A0A087YNP3_POEFO Loading...

Fatty acid-binding protein, liver-type

AlphaFold DB , UniProt , Accession A0A087YNP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 129 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
1Q43.7Very low82.1Confident211 Ų21170.4 Ų70.499%0.98636%0.355SS*.  0122.40-99.2169.5-1400108M3Q1-M3 PolarHBondContact O-N 3.22Å
2K55.8Low82.8Confident201 Ų20172.3 Ų72.387%0.87436%0.362SS*.  trans-79.7101-177.4-148.1177.1-173.3-176.50107.6A4K2-A4 PolarHBondContact O-N 2.82Å
3M72.6Confident83.4Confident96 Ų9670 Ų7047%0.47336%0.357SS..  trans-74.469.3174.5-63.1170.9178.400109Q1 F5 S6Q1-M3 PolarHBondContact O-N 3.22Å; M3-F5 PolarHBondContact O-N 3.08Å; M3-S6 PolarHBondContact O-N 2.83Å
4A83.3Confident83.9Confident38 Ų3868.2 Ų68.231%0.31435%0.346SS..THydrogen-bonded Turntrans-62.3-33.7-169.700000111.9K2 W9 V106K2-A4 PolarHBondContact O-N 2.82Å; A4-W9 WeakPolarHBondContact O-CZ2 3.43Å; A4-V106 HydrophobicContact CB-CB 4.16Å; A4-V106 HydrophobicContact CB-CG1 4.36Å
5F88.4Confident84.4Confident4 Ų471.9 Ų71.92%0.01836%0.361CS..THydrogen-bonded Turntrans-80.3-22.6-179.8-65.1-89.8000113.3M3 G7 W9 V43 F50 W52 M88 G91 L93 N104 V106 L111M3-F5 PolarHBondContact O-N 3.08Å; F5-G7 PolarHBondContact O-N 3.19Å; F5-W9 PolarHBondContact O-NE1 3.36Å; F5-V43 HydrophobicContact CB-CG1 4Å; F5-V43 WeakPolarHBondContact O-CB 3.08Å; F5-F50 HydrophobicContact CB-CE1 4.25Å; F5-F50 HydrophobicContact CD2-CE1 4.36Å; F5-F50 HydrophobicContact CG-CE1 4.43Å; F5-W52 HydrophobicContact CD1-CZ3 4.43Å; F5-M88 HydrophobicContact CD2-CE 4.5Å; F5-M88 HydrophobicContact CE2-CE 4.13Å; F5-M88 HydrophobicContact CE2-SD 4.4Å; F5-G91 WeakPolarHBondContact CE2-O 3.47Å; F5-L93 HydrophobicContact CD1-CD1 3.9Å; F5-L93 HydrophobicContact CD2-CD1 4.33Å; F5-L93 HydrophobicContact CE1-CD1 3.78Å; F5-L93 HydrophobicContact CE1-CG 4.17Å; F5-L93 HydrophobicContact CE2-CD1 4.22Å; F5-L93 HydrophobicContact CE2-CG 4.09Å; F5-L93 HydrophobicContact CG-CD1 4.19Å; F5-L93 HydrophobicContact CZ-CD1 3.95Å; F5-L93 HydrophobicContact CZ-CG 3.86Å; F5-N104 HydrophobicContact CE1-CB 4.23Å; F5-N104 WeakPolarHBondContact CZ-O 3.1Å; F5-V106 HydrophobicContact CD1-CG2 3.53Å; F5-V106 HydrophobicContact CD2-CG2 4.45Å; F5-V106 HydrophobicContact CE1-CG2 3.7Å; F5-V106 HydrophobicContact CG-CG2 3.93Å; F5-V106 HydrophobicContact CZ-CG2 4.23Å; F5-L111 HydrophobicContact CD1-CD1 3.85Å; F5-L111 HydrophobicContact CE1-CD1 3.92Å
6S92Very high84.7Confident30 Ų3069.6 Ų69.621%0.2136%0.362CS..  trans-62.3125.6-176.1-73.80000112.3M3 V43 Q45 K128M3-S6 PolarHBondContact O-N 2.83Å; S6-V43 WeakPolarHBondContact CA-O 3.46Å; S6-Q45 WeakPolarHBondContact OG-CB 3.44Å; S6-Q45 PolarHBondContact OG-N 2.91Å; S6-K128 PolarHBondContact O-NZ 3.06Å; S6-K128 VanDerWaalsContact O-NZ 3.09Å
7G92.6Very high84.9Confident25 Ų2566.9 Ų66.926%0.25835%0.346SS..EExtended strand (participates in β ladder)trans142.3-174.3179.900000112.9F5 V43F5-G7 PolarHBondContact O-N 3.19Å; G7-V43 PolarHBondContact N-O 2.69Å; G7-V43 PolarHBondContact O-N 2.91Å
8K94.5Very high85.1Confident93 Ų9365.9 Ų65.940%0.40434%0.342SS..EExtended strand (participates in β ladder)trans-104.3140172.9-68-177.8178.2-176.80109.3V40 T41 E42 K128 I129K8-V40 HydrophobicContact CB-CG1 4.28Å; K8-T41 CarbonylContact C-O 3.56Å; K8-T41 WeakPolarHBondContact CA-O 3.26Å; K8-E42 WeakPolarHBondContact CE-OE1 3.45Å; K8-E42 HydrophobicContact CG-CB 4.07Å; K8-E42 HydrophobicContact CG-CG 4.02Å; K8-E42 IonicContact NZ-OE1 3.65Å; K8-K128 WeakPolarHBondContact O-CA 3.05Å; K8-I129 HydrophobicContact CB-CD1 4.09Å; K8-I129 HydrophobicContact CB-CG1 3.56Å; K8-I129 PolarHBondContact O-N 3.17Å
9W94.8Very high85.4Confident1 Ų165.2 Ų65.20%0.00435%0.346CS..EExtended strand (participates in β ladder)trans-131.3116.1-174.6-51.390.9000108.6A4 F5 V40 T41 V106 L111 K127 K128A4-W9 WeakPolarHBondContact O-CZ2 3.43Å; F5-W9 PolarHBondContact O-NE1 3.36Å; W9-V40 CarbonylContact O-C 3.5Å; W9-V40 WeakPolarHBondContact O-CA 3.31Å; W9-T41 PolarHBondContact N-O 2.79Å; W9-T41 PolarHBondContact O-N 2.9Å; W9-V106 HydrophobicContact CH2-CG1 3.7Å; W9-V106 HydrophobicContact CH2-CG2 4.02Å; W9-V106 HydrophobicContact CZ2-CG1 4.41Å; W9-V106 HydrophobicContact CZ2-CG2 4.03Å; W9-V106 HydrophobicContact CZ3-CG1 4.46Å; W9-L111 HydrophobicContact CB-CB 4.33Å; W9-L111 HydrophobicContact CB-CD2 3.96Å; W9-L111 HydrophobicContact CD2-CB 3.56Å; W9-L111 HydrophobicContact CD2-CD2 4.11Å; W9-L111 HydrophobicContact CD2-CG 4.43Å; W9-L111 HydrophobicContact CE3-CB 3.45Å; W9-L111 VanDerWaalsContact CE3-CB 3.45Å; W9-L111 HydrophobicContact CG-CB 3.96Å; W9-L111 HydrophobicContact CG-CD2 3.69Å; W9-L111 HydrophobicContact CG-CG 4.47Å; W9-L111 HydrophobicContact CH2-CB 4.49Å; W9-L111 HydrophobicContact CZ3-CB 3.94Å; W9-K127 CarbonylContact C-O 3.52Å; W9-K127 VanDerWaalsContact CA-O 3.24Å; W9-K127 WeakPolarHBondContact CA-O 3.48Å; W9-K128 HydrophobicContact CE3-CB 3.84Å; W9-K128 HydrophobicContact CE3-CG 4.26Å; W9-K128 HydrophobicContact CH2-CB 4.31Å; W9-K128 HydrophobicContact CH2-CD 4.06Å; W9-K128 HydrophobicContact CH2-CG 4.3Å; W9-K128 HydrophobicContact CZ2-CD 4.43Å; W9-K128 HydrophobicContact CZ3-CB 3.69Å; W9-K128 HydrophobicContact CZ3-CD 4.3Å; W9-K128 HydrophobicContact CZ3-CG 4.12Å
10E93.4Very high85.6Confident52 Ų5262.6 Ų62.624%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-91.7129.4175.5-178.2177.8-113.300109.5E12 V40 S126 K127 I129E10-E12 PolarHBondContact O-N 3.09Å; E10-E12 VanDerWaalsContact O-N 3.15Å; E10-V40 HydrophobicContact CB-CG2 4.46Å; E10-V40 HydrophobicContact CG-CG2 4.47Å; E10-S126 CarbonylContact O-C 3.59Å; E10-S126 WeakPolarHBondContact O-CA 3.44Å; E10-S126 WeakPolarHBondContact O-CB 3.44Å; E10-K127 HydrophobicContact CB-CG 4.42Å; E10-K127 PolarHBondContact N-O 3.2Å; E10-K127 PolarHBondContact O-N 2.9Å; E10-K127 WeakPolarHBondContact OE2-CE 3.48Å; E10-K127 IonicContact OE2-NZ 2.69Å; E10-K127 PolarHBondContact OE2-NZ 3.28Å; E10-I129 HydrophobicContact CB-CD1 4.32Å; E10-I129 HydrophobicContact CB-CG2 3.72Å
11L91.9Very high85.6Confident23 Ų2359.8 Ų59.812%0.1232%0.317CS..EExtended strand (participates in β ladder)trans-56.6118.1175.1-173.371.3000110.5T39 R124L11-T39 PolarHBondContact N-O 2.88Å; L11-R124 HydrophobicContact CD1-CB 3.91Å; L11-R124 HydrophobicContact CD1-CG 4.44Å
12E91Very high87.7Confident94 Ų9455.3 Ų55.344%0.43929%0.294SS..EExtended strand (participates in β ladder)trans-98.5-43.6179.4-179.2178.983.500111E10 K110 I125E10-E12 PolarHBondContact O-N 3.09Å; E10-E12 VanDerWaalsContact O-N 3.15Å; E12-K110 IonicContact OE1-NZ 3.96Å; E12-K110 PolarHBondContact OE1-NZ 3.06Å; E12-K110 IonicContact OE2-NZ 2.82Å; E12-I125 WeakPolarHBondContact CA-O 3.33Å; E12-I125 WeakPolarHBondContact CB-O 3.5Å; E12-I125 PolarHBondContact N-O 3.17Å
13S90.3Very high89.2Confident42 Ų4250.5 Ų50.529%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-149.6153.7178.1550000112I125S13-I125 PolarHBondContact N-O 2.89Å; S13-I125 PolarHBondContact O-N 3.43Å; S13-I125 WeakPolarHBondContact OG-CB 3.37Å
14Q90.1Very high89.7Confident45 Ų4548 Ų4821%0.2127%0.268CS..EExtended strand (participates in β ladder)trans-141.7138.6171.762.6178.9-14.700111Y17 R35 K123 R124Q14-Y17 VanDerWaalsContact OE1-CD2 3.24Å; Q14-R35 PolarHBondContact NE2-O 3.4Å; Q14-K123 CarbonylContact C-O 3.49Å; Q14-K123 VanDerWaalsContact CA-O 3.32Å; Q14-K123 WeakPolarHBondContact CA-O 3.45Å; Q14-R124 HydrophobicContact CB-CG 4.15Å
15E91.6Very high89.6Confident123 Ų12349.2 Ų49.258%0.57528%0.283SS*.EExtended strand (participates in β ladder)trans-127.6141.2-179.2-64.7176.9171.200109.1Y17 L122 K123E15-Y17 PolarHBondContact O-N 2.83Å; E15-L122 WeakPolarHBondContact O-CA 3.4Å; E15-L122 VanDerWaalsContact O-CD1 3.26Å; E15-L122 WeakPolarHBondContact O-CD1 3.24Å; E15-K123 PolarHBondContact N-O 3.28Å; E15-K123 PolarHBondContact O-N 3.47Å
16G89.6Confident89.2Confident36 Ų3651.7 Ų51.737%0.37130%0.297SS..SBendtrans73.58178.600000115.5A19 F20G16-A19 PolarHBondContact O-N 2.86Å; G16-F20 VanDerWaalsContact O-CB 3.28Å; G16-F20 WeakPolarHBondContact O-CB 3.14Å; G16-F20 PolarHBondContact O-N 3.18Å
17Y88.1Confident88.8Confident23 Ų2353.4 Ų53.49%0.0931%0.307CS..Hα-helixtrans-53.8-58.6-178.1177.3-101.1000113.1Q14 E15 A19 F20 C21 I31 G34 R35Q14-Y17 VanDerWaalsContact OE1-CD2 3.24Å; E15-Y17 PolarHBondContact O-N 2.83Å; Y17-A19 PolarHBondContact O-N 2.88Å; Y17-F20 PolarHBondContact O-N 2.89Å; Y17-C21 WeakPolarHBondContact CE2-SG 3.4Å; Y17-C21 VanDerWaalsContact O-CB 3.31Å; Y17-C21 WeakPolarHBondContact O-CB 3.47Å; Y17-C21 PolarHBondContact O-N 2.87Å; Y17-C21 PolarHBondContact O-SG 3.02Å; Y17-I31 HydrophobicContact CD1-CG2 4.11Å; Y17-I31 HydrophobicContact CE1-CB 4.37Å; Y17-I31 HydrophobicContact CE1-CG2 3.57Å; Y17-I31 WeakPolarHBondContact CE1-O 3.46Å; Y17-I31 PolarHBondContact OH-O 2.95Å; Y17-G34 WeakPolarHBondContact OH-CA 3.49Å; Y17-R35 HydrophobicContact CD1-CB 4.47Å; Y17-R35 HydrophobicContact CE1-CB 4.19Å
18D87.9Confident88.4Confident50 Ų5056.5 Ų56.527%0.26732%0.317SS..Hα-helixtrans-57.8-46.3-179-69.9-118.1000112.4K22 R35D18-K22 WeakPolarHBondContact O-CB 2.92Å; D18-K22 VanDerWaalsContact O-CG 3.23Å; D18-K22 WeakPolarHBondContact O-CG 3.49Å; D18-K22 PolarHBondContact O-N 2.79Å; D18-R35 IonicContact OD1-NH1 2.89Å; D18-R35 IonicContact OD2-CZ 3.62Å; D18-R35 IonicContact OD2-NE 3.91Å
19A90.9Very high87.8Confident51 Ų5156.2 Ų56.242%0.42132%0.32SS..Hα-helixtrans-64.5-43.9-178.700000111.5G16 Y17 L23 V120G16-A19 PolarHBondContact O-N 2.86Å; Y17-A19 PolarHBondContact O-N 2.88Å; A19-L23 WeakPolarHBondContact O-CB 3.3Å; A19-L23 PolarHBondContact O-N 3.26Å; A19-V120 HydrophobicContact CB-CG1 3.8Å
20F89.6Confident87Confident13 Ų1358.7 Ų58.76%0.05733%0.333CS..Hα-helixtrans-66.7-49.5179-179.8-90.3000111G16 Y17 K22 L23 V24 Y100 A117 V120 L122G16-F20 VanDerWaalsContact O-CB 3.28Å; G16-F20 WeakPolarHBondContact O-CB 3.14Å; G16-F20 PolarHBondContact O-N 3.18Å; Y17-F20 PolarHBondContact O-N 2.89Å; F20-K22 VanDerWaalsContact C-N 3.3Å; F20-K22 PolarHBondContact O-N 2.82Å; F20-L23 WeakPolarHBondContact O-CB 3.49Å; F20-L23 PolarHBondContact O-N 2.85Å; F20-V24 HydrophobicContact CD1-CG1 4.28Å; F20-V24 HydrophobicContact CD1-CG2 4.2Å; F20-V24 HydrophobicContact CE1-CG1 3.79Å; F20-V24 HydrophobicContact CE1-CG2 4.02Å; F20-V24 HydrophobicContact CE2-CG1 4.13Å; F20-V24 HydrophobicContact CZ-CG1 3.71Å; F20-V24 WeakPolarHBondContact O-CG2 3.4Å; F20-V24 PolarHBondContact O-N 2.84Å; F20-Y100 HydrophobicContact CE2-CD2 4.37Å; F20-Y100 HydrophobicContact CE2-CG 4.3Å; F20-Y100 HydrophobicContact CZ-CD1 4.37Å; F20-Y100 AromaticContact CZ-CD2 3.81Å; F20-Y100 HydrophobicContact CZ-CD2 3.81Å; F20-Y100 HydrophobicContact CZ-CE2 4.25Å; F20-Y100 AromaticContact CZ-CG 3.87Å; F20-Y100 HydrophobicContact CZ-CG 3.87Å; F20-A117 HydrophobicContact CD2-CB 3.95Å; F20-A117 HydrophobicContact CE2-CB 3.66Å; F20-V120 HydrophobicContact CB-CG1 3.97Å; F20-L122 HydrophobicContact CB-CB 3.67Å; F20-L122 HydrophobicContact CB-CD2 4.38Å; F20-L122 HydrophobicContact CD1-CB 4.09Å; F20-L122 HydrophobicContact CD1-CD2 3.59Å; F20-L122 HydrophobicContact CD2-CB 3.87Å; F20-L122 HydrophobicContact CE1-CD2 4.04Å; F20-L122 HydrophobicContact CG-CB 3.6Å; F20-L122 HydrophobicContact CG-CD2 4.01Å; F20-L122 HydrophobicContact CG-CG 4.47Å
21C86.4Confident86.6Confident4 Ų456.3 Ų56.33%0.02732%0.322CS..Hα-helixtrans-60.1-40.5-179.2-71.30000112.1Y17 V24 G25 I26 I31Y17-C21 WeakPolarHBondContact CE2-SG 3.4Å; Y17-C21 VanDerWaalsContact O-CB 3.31Å; Y17-C21 WeakPolarHBondContact O-CB 3.47Å; Y17-C21 PolarHBondContact O-N 2.87Å; Y17-C21 PolarHBondContact O-SG 3.02Å; C21-V24 WeakPolarHBondContact O-CG2 3.43Å; C21-V24 PolarHBondContact O-N 2.91Å; C21-G25 PolarHBondContact O-N 2.79Å; C21-I26 HydrophobicContact CB-CB 4.08Å; C21-I26 HydrophobicContact CB-CD1 4.08Å; C21-I26 WeakPolarHBondContact O-CB 3.24Å; C21-I26 PolarHBondContact O-N 2.8Å; C21-I31 HydrophobicContact CB-CD1 3.42Å; C21-I31 VanDerWaalsContact CB-CD1 3.42Å; C21-I31 HydrophobicContact CB-CG1 3.54Å; C21-I31 HydrophobicContact CB-CG2 4.42Å
22K87Confident86.1Confident118 Ų11862 Ų6251%0.51335%0.348SS..Hα-helixtrans-62.8-43.6173-74177.1179.4-171.40112D18 F20 V24 G25 D28 I31D18-K22 WeakPolarHBondContact O-CB 2.92Å; D18-K22 VanDerWaalsContact O-CG 3.23Å; D18-K22 WeakPolarHBondContact O-CG 3.49Å; D18-K22 PolarHBondContact O-N 2.79Å; F20-K22 VanDerWaalsContact C-N 3.3Å; F20-K22 PolarHBondContact O-N 2.82Å; K22-V24 PolarHBondContact O-N 2.95Å; K22-G25 PolarHBondContact O-N 2.84Å; K22-G25 VanDerWaalsContact O-N 3.16Å; K22-D28 WeakPolarHBondContact CE-OD1 3.35Å; K22-D28 IonicContact NZ-OD1 3.72Å; K22-I31 HydrophobicContact CG-CD1 3.71Å
23L87.4Confident85.5Confident99 Ų9963.3 Ų63.352%0.51835%0.352SS..Hα-helixtrans-64.7-38.7-179.8-175.764000112.6A19 F20 G25 A117 V120A19-L23 WeakPolarHBondContact O-CB 3.3Å; A19-L23 PolarHBondContact O-N 3.26Å; F20-L23 WeakPolarHBondContact O-CB 3.49Å; F20-L23 PolarHBondContact O-N 2.85Å; L23-G25 PolarHBondContact O-N 2.83Å; L23-A117 HydrophobicContact CD2-CB 3.62Å; L23-A117 WeakPolarHBondContact CD2-O 3.25Å; L23-A117 HydrophobicContact CG-CB 4.45Å; L23-V120 HydrophobicContact CD2-CB 3.89Å; L23-V120 HydrophobicContact CD2-CG2 3.84Å
24V82.4Confident84.8Confident45 Ų4561.7 Ų61.727%0.27334%0.342SS..THydrogen-bonded Turntrans-81.71.1177.1-59.90000113.6F20 C21 K22 I26 Y100F20-V24 HydrophobicContact CD1-CG1 4.28Å; F20-V24 HydrophobicContact CD1-CG2 4.2Å; F20-V24 HydrophobicContact CE1-CG1 3.79Å; F20-V24 HydrophobicContact CE1-CG2 4.02Å; F20-V24 HydrophobicContact CE2-CG1 4.13Å; F20-V24 HydrophobicContact CZ-CG1 3.71Å; F20-V24 WeakPolarHBondContact O-CG2 3.4Å; F20-V24 PolarHBondContact O-N 2.84Å; C21-V24 WeakPolarHBondContact O-CG2 3.43Å; C21-V24 PolarHBondContact O-N 2.91Å; K22-V24 PolarHBondContact O-N 2.95Å; V24-I26 HydrophobicContact CG2-CD1 3.81Å; V24-I26 HydrophobicContact CG2-CG1 3.85Å; V24-Y100 HydrophobicContact CG1-CD1 4.24Å
25G80.9Confident84.2Confident62 Ų6266.1 Ų66.164%0.63936%0.357SS*.THydrogen-bonded Turntrans78.827.2175.300000114.7C21 K22 L23C21-G25 PolarHBondContact O-N 2.79Å; K22-G25 PolarHBondContact O-N 2.84Å; K22-G25 VanDerWaalsContact O-N 3.16Å; L23-G25 PolarHBondContact O-N 2.83Å
26I81.4Confident83.4Confident57 Ų5766.8 Ų66.829%0.29236%0.364SS..  trans-73.5129.8170.9-66.3172.5000108.5C21 V24 I30 I31C21-I26 HydrophobicContact CB-CB 4.08Å; C21-I26 HydrophobicContact CB-CD1 4.08Å; C21-I26 WeakPolarHBondContact O-CB 3.24Å; C21-I26 PolarHBondContact O-N 2.8Å; V24-I26 HydrophobicContact CG2-CD1 3.81Å; V24-I26 HydrophobicContact CG2-CG1 3.85Å; I26-I30 HydrophobicContact CG2-CB 3.79Å; I26-I30 HydrophobicContact CG2-CG2 3.78Å; I26-I31 HydrophobicContact CB-CD1 4.49Å; I26-I31 HydrophobicContact CB-CG1 4.21Å; I26-I31 HydrophobicContact CG2-CG1 3.76Å; I26-I31 WeakPolarHBondContact O-CD1 3.35Å
27P82.9Confident82.9Confident66 Ų6668.1 Ų68.143%0.42936%0.359SS..  trans-56.6139.4176.7-2633.9000113.3D29 I30 I31P27-D29 WeakPolarHBondContact CB-OD1 3.44Å; P27-D29 PolarHBondContact O-N 3.14Å; P27-D29 VanDerWaalsContact O-N 3.13Å; P27-I30 HydrophobicContact CB-CD1 4.49Å; P27-I30 HydrophobicContact CB-CG1 4.31Å; P27-I30 HydrophobicContact CG-CD1 4.15Å; P27-I30 HydrophobicContact CG-CG1 4.5Å; P27-I30 WeakPolarHBondContact O-CB 3.35Å; P27-I30 PolarHBondContact O-N 2.81Å; P27-I31 WeakPolarHBondContact O-CG1 3.18Å; P27-I31 PolarHBondContact O-N 2.79Å
28D83.8Confident82.5Confident89 Ų8974.4 Ų74.448%0.47639%0.386SS..Hα-helixtrans-55.8-32.1-178.1-80.1-66.9000113.2K22 I30 I31 Q32K22-D28 WeakPolarHBondContact CE-OD1 3.35Å; K22-D28 IonicContact NZ-OD1 3.72Å; D28-I30 VanDerWaalsContact C-N 3.32Å; D28-I30 PolarHBondContact O-N 2.81Å; D28-I31 PolarHBondContact O-N 2.86Å; D28-Q32 WeakPolarHBondContact O-CB 3.35Å; D28-Q32 WeakPolarHBondContact O-CG 3.37Å; D28-Q32 PolarHBondContact O-N 3.17Å
29D82.1Confident82.5Confident88 Ų8872.1 Ų72.147%0.47137%0.374SS..Hα-helixtrans-66.9-32.4176.562.1-73.4000112.8P27 K33P27-D29 WeakPolarHBondContact CB-OD1 3.44Å; P27-D29 PolarHBondContact O-N 3.14Å; P27-D29 VanDerWaalsContact O-N 3.13Å; D29-K33 WeakPolarHBondContact O-CB 3.43Å; D29-K33 WeakPolarHBondContact O-CD 3.38Å; D29-K33 VanDerWaalsContact O-CG 3.26Å; D29-K33 WeakPolarHBondContact O-CG 3.46Å; D29-K33 PolarHBondContact O-N 2.76Å
30I78.8Confident82.6Confident53 Ų5371 Ų7127%0.27236%0.362SS..Hα-helixtrans-76.7-38.1173.8-58.9-174.2000110.1I26 P27 D28 K33 G34I26-I30 HydrophobicContact CG2-CB 3.79Å; I26-I30 HydrophobicContact CG2-CG2 3.78Å; P27-I30 HydrophobicContact CB-CD1 4.49Å; P27-I30 HydrophobicContact CB-CG1 4.31Å; P27-I30 HydrophobicContact CG-CD1 4.15Å; P27-I30 HydrophobicContact CG-CG1 4.5Å; P27-I30 WeakPolarHBondContact O-CB 3.35Å; P27-I30 PolarHBondContact O-N 2.81Å; D28-I30 VanDerWaalsContact C-N 3.32Å; D28-I30 PolarHBondContact O-N 2.81Å; I30-K33 PolarHBondContact O-N 2.82Å; I30-G34 PolarHBondContact O-N 2.79Å
31I83.8Confident82.7Confident1 Ų170.6 Ų70.61%0.00536%0.361CS..Hα-helixtrans-60.4-51.4175.7-59.8-179000110Y17 C21 K22 I26 P27 D28 K33 G34 R35Y17-I31 HydrophobicContact CD1-CG2 4.11Å; Y17-I31 HydrophobicContact CE1-CB 4.37Å; Y17-I31 HydrophobicContact CE1-CG2 3.57Å; Y17-I31 WeakPolarHBondContact CE1-O 3.46Å; Y17-I31 PolarHBondContact OH-O 2.95Å; C21-I31 HydrophobicContact CB-CD1 3.42Å; C21-I31 VanDerWaalsContact CB-CD1 3.42Å; C21-I31 HydrophobicContact CB-CG1 3.54Å; C21-I31 HydrophobicContact CB-CG2 4.42Å; K22-I31 HydrophobicContact CG-CD1 3.71Å; I26-I31 HydrophobicContact CB-CD1 4.49Å; I26-I31 HydrophobicContact CB-CG1 4.21Å; I26-I31 HydrophobicContact CG2-CG1 3.76Å; I26-I31 WeakPolarHBondContact O-CD1 3.35Å; P27-I31 WeakPolarHBondContact O-CG1 3.18Å; P27-I31 PolarHBondContact O-N 2.79Å; D28-I31 PolarHBondContact O-N 2.86Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.33Å; I31-G34 PolarHBondContact O-N 3.28Å; I31-G34 VanDerWaalsContact O-N 3.15Å; I31-R35 WeakPolarHBondContact O-CB 3.47Å; I31-R35 PolarHBondContact O-N 3.03Å
32Q82.8Confident83.1Confident143 Ų14373 Ų7367%0.66837%0.371SS*.Hα-helixtrans-59.4-42179.9-75.2-178.4-0.200112D28D28-Q32 WeakPolarHBondContact O-CB 3.35Å; D28-Q32 WeakPolarHBondContact O-CG 3.37Å; D28-Q32 PolarHBondContact O-N 3.17Å
33K78.6Confident83.5Confident122 Ų12267.5 Ų67.553%0.5335%0.348SS..Hα-helixtrans-62.5-46.8175-77.9173.2-174.1168.80111.7D29 I30 I31 R35 Y37D29-K33 WeakPolarHBondContact O-CB 3.43Å; D29-K33 WeakPolarHBondContact O-CD 3.38Å; D29-K33 VanDerWaalsContact O-CG 3.26Å; D29-K33 WeakPolarHBondContact O-CG 3.46Å; D29-K33 PolarHBondContact O-N 2.76Å; I30-K33 PolarHBondContact O-N 2.82Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.33Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 2.84Å; K33-Y37 HydrophobicContact CB-CE2 4.14Å; K33-Y37 WeakPolarHBondContact O-CD1 3.3Å; K33-Y37 WeakPolarHBondContact O-CD2 3.35Å; K33-Y37 WeakPolarHBondContact O-CE1 3.31Å; K33-Y37 WeakPolarHBondContact O-CE2 3.33Å; K33-Y37 VanDerWaalsContact O-CG 3.25Å
34G75.6Confident83.8Confident7 Ų765.7 Ų65.77%0.07234%0.341CS..Hα-helixtrans-73.6-18.1-176.300000115.4Y17 I30 I31 D36 Y37Y17-G34 WeakPolarHBondContact OH-CA 3.49Å; I30-G34 PolarHBondContact O-N 2.79Å; I31-G34 PolarHBondContact O-N 3.28Å; I31-G34 VanDerWaalsContact O-N 3.15Å; G34-D36 PolarHBondContact O-N 2.97Å; G34-Y37 PolarHBondContact O-N 2.8Å
35R77.4Confident84.2Confident138 Ų13864.6 Ų64.652%0.52133%0.333SS..Hα-helixtrans-61.5-41-174.6-172.4173.3-177.1168.20113.5Q14 Y17 D18 I31 K33Q14-R35 PolarHBondContact NE2-O 3.4Å; Y17-R35 HydrophobicContact CD1-CB 4.47Å; Y17-R35 HydrophobicContact CE1-CB 4.19Å; D18-R35 IonicContact OD1-NH1 2.89Å; D18-R35 IonicContact OD2-CZ 3.62Å; D18-R35 IonicContact OD2-NE 3.91Å; I31-R35 WeakPolarHBondContact O-CB 3.47Å; I31-R35 PolarHBondContact O-N 3.03Å; K33-R35 VanDerWaalsContact C-N 3.33Å; K33-R35 PolarHBondContact O-N 2.84Å
36D74.4Confident84.6Confident138 Ų13866.6 Ų66.674%0.73833%0.329SS*.THydrogen-bonded Turntrans-104.210-177.5-62.1-61000112.6G34 K38G34-D36 PolarHBondContact O-N 2.97Å; D36-K38 PolarHBondContact O-N 3.22Å
37Y78.4Confident84.9Confident64 Ų6465.1 Ų65.125%0.25133%0.327SS..  trans-74115.6178.9-74.2-8.3000111.2K33 G34 T39 Y56 P57K33-Y37 HydrophobicContact CB-CE2 4.14Å; K33-Y37 WeakPolarHBondContact O-CD1 3.3Å; K33-Y37 WeakPolarHBondContact O-CD2 3.35Å; K33-Y37 WeakPolarHBondContact O-CE1 3.31Å; K33-Y37 WeakPolarHBondContact O-CE2 3.33Å; K33-Y37 VanDerWaalsContact O-CG 3.25Å; G34-Y37 PolarHBondContact O-N 2.8Å; Y37-T39 PolarHBondContact O-N 2.82Å; Y37-Y56 HydrophobicContact CD2-CD1 4.11Å; Y37-P57 HydrophobicContact CD1-CB 4.1Å; Y37-P57 HydrophobicContact CD1-CG 3.43Å; Y37-P57 VanDerWaalsContact CD1-CG 3.43Å; Y37-P57 HydrophobicContact CD2-CG 4.47Å; Y37-P57 HydrophobicContact CE1-CB 4.05Å; Y37-P57 HydrophobicContact CE1-CG 3.91Å; Y37-P57 HydrophobicContact CG-CG 3.75Å
38K80.9Confident85.3Confident154 Ų15466.8 Ų66.867%0.6733%0.333SS*.  trans-71.680.6162.7-65.2-172.6179.2-175.10109.1D36D36-K38 PolarHBondContact O-N 3.22Å
39T87Confident85.7Confident2 Ų266.5 Ų66.51%0.01233%0.331CS..PPolyproline II helixtrans-73.3131175.2-53.90000109.3L11 Y37 Q54 H55 Y56L11-T39 PolarHBondContact N-O 2.88Å; Y37-T39 PolarHBondContact O-N 2.82Å; T39-Q54 HydrophobicContact CG2-CB 4.05Å; T39-Q54 HydrophobicContact CG2-CG 4.48Å; T39-H55 WeakPolarHBondContact CA-O 3.35Å; T39-H55 WeakPolarHBondContact CG2-O 3.32Å; T39-Y56 HydrophobicContact CG2-CD1 4.14Å; T39-Y56 HydrophobicContact CG2-CE1 3.82Å; T39-Y56 WeakPolarHBondContact OG1-CE1 3.4Å
40V92.5Very high86.3Confident29 Ų2962.5 Ų62.518%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-103.7118.9168.2177.30000107.9K8 W9 E10 H55 I129K8-V40 HydrophobicContact CB-CG1 4.28Å; W9-V40 CarbonylContact O-C 3.5Å; W9-V40 WeakPolarHBondContact O-CA 3.31Å; E10-V40 HydrophobicContact CB-CG2 4.46Å; E10-V40 HydrophobicContact CG-CG2 4.47Å; V40-H55 HydrophobicContact CB-CB 4.24Å; V40-H55 PolarHBondContact N-O 2.76Å; V40-H55 PolarHBondContact O-CD2 2.81Å; V40-H55 PolarHBondContact O-N 2.74Å; V40-I129 HydrophobicContact CG1-CD1 3.95Å; V40-I129 HydrophobicContact CG2-CD1 4.36Å
41T92.9Very high87Confident3 Ų361.9 Ų61.92%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-94.8117174.4-66.80000109K8 W9 V43 W52 T53 L111K8-T41 CarbonylContact C-O 3.56Å; K8-T41 WeakPolarHBondContact CA-O 3.26Å; W9-T41 PolarHBondContact N-O 2.79Å; W9-T41 PolarHBondContact O-N 2.9Å; T41-V43 HydrophobicContact CG2-CG2 3.72Å; T41-W52 HydrophobicContact CG2-CD2 4.25Å; T41-W52 VanDerWaalsContact CG2-CE2 3.44Å; T41-W52 HydrophobicContact CG2-CG 4.5Å; T41-W52 HydrophobicContact CG2-CZ2 3.71Å; T41-T53 CarbonylContact C-O 3.5Å; T41-T53 WeakPolarHBondContact CA-O 3.28Å; T41-L111 HydrophobicContact CG2-CD2 4.27Å
42E94.5Very high87.4Confident55 Ų5562.6 Ų62.626%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-102.8121.4172.3178.1168.7-151.400109.2K8 T53 H55K8-E42 WeakPolarHBondContact CE-OE1 3.45Å; K8-E42 HydrophobicContact CG-CB 4.07Å; K8-E42 HydrophobicContact CG-CG 4.02Å; K8-E42 IonicContact NZ-OE1 3.65Å; E42-T53 PolarHBondContact N-O 3.07Å; E42-T53 PolarHBondContact O-N 3.08Å; E42-H55 IonicContact OE2-CE1 2.9Å; E42-H55 IonicContact OE2-NE2 3.85Å; E42-H55 PolarHBondContact OE2-NE2 2.87Å
43V94.4Very high87.9Confident3 Ų356.4 Ų56.42%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-117.3126.7179.5-172.50000109.2F5 S6 G7 T41 F50 T51 W52F5-V43 HydrophobicContact CB-CG1 4Å; F5-V43 WeakPolarHBondContact O-CB 3.08Å; S6-V43 WeakPolarHBondContact CA-O 3.46Å; G7-V43 PolarHBondContact N-O 2.69Å; G7-V43 PolarHBondContact O-N 2.91Å; T41-V43 HydrophobicContact CG2-CG2 3.72Å; V43-F50 HydrophobicContact CG1-CD1 4Å; V43-T51 WeakPolarHBondContact CA-O 3.35Å; V43-W52 HydrophobicContact CG1-CE3 4.08Å; V43-W52 HydrophobicContact CG1-CZ3 4.42Å; V43-W52 HydrophobicContact CG2-CD2 3.87Å; V43-W52 HydrophobicContact CG2-CE3 3.75Å; V43-W52 HydrophobicContact CG2-CG 4.47Å; V43-W52 HydrophobicContact CG2-CH2 4.23Å; V43-W52 HydrophobicContact CG2-CZ2 4.36Å; V43-W52 HydrophobicContact CG2-CZ3 3.94Å
44V93.8Very high88.5Confident61 Ų6152.1 Ų52.137%0.3727%0.265SS..EExtended strand (participates in β ladder)trans-112.3113.2169.5-176.40000107.6F50 T51V44-F50 WeakPolarHBondContact O-CA 3.39Å; V44-T51 PolarHBondContact N-O 2.92Å; V44-T51 PolarHBondContact O-N 3.01Å
45Q90.7Very high89.2Confident22 Ų2254.7 Ų54.710%0.10328%0.275CS..EExtended strand (participates in β ladder)trans-105.5117.1177.3-179.7-177.55.400110.5S6 G47 F50S6-Q45 WeakPolarHBondContact OG-CB 3.44Å; S6-Q45 PolarHBondContact OG-N 2.91Å; Q45-G47 PolarHBondContact NE2-O 3.34Å; Q45-F50 HydrophobicContact CB-CD1 4.03Å; Q45-F50 HydrophobicContact CB-CE1 3.79Å; Q45-F50 HydrophobicContact CB-CZ 4.25Å; Q45-F50 HydrophobicContact CG-CD1 4.08Å; Q45-F50 HydrophobicContact CG-CD2 4.48Å; Q45-F50 HydrophobicContact CG-CE1 3.51Å; Q45-F50 HydrophobicContact CG-CE2 3.94Å; Q45-F50 HydrophobicContact CG-CZ 3.44Å; Q45-F50 VanDerWaalsContact CG-CZ 3.44Å; Q45-F50 VanDerWaalsContact NE2-CZ 3.28Å
46N89.8Confident89.5Confident103 Ų10349.5 Ų49.555%0.55126%0.256SS*.EExtended strand (participates in β ladder)trans-114.781174-67.5-48.5000109.3N48 D49N46-N48 PolarHBondContact O-N 3.45Å; N46-N48 VanDerWaalsContact O-N 3.08Å; N46-D49 HydrophobicContact CB-CB 4.48Å; N46-D49 PolarHBondContact N-O 3.15Å; N46-D49 PolarHBondContact O-N 2.83Å; N46-D49 VanDerWaalsContact O-N 3.07Å
47G88.4Confident89.7Confident26 Ų2645.2 Ų45.227%0.26824%0.236SC..THydrogen-bonded Turntrans66.8-107.8-174.500000111.4Q45Q45-G47 PolarHBondContact NE2-O 3.34Å
48N90.4Very high89.6Confident102 Ų10248 Ų4855%0.54526%0.264SS..THydrogen-bonded Turntrans-95.6-8.5177.6-68.4-13.1000113.1N46 F50 T67 I68N46-N48 PolarHBondContact O-N 3.45Å; N46-N48 VanDerWaalsContact O-N 3.08Å; N48-F50 WeakPolarHBondContact O-CD2 3.02Å; N48-T67 HydrophobicContact CB-CG2 4.24Å; N48-T67 CarbonylContact O-C 3.52Å; N48-T67 WeakPolarHBondContact O-CA 3.41Å; N48-I68 HydrophobicContact CB-CB 4.28Å; N48-I68 WeakPolarHBondContact O-CG1 3.43Å; N48-I68 PolarHBondContact O-N 3.3Å
49D92.6Very high89.3Confident82 Ų8248.6 Ų48.644%0.43928%0.275SS..EExtended strand (participates in β ladder)trans-94129.7178.7-62.6-69.5000109.9N46 T67N46-D49 HydrophobicContact CB-CB 4.48Å; N46-D49 PolarHBondContact N-O 3.15Å; N46-D49 PolarHBondContact O-N 2.83Å; N46-D49 VanDerWaalsContact O-N 3.07Å; D49-T67 WeakPolarHBondContact OD1-CB 3.4Å; D49-T67 WeakPolarHBondContact OD1-CG2 3.36Å; D49-T67 PolarHBondContact OD1-OG1 3.18Å
50F93.7Very high89.1Confident4 Ų451 Ų512%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-122.8135.6-178.7-72.8-105.5000109.8F5 V43 V44 Q45 N48 N65 F66 I68 M88 L93F5-F50 HydrophobicContact CB-CE1 4.25Å; F5-F50 HydrophobicContact CD2-CE1 4.36Å; F5-F50 HydrophobicContact CG-CE1 4.43Å; V43-F50 HydrophobicContact CG1-CD1 4Å; V44-F50 WeakPolarHBondContact O-CA 3.39Å; Q45-F50 HydrophobicContact CB-CD1 4.03Å; Q45-F50 HydrophobicContact CB-CE1 3.79Å; Q45-F50 HydrophobicContact CB-CZ 4.25Å; Q45-F50 HydrophobicContact CG-CD1 4.08Å; Q45-F50 HydrophobicContact CG-CD2 4.48Å; Q45-F50 HydrophobicContact CG-CE1 3.51Å; Q45-F50 HydrophobicContact CG-CE2 3.94Å; Q45-F50 HydrophobicContact CG-CZ 3.44Å; Q45-F50 VanDerWaalsContact CG-CZ 3.44Å; Q45-F50 VanDerWaalsContact NE2-CZ 3.28Å; N48-F50 WeakPolarHBondContact O-CD2 3.02Å; F50-N65 WeakPolarHBondContact O-CA 3.35Å; F50-F66 HydrophobicContact CB-CD1 4.31Å; F50-F66 HydrophobicContact CB-CD2 3.86Å; F50-F66 HydrophobicContact CB-CE1 3.92Å; F50-F66 HydrophobicContact CB-CE2 3.41Å; F50-F66 VanDerWaalsContact CB-CE2 3.41Å; F50-F66 HydrophobicContact CB-CG 4.29Å; F50-F66 HydrophobicContact CB-CZ 3.45Å; F50-F66 VanDerWaalsContact CB-CZ 3.45Å; F50-F66 HydrophobicContact CD1-CE2 4.33Å; F50-F66 HydrophobicContact CD1-CZ 4.29Å; F50-F66 HydrophobicContact CD2-CD2 4.41Å; F50-F66 AromaticContact CD2-CE2 3.9Å; F50-F66 HydrophobicContact CD2-CE2 3.9Å; F50-F66 HydrophobicContact CG-CD2 4.36Å; F50-F66 AromaticContact CG-CE2 3.63Å; F50-F66 HydrophobicContact CG-CE2 3.63Å; F50-F66 AromaticContact CG-CZ 3.9Å; F50-F66 HydrophobicContact CG-CZ 3.9Å; F50-F66 PolarHBondContact N-O 2.88Å; F50-F66 PolarHBondContact O-N 2.91Å; F50-I68 HydrophobicContact CD2-CD1 4.01Å; F50-I68 HydrophobicContact CD2-CG1 3.96Å; F50-I68 HydrophobicContact CE2-CD1 3.73Å; F50-I68 HydrophobicContact CE2-CG1 3.53Å; F50-I68 HydrophobicContact CZ-CD1 4.47Å; F50-M88 HydrophobicContact CE2-CE 4.31Å; F50-M88 HydrophobicContact CZ-CE 3.64Å; F50-L93 HydrophobicContact CD1-CD1 4.42Å; F50-L93 HydrophobicContact CE1-CD1 4.06Å; F50-L93 HydrophobicContact CE1-CD2 4.34Å; F50-L93 HydrophobicContact CE2-CD2 4.39Å; F50-L93 HydrophobicContact CZ-CD2 4.04Å
51T94.3Very high88.8Confident41 Ų4156.6 Ų56.625%0.25232%0.316SS..EExtended strand (participates in β ladder)trans-113.1112.1164.8-56.70000107.5V43 V44 T63V43-T51 WeakPolarHBondContact CA-O 3.35Å; V44-T51 PolarHBondContact N-O 2.92Å; V44-T51 PolarHBondContact O-N 3.01Å; T51-T63 HydrophobicContact CG2-CG2 3.74Å
52W93.4Very high88.6Confident15 Ų1557 Ų576%0.05732%0.319CS..EExtended strand (participates in β ladder)trans-110104.8-177.7-164.7-67.2000109.3F5 T41 V43 N64 F66 L93 N104 L111F5-W52 HydrophobicContact CD1-CZ3 4.43Å; T41-W52 HydrophobicContact CG2-CD2 4.25Å; T41-W52 VanDerWaalsContact CG2-CE2 3.44Å; T41-W52 HydrophobicContact CG2-CG 4.5Å; T41-W52 HydrophobicContact CG2-CZ2 3.71Å; V43-W52 HydrophobicContact CG1-CE3 4.08Å; V43-W52 HydrophobicContact CG1-CZ3 4.42Å; V43-W52 HydrophobicContact CG2-CD2 3.87Å; V43-W52 HydrophobicContact CG2-CE3 3.75Å; V43-W52 HydrophobicContact CG2-CG 4.47Å; V43-W52 HydrophobicContact CG2-CH2 4.23Å; V43-W52 HydrophobicContact CG2-CZ2 4.36Å; V43-W52 HydrophobicContact CG2-CZ3 3.94Å; W52-N64 PolarHBondContact N-O 3.42Å; W52-N64 PolarHBondContact O-N 3.46Å; W52-F66 HydrophobicContact CB-CE1 3.83Å; W52-F66 HydrophobicContact CE3-CE1 4.25Å; W52-F66 HydrophobicContact CE3-CZ 4.06Å; W52-L93 HydrophobicContact CZ3-CD1 3.78Å; W52-N104 HydrophobicContact CH2-CB 4.23Å; W52-N104 WeakPolarHBondContact CH2-ND2 3.43Å; W52-L111 HydrophobicContact CH2-CD1 4.27Å; W52-L111 HydrophobicContact CH2-CD2 4.12Å; W52-L111 HydrophobicContact CZ2-CD2 4.09Å
53T93.1Very high88.5Confident14 Ų1457.3 Ų57.39%0.08633%0.325CS..EExtended strand (participates in β ladder)trans-108.7119.7-178.7-60.70000110.3T41 E42 V62 T63T41-T53 CarbonylContact C-O 3.5Å; T41-T53 WeakPolarHBondContact CA-O 3.28Å; E42-T53 PolarHBondContact N-O 3.07Å; E42-T53 PolarHBondContact O-N 3.08Å; T53-V62 CarbonylContact C-O 3.51Å; T53-V62 WeakPolarHBondContact CA-O 3.18Å; T53-T63 VanDerWaalsContact CG2-OG1 3.32Å; T53-T63 WeakPolarHBondContact CG2-OG1 3.48Å; T53-T63 WeakPolarHBondContact OG1-CG2 3.36Å; T53-T63 PolarHBondContact OG1-OG1 2.79Å
54Q90.3Very high88.4Confident32 Ų3258.1 Ų58.115%0.1533%0.329CS..EExtended strand (participates in β ladder)trans-100.1118.2172.4-64.9-179.9-55.100109.1T39 Y56 K61 V62T39-Q54 HydrophobicContact CG2-CB 4.05Å; T39-Q54 HydrophobicContact CG2-CG 4.48Å; Q54-Y56 HydrophobicContact CB-CD2 4.35Å; Q54-Y56 HydrophobicContact CB-CE2 3.54Å; Q54-Y56 VanDerWaalsContact CD-OH 3.3Å; Q54-Y56 PolarHBondContact OE1-OH 2.94Å; Q54-K61 CarbonylContact O-C 3.57Å; Q54-K61 VanDerWaalsContact O-CA 3.25Å; Q54-K61 WeakPolarHBondContact O-CA 3.33Å; Q54-V62 PolarHBondContact N-O 2.74Å; Q54-V62 PolarHBondContact O-N 2.83Å
55H89.9Confident88.4Confident61 Ų6159.7 Ų59.728%0.28234%0.335SS..EExtended strand (participates in β ladder)trans-94.1123.7174.5-58.3-91.1000108.9T39 V40 E42T39-H55 WeakPolarHBondContact CA-O 3.35Å; T39-H55 WeakPolarHBondContact CG2-O 3.32Å; V40-H55 HydrophobicContact CB-CB 4.24Å; V40-H55 PolarHBondContact N-O 2.76Å; V40-H55 PolarHBondContact O-CD2 2.81Å; V40-H55 PolarHBondContact O-N 2.74Å; E42-H55 IonicContact OE2-CE1 2.9Å; E42-H55 IonicContact OE2-NE2 3.85Å; E42-H55 PolarHBondContact OE2-NE2 2.87Å
56Y83.9Confident88.5Confident29 Ų2959.3 Ų59.311%0.11433%0.333CS..  trans-111.4162.3179.8-64.7-82.4000110.8Y37 T39 Q54 A60 V62 I77Y37-Y56 HydrophobicContact CD2-CD1 4.11Å; T39-Y56 HydrophobicContact CG2-CD1 4.14Å; T39-Y56 HydrophobicContact CG2-CE1 3.82Å; T39-Y56 WeakPolarHBondContact OG1-CE1 3.4Å; Q54-Y56 HydrophobicContact CB-CD2 4.35Å; Q54-Y56 HydrophobicContact CB-CE2 3.54Å; Q54-Y56 VanDerWaalsContact CD-OH 3.3Å; Q54-Y56 PolarHBondContact OE1-OH 2.94Å; Y56-A60 WeakPolarHBondContact CA-O 3.21Å; Y56-A60 WeakPolarHBondContact CB-O 3.38Å; Y56-A60 PolarHBondContact N-O 2.8Å; Y56-V62 HydrophobicContact CD2-CG2 4.47Å; Y56-V62 HydrophobicContact CE2-CB 4.33Å; Y56-V62 HydrophobicContact CE2-CG2 3.99Å; Y56-I77 HydrophobicContact CD1-CD1 3.48Å; Y56-I77 VanDerWaalsContact CD1-CD1 3.48Å; Y56-I77 HydrophobicContact CD1-CG1 4.37Å; Y56-I77 HydrophobicContact CD2-CD1 4.11Å; Y56-I77 HydrophobicContact CD2-CG1 4.11Å; Y56-I77 HydrophobicContact CE1-CD1 3.19Å; Y56-I77 HydrophobicContact CE1-CG1 4Å; Y56-I77 HydrophobicContact CE2-CB 4.26Å; Y56-I77 HydrophobicContact CE2-CD1 3.85Å; Y56-I77 HydrophobicContact CE2-CG1 3.71Å; Y56-I77 HydrophobicContact CG-CD1 3.93Å; Y56-I77 HydrophobicContact CG-CG1 4.42Å
57P78.6Confident88.7Confident48 Ų4855.8 Ų55.831%0.31232%0.316SS..G310 helixtrans-56.3159.4171.4-28.840.4000112.7Y37 N59Y37-P57 HydrophobicContact CD1-CB 4.1Å; Y37-P57 HydrophobicContact CD1-CG 3.43Å; Y37-P57 VanDerWaalsContact CD1-CG 3.43Å; Y37-P57 HydrophobicContact CD2-CG 4.47Å; Y37-P57 HydrophobicContact CE1-CB 4.05Å; Y37-P57 HydrophobicContact CE1-CG 3.91Å; Y37-P57 HydrophobicContact CG-CG 3.75Å; P57-N59 VanDerWaalsContact C-N 3.3Å; P57-N59 PolarHBondContact O-N 3.47Å
58S76.8Confident89Confident121 Ų12156 Ų5685%0.84631%0.31SS*.G310 helixtrans63.629.6-176.5-52.20000114.8A60S58-A60 PolarHBondContact O-N 2.87Å; S58-A60 VanDerWaalsContact O-N 3.17Å
59N74.3Confident89.1Confident167 Ų16753.4 Ų53.489%0.89331%0.308SS*.G310 helixtrans64.316175.7-135.838.2000114.5P57P57-N59 VanDerWaalsContact C-N 3.3Å; P57-N59 PolarHBondContact O-N 3.47Å
60A82.3Confident89.1Confident52 Ų5255.9 Ų55.943%0.4332%0.315SS..  trans-76.9136.2172.800000109.7Y56 S58Y56-A60 WeakPolarHBondContact CA-O 3.21Å; Y56-A60 WeakPolarHBondContact CB-O 3.38Å; Y56-A60 PolarHBondContact N-O 2.8Å; S58-A60 PolarHBondContact O-N 2.87Å; S58-A60 VanDerWaalsContact O-N 3.17Å
61K87.6Confident89Confident147 Ų14761.3 Ų61.364%0.63934%0.34SS*.EExtended strand (participates in β ladder)trans-141.6146174.666-179.7-178.81790110.5Q54Q54-K61 CarbonylContact O-C 3.57Å; Q54-K61 VanDerWaalsContact O-CA 3.25Å; Q54-K61 WeakPolarHBondContact O-CA 3.33Å
62V88.9Confident88.8Confident13 Ų1360.3 Ų60.38%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-124.4125174.9-179.30000107.8T53 Q54 Y56 Q75T53-V62 CarbonylContact C-O 3.51Å; T53-V62 WeakPolarHBondContact CA-O 3.18Å; Q54-V62 PolarHBondContact N-O 2.74Å; Q54-V62 PolarHBondContact O-N 2.83Å; Y56-V62 HydrophobicContact CD2-CG2 4.47Å; Y56-V62 HydrophobicContact CE2-CB 4.33Å; Y56-V62 HydrophobicContact CE2-CG2 3.99Å; V62-Q75 HydrophobicContact CG1-CB 4.31Å; V62-Q75 WeakPolarHBondContact CG1-O 3.21Å
63T91.6Very high88.7Confident61 Ų6165.1 Ų65.137%0.37436%0.362SS..EExtended strand (participates in β ladder)trans-117.2121.5179.4-62.70000109.1T51 T53 N65T51-T63 HydrophobicContact CG2-CG2 3.74Å; T53-T63 VanDerWaalsContact CG2-OG1 3.32Å; T53-T63 WeakPolarHBondContact CG2-OG1 3.48Å; T53-T63 WeakPolarHBondContact OG1-CG2 3.36Å; T53-T63 PolarHBondContact OG1-OG1 2.79Å; T63-N65 WeakPolarHBondContact CG2-OD1 3.26Å
64N92.4Very high88.4Confident20 Ų2065.3 Ų65.311%0.10736%0.362CS..EExtended strand (participates in β ladder)trans-114.2125.2176.6-75.6-51.8000109.8W52 M74 Q75W52-N64 PolarHBondContact N-O 3.42Å; W52-N64 PolarHBondContact O-N 3.46Å; N64-M74 HydrophobicContact CB-CG 4.36Å; N64-M74 WeakPolarHBondContact OD1-CA 3.32Å; N64-M74 WeakPolarHBondContact OD1-CB 3.49Å; N64-Q75 PolarHBondContact ND2-O 2.86Å; N64-Q75 PolarHBondContact OD1-N 2.82Å
65N93.6Very high88.1Confident93 Ų9367.1 Ų67.150%0.49737%0.37SS..EExtended strand (participates in β ladder)trans-109123.9178.1-6630.9000108F50 T63F50-N65 WeakPolarHBondContact O-CA 3.35Å; T63-N65 WeakPolarHBondContact CG2-OD1 3.26Å
66F93.2Very high87.4Confident15 Ų1566.7 Ų66.77%0.06637%0.372CS..EExtended strand (participates in β ladder)trans-143.8150.7-179.661-94.7000112.1F50 W52 I68 C72 M74 V86F50-F66 HydrophobicContact CB-CD1 4.31Å; F50-F66 HydrophobicContact CB-CD2 3.86Å; F50-F66 HydrophobicContact CB-CE1 3.92Å; F50-F66 HydrophobicContact CB-CE2 3.41Å; F50-F66 VanDerWaalsContact CB-CE2 3.41Å; F50-F66 HydrophobicContact CB-CG 4.29Å; F50-F66 HydrophobicContact CB-CZ 3.45Å; F50-F66 VanDerWaalsContact CB-CZ 3.45Å; F50-F66 HydrophobicContact CD1-CE2 4.33Å; F50-F66 HydrophobicContact CD1-CZ 4.29Å; F50-F66 HydrophobicContact CD2-CD2 4.41Å; F50-F66 AromaticContact CD2-CE2 3.9Å; F50-F66 HydrophobicContact CD2-CE2 3.9Å; F50-F66 HydrophobicContact CG-CD2 4.36Å; F50-F66 AromaticContact CG-CE2 3.63Å; F50-F66 HydrophobicContact CG-CE2 3.63Å; F50-F66 AromaticContact CG-CZ 3.9Å; F50-F66 HydrophobicContact CG-CZ 3.9Å; F50-F66 PolarHBondContact N-O 2.88Å; F50-F66 PolarHBondContact O-N 2.91Å; W52-F66 HydrophobicContact CB-CE1 3.83Å; W52-F66 HydrophobicContact CE3-CE1 4.25Å; W52-F66 HydrophobicContact CE3-CZ 4.06Å; F66-I68 HydrophobicContact CD2-CD1 4.47Å; F66-I68 HydrophobicContact CE2-CD1 4.17Å; F66-C72 HydrophobicContact CB-CB 3.89Å; F66-M74 HydrophobicContact CB-CE 3.64Å; F66-M74 HydrophobicContact CD1-CE 3.95Å; F66-M74 HydrophobicContact CG-CE 3.88Å; F66-V86 HydrophobicContact CB-CG2 4.27Å; F66-V86 HydrophobicContact CD1-CG2 4.31Å; F66-V86 HydrophobicContact CD2-CB 3.64Å; F66-V86 HydrophobicContact CD2-CG1 4.07Å; F66-V86 HydrophobicContact CD2-CG2 3.43Å; F66-V86 VanDerWaalsContact CD2-CG2 3.43Å; F66-V86 HydrophobicContact CE2-CB 3.79Å; F66-V86 HydrophobicContact CE2-CG1 3.66Å; F66-V86 HydrophobicContact CE2-CG2 3.71Å; F66-V86 HydrophobicContact CG-CB 4.44Å; F66-V86 HydrophobicContact CG-CG2 3.75Å; F66-V86 HydrophobicContact CZ-CG1 4.37Å; F66-V86 HydrophobicContact CZ-CG2 4.25Å
67T93.9Very high86.8Confident29 Ų2968.9 Ų68.918%0.17839%0.385CS..EExtended strand (participates in β ladder)trans-111.1134173.9-49.80000109N48 D49 G69 K70 C72N48-T67 HydrophobicContact CB-CG2 4.24Å; N48-T67 CarbonylContact O-C 3.52Å; N48-T67 WeakPolarHBondContact O-CA 3.41Å; D49-T67 WeakPolarHBondContact OD1-CB 3.4Å; D49-T67 WeakPolarHBondContact OD1-CG2 3.36Å; D49-T67 PolarHBondContact OD1-OG1 3.18Å; T67-G69 PolarHBondContact O-N 2.96Å; T67-K70 HydrophobicContact CG2-CD 4.15Å; T67-K70 HydrophobicContact CG2-CG 4.49Å; T67-K70 PolarHBondContact O-N 2.93Å; T67-K70 VanDerWaalsContact O-N 3.12Å; T67-C72 PolarHBondContact N-SG 3.44Å; T67-C72 VanDerWaalsContact N-SG 3.44Å
68I93.4Very high86.3Confident29 Ų2969.1 Ų69.115%0.14940%0.396CS..THydrogen-bonded Turntrans-56.8131.3177.8-59.2-59.3000111N48 F50 F66 K70 V86 M88 L93N48-I68 HydrophobicContact CB-CB 4.28Å; N48-I68 WeakPolarHBondContact O-CG1 3.43Å; N48-I68 PolarHBondContact O-N 3.3Å; F50-I68 HydrophobicContact CD2-CD1 4.01Å; F50-I68 HydrophobicContact CD2-CG1 3.96Å; F50-I68 HydrophobicContact CE2-CD1 3.73Å; F50-I68 HydrophobicContact CE2-CG1 3.53Å; F50-I68 HydrophobicContact CZ-CD1 4.47Å; F66-I68 HydrophobicContact CD2-CD1 4.47Å; F66-I68 HydrophobicContact CE2-CD1 4.17Å; I68-K70 VanDerWaalsContact C-N 3.28Å; I68-K70 PolarHBondContact O-N 2.82Å; I68-V86 CarbonylContact C-O 3.57Å; I68-V86 WeakPolarHBondContact CA-O 3.45Å; I68-V86 HydrophobicContact CD1-CB 4.18Å; I68-V86 HydrophobicContact CD1-CG1 3.78Å; I68-M88 HydrophobicContact CD1-CB 4.38Å; I68-M88 HydrophobicContact CG1-CB 4.45Å; I68-M88 HydrophobicContact CG2-CB 3.82Å; I68-L93 HydrophobicContact CD1-CD2 3.35Å
69G92.4Very high86Confident49 Ų4965.5 Ų65.551%0.50538%0.378SS..THydrogen-bonded Turntrans77.55.8179.500000114.9T67 V86T67-G69 PolarHBondContact O-N 2.96Å; G69-V86 PolarHBondContact N-O 2.89Å
70K93Very high86.2Confident133 Ų13365 Ų6558%0.57837%0.368SS*.SBendtrans-116.9143.5175.8-66.2-173178.1177.70111.1T67 I68 C72T67-K70 HydrophobicContact CG2-CD 4.15Å; T67-K70 HydrophobicContact CG2-CG 4.49Å; T67-K70 PolarHBondContact O-N 2.93Å; T67-K70 VanDerWaalsContact O-N 3.12Å; I68-K70 VanDerWaalsContact C-N 3.28Å; I68-K70 PolarHBondContact O-N 2.82Å; K70-C72 PolarHBondContact O-N 3.46Å
71E92.6Very high86.3Confident118 Ų11867.7 Ų67.755%0.55138%0.375SS*.EExtended strand (participates in β ladder)trans-66.7128.1167.2-175.5-177.590.800108.8K83 T85E71-K83 HydrophobicContact CG-CB 3.95Å; E71-K83 HydrophobicContact CG-CD 4.44Å; E71-K83 HydrophobicContact CG-CG 4.47Å; E71-K83 WeakPolarHBondContact OE1-CD 3.36Å; E71-K83 IonicContact OE1-NZ 3.69Å; E71-K83 PolarHBondContact OE1-NZ 3.12Å; E71-T85 WeakPolarHBondContact CA-OG1 3.31Å
72C90.4Very high86.2Confident21 Ų2163 Ų6314%0.14236%0.355CS..EExtended strand (participates in β ladder)trans-131.9146179.2-64.70000110.3F66 T67 K70 K83 A84F66-C72 HydrophobicContact CB-CB 3.89Å; T67-C72 PolarHBondContact N-SG 3.44Å; T67-C72 VanDerWaalsContact N-SG 3.44Å; K70-C72 PolarHBondContact O-N 3.46Å; C72-K83 WeakPolarHBondContact O-CA 3.36Å; C72-A84 PolarHBondContact N-O 3.3Å; C72-A84 PolarHBondContact O-N 3.36Å
73D90.3Very high86.2Confident116 Ų11668 Ų6862%0.6238%0.376SS*.EExtended strand (participates in β ladder)trans-74.2124.6170.8-63.9-79000109.6K83D73-K83 WeakPolarHBondContact OD1-CE 3.35Å; D73-K83 WeakPolarHBondContact OD1-CG 3.23Å
74M87.6Confident86.2Confident17 Ų1765.5 Ų65.58%0.08436%0.36CS..EExtended strand (participates in β ladder)trans-125.8157.3179-65.6-176.5-165.300110.5N64 F66 N81 F82 A84 V86N64-M74 HydrophobicContact CB-CG 4.36Å; N64-M74 WeakPolarHBondContact OD1-CA 3.32Å; N64-M74 WeakPolarHBondContact OD1-CB 3.49Å; F66-M74 HydrophobicContact CB-CE 3.64Å; F66-M74 HydrophobicContact CD1-CE 3.95Å; F66-M74 HydrophobicContact CG-CE 3.88Å; M74-N81 CarbonylContact O-C 3.48Å; M74-N81 VanDerWaalsContact O-CA 3.24Å; M74-N81 WeakPolarHBondContact O-CA 3.36Å; M74-F82 HydrophobicContact CB-CD1 4.38Å; M74-F82 HydrophobicContact CB-CD2 4.19Å; M74-F82 HydrophobicContact CB-CE1 3.83Å; M74-F82 HydrophobicContact CB-CE2 3.59Å; M74-F82 HydrophobicContact CB-CZ 3.42Å; M74-F82 VanDerWaalsContact CB-CZ 3.42Å; M74-F82 HydrophobicContact CG-CE2 4.28Å; M74-F82 HydrophobicContact CG-CZ 4.36Å; M74-F82 PolarHBondContact N-O 3.06Å; M74-F82 WeakPolarHBondContact O-CD1 3.34Å; M74-F82 PolarHBondContact O-N 3.3Å; M74-F82 VanDerWaalsContact O-O 3.04Å; M74-F82 HydrophobicContact SD-CE2 3.9Å; M74-F82 HydrophobicContact SD-CZ 4.07Å; M74-A84 HydrophobicContact CE-CB 3.99Å; M74-A84 HydrophobicContact SD-CB 3.94Å; M74-V86 HydrophobicContact CE-CG2 3.39Å
75Q82.6Confident86.2Confident71 Ų7166.9 Ų66.933%0.33237%0.37SS..EExtended strand (participates in β ladder)trans-121.4135.3179-175.2172.865.100110.3V62 N64 N81V62-Q75 HydrophobicContact CG1-CB 4.31Å; V62-Q75 WeakPolarHBondContact CG1-O 3.21Å; N64-Q75 PolarHBondContact ND2-O 2.86Å; N64-Q75 PolarHBondContact OD1-N 2.82Å; Q75-N81 WeakPolarHBondContact CG-OD1 3.34Å; Q75-N81 PolarHBondContact NE2-OD1 2.63Å
76T76.5Confident86.1Confident51 Ų5162.6 Ų62.631%0.31335%0.347SS..  trans-81160.6169.560.60000110.9G78 G79 K80 F82T76-G78 PolarHBondContact O-N 2.81Å; T76-G79 PolarHBondContact O-N 2.9Å; T76-K80 PolarHBondContact N-O 3.36Å; T76-K80 WeakPolarHBondContact OG1-CB 3.45Å; T76-K80 PolarHBondContact OG1-N 3.24Å; T76-K80 PolarHBondContact OG1-O 2.86Å; T76-K80 VanDerWaalsContact OG1-O 3.11Å; T76-F82 HydrophobicContact CG2-CD1 3.64Å; T76-F82 HydrophobicContact CG2-CE1 3.38Å; T76-F82 HydrophobicContact CG2-CZ 4.45Å
77I70.2Confident86.1Confident76 Ų7664.9 Ų64.939%0.3936%0.36SS..THydrogen-bonded Turntrans-52.7-28.9170.3-164.3-172.6000113.5Y56 G79Y56-I77 HydrophobicContact CD1-CD1 3.48Å; Y56-I77 VanDerWaalsContact CD1-CD1 3.48Å; Y56-I77 HydrophobicContact CD1-CG1 4.37Å; Y56-I77 HydrophobicContact CD2-CD1 4.11Å; Y56-I77 HydrophobicContact CD2-CG1 4.11Å; Y56-I77 HydrophobicContact CE1-CD1 3.19Å; Y56-I77 HydrophobicContact CE1-CG1 4Å; Y56-I77 HydrophobicContact CE2-CB 4.26Å; Y56-I77 HydrophobicContact CE2-CD1 3.85Å; Y56-I77 HydrophobicContact CE2-CG1 3.71Å; Y56-I77 HydrophobicContact CG-CD1 3.93Å; Y56-I77 HydrophobicContact CG-CG1 4.42Å; I77-G79 PolarHBondContact O-N 3.01Å
78G67.7Low85.9Confident53 Ų5366.5 Ų66.555%0.54637%0.366SS..THydrogen-bonded Turntrans-76.17.417600000114.8T76 K80T76-G78 PolarHBondContact O-N 2.81Å; G78-K80 PolarHBondContact O-N 3.34Å
79G71.5Confident85.6Confident45 Ų4571.4 Ų71.446%0.46439%0.388SS..SBendtrans75.82.7-178.800000114.4T76 I77T76-G79 PolarHBondContact O-N 2.9Å; I77-G79 PolarHBondContact O-N 3.01Å
80K77.6Confident85.3Confident155 Ų15573.4 Ų73.467%0.67441%0.409SS*.  trans-80.4124177.7-173178.1-179.4179.40110.2T76 G78T76-K80 PolarHBondContact N-O 3.36Å; T76-K80 WeakPolarHBondContact OG1-CB 3.45Å; T76-K80 PolarHBondContact OG1-N 3.24Å; T76-K80 PolarHBondContact OG1-O 2.86Å; T76-K80 VanDerWaalsContact OG1-O 3.11Å; G78-K80 PolarHBondContact O-N 3.34Å
81N85.6Confident84.9Confident110 Ų11069.3 Ų69.359%0.58841%0.405SS*.EExtended strand (participates in β ladder)trans-84.1142172.7-61-17.8000110.4M74 Q75M74-N81 CarbonylContact O-C 3.48Å; M74-N81 VanDerWaalsContact O-CA 3.24Å; M74-N81 WeakPolarHBondContact O-CA 3.36Å; Q75-N81 WeakPolarHBondContact CG-OD1 3.34Å; Q75-N81 PolarHBondContact NE2-OD1 2.63Å
82F85.4Confident84.9Confident49 Ų4967.3 Ų67.322%0.21540%0.395CS..EExtended strand (participates in β ladder)trans-149.7161.7177.965-86.1000109.5M74 T76 A84 F97M74-F82 HydrophobicContact CB-CD1 4.38Å; M74-F82 HydrophobicContact CB-CD2 4.19Å; M74-F82 HydrophobicContact CB-CE1 3.83Å; M74-F82 HydrophobicContact CB-CE2 3.59Å; M74-F82 HydrophobicContact CB-CZ 3.42Å; M74-F82 VanDerWaalsContact CB-CZ 3.42Å; M74-F82 HydrophobicContact CG-CE2 4.28Å; M74-F82 HydrophobicContact CG-CZ 4.36Å; M74-F82 PolarHBondContact N-O 3.06Å; M74-F82 WeakPolarHBondContact O-CD1 3.34Å; M74-F82 PolarHBondContact O-N 3.3Å; M74-F82 VanDerWaalsContact O-O 3.04Å; M74-F82 HydrophobicContact SD-CE2 3.9Å; M74-F82 HydrophobicContact SD-CZ 4.07Å; T76-F82 HydrophobicContact CG2-CD1 3.64Å; T76-F82 HydrophobicContact CG2-CE1 3.38Å; T76-F82 HydrophobicContact CG2-CZ 4.45Å; F82-A84 HydrophobicContact CD2-CB 4.05Å; F82-A84 HydrophobicContact CE2-CB 3.76Å; F82-F97 HydrophobicContact CD2-CD1 4.5Å; F82-F97 AromaticContact CD2-CE1 3.55Å; F82-F97 HydrophobicContact CD2-CE1 3.55Å; F82-F97 HydrophobicContact CD2-CZ 4.28Å; F82-F97 AromaticContact CE2-CE1 3.29Å; F82-F97 HydrophobicContact CE2-CE1 3.29Å; F82-F97 AromaticContact CE2-CZ 3.54Å; F82-F97 HydrophobicContact CE2-CZ 3.54Å; F82-F97 HydrophobicContact CZ-CE1 4.24Å; F82-F97 HydrophobicContact CZ-CZ 4.2Å
83K89.4Confident85Confident118 Ų11866.4 Ų66.451%0.51339%0.388SS..EExtended strand (participates in β ladder)trans-103.3136.9175.1-69.8175.2151.3-141.30109.8E71 C72 D73E71-K83 HydrophobicContact CG-CB 3.95Å; E71-K83 HydrophobicContact CG-CD 4.44Å; E71-K83 HydrophobicContact CG-CG 4.47Å; E71-K83 WeakPolarHBondContact OE1-CD 3.36Å; E71-K83 IonicContact OE1-NZ 3.69Å; E71-K83 PolarHBondContact OE1-NZ 3.12Å; C72-K83 WeakPolarHBondContact O-CA 3.36Å; D73-K83 WeakPolarHBondContact OD1-CE 3.35Å; D73-K83 WeakPolarHBondContact OD1-CG 3.23Å
84A90.1Very high85.1Confident7 Ų761.5 Ų61.56%0.05836%0.363CS..EExtended strand (participates in β ladder)trans-146.9152.7175.900000111.5C72 M74 F82 V95 F97C72-A84 PolarHBondContact N-O 3.3Å; C72-A84 PolarHBondContact O-N 3.36Å; M74-A84 HydrophobicContact CE-CB 3.99Å; M74-A84 HydrophobicContact SD-CB 3.94Å; F82-A84 HydrophobicContact CD2-CB 4.05Å; F82-A84 HydrophobicContact CE2-CB 3.76Å; A84-V95 HydrophobicContact CB-CG1 3.99Å; A84-F97 HydrophobicContact CB-CE1 3.6Å; A84-F97 HydrophobicContact CB-CZ 3.81Å
85T92.5Very high85.3Confident49 Ų4961.2 Ų61.230%0.30136%0.362SS..EExtended strand (participates in β ladder)trans-112.4118.6174.7-57.60000108.4E71E71-T85 WeakPolarHBondContact CA-OG1 3.31Å
86V92.9Very high85.5Confident3 Ų361.8 Ų61.82%0.01837%0.374CS..EExtended strand (participates in β ladder)trans-93.3130175-1710000109F66 I68 G69 M74 L93 V95F66-V86 HydrophobicContact CB-CG2 4.27Å; F66-V86 HydrophobicContact CD1-CG2 4.31Å; F66-V86 HydrophobicContact CD2-CB 3.64Å; F66-V86 HydrophobicContact CD2-CG1 4.07Å; F66-V86 HydrophobicContact CD2-CG2 3.43Å; F66-V86 VanDerWaalsContact CD2-CG2 3.43Å; F66-V86 HydrophobicContact CE2-CB 3.79Å; F66-V86 HydrophobicContact CE2-CG1 3.66Å; F66-V86 HydrophobicContact CE2-CG2 3.71Å; F66-V86 HydrophobicContact CG-CB 4.44Å; F66-V86 HydrophobicContact CG-CG2 3.75Å; F66-V86 HydrophobicContact CZ-CG1 4.37Å; F66-V86 HydrophobicContact CZ-CG2 4.25Å; I68-V86 CarbonylContact C-O 3.57Å; I68-V86 WeakPolarHBondContact CA-O 3.45Å; I68-V86 HydrophobicContact CD1-CB 4.18Å; I68-V86 HydrophobicContact CD1-CG1 3.78Å; G69-V86 PolarHBondContact N-O 2.89Å; M74-V86 HydrophobicContact CE-CG2 3.39Å; V86-L93 HydrophobicContact CG1-CB 4.19Å; V86-L93 HydrophobicContact CG1-CD2 3.85Å; V86-V95 HydrophobicContact CB-CG2 4.21Å; V86-V95 HydrophobicContact CG1-CG2 3.94Å; V86-V95 HydrophobicContact CG2-CG2 3.83Å
87N92.6Very high85.8Confident63 Ų6361.1 Ų61.134%0.33737%0.366SS..EExtended strand (participates in β ladder)trans-112.3160.6175.7-61.6-67.9000110L93 T94N87-L93 CarbonylContact O-C 3.51Å; N87-L93 VanDerWaalsContact O-CA 3.31Å; N87-L93 WeakPolarHBondContact O-CA 3.43Å; N87-T94 PolarHBondContact N-O 3.48Å; N87-T94 PolarHBondContact O-N 2.92Å
88M90.5Very high86.3Confident63 Ų6363.8 Ų63.831%0.3139%0.389SS..EExtended strand (participates in β ladder)trans-123115175.9-177.474.178.800108.8F5 F50 I68 G91 K92 L93F5-M88 HydrophobicContact CD2-CE 4.5Å; F5-M88 HydrophobicContact CE2-CE 4.13Å; F5-M88 HydrophobicContact CE2-SD 4.4Å; F50-M88 HydrophobicContact CE2-CE 4.31Å; F50-M88 HydrophobicContact CZ-CE 3.64Å; I68-M88 HydrophobicContact CD1-CB 4.38Å; I68-M88 HydrophobicContact CG1-CB 4.45Å; I68-M88 HydrophobicContact CG2-CB 3.82Å; M88-G91 VanDerWaalsContact SD-C 3.58Å; M88-K92 CarbonylContact C-O 3.58Å; M88-K92 WeakPolarHBondContact CA-O 3.35Å; M88-K92 VanDerWaalsContact SD-C 3.57Å; M88-K92 VanDerWaalsContact SD-O 3.4Å; M88-L93 HydrophobicContact CE-CD2 3.27Å; M88-L93 HydrophobicContact CE-CG 3.86Å; M88-L93 HydrophobicContact SD-CD2 3.88Å; M88-L93 HydrophobicContact SD-CG 4.19Å
89E87.3Confident86.9Confident132 Ų13267.4 Ų67.462%0.61740%0.395SS*.EExtended strand (participates in β ladder)trans-127.7120.9179.9-67.7-173.6141.500109.7G91 K92E89-G91 PolarHBondContact O-N 2.79Å; E89-G91 VanDerWaalsContact O-N 3.08Å; E89-K92 PolarHBondContact N-O 3.35Å; E89-K92 WeakPolarHBondContact O-CB 3.47Å; E89-K92 PolarHBondContact O-N 3.05Å
90G84.6Confident87.7Confident91 Ų9167.7 Ų67.794%0.93838%0.383SS*.THydrogen-bonded Turntrans59.124.5178.100000115
91G85.6Confident88.3Confident48 Ų4863.6 Ų63.650%0.49537%0.366SS..THydrogen-bonded Turntrans84.18.2-175.500000114.7F5 M88 E89F5-G91 WeakPolarHBondContact CE2-O 3.47Å; M88-G91 VanDerWaalsContact SD-C 3.58Å; E89-G91 PolarHBondContact O-N 2.79Å; E89-G91 VanDerWaalsContact O-N 3.08Å
92K91.9Very high88.6Confident76 Ų7660.1 Ų60.133%0.3335%0.346SS..EExtended strand (participates in β ladder)trans-106.5138.6173.3-50.3-168.6-179.3-159.10110M88 E89 V103 N104 E105M88-K92 CarbonylContact C-O 3.58Å; M88-K92 WeakPolarHBondContact CA-O 3.35Å; M88-K92 VanDerWaalsContact SD-C 3.57Å; M88-K92 VanDerWaalsContact SD-O 3.4Å; E89-K92 PolarHBondContact N-O 3.35Å; E89-K92 WeakPolarHBondContact O-CB 3.47Å; E89-K92 PolarHBondContact O-N 3.05Å; K92-V103 HydrophobicContact CB-CG1 4.13Å; K92-V103 HydrophobicContact CD-CG1 4.07Å; K92-N104 CarbonylContact C-O 3.59Å; K92-N104 WeakPolarHBondContact CA-O 3.49Å; K92-E105 HydrophobicContact CB-CB 4.32Å; K92-E105 HydrophobicContact CD-CB 3.98Å; K92-E105 WeakPolarHBondContact CE-OE2 2.99Å; K92-E105 HydrophobicContact CG-CB 3.81Å; K92-E105 IonicContact NZ-OE1 2.83Å; K92-E105 PolarHBondContact NZ-OE1 2.9Å; K92-E105 IonicContact NZ-OE2 2.79Å; K92-E105 PolarHBondContact NZ-OE2 3.34Å
93L92.4Very high89Confident2 Ų259.4 Ų59.41%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-83.2128171.1-66.7169.3000108.7F5 F50 W52 I68 V86 N87 M88 V103 N104F5-L93 HydrophobicContact CD1-CD1 3.9Å; F5-L93 HydrophobicContact CD2-CD1 4.33Å; F5-L93 HydrophobicContact CE1-CD1 3.78Å; F5-L93 HydrophobicContact CE1-CG 4.17Å; F5-L93 HydrophobicContact CE2-CD1 4.22Å; F5-L93 HydrophobicContact CE2-CG 4.09Å; F5-L93 HydrophobicContact CG-CD1 4.19Å; F5-L93 HydrophobicContact CZ-CD1 3.95Å; F5-L93 HydrophobicContact CZ-CG 3.86Å; F50-L93 HydrophobicContact CD1-CD1 4.42Å; F50-L93 HydrophobicContact CE1-CD1 4.06Å; F50-L93 HydrophobicContact CE1-CD2 4.34Å; F50-L93 HydrophobicContact CE2-CD2 4.39Å; F50-L93 HydrophobicContact CZ-CD2 4.04Å; W52-L93 HydrophobicContact CZ3-CD1 3.78Å; I68-L93 HydrophobicContact CD1-CD2 3.35Å; V86-L93 HydrophobicContact CG1-CB 4.19Å; V86-L93 HydrophobicContact CG1-CD2 3.85Å; N87-L93 CarbonylContact O-C 3.51Å; N87-L93 VanDerWaalsContact O-CA 3.31Å; N87-L93 WeakPolarHBondContact O-CA 3.43Å; M88-L93 HydrophobicContact CE-CD2 3.27Å; M88-L93 HydrophobicContact CE-CG 3.86Å; M88-L93 HydrophobicContact SD-CD2 3.88Å; M88-L93 HydrophobicContact SD-CG 4.19Å; L93-V103 CarbonylContact O-C 3.52Å; L93-V103 VanDerWaalsContact O-CA 3.3Å; L93-V103 WeakPolarHBondContact O-CA 3.33Å; L93-N104 HydrophobicContact CB-CB 4.19Å; L93-N104 PolarHBondContact N-O 2.79Å; L93-N104 PolarHBondContact O-N 3.05Å
94T93.5Very high89.2Confident13 Ų1354.2 Ų54.28%0.0832%0.323CS..EExtended strand (participates in β ladder)trans-123138178.661.80000110.5N87 Q102 V103N87-T94 PolarHBondContact N-O 3.48Å; N87-T94 PolarHBondContact O-N 2.92Å; T94-Q102 CarbonylContact C-O 3.52Å; T94-Q102 WeakPolarHBondContact CA-O 3.47Å; T94-V103 HydrophobicContact CG2-CG1 4.28Å; T94-V103 HydrophobicContact CG2-CG2 4.17Å
95V91Very high89.4Confident11 Ų1156.3 Ų56.37%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-134.8124.4178.3-1650000108.5A84 V86 F97 H101 Q102A84-V95 HydrophobicContact CB-CG1 3.99Å; V86-V95 HydrophobicContact CB-CG2 4.21Å; V86-V95 HydrophobicContact CG1-CG2 3.94Å; V86-V95 HydrophobicContact CG2-CG2 3.83Å; V95-F97 HydrophobicContact CB-CE2 3.88Å; V95-F97 HydrophobicContact CB-CZ 4.47Å; V95-F97 HydrophobicContact CG1-CD2 4.01Å; V95-F97 HydrophobicContact CG1-CE1 4.31Å; V95-F97 HydrophobicContact CG1-CE2 3.31Å; V95-F97 HydrophobicContact CG1-CZ 3.5Å; V95-F97 VanDerWaalsContact CG1-CZ 3.5Å; V95-H101 PolarHBondContact O-ND1 2.79Å; V95-Q102 HydrophobicContact CB-CB 4.38Å; V95-Q102 PolarHBondContact N-O 2.84Å; V95-Q102 PolarHBondContact O-N 2.94Å
96S86.3Confident89.4Confident83 Ų8355.7 Ų55.758%0.5833%0.328SS*.EExtended strand (participates in β ladder)trans-106.7112.5179.4-65.60000109.9H101S96-H101 PolarHBondContact OG-CE1 2.73Å; S96-H101 PolarHBondContact OG-ND1 2.97Å
97F82.4Confident89.2Confident37 Ų3758.9 Ų58.916%0.16235%0.351CS..  trans-100.4158.5169.5-60.7-85.5000110.1F82 A84 V95 N99 Y100F82-F97 HydrophobicContact CD2-CD1 4.5Å; F82-F97 AromaticContact CD2-CE1 3.55Å; F82-F97 HydrophobicContact CD2-CE1 3.55Å; F82-F97 HydrophobicContact CD2-CZ 4.28Å; F82-F97 AromaticContact CE2-CE1 3.29Å; F82-F97 HydrophobicContact CE2-CE1 3.29Å; F82-F97 AromaticContact CE2-CZ 3.54Å; F82-F97 HydrophobicContact CE2-CZ 3.54Å; F82-F97 HydrophobicContact CZ-CE1 4.24Å; F82-F97 HydrophobicContact CZ-CZ 4.2Å; A84-F97 HydrophobicContact CB-CE1 3.6Å; A84-F97 HydrophobicContact CB-CZ 3.81Å; V95-F97 HydrophobicContact CB-CE2 3.88Å; V95-F97 HydrophobicContact CB-CZ 4.47Å; V95-F97 HydrophobicContact CG1-CD2 4.01Å; V95-F97 HydrophobicContact CG1-CE1 4.31Å; V95-F97 HydrophobicContact CG1-CE2 3.31Å; V95-F97 HydrophobicContact CG1-CZ 3.5Å; V95-F97 VanDerWaalsContact CG1-CZ 3.5Å; F97-N99 PolarHBondContact O-N 3.49Å; F97-Y100 CarbonylContact C-O 3.53Å; F97-Y100 VanDerWaalsContact CA-O 3.32Å; F97-Y100 WeakPolarHBondContact CA-O 3.32Å; F97-Y100 HydrophobicContact CB-CD1 3.9Å; F97-Y100 HydrophobicContact CB-CE1 3.87Å; F97-Y100 HydrophobicContact CB-CG 4.3Å; F97-Y100 WeakPolarHBondContact CB-O 3.2Å; F97-Y100 HydrophobicContact CD1-CE1 4.41Å; F97-Y100 HydrophobicContact CD2-CD1 4.23Å; F97-Y100 AromaticContact CD2-CD2 3.82Å; F97-Y100 HydrophobicContact CD2-CD2 3.82Å; F97-Y100 AromaticContact CD2-CE1 3.73Å; F97-Y100 HydrophobicContact CD2-CE1 3.73Å; F97-Y100 AromaticContact CD2-CE2 3.28Å; F97-Y100 HydrophobicContact CD2-CE2 3.28Å; F97-Y100 HydrophobicContact CD2-CG 4.27Å; F97-Y100 AromaticContact CD2-CZ 3.22Å; F97-Y100 WeakPolarHBondContact CD2-OH 3.33Å; F97-Y100 HydrophobicContact CE2-CD2 4.47Å; F97-Y100 HydrophobicContact CE2-CE1 4.36Å; F97-Y100 AromaticContact CE2-CE2 3.57Å; F97-Y100 HydrophobicContact CE2-CE2 3.57Å; F97-Y100 AromaticContact CE2-CZ 3.48Å; F97-Y100 VanDerWaalsContact CE2-CZ 3.48Å; F97-Y100 VanDerWaalsContact CE2-OH 3.26Å; F97-Y100 WeakPolarHBondContact CE2-OH 3.33Å; F97-Y100 HydrophobicContact CG-CD1 4.23Å; F97-Y100 AromaticContact CG-CE1 3.74Å; F97-Y100 HydrophobicContact CG-CE1 3.74Å; F97-Y100 HydrophobicContact CG-CE2 4.16Å; F97-Y100 AromaticContact CG-CZ 3.71Å; F97-Y100 PolarHBondContact N-O 3.07Å; F97-Y100 PolarHBondContact O-N 3.4Å
98P81.1Confident89Confident132 Ų13258.9 Ų58.986%0.85737%0.366SS*.SBendtrans-56.8-32.1175.5-26.735.1000113.8
99N81.5Confident89Confident128 Ų12861.6 Ų61.668%0.68438%0.381SS*.SBendtrans-102.4-18.7-173.6-62.4-22.6000113.7F97F97-N99 PolarHBondContact O-N 3.49Å
100Y87.5Confident89.3Confident52 Ų5259.5 Ų59.520%0.20437%0.37CS..  trans-159.4157.3-176.970.6-85.2000112F20 V24 F97 Q102 T116F20-Y100 HydrophobicContact CE2-CD2 4.37Å; F20-Y100 HydrophobicContact CE2-CG 4.3Å; F20-Y100 HydrophobicContact CZ-CD1 4.37Å; F20-Y100 AromaticContact CZ-CD2 3.81Å; F20-Y100 HydrophobicContact CZ-CD2 3.81Å; F20-Y100 HydrophobicContact CZ-CE2 4.25Å; F20-Y100 AromaticContact CZ-CG 3.87Å; F20-Y100 HydrophobicContact CZ-CG 3.87Å; V24-Y100 HydrophobicContact CG1-CD1 4.24Å; F97-Y100 CarbonylContact C-O 3.53Å; F97-Y100 VanDerWaalsContact CA-O 3.32Å; F97-Y100 WeakPolarHBondContact CA-O 3.32Å; F97-Y100 HydrophobicContact CB-CD1 3.9Å; F97-Y100 HydrophobicContact CB-CE1 3.87Å; F97-Y100 HydrophobicContact CB-CG 4.3Å; F97-Y100 WeakPolarHBondContact CB-O 3.2Å; F97-Y100 HydrophobicContact CD1-CE1 4.41Å; F97-Y100 HydrophobicContact CD2-CD1 4.23Å; F97-Y100 AromaticContact CD2-CD2 3.82Å; F97-Y100 HydrophobicContact CD2-CD2 3.82Å; F97-Y100 AromaticContact CD2-CE1 3.73Å; F97-Y100 HydrophobicContact CD2-CE1 3.73Å; F97-Y100 AromaticContact CD2-CE2 3.28Å; F97-Y100 HydrophobicContact CD2-CE2 3.28Å; F97-Y100 HydrophobicContact CD2-CG 4.27Å; F97-Y100 AromaticContact CD2-CZ 3.22Å; F97-Y100 WeakPolarHBondContact CD2-OH 3.33Å; F97-Y100 HydrophobicContact CE2-CD2 4.47Å; F97-Y100 HydrophobicContact CE2-CE1 4.36Å; F97-Y100 AromaticContact CE2-CE2 3.57Å; F97-Y100 HydrophobicContact CE2-CE2 3.57Å; F97-Y100 AromaticContact CE2-CZ 3.48Å; F97-Y100 VanDerWaalsContact CE2-CZ 3.48Å; F97-Y100 VanDerWaalsContact CE2-OH 3.26Å; F97-Y100 WeakPolarHBondContact CE2-OH 3.33Å; F97-Y100 HydrophobicContact CG-CD1 4.23Å; F97-Y100 AromaticContact CG-CE1 3.74Å; F97-Y100 HydrophobicContact CG-CE1 3.74Å; F97-Y100 HydrophobicContact CG-CE2 4.16Å; F97-Y100 AromaticContact CG-CZ 3.71Å; F97-Y100 PolarHBondContact N-O 3.07Å; F97-Y100 PolarHBondContact O-N 3.4Å; Y100-Q102 HydrophobicContact CD2-CB 4.42Å; Y100-Q102 HydrophobicContact CE2-CB 4.23Å; Y100-T116 CarbonylContact C-O 3.53Å; Y100-T116 WeakPolarHBondContact CA-O 3.44Å; Y100-T116 WeakPolarHBondContact CB-O 3.44Å
101H90.4Very high89.7Confident68 Ų6855.1 Ų55.132%0.31533%0.325SS..EExtended strand (participates in β ladder)trans-114.3136.4172.9-176.673.3000109.5V95 S96 V103 S115 T116V95-H101 PolarHBondContact O-ND1 2.79Å; S96-H101 PolarHBondContact OG-CE1 2.73Å; S96-H101 PolarHBondContact OG-ND1 2.97Å; H101-V103 VanDerWaalsContact NE2-CG2 3.31Å; H101-V103 WeakPolarHBondContact NE2-CG2 3.45Å; H101-S115 CarbonylContact O-C 3.5Å; H101-S115 WeakPolarHBondContact O-CA 3.47Å; H101-T116 PolarHBondContact N-O 3.11Å; H101-T116 PolarHBondContact O-N 2.92Å
102Q91.4Very high90.1Very high38 Ų3854.2 Ų54.218%0.17831%0.309CS..EExtended strand (participates in β ladder)trans-119.5135179.6-180171.1-2600110.7T94 V95 Y100 N104 T114 S115T94-Q102 CarbonylContact C-O 3.52Å; T94-Q102 WeakPolarHBondContact CA-O 3.47Å; V95-Q102 HydrophobicContact CB-CB 4.38Å; V95-Q102 PolarHBondContact N-O 2.84Å; V95-Q102 PolarHBondContact O-N 2.94Å; Y100-Q102 HydrophobicContact CD2-CB 4.42Å; Y100-Q102 HydrophobicContact CE2-CB 4.23Å; Q102-N104 WeakPolarHBondContact CG-OD1 3.39Å; Q102-N104 PolarHBondContact NE2-ND2 3.41Å; Q102-N104 PolarHBondContact NE2-OD1 2.88Å; Q102-T114 CarbonylContact C-O 3.46Å; Q102-T114 WeakPolarHBondContact CA-O 3.45Å; Q102-S115 WeakPolarHBondContact CG-OG 3.46Å; Q102-S115 PolarHBondContact OE1-OG 3.23Å
103V94.1Very high90.2Very high33 Ų3351.1 Ų51.120%0.230%0.296CS..EExtended strand (participates in β ladder)trans-128123.1176.2-176.60000108.9K92 L93 T94 H101 T114K92-V103 HydrophobicContact CB-CG1 4.13Å; K92-V103 HydrophobicContact CD-CG1 4.07Å; L93-V103 CarbonylContact O-C 3.52Å; L93-V103 VanDerWaalsContact O-CA 3.3Å; L93-V103 WeakPolarHBondContact O-CA 3.33Å; T94-V103 HydrophobicContact CG2-CG1 4.28Å; T94-V103 HydrophobicContact CG2-CG2 4.17Å; H101-V103 VanDerWaalsContact NE2-CG2 3.31Å; H101-V103 WeakPolarHBondContact NE2-CG2 3.45Å; V103-T114 PolarHBondContact N-O 3.16Å; V103-T114 PolarHBondContact O-N 2.87Å
104N93.6Very high90.3Very high9 Ų952.6 Ų52.65%0.04831%0.305CS..EExtended strand (participates in β ladder)trans-113.6129.8173.8-55.6-11.1000109.4F5 W52 K92 L93 Q102 I112 E113F5-N104 HydrophobicContact CE1-CB 4.23Å; F5-N104 WeakPolarHBondContact CZ-O 3.1Å; W52-N104 HydrophobicContact CH2-CB 4.23Å; W52-N104 WeakPolarHBondContact CH2-ND2 3.43Å; K92-N104 CarbonylContact C-O 3.59Å; K92-N104 WeakPolarHBondContact CA-O 3.49Å; L93-N104 HydrophobicContact CB-CB 4.19Å; L93-N104 PolarHBondContact N-O 2.79Å; L93-N104 PolarHBondContact O-N 3.05Å; Q102-N104 WeakPolarHBondContact CG-OD1 3.39Å; Q102-N104 PolarHBondContact NE2-ND2 3.41Å; Q102-N104 PolarHBondContact NE2-OD1 2.88Å; N104-I112 CarbonylContact C-O 3.55Å; N104-I112 WeakPolarHBondContact CA-O 3.4Å; N104-E113 HydrophobicContact CB-CG 4.43Å
105E93.8Very high90.2Very high52 Ų5252.4 Ų52.424%0.24330%0.304CS..EExtended strand (participates in β ladder)trans-137.3150.7177.667.6-178.2112.700111.5K92 I112K92-E105 HydrophobicContact CB-CB 4.32Å; K92-E105 HydrophobicContact CD-CB 3.98Å; K92-E105 WeakPolarHBondContact CE-OE2 2.99Å; K92-E105 HydrophobicContact CG-CB 3.81Å; K92-E105 IonicContact NZ-OE1 2.83Å; K92-E105 PolarHBondContact NZ-OE1 2.9Å; K92-E105 IonicContact NZ-OE2 2.79Å; K92-E105 PolarHBondContact NZ-OE2 3.34Å; E105-I112 HydrophobicContact CG-CB 4.02Å; E105-I112 PolarHBondContact N-O 3.49Å; E105-I112 PolarHBondContact O-N 2.79Å
106V92.6Very high90.3Very high35 Ų3554.5 Ų54.521%0.21232%0.316CS..EExtended strand (participates in β ladder)trans-106.7120.2173.5174.80000108.8A4 F5 W9 G108 K110 L111A4-V106 HydrophobicContact CB-CB 4.16Å; A4-V106 HydrophobicContact CB-CG1 4.36Å; F5-V106 HydrophobicContact CD1-CG2 3.53Å; F5-V106 HydrophobicContact CD2-CG2 4.45Å; F5-V106 HydrophobicContact CE1-CG2 3.7Å; F5-V106 HydrophobicContact CG-CG2 3.93Å; F5-V106 HydrophobicContact CZ-CG2 4.23Å; W9-V106 HydrophobicContact CH2-CG1 3.7Å; W9-V106 HydrophobicContact CH2-CG2 4.02Å; W9-V106 HydrophobicContact CZ2-CG1 4.41Å; W9-V106 HydrophobicContact CZ2-CG2 4.03Å; W9-V106 HydrophobicContact CZ3-CG1 4.46Å; V106-G108 WeakPolarHBondContact CG1-O 3.44Å; V106-K110 WeakPolarHBondContact CA-O 2.99Å; V106-L111 HydrophobicContact CG2-CD1 3.9Å
107S89.9Confident90.5Very high71 Ų7150.6 Ų50.650%0.49729%0.29SS..EExtended strand (participates in β ladder)trans-119.9100176.8179.70000109.3D109 K110S107-D109 PolarHBondContact O-N 3.15Å; S107-K110 PolarHBondContact N-O 2.88Å; S107-K110 PolarHBondContact O-N 2.95Å
108G88.3Confident90.7Very high63 Ų6352.4 Ų52.465%0.64932%0.318SS*.THydrogen-bonded Turntrans64.7-123.2-17300000111V106 K110V106-G108 WeakPolarHBondContact CG1-O 3.44Å; G108-K110 VanDerWaalsContact C-N 3.33Å
109D90.1Very high91Very high120 Ų12053 Ų5364%0.64232%0.32SS*.THydrogen-bonded Turntrans-96.519.7178.3-58.9-42.9000113S107 K128S107-D109 PolarHBondContact O-N 3.15Å; D109-K128 HydrophobicContact CB-CB 4.39Å; D109-K128 PolarHBondContact O-N 3.43Å
110K93.1Very high91.6Very high87 Ų8748.4 Ų48.438%0.37830%0.296SS..EExtended strand (participates in β ladder)trans-120.5129.7178.1-57.5-163.4178.7-151.30111.7E12 V106 S107 G108 I125 S126E12-K110 IonicContact OE1-NZ 3.96Å; E12-K110 PolarHBondContact OE1-NZ 3.06Å; E12-K110 IonicContact OE2-NZ 2.82Å; V106-K110 WeakPolarHBondContact CA-O 2.99Å; S107-K110 PolarHBondContact N-O 2.88Å; S107-K110 PolarHBondContact O-N 2.95Å; G108-K110 VanDerWaalsContact C-N 3.33Å; K110-I125 HydrophobicContact CB-CG2 4.22Å; K110-I125 HydrophobicContact CD-CG2 3.76Å; K110-I125 HydrophobicContact CG-CG2 4.46Å; K110-S126 CarbonylContact C-O 3.57Å; K110-S126 VanDerWaalsContact CA-O 3.3Å; K110-S126 WeakPolarHBondContact CA-O 3.26Å
111L94Very high91.9Very high0 Ų049.3 Ų49.30%031%0.307CS..EExtended strand (participates in β ladder)trans-90.5120.4166.1173.266.3000108.2F5 W9 T41 W52 V106 E113 I125 S126F5-L111 HydrophobicContact CD1-CD1 3.85Å; F5-L111 HydrophobicContact CE1-CD1 3.92Å; W9-L111 HydrophobicContact CB-CB 4.33Å; W9-L111 HydrophobicContact CB-CD2 3.96Å; W9-L111 HydrophobicContact CD2-CB 3.56Å; W9-L111 HydrophobicContact CD2-CD2 4.11Å; W9-L111 HydrophobicContact CD2-CG 4.43Å; W9-L111 HydrophobicContact CE3-CB 3.45Å; W9-L111 VanDerWaalsContact CE3-CB 3.45Å; W9-L111 HydrophobicContact CG-CB 3.96Å; W9-L111 HydrophobicContact CG-CD2 3.69Å; W9-L111 HydrophobicContact CG-CG 4.47Å; W9-L111 HydrophobicContact CH2-CB 4.49Å; W9-L111 HydrophobicContact CZ3-CB 3.94Å; T41-L111 HydrophobicContact CG2-CD2 4.27Å; W52-L111 HydrophobicContact CH2-CD1 4.27Å; W52-L111 HydrophobicContact CH2-CD2 4.12Å; W52-L111 HydrophobicContact CZ2-CD2 4.09Å; V106-L111 HydrophobicContact CG2-CD1 3.9Å; L111-E113 HydrophobicContact CD2-CG 4.42Å; L111-E113 HydrophobicContact CG-CG 4.14Å; L111-I125 WeakPolarHBondContact O-CA 3.32Å; L111-S126 PolarHBondContact N-O 3.13Å; L111-S126 PolarHBondContact O-N 2.93Å
112I94.4Very high91.9Very high29 Ų2946.6 Ų46.615%0.14930%0.295CS..EExtended strand (participates in β ladder)trans-111.4116.6-179.4-55.1172000107.6N104 E105 K123 R124N104-I112 CarbonylContact C-O 3.55Å; N104-I112 WeakPolarHBondContact CA-O 3.4Å; E105-I112 HydrophobicContact CG-CB 4.02Å; E105-I112 PolarHBondContact N-O 3.49Å; E105-I112 PolarHBondContact O-N 2.79Å; I112-K123 HydrophobicContact CG2-CG 4.4Å; I112-R124 WeakPolarHBondContact CA-O 3.4Å
113E93.1Very high92.1Very high11 Ų1148.5 Ų48.55%0.05130%0.302CS..EExtended strand (participates in β ladder)trans-111.1117.8177.8-54.7171.383.900108N104 L111 K123 R124N104-E113 HydrophobicContact CB-CG 4.43Å; L111-E113 HydrophobicContact CD2-CG 4.42Å; L111-E113 HydrophobicContact CG-CG 4.14Å; E113-K123 CarbonylContact O-C 3.55Å; E113-K123 WeakPolarHBondContact O-CA 3.38Å; E113-R124 HydrophobicContact CB-CB 4.25Å; E113-R124 PolarHBondContact N-O 3.41Å; E113-R124 PolarHBondContact O-N 3.3Å
114T93.8Very high92Very high33 Ų3348.5 Ų48.520%0.20230%0.299CS..EExtended strand (participates in β ladder)trans-119.7113.6-177.6-52.30000109.5Q102 V103 V121 L122Q102-T114 CarbonylContact C-O 3.46Å; Q102-T114 WeakPolarHBondContact CA-O 3.45Å; V103-T114 PolarHBondContact N-O 3.16Å; V103-T114 PolarHBondContact O-N 2.87Å; T114-V121 HydrophobicContact CG2-CG1 3.72Å; T114-L122 CarbonylContact C-O 3.42Å; T114-L122 WeakPolarHBondContact CA-O 3.45Å
115S92.5Very high92Very high8 Ų849.5 Ų49.56%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-111121.9176.5-57.30000109.8H101 Q102 V121 L122H101-S115 CarbonylContact O-C 3.5Å; H101-S115 WeakPolarHBondContact O-CA 3.47Å; Q102-S115 WeakPolarHBondContact CG-OG 3.46Å; Q102-S115 PolarHBondContact OE1-OG 3.23Å; S115-V121 WeakPolarHBondContact O-CA 3.43Å; S115-L122 PolarHBondContact N-O 3.29Å; S115-L122 PolarHBondContact O-N 2.78Å
116T92.8Very high92Very high55 Ų5547.1 Ų47.134%0.33729%0.293SS..EExtended strand (participates in β ladder)trans-114.8121.7-176.4-55.50000109.9Y100 H101 V121Y100-T116 CarbonylContact C-O 3.53Å; Y100-T116 WeakPolarHBondContact CA-O 3.44Å; Y100-T116 WeakPolarHBondContact CB-O 3.44Å; H101-T116 PolarHBondContact N-O 3.11Å; H101-T116 PolarHBondContact O-N 2.92Å; T116-V121 HydrophobicContact CG2-CG2 4.13Å
117A90.1Very high92.1Very high2 Ų249.1 Ų49.12%0.01730%0.299CS..EExtended strand (participates in β ladder)trans-127.4107.7176.700000108.8F20 L23 T119 V120F20-A117 HydrophobicContact CD2-CB 3.95Å; F20-A117 HydrophobicContact CE2-CB 3.66Å; L23-A117 HydrophobicContact CD2-CB 3.62Å; L23-A117 WeakPolarHBondContact CD2-O 3.25Å; L23-A117 HydrophobicContact CG-CB 4.45Å; A117-T119 PolarHBondContact O-N 2.89Å; A117-T119 VanDerWaalsContact O-N 3.14Å; A117-V120 PolarHBondContact N-O 2.79Å; A117-V120 PolarHBondContact O-N 3.24Å
118G86.6Confident92.3Very high74 Ų7450.1 Ų50.176%0.76329%0.294SS*.THydrogen-bonded Turntrans57.6-117.3-173.800000111.7
119T87.9Confident92.4Very high146 Ų14653.2 Ų53.290%0.89629%0.294SS*.THydrogen-bonded Turntrans-94.2-2.7176.659.40000113.8A117A117-T119 PolarHBondContact O-N 2.89Å; A117-T119 VanDerWaalsContact O-N 3.14Å
120V93.3Very high92.5Very high31 Ų3149.9 Ų49.919%0.18828%0.277CS..EExtended strand (participates in β ladder)trans-97.7132.2-177.6-179.60000109.8A19 F20 L23 A117A19-V120 HydrophobicContact CB-CG1 3.8Å; F20-V120 HydrophobicContact CB-CG1 3.97Å; L23-V120 HydrophobicContact CD2-CB 3.89Å; L23-V120 HydrophobicContact CD2-CG2 3.84Å; A117-V120 PolarHBondContact N-O 2.79Å; A117-V120 PolarHBondContact O-N 3.24Å
121V93.5Very high92.5Very high71 Ų7147.9 Ų47.943%0.4327%0.272SS..EExtended strand (participates in β ladder)trans-120.1122.3177.2-1780000108.8T114 S115 T116T114-V121 HydrophobicContact CG2-CG1 3.72Å; S115-V121 WeakPolarHBondContact O-CA 3.43Å; T116-V121 HydrophobicContact CG2-CG2 4.13Å
122L92.2Very high92.4Very high10 Ų1050.6 Ų50.65%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-93.6124.1164.3165.657.8000108.1E15 F20 T114 S115 R124E15-L122 WeakPolarHBondContact O-CA 3.4Å; E15-L122 VanDerWaalsContact O-CD1 3.26Å; E15-L122 WeakPolarHBondContact O-CD1 3.24Å; F20-L122 HydrophobicContact CB-CB 3.67Å; F20-L122 HydrophobicContact CB-CD2 4.38Å; F20-L122 HydrophobicContact CD1-CB 4.09Å; F20-L122 HydrophobicContact CD1-CD2 3.59Å; F20-L122 HydrophobicContact CD2-CB 3.87Å; F20-L122 HydrophobicContact CE1-CD2 4.04Å; F20-L122 HydrophobicContact CG-CB 3.6Å; F20-L122 HydrophobicContact CG-CD2 4.01Å; F20-L122 HydrophobicContact CG-CG 4.47Å; T114-L122 CarbonylContact C-O 3.42Å; T114-L122 WeakPolarHBondContact CA-O 3.45Å; S115-L122 PolarHBondContact N-O 3.29Å; S115-L122 PolarHBondContact O-N 2.78Å; L122-R124 HydrophobicContact CD1-CG 3.76Å; L122-R124 HydrophobicContact CG-CG 4.13Å
123K93.8Very high92.2Very high78 Ų7851.8 Ų51.834%0.33930%0.295SS..EExtended strand (participates in β ladder)trans-121.7123.6173.6-170.6178.1-178.2-176.90109.4Q14 E15 I112 E113Q14-K123 CarbonylContact C-O 3.49Å; Q14-K123 VanDerWaalsContact CA-O 3.32Å; Q14-K123 WeakPolarHBondContact CA-O 3.45Å; E15-K123 PolarHBondContact N-O 3.28Å; E15-K123 PolarHBondContact O-N 3.47Å; I112-K123 HydrophobicContact CG2-CG 4.4Å; E113-K123 CarbonylContact O-C 3.55Å; E113-K123 WeakPolarHBondContact O-CA 3.38Å
124R92.8Very high92.2Very high34 Ų3454.4 Ų54.413%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-117.2132.4175.8-55.1177.671.8140.52.4108.4L11 Q14 I112 E113 L122L11-R124 HydrophobicContact CD1-CB 3.91Å; L11-R124 HydrophobicContact CD1-CG 4.44Å; Q14-R124 HydrophobicContact CB-CG 4.15Å; I112-R124 WeakPolarHBondContact CA-O 3.4Å; E113-R124 HydrophobicContact CB-CB 4.25Å; E113-R124 PolarHBondContact N-O 3.41Å; E113-R124 PolarHBondContact O-N 3.3Å; L122-R124 HydrophobicContact CD1-CG 3.76Å; L122-R124 HydrophobicContact CG-CG 4.13Å
125I93.9Very high92.1Very high29 Ų2955.8 Ų55.815%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-120120.1177.5-54.7177.8000106.5E12 S13 K110 L111E12-I125 WeakPolarHBondContact CA-O 3.33Å; E12-I125 WeakPolarHBondContact CB-O 3.5Å; E12-I125 PolarHBondContact N-O 3.17Å; S13-I125 PolarHBondContact N-O 2.89Å; S13-I125 PolarHBondContact O-N 3.43Å; S13-I125 WeakPolarHBondContact OG-CB 3.37Å; K110-I125 HydrophobicContact CB-CG2 4.22Å; K110-I125 HydrophobicContact CD-CG2 3.76Å; K110-I125 HydrophobicContact CG-CG2 4.46Å; L111-I125 WeakPolarHBondContact O-CA 3.32Å
126S94.3Very high92.1Very high2 Ų259.2 Ų59.21%0.01434%0.336CS..EExtended strand (participates in β ladder)trans-116.6135.1178.8-55.90000109.2E10 K110 L111E10-S126 CarbonylContact O-C 3.59Å; E10-S126 WeakPolarHBondContact O-CA 3.44Å; E10-S126 WeakPolarHBondContact O-CB 3.44Å; K110-S126 CarbonylContact C-O 3.57Å; K110-S126 VanDerWaalsContact CA-O 3.3Å; K110-S126 WeakPolarHBondContact CA-O 3.26Å; L111-S126 PolarHBondContact N-O 3.13Å; L111-S126 PolarHBondContact O-N 2.93Å
127K94.4Very high92Very high77 Ų7759.5 Ų59.534%0.33534%0.336SS..EExtended strand (participates in β ladder)trans-91.4146.7176.667.1-179.2-179.6-175.60110W9 E10 I129W9-K127 CarbonylContact C-O 3.52Å; W9-K127 VanDerWaalsContact CA-O 3.24Å; W9-K127 WeakPolarHBondContact CA-O 3.48Å; E10-K127 HydrophobicContact CB-CG 4.42Å; E10-K127 PolarHBondContact N-O 3.2Å; E10-K127 PolarHBondContact O-N 2.9Å; E10-K127 WeakPolarHBondContact OE2-CE 3.48Å; E10-K127 IonicContact OE2-NZ 2.69Å; E10-K127 PolarHBondContact OE2-NZ 3.28Å; K127-I129 HydrophobicContact CG-CG2 4.44Å
128K93.1Very high92.2Very high93 Ų9364.3 Ų64.340%0.40436%0.362SS..EExtended strand (participates in β ladder)trans-66.8138.4173.7-158.7169.3-169.4163.90110.8S6 K8 W9 D109S6-K128 PolarHBondContact O-NZ 3.06Å; S6-K128 VanDerWaalsContact O-NZ 3.09Å; K8-K128 WeakPolarHBondContact O-CA 3.05Å; W9-K128 HydrophobicContact CE3-CB 3.84Å; W9-K128 HydrophobicContact CE3-CG 4.26Å; W9-K128 HydrophobicContact CH2-CB 4.31Å; W9-K128 HydrophobicContact CH2-CD 4.06Å; W9-K128 HydrophobicContact CH2-CG 4.3Å; W9-K128 HydrophobicContact CZ2-CD 4.43Å; W9-K128 HydrophobicContact CZ3-CB 3.69Å; W9-K128 HydrophobicContact CZ3-CD 4.3Å; W9-K128 HydrophobicContact CZ3-CG 4.12Å; D109-K128 HydrophobicContact CB-CB 4.39Å; D109-K128 PolarHBondContact O-N 3.43Å
129I90.2Very high92.7Very high127 Ų12763.5 Ų63.565%0.65133%0.326SS*.  trans-125.80174.364.6166.9000111.8K8 E10 V40 K127K8-I129 HydrophobicContact CB-CD1 4.09Å; K8-I129 HydrophobicContact CB-CG1 3.56Å; K8-I129 PolarHBondContact O-N 3.17Å; E10-I129 HydrophobicContact CB-CD1 4.32Å; E10-I129 HydrophobicContact CB-CG2 3.72Å; V40-I129 HydrophobicContact CG1-CD1 3.95Å; V40-I129 HydrophobicContact CG2-CD1 4.36Å; K127-I129 HydrophobicContact CG-CG2 4.44Å

Retrieved 129 of 129 residues in 62.4 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).