58Low81Confident205 Ų20589.8 Ų89.877%0.77441%0.414SS*.  trans-89.50-177-156.3177.5-170.4-171.71.3112.4A140A140-R143 WeakPolarHBondContact O-CB 3.34Å; A140-R143 PolarHBondContact O-N 3.43Å

Retrieved 143 of 143 residues in 116.6 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).