A0A087XW51_POEFO Loading...

Protein tyrosine phosphatase type IVA 3-like

AlphaFold DB , UniProt , Accession A0A087XW51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 170 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
1M42.6Very low79.4Confident231 Ų23179.7 Ų79.7100%1.13844%0.435SS*.  0131.50-68.1177.8177.900108.6R3M1-R3 PolarHBondContact O-N 2.89Å; M1-R3 VanDerWaalsContact O-N 3.15Å
2N53.5Low80.2Confident171 Ų17183.3 Ų83.391%0.91444%0.443SS*.  trans-81.395.6-177.8-66.1-0.5000110.2
3R65.3Low80.9Confident109 Ų10981.2 Ų81.241%0.41143%0.432SS..PPolyproline II helixtrans-64.2138.7167.9-63.6-169.7-177.3172.50.7108.7M1 H20 T23 T26M1-R3 PolarHBondContact O-N 2.89Å; M1-R3 VanDerWaalsContact O-N 3.15Å; R3-H20 WeakPolarHBondContact CD-NE2 3Å; R3-H20 PolarHBondContact NH1-NE2 3.07Å; R3-T23 PolarHBondContact NH2-OG1 3.24Å; R3-T26 PolarHBondContact NH1-OG1 3.16Å
4P72.6Confident81.8Confident59 Ų5975.4 Ų75.438%0.38340%0.401SS..PPolyproline II helixtrans-64.1139.9177.726.4-33.5000110.8H20P4-H20 HydrophobicContact CG-CB 4.41Å; P4-H20 PolarHBondContact O-ND1 3.4Å
5A83.4Confident82.8Confident70 Ų7074.5 Ų74.558%0.57939%0.39SS*.PPolyproline II helixtrans-58.9152.2176.900000111.9
6P89.8Confident83.7Confident42 Ų4269.9 Ų69.927%0.27337%0.366SS..PPolyproline II helixtrans-62.2138.9170.529.3-35.6000110.1L17 T19 V33 Y37P6-L17 HydrophobicContact CB-CD1 4.14Å; P6-L17 HydrophobicContact CB-CG 4.38Å; P6-T19 HydrophobicContact CB-CG2 4.19Å; P6-V33 HydrophobicContact CG-CG1 4.27Å; P6-Y37 HydrophobicContact CG-CE2 4.15Å
7V92.3Very high84.5Confident17 Ų1765.8 Ų65.810%0.10335%0.345CS..EExtended strand (participates in β ladder)trans-113.3109.4-177.7163.10000109.6L9 L17 I18 K133 R134V7-L9 HydrophobicContact CG1-CD1 4.29Å; V7-L9 HydrophobicContact CG1-CG 4.21Å; V7-L17 CarbonylContact O-C 3.51Å; V7-L17 WeakPolarHBondContact O-CA 3.46Å; V7-I18 HydrophobicContact CB-CB 4.31Å; V7-I18 PolarHBondContact N-O 3.48Å; V7-I18 PolarHBondContact O-N 3.17Å; V7-K133 HydrophobicContact CG1-CB 3.53Å; V7-K133 HydrophobicContact CG1-CG 4.38Å; V7-R134 HydrophobicContact CG2-CB 4.24Å; V7-R134 HydrophobicContact CG2-CG 4.35Å
8E94.6Very high85Confident56 Ų5662.2 Ų62.226%0.26233%0.326SS..EExtended strand (participates in β ladder)trans-84.2136.7171.4-170.6174.8-159.300111.3R15 F16 L17 Y37E8-R15 IonicContact OE1-CZ 2.78Å; E8-R15 VanDerWaalsContact OE1-CZ 3.29Å; E8-R15 IonicContact OE1-NE 2.93Å; E8-R15 PolarHBondContact OE1-NE 3Å; E8-R15 IonicContact OE1-NH2 2.68Å; E8-R15 PolarHBondContact OE1-NH2 2.83Å; E8-F16 CarbonylContact C-O 3.45Å; E8-F16 WeakPolarHBondContact CA-O 3.45Å; E8-L17 HydrophobicContact CB-CD1 3.98Å; E8-Y37 HydrophobicContact CB-CD1 4.44Å; E8-Y37 HydrophobicContact CB-CE1 4.15Å; E8-Y37 WeakPolarHBondContact OE2-CE1 3.42Å
9L94.4Very high85.4Confident5 Ų559.1 Ų59.13%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-132.6116.3176.3-76.8162000109.1V7 F16 I18 V112 L129 I130 K133V7-L9 HydrophobicContact CG1-CD1 4.29Å; V7-L9 HydrophobicContact CG1-CG 4.21Å; L9-F16 HydrophobicContact CB-CB 4.4Å; L9-F16 PolarHBondContact N-O 3.2Å; L9-F16 PolarHBondContact O-N 3.16Å; L9-I18 HydrophobicContact CD1-CD1 3.73Å; L9-I18 HydrophobicContact CD1-CG1 4.37Å; L9-V112 HydrophobicContact CD1-CG1 3.87Å; L9-L129 HydrophobicContact CD2-CD2 4.48Å; L9-L129 HydrophobicContact CD2-CG 3.99Å; L9-I130 HydrophobicContact CD1-CG1 3.84Å; L9-K133 HydrophobicContact CD2-CB 4.37Å; L9-K133 HydrophobicContact CD2-CG 3.77Å; L9-K133 HydrophobicContact CG-CG 4.49Å
10C93.4Very high85.5Confident74 Ų7458.1 Ų58.150%0.530%0.303SS..EExtended strand (participates in β ladder)trans-109.2133.1178.4-53.20000109.8M14 R15C10-M14 WeakPolarHBondContact CA-O 3.46Å; C10-R15 HydrophobicContact CB-CG 4.41Å
11H91.7Very high85.7Confident43 Ų4356.6 Ų56.620%0.19930%0.295CS..EExtended strand (participates in β ladder)trans-148.9119.8171.4-173.669.3000110.7N13 M14 L116 S119 M121H11-N13 PolarHBondContact O-N 3.09Å; H11-M14 PolarHBondContact N-O 3.03Å; H11-M14 WeakPolarHBondContact O-CB 3.31Å; H11-M14 PolarHBondContact O-N 3.16Å; H11-L116 HydrophobicContact CB-CD2 3.42Å; H11-L116 VanDerWaalsContact CB-CD2 3.42Å; H11-S119 PolarHBondContact CD2-OG 3.47Å; H11-S119 PolarHBondContact NE2-OG 3.13Å; H11-M121 WeakPolarHBondContact CE1-CE 3.41Å; H11-M121 VanDerWaalsContact ND1-CE 3.32Å; H11-M121 WeakPolarHBondContact ND1-CE 3.32Å
12K89.1Confident87.9Confident122 Ų12245.6 Ų45.653%0.5324%0.241SC..THydrogen-bonded Turntrans54.2-131.4-171.4-57173.8-179.8-1770109.9M14 S119K12-M14 VanDerWaalsContact C-N 3.27Å; K12-M14 PolarHBondContact O-N 3.47Å; K12-S119 PolarHBondContact NZ-O 2.79Å
13N88.8Confident89.5Confident56 Ų5640.1 Ų40.130%0.29921%0.214SC..THydrogen-bonded Turntrans-77.7-2.5174.163-45.2000114.4H11 F89 F157H11-N13 PolarHBondContact O-N 3.09Å; N13-F89 PolarHBondContact ND2-O 2.7Å; N13-F157 WeakPolarHBondContact ND2-CD1 3.3Å; N13-F157 WeakPolarHBondContact ND2-CD2 3.42Å; N13-F157 WeakPolarHBondContact ND2-CG 3.32Å; N13-F157 WeakPolarHBondContact OD1-CD2 3.43Å; N13-F157 WeakPolarHBondContact OD1-CE2 3.31Å
14M94Very high90.6Very high0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-95.6132.9-176.5-51.3-170.3-67.300111.4C10 H11 K12 F16 F89 L155 F157C10-M14 WeakPolarHBondContact CA-O 3.46Å; H11-M14 PolarHBondContact N-O 3.03Å; H11-M14 WeakPolarHBondContact O-CB 3.31Å; H11-M14 PolarHBondContact O-N 3.16Å; K12-M14 VanDerWaalsContact C-N 3.27Å; K12-M14 PolarHBondContact O-N 3.47Å; M14-F16 HydrophobicContact CB-CE2 3.65Å; M14-F16 HydrophobicContact CB-CZ 3.8Å; M14-F16 HydrophobicContact CE-CE2 4.14Å; M14-F16 HydrophobicContact CE-CZ 4.27Å; M14-F16 HydrophobicContact CG-CZ 4.42Å; M14-F16 HydrophobicContact SD-CE2 4.29Å; M14-F16 HydrophobicContact SD-CZ 3.89Å; M14-F89 HydrophobicContact CB-CD2 3.94Å; M14-F89 HydrophobicContact CB-CE1 4.38Å; M14-F89 HydrophobicContact CB-CE2 3.54Å; M14-F89 HydrophobicContact CB-CZ 3.8Å; M14-F89 HydrophobicContact CG-CD2 3.53Å; M14-F89 HydrophobicContact CG-CE2 3.59Å; M14-F89 HydrophobicContact CG-CG 4.2Å; M14-F89 HydrophobicContact CG-CZ 4.33Å; M14-F89 HydrophobicContact SD-CD2 4.04Å; M14-F89 HydrophobicContact SD-CE2 3.96Å; M14-L155 HydrophobicContact SD-CB 4.35Å; M14-L155 HydrophobicContact SD-CD1 3.93Å; M14-F157 HydrophobicContact CG-CE2 3.83Å; M14-F157 HydrophobicContact SD-CE2 3.88Å
15R96.8Very high91.4Very high63 Ų6342.3 Ų42.324%0.23824%0.239CC..EExtended strand (participates in β ladder)trans-125131.3171.8-64.1173.857.7-132-3110.1E8 C10 Y37 G94 C96 V97E8-R15 IonicContact OE1-CZ 2.78Å; E8-R15 VanDerWaalsContact OE1-CZ 3.29Å; E8-R15 IonicContact OE1-NE 2.93Å; E8-R15 PolarHBondContact OE1-NE 3Å; E8-R15 IonicContact OE1-NH2 2.68Å; E8-R15 PolarHBondContact OE1-NH2 2.83Å; C10-R15 HydrophobicContact CB-CG 4.41Å; R15-Y37 PolarHBondContact NH1-O 2.84Å; R15-Y37 PolarHBondContact NH2-O 2.89Å; R15-G94 PolarHBondContact NH1-O 3.28Å; R15-C96 HydrophobicContact CB-CB 4.21Å; R15-C96 WeakPolarHBondContact O-CA 3.35Å; R15-V97 PolarHBondContact O-N 2.77Å
16F97.2Very high91.7Very high1 Ų140.9 Ų40.90%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-125.2143.6-179.1-55.7-76.3000111.4E8 L9 M14 W81 L85 F89 V97 V112 A115E8-F16 CarbonylContact C-O 3.45Å; E8-F16 WeakPolarHBondContact CA-O 3.45Å; L9-F16 HydrophobicContact CB-CB 4.4Å; L9-F16 PolarHBondContact N-O 3.2Å; L9-F16 PolarHBondContact O-N 3.16Å; M14-F16 HydrophobicContact CB-CE2 3.65Å; M14-F16 HydrophobicContact CB-CZ 3.8Å; M14-F16 HydrophobicContact CE-CE2 4.14Å; M14-F16 HydrophobicContact CE-CZ 4.27Å; M14-F16 HydrophobicContact CG-CZ 4.42Å; M14-F16 HydrophobicContact SD-CE2 4.29Å; M14-F16 HydrophobicContact SD-CZ 3.89Å; F16-W81 HydrophobicContact CD1-CH2 4.14Å; F16-W81 HydrophobicContact CD1-CZ2 4.41Å; F16-W81 HydrophobicContact CE1-CH2 4Å; F16-W81 HydrophobicContact CE1-CZ2 4.04Å; F16-L85 HydrophobicContact CE1-CD1 3.6Å; F16-L85 HydrophobicContact CE1-CD2 3.81Å; F16-L85 HydrophobicContact CE1-CG 4.34Å; F16-L85 HydrophobicContact CZ-CD1 3.81Å; F16-F89 HydrophobicContact CD1-CZ 4.35Å; F16-F89 AromaticContact CE1-CE2 3.79Å; F16-F89 HydrophobicContact CE1-CE2 3.79Å; F16-F89 AromaticContact CE1-CZ 3.81Å; F16-F89 HydrophobicContact CE1-CZ 3.81Å; F16-F89 AromaticContact CZ-CE2 3.77Å; F16-F89 HydrophobicContact CZ-CE2 3.77Å; F16-F89 HydrophobicContact CZ-CZ 4.05Å; F16-V97 VanDerWaalsContact CA-O 3.29Å; F16-V97 WeakPolarHBondContact CA-O 3.5Å; F16-V97 HydrophobicContact CD1-CB 4.39Å; F16-V112 HydrophobicContact CB-CG1 4.17Å; F16-V112 HydrophobicContact CB-CG2 4.13Å; F16-V112 HydrophobicContact CD1-CG2 4.41Å; F16-V112 HydrophobicContact CD2-CG1 3.87Å; F16-V112 HydrophobicContact CE2-CG1 4.47Å; F16-V112 HydrophobicContact CG-CG1 4.01Å; F16-V112 HydrophobicContact CG-CG2 4.24Å; F16-A115 HydrophobicContact CE1-CB 4.19Å; F16-A115 HydrophobicContact CE2-CB 4.24Å; F16-A115 HydrophobicContact CZ-CB 3.6Å
17L96.4Very high91.8Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-123.9106.2175.7-165.873.8000111.2P6 V7 E8 T19 L34 Y37 V39 V97 A98 V99P6-L17 HydrophobicContact CB-CD1 4.14Å; P6-L17 HydrophobicContact CB-CG 4.38Å; V7-L17 CarbonylContact O-C 3.51Å; V7-L17 WeakPolarHBondContact O-CA 3.46Å; E8-L17 HydrophobicContact CB-CD1 3.98Å; L17-T19 HydrophobicContact CD2-CG2 3.67Å; L17-T19 HydrophobicContact CG-CG2 3.77Å; L17-T19 PolarHBondContact O-N 2.97Å; L17-L34 HydrophobicContact CD2-CD2 4.17Å; L17-Y37 HydrophobicContact CD1-CD1 3.85Å; L17-Y37 HydrophobicContact CD1-CD2 3.81Å; L17-Y37 HydrophobicContact CD1-CE1 4.06Å; L17-Y37 HydrophobicContact CD1-CE2 4.04Å; L17-Y37 HydrophobicContact CD1-CG 3.73Å; L17-Y37 HydrophobicContact CD2-CD2 3.69Å; L17-Y37 HydrophobicContact CD2-CE2 4.46Å; L17-Y37 HydrophobicContact CD2-CG 3.91Å; L17-Y37 HydrophobicContact CG-CD2 4.43Å; L17-Y37 HydrophobicContact CG-CG 4.46Å; L17-V39 HydrophobicContact CB-CG2 4.28Å; L17-V39 HydrophobicContact CD2-CG2 3.84Å; L17-V97 PolarHBondContact N-O 3.14Å; L17-V97 VanDerWaalsContact N-O 3.11Å; L17-A98 HydrophobicContact CB-CB 4.08Å; L17-A98 CarbonylContact O-C 3.3Å; L17-A98 WeakPolarHBondContact O-CA 3.43Å; L17-V99 PolarHBondContact O-N 3.44Å
18I94Very high91.8Very high0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-88.4100176.9-49.5-179.6000109.2V7 L9 V99 A108 P109 V112 R134V7-I18 HydrophobicContact CB-CB 4.31Å; V7-I18 PolarHBondContact N-O 3.48Å; V7-I18 PolarHBondContact O-N 3.17Å; L9-I18 HydrophobicContact CD1-CD1 3.73Å; L9-I18 HydrophobicContact CD1-CG1 4.37Å; I18-V99 WeakPolarHBondContact CA-O 3.45Å; I18-A108 HydrophobicContact CG2-CB 4.14Å; I18-P109 HydrophobicContact CD1-CB 4.49Å; I18-P109 HydrophobicContact CD1-CG 4.13Å; I18-P109 HydrophobicContact CG2-CG 4.37Å; I18-V112 HydrophobicContact CD1-CB 4.31Å; I18-V112 HydrophobicContact CD1-CG2 3.97Å; I18-V112 HydrophobicContact CG1-CG2 4.01Å; I18-R134 PolarHBondContact O-NH1 2.68Å
19T92Very high91.6Very high3 Ų344.6 Ų44.62%0.01825%0.248CC..  trans-94.9-170.1-177.762.70000112.2P6 L17 F30 L34 V99 H100 R134P6-T19 HydrophobicContact CB-CG2 4.19Å; L17-T19 HydrophobicContact CD2-CG2 3.67Å; L17-T19 HydrophobicContact CG-CG2 3.77Å; L17-T19 PolarHBondContact O-N 2.97Å; T19-F30 HydrophobicContact CG2-CE2 4.2Å; T19-L34 HydrophobicContact CG2-CD2 4.46Å; T19-V99 PolarHBondContact N-O 3.22Å; T19-H100 WeakPolarHBondContact OG1-CB 3.25Å; T19-R134 PolarHBondContact O-NH2 2.93Å
20H88.5Confident91.6Very high39 Ų3945 Ų4518%0.18125%0.249CC..  trans-108.9159.2165.159.5-107.3000108.9R3 P4R3-H20 WeakPolarHBondContact CD-NE2 3Å; R3-H20 PolarHBondContact NH1-NE2 3.07Å; P4-H20 HydrophobicContact CG-CB 4.41Å; P4-H20 PolarHBondContact O-ND1 3.4Å
21N88.4Confident91.6Very high27 Ų2741.8 Ų41.814%0.14423%0.227CC..PPolyproline II helixtrans-65123.3175.2-172.474.4000111.1T49 H100 C101 V102N21-T49 PolarHBondContact ND2-OG1 3.38Å; N21-T49 PolarHBondContact OD1-OG1 2.7Å; N21-H100 PolarHBondContact OD1-CE1 3.23Å; N21-H100 PolarHBondContact OD1-ND1 3.24Å; N21-C101 WeakPolarHBondContact CB-O 3.03Å; N21-C101 PolarHBondContact N-O 3.09Å; N21-V102 PolarHBondContact N-O 3.47Å; N21-V102 VanDerWaalsContact N-O 3.07Å
22P90.1Very high91.7Very high0 Ų045.1 Ų45.10%024%0.243CC..PPolyproline II helixtrans-70159.9174.932.1-36.4000111.1L27 F30 Y50P22-L27 HydrophobicContact CB-CD1 4.42Å; P22-L27 HydrophobicContact CG-CD1 4.14Å; P22-F30 HydrophobicContact CB-CB 4.03Å; P22-F30 HydrophobicContact CB-CD1 4.11Å; P22-F30 HydrophobicContact CB-CD2 4.1Å; P22-F30 HydrophobicContact CB-CG 3.85Å; P22-F30 HydrophobicContact CG-CD1 3.8Å; P22-F30 HydrophobicContact CG-CD2 4.31Å; P22-F30 HydrophobicContact CG-CE1 3.83Å; P22-F30 HydrophobicContact CG-CE2 4.34Å; P22-F30 HydrophobicContact CG-CG 4.03Å; P22-F30 HydrophobicContact CG-CZ 4.12Å; P22-Y50 HydrophobicContact CG-CD1 3.66Å; P22-Y50 HydrophobicContact CG-CD2 4.26Å; P22-Y50 HydrophobicContact CG-CE1 3.49Å; P22-Y50 VanDerWaalsContact CG-CE1 3.49Å; P22-Y50 HydrophobicContact CG-CE2 4.12Å; P22-Y50 HydrophobicContact CG-CG 4.04Å
23T87.6Confident92Very high56 Ų5641.5 Ų41.534%0.34423%0.231SC..PPolyproline II helixtrans-102.9157.6158.452.10000108.5R3 S25 T26 L27R3-T23 PolarHBondContact NH2-OG1 3.24Å; T23-S25 PolarHBondContact O-N 3.44Å; T23-S25 PolarHBondContact OG1-OG 3.45Å; T23-S25 VanDerWaalsContact OG1-OG 3.06Å; T23-T26 PolarHBondContact N-OG1 3.23Å; T23-T26 CarbonylContact O-C 3.5Å; T23-T26 WeakPolarHBondContact O-CA 3.49Å; T23-T26 PolarHBondContact O-N 3.15Å; T23-T26 PolarHBondContact O-OG1 3.04Å; T23-T26 PolarHBondContact OG1-OG1 3.43Å; T23-T26 VanDerWaalsContact OG1-OG1 3.11Å; T23-L27 PolarHBondContact O-N 2.92Å
24D87.7Confident92.3Very high104 Ų10438.9 Ų38.956%0.55622%0.217SC*.G310 helixtrans-54.2-41.5-176.8-50.8-66.4000112.4T26 L27 Y50D24-T26 PolarHBondContact O-N 2.99Å; D24-L27 VanDerWaalsContact O-CB 3.26Å; D24-L27 WeakPolarHBondContact O-CB 3.14Å; D24-L27 PolarHBondContact O-N 3.24Å; D24-Y50 WeakPolarHBondContact OD1-CB 3.5Å
25S88.7Confident92.3Very high110 Ų11043.8 Ų43.877%0.76924%0.238SC*.G310 helixtrans-58.7-13.1172.855.90000115.8T23T23-S25 PolarHBondContact O-N 3.44Å; T23-S25 PolarHBondContact OG1-OG 3.45Å; T23-S25 VanDerWaalsContact OG1-OG 3.06Å
26T90.2Very high92.3Very high40 Ų4050.3 Ų50.325%0.24526%0.263CS..G310 helixtrans-119.54.5178.657.90000112.8R3 T23 D24 N28 S29 F30R3-T26 PolarHBondContact NH1-OG1 3.16Å; T23-T26 PolarHBondContact N-OG1 3.23Å; T23-T26 CarbonylContact O-C 3.5Å; T23-T26 WeakPolarHBondContact O-CA 3.49Å; T23-T26 PolarHBondContact O-N 3.15Å; T23-T26 PolarHBondContact O-OG1 3.04Å; T23-T26 PolarHBondContact OG1-OG1 3.43Å; T23-T26 VanDerWaalsContact OG1-OG1 3.11Å; D24-T26 PolarHBondContact O-N 2.99Å; T26-N28 PolarHBondContact O-N 2.92Å; T26-S29 PolarHBondContact O-N 3.4Å; T26-F30 WeakPolarHBondContact O-CB 3.38Å; T26-F30 PolarHBondContact O-N 3.12Å
27L90.9Very high92.2Very high10 Ų1053.5 Ų53.55%0.05228%0.275CS..Hα-helixtrans-65.4-39.6-170.6-168.561.3000112.6P22 T23 D24 F30 I31 Y50 L55P22-L27 HydrophobicContact CB-CD1 4.42Å; P22-L27 HydrophobicContact CG-CD1 4.14Å; T23-L27 PolarHBondContact O-N 2.92Å; D24-L27 VanDerWaalsContact O-CB 3.26Å; D24-L27 WeakPolarHBondContact O-CB 3.14Å; D24-L27 PolarHBondContact O-N 3.24Å; L27-F30 HydrophobicContact CD1-CD1 4.41Å; L27-F30 WeakPolarHBondContact O-CB 3.44Å; L27-F30 PolarHBondContact O-N 2.88Å; L27-I31 HydrophobicContact CG-CD1 4.3Å; L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.26Å; L27-I31 PolarHBondContact O-N 3.3Å; L27-Y50 HydrophobicContact CD1-CD2 3.47Å; L27-Y50 VanDerWaalsContact CD1-CD2 3.47Å; L27-Y50 HydrophobicContact CD1-CE2 3.83Å; L27-Y50 HydrophobicContact CD1-CG 4.2Å; L27-Y50 HydrophobicContact CD2-CD2 4.44Å; L27-L55 HydrophobicContact CD1-CD1 3.7Å; L27-L55 HydrophobicContact CG-CD1 4.31Å
28N92.3Very high92.1Very high115 Ų11555 Ų5562%0.61529%0.291SS*.Hα-helixtrans-63.9-50178.1-63.3-3000111.4T26 F30 I31 E32T26-N28 PolarHBondContact O-N 2.92Å; N28-F30 VanDerWaalsContact C-N 3.25Å; N28-F30 PolarHBondContact O-N 3.16Å; N28-I31 WeakPolarHBondContact O-CB 3.33Å; N28-I31 PolarHBondContact O-N 2.85Å; N28-I31 VanDerWaalsContact O-N 3.1Å; N28-E32 PolarHBondContact O-N 2.87Å
29S92.4Very high92.2Very high69 Ų6955.4 Ų55.448%0.48329%0.293SS..Hα-helixtrans-65.1-28.7176.2-48.30000112.7T26 V33T26-S29 PolarHBondContact O-N 3.4Å; S29-V33 WeakPolarHBondContact O-CG2 3.34Å; S29-V33 PolarHBondContact O-N 2.96Å; S29-V33 VanDerWaalsContact O-N 3.13Å
30F92.8Very high92.5Very high13 Ų1357.1 Ų57.16%0.05730%0.304CS..Hα-helixtrans-66.2-45.7170.6-179.6-107.2000111.1T19 P22 T26 L27 N28 E32 V33 L34 L55T19-F30 HydrophobicContact CG2-CE2 4.2Å; P22-F30 HydrophobicContact CB-CB 4.03Å; P22-F30 HydrophobicContact CB-CD1 4.11Å; P22-F30 HydrophobicContact CB-CD2 4.1Å; P22-F30 HydrophobicContact CB-CG 3.85Å; P22-F30 HydrophobicContact CG-CD1 3.8Å; P22-F30 HydrophobicContact CG-CD2 4.31Å; P22-F30 HydrophobicContact CG-CE1 3.83Å; P22-F30 HydrophobicContact CG-CE2 4.34Å; P22-F30 HydrophobicContact CG-CG 4.03Å; P22-F30 HydrophobicContact CG-CZ 4.12Å; T26-F30 WeakPolarHBondContact O-CB 3.38Å; T26-F30 PolarHBondContact O-N 3.12Å; L27-F30 HydrophobicContact CD1-CD1 4.41Å; L27-F30 WeakPolarHBondContact O-CB 3.44Å; L27-F30 PolarHBondContact O-N 2.88Å; N28-F30 VanDerWaalsContact C-N 3.25Å; N28-F30 PolarHBondContact O-N 3.16Å; F30-E32 PolarHBondContact O-N 3.26Å; F30-V33 WeakPolarHBondContact O-CB 3.32Å; F30-V33 PolarHBondContact O-N 3.4Å; F30-V33 VanDerWaalsContact O-N 3.17Å; F30-L34 HydrophobicContact CD1-CD1 3.88Å; F30-L34 HydrophobicContact CD1-CG 4.3Å; F30-L34 HydrophobicContact CE1-CD1 3.61Å; F30-L34 HydrophobicContact CE1-CD2 4.45Å; F30-L34 HydrophobicContact CE1-CG 4.18Å; F30-L34 HydrophobicContact CZ-CD1 4.22Å; F30-L34 HydrophobicContact CZ-CD2 4.26Å; F30-L34 HydrophobicContact CZ-CG 4.43Å; F30-L34 WeakPolarHBondContact O-CG 3.45Å; F30-L34 PolarHBondContact O-N 2.95Å; F30-L55 HydrophobicContact CE1-CD2 4.34Å
31I94.2Very high92.9Very high6 Ų655.2 Ų55.23%0.03130%0.295CS..Hα-helixtrans-61.1-41.9175.1-66.7160.5000111.6L27 N28 V33 L34 K35 L55 D58 I60L27-I31 HydrophobicContact CG-CD1 4.3Å; L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.26Å; L27-I31 PolarHBondContact O-N 3.3Å; N28-I31 WeakPolarHBondContact O-CB 3.33Å; N28-I31 PolarHBondContact O-N 2.85Å; N28-I31 VanDerWaalsContact O-N 3.1Å; I31-V33 VanDerWaalsContact C-N 3.31Å; I31-V33 PolarHBondContact O-N 2.88Å; I31-L34 PolarHBondContact O-N 3.47Å; I31-K35 HydrophobicContact CG2-CD 3.96Å; I31-K35 HydrophobicContact CG2-CG 4.33Å; I31-K35 WeakPolarHBondContact O-CB 3.41Å; I31-K35 WeakPolarHBondContact O-CG 3.41Å; I31-K35 PolarHBondContact O-N 2.96Å; I31-L55 HydrophobicContact CD1-CD1 4.05Å; I31-L55 HydrophobicContact CD1-CG 4.47Å; I31-L55 HydrophobicContact CG1-CD1 3.92Å; I31-L55 HydrophobicContact CG1-CG 4.03Å; I31-D58 HydrophobicContact CG2-CB 4.13Å; I31-D58 VanDerWaalsContact CG2-OD2 3.31Å; I31-D58 WeakPolarHBondContact CG2-OD2 3.35Å; I31-I60 HydrophobicContact CG2-CD1 4.27Å
32E94.2Very high93.3Very high114 Ų11454 Ų5453%0.53329%0.288SS..Hα-helixtrans-57.7-41.8173.3-72170.9-15900112.5N28 F30 R36N28-E32 PolarHBondContact O-N 2.87Å; F30-E32 PolarHBondContact O-N 3.26Å; E32-R36 WeakPolarHBondContact O-CB 3.28Å; E32-R36 PolarHBondContact O-N 3.29Å
33V94Very high93.6Very high46 Ų4654 Ų5428%0.27929%0.288SS..Hα-helixtrans-65.2-46174.7168.10000110.9P6 S29 F30 I31 K35 R36 Y37P6-V33 HydrophobicContact CG-CG1 4.27Å; S29-V33 WeakPolarHBondContact O-CG2 3.34Å; S29-V33 PolarHBondContact O-N 2.96Å; S29-V33 VanDerWaalsContact O-N 3.13Å; F30-V33 WeakPolarHBondContact O-CB 3.32Å; F30-V33 PolarHBondContact O-N 3.4Å; F30-V33 VanDerWaalsContact O-N 3.17Å; I31-V33 VanDerWaalsContact C-N 3.31Å; I31-V33 PolarHBondContact O-N 2.88Å; V33-K35 PolarHBondContact O-N 2.85Å; V33-R36 PolarHBondContact O-N 3.42Å; V33-Y37 HydrophobicContact CG1-CD2 3.97Å; V33-Y37 HydrophobicContact CG1-CE2 4.02Å; V33-Y37 WeakPolarHBondContact O-CD2 3.45Å; V33-Y37 PolarHBondContact O-N 3.08Å; V33-Y37 VanDerWaalsContact O-N 3.15Å
34L95.8Very high93.9Very high0 Ų051.8 Ų51.80%027%0.274CS..Hα-helixtrans-58.3-47.5177-67-178.5000111.6L17 T19 F30 I31 R36 Y37 G38 V39 V42 L55 I60 A98L17-L34 HydrophobicContact CD2-CD2 4.17Å; T19-L34 HydrophobicContact CG2-CD2 4.46Å; F30-L34 HydrophobicContact CD1-CD1 3.88Å; F30-L34 HydrophobicContact CD1-CG 4.3Å; F30-L34 HydrophobicContact CE1-CD1 3.61Å; F30-L34 HydrophobicContact CE1-CD2 4.45Å; F30-L34 HydrophobicContact CE1-CG 4.18Å; F30-L34 HydrophobicContact CZ-CD1 4.22Å; F30-L34 HydrophobicContact CZ-CD2 4.26Å; F30-L34 HydrophobicContact CZ-CG 4.43Å; F30-L34 WeakPolarHBondContact O-CG 3.45Å; F30-L34 PolarHBondContact O-N 2.95Å; I31-L34 PolarHBondContact O-N 3.47Å; L34-R36 PolarHBondContact O-N 2.95Å; L34-Y37 PolarHBondContact O-N 3.45Å; L34-G38 PolarHBondContact O-N 3.47Å; L34-V39 HydrophobicContact CB-CB 4.06Å; L34-V39 HydrophobicContact CB-CG2 4.45Å; L34-V39 HydrophobicContact CD2-CB 4.2Å; L34-V39 HydrophobicContact CD2-CG1 4.14Å; L34-V39 HydrophobicContact CD2-CG2 4.04Å; L34-V39 WeakPolarHBondContact O-CB 3.38Å; L34-V39 PolarHBondContact O-N 3.33Å; L34-V42 HydrophobicContact CD1-CG2 3.56Å; L34-V42 HydrophobicContact CD2-CG2 4.19Å; L34-L55 HydrophobicContact CD1-CD2 3.9Å; L34-L55 HydrophobicContact CD1-CG 4.48Å; L34-I60 HydrophobicContact CB-CD1 3.83Å; L34-I60 HydrophobicContact CD1-CD1 3.9Å; L34-I60 HydrophobicContact CD1-CG2 4.47Å; L34-A98 HydrophobicContact CD2-CB 3.91Å
35K95.1Very high94.2Very high104 Ų10446.9 Ų46.945%0.45225%0.247SC..Hα-helixtrans-58.4-45.1175-74.8172.4172.9171.10111.7I31 V33 Y37 G38 D58I31-K35 HydrophobicContact CG2-CD 3.96Å; I31-K35 HydrophobicContact CG2-CG 4.33Å; I31-K35 WeakPolarHBondContact O-CB 3.41Å; I31-K35 WeakPolarHBondContact O-CG 3.41Å; I31-K35 PolarHBondContact O-N 2.96Å; V33-K35 PolarHBondContact O-N 2.85Å; K35-Y37 VanDerWaalsContact C-N 3.28Å; K35-Y37 PolarHBondContact O-N 3.3Å; K35-G38 PolarHBondContact O-N 2.94Å; K35-D58 VanDerWaalsContact CE-CG 3.46Å; K35-D58 WeakPolarHBondContact CE-OD1 3.28Å; K35-D58 IonicContact NZ-OD1 2.76Å; K35-D58 PolarHBondContact NZ-OD1 3.41Å; K35-D58 IonicContact NZ-OD2 3.29Å; K35-D58 PolarHBondContact NZ-OD2 3.26Å
36R95.1Very high94.2Very high199 Ų19941.8 Ų41.875%0.75121%0.212SC*.Hα-helixtrans-59.9-34.5178.9-171.9-178.3-59.7-173.32.5113.4E32 V33 L34 G38E32-R36 WeakPolarHBondContact O-CB 3.28Å; E32-R36 PolarHBondContact O-N 3.29Å; V33-R36 PolarHBondContact O-N 3.42Å; L34-R36 PolarHBondContact O-N 2.95Å; R36-G38 VanDerWaalsContact C-N 3.34Å
37Y95.3Very high94Very high69 Ų6945 Ų4527%0.27123%0.227SC..THydrogen-bonded Turntrans-85.1-2.8175.2-77.5-76.8000113.7P6 E8 R15 L17 V33 L34 K35P6-Y37 HydrophobicContact CG-CE2 4.15Å; E8-Y37 HydrophobicContact CB-CD1 4.44Å; E8-Y37 HydrophobicContact CB-CE1 4.15Å; E8-Y37 WeakPolarHBondContact OE2-CE1 3.42Å; R15-Y37 PolarHBondContact NH1-O 2.84Å; R15-Y37 PolarHBondContact NH2-O 2.89Å; L17-Y37 HydrophobicContact CD1-CD1 3.85Å; L17-Y37 HydrophobicContact CD1-CD2 3.81Å; L17-Y37 HydrophobicContact CD1-CE1 4.06Å; L17-Y37 HydrophobicContact CD1-CE2 4.04Å; L17-Y37 HydrophobicContact CD1-CG 3.73Å; L17-Y37 HydrophobicContact CD2-CD2 3.69Å; L17-Y37 HydrophobicContact CD2-CE2 4.46Å; L17-Y37 HydrophobicContact CD2-CG 3.91Å; L17-Y37 HydrophobicContact CG-CD2 4.43Å; L17-Y37 HydrophobicContact CG-CG 4.46Å; V33-Y37 HydrophobicContact CG1-CD2 3.97Å; V33-Y37 HydrophobicContact CG1-CE2 4.02Å; V33-Y37 WeakPolarHBondContact O-CD2 3.45Å; V33-Y37 PolarHBondContact O-N 3.08Å; V33-Y37 VanDerWaalsContact O-N 3.15Å; L34-Y37 PolarHBondContact O-N 3.45Å; K35-Y37 VanDerWaalsContact C-N 3.28Å; K35-Y37 PolarHBondContact O-N 3.3Å
38G94.9Very high93.7Very high32 Ų3248.5 Ų48.533%0.3325%0.253SS..THydrogen-bonded Turntrans68.937.8-17500000112.7L34 K35 R36 T40 C96L34-G38 PolarHBondContact O-N 3.47Å; K35-G38 PolarHBondContact O-N 2.94Å; R36-G38 VanDerWaalsContact C-N 3.34Å; G38-T40 PolarHBondContact O-N 3.01Å; G38-C96 WeakPolarHBondContact O-CB 3.43Å; G38-C96 PolarHBondContact O-N 2.91Å
39V97Very high93.5Very high7 Ų746.9 Ų46.94%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-78.2117.9178177.10000110.5L17 L34 T41 V42 I60 C96 A98L17-V39 HydrophobicContact CB-CG2 4.28Å; L17-V39 HydrophobicContact CD2-CG2 3.84Å; L34-V39 HydrophobicContact CB-CB 4.06Å; L34-V39 HydrophobicContact CB-CG2 4.45Å; L34-V39 HydrophobicContact CD2-CB 4.2Å; L34-V39 HydrophobicContact CD2-CG1 4.14Å; L34-V39 HydrophobicContact CD2-CG2 4.04Å; L34-V39 WeakPolarHBondContact O-CB 3.38Å; L34-V39 PolarHBondContact O-N 3.33Å; V39-T41 VanDerWaalsContact CG1-O 3.23Å; V39-T41 WeakPolarHBondContact CG1-O 3.48Å; V39-V42 HydrophobicContact CG1-CG2 4.07Å; V39-I60 HydrophobicContact CG1-CG2 4.49Å; V39-C96 VanDerWaalsContact CA-O 3.29Å; V39-C96 WeakPolarHBondContact CA-O 3.39Å; V39-C96 HydrophobicContact CB-CB 4.47Å; V39-C96 HydrophobicContact CG2-CB 3.84Å; V39-A98 HydrophobicContact CG1-CB 3.67Å; V39-A98 HydrophobicContact CG2-CB 4.11Å
40T96.5Very high93.3Very high39 Ų3944.2 Ų44.224%0.23923%0.226CC..EExtended strand (participates in β ladder)trans-105.1-3.9175.466.60000112.7G38 T61 D92 C95 C96G38-T40 PolarHBondContact O-N 3.01Å; T40-T61 PolarHBondContact O-N 3.34Å; T40-T61 VanDerWaalsContact O-N 3.14Å; T40-T61 PolarHBondContact O-OG1 3.42Å; T40-D92 WeakPolarHBondContact CG2-OD2 3.29Å; T40-D92 PolarHBondContact OG1-OD2 3.35Å; T40-C95 HydrophobicContact CG2-CB 4.23Å; T40-C96 PolarHBondContact N-O 3.12Å; T40-C96 VanDerWaalsContact N-O 3.14Å
41T97.3Very high93.1Very high0 Ų047.3 Ų47.30%024%0.244CC..EExtended strand (participates in β ladder)trans-151.4135.5175.5-62.50000112.4V39 V43 T61 V63 L84 K88 V97 A98V39-T41 VanDerWaalsContact CG1-O 3.23Å; V39-T41 WeakPolarHBondContact CG1-O 3.48Å; T41-V43 HydrophobicContact CG2-CG2 4.46Å; T41-T61 CarbonylContact C-O 3.43Å; T41-T61 VanDerWaalsContact CA-O 3.25Å; T41-T61 WeakPolarHBondContact CA-O 3.44Å; T41-V63 HydrophobicContact CG2-CG2 4.19Å; T41-L84 HydrophobicContact CG2-CD2 4.25Å; T41-K88 WeakPolarHBondContact OG1-CE 3.46Å; T41-K88 PolarHBondContact OG1-NZ 2.66Å; T41-V97 WeakPolarHBondContact O-CA 3.23Å; T41-A98 PolarHBondContact O-N 2.97Å
42V96.9Very high93.1Very high0 Ų050.1 Ų50.10%026%0.256CS..EExtended strand (participates in β ladder)trans-116.1123175.5175.60000109.3L34 V39 R44 L55 I60 T61 V62 V63 A98L34-V42 HydrophobicContact CD1-CG2 3.56Å; L34-V42 HydrophobicContact CD2-CG2 4.19Å; V39-V42 HydrophobicContact CG1-CG2 4.07Å; V42-R44 HydrophobicContact CG1-CG 4.29Å; V42-L55 HydrophobicContact CB-CD2 4.37Å; V42-L55 HydrophobicContact CG2-CD2 3.95Å; V42-I60 HydrophobicContact CB-CG2 4.46Å; V42-I60 HydrophobicContact CG2-CG2 3.62Å; V42-T61 PolarHBondContact N-O 3.28Å; V42-V62 WeakPolarHBondContact O-CA 3.45Å; V42-V63 PolarHBondContact O-N 3.28Å; V42-A98 WeakPolarHBondContact CA-O 3.49Å; V42-A98 HydrophobicContact CG2-CB 4.08Å
43V96.6Very high93Very high0 Ų047.2 Ų47.20%025%0.246CC..EExtended strand (participates in β ladder)trans-102.3119.3172.5-175.90000109.8T41 V45 V63 W65 W81 L84 V97 A98 V99 H100T41-V43 HydrophobicContact CG2-CG2 4.46Å; V43-V45 HydrophobicContact CG1-CG1 4.02Å; V43-V63 WeakPolarHBondContact CA-O 3.26Å; V43-V63 HydrophobicContact CG2-CB 4.37Å; V43-W65 HydrophobicContact CG1-CD2 4.4Å; V43-W65 HydrophobicContact CG1-CE3 3.6Å; V43-W65 HydrophobicContact CG1-CZ3 4.15Å; V43-W81 HydrophobicContact CB-CZ3 4.43Å; V43-W81 HydrophobicContact CG2-CE3 4.18Å; V43-W81 HydrophobicContact CG2-CZ3 3.81Å; V43-L84 HydrophobicContact CG2-CD2 3.82Å; V43-V97 HydrophobicContact CG2-CG1 4.29Å; V43-A98 PolarHBondContact N-O 2.92Å; V43-V99 HydrophobicContact CB-CG1 4.37Å; V43-V99 WeakPolarHBondContact O-CA 3.37Å; V43-H100 PolarHBondContact O-N 2.86Å
44R94.9Very high92.9Very high11 Ų1146.8 Ų46.84%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-95.1114.2178.2-44.7-156.6-70.1-171.9-3108.1V42 S48 Y50 V62 V63 D64 W65 H100V42-R44 HydrophobicContact CG1-CG 4.29Å; R44-S48 VanDerWaalsContact NH2-CB 3.27Å; R44-Y50 VanDerWaalsContact CD-OH 3.31Å; R44-Y50 WeakPolarHBondContact CD-OH 3.45Å; R44-Y50 PolarHBondContact NH1-O 3.04Å; R44-V62 HydrophobicContact CG-CG1 3.89Å; R44-V63 PolarHBondContact N-O 3.2Å; R44-D64 IonicContact CZ-OD1 2.66Å; R44-D64 IonicContact NE-OD1 2.69Å; R44-D64 PolarHBondContact NE-OD1 3.24Å; R44-D64 IonicContact NH2-OD1 2.61Å; R44-D64 PolarHBondContact NH2-OD1 2.83Å; R44-W65 CarbonylContact O-C 3.35Å; R44-W65 PolarHBondContact O-N 3.08Å; R44-H100 WeakPolarHBondContact CD-NE2 3.48Å; R44-H100 WeakPolarHBondContact CG-NE2 3.23Å
45V92.6Very high92.8Very high0 Ų046.8 Ų46.80%025%0.245CC..  trans-106.614.9-179.4-580000113.7V43 W65 F67 V99 H100 C101 R107 A108 L111V43-V45 HydrophobicContact CG1-CG1 4.02Å; V45-W65 WeakPolarHBondContact CA-O 3.29Å; V45-F67 HydrophobicContact CB-CD1 4.19Å; V45-F67 HydrophobicContact CB-CE1 3.81Å; V45-F67 HydrophobicContact CG1-CE1 4.09Å; V45-F67 HydrophobicContact CG2-CE1 4.47Å; V45-V99 HydrophobicContact CG1-CG1 4.05Å; V45-V99 HydrophobicContact CG2-CG1 4.43Å; V45-H100 VanDerWaalsContact CG2-O 3.27Å; V45-H100 WeakPolarHBondContact CG2-O 3.42Å; V45-H100 PolarHBondContact N-O 3.32Å; V45-C101 HydrophobicContact CG2-CB 3.95Å; V45-R107 HydrophobicContact CB-CB 4.33Å; V45-R107 HydrophobicContact CG2-CB 3.63Å; V45-R107 WeakPolarHBondContact O-CD 3.48Å; V45-R107 PolarHBondContact O-NH1 3.15Å; V45-A108 HydrophobicContact CG2-CB 4Å; V45-L111 HydrophobicContact CG1-CD1 3.54Å; V45-L111 HydrophobicContact CG1-CG 4.4Å
46C89.4Confident92.7Very high4 Ų445.5 Ų45.53%0.02724%0.241CC..SBendtrans-133173.2167.4640000109C101 V102C46-C101 VanDerWaalsContact SG-C 3.51Å; C46-V102 HydrophobicContact CB-CG2 4.15Å
47D85.9Confident92.7Very high106 Ų10643.6 Ų43.657%0.56724%0.238SC*.  trans-57.1141.4-178.1-44.7-82.8000111.7T49D47-T49 PolarHBondContact O-N 3.03Å
48S85.4Confident92.5Very high85 Ų8543.9 Ų43.959%0.59424%0.244SC*.  trans-71.7117.2-176.656.30000111R44R44-S48 VanDerWaalsContact NH2-CB 3.27Å
49T87.3Confident92.4Very high80 Ų8045.2 Ų45.249%0.49126%0.257SS..  trans-1193.4-175.543.70000113.5N21 D47N21-T49 PolarHBondContact ND2-OG1 3.38Å; N21-T49 PolarHBondContact OD1-OG1 2.7Å; D47-T49 PolarHBondContact O-N 3.03Å
50Y88.6Confident92.3Very high13 Ų1345.1 Ų45.15%0.05126%0.257CS..SBendtrans-150.1152.9177.266.2-86.6000109.3P22 D24 L27 R44 L55 H100P22-Y50 HydrophobicContact CG-CD1 3.66Å; P22-Y50 HydrophobicContact CG-CD2 4.26Å; P22-Y50 HydrophobicContact CG-CE1 3.49Å; P22-Y50 VanDerWaalsContact CG-CE1 3.49Å; P22-Y50 HydrophobicContact CG-CE2 4.12Å; P22-Y50 HydrophobicContact CG-CG 4.04Å; D24-Y50 WeakPolarHBondContact OD1-CB 3.5Å; L27-Y50 HydrophobicContact CD1-CD2 3.47Å; L27-Y50 VanDerWaalsContact CD1-CD2 3.47Å; L27-Y50 HydrophobicContact CD1-CE2 3.83Å; L27-Y50 HydrophobicContact CD1-CG 4.2Å; L27-Y50 HydrophobicContact CD2-CD2 4.44Å; R44-Y50 VanDerWaalsContact CD-OH 3.31Å; R44-Y50 WeakPolarHBondContact CD-OH 3.45Å; R44-Y50 PolarHBondContact NH1-O 3.04Å; Y50-L55 HydrophobicContact CE2-CD1 3.94Å; Y50-L55 HydrophobicContact CE2-CD2 4.42Å; Y50-H100 AromaticContact CE1-CE1 3.73Å; Y50-H100 AromaticContact CE1-NE2 3.67Å; Y50-H100 AromaticContact CZ-NE2 3.73Å; Y50-H100 PolarHBondContact OH-NE2 3.36Å
51D89.3Confident92.3Very high79 Ų7946 Ų4642%0.42226%0.262SS..  trans-72139.1177.8178.737.4000112.2T53D51-T53 PolarHBondContact OD1-N 3.48Å; D51-T53 VanDerWaalsContact OD2-CB 3.25Å; D51-T53 WeakPolarHBondContact OD2-CB 3.19Å; D51-T53 VanDerWaalsContact OD2-CG2 3.31Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.27Å; D51-T53 PolarHBondContact OD2-N 3.14Å; D51-T53 PolarHBondContact OD2-OG1 2.93Å
52K92.6Very high92.2Very high64 Ų6446.4 Ų46.428%0.27827%0.265SS..SBendtrans-86.5-16.9178.963.9170.7-163.9148.40114S54 L55 E56 V62K52-S54 PolarHBondContact O-N 2.77Å; K52-S54 VanDerWaalsContact O-N 3.12Å; K52-L55 PolarHBondContact O-N 3.2Å; K52-E56 WeakPolarHBondContact CD-OE1 3.33Å; K52-E56 VanDerWaalsContact CE-OE1 3.23Å; K52-E56 WeakPolarHBondContact CE-OE1 3.25Å; K52-E56 WeakPolarHBondContact CE-OE2 3.37Å; K52-E56 IonicContact NZ-OE1 3.3Å; K52-E56 PolarHBondContact NZ-OE1 3.21Å; K52-E56 IonicContact NZ-OE2 3.41Å; K52-E56 PolarHBondContact O-N 3.12Å; K52-V62 HydrophobicContact CB-CB 3.92Å; K52-V62 HydrophobicContact CB-CG1 3.9Å; K52-V62 HydrophobicContact CB-CG2 3.99Å; K52-V62 HydrophobicContact CD-CB 4.12Å; K52-V62 HydrophobicContact CD-CG1 4.25Å
53T92.7Very high92.2Very high54 Ų5447.6 Ų47.633%0.33127%0.272SS..Hα-helixtrans-60-30.7-17574.80000113D51 E56 K57D51-T53 PolarHBondContact OD1-N 3.48Å; D51-T53 VanDerWaalsContact OD2-CB 3.25Å; D51-T53 WeakPolarHBondContact OD2-CB 3.19Å; D51-T53 VanDerWaalsContact OD2-CG2 3.31Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.27Å; D51-T53 PolarHBondContact OD2-N 3.14Å; D51-T53 PolarHBondContact OD2-OG1 2.93Å; T53-E56 PolarHBondContact O-N 3.12Å; T53-K57 WeakPolarHBondContact O-CB 3.14Å; T53-K57 VanDerWaalsContact O-CD 3.31Å; T53-K57 WeakPolarHBondContact O-CD 3.15Å; T53-K57 WeakPolarHBondContact O-CG 3.45Å; T53-K57 PolarHBondContact O-N 3.43Å; T53-K57 PolarHBondContact OG1-NZ 3.2Å
54S91.5Very high92.1Very high37 Ų3750.7 Ų50.726%0.25929%0.288SS..Hα-helixtrans-64.2-37.2175.4-57.70000112.9K52K52-S54 PolarHBondContact O-N 2.77Å; K52-S54 VanDerWaalsContact O-N 3.12Å
55L93.3Very high92.1Very high0 Ų052.7 Ų52.70%030%0.296CS..Hα-helixtrans-73.1-41.4174.8-81.374.2000110.9L27 F30 I31 L34 V42 Y50 K52 D58 G59 I60 V62L27-L55 HydrophobicContact CD1-CD1 3.7Å; L27-L55 HydrophobicContact CG-CD1 4.31Å; F30-L55 HydrophobicContact CE1-CD2 4.34Å; I31-L55 HydrophobicContact CD1-CD1 4.05Å; I31-L55 HydrophobicContact CD1-CG 4.47Å; I31-L55 HydrophobicContact CG1-CD1 3.92Å; I31-L55 HydrophobicContact CG1-CG 4.03Å; L34-L55 HydrophobicContact CD1-CD2 3.9Å; L34-L55 HydrophobicContact CD1-CG 4.48Å; V42-L55 HydrophobicContact CB-CD2 4.37Å; V42-L55 HydrophobicContact CG2-CD2 3.95Å; Y50-L55 HydrophobicContact CE2-CD1 3.94Å; Y50-L55 HydrophobicContact CE2-CD2 4.42Å; K52-L55 PolarHBondContact O-N 3.2Å; L55-D58 CarbonylContact O-C 3.56Å; L55-D58 WeakPolarHBondContact O-CA 3.38Å; L55-D58 PolarHBondContact O-N 3.25Å; L55-D58 VanDerWaalsContact O-N 3.1Å; L55-G59 PolarHBondContact O-N 3.4Å; L55-I60 CarbonylContact C-O 3.55Å; L55-I60 HydrophobicContact CB-CB 4.18Å; L55-I60 HydrophobicContact CD2-CG2 4.39Å; L55-I60 WeakPolarHBondContact O-CB 3.11Å; L55-I60 PolarHBondContact O-N 2.87Å; L55-V62 HydrophobicContact CB-CG2 3.57Å; L55-V62 HydrophobicContact CD2-CG2 3.61Å; L55-V62 HydrophobicContact CG-CG2 4.21Å
56E94.3Very high92.1Very high76 Ų7656.1 Ų56.136%0.35532%0.318SS..Hα-helixtrans-68.6-36.1-177.9-66.5176.4146.500111.9K52 T53 D58 G59 V62K52-E56 WeakPolarHBondContact CD-OE1 3.33Å; K52-E56 VanDerWaalsContact CE-OE1 3.23Å; K52-E56 WeakPolarHBondContact CE-OE1 3.25Å; K52-E56 WeakPolarHBondContact CE-OE2 3.37Å; K52-E56 IonicContact NZ-OE1 3.3Å; K52-E56 PolarHBondContact NZ-OE1 3.21Å; K52-E56 IonicContact NZ-OE2 3.41Å; K52-E56 PolarHBondContact O-N 3.12Å; T53-E56 PolarHBondContact O-N 3.12Å; E56-D58 PolarHBondContact O-N 3Å; E56-G59 PolarHBondContact O-N 3.46Å; E56-G59 VanDerWaalsContact O-N 3.11Å; E56-V62 HydrophobicContact CG-CG2 4.34Å
57K93.6Very high92.2Very high160 Ų16056.5 Ų56.570%0.69632%0.319SS*.Hα-helixtrans-59-32.3169.2-76.3160.8-173.4152.40112.8T53 G59T53-K57 WeakPolarHBondContact O-CB 3.14Å; T53-K57 VanDerWaalsContact O-CD 3.31Å; T53-K57 WeakPolarHBondContact O-CD 3.15Å; T53-K57 WeakPolarHBondContact O-CG 3.45Å; T53-K57 PolarHBondContact O-N 3.43Å; T53-K57 PolarHBondContact OG1-NZ 3.2Å; K57-G59 VanDerWaalsContact C-N 3.29Å
58D92.3Very high92.3Very high75 Ų7557.5 Ų57.540%0.40132%0.324SS..THydrogen-bonded Turntrans-91.215.4178.2-90-41.3000113.5I31 K35 L55 E56 I60I31-D58 HydrophobicContact CG2-CB 4.13Å; I31-D58 VanDerWaalsContact CG2-OD2 3.31Å; I31-D58 WeakPolarHBondContact CG2-OD2 3.35Å; K35-D58 VanDerWaalsContact CE-CG 3.46Å; K35-D58 WeakPolarHBondContact CE-OD1 3.28Å; K35-D58 IonicContact NZ-OD1 2.76Å; K35-D58 PolarHBondContact NZ-OD1 3.41Å; K35-D58 IonicContact NZ-OD2 3.29Å; K35-D58 PolarHBondContact NZ-OD2 3.26Å; L55-D58 CarbonylContact O-C 3.56Å; L55-D58 WeakPolarHBondContact O-CA 3.38Å; L55-D58 PolarHBondContact O-N 3.25Å; L55-D58 VanDerWaalsContact O-N 3.1Å; E56-D58 PolarHBondContact O-N 3Å; D58-I60 VanDerWaalsContact C-N 3.27Å; D58-I60 PolarHBondContact O-N 3.4Å
59G92.6Very high92.1Very high59 Ų5958.7 Ų58.761%0.60832%0.324SS*.THydrogen-bonded Turntrans78.92175.500000115L55 E56 K57 T61L55-G59 PolarHBondContact O-N 3.4Å; E56-G59 PolarHBondContact O-N 3.46Å; E56-G59 VanDerWaalsContact O-N 3.11Å; K57-G59 VanDerWaalsContact C-N 3.29Å; G59-T61 PolarHBondContact O-N 2.99Å
60I95.8Very high91.7Very high5 Ų555.5 Ų55.53%0.02631%0.307CS..  trans-87.4112.2-176.9-54176.9000108.9I31 L34 V39 V42 L55 D58 V62I31-I60 HydrophobicContact CG2-CD1 4.27Å; L34-I60 HydrophobicContact CB-CD1 3.83Å; L34-I60 HydrophobicContact CD1-CD1 3.9Å; L34-I60 HydrophobicContact CD1-CG2 4.47Å; V39-I60 HydrophobicContact CG1-CG2 4.49Å; V42-I60 HydrophobicContact CB-CG2 4.46Å; V42-I60 HydrophobicContact CG2-CG2 3.62Å; L55-I60 CarbonylContact C-O 3.55Å; L55-I60 HydrophobicContact CB-CB 4.18Å; L55-I60 HydrophobicContact CD2-CG2 4.39Å; L55-I60 WeakPolarHBondContact O-CB 3.11Å; L55-I60 PolarHBondContact O-N 2.87Å; D58-I60 VanDerWaalsContact C-N 3.27Å; D58-I60 PolarHBondContact O-N 3.4Å; I60-V62 PolarHBondContact O-N 3.14Å
61T96.1Very high91.6Very high59 Ų5956 Ų5636%0.36231%0.314SS..EExtended strand (participates in β ladder)trans-65.3125.7176.2-44.10000110.2T40 T41 V42 G59 V63 K88T40-T61 PolarHBondContact O-N 3.34Å; T40-T61 VanDerWaalsContact O-N 3.14Å; T40-T61 PolarHBondContact O-OG1 3.42Å; T41-T61 CarbonylContact C-O 3.43Å; T41-T61 VanDerWaalsContact CA-O 3.25Å; T41-T61 WeakPolarHBondContact CA-O 3.44Å; V42-T61 PolarHBondContact N-O 3.28Å; G59-T61 PolarHBondContact O-N 2.99Å; T61-V63 HydrophobicContact CG2-CG2 4.31Å; T61-K88 PolarHBondContact OG1-NZ 3.15Å
62V95.8Very high91.5Very high8 Ų855.2 Ų55.25%0.04831%0.313CS..EExtended strand (participates in β ladder)trans-107.6130.1175.1-176.20000110.3V42 R44 K52 L55 E56 I60V42-V62 WeakPolarHBondContact O-CA 3.45Å; R44-V62 HydrophobicContact CG-CG1 3.89Å; K52-V62 HydrophobicContact CB-CB 3.92Å; K52-V62 HydrophobicContact CB-CG1 3.9Å; K52-V62 HydrophobicContact CB-CG2 3.99Å; K52-V62 HydrophobicContact CD-CB 4.12Å; K52-V62 HydrophobicContact CD-CG1 4.25Å; L55-V62 HydrophobicContact CB-CG2 3.57Å; L55-V62 HydrophobicContact CD2-CG2 3.61Å; L55-V62 HydrophobicContact CG-CG2 4.21Å; E56-V62 HydrophobicContact CG-CG2 4.34Å; I60-V62 PolarHBondContact O-N 3.14Å
63V95.5Very high91.5Very high24 Ų2452.3 Ų52.315%0.14530%0.301CS..EExtended strand (participates in β ladder)trans-124.8124.3-177.1-176.10000109.7T41 V42 V43 R44 T61 W65 L84T41-V63 HydrophobicContact CG2-CG2 4.19Å; V42-V63 PolarHBondContact O-N 3.28Å; V43-V63 WeakPolarHBondContact CA-O 3.26Å; V43-V63 HydrophobicContact CG2-CB 4.37Å; R44-V63 PolarHBondContact N-O 3.2Å; T61-V63 HydrophobicContact CG2-CG2 4.31Å; V63-W65 HydrophobicContact CG1-CD2 3.65Å; V63-W65 HydrophobicContact CG1-CE3 4.11Å; V63-W65 HydrophobicContact CG1-CG 4.14Å; V63-W65 HydrophobicContact CG1-CH2 4.04Å; V63-W65 HydrophobicContact CG1-CZ2 3.57Å; V63-W65 HydrophobicContact CG1-CZ3 4.28Å; V63-L84 HydrophobicContact CG2-CD2 4.29Å
64D94.8Very high91.6Very high66 Ų6653.2 Ų53.235%0.35331%0.307SS..EExtended strand (participates in β ladder)trans-107.897.9-166.9-51.6-83.1000110.1R44R44-D64 IonicContact CZ-OD1 2.66Å; R44-D64 IonicContact NE-OD1 2.69Å; R44-D64 PolarHBondContact NE-OD1 3.24Å; R44-D64 IonicContact NH2-OD1 2.61Å; R44-D64 PolarHBondContact NH2-OD1 2.83Å
65W94.6Very high91.7Very high53 Ų5357.4 Ų57.420%0.20133%0.327CS..  trans-129.667-175.4-69-23.5000112.5V43 R44 V45 V63 L77 D80 W81 L84V43-W65 HydrophobicContact CG1-CD2 4.4Å; V43-W65 HydrophobicContact CG1-CE3 3.6Å; V43-W65 HydrophobicContact CG1-CZ3 4.15Å; R44-W65 CarbonylContact O-C 3.35Å; R44-W65 PolarHBondContact O-N 3.08Å; V45-W65 WeakPolarHBondContact CA-O 3.29Å; V63-W65 HydrophobicContact CG1-CD2 3.65Å; V63-W65 HydrophobicContact CG1-CE3 4.11Å; V63-W65 HydrophobicContact CG1-CG 4.14Å; V63-W65 HydrophobicContact CG1-CH2 4.04Å; V63-W65 HydrophobicContact CG1-CZ2 3.57Å; V63-W65 HydrophobicContact CG1-CZ3 4.28Å; W65-L77 HydrophobicContact CB-CD1 3.97Å; W65-L77 HydrophobicContact CB-CG 4.1Å; W65-L77 HydrophobicContact CG-CG 4.44Å; W65-D80 HydrophobicContact CH2-CB 3.92Å; W65-D80 HydrophobicContact CZ2-CB 3.68Å; W65-W81 HydrophobicContact CH2-CB 4.48Å; W65-W81 HydrophobicContact CZ3-CB 3.82Å; W65-W81 HydrophobicContact CZ3-CE3 4.19Å; W65-L84 HydrophobicContact CH2-CB 3.96Å; W65-L84 HydrophobicContact CH2-CD2 3.68Å; W65-L84 HydrophobicContact CH2-CG 4.46Å; W65-L84 HydrophobicContact CZ3-CD2 3.91Å
66P93.1Very high91.8Very high71 Ų7164.3 Ų64.346%0.46136%0.357SS..  trans-64.6145.1175.728.9-35.3000112.2
67F91.6Very high91.8Very high13 Ų1361.3 Ų61.36%0.05734%0.344CS..  trans-149.3163.6166.466.5-85.7000110.2V45 P73 P74 L77 R107 L111V45-F67 HydrophobicContact CB-CD1 4.19Å; V45-F67 HydrophobicContact CB-CE1 3.81Å; V45-F67 HydrophobicContact CG1-CE1 4.09Å; V45-F67 HydrophobicContact CG2-CE1 4.47Å; F67-P73 HydrophobicContact CD2-CB 4.32Å; F67-P73 HydrophobicContact CE1-CB 4.15Å; F67-P73 HydrophobicContact CE2-CB 3.93Å; F67-P73 HydrophobicContact CZ-CB 3.83Å; F67-P74 HydrophobicContact CB-CG 4.37Å; F67-L77 HydrophobicContact CB-CD1 4.12Å; F67-L77 HydrophobicContact CD1-CD1 3.52Å; F67-L77 HydrophobicContact CE1-CD1 4.23Å; F67-L77 HydrophobicContact CG-CD1 4.15Å; F67-R107 HydrophobicContact CD2-CG 4.16Å; F67-R107 HydrophobicContact CE1-CB 3.98Å; F67-R107 HydrophobicContact CE1-CG 4.28Å; F67-R107 HydrophobicContact CE2-CB 4.05Å; F67-R107 HydrophobicContact CE2-CG 3.62Å; F67-R107 HydrophobicContact CZ-CB 3.56Å; F67-R107 HydrophobicContact CZ-CG 3.7Å; F67-R107 WeakPolarHBondContact O-CD 3.25Å; F67-R107 PolarHBondContact O-NH1 2.91Å; F67-L111 HydrophobicContact CE1-CD2 4.48Å
68D87.3Confident92Very high126 Ų12654 Ų5467%0.67431%0.312SS*.  trans-59.8142.8-170.9-59.5-22.3000114.1A71D68-A71 HydrophobicContact CB-CB 3.76Å; D68-A71 WeakPolarHBondContact O-CB 3.32Å; D68-A71 PolarHBondContact O-N 3.35Å
69D82.6Confident92.1Very high111 Ų11152.6 Ų52.659%0.59431%0.305SS*.THydrogen-bonded Turntrans-72.3135.6-178.4-155.756.8000112.7A71 R107D69-A71 PolarHBondContact O-N 2.84Å; D69-A71 VanDerWaalsContact O-N 3.11Å; D69-R107 IonicContact OD1-CZ 2.96Å; D69-R107 IonicContact OD1-NE 2.77Å; D69-R107 PolarHBondContact OD1-NE 2.77Å; D69-R107 IonicContact OD1-NH2 3.81Å; D69-R107 PolarHBondContact OD1-NH2 2.78Å
70G78.7Confident92.3Very high12 Ų1252.1 Ų52.112%0.12429%0.288CS..THydrogen-bonded Turntrans68.4-1.6-175.200000115.8N139G70-N139 VanDerWaalsContact CA-ND2 3.27Å; G70-N139 WeakPolarHBondContact CA-ND2 3.26Å
71A84.7Confident92.4Very high23 Ų2351.9 Ų51.919%0.1929%0.287CS..SBendtrans-77.9164.3168.500000111.7D68 D69 Q142D68-A71 HydrophobicContact CB-CB 3.76Å; D68-A71 WeakPolarHBondContact O-CB 3.32Å; D68-A71 PolarHBondContact O-N 3.35Å; D69-A71 PolarHBondContact O-N 2.84Å; D69-A71 VanDerWaalsContact O-N 3.11Å; A71-Q142 PolarHBondContact O-NE2 3.02Å
72P88.5Confident92.4Very high63 Ų6349 Ų4941%0.40927%0.27SS..PPolyproline II helixtrans-72150.1161.532-35.5000111.3Y145P72-Y145 HydrophobicContact CB-CD1 4.14Å; P72-Y145 HydrophobicContact CB-CD2 3.34Å; P72-Y145 HydrophobicContact CB-CE1 4.47Å; P72-Y145 HydrophobicContact CB-CE2 3.72Å; P72-Y145 HydrophobicContact CB-CG 3.57Å; P72-Y145 HydrophobicContact CG-CD2 4.34Å
73P92.8Very high92.4Very high4 Ų452.1 Ų52.13%0.02629%0.289CS..PPolyproline II helixtrans-67140.4174.427.4-34.1000111.6F67 L77 V78 V110 L111 L114 Y145F67-P73 HydrophobicContact CD2-CB 4.32Å; F67-P73 HydrophobicContact CE1-CB 4.15Å; F67-P73 HydrophobicContact CE2-CB 3.93Å; F67-P73 HydrophobicContact CZ-CB 3.83Å; P73-L77 HydrophobicContact CB-CD2 4.25Å; P73-V78 HydrophobicContact CB-CG2 3.87Å; P73-V78 HydrophobicContact CG-CG2 3.66Å; P73-V110 HydrophobicContact CG-CG1 4.12Å; P73-L111 HydrophobicContact CB-CD2 4Å; P73-L111 HydrophobicContact CG-CD2 4.13Å; P73-L114 HydrophobicContact CG-CD1 3.83Å; P73-Y145 HydrophobicContact CG-CE1 3.95Å
74P94.7Very high92.5Very high72 Ų7252.5 Ų52.547%0.46829%0.289SS..PPolyproline II helixtrans-59.3144.7174.9-25.534.7000113F67 K76 L77 V78F67-P74 HydrophobicContact CB-CG 4.37Å; P74-K76 VanDerWaalsContact C-N 3.27Å; P74-K76 PolarHBondContact O-N 2.99Å; P74-K76 VanDerWaalsContact O-N 3.15Å; P74-L77 HydrophobicContact CB-CB 4.45Å; P74-L77 WeakPolarHBondContact O-CB 2.78Å; P74-L77 PolarHBondContact O-N 2.94Å; P74-V78 PolarHBondContact O-N 3.15Å
75N93.5Very high92.5Very high125 Ų12549.3 Ų49.367%0.66827%0.273SS*.Hα-helixtrans-53.8-39.7-177-71.8-17.6000113.6V78 D79N75-V78 PolarHBondContact O-N 3.13Å; N75-D79 PolarHBondContact O-N 3.37Å
76K94.4Very high92.5Very high145 Ų14551.2 Ų51.263%0.6328%0.282SS*.Hα-helixtrans-61.5-46.8176.3-167.2-162.4178.4-57.40111.6P74 V78 D79 D80P74-K76 VanDerWaalsContact C-N 3.27Å; P74-K76 PolarHBondContact O-N 2.99Å; P74-K76 VanDerWaalsContact O-N 3.15Å; K76-V78 VanDerWaalsContact C-N 3.3Å; K76-V78 PolarHBondContact O-N 3.4Å; K76-D79 PolarHBondContact O-N 2.94Å; K76-D79 VanDerWaalsContact O-N 3.16Å; K76-D80 IonicContact NZ-OD1 3.71Å; K76-D80 PolarHBondContact NZ-OD1 3.34Å; K76-D80 IonicContact NZ-OD2 2.72Å; K76-D80 PolarHBondContact NZ-OD2 2.86Å; K76-D80 WeakPolarHBondContact O-CB 3.5Å; K76-D80 PolarHBondContact O-N 3.39Å
77L95.6Very high92.6Very high14 Ų1453.4 Ų53.47%0.07329%0.285CS..Hα-helixtrans-59.5-42.3178-170.9166000110.6W65 F67 P73 P74 D80 W81 L111W65-L77 HydrophobicContact CB-CD1 3.97Å; W65-L77 HydrophobicContact CB-CG 4.1Å; W65-L77 HydrophobicContact CG-CG 4.44Å; F67-L77 HydrophobicContact CB-CD1 4.12Å; F67-L77 HydrophobicContact CD1-CD1 3.52Å; F67-L77 HydrophobicContact CE1-CD1 4.23Å; F67-L77 HydrophobicContact CG-CD1 4.15Å; P73-L77 HydrophobicContact CB-CD2 4.25Å; P74-L77 HydrophobicContact CB-CB 4.45Å; P74-L77 WeakPolarHBondContact O-CB 2.78Å; P74-L77 PolarHBondContact O-N 2.94Å; L77-D80 PolarHBondContact O-N 3.46Å; L77-W81 WeakPolarHBondContact O-CB 3.29Å; L77-W81 PolarHBondContact O-N 3.23Å; L77-L111 HydrophobicContact CD2-CD1 3.97Å; L77-L111 HydrophobicContact CD2-CD2 3.76Å
78V96.3Very high92.7Very high5 Ų554.5 Ų54.53%0.0329%0.289CS..Hα-helixtrans-61.9-47.2174.5177.90000111.5P73 P74 N75 K76 W81 L82 L114 Y149P73-V78 HydrophobicContact CB-CG2 3.87Å; P73-V78 HydrophobicContact CG-CG2 3.66Å; P74-V78 PolarHBondContact O-N 3.15Å; N75-V78 PolarHBondContact O-N 3.13Å; K76-V78 VanDerWaalsContact C-N 3.3Å; K76-V78 PolarHBondContact O-N 3.4Å; V78-W81 PolarHBondContact O-N 3.17Å; V78-L82 HydrophobicContact CG1-CD1 3.89Å; V78-L82 HydrophobicContact CG1-CG 4.43Å; V78-L82 VanDerWaalsContact O-CG 3.23Å; V78-L82 WeakPolarHBondContact O-CG 3.3Å; V78-L82 PolarHBondContact O-N 2.81Å; V78-L114 HydrophobicContact CG1-CD1 4.03Å; V78-L114 HydrophobicContact CG2-CD1 3.72Å; V78-Y149 HydrophobicContact CG1-CE2 4.24Å
79D95.9Very high93Very high47 Ų4748.7 Ų48.725%0.25126%0.258SS..Hα-helixtrans-70.2-31.2-179.9-83.6-47.6000113.4N75 K76 T83 K152 R154N75-D79 PolarHBondContact O-N 3.37Å; K76-D79 PolarHBondContact O-N 2.94Å; K76-D79 VanDerWaalsContact O-N 3.16Å; D79-T83 WeakPolarHBondContact O-CB 3.48Å; D79-T83 PolarHBondContact O-N 3.21Å; D79-T83 PolarHBondContact O-OG1 2.91Å; D79-K152 IonicContact OD1-NZ 2.76Å; D79-K152 PolarHBondContact OD1-NZ 3.31Å; D79-K152 IonicContact OD2-NZ 3.75Å; D79-K152 PolarHBondContact OD2-NZ 2.85Å; D79-R154 PolarHBondContact O-NH1 2.86Å; D79-R154 IonicContact OD1-CZ 2.7Å; D79-R154 IonicContact OD1-NH1 3.03Å; D79-R154 PolarHBondContact OD1-NH1 2.98Å
80D96.9Very high93.4Very high48 Ų4849.1 Ų49.126%0.25726%0.256SS..Hα-helixtrans-66.9-47.7171-65.4-31.5000110.7W65 K76 L77 L82 T83 L84W65-D80 HydrophobicContact CH2-CB 3.92Å; W65-D80 HydrophobicContact CZ2-CB 3.68Å; K76-D80 IonicContact NZ-OD1 3.71Å; K76-D80 PolarHBondContact NZ-OD1 3.34Å; K76-D80 IonicContact NZ-OD2 2.72Å; K76-D80 PolarHBondContact NZ-OD2 2.86Å; K76-D80 WeakPolarHBondContact O-CB 3.5Å; K76-D80 PolarHBondContact O-N 3.39Å; L77-D80 PolarHBondContact O-N 3.46Å; D80-L82 PolarHBondContact O-N 2.86Å; D80-T83 WeakPolarHBondContact O-CA 3.2Å; D80-T83 WeakPolarHBondContact O-CB 3.24Å; D80-T83 PolarHBondContact O-N 2.91Å; D80-T83 VanDerWaalsContact O-N 3.09Å; D80-L84 PolarHBondContact O-N 2.94Å
81W97.3Very high94Very high0 Ų054.4 Ų54.40%028%0.278CS..Hα-helixtrans-56.7-49.3177.4164.8-117.8000112.4F16 V43 W65 L77 V78 T83 L84 L85 V97 V99 L111 A115F16-W81 HydrophobicContact CD1-CH2 4.14Å; F16-W81 HydrophobicContact CD1-CZ2 4.41Å; F16-W81 HydrophobicContact CE1-CH2 4Å; F16-W81 HydrophobicContact CE1-CZ2 4.04Å; V43-W81 HydrophobicContact CB-CZ3 4.43Å; V43-W81 HydrophobicContact CG2-CE3 4.18Å; V43-W81 HydrophobicContact CG2-CZ3 3.81Å; W65-W81 HydrophobicContact CH2-CB 4.48Å; W65-W81 HydrophobicContact CZ3-CB 3.82Å; W65-W81 HydrophobicContact CZ3-CE3 4.19Å; L77-W81 WeakPolarHBondContact O-CB 3.29Å; L77-W81 PolarHBondContact O-N 3.23Å; V78-W81 PolarHBondContact O-N 3.17Å; W81-T83 PolarHBondContact O-N 3.47Å; W81-L84 PolarHBondContact O-N 2.86Å; W81-L85 HydrophobicContact CD2-CD1 4.04Å; W81-L85 HydrophobicContact CD2-CD2 4.47Å; W81-L85 HydrophobicContact CD2-CG 3.99Å; W81-L85 HydrophobicContact CE3-CD1 4.41Å; W81-L85 HydrophobicContact CE3-CD2 4.01Å; W81-L85 HydrophobicContact CE3-CG 3.97Å; W81-L85 HydrophobicContact CH2-CD1 3.98Å; W81-L85 HydrophobicContact CH2-CD2 3.67Å; W81-L85 HydrophobicContact CH2-CG 4.09Å; W81-L85 HydrophobicContact CZ2-CD1 3.55Å; W81-L85 HydrophobicContact CZ2-CD2 4.16Å; W81-L85 HydrophobicContact CZ2-CG 4.1Å; W81-L85 HydrophobicContact CZ3-CD1 4.39Å; W81-L85 HydrophobicContact CZ3-CD2 3.58Å; W81-L85 HydrophobicContact CZ3-CG 4.03Å; W81-L85 WeakPolarHBondContact O-CG 3.25Å; W81-L85 PolarHBondContact O-N 3.11Å; W81-V97 HydrophobicContact CH2-CG1 4.12Å; W81-V97 HydrophobicContact CZ3-CG1 3.83Å; W81-V99 HydrophobicContact CH2-CG2 3.37Å; W81-V99 HydrophobicContact CZ2-CG2 4.22Å; W81-V99 HydrophobicContact CZ3-CG2 3.89Å; W81-L111 HydrophobicContact CD2-CB 4.31Å; W81-L111 HydrophobicContact CD2-CD1 4.22Å; W81-L111 HydrophobicContact CE3-CD1 4.5Å; W81-L111 HydrophobicContact CG-CD1 4.39Å; W81-L111 HydrophobicContact CZ2-CB 3.88Å; W81-L111 PolarHBondContact NE1-O 3.26Å; W81-A115 HydrophobicContact CZ2-CB 4.29Å
82L96.4Very high94.3Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-66.6-27177.9-62.4171.7000112.4V78 D80 K86 E118 L155V78-L82 HydrophobicContact CG1-CD1 3.89Å; V78-L82 HydrophobicContact CG1-CG 4.43Å; V78-L82 VanDerWaalsContact O-CG 3.23Å; V78-L82 WeakPolarHBondContact O-CG 3.3Å; V78-L82 PolarHBondContact O-N 2.81Å; D80-L82 PolarHBondContact O-N 2.86Å; L82-K86 VanDerWaalsContact O-CB 3.28Å; L82-K86 WeakPolarHBondContact O-CB 3.37Å; L82-K86 PolarHBondContact O-N 3.2Å; L82-K86 VanDerWaalsContact O-N 3.15Å; L82-E118 HydrophobicContact CD1-CG 3.63Å; L82-E118 HydrophobicContact CD2-CB 3.84Å; L82-E118 HydrophobicContact CD2-CG 3.62Å; L82-E118 HydrophobicContact CG-CG 4.25Å; L82-L155 HydrophobicContact CD2-CD1 3.69Å; L82-L155 HydrophobicContact CD2-CG 4.2Å
83T96.2Very high94.3Very high73 Ų7358.4 Ų58.445%0.44830%0.298SS..Hα-helixtrans-71.9-46172.3-52.70000111.2D79 D80 W81 K86 K87 R154D79-T83 WeakPolarHBondContact O-CB 3.48Å; D79-T83 PolarHBondContact O-N 3.21Å; D79-T83 PolarHBondContact O-OG1 2.91Å; D80-T83 WeakPolarHBondContact O-CA 3.2Å; D80-T83 WeakPolarHBondContact O-CB 3.24Å; D80-T83 PolarHBondContact O-N 2.91Å; D80-T83 VanDerWaalsContact O-N 3.09Å; W81-T83 PolarHBondContact O-N 3.47Å; T83-K86 PolarHBondContact O-N 3.46Å; T83-K87 WeakPolarHBondContact O-CB 3.44Å; T83-K87 PolarHBondContact O-N 2.84Å; T83-R154 PolarHBondContact OG1-NH2 3.15Å
84L96.4Very high94.1Very high31 Ų3160 Ų6016%0.16232%0.316CS..Hα-helixtrans-58.6-48.3176.2174.765.1000111.6T41 V43 V63 W65 D80 W81 K87 K88T41-L84 HydrophobicContact CG2-CD2 4.25Å; V43-L84 HydrophobicContact CG2-CD2 3.82Å; V63-L84 HydrophobicContact CG2-CD2 4.29Å; W65-L84 HydrophobicContact CH2-CB 3.96Å; W65-L84 HydrophobicContact CH2-CD2 3.68Å; W65-L84 HydrophobicContact CH2-CG 4.46Å; W65-L84 HydrophobicContact CZ3-CD2 3.91Å; D80-L84 PolarHBondContact O-N 2.94Å; W81-L84 PolarHBondContact O-N 2.86Å; L84-K87 PolarHBondContact O-N 3.04Å; L84-K88 HydrophobicContact CD1-CG 3.93Å; L84-K88 WeakPolarHBondContact O-CB 3.21Å; L84-K88 WeakPolarHBondContact O-CG 3.49Å; L84-K88 PolarHBondContact O-N 3.43Å
85L95.8Very high94Very high0 Ų056.9 Ų56.90%030%0.295CS..Hα-helixtrans-63.9-44.9178.8-69.4-167.6000112.6F16 W81 K87 K88 F89 V97 A115 L155F16-L85 HydrophobicContact CE1-CD1 3.6Å; F16-L85 HydrophobicContact CE1-CD2 3.81Å; F16-L85 HydrophobicContact CE1-CG 4.34Å; F16-L85 HydrophobicContact CZ-CD1 3.81Å; W81-L85 HydrophobicContact CD2-CD1 4.04Å; W81-L85 HydrophobicContact CD2-CD2 4.47Å; W81-L85 HydrophobicContact CD2-CG 3.99Å; W81-L85 HydrophobicContact CE3-CD1 4.41Å; W81-L85 HydrophobicContact CE3-CD2 4.01Å; W81-L85 HydrophobicContact CE3-CG 3.97Å; W81-L85 HydrophobicContact CH2-CD1 3.98Å; W81-L85 HydrophobicContact CH2-CD2 3.67Å; W81-L85 HydrophobicContact CH2-CG 4.09Å; W81-L85 HydrophobicContact CZ2-CD1 3.55Å; W81-L85 HydrophobicContact CZ2-CD2 4.16Å; W81-L85 HydrophobicContact CZ2-CG 4.1Å; W81-L85 HydrophobicContact CZ3-CD1 4.39Å; W81-L85 HydrophobicContact CZ3-CD2 3.58Å; W81-L85 HydrophobicContact CZ3-CG 4.03Å; W81-L85 WeakPolarHBondContact O-CG 3.25Å; W81-L85 PolarHBondContact O-N 3.11Å; L85-K87 VanDerWaalsContact C-N 3.27Å; L85-K87 PolarHBondContact O-N 3.39Å; L85-K88 PolarHBondContact O-N 2.98Å; L85-F89 HydrophobicContact CB-CD2 4.14Å; L85-F89 HydrophobicContact CB-CE2 4.11Å; L85-F89 HydrophobicContact CD1-CE2 4.33Å; L85-F89 HydrophobicContact CD2-CD2 4.45Å; L85-F89 HydrophobicContact CD2-CE2 3.72Å; L85-F89 HydrophobicContact CD2-CZ 4.21Å; L85-F89 HydrophobicContact CG-CE2 4.26Å; L85-F89 WeakPolarHBondContact O-CB 3.37Å; L85-F89 VanDerWaalsContact O-CD2 3.27Å; L85-F89 WeakPolarHBondContact O-CD2 3.31Å; L85-F89 PolarHBondContact O-N 2.96Å; L85-V97 HydrophobicContact CD2-CB 4.12Å; L85-V97 HydrophobicContact CD2-CG1 3.98Å; L85-V97 HydrophobicContact CD2-CG2 3.94Å; L85-A115 HydrophobicContact CD1-CB 3.43Å; L85-A115 VanDerWaalsContact CD1-CB 3.43Å; L85-L155 HydrophobicContact CB-CD1 4.17Å; L85-L155 HydrophobicContact CB-CD2 4.07Å; L85-L155 HydrophobicContact CD1-CD1 3.82Å
86K94Very high94.2Very high92 Ų9250.9 Ų50.940%0.426%0.264SS..Hα-helixtrans-59.6-42.5177.5-173.9177.9178.3-178.50110.8L82 T83 Q90 L155L82-K86 VanDerWaalsContact O-CB 3.28Å; L82-K86 WeakPolarHBondContact O-CB 3.37Å; L82-K86 PolarHBondContact O-N 3.2Å; L82-K86 VanDerWaalsContact O-N 3.15Å; T83-K86 PolarHBondContact O-N 3.46Å; K86-Q90 WeakPolarHBondContact O-CB 3.47Å; K86-Q90 WeakPolarHBondContact O-CG 3.46Å; K86-Q90 PolarHBondContact O-N 3.38Å; K86-Q90 PolarHBondContact O-OE1 3.5Å; K86-L155 HydrophobicContact CB-CD2 3.81Å
87K94.3Very high94.3Very high118 Ų11844 Ų4451%0.51323%0.233SC..Hα-helixtrans-63.5-59.2176-177.1176.2-178.4-177.20111.3T83 L84 L85 F89 Q90 E91T83-K87 WeakPolarHBondContact O-CB 3.44Å; T83-K87 PolarHBondContact O-N 2.84Å; L84-K87 PolarHBondContact O-N 3.04Å; L85-K87 VanDerWaalsContact C-N 3.27Å; L85-K87 PolarHBondContact O-N 3.39Å; K87-F89 PolarHBondContact O-N 2.69Å; K87-Q90 PolarHBondContact O-N 3.41Å; K87-E91 WeakPolarHBondContact CE-OE1 3.36Å; K87-E91 WeakPolarHBondContact CE-OE2 3.37Å; K87-E91 VanDerWaalsContact CG-CD 3.48Å; K87-E91 HydrophobicContact CG-CG 4.26Å; K87-E91 VanDerWaalsContact CG-OE2 3.32Å; K87-E91 WeakPolarHBondContact CG-OE2 3.35Å; K87-E91 IonicContact NZ-OE1 3.19Å; K87-E91 WeakPolarHBondContact O-CG 3.39Å; K87-E91 PolarHBondContact O-N 2.97Å
88K94.3Very high94.4Very high35 Ų3543.3 Ų43.315%0.15223%0.23CC..Hα-helixtrans-59.9-45.9-174.3-74.9-76.6-178.1163.80113.1T41 T61 L84 L85 Q90 E91 D92T41-K88 WeakPolarHBondContact OG1-CE 3.46Å; T41-K88 PolarHBondContact OG1-NZ 2.66Å; T61-K88 PolarHBondContact OG1-NZ 3.15Å; L84-K88 HydrophobicContact CD1-CG 3.93Å; L84-K88 WeakPolarHBondContact O-CB 3.21Å; L84-K88 WeakPolarHBondContact O-CG 3.49Å; L84-K88 PolarHBondContact O-N 3.43Å; L85-K88 PolarHBondContact O-N 2.98Å; K88-Q90 PolarHBondContact O-N 3.36Å; K88-E91 PolarHBondContact O-N 3.49Å; K88-D92 PolarHBondContact O-N 3.11Å
89F93.3Very high94.4Very high5 Ų543.1 Ų43.12%0.02223%0.229CC..Hα-helixtrans-77.52.4178-57.9-51000114.6N13 M14 F16 L85 K87 V97 F157N13-F89 PolarHBondContact ND2-O 2.7Å; M14-F89 HydrophobicContact CB-CD2 3.94Å; M14-F89 HydrophobicContact CB-CE1 4.38Å; M14-F89 HydrophobicContact CB-CE2 3.54Å; M14-F89 HydrophobicContact CB-CZ 3.8Å; M14-F89 HydrophobicContact CG-CD2 3.53Å; M14-F89 HydrophobicContact CG-CE2 3.59Å; M14-F89 HydrophobicContact CG-CG 4.2Å; M14-F89 HydrophobicContact CG-CZ 4.33Å; M14-F89 HydrophobicContact SD-CD2 4.04Å; M14-F89 HydrophobicContact SD-CE2 3.96Å; F16-F89 HydrophobicContact CD1-CZ 4.35Å; F16-F89 AromaticContact CE1-CE2 3.79Å; F16-F89 HydrophobicContact CE1-CE2 3.79Å; F16-F89 AromaticContact CE1-CZ 3.81Å; F16-F89 HydrophobicContact CE1-CZ 3.81Å; F16-F89 AromaticContact CZ-CE2 3.77Å; F16-F89 HydrophobicContact CZ-CE2 3.77Å; F16-F89 HydrophobicContact CZ-CZ 4.05Å; L85-F89 HydrophobicContact CB-CD2 4.14Å; L85-F89 HydrophobicContact CB-CE2 4.11Å; L85-F89 HydrophobicContact CD1-CE2 4.33Å; L85-F89 HydrophobicContact CD2-CD2 4.45Å; L85-F89 HydrophobicContact CD2-CE2 3.72Å; L85-F89 HydrophobicContact CD2-CZ 4.21Å; L85-F89 HydrophobicContact CG-CE2 4.26Å; L85-F89 WeakPolarHBondContact O-CB 3.37Å; L85-F89 VanDerWaalsContact O-CD2 3.27Å; L85-F89 WeakPolarHBondContact O-CD2 3.31Å; L85-F89 PolarHBondContact O-N 2.96Å; K87-F89 PolarHBondContact O-N 2.69Å; F89-V97 HydrophobicContact CE1-CG2 3.95Å; F89-V97 HydrophobicContact CZ-CB 4.28Å; F89-V97 HydrophobicContact CZ-CG2 3.78Å; F89-F157 HydrophobicContact CB-CE1 4.26Å; F89-F157 HydrophobicContact CB-CZ 3.9Å; F89-F157 HydrophobicContact CD2-CZ 4.39Å
90Q91Very high94.2Very high119 Ų11940.9 Ų40.956%0.55622%0.217SC*.Hα-helixtrans-103.6-37.2166.9-72.7-174.6-56.300112.4K86 K87 K88 F157K86-Q90 WeakPolarHBondContact O-CB 3.47Å; K86-Q90 WeakPolarHBondContact O-CG 3.46Å; K86-Q90 PolarHBondContact O-N 3.38Å; K86-Q90 PolarHBondContact O-OE1 3.5Å; K87-Q90 PolarHBondContact O-N 3.41Å; K88-Q90 PolarHBondContact O-N 3.36Å; Q90-F157 HydrophobicContact CG-CD1 4.3Å; Q90-F157 HydrophobicContact CG-CE1 3.95Å
91E91.9Very high93.6Very high124 Ų12438.9 Ų38.958%0.57921%0.206SC*.Hα-helixtrans-76.6-33.8178-68.7178.1157.300112.9K87 K88K87-E91 WeakPolarHBondContact CE-OE1 3.36Å; K87-E91 WeakPolarHBondContact CE-OE2 3.37Å; K87-E91 VanDerWaalsContact CG-CD 3.48Å; K87-E91 HydrophobicContact CG-CG 4.26Å; K87-E91 VanDerWaalsContact CG-OE2 3.32Å; K87-E91 WeakPolarHBondContact CG-OE2 3.35Å; K87-E91 IonicContact NZ-OE1 3.19Å; K87-E91 WeakPolarHBondContact O-CG 3.39Å; K87-E91 PolarHBondContact O-N 2.97Å; K88-E91 PolarHBondContact O-N 3.49Å
92D90.9Very high92.7Very high62 Ų6243.2 Ų43.233%0.33223%0.232SC..SBendtrans-134.879.5-171.1-1734000110.4T40 K88 G94 C95T40-D92 WeakPolarHBondContact CG2-OD2 3.29Å; T40-D92 PolarHBondContact OG1-OD2 3.35Å; K88-D92 PolarHBondContact O-N 3.11Å; D92-G94 PolarHBondContact O-N 3.39Å; D92-C95 HydrophobicContact CB-CB 4.04Å; D92-C95 VanDerWaalsContact CG-CB 3.42Å; D92-C95 WeakPolarHBondContact O-CB 3.4Å; D92-C95 PolarHBondContact O-N 3.21Å; D92-C95 PolarHBondContact O-SG 3.48Å; D92-C95 WeakPolarHBondContact OD2-CB 3.41Å
93P89.5Confident91.6Very high107 Ų10745.6 Ų45.670%0.69525%0.252SS*.THydrogen-bonded Turntrans-65.6117.9-174.4-22.535.1000112.6
94G87.7Confident90.1Very high38 Ų3842.1 Ų42.139%0.39223%0.231SC..THydrogen-bonded Turntrans95.4-1.2-179.500000114.9R15 D92R15-G94 PolarHBondContact NH1-O 3.28Å; D92-G94 PolarHBondContact O-N 3.39Å
95C93.2Very high88.9Confident6 Ų644.2 Ų44.24%0.04124%0.242CC..  trans-58.3161.4168.971.90000112.8T40 D92T40-C95 HydrophobicContact CG2-CB 4.23Å; D92-C95 HydrophobicContact CB-CB 4.04Å; D92-C95 VanDerWaalsContact CG-CB 3.42Å; D92-C95 WeakPolarHBondContact O-CB 3.4Å; D92-C95 PolarHBondContact O-N 3.21Å; D92-C95 PolarHBondContact O-SG 3.48Å; D92-C95 WeakPolarHBondContact OD2-CB 3.41Å
96C96.8Very high88.2Confident0 Ų045 Ų450%025%0.249CC..EExtended strand (participates in β ladder)trans-110.3139.4172.7-165.70000111.3R15 G38 V39 T40R15-C96 HydrophobicContact CB-CB 4.21Å; R15-C96 WeakPolarHBondContact O-CA 3.35Å; G38-C96 WeakPolarHBondContact O-CB 3.43Å; G38-C96 PolarHBondContact O-N 2.91Å; V39-C96 VanDerWaalsContact CA-O 3.29Å; V39-C96 WeakPolarHBondContact CA-O 3.39Å; V39-C96 HydrophobicContact CB-CB 4.47Å; V39-C96 HydrophobicContact CG2-CB 3.84Å; T40-C96 PolarHBondContact N-O 3.12Å; T40-C96 VanDerWaalsContact N-O 3.14Å
97V97.5Very high88Confident0 Ų041.5 Ų41.50%023%0.234CC..EExtended strand (participates in β ladder)trans-108.8111.8171.1-179.40000108.8R15 F16 L17 T41 V43 W81 L85 F89R15-V97 PolarHBondContact O-N 2.77Å; F16-V97 VanDerWaalsContact CA-O 3.29Å; F16-V97 WeakPolarHBondContact CA-O 3.5Å; F16-V97 HydrophobicContact CD1-CB 4.39Å; L17-V97 PolarHBondContact N-O 3.14Å; L17-V97 VanDerWaalsContact N-O 3.11Å; T41-V97 WeakPolarHBondContact O-CA 3.23Å; V43-V97 HydrophobicContact CG2-CG1 4.29Å; W81-V97 HydrophobicContact CH2-CG1 4.12Å; W81-V97 HydrophobicContact CZ3-CG1 3.83Å; L85-V97 HydrophobicContact CD2-CB 4.12Å; L85-V97 HydrophobicContact CD2-CG1 3.98Å; L85-V97 HydrophobicContact CD2-CG2 3.94Å; F89-V97 HydrophobicContact CE1-CG2 3.95Å; F89-V97 HydrophobicContact CZ-CB 4.28Å; F89-V97 HydrophobicContact CZ-CG2 3.78Å
98A96.8Very high87.9Confident0 Ų035.9 Ų35.90%021%0.209CC..EExtended strand (participates in β ladder)trans-81.2145.217500000111L17 L34 V39 T41 V42 V43L17-A98 HydrophobicContact CB-CB 4.08Å; L17-A98 CarbonylContact O-C 3.3Å; L17-A98 WeakPolarHBondContact O-CA 3.43Å; L34-A98 HydrophobicContact CD2-CB 3.91Å; V39-A98 HydrophobicContact CG1-CB 3.67Å; V39-A98 HydrophobicContact CG2-CB 4.11Å; T41-A98 PolarHBondContact O-N 2.97Å; V42-A98 WeakPolarHBondContact CA-O 3.49Å; V42-A98 HydrophobicContact CG2-CB 4.08Å; V43-A98 PolarHBondContact N-O 2.92Å
99V95.4Very high87.9Confident0 Ų034.2 Ų34.20%020%0.202CC..EExtended strand (participates in β ladder)trans-135.2127.4175.4-1670000108.8L17 I18 T19 V43 V45 W81 A108 L111 V112L17-V99 PolarHBondContact O-N 3.44Å; I18-V99 WeakPolarHBondContact CA-O 3.45Å; T19-V99 PolarHBondContact N-O 3.22Å; V43-V99 HydrophobicContact CB-CG1 4.37Å; V43-V99 WeakPolarHBondContact O-CA 3.37Å; V45-V99 HydrophobicContact CG1-CG1 4.05Å; V45-V99 HydrophobicContact CG2-CG1 4.43Å; W81-V99 HydrophobicContact CH2-CG2 3.37Å; W81-V99 HydrophobicContact CZ2-CG2 4.22Å; W81-V99 HydrophobicContact CZ3-CG2 3.89Å; V99-A108 HydrophobicContact CB-CB 4.14Å; V99-A108 HydrophobicContact CG1-CB 3.65Å; V99-L111 HydrophobicContact CG1-CD1 4.36Å; V99-V112 HydrophobicContact CG2-CG2 4.31Å
100H91.8Very high88Confident1 Ų134 Ų341%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-135145177.783.484.4000113.9T19 N21 V43 R44 V45 Y50T19-H100 WeakPolarHBondContact OG1-CB 3.25Å; N21-H100 PolarHBondContact OD1-CE1 3.23Å; N21-H100 PolarHBondContact OD1-ND1 3.24Å; V43-H100 PolarHBondContact O-N 2.86Å; R44-H100 WeakPolarHBondContact CD-NE2 3.48Å; R44-H100 WeakPolarHBondContact CG-NE2 3.23Å; V45-H100 VanDerWaalsContact CG2-O 3.27Å; V45-H100 WeakPolarHBondContact CG2-O 3.42Å; V45-H100 PolarHBondContact N-O 3.32Å; Y50-H100 AromaticContact CE1-CE1 3.73Å; Y50-H100 AromaticContact CE1-NE2 3.67Å; Y50-H100 AromaticContact CZ-NE2 3.73Å; Y50-H100 PolarHBondContact OH-NE2 3.36Å
101C85.2Confident88.3Confident5 Ų528.3 Ų28.33%0.03418%0.175CC..  trans-111.6-165162.1-175.30000106.4N21 V45 C46 R107 A108N21-C101 WeakPolarHBondContact CB-O 3.03Å; N21-C101 PolarHBondContact N-O 3.09Å; V45-C101 HydrophobicContact CG2-CB 3.95Å; C46-C101 VanDerWaalsContact SG-C 3.51Å; C101-R107 HydrophobicContact CB-CB 4.28Å; C101-R107 PolarHBondContact SG-NE 3.22Å; C101-R107 VanDerWaalsContact SG-NE 3.36Å; C101-A108 HydrophobicContact CB-CB 4.38Å
102V78.9Confident88.5Confident91 Ų9122.4 Ų22.455%0.55215%0.147SC*.SBendtrans-58.5-71172.6-174.80000111N21 C46N21-V102 PolarHBondContact N-O 3.47Å; N21-V102 VanDerWaalsContact N-O 3.07Å; C46-V102 HydrophobicContact CB-CG2 4.15Å
103A72.8Confident88.7Confident50 Ų5019.5 Ų19.541%0.41313%0.131SC..SBendtrans-93.3-4.818000000114.2L105 R134A103-L105 VanDerWaalsContact C-N 3.27Å; A103-L105 HydrophobicContact CB-CD1 4.38Å; A103-L105 PolarHBondContact O-N 2.81Å; A103-R134 PolarHBondContact O-NH2 3.15Å
104G64.9Low89.1Confident0 Ų014.4 Ų14.40%010%0.098CC..SBendtrans65.716.618000000116.1P109 R134G104-P109 VanDerWaalsContact O-CD 3.24Å; G104-P109 WeakPolarHBondContact O-CD 3.4Å; G104-P109 VanDerWaalsContact O-CG 3.25Å; G104-P109 WeakPolarHBondContact O-CG 3.5Å; G104-R134 WeakPolarHBondContact O-CD 3.45Å; G104-R134 PolarHBondContact O-NE 2.94Å; G104-R134 VanDerWaalsContact O-NE 3.1Å
105L71.1Confident89.5Confident76 Ų7612.6 Ų12.640%0.3988%0.08SC..SBendtrans-97-29.7-176.3-70.1167.2000114.9A103 R134 A137 I138A103-L105 VanDerWaalsContact C-N 3.27Å; A103-L105 HydrophobicContact CB-CD1 4.38Å; A103-L105 PolarHBondContact O-N 2.81Å; L105-R134 HydrophobicContact CD2-CG 3.94Å; L105-A137 WeakPolarHBondContact O-CA 3.5Å; L105-I138 PolarHBondContact O-N 3.04Å
106G81.1Confident89.7Confident15 Ų1512.4 Ų12.416%0.1558%0.078CC..SBendtrans-102.1-94.5-178.400000113.1A108 P109 V110G106-A108 PolarHBondContact O-N 3.4Å; G106-P109 VanDerWaalsContact O-CD 3.25Å; G106-P109 WeakPolarHBondContact O-CD 3.24Å; G106-V110 PolarHBondContact O-N 3.49Å
107R89.8Confident89.6Confident20 Ų2013 Ų138%0.0758%0.081CC..Hα-helixtrans-49.6-48.3-170.5-68.2-179.9-93.3174.8-4.1115.1V45 F67 D69 C101 V110V45-R107 HydrophobicContact CB-CB 4.33Å; V45-R107 HydrophobicContact CG2-CB 3.63Å; V45-R107 WeakPolarHBondContact O-CD 3.48Å; V45-R107 PolarHBondContact O-NH1 3.15Å; F67-R107 HydrophobicContact CD2-CG 4.16Å; F67-R107 HydrophobicContact CE1-CB 3.98Å; F67-R107 HydrophobicContact CE1-CG 4.28Å; F67-R107 HydrophobicContact CE2-CB 4.05Å; F67-R107 HydrophobicContact CE2-CG 3.62Å; F67-R107 HydrophobicContact CZ-CB 3.56Å; F67-R107 HydrophobicContact CZ-CG 3.7Å; F67-R107 WeakPolarHBondContact O-CD 3.25Å; F67-R107 PolarHBondContact O-NH1 2.91Å; D69-R107 IonicContact OD1-CZ 2.96Å; D69-R107 IonicContact OD1-NE 2.77Å; D69-R107 PolarHBondContact OD1-NE 2.77Å; D69-R107 IonicContact OD1-NH2 3.81Å; D69-R107 PolarHBondContact OD1-NH2 2.78Å; C101-R107 HydrophobicContact CB-CB 4.28Å; C101-R107 PolarHBondContact SG-NE 3.22Å; C101-R107 VanDerWaalsContact SG-NE 3.36Å; R107-V110 PolarHBondContact O-N 2.88Å
108A92.9Very high89.6Confident0 Ų013 Ų130%08%0.081CC..Hα-helixtrans-65.7-49-176.800000113.8I18 V45 V99 C101 G106 V110 L111 V112I18-A108 HydrophobicContact CG2-CB 4.14Å; V45-A108 HydrophobicContact CG2-CB 4Å; V99-A108 HydrophobicContact CB-CB 4.14Å; V99-A108 HydrophobicContact CG1-CB 3.65Å; C101-A108 HydrophobicContact CB-CB 4.38Å; G106-A108 PolarHBondContact O-N 3.4Å; A108-V110 PolarHBondContact O-N 3.1Å; A108-L111 PolarHBondContact O-N 3.46Å; A108-V112 PolarHBondContact O-N 3.01Å
109P94.2Very high89.4Confident0 Ų013 Ų130%08%0.081CC..Hα-helixtrans-48.4-36.3167.8-35.937.9000116.1I18 G104 G106 V112 A113 I130 A137 I138I18-P109 HydrophobicContact CD1-CB 4.49Å; I18-P109 HydrophobicContact CD1-CG 4.13Å; I18-P109 HydrophobicContact CG2-CG 4.37Å; G104-P109 VanDerWaalsContact O-CD 3.24Å; G104-P109 WeakPolarHBondContact O-CD 3.4Å; G104-P109 VanDerWaalsContact O-CG 3.25Å; G104-P109 WeakPolarHBondContact O-CG 3.5Å; G106-P109 VanDerWaalsContact O-CD 3.25Å; G106-P109 WeakPolarHBondContact O-CD 3.24Å; P109-V112 PolarHBondContact O-N 2.84Å; P109-A113 WeakPolarHBondContact O-CB 3.43Å; P109-A113 PolarHBondContact O-N 2.93Å; P109-I130 HydrophobicContact CB-CG2 4.07Å; P109-A137 HydrophobicContact CB-CB 4.2Å; P109-A137 HydrophobicContact CG-CB 4.06Å; P109-I138 HydrophobicContact CB-CD1 4.41Å; P109-I138 HydrophobicContact CB-CG1 3.77Å
110V95.1Very high89.4Confident0 Ų015 Ų150%010%0.103CC..Hα-helixtrans-66.9-40.2179.7178.70000112P73 G106 R107 A108 V112 A113 L114 I138 Q142 Y145 L146P73-V110 HydrophobicContact CG-CG1 4.12Å; G106-V110 PolarHBondContact O-N 3.49Å; R107-V110 PolarHBondContact O-N 2.88Å; A108-V110 PolarHBondContact O-N 3.1Å; V110-V112 PolarHBondContact O-N 3.31Å; V110-A113 PolarHBondContact O-N 3.28Å; V110-L114 HydrophobicContact CG1-CD1 4.46Å; V110-L114 WeakPolarHBondContact O-CG 3.37Å; V110-L114 PolarHBondContact O-N 3.32Å; V110-I138 HydrophobicContact CG2-CG2 4.44Å; V110-Q142 HydrophobicContact CG2-CB 3.78Å; V110-Q142 HydrophobicContact CG2-CG 3.89Å; V110-Y145 HydrophobicContact CG1-CD1 4.23Å; V110-Y145 HydrophobicContact CG1-CE1 4.17Å; V110-L146 HydrophobicContact CG1-CD2 4.35Å
111L95.9Very high89.5Confident0 Ų016.6 Ų16.60%011%0.11CC..Hα-helixtrans-65.2-39.2176.3-65.1-162.2000112.1V45 F67 P73 L77 W81 V99 A108 L114 A115V45-L111 HydrophobicContact CG1-CD1 3.54Å; V45-L111 HydrophobicContact CG1-CG 4.4Å; F67-L111 HydrophobicContact CE1-CD2 4.48Å; P73-L111 HydrophobicContact CB-CD2 4Å; P73-L111 HydrophobicContact CG-CD2 4.13Å; L77-L111 HydrophobicContact CD2-CD1 3.97Å; L77-L111 HydrophobicContact CD2-CD2 3.76Å; W81-L111 HydrophobicContact CD2-CB 4.31Å; W81-L111 HydrophobicContact CD2-CD1 4.22Å; W81-L111 HydrophobicContact CE3-CD1 4.5Å; W81-L111 HydrophobicContact CG-CD1 4.39Å; W81-L111 HydrophobicContact CZ2-CB 3.88Å; W81-L111 PolarHBondContact NE1-O 3.26Å; V99-L111 HydrophobicContact CG1-CD1 4.36Å; A108-L111 PolarHBondContact O-N 3.46Å; L111-L114 HydrophobicContact CD2-CD1 4.28Å; L111-L114 PolarHBondContact O-N 3.03Å; L111-A115 PolarHBondContact O-N 3.13Å
112V96.3Very high90Very high0 Ų023 Ų230%014%0.137CC..Hα-helixtrans-66.6-40175.1-178.40000111L9 F16 I18 V99 A108 P109 V110 L114 A115 L116 I130L9-V112 HydrophobicContact CD1-CG1 3.87Å; F16-V112 HydrophobicContact CB-CG1 4.17Å; F16-V112 HydrophobicContact CB-CG2 4.13Å; F16-V112 HydrophobicContact CD1-CG2 4.41Å; F16-V112 HydrophobicContact CD2-CG1 3.87Å; F16-V112 HydrophobicContact CE2-CG1 4.47Å; F16-V112 HydrophobicContact CG-CG1 4.01Å; F16-V112 HydrophobicContact CG-CG2 4.24Å; I18-V112 HydrophobicContact CD1-CB 4.31Å; I18-V112 HydrophobicContact CD1-CG2 3.97Å; I18-V112 HydrophobicContact CG1-CG2 4.01Å; V99-V112 HydrophobicContact CG2-CG2 4.31Å; A108-V112 PolarHBondContact O-N 3.01Å; P109-V112 PolarHBondContact O-N 2.84Å; V110-V112 PolarHBondContact O-N 3.31Å; V112-L114 PolarHBondContact O-N 2.88Å; V112-A115 PolarHBondContact O-N 3.44Å; V112-L116 HydrophobicContact CG1-CD1 4.48Å; V112-L116 WeakPolarHBondContact O-CG 3.4Å; V112-L116 PolarHBondContact O-N 3.28Å; V112-I130 HydrophobicContact CB-CD1 4.42Å; V112-I130 HydrophobicContact CG1-CD1 4.37Å
113A96.6Very high90.8Very high0 Ų021.9 Ų21.90%012%0.124CC..Hα-helixtrans-59.5-45.2174.100000111.9P109 V110 A115 L116 I117 I130 I138 L146P109-A113 WeakPolarHBondContact O-CB 3.43Å; P109-A113 PolarHBondContact O-N 2.93Å; V110-A113 PolarHBondContact O-N 3.28Å; A113-A115 VanDerWaalsContact C-N 3.33Å; A113-A115 PolarHBondContact O-N 3.44Å; A113-L116 PolarHBondContact O-N 3.21Å; A113-I117 WeakPolarHBondContact O-CD1 3.25Å; A113-I117 VanDerWaalsContact O-CG1 3.26Å; A113-I117 WeakPolarHBondContact O-CG1 3.25Å; A113-I117 PolarHBondContact O-N 3.45Å; A113-I130 HydrophobicContact CB-CD1 3.66Å; A113-I138 HydrophobicContact CB-CD1 4.24Å; A113-L146 HydrophobicContact CB-CD1 3.74Å; A113-L146 HydrophobicContact CB-CD2 3.9Å
114L96.9Very high91.9Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-59.2-41.6174.7-72.2172.7000112.3P73 V78 V110 L111 V112 I117 E118 Y145 L146 Y149P73-L114 HydrophobicContact CG-CD1 3.83Å; V78-L114 HydrophobicContact CG1-CD1 4.03Å; V78-L114 HydrophobicContact CG2-CD1 3.72Å; V110-L114 HydrophobicContact CG1-CD1 4.46Å; V110-L114 WeakPolarHBondContact O-CG 3.37Å; V110-L114 PolarHBondContact O-N 3.32Å; L111-L114 HydrophobicContact CD2-CD1 4.28Å; L111-L114 PolarHBondContact O-N 3.03Å; V112-L114 PolarHBondContact O-N 2.88Å; L114-I117 PolarHBondContact O-N 3.19Å; L114-E118 WeakPolarHBondContact O-CB 3.33Å; L114-E118 WeakPolarHBondContact O-CG 3.42Å; L114-E118 PolarHBondContact O-N 3.04Å; L114-Y145 HydrophobicContact CD1-CE1 4.14Å; L114-Y145 HydrophobicContact CD2-CE1 4Å; L114-Y145 HydrophobicContact CG-CE1 4.39Å; L114-L146 HydrophobicContact CD2-CD2 3.89Å; L114-L146 HydrophobicContact CG-CD2 4.06Å; L114-Y149 HydrophobicContact CD2-CD1 3.84Å; L114-Y149 HydrophobicContact CD2-CD2 3.57Å; L114-Y149 HydrophobicContact CD2-CE1 3.82Å; L114-Y149 HydrophobicContact CD2-CE2 3.55Å; L114-Y149 HydrophobicContact CD2-CG 3.71Å
115A96.8Very high93.4Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-64.2-40.6177.800000112.6F16 W81 L85 L111 V112 A113 E118 S119 L155F16-A115 HydrophobicContact CE1-CB 4.19Å; F16-A115 HydrophobicContact CE2-CB 4.24Å; F16-A115 HydrophobicContact CZ-CB 3.6Å; W81-A115 HydrophobicContact CZ2-CB 4.29Å; L85-A115 HydrophobicContact CD1-CB 3.43Å; L85-A115 VanDerWaalsContact CD1-CB 3.43Å; L111-A115 PolarHBondContact O-N 3.13Å; V112-A115 PolarHBondContact O-N 3.44Å; A113-A115 VanDerWaalsContact C-N 3.33Å; A113-A115 PolarHBondContact O-N 3.44Å; A115-E118 PolarHBondContact O-N 3.07Å; A115-S119 PolarHBondContact O-N 3.48Å; A115-S119 VanDerWaalsContact O-N 3.15Å; A115-L155 HydrophobicContact CB-CD1 4.02Å
116L96.1Very high94.6Very high2 Ų223.4 Ų23.41%0.0112%0.123CC..Hα-helixtrans-61.7-47.2174-65.8171.4000111.1H11 V112 A113 E118 S119 G120 M121 A126 L129 I130H11-L116 HydrophobicContact CB-CD2 3.42Å; H11-L116 VanDerWaalsContact CB-CD2 3.42Å; V112-L116 HydrophobicContact CG1-CD1 4.48Å; V112-L116 WeakPolarHBondContact O-CG 3.4Å; V112-L116 PolarHBondContact O-N 3.28Å; A113-L116 PolarHBondContact O-N 3.21Å; L116-E118 PolarHBondContact O-N 2.92Å; L116-S119 PolarHBondContact O-N 3.26Å; L116-S119 VanDerWaalsContact O-N 3.12Å; L116-S119 PolarHBondContact O-OG 3.31Å; L116-G120 PolarHBondContact O-N 3.1Å; L116-M121 HydrophobicContact CB-CB 4.25Å; L116-M121 HydrophobicContact CB-SD 3.92Å; L116-M121 HydrophobicContact CD1-SD 4.13Å; L116-M121 HydrophobicContact CD2-CE 4.04Å; L116-M121 HydrophobicContact CD2-SD 4.35Å; L116-M121 HydrophobicContact CG-SD 4.35Å; L116-M121 VanDerWaalsContact O-CB 3.3Å; L116-M121 WeakPolarHBondContact O-CB 3.27Å; L116-M121 PolarHBondContact O-N 3.01Å; L116-A126 HydrophobicContact CB-CB 3.84Å; L116-A126 HydrophobicContact CD1-CB 3.9Å; L116-L129 HydrophobicContact CD1-CD2 4.13Å; L116-L129 HydrophobicContact CD2-CD2 4.43Å; L116-I130 HydrophobicContact CD1-CD1 4.2Å; L116-I130 HydrophobicContact CD1-CG1 4.31Å
117I96.5Very high95.3Very high12 Ų1223.4 Ų23.46%0.06212%0.119CC..Hα-helixtrans-63.5-38.9179.1-65160.3000111.9A113 L114 S119 G120 M121 A126 L146 Y149 S151A113-I117 WeakPolarHBondContact O-CD1 3.25Å; A113-I117 VanDerWaalsContact O-CG1 3.26Å; A113-I117 WeakPolarHBondContact O-CG1 3.25Å; A113-I117 PolarHBondContact O-N 3.45Å; L114-I117 PolarHBondContact O-N 3.19Å; I117-S119 PolarHBondContact O-N 3.34Å; I117-G120 PolarHBondContact O-N 2.92Å; I117-G120 VanDerWaalsContact O-N 3.07Å; I117-M121 WeakPolarHBondContact CA-O 3.36Å; I117-A126 HydrophobicContact CG1-CB 4.18Å; I117-L146 HydrophobicContact CD1-CD2 3.91Å; I117-Y149 HydrophobicContact CG2-CD1 3.92Å; I117-Y149 HydrophobicContact CG2-CE1 4.25Å; I117-S151 PolarHBondContact O-OG 2.91Å
118E96.1Very high95.5Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-70.8-17.5175.9-76.8-72.2122.100114L82 L114 A115 L116 G120 Y149 S151 K152 Q153 R154 L155 R156L82-E118 HydrophobicContact CD1-CG 3.63Å; L82-E118 HydrophobicContact CD2-CB 3.84Å; L82-E118 HydrophobicContact CD2-CG 3.62Å; L82-E118 HydrophobicContact CG-CG 4.25Å; L114-E118 WeakPolarHBondContact O-CB 3.33Å; L114-E118 WeakPolarHBondContact O-CG 3.42Å; L114-E118 PolarHBondContact O-N 3.04Å; A115-E118 PolarHBondContact O-N 3.07Å; L116-E118 PolarHBondContact O-N 2.92Å; E118-G120 VanDerWaalsContact C-N 3.34Å; E118-Y149 HydrophobicContact CG-CE1 4.28Å; E118-Y149 PolarHBondContact OE1-OH 2.91Å; E118-S151 WeakPolarHBondContact OE1-CA 3.23Å; E118-S151 PolarHBondContact OE1-OG 3.21Å; E118-K152 PolarHBondContact OE1-N 3.12Å; E118-Q153 CarbonylContact O-C 3.59Å; E118-Q153 VanDerWaalsContact O-C 3.3Å; E118-Q153 WeakPolarHBondContact O-CA 3.34Å; E118-Q153 PolarHBondContact OE1-N 2.76Å; E118-Q153 PolarHBondContact OE2-N 3.24Å; E118-R154 VanDerWaalsContact OE2-CB 3.25Å; E118-R154 WeakPolarHBondContact OE2-CB 3.42Å; E118-R154 WeakPolarHBondContact OE2-CG 3.48Å; E118-R154 PolarHBondContact OE2-N 3.44Å; E118-L155 HydrophobicContact CB-CB 4.11Å; E118-L155 HydrophobicContact CB-CD1 4.1Å; E118-L155 HydrophobicContact CB-CG 4.07Å; E118-L155 CarbonylContact O-C 3.55Å; E118-L155 PolarHBondContact O-N 3.26Å; E118-L155 VanDerWaalsContact O-N 3.12Å; E118-R156 PolarHBondContact O-N 2.61Å
119S94Very high95.6Very high0 Ų030.1 Ų30.10%015%0.153CC..THydrogen-bonded Turntrans-87-5170.380.70000113.6H11 K12 A115 L116 I117 L155H11-S119 PolarHBondContact CD2-OG 3.47Å; H11-S119 PolarHBondContact NE2-OG 3.13Å; K12-S119 PolarHBondContact NZ-O 2.79Å; A115-S119 PolarHBondContact O-N 3.48Å; A115-S119 VanDerWaalsContact O-N 3.15Å; L116-S119 PolarHBondContact O-N 3.26Å; L116-S119 VanDerWaalsContact O-N 3.12Å; L116-S119 PolarHBondContact O-OG 3.31Å; I117-S119 PolarHBondContact O-N 3.34Å; S119-L155 WeakPolarHBondContact CA-O 3.39Å
120G93.6Very high95.6Very high44 Ų4430.1 Ų30.145%0.45415%0.153SC..THydrogen-bonded Turntrans103.513.9176.800000115.9L116 I117 E118L116-G120 PolarHBondContact O-N 3.1Å; I117-G120 PolarHBondContact O-N 2.92Å; I117-G120 VanDerWaalsContact O-N 3.07Å; E118-G120 VanDerWaalsContact C-N 3.34Å
121M95Very high95.5Very high33 Ų3334.7 Ų34.716%0.16317%0.17CC..  trans-76.7152.4169.6-169.1174.6-70.200110.5H11 L116 I117 D125 A126 L129H11-M121 WeakPolarHBondContact CE1-CE 3.41Å; H11-M121 VanDerWaalsContact ND1-CE 3.32Å; H11-M121 WeakPolarHBondContact ND1-CE 3.32Å; L116-M121 HydrophobicContact CB-CB 4.25Å; L116-M121 HydrophobicContact CB-SD 3.92Å; L116-M121 HydrophobicContact CD1-SD 4.13Å; L116-M121 HydrophobicContact CD2-CE 4.04Å; L116-M121 HydrophobicContact CD2-SD 4.35Å; L116-M121 HydrophobicContact CG-SD 4.35Å; L116-M121 VanDerWaalsContact O-CB 3.3Å; L116-M121 WeakPolarHBondContact O-CB 3.27Å; L116-M121 PolarHBondContact O-N 3.01Å; I117-M121 WeakPolarHBondContact CA-O 3.36Å; M121-D125 HydrophobicContact CG-CB 3.65Å; M121-D125 HydrophobicContact SD-CB 4.08Å; M121-A126 HydrophobicContact CG-CB 4.31Å; M121-A126 VanDerWaalsContact SD-CA 3.51Å; M121-A126 HydrophobicContact SD-CB 3.82Å; M121-L129 HydrophobicContact CE-CD2 4.05Å; M121-L129 HydrophobicContact SD-CD2 4.39Å
122K95.8Very high95.4Very high139 Ų13941 Ų4160%0.60420%0.199SC*.  trans-73.5160.3169.1-54.5-179.4176.2177.60110.8E124 D125 A126K122-E124 VanDerWaalsContact CB-OE2 3.28Å; K122-E124 WeakPolarHBondContact CB-OE2 3.46Å; K122-D125 HydrophobicContact CB-CB 4.45Å; K122-D125 VanDerWaalsContact CB-OD2 3.31Å; K122-D125 WeakPolarHBondContact CB-OD2 3.3Å; K122-D125 WeakPolarHBondContact CG-OD2 3.46Å; K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 2.96Å; K122-A126 VanDerWaalsContact O-N 3.08Å
123Y96.2Very high95.1Very high68 Ų6847.2 Ų47.227%0.26723%0.226SC..Hα-helixtrans-71-34.5-178.778.4-80.9000111.3A126 I127 L146 E147Y123-A126 PolarHBondContact O-N 2.82Å; Y123-I127 HydrophobicContact CD2-CD1 3.73Å; Y123-I127 HydrophobicContact CE2-CD1 4.37Å; Y123-I127 WeakPolarHBondContact O-CB 3.2Å; Y123-I127 VanDerWaalsContact O-CD1 3.25Å; Y123-I127 WeakPolarHBondContact O-CD1 3.36Å; Y123-I127 WeakPolarHBondContact O-CG1 3.16Å; Y123-I127 PolarHBondContact O-N 2.88Å; Y123-L146 HydrophobicContact CD2-CB 4.38Å; Y123-E147 HydrophobicContact CD2-CB 4.14Å; Y123-E147 HydrophobicContact CE2-CB 3.68Å; Y123-E147 HydrophobicContact CE2-CG 4.2Å
124E96Very high94.7Very high88 Ų8847.9 Ų47.941%0.41123%0.229SC..Hα-helixtrans-59.9-51.9174-54.791.9151.500111.3K122 A126 I127 Q128K122-E124 VanDerWaalsContact CB-OE2 3.28Å; K122-E124 WeakPolarHBondContact CB-OE2 3.46Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.84Å; E124-I127 PolarHBondContact O-N 2.87Å; E124-Q128 WeakPolarHBondContact O-CB 3.36Å; E124-Q128 PolarHBondContact O-N 3.46Å
125D96Very high94.2Very high71 Ų7159.1 Ų59.138%0.3827%0.271SS..Hα-helixtrans-59.5-42.8179-54.8-29.7000111M121 K122 Q128 L129M121-D125 HydrophobicContact CG-CB 3.65Å; M121-D125 HydrophobicContact SD-CB 4.08Å; K122-D125 HydrophobicContact CB-CB 4.45Å; K122-D125 VanDerWaalsContact CB-OD2 3.31Å; K122-D125 WeakPolarHBondContact CB-OD2 3.3Å; K122-D125 WeakPolarHBondContact CG-OD2 3.46Å; D125-Q128 PolarHBondContact O-N 3.41Å; D125-L129 WeakPolarHBondContact O-CB 3.44Å; D125-L129 PolarHBondContact O-N 3.06Å
126A96.1Very high93.7Very high0 Ų062 Ų620%030%0.301CS..Hα-helixtrans-64.4-43.5178.300000112.1L116 I117 M121 K122 Y123 E124 Q128 I130L116-A126 HydrophobicContact CB-CB 3.84Å; L116-A126 HydrophobicContact CD1-CB 3.9Å; I117-A126 HydrophobicContact CG1-CB 4.18Å; M121-A126 HydrophobicContact CG-CB 4.31Å; M121-A126 VanDerWaalsContact SD-CA 3.51Å; M121-A126 HydrophobicContact SD-CB 3.82Å; K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 2.96Å; K122-A126 VanDerWaalsContact O-N 3.08Å; Y123-A126 PolarHBondContact O-N 2.82Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.84Å; A126-Q128 VanDerWaalsContact C-N 3.35Å; A126-I130 WeakPolarHBondContact O-CB 3.38Å; A126-I130 WeakPolarHBondContact O-CD1 3.46Å; A126-I130 VanDerWaalsContact O-CG1 3.26Å; A126-I130 WeakPolarHBondContact O-CG1 3.43Å; A126-I130 PolarHBondContact O-N 3.39Å; A126-I130 VanDerWaalsContact O-N 3.12Å
127I94.7Very high93.3Very high15 Ų1561.9 Ų61.98%0.07730%0.3CS..Hα-helixtrans-63.4-41.9174.6-70.4157.9000110.4Y123 E124 R131 I138 L143 L146Y123-I127 HydrophobicContact CD2-CD1 3.73Å; Y123-I127 HydrophobicContact CE2-CD1 4.37Å; Y123-I127 WeakPolarHBondContact O-CB 3.2Å; Y123-I127 VanDerWaalsContact O-CD1 3.25Å; Y123-I127 WeakPolarHBondContact O-CD1 3.36Å; Y123-I127 WeakPolarHBondContact O-CG1 3.16Å; Y123-I127 PolarHBondContact O-N 2.88Å; E124-I127 PolarHBondContact O-N 2.87Å; I127-R131 HydrophobicContact CG2-CG 4.44Å; I127-R131 VanDerWaalsContact O-CB 3.3Å; I127-R131 WeakPolarHBondContact O-CB 3.49Å; I127-R131 VanDerWaalsContact O-CG 3.29Å; I127-R131 WeakPolarHBondContact O-CG 3.42Å; I127-R131 PolarHBondContact O-N 3.34Å; I127-I138 HydrophobicContact CG1-CD1 3.99Å; I127-L143 HydrophobicContact CD1-CD2 3.63Å; I127-L143 HydrophobicContact CG1-CD2 4.07Å; I127-L143 HydrophobicContact CG2-CD2 3.8Å; I127-L146 HydrophobicContact CD1-CB 4.34Å; I127-L146 HydrophobicContact CD1-CD1 4.09Å; I127-L146 HydrophobicContact CG1-CD1 3.94Å
128Q95.1Very high93Very high118 Ų11861.5 Ų61.555%0.55130%0.298SS*.Hα-helixtrans-65.1-48.3179.4-170.1178.710.900111.6E124 D125 A126 I130 R131 Q132E124-Q128 WeakPolarHBondContact O-CB 3.36Å; E124-Q128 PolarHBondContact O-N 3.46Å; D125-Q128 PolarHBondContact O-N 3.41Å; A126-Q128 VanDerWaalsContact C-N 3.35Å; Q128-I130 VanDerWaalsContact C-N 3.33Å; Q128-I130 PolarHBondContact O-N 3.33Å; Q128-R131 PolarHBondContact O-N 3.02Å; Q128-R131 VanDerWaalsContact O-N 3.16Å; Q128-Q132 WeakPolarHBondContact O-CG 3.27Å; Q128-Q132 PolarHBondContact O-N 3.35Å
129L94.6Very high92.7Very high43 Ų4364.5 Ų64.523%0.22531%0.314CS..Hα-helixtrans-58.5-43.4178.2-177.964.7000111.9L9 L116 M121 D125L9-L129 HydrophobicContact CD2-CD2 4.48Å; L9-L129 HydrophobicContact CD2-CG 3.99Å; L116-L129 HydrophobicContact CD1-CD2 4.13Å; L116-L129 HydrophobicContact CD2-CD2 4.43Å; M121-L129 HydrophobicContact CE-CD2 4.05Å; M121-L129 HydrophobicContact SD-CD2 4.39Å; D125-L129 WeakPolarHBondContact O-CB 3.44Å; D125-L129 PolarHBondContact O-N 3.06Å
130I94.3Very high92.4Very high0 Ų068.8 Ų68.80%034%0.344CS..Hα-helixtrans-64.9-44.8175.6-70.6167.2000110.8L9 P109 V112 A113 L116 A126 Q128 K133 R134 A137 I138L9-I130 HydrophobicContact CD1-CG1 3.84Å; P109-I130 HydrophobicContact CB-CG2 4.07Å; V112-I130 HydrophobicContact CB-CD1 4.42Å; V112-I130 HydrophobicContact CG1-CD1 4.37Å; A113-I130 HydrophobicContact CB-CD1 3.66Å; L116-I130 HydrophobicContact CD1-CD1 4.2Å; L116-I130 HydrophobicContact CD1-CG1 4.31Å; A126-I130 WeakPolarHBondContact O-CB 3.38Å; A126-I130 WeakPolarHBondContact O-CD1 3.46Å; A126-I130 VanDerWaalsContact O-CG1 3.26Å; A126-I130 WeakPolarHBondContact O-CG1 3.43Å; A126-I130 PolarHBondContact O-N 3.39Å; A126-I130 VanDerWaalsContact O-N 3.12Å; Q128-I130 VanDerWaalsContact C-N 3.33Å; Q128-I130 PolarHBondContact O-N 3.33Å; I130-K133 PolarHBondContact O-N 2.81Å; I130-R134 PolarHBondContact O-N 2.78Å; I130-A137 HydrophobicContact CG2-CB 3.92Å; I130-I138 HydrophobicContact CD1-CD1 4.2Å; I130-I138 HydrophobicContact CG2-CD1 4.28Å
131R93.8Very high92.3Very high95 Ų9574.3 Ų74.336%0.35836%0.356SS..Hα-helixtrans-71.4-27.9-178.3-76.4177.1169.5-178.4-6.6114I127 Q128 K133 R134 R135 A137 I138I127-R131 HydrophobicContact CG2-CG 4.44Å; I127-R131 VanDerWaalsContact O-CB 3.3Å; I127-R131 WeakPolarHBondContact O-CB 3.49Å; I127-R131 VanDerWaalsContact O-CG 3.29Å; I127-R131 WeakPolarHBondContact O-CG 3.42Å; I127-R131 PolarHBondContact O-N 3.34Å; Q128-R131 PolarHBondContact O-N 3.02Å; Q128-R131 VanDerWaalsContact O-N 3.16Å; R131-K133 VanDerWaalsContact C-N 3.3Å; R131-R134 CarbonylContact O-C 3.6Å; R131-R135 WeakPolarHBondContact O-CA 3.38Å; R131-R135 PolarHBondContact O-N 2.91Å; R131-A137 PolarHBondContact NE-O 3.1Å; R131-A137 PolarHBondContact NH2-O 2.88Å; R131-I138 PolarHBondContact NH2-O 3.38Å
132Q93Very high92.1Very high134 Ų13472.7 Ų72.763%0.62635%0.348SS*.Hα-helixtrans-59.1-41.7169.3-76.9171.4-0.400111.4Q128Q128-Q132 WeakPolarHBondContact O-CG 3.27Å; Q128-Q132 PolarHBondContact O-N 3.35Å
133K89.9Confident92Very high130 Ų13068.1 Ų68.157%0.56533%0.33SS*.Hα-helixtrans-84.6-30.4178.2-61.4-69.1-169.71720113.5V7 L9 I130 R131V7-K133 HydrophobicContact CG1-CB 3.53Å; V7-K133 HydrophobicContact CG1-CG 4.38Å; L9-K133 HydrophobicContact CD2-CB 4.37Å; L9-K133 HydrophobicContact CD2-CG 3.77Å; L9-K133 HydrophobicContact CG-CG 4.49Å; I130-K133 PolarHBondContact O-N 2.81Å; R131-K133 VanDerWaalsContact C-N 3.3Å
134R87.5Confident91.9Very high14 Ų1467.7 Ų67.75%0.05333%0.334CS..SBendtrans-138.484.4-177.6-155.4179.7-163.4119.9-11.3111.2V7 I18 T19 A103 G104 L105 I130 R131 G136 A137V7-R134 HydrophobicContact CG2-CB 4.24Å; V7-R134 HydrophobicContact CG2-CG 4.35Å; I18-R134 PolarHBondContact O-NH1 2.68Å; T19-R134 PolarHBondContact O-NH2 2.93Å; A103-R134 PolarHBondContact O-NH2 3.15Å; G104-R134 WeakPolarHBondContact O-CD 3.45Å; G104-R134 PolarHBondContact O-NE 2.94Å; G104-R134 VanDerWaalsContact O-NE 3.1Å; L105-R134 HydrophobicContact CD2-CG 3.94Å; I130-R134 PolarHBondContact O-N 2.78Å; R131-R134 CarbonylContact O-C 3.6Å; R134-G136 PolarHBondContact O-N 2.64Å; R134-A137 HydrophobicContact CB-CB 4.18Å; R134-A137 HydrophobicContact CG-CB 4.44Å; R134-A137 VanDerWaalsContact O-CB 3.24Å; R134-A137 WeakPolarHBondContact O-CB 3.42Å; R134-A137 PolarHBondContact O-N 3.16Å; R134-A137 VanDerWaalsContact O-N 3.08Å
135R87.5Confident91.9Very high236 Ų23665.3 Ų65.389%0.89132%0.322SS*.THydrogen-bonded Turntrans-53.2130.6178.7-170.3177.173.8178.53.4110.8R131R131-R135 WeakPolarHBondContact O-CA 3.38Å; R131-R135 PolarHBondContact O-N 2.91Å
136G85.6Confident91.8Very high60 Ų6062 Ų6262%0.61930%0.304SS*.THydrogen-bonded Turntrans83.82.8-178.700000115.5R134R134-G136 PolarHBondContact O-N 2.64Å
137A89.1Confident91.8Very high0 Ų066.2 Ų66.20%032%0.324CS..  trans-66.4150.4171.100000112.5L105 P109 I130 R131 R134L105-A137 WeakPolarHBondContact O-CA 3.5Å; P109-A137 HydrophobicContact CB-CB 4.2Å; P109-A137 HydrophobicContact CG-CB 4.06Å; I130-A137 HydrophobicContact CG2-CB 3.92Å; R131-A137 PolarHBondContact NE-O 3.1Å; R131-A137 PolarHBondContact NH2-O 2.88Å; R134-A137 HydrophobicContact CB-CB 4.18Å; R134-A137 HydrophobicContact CG-CB 4.44Å; R134-A137 VanDerWaalsContact O-CB 3.24Å; R134-A137 WeakPolarHBondContact O-CB 3.42Å; R134-A137 PolarHBondContact O-N 3.16Å; R134-A137 VanDerWaalsContact O-N 3.08Å
138I88.8Confident91.9Very high4 Ų472.4 Ų72.42%0.02135%0.35CS..SBendtrans65.8115180-49.5172.8000112.7L105 P109 V110 A113 I127 I130 R131 Q142 L143 L146L105-I138 PolarHBondContact O-N 3.04Å; P109-I138 HydrophobicContact CB-CD1 4.41Å; P109-I138 HydrophobicContact CB-CG1 3.77Å; V110-I138 HydrophobicContact CG2-CG2 4.44Å; A113-I138 HydrophobicContact CB-CD1 4.24Å; I127-I138 HydrophobicContact CG1-CD1 3.99Å; I130-I138 HydrophobicContact CD1-CD1 4.2Å; I130-I138 HydrophobicContact CG2-CD1 4.28Å; R131-I138 PolarHBondContact NH2-O 3.38Å; I138-Q142 HydrophobicContact CG2-CB 3.65Å; I138-L143 HydrophobicContact CB-CD2 4.32Å; I138-L143 HydrophobicContact CG2-CD2 3.71Å; I138-L143 HydrophobicContact CG2-CG 4.13Å; I138-L146 HydrophobicContact CD1-CD1 4.04Å; I138-L146 HydrophobicContact CG2-CD1 4.07Å
139N89.3Confident91.9Very high62 Ų6268.3 Ų68.333%0.33233%0.33SS..  trans-85.5169.6179.880.935.8000113G70 K141 Q142 L143G70-N139 VanDerWaalsContact CA-ND2 3.27Å; G70-N139 WeakPolarHBondContact CA-ND2 3.26Å; N139-K141 PolarHBondContact O-N 3.05Å; N139-K141 WeakPolarHBondContact OD1-CB 3.31Å; N139-K141 PolarHBondContact OD1-N 3Å; N139-Q142 CarbonylContact O-C 3.39Å; N139-Q142 WeakPolarHBondContact O-CA 3.03Å; N139-Q142 WeakPolarHBondContact O-CB 3.43Å; N139-Q142 PolarHBondContact O-N 2.93Å; N139-Q142 PolarHBondContact OD1-N 3.3Å; N139-L143 WeakPolarHBondContact O-CG 3.38Å; N139-L143 PolarHBondContact O-N 2.78Å
140S89.6Confident91.9Very high91 Ų9175.1 Ų75.164%0.63635%0.352SS*.Hα-helixtrans-57.4-39.6-176-45.70000115Q142 L143 T144S140-Q142 VanDerWaalsContact C-N 3.27Å; S140-Q142 PolarHBondContact O-N 3.33Å; S140-L143 PolarHBondContact O-N 3.19Å; S140-T144 PolarHBondContact O-N 3.04Å; S140-T144 VanDerWaalsContact O-N 3.13Å; S140-T144 PolarHBondContact O-OG1 3.41Å
141K90.7Very high91.8Very high159 Ų15977.2 Ų77.269%0.69137%0.367SS*.Hα-helixtrans-62.7-38.7175.4-62.6-176.4177.8-179.50111N139 Y145N139-K141 PolarHBondContact O-N 3.05Å; N139-K141 WeakPolarHBondContact OD1-CB 3.31Å; N139-K141 PolarHBondContact OD1-N 3Å; K141-Y145 PolarHBondContact O-N 2.79Å; K141-Y145 VanDerWaalsContact O-N 3.13Å
142Q91.3Very high91.7Very high0 Ų078.4 Ų78.40%038%0.375CS..Hα-helixtrans-75-30.9179.5-64.7173.3-31.200112.4A71 V110 I138 N139 S140 Y145 L146A71-Q142 PolarHBondContact O-NE2 3.02Å; V110-Q142 HydrophobicContact CG2-CB 3.78Å; V110-Q142 HydrophobicContact CG2-CG 3.89Å; I138-Q142 HydrophobicContact CG2-CB 3.65Å; N139-Q142 CarbonylContact O-C 3.39Å; N139-Q142 WeakPolarHBondContact O-CA 3.03Å; N139-Q142 WeakPolarHBondContact O-CB 3.43Å; N139-Q142 PolarHBondContact O-N 2.93Å; N139-Q142 PolarHBondContact OD1-N 3.3Å; S140-Q142 VanDerWaalsContact C-N 3.27Å; S140-Q142 PolarHBondContact O-N 3.33Å; Q142-Y145 PolarHBondContact O-N 3.02Å; Q142-L146 WeakPolarHBondContact O-CG 3.42Å; Q142-L146 PolarHBondContact O-N 3.33Å
143L92.8Very high91.6Very high42 Ų4276.5 Ų76.522%0.2237%0.366CS..Hα-helixtrans-61.8-52.2169.6-62.6173.7000110.8I127 I138 N139 S140 Y145 L146 E147I127-L143 HydrophobicContact CD1-CD2 3.63Å; I127-L143 HydrophobicContact CG1-CD2 4.07Å; I127-L143 HydrophobicContact CG2-CD2 3.8Å; I138-L143 HydrophobicContact CB-CD2 4.32Å; I138-L143 HydrophobicContact CG2-CD2 3.71Å; I138-L143 HydrophobicContact CG2-CG 4.13Å; N139-L143 WeakPolarHBondContact O-CG 3.38Å; N139-L143 PolarHBondContact O-N 2.78Å; S140-L143 PolarHBondContact O-N 3.19Å; L143-Y145 PolarHBondContact O-N 3.11Å; L143-L146 PolarHBondContact O-N 3.09Å; L143-E147 WeakPolarHBondContact O-CB 3.46Å; L143-E147 PolarHBondContact O-N 3.22Å
144T94.4Very high91.5Very high59 Ų5973.7 Ų73.736%0.36235%0.352SS..Hα-helixtrans-62.7-26.6178.6-57.60000113S140 K148S140-T144 PolarHBondContact O-N 3.04Å; S140-T144 VanDerWaalsContact O-N 3.13Å; S140-T144 PolarHBondContact O-OG1 3.41Å; T144-K148 HydrophobicContact CG2-CD 4.09Å; T144-K148 WeakPolarHBondContact O-CB 3.37Å; T144-K148 WeakPolarHBondContact O-CD 3.44Å; T144-K148 VanDerWaalsContact O-CG 3.27Å; T144-K148 WeakPolarHBondContact O-CG 3.31Å; T144-K148 PolarHBondContact O-N 3.31Å
145Y95.2Very high91.6Very high39 Ų3973 Ų7315%0.15335%0.349CS..Hα-helixtrans-69.3-47.5169.5168.8-100.8000112.2P72 P73 V110 L114 K141 Q142 L143 K148 Y149P72-Y145 HydrophobicContact CB-CD1 4.14Å; P72-Y145 HydrophobicContact CB-CD2 3.34Å; P72-Y145 HydrophobicContact CB-CE1 4.47Å; P72-Y145 HydrophobicContact CB-CE2 3.72Å; P72-Y145 HydrophobicContact CB-CG 3.57Å; P72-Y145 HydrophobicContact CG-CD2 4.34Å; P73-Y145 HydrophobicContact CG-CE1 3.95Å; V110-Y145 HydrophobicContact CG1-CD1 4.23Å; V110-Y145 HydrophobicContact CG1-CE1 4.17Å; L114-Y145 HydrophobicContact CD1-CE1 4.14Å; L114-Y145 HydrophobicContact CD2-CE1 4Å; L114-Y145 HydrophobicContact CG-CE1 4.39Å; K141-Y145 PolarHBondContact O-N 2.79Å; K141-Y145 VanDerWaalsContact O-N 3.13Å; Q142-Y145 PolarHBondContact O-N 3.02Å; L143-Y145 PolarHBondContact O-N 3.11Å; Y145-K148 PolarHBondContact O-N 3.18Å; Y145-Y149 PolarHBondContact O-N 3.07Å
146L95.4Very high91.5Very high1 Ų169 Ų691%0.00533%0.334CS..Hα-helixtrans-66.7-36.2-179.9-68.9169.3000112.6V110 A113 L114 I117 Y123 I127 I138 Q142 L143 Y149V110-L146 HydrophobicContact CG1-CD2 4.35Å; A113-L146 HydrophobicContact CB-CD1 3.74Å; A113-L146 HydrophobicContact CB-CD2 3.9Å; L114-L146 HydrophobicContact CD2-CD2 3.89Å; L114-L146 HydrophobicContact CG-CD2 4.06Å; I117-L146 HydrophobicContact CD1-CD2 3.91Å; Y123-L146 HydrophobicContact CD2-CB 4.38Å; I127-L146 HydrophobicContact CD1-CB 4.34Å; I127-L146 HydrophobicContact CD1-CD1 4.09Å; I127-L146 HydrophobicContact CG1-CD1 3.94Å; I138-L146 HydrophobicContact CD1-CD1 4.04Å; I138-L146 HydrophobicContact CG2-CD1 4.07Å; Q142-L146 WeakPolarHBondContact O-CG 3.42Å; Q142-L146 PolarHBondContact O-N 3.33Å; L143-L146 PolarHBondContact O-N 3.09Å; L146-Y149 WeakPolarHBondContact O-CB 3.27Å; L146-Y149 PolarHBondContact O-N 3.45Å
147E95.8Very high91Very high89 Ų8968 Ų6842%0.41631%0.313SS..Hα-helixtrans-59.2-42.5171.5176.2-168.6-16600112.5Y123 L143 R150Y123-E147 HydrophobicContact CD2-CB 4.14Å; Y123-E147 HydrophobicContact CE2-CB 3.68Å; Y123-E147 HydrophobicContact CE2-CG 4.2Å; L143-E147 WeakPolarHBondContact O-CB 3.46Å; L143-E147 PolarHBondContact O-N 3.22Å; E147-R150 PolarHBondContact O-NH1 3.36Å
148K95.8Very high89.9Confident145 Ų14577.5 Ų77.563%0.6335%0.354SS*.Hα-helixtrans-83.9-13.9179.8-69.1176-177.1179.20113.2T144 Y145 R150T144-K148 HydrophobicContact CG2-CD 4.09Å; T144-K148 WeakPolarHBondContact O-CB 3.37Å; T144-K148 WeakPolarHBondContact O-CD 3.44Å; T144-K148 VanDerWaalsContact O-CG 3.27Å; T144-K148 WeakPolarHBondContact O-CG 3.31Å; T144-K148 PolarHBondContact O-N 3.31Å; Y145-K148 PolarHBondContact O-N 3.18Å; K148-R150 PolarHBondContact O-NH1 2.91Å
149Y96.4Very high88.3Confident32 Ų3282.3 Ų82.313%0.12538%0.38CS..  trans-60.5144.8177-168.7-102.8000111.1V78 L114 I117 E118 Y145 L146V78-Y149 HydrophobicContact CG1-CE2 4.24Å; L114-Y149 HydrophobicContact CD2-CD1 3.84Å; L114-Y149 HydrophobicContact CD2-CD2 3.57Å; L114-Y149 HydrophobicContact CD2-CE1 3.82Å; L114-Y149 HydrophobicContact CD2-CE2 3.55Å; L114-Y149 HydrophobicContact CD2-CG 3.71Å; I117-Y149 HydrophobicContact CG2-CD1 3.92Å; I117-Y149 HydrophobicContact CG2-CE1 4.25Å; E118-Y149 HydrophobicContact CG-CE1 4.28Å; E118-Y149 PolarHBondContact OE1-OH 2.91Å; Y145-Y149 PolarHBondContact O-N 3.07Å; L146-Y149 WeakPolarHBondContact O-CB 3.27Å; L146-Y149 PolarHBondContact O-N 3.45Å
150R93.7Very high86.6Confident185 Ų18584.7 Ų84.770%0.69840%0.399SS*.  trans-126.8114.4178.6-66.5-64.5175-98.87.1108.8E147 K148 K152E147-R150 PolarHBondContact O-NH1 3.36Å; K148-R150 PolarHBondContact O-NH1 2.91Å; R150-K152 PolarHBondContact O-N 3.05Å
151S92.8Very high84.7Confident45 Ų4588.7 Ų88.732%0.31541%0.407SS..  trans-66123.8-171.4-175.20000111.2I117 E118 Q153I117-S151 PolarHBondContact O-OG 2.91Å; E118-S151 WeakPolarHBondContact OE1-CA 3.23Å; E118-S151 PolarHBondContact OE1-OG 3.21Å; S151-Q153 PolarHBondContact OG-N 2.76Å
152K91.9Very high82.7Confident119 Ų11986.3 Ų86.352%0.51741%0.406SS..  trans-80.2-4167.2-60.9-179.5-170.5-179.10111.6D79 E118 R150 R154D79-K152 IonicContact OD1-NZ 2.76Å; D79-K152 PolarHBondContact OD1-NZ 3.31Å; D79-K152 IonicContact OD2-NZ 3.75Å; D79-K152 PolarHBondContact OD2-NZ 2.85Å; E118-K152 PolarHBondContact OE1-N 3.12Å; R150-K152 PolarHBondContact O-N 3.05Å; K152-R154 HydrophobicContact CB-CG 3.73Å; K152-R154 PolarHBondContact O-N 2.83Å
153Q89.3Confident80.5Confident95 Ų9594.3 Ų94.344%0.44444%0.443SS..  trans56.128178.8-56.6-175.116.800114.8E118 S151 L155 R156E118-Q153 CarbonylContact O-C 3.59Å; E118-Q153 VanDerWaalsContact O-C 3.3Å; E118-Q153 WeakPolarHBondContact O-CA 3.34Å; E118-Q153 PolarHBondContact OE1-N 2.76Å; E118-Q153 PolarHBondContact OE2-N 3.24Å; S151-Q153 PolarHBondContact OG-N 2.76Å; Q153-L155 PolarHBondContact O-N 3.06Å; Q153-L155 VanDerWaalsContact O-N 3.14Å; Q153-R156 HydrophobicContact CB-CG 4.28Å; Q153-R156 PolarHBondContact O-N 3.06Å; Q153-R156 VanDerWaalsContact O-N 3.15Å; Q153-R156 VanDerWaalsContact OE1-CD 3.32Å
154R89.3Confident78.3Confident70 Ų70101.2 Ų101.226%0.26447%0.471SS..THydrogen-bonded Turntrans-65.5-19-172.5-61.6178.969.1-157-13.7113.6D79 T83 E118 K152D79-R154 PolarHBondContact O-NH1 2.86Å; D79-R154 IonicContact OD1-CZ 2.7Å; D79-R154 IonicContact OD1-NH1 3.03Å; D79-R154 PolarHBondContact OD1-NH1 2.98Å; T83-R154 PolarHBondContact OG1-NH2 3.15Å; E118-R154 VanDerWaalsContact OE2-CB 3.25Å; E118-R154 WeakPolarHBondContact OE2-CB 3.42Å; E118-R154 WeakPolarHBondContact OE2-CG 3.48Å; E118-R154 PolarHBondContact OE2-N 3.44Å; K152-R154 HydrophobicContact CB-CG 3.73Å; K152-R154 PolarHBondContact O-N 2.83Å
155L89.9Confident75.7Confident0 Ų0106.4 Ų106.40%050%0.497CS..THydrogen-bonded Turntrans-109.120.1179.5-58.9179.2000113.1M14 L82 L85 K86 A115 E118 S119 Q153 F157M14-L155 HydrophobicContact SD-CB 4.35Å; M14-L155 HydrophobicContact SD-CD1 3.93Å; L82-L155 HydrophobicContact CD2-CD1 3.69Å; L82-L155 HydrophobicContact CD2-CG 4.2Å; L85-L155 HydrophobicContact CB-CD1 4.17Å; L85-L155 HydrophobicContact CB-CD2 4.07Å; L85-L155 HydrophobicContact CD1-CD1 3.82Å; K86-L155 HydrophobicContact CB-CD2 3.81Å; A115-L155 HydrophobicContact CB-CD1 4.02Å; E118-L155 HydrophobicContact CB-CB 4.11Å; E118-L155 HydrophobicContact CB-CD1 4.1Å; E118-L155 HydrophobicContact CB-CG 4.07Å; E118-L155 CarbonylContact O-C 3.55Å; E118-L155 PolarHBondContact O-N 3.26Å; E118-L155 VanDerWaalsContact O-N 3.12Å; S119-L155 WeakPolarHBondContact CA-O 3.39Å; Q153-L155 PolarHBondContact O-N 3.06Å; Q153-L155 VanDerWaalsContact O-N 3.14Å; L155-F157 VanDerWaalsContact C-N 3.26Å; L155-F157 HydrophobicContact CB-CE2 4.14Å; L155-F157 HydrophobicContact CD2-CE2 4.39Å; L155-F157 HydrophobicContact CD2-CZ 4.07Å; L155-F157 WeakPolarHBondContact O-CD2 3.47Å; L155-F157 WeakPolarHBondContact O-CE2 3.25Å; L155-F157 PolarHBondContact O-N 2.69Å
156R84.4Confident73.2Confident151 Ų151113 Ų11357%0.5753%0.527SS*.  trans-73.681.8161.2-82.5-170.7161.1-174.5-16.8110.7E118 Q153E118-R156 PolarHBondContact O-N 2.61Å; Q153-R156 HydrophobicContact CB-CG 4.28Å; Q153-R156 PolarHBondContact O-N 3.06Å; Q153-R156 VanDerWaalsContact O-N 3.15Å; Q153-R156 VanDerWaalsContact OE1-CD 3.32Å
157F75.7Confident70.5Confident41 Ų41118.4 Ų118.418%0.1856%0.563CS.*PPolyproline II helixtrans-58.8142160.6-52-82.5000109.3N13 M14 F89 Q90 L155N13-F157 WeakPolarHBondContact ND2-CD1 3.3Å; N13-F157 WeakPolarHBondContact ND2-CD2 3.42Å; N13-F157 WeakPolarHBondContact ND2-CG 3.32Å; N13-F157 WeakPolarHBondContact OD1-CD2 3.43Å; N13-F157 WeakPolarHBondContact OD1-CE2 3.31Å; M14-F157 HydrophobicContact CG-CE2 3.83Å; M14-F157 HydrophobicContact SD-CE2 3.88Å; F89-F157 HydrophobicContact CB-CE1 4.26Å; F89-F157 HydrophobicContact CB-CZ 3.9Å; F89-F157 HydrophobicContact CD2-CZ 4.39Å; Q90-F157 HydrophobicContact CG-CD1 4.3Å; Q90-F157 HydrophobicContact CG-CE1 3.95Å; L155-F157 VanDerWaalsContact C-N 3.26Å; L155-F157 HydrophobicContact CB-CE2 4.14Å; L155-F157 HydrophobicContact CD2-CE2 4.39Å; L155-F157 HydrophobicContact CD2-CZ 4.07Å; L155-F157 WeakPolarHBondContact O-CD2 3.47Å; L155-F157 WeakPolarHBondContact O-CE2 3.25Å; L155-F157 PolarHBondContact O-N 2.69Å
158K65Low68Low198 Ų198119.6 Ų119.686%0.86158%0.58SS**PPolyproline II helixtrans-80.6130.6174.5-66.8-177.6-175.6-179.40108.9
159D56.4Low65.5Low106 Ų106120.2 Ų120.257%0.56759%0.589SS**PPolyproline II helixtrans-60.9128.8169.8-76.4-75.5000110.6H161 T162D159-H161 PolarHBondContact O-N 3.3Å; D159-H161 VanDerWaalsContact O-N 3.16Å; D159-T162 PolarHBondContact O-N 2.72Å; D159-T162 VanDerWaalsContact O-N 3.16Å; D159-T162 PolarHBondContact O-OG1 3.11Å
160P53.1Low63Low111 Ų111130.5 Ų130.572%0.72164%0.641SS**THydrogen-bonded Turntrans-58.2-26.8175.6-2635.2000113.2T162P160-T162 VanDerWaalsContact C-N 3.34Å; P160-T162 PolarHBondContact O-N 2.81Å
161H50.2Low61.5Low175 Ų175127.8 Ų127.881%0.8164%0.638SS**THydrogen-bonded Turntrans-80.5-4.9-178.7-73.693.4000114.6D159 H163D159-H161 PolarHBondContact O-N 3.3Å; D159-H161 VanDerWaalsContact O-N 3.16Å; H161-H163 PolarHBondContact O-N 3.36Å
162T48.4Very low59.8Low110 Ų110132.2 Ų132.268%0.67566%0.655SS**  trans-7961.6174.8-42.80000111.1D159 P160D159-T162 PolarHBondContact O-N 2.72Å; D159-T162 VanDerWaalsContact O-N 3.16Å; D159-T162 PolarHBondContact O-OG1 3.11Å; P160-T162 VanDerWaalsContact C-N 3.34Å; P160-T162 PolarHBondContact O-N 2.81Å
163H44.2Very low58Low168 Ų168132.9 Ų132.978%0.77866%0.663SS**  trans-60.2147.2169.1-103.9-116000110.5H161 N165H161-H163 PolarHBondContact O-N 3.36Å; H163-N165 PolarHBondContact O-N 3.3Å
164K47.5Very low56.2Low186 Ų186135.1 Ų135.181%0.80968%0.676SS**  trans-70.798.4-165.9-62.2164-175.9161.50112.1K166K164-K166 PolarHBondContact O-N 2.71Å
165N39Very low54.1Low168 Ų168139.2 Ų139.290%0.89870%0.701SS**  trans-72.470.3147.5-80.66.5000109H163 C167H163-N165 PolarHBondContact O-N 3.3Å; N165-C167 PolarHBondContact O-N 2.59Å; N165-C167 VanDerWaalsContact O-N 3.09Å
166K42Very low51.7Low178 Ų178148.5 Ų148.577%0.77475%0.748SS**  trans-66.6101.8158.2-104-161.9173.8-162.40105.8K164 C168K164-K166 PolarHBondContact O-N 2.71Å; K166-C168 PolarHBondContact O-N 3.21Å; K166-C168 VanDerWaalsContact O-N 3.16Å
167C39.2Very low49.4Very low114 Ų114148.3 Ų148.377%0.7776%0.761SS**  trans-60.7117.7169.3-170.10000108.2N165 I169N165-C167 PolarHBondContact O-N 2.59Å; N165-C167 VanDerWaalsContact O-N 3.09Å; C167-I169 PolarHBondContact O-N 3.2Å
168C43Very low47.4Very low114 Ų114156.5 Ų156.577%0.7781%0.805SS**  trans-74.1105.7167.7-65.40000107.5K166K166-C168 PolarHBondContact O-N 3.21Å; K166-C168 VanDerWaalsContact O-N 3.16Å
169I44.5Very low45.9Very low159 Ų159153.1 Ų153.182%0.81580%0.801SS**  trans-71.5127.7162.1-61.1174.4000106.1C167C167-I169 PolarHBondContact O-N 3.2Å
170M43.4Very low45Very low248 Ų248157.4 Ų157.4100%1.22282%0.822SS**  trans-82.40169.7-66.9-177.4-7000110.1

Retrieved 170 of 170 residues in 409.9 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).