WALR_STAA8 Loading...

Transcriptional regulatory protein WalR

Member of the two-component regulatory system WalK/WalR that regulates genes involved in cell wall metabolism, virulence regulation, biofilm production, oxidative stress resistance and antibiotic resistance via direct or indirect regulation of autolysins1,2. Functions as a transcription regulator by direct binding to promoter regions. Positively controls the cell wall-hydrolytic activity through regulation of atlA and lytM, as well as induces transcription of isaA, sceD, ssaA, and four ssaA-related genes. Binds directly to the lytM, ssaA and isaA promoter regions in vitro.

AlphaFold DB , UniProt , Accession Q2G2U6, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene walR, Length 233 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
1M62.7Low93Very high237 Ų23754.2 Ų54.2100%1.16727%0.266SS*.  0148.60-80.3179.8-121.400107.9
2A85.4Confident93.1Very high39 Ų3959.7 Ų59.732%0.32229%0.288SS..PPolyproline II helixtrans-62.2148.7167.300000108.9G26A2-G26 VanDerWaalsContact CB-O 3.22Å; A2-G26 WeakPolarHBondContact CB-O 3.31Å
3R95.1Very high93.2Very high95 Ų9562 Ų6236%0.35831%0.311SS..PPolyproline II helixtrans-75.6137.8173.2-67.7-72.4-177.1176.95108.2Y27 D28 D48 L117R3-Y27 HydrophobicContact CB-CD1 3.84Å; R3-Y27 HydrophobicContact CB-CE1 4Å; R3-Y27 WeakPolarHBondContact O-CA 3.38Å; R3-D28 PolarHBondContact O-N 2.96Å; R3-D48 WeakPolarHBondContact CA-OD2 3.44Å; R3-D48 HydrophobicContact CB-CB 4.22Å; R3-D48 WeakPolarHBondContact CB-OD2 3.32Å; R3-D48 VanDerWaalsContact CD-OD1 3.22Å; R3-D48 WeakPolarHBondContact CD-OD1 3.45Å; R3-D48 VanDerWaalsContact CD-OD2 3.26Å; R3-D48 WeakPolarHBondContact CD-OD2 3.4Å; R3-D48 IonicContact CZ-OD1 2.89Å; R3-D48 IonicContact NE-OD1 3.77Å; R3-D48 IonicContact NH1-OD1 3.9Å; R3-D48 PolarHBondContact NH1-OD1 2.83Å; R3-L117 HydrophobicContact CB-CD1 4.36Å
4K98.1Very high93.1Very high57 Ų5760.2 Ų60.225%0.24830%0.302CS..EExtended strand (participates in β ladder)trans-85.1133.5177.6-66.9-172.7-178.9-170.50110.5D28 Y30 E45 P47 D48 I49K4-D28 CarbonylContact C-O 3.41Å; K4-D28 VanDerWaalsContact CA-O 3.3Å; K4-D28 WeakPolarHBondContact CA-O 3.03Å; K4-D28 HydrophobicContact CG-CB 4.29Å; K4-Y30 HydrophobicContact CD-CE2 4.15Å; K4-Y30 HydrophobicContact CG-CE2 4.2Å; K4-E45 VanDerWaalsContact CD-O 3.29Å; K4-E45 WeakPolarHBondContact CD-O 3.32Å; K4-E45 PolarHBondContact NZ-O 3.35Å; K4-E45 IonicContact NZ-OE2 3Å; K4-E45 PolarHBondContact NZ-OE2 2.73Å; K4-P47 HydrophobicContact CB-CB 4.33Å; K4-D48 PolarHBondContact N-OD2 3.05Å; K4-D48 WeakPolarHBondContact O-CB 3.45Å; K4-D48 PolarHBondContact O-N 2.83Å; K4-I49 PolarHBondContact O-N 3.12Å
5V98.4Very high93.3Very high0 Ų056.2 Ų56.20%028%0.282CS..EExtended strand (participates in β ladder)trans-123.2127175-176.50000108.3V7 L22 Y27 D28 V29 Y30 I49 L51V5-V7 HydrophobicContact CG1-CG2 4.19Å; V5-L22 HydrophobicContact CG1-CD1 3.91Å; V5-Y27 HydrophobicContact CG2-CD1 3.87Å; V5-Y27 HydrophobicContact CG2-CG 3.83Å; V5-D28 PolarHBondContact N-O 3.15Å; V5-V29 HydrophobicContact CB-CG2 4.5Å; V5-V29 WeakPolarHBondContact O-CA 3.17Å; V5-Y30 PolarHBondContact O-N 3.04Å; V5-I49 WeakPolarHBondContact CA-O 3.17Å; V5-I49 HydrophobicContact CB-CG2 4.24Å; V5-I49 HydrophobicContact CG1-CG2 4.07Å; V5-I49 HydrophobicContact CG2-CG2 3.69Å; V5-L51 HydrophobicContact CG1-CG 4.27Å
6V98.6Very high93.3Very high0 Ų057.8 Ų57.80%029%0.292CS..EExtended strand (participates in β ladder)trans-98.7127.8167168.20000108.6V8 Y30 L41 I42 P47 I49 V50 L51V6-V8 HydrophobicContact CG1-CG2 3.67Å; V6-Y30 CarbonylContact C-O 3.57Å; V6-Y30 WeakPolarHBondContact CA-O 2.91Å; V6-L41 HydrophobicContact CG1-CD2 3.99Å; V6-L41 HydrophobicContact CG2-CD2 4.28Å; V6-L41 HydrophobicContact CG2-CG 4.24Å; V6-I42 HydrophobicContact CB-CG1 4.34Å; V6-I42 HydrophobicContact CG1-CG1 3.96Å; V6-I42 HydrophobicContact CG2-CG1 4.45Å; V6-P47 HydrophobicContact CB-CB 4.2Å; V6-P47 HydrophobicContact CB-CG 4.06Å; V6-P47 HydrophobicContact CG2-CB 3.73Å; V6-P47 HydrophobicContact CG2-CG 3.68Å; V6-I49 PolarHBondContact N-O 2.69Å; V6-I49 VanDerWaalsContact N-O 3.13Å; V6-V50 HydrophobicContact CB-CG2 4.49Å; V6-V50 HydrophobicContact CG1-CG1 4.38Å; V6-V50 CarbonylContact O-C 3.26Å; V6-V50 WeakPolarHBondContact O-CA 3.44Å; V6-L51 PolarHBondContact O-N 2.9Å
7V98.4Very high93.4Very high0 Ų059.9 Ų59.90%030%0.302CS..EExtended strand (participates in β ladder)trans-108.9125.5173.9-178.30000108.3V5 A15 L18 L22 V29 Y30 C31 A32 L51V5-V7 HydrophobicContact CG1-CG2 4.19Å; V7-A15 HydrophobicContact CG1-CB 4.45Å; V7-L18 HydrophobicContact CG1-CB 4.13Å; V7-L18 HydrophobicContact CG1-CD1 3.71Å; V7-L18 HydrophobicContact CG2-CB 4.4Å; V7-L22 HydrophobicContact CG2-CD1 3.81Å; V7-V29 HydrophobicContact CG2-CG1 3.73Å; V7-Y30 PolarHBondContact N-O 2.84Å; V7-C31 CarbonylContact O-C 3.52Å; V7-C31 VanDerWaalsContact O-CA 3.26Å; V7-C31 WeakPolarHBondContact O-CA 3.1Å; V7-A32 PolarHBondContact O-N 3.47Å; V7-L51 HydrophobicContact CG2-CB 4.47Å; V7-L51 HydrophobicContact CG2-CD1 4.18Å
8V98.2Very high93.6Very high0 Ų056.8 Ų56.80%029%0.287CS..EExtended strand (participates in β ladder)trans-123.7109-179.3-168.80000108.5V6 A32 A38 V50 L51 L52 D53 L56V6-V8 HydrophobicContact CG1-CG2 3.67Å; V8-A32 WeakPolarHBondContact CA-O 3.31Å; V8-A32 HydrophobicContact CG1-CB 4.3Å; V8-A32 HydrophobicContact CG2-CB 4.4Å; V8-A38 HydrophobicContact CB-CB 4.3Å; V8-A38 HydrophobicContact CG1-CB 3.49Å; V8-A38 VanDerWaalsContact CG1-CB 3.49Å; V8-A38 HydrophobicContact CG2-CB 3.8Å; V8-V50 HydrophobicContact CG2-CG1 4.25Å; V8-L51 PolarHBondContact N-O 2.9Å; V8-L52 HydrophobicContact CB-CD1 3.65Å; V8-L52 HydrophobicContact CG1-CD1 3.82Å; V8-L52 HydrophobicContact CG2-CD1 4.04Å; V8-D53 WeakPolarHBondContact O-CB 3.25Å; V8-D53 PolarHBondContact O-N 3.44Å; V8-L56 HydrophobicContact CB-CD1 4.49Å; V8-L56 HydrophobicContact CG1-CD1 3.44Å; V8-L56 VanDerWaalsContact CG1-CD1 3.44Å; V8-L56 HydrophobicContact CG1-CD2 3.97Å; V8-L56 HydrophobicContact CG1-CG 4.37Å
9D97.1Very high93.7Very high0 Ų056.4 Ų56.40%028%0.284CS..  trans-158.5128-177.6-158.2-51.5000108.2E11 I14 A15 A32 Y33 D53 K102D9-E11 VanDerWaalsContact C-N 3.27Å; D9-E11 VanDerWaalsContact OD1-CB 3.31Å; D9-E11 WeakPolarHBondContact OD1-CB 3.23Å; D9-E11 PolarHBondContact OD1-N 2.85Å; D9-E11 VanDerWaalsContact OD1-N 3.08Å; D9-I14 WeakPolarHBondContact OD2-CG2 3.28Å; D9-A15 HydrophobicContact CB-CB 4.31Å; D9-A32 PolarHBondContact N-O 2.99Å; D9-A32 VanDerWaalsContact N-O 3.16Å; D9-Y33 VanDerWaalsContact O-CD1 3.3Å; D9-Y33 WeakPolarHBondContact O-CD1 3.17Å; D9-D53 HydrophobicContact CB-CB 4.32Å; D9-K102 IonicContact OD1-NZ 3.01Å; D9-K102 PolarHBondContact OD1-NZ 3.46Å; D9-K102 WeakPolarHBondContact OD2-CE 3.49Å; D9-K102 IonicContact OD2-NZ 2.98Å; D9-K102 PolarHBondContact OD2-NZ 2.9Å
10D96.4Very high93.9Very high73 Ų7360.4 Ų60.439%0.3930%0.299SS..SBendtrans-74.1-23.618073.5-47.9000111.6K12 L56 P57D10-K12 PolarHBondContact O-N 3.29Å; D10-L56 HydrophobicContact CB-CD2 4.28Å; D10-P57 HydrophobicContact CB-CG 4.35Å
11E95.3Very high94Very high95 Ų9559.3 Ų59.344%0.44430%0.295SS..  trans-74.885172.6-58.5-174.3-108.200110.6D9 P13 I14 A15 K102D9-E11 VanDerWaalsContact C-N 3.27Å; D9-E11 VanDerWaalsContact OD1-CB 3.31Å; D9-E11 WeakPolarHBondContact OD1-CB 3.23Å; D9-E11 PolarHBondContact OD1-N 2.85Å; D9-E11 VanDerWaalsContact OD1-N 3.08Å; E11-P13 VanDerWaalsContact C-N 3.28Å; E11-I14 HydrophobicContact CB-CB 4.15Å; E11-I14 HydrophobicContact CB-CD1 3.87Å; E11-I14 HydrophobicContact CB-CG1 3.9Å; E11-I14 HydrophobicContact CG-CD1 4.24Å; E11-I14 WeakPolarHBondContact O-CA 3.38Å; E11-I14 WeakPolarHBondContact O-CB 3.43Å; E11-I14 PolarHBondContact O-N 3.47Å; E11-I14 VanDerWaalsContact OE1-CD1 3.3Å; E11-I14 WeakPolarHBondContact OE1-CD1 3.34Å; E11-I14 WeakPolarHBondContact OE2-CD1 3.41Å; E11-A15 PolarHBondContact O-N 3.24Å; E11-A15 VanDerWaalsContact O-N 3.11Å; E11-K102 IonicContact OE1-NZ 3.04Å; E11-K102 PolarHBondContact OE1-NZ 3.46Å
12K94Very high95.7Very high120 Ų12048.1 Ų48.152%0.52224%0.24SC..Hα-helixtrans-43.7-43.9178.4-60.2-171.6175.3-175.70114.8D10 I14 A15 D16 Y33D10-K12 PolarHBondContact O-N 3.29Å; K12-I14 VanDerWaalsContact C-N 3.27Å; K12-I14 PolarHBondContact O-N 3.09Å; K12-A15 PolarHBondContact O-N 3.37Å; K12-D16 WeakPolarHBondContact O-CB 3.18Å; K12-D16 PolarHBondContact O-N 2.74Å; K12-Y33 HydrophobicContact CB-CE1 4.3Å; K12-Y33 HydrophobicContact CD-CE1 4.48Å; K12-Y33 HydrophobicContact CG-CD1 3.72Å; K12-Y33 HydrophobicContact CG-CE1 3.76Å; K12-Y33 HydrophobicContact CG-CG 4.46Å
13P94Very high96.3Very high90 Ų9051 Ų5158%0.58425%0.245SC*.Hα-helixtrans-60.4-34.5177.3-2435.8000113.7E11 I17E11-P13 VanDerWaalsContact C-N 3.28Å; P13-I17 WeakPolarHBondContact O-CD1 3.34Å; P13-I17 WeakPolarHBondContact O-CG1 3.23Å; P13-I17 PolarHBondContact O-N 3.28Å
14I92.6Very high96.3Very high37 Ų3754 Ų5419%0.1926%0.261CS..Hα-helixtrans-69.6-51.4174.7-60.6-175.1000109.2D9 E11 K12 D16 I17 L18 K102 F104D9-I14 WeakPolarHBondContact OD2-CG2 3.28Å; E11-I14 HydrophobicContact CB-CB 4.15Å; E11-I14 HydrophobicContact CB-CD1 3.87Å; E11-I14 HydrophobicContact CB-CG1 3.9Å; E11-I14 HydrophobicContact CG-CD1 4.24Å; E11-I14 WeakPolarHBondContact O-CA 3.38Å; E11-I14 WeakPolarHBondContact O-CB 3.43Å; E11-I14 PolarHBondContact O-N 3.47Å; E11-I14 VanDerWaalsContact OE1-CD1 3.3Å; E11-I14 WeakPolarHBondContact OE1-CD1 3.34Å; E11-I14 WeakPolarHBondContact OE2-CD1 3.41Å; K12-I14 VanDerWaalsContact C-N 3.27Å; K12-I14 PolarHBondContact O-N 3.09Å; I14-D16 VanDerWaalsContact C-N 3.32Å; I14-D16 PolarHBondContact O-N 3.38Å; I14-I17 PolarHBondContact O-N 3.2Å; I14-I17 VanDerWaalsContact O-N 3.16Å; I14-L18 HydrophobicContact CG2-CD1 4.2Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.45Å; I14-K102 HydrophobicContact CD1-CD 4.23Å; I14-F104 HydrophobicContact CG2-CZ 4.16Å
15A95Very high96.1Very high0 Ų055.2 Ų55.20%027%0.267CS..Hα-helixtrans-54.3-45.8177.800000112.1V7 D9 E11 K12 I17 L18 E19 Y33V7-A15 HydrophobicContact CG1-CB 4.45Å; D9-A15 HydrophobicContact CB-CB 4.31Å; E11-A15 PolarHBondContact O-N 3.24Å; E11-A15 VanDerWaalsContact O-N 3.11Å; K12-A15 PolarHBondContact O-N 3.37Å; A15-I17 PolarHBondContact O-N 3.1Å; A15-L18 WeakPolarHBondContact O-CB 3.23Å; A15-L18 PolarHBondContact O-N 3.19Å; A15-E19 WeakPolarHBondContact O-CB 3.14Å; A15-E19 PolarHBondContact O-N 2.87Å; A15-Y33 HydrophobicContact CB-CD1 4.47Å; A15-Y33 HydrophobicContact CB-CE1 3.89Å
16D94.2Very high96Very high82 Ų8257.5 Ų57.544%0.43929%0.291SS..Hα-helixtrans-62-42.3178.7-70.3-18.9000111.9K12 I14 L18 E19 F20K12-D16 WeakPolarHBondContact O-CB 3.18Å; K12-D16 PolarHBondContact O-N 2.74Å; I14-D16 VanDerWaalsContact C-N 3.32Å; I14-D16 PolarHBondContact O-N 3.38Å; D16-L18 VanDerWaalsContact C-N 3.35Å; D16-E19 PolarHBondContact O-N 3.28Å; D16-F20 WeakPolarHBondContact O-CB 3.24Å; D16-F20 PolarHBondContact O-N 3.38Å
17I94.9Very high96Very high93 Ų9358.8 Ų58.848%0.47730%0.296SS..Hα-helixtrans-63.7-43.6175.7-71.8166.8000110P13 I14 A15 N21P13-I17 WeakPolarHBondContact O-CD1 3.34Å; P13-I17 WeakPolarHBondContact O-CG1 3.23Å; P13-I17 PolarHBondContact O-N 3.28Å; I14-I17 PolarHBondContact O-N 3.2Å; I14-I17 VanDerWaalsContact O-N 3.16Å; A15-I17 PolarHBondContact O-N 3.1Å; I17-N21 WeakPolarHBondContact O-CB 3.49Å; I17-N21 PolarHBondContact O-N 3.07Å; I17-N21 VanDerWaalsContact O-N 3.15Å; I17-N21 PolarHBondContact O-ND2 3.4Å
18L95.8Very high96Very high4 Ų462.5 Ų62.52%0.02132%0.316CS..Hα-helixtrans-63.5-48.8177.6-67.8-173.6000111.3V7 I14 A15 D16 F20 N21 L22 L51 L79 F104 L109V7-L18 HydrophobicContact CG1-CB 4.13Å; V7-L18 HydrophobicContact CG1-CD1 3.71Å; V7-L18 HydrophobicContact CG2-CB 4.4Å; I14-L18 HydrophobicContact CG2-CD1 4.2Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.45Å; A15-L18 WeakPolarHBondContact O-CB 3.23Å; A15-L18 PolarHBondContact O-N 3.19Å; D16-L18 VanDerWaalsContact C-N 3.35Å; L18-F20 PolarHBondContact O-N 2.79Å; L18-N21 PolarHBondContact O-N 3.24Å; L18-L22 HydrophobicContact CB-CD1 4.44Å; L18-L22 VanDerWaalsContact O-CB 3.3Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 WeakPolarHBondContact O-CD1 3.27Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.24Å; L18-L51 HydrophobicContact CD1-CD1 4.35Å; L18-L79 HydrophobicContact CD1-CD1 4.06Å; L18-F104 HydrophobicContact CD1-CZ 4.24Å; L18-F104 HydrophobicContact CD2-CE2 3.74Å; L18-F104 HydrophobicContact CD2-CZ 4.12Å; L18-L109 HydrophobicContact CD1-CD2 4.13Å; L18-L109 HydrophobicContact CD2-CD2 3.17Å; L18-L109 HydrophobicContact CG-CD2 4.26Å
19E97.1Very high96Very high50 Ų5063 Ų6323%0.23432%0.319CS..Hα-helixtrans-56.1-50.3179.1-163.8-160.5-145.200111.1A15 D16 N21 L22 K23 V29A15-E19 WeakPolarHBondContact O-CB 3.14Å; A15-E19 PolarHBondContact O-N 2.87Å; D16-E19 PolarHBondContact O-N 3.28Å; E19-N21 PolarHBondContact O-N 3.23Å; E19-L22 PolarHBondContact O-N 3.11Å; E19-K23 HydrophobicContact CG-CD 4.08Å; E19-K23 WeakPolarHBondContact O-CB 3.42Å; E19-K23 VanDerWaalsContact O-CG 3.31Å; E19-K23 WeakPolarHBondContact O-CG 3.24Å; E19-K23 PolarHBondContact O-N 2.86Å; E19-K23 WeakPolarHBondContact OE1-CE 3.17Å; E19-K23 IonicContact OE1-NZ 2.75Å; E19-K23 PolarHBondContact OE1-NZ 2.79Å; E19-K23 IonicContact OE2-NZ 2.68Å; E19-K23 PolarHBondContact OE2-NZ 3.45Å; E19-V29 HydrophobicContact CB-CG1 4.29Å; E19-V29 HydrophobicContact CG-CB 3.86Å; E19-V29 HydrophobicContact CG-CG1 3.79Å
20F97.1Very high96Very high135 Ų13566.4 Ų66.459%0.59233%0.332SS*.Hα-helixtrans-57.7-48.1178.4175.7-97.1000112.2D16 L18 K24D16-F20 WeakPolarHBondContact O-CB 3.24Å; D16-F20 PolarHBondContact O-N 3.38Å; L18-F20 PolarHBondContact O-N 2.79Å; F20-K24 WeakPolarHBondContact O-CB 3.39Å; F20-K24 PolarHBondContact O-N 2.78Å
21N96.6Very high96.1Very high38 Ų3864.3 Ų64.320%0.20332%0.323CS..Hα-helixtrans-72.7-36.3-176-75.9-72.8000112.5I17 L18 E19 K24 E25 T106 I110I17-N21 WeakPolarHBondContact O-CB 3.49Å; I17-N21 PolarHBondContact O-N 3.07Å; I17-N21 VanDerWaalsContact O-N 3.15Å; I17-N21 PolarHBondContact O-ND2 3.4Å; L18-N21 PolarHBondContact O-N 3.24Å; E19-N21 PolarHBondContact O-N 3.23Å; N21-K24 WeakPolarHBondContact O-CB 3.31Å; N21-K24 PolarHBondContact O-N 3.36Å; N21-E25 WeakPolarHBondContact O-CG 3.27Å; N21-E25 PolarHBondContact O-N 2.88Å; N21-T106 HydrophobicContact CB-CG2 3.44Å; N21-T106 VanDerWaalsContact CB-CG2 3.44Å; N21-I110 HydrophobicContact CB-CD1 4.25Å
22L97.4Very high96.2Very high3 Ų360 Ų602%0.01630%0.303CS..Hα-helixtrans-70-42175.6-72.6165.6000111.6V5 V7 L18 E19 K24 E25 G26 Y27 V29 L51 I110 V113V5-L22 HydrophobicContact CG1-CD1 3.91Å; V7-L22 HydrophobicContact CG2-CD1 3.81Å; L18-L22 HydrophobicContact CB-CD1 4.44Å; L18-L22 VanDerWaalsContact O-CB 3.3Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 WeakPolarHBondContact O-CD1 3.27Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.24Å; E19-L22 PolarHBondContact O-N 3.11Å; L22-K24 VanDerWaalsContact C-N 3.26Å; L22-K24 PolarHBondContact O-N 3.44Å; L22-E25 WeakPolarHBondContact O-CA 3.27Å; L22-E25 WeakPolarHBondContact O-CB 3.42Å; L22-E25 PolarHBondContact O-N 2.8Å; L22-G26 PolarHBondContact O-N 2.88Å; L22-Y27 HydrophobicContact CB-CD2 4.24Å; L22-Y27 HydrophobicContact CD2-CD2 3.85Å; L22-Y27 HydrophobicContact CD2-CE2 4.19Å; L22-Y27 VanDerWaalsContact O-CD2 3.31Å; L22-Y27 WeakPolarHBondContact O-CD2 3.33Å; L22-Y27 PolarHBondContact O-N 2.87Å; L22-V29 HydrophobicContact CB-CG2 3.5Å; L22-V29 HydrophobicContact CD1-CG1 4.37Å; L22-L51 HydrophobicContact CD1-CD1 3.91Å; L22-I110 HydrophobicContact CD2-CG1 4.45Å; L22-V113 HydrophobicContact CD2-CG1 4.33Å; L22-V113 HydrophobicContact CD2-CG2 4.35Å
23K97.2Very high96.4Very high99 Ų9958 Ų5843%0.4329%0.293SS..Hα-helixtrans-59.3-39172.6-75.7178.8-179.6166.70111.8E19 E25 G26 V29E19-K23 HydrophobicContact CG-CD 4.08Å; E19-K23 WeakPolarHBondContact O-CB 3.42Å; E19-K23 VanDerWaalsContact O-CG 3.31Å; E19-K23 WeakPolarHBondContact O-CG 3.24Å; E19-K23 PolarHBondContact O-N 2.86Å; E19-K23 WeakPolarHBondContact OE1-CE 3.17Å; E19-K23 IonicContact OE1-NZ 2.75Å; E19-K23 PolarHBondContact OE1-NZ 2.79Å; E19-K23 IonicContact OE2-NZ 2.68Å; E19-K23 PolarHBondContact OE2-NZ 3.45Å; K23-E25 PolarHBondContact O-N 3.05Å; K23-G26 PolarHBondContact O-N 2.88Å; K23-V29 HydrophobicContact CG-CB 4.12Å; K23-V29 HydrophobicContact CG-CG2 3.75Å
24K95.8Very high96.6Very high157 Ų15755.3 Ų55.368%0.68327%0.274SS*.Hα-helixtrans-62.8-29.7174.8-173-179.4176.9-175.70113.2F20 N21 L22 G26F20-K24 WeakPolarHBondContact O-CB 3.39Å; F20-K24 PolarHBondContact O-N 2.78Å; N21-K24 WeakPolarHBondContact O-CB 3.31Å; N21-K24 PolarHBondContact O-N 3.36Å; L22-K24 VanDerWaalsContact C-N 3.26Å; L22-K24 PolarHBondContact O-N 3.44Å; K24-G26 PolarHBondContact O-N 2.86Å
25E95.1Very high96.8Very high84 Ų8453.6 Ų53.639%0.39327%0.265SS..THydrogen-bonded Turntrans-80.7-0.3173.4-67.3-67.5147.300113.3N21 L22 K23 Y27 I110 K114N21-E25 WeakPolarHBondContact O-CG 3.27Å; N21-E25 PolarHBondContact O-N 2.88Å; L22-E25 WeakPolarHBondContact O-CA 3.27Å; L22-E25 WeakPolarHBondContact O-CB 3.42Å; L22-E25 PolarHBondContact O-N 2.8Å; K23-E25 PolarHBondContact O-N 3.05Å; E25-Y27 HydrophobicContact CB-CD2 3.75Å; E25-Y27 HydrophobicContact CB-CE2 3.66Å; E25-I110 HydrophobicContact CG-CD1 3.85Å; E25-I110 HydrophobicContact CG-CG1 4.33Å; E25-I110 HydrophobicContact CG-CG2 3.89Å; E25-K114 VanDerWaalsContact OE2-CE 3.3Å; E25-K114 WeakPolarHBondContact OE2-CE 3.47Å; E25-K114 IonicContact OE2-NZ 3.96Å; E25-K114 PolarHBondContact OE2-NZ 2.94Å
26G96.2Very high96.9Very high48 Ų4856.5 Ų56.550%0.49528%0.281SS..THydrogen-bonded Turntrans88.720.4176.100000114.6A2 L22 K23 K24A2-G26 VanDerWaalsContact CB-O 3.22Å; A2-G26 WeakPolarHBondContact CB-O 3.31Å; L22-G26 PolarHBondContact O-N 2.88Å; K23-G26 PolarHBondContact O-N 2.88Å; K24-G26 PolarHBondContact O-N 2.86Å
27Y97.8Very high97Very high27 Ų2757.2 Ų57.211%0.10628%0.284CS..  trans-87.9146.5172.7-61.9-68.5000111.6R3 V5 L22 E25 V113 K114 L117R3-Y27 HydrophobicContact CB-CD1 3.84Å; R3-Y27 HydrophobicContact CB-CE1 4Å; R3-Y27 WeakPolarHBondContact O-CA 3.38Å; V5-Y27 HydrophobicContact CG2-CD1 3.87Å; V5-Y27 HydrophobicContact CG2-CG 3.83Å; L22-Y27 HydrophobicContact CB-CD2 4.24Å; L22-Y27 HydrophobicContact CD2-CD2 3.85Å; L22-Y27 HydrophobicContact CD2-CE2 4.19Å; L22-Y27 VanDerWaalsContact O-CD2 3.31Å; L22-Y27 WeakPolarHBondContact O-CD2 3.33Å; L22-Y27 PolarHBondContact O-N 2.87Å; E25-Y27 HydrophobicContact CB-CD2 3.75Å; E25-Y27 HydrophobicContact CB-CE2 3.66Å; Y27-V113 HydrophobicContact CE2-CG1 4.23Å; Y27-K114 VanDerWaalsContact OH-CG 3.28Å; Y27-K114 WeakPolarHBondContact OH-CG 3.42Å; Y27-L117 HydrophobicContact CD1-CD1 4.42Å; Y27-L117 HydrophobicContact CE1-CD1 3.54Å
28D97.8Very high97.1Very high78 Ų7852.8 Ų52.842%0.41726%0.262SS..EExtended strand (participates in β ladder)trans-83.3120.5163.8-70.8-26.2000107.3R3 K4 V5 Y30R3-D28 PolarHBondContact O-N 2.96Å; K4-D28 CarbonylContact C-O 3.41Å; K4-D28 VanDerWaalsContact CA-O 3.3Å; K4-D28 WeakPolarHBondContact CA-O 3.03Å; K4-D28 HydrophobicContact CG-CB 4.29Å; V5-D28 PolarHBondContact N-O 3.15Å; D28-Y30 HydrophobicContact CB-CE2 4.23Å
29V98.2Very high97.2Very high11 Ų1152.9 Ų52.97%0.06726%0.263CS..EExtended strand (participates in β ladder)trans-120.5131.9-170.6-166.90000110.8V5 V7 E19 L22 K23V5-V29 HydrophobicContact CB-CG2 4.5Å; V5-V29 WeakPolarHBondContact O-CA 3.17Å; V7-V29 HydrophobicContact CG2-CG1 3.73Å; E19-V29 HydrophobicContact CB-CG1 4.29Å; E19-V29 HydrophobicContact CG-CB 3.86Å; E19-V29 HydrophobicContact CG-CG1 3.79Å; L22-V29 HydrophobicContact CB-CG2 3.5Å; L22-V29 HydrophobicContact CD1-CG1 4.37Å; K23-V29 HydrophobicContact CG-CB 4.12Å; K23-V29 HydrophobicContact CG-CG2 3.75Å
30Y98.2Very high97.3Very high71 Ų7155.6 Ų55.628%0.27828%0.278SS..EExtended strand (participates in β ladder)trans-122.4141.6177.4-58-99.7000108.8K4 V5 V6 V7 D28 L41 E45K4-Y30 HydrophobicContact CD-CE2 4.15Å; K4-Y30 HydrophobicContact CG-CE2 4.2Å; V5-Y30 PolarHBondContact O-N 3.04Å; V6-Y30 CarbonylContact C-O 3.57Å; V6-Y30 WeakPolarHBondContact CA-O 2.91Å; V7-Y30 PolarHBondContact N-O 2.84Å; D28-Y30 HydrophobicContact CB-CE2 4.23Å; Y30-L41 HydrophobicContact CD1-CD1 4.47Å; Y30-E45 HydrophobicContact CD1-CG 3.88Å; Y30-E45 HydrophobicContact CD2-CG 4.33Å; Y30-E45 HydrophobicContact CE1-CG 3.9Å; Y30-E45 WeakPolarHBondContact CE1-OE1 3.24Å; Y30-E45 HydrophobicContact CE2-CG 4.39Å; Y30-E45 HydrophobicContact CG-CG 4.08Å; Y30-E45 VanDerWaalsContact CZ-CD 3.43Å; Y30-E45 PolarHBondContact OH-OE2 2.87Å; Y30-E45 VanDerWaalsContact OH-OE2 3.06Å
31C98.1Very high97.3Very high28 Ų2850.6 Ų50.619%0.18926%0.258CS..EExtended strand (participates in β ladder)trans-120.3137.1-176.1-59.40000111.4V7 Y33V7-C31 CarbonylContact O-C 3.52Å; V7-C31 VanDerWaalsContact O-CA 3.26Å; V7-C31 WeakPolarHBondContact O-CA 3.1Å; C31-Y33 HydrophobicContact CB-CE1 4.38Å; C31-Y33 HydrophobicContact CB-CE2 4.49Å
32A98Very high97.4Very high4 Ų448.9 Ų48.93%0.03325%0.249CC..EExtended strand (participates in β ladder)trans-123.1151.4165.700000109.6V7 V8 D9 D37 A38 L41V7-A32 PolarHBondContact O-N 3.47Å; V8-A32 WeakPolarHBondContact CA-O 3.31Å; V8-A32 HydrophobicContact CG1-CB 4.3Å; V8-A32 HydrophobicContact CG2-CB 4.4Å; D9-A32 PolarHBondContact N-O 2.99Å; D9-A32 VanDerWaalsContact N-O 3.16Å; A32-D37 HydrophobicContact CB-CB 4.41Å; A32-A38 HydrophobicContact CB-CB 4.05Å; A32-L41 HydrophobicContact CB-CD2 3.92Å
33Y97.5Very high97.4Very high79 Ų7951.8 Ų51.831%0.3126%0.26SS..SBendtrans-123.52-174.7-48.3-80.9000112.8D9 K12 A15 C31 P57D9-Y33 VanDerWaalsContact O-CD1 3.3Å; D9-Y33 WeakPolarHBondContact O-CD1 3.17Å; K12-Y33 HydrophobicContact CB-CE1 4.3Å; K12-Y33 HydrophobicContact CD-CE1 4.48Å; K12-Y33 HydrophobicContact CG-CD1 3.72Å; K12-Y33 HydrophobicContact CG-CE1 3.76Å; K12-Y33 HydrophobicContact CG-CG 4.46Å; A15-Y33 HydrophobicContact CB-CD1 4.47Å; A15-Y33 HydrophobicContact CB-CE1 3.89Å; C31-Y33 HydrophobicContact CB-CE1 4.38Å; C31-Y33 HydrophobicContact CB-CE2 4.49Å; Y33-P57 WeakPolarHBondContact O-CG 3.45Å
34D97.4Very high97.3Very high34 Ų3454.2 Ų54.218%0.18227%0.273CS..SBendtrans-141.3147.4177.9179.595.7000108.4N36 D37 A38 P57 G58D34-N36 VanDerWaalsContact C-N 3.32Å; D34-N36 PolarHBondContact O-N 3.44Å; D34-N36 VanDerWaalsContact OD2-CB 3.31Å; D34-N36 WeakPolarHBondContact OD2-CB 3.39Å; D34-N36 PolarHBondContact OD2-N 3.38Å; D34-N36 PolarHBondContact OD2-ND2 3.03Å; D34-D37 HydrophobicContact CB-CB 4.5Å; D34-D37 PolarHBondContact O-N 3.1Å; D34-A38 WeakPolarHBondContact O-CB 3.32Å; D34-A38 PolarHBondContact O-N 3.23Å; D34-P57 HydrophobicContact CB-CG 4.11Å; D34-P57 VanDerWaalsContact CG-O 3.27Å; D34-P57 WeakPolarHBondContact OD1-CB 2.82Å; D34-G58 PolarHBondContact OD1-N 3.33Å
35G97.1Very high97.4Very high0 Ų048.5 Ų48.50%025%0.248CC..Hα-helixtrans-69.5-24.2-176.200000114.8V39 P57 R59 V64G35-V39 PolarHBondContact O-N 3.44Å; G35-P57 PolarHBondContact N-O 3.5Å; G35-R59 WeakPolarHBondContact CA-O 3.32Å; G35-V64 VanDerWaalsContact O-CG2 3.29Å; G35-V64 WeakPolarHBondContact O-CG2 3.49Å
36N96.6Very high97.4Very high62 Ų6250 Ų5033%0.33226%0.255SS..Hα-helixtrans-71.8-50.3174.1-59.6-68.5000110.4D34 A38 V39 D40 R59D34-N36 VanDerWaalsContact C-N 3.32Å; D34-N36 PolarHBondContact O-N 3.44Å; D34-N36 VanDerWaalsContact OD2-CB 3.31Å; D34-N36 WeakPolarHBondContact OD2-CB 3.39Å; D34-N36 PolarHBondContact OD2-N 3.38Å; D34-N36 PolarHBondContact OD2-ND2 3.03Å; N36-A38 PolarHBondContact O-N 3.23Å; N36-V39 PolarHBondContact O-N 3.43Å; N36-V39 VanDerWaalsContact O-N 3.13Å; N36-D40 PolarHBondContact O-N 3.27Å; N36-R59 PolarHBondContact OD1-NE 2.99Å
37D97.2Very high97.5Very high96 Ų9647.8 Ų47.851%0.51323%0.233SC..Hα-helixtrans-59.1-33.9176.5-66.9-9000111.1A32 D34 D40 L41A32-D37 HydrophobicContact CB-CB 4.41Å; D34-D37 HydrophobicContact CB-CB 4.5Å; D34-D37 PolarHBondContact O-N 3.1Å; D37-D40 PolarHBondContact O-N 3.37Å; D37-L41 WeakPolarHBondContact O-CB 3.44Å; D37-L41 PolarHBondContact O-N 3Å
38A97.9Very high97.5Very high0 Ų047.6 Ų47.60%023%0.233CC..Hα-helixtrans-61-45.3176.100000113V8 A32 D34 N36 I42 V64V8-A38 HydrophobicContact CB-CB 4.3Å; V8-A38 HydrophobicContact CG1-CB 3.49Å; V8-A38 VanDerWaalsContact CG1-CB 3.49Å; V8-A38 HydrophobicContact CG2-CB 3.8Å; A32-A38 HydrophobicContact CB-CB 4.05Å; D34-A38 WeakPolarHBondContact O-CB 3.32Å; D34-A38 PolarHBondContact O-N 3.23Å; N36-A38 PolarHBondContact O-N 3.23Å; A38-I42 WeakPolarHBondContact O-CB 3.4Å; A38-I42 WeakPolarHBondContact O-CD1 3.46Å; A38-I42 WeakPolarHBondContact O-CG1 3.35Å; A38-I42 PolarHBondContact O-N 3.24Å; A38-V64 HydrophobicContact CB-CG1 4.19Å; A38-V64 HydrophobicContact CB-CG2 4.38Å
39V97.9Very high97.4Very high7 Ų743.9 Ų43.94%0.04221%0.213CC..Hα-helixtrans-64.6-46.3179.3173.10000110.3G35 N36 L41 I42 Y43 V64 E67G35-V39 PolarHBondContact O-N 3.44Å; N36-V39 PolarHBondContact O-N 3.43Å; N36-V39 VanDerWaalsContact O-N 3.13Å; V39-L41 PolarHBondContact O-N 2.98Å; V39-I42 PolarHBondContact O-N 3.43Å; V39-Y43 HydrophobicContact CG1-CD2 4.17Å; V39-Y43 HydrophobicContact CG1-CE1 4.29Å; V39-Y43 HydrophobicContact CG1-CE2 3.83Å; V39-Y43 PolarHBondContact O-N 3.38Å; V39-V64 HydrophobicContact CG2-CB 4.37Å; V39-V64 HydrophobicContact CG2-CG1 4.04Å; V39-V64 HydrophobicContact CG2-CG2 4.18Å; V39-E67 HydrophobicContact CG1-CG 3.94Å; V39-E67 HydrophobicContact CG2-CB 4.33Å; V39-E67 HydrophobicContact CG2-CG 4.3Å
40D97.4Very high97.4Very high106 Ų10643.3 Ų43.357%0.56721%0.21SC*.Hα-helixtrans-61.5-46.1179.4-70-16.9000111N36 D37 I42 Y43 E44N36-D40 PolarHBondContact O-N 3.27Å; D37-D40 PolarHBondContact O-N 3.37Å; D40-I42 PolarHBondContact O-N 2.86Å; D40-Y43 PolarHBondContact O-N 2.94Å; D40-E44 WeakPolarHBondContact O-CB 3.36Å; D40-E44 PolarHBondContact O-N 3.43Å
41L97.9Very high97.4Very high31 Ų3140 Ų4016%0.16220%0.197CC..Hα-helixtrans-62.6-41.3177.9-177.565.8000112.5V6 Y30 A32 D37 V39 Y43 E44 E45V6-L41 HydrophobicContact CG1-CD2 3.99Å; V6-L41 HydrophobicContact CG2-CD2 4.28Å; V6-L41 HydrophobicContact CG2-CG 4.24Å; Y30-L41 HydrophobicContact CD1-CD1 4.47Å; A32-L41 HydrophobicContact CB-CD2 3.92Å; D37-L41 WeakPolarHBondContact O-CB 3.44Å; D37-L41 PolarHBondContact O-N 3Å; V39-L41 PolarHBondContact O-N 2.98Å; L41-Y43 VanDerWaalsContact C-N 3.31Å; L41-Y43 PolarHBondContact O-N 3Å; L41-E44 PolarHBondContact O-N 3.46Å; L41-E45 HydrophobicContact CD1-CG 3.74Å; L41-E45 HydrophobicContact CG-CG 4.45Å; L41-E45 WeakPolarHBondContact O-CB 3.42Å; L41-E45 PolarHBondContact O-N 2.87Å
42I98.3Very high97.4Very high1 Ų138.7 Ų38.71%0.00519%0.188CC..Hα-helixtrans-65.4-38.2178-70.4164.1000110.7V6 A38 V39 D40 E46 P47 V50 V64 V68 M74V6-I42 HydrophobicContact CB-CG1 4.34Å; V6-I42 HydrophobicContact CG1-CG1 3.96Å; V6-I42 HydrophobicContact CG2-CG1 4.45Å; A38-I42 WeakPolarHBondContact O-CB 3.4Å; A38-I42 WeakPolarHBondContact O-CD1 3.46Å; A38-I42 WeakPolarHBondContact O-CG1 3.35Å; A38-I42 PolarHBondContact O-N 3.24Å; V39-I42 PolarHBondContact O-N 3.43Å; D40-I42 PolarHBondContact O-N 2.86Å; I42-E46 WeakPolarHBondContact O-CA 3.35Å; I42-E46 PolarHBondContact O-N 2.84Å; I42-P47 HydrophobicContact CG1-CG 4.37Å; I42-P47 HydrophobicContact CG2-CG 4.22Å; I42-P47 VanDerWaalsContact O-CD 3.3Å; I42-P47 WeakPolarHBondContact O-CD 3.45Å; I42-V50 HydrophobicContact CD1-CG1 3.9Å; I42-V50 HydrophobicContact CD1-CG2 3.98Å; I42-V50 HydrophobicContact CG1-CG2 4.12Å; I42-V64 HydrophobicContact CD1-CG1 4.29Å; I42-V68 HydrophobicContact CB-CG2 4.38Å; I42-V68 HydrophobicContact CD1-CG2 3.77Å; I42-V68 HydrophobicContact CG2-CG1 3.93Å; I42-V68 HydrophobicContact CG2-CG2 3.95Å; I42-M74 HydrophobicContact CG2-CE 4.28Å
43Y97Very high97.3Very high65 Ų6538.9 Ų38.926%0.25519%0.189SC..Hα-helixtrans-72.4-33.3178.5-73.33.9000112.7V39 D40 L41 E67 Y72V39-Y43 HydrophobicContact CG1-CD2 4.17Å; V39-Y43 HydrophobicContact CG1-CE1 4.29Å; V39-Y43 HydrophobicContact CG1-CE2 3.83Å; V39-Y43 PolarHBondContact O-N 3.38Å; D40-Y43 PolarHBondContact O-N 2.94Å; L41-Y43 VanDerWaalsContact C-N 3.31Å; L41-Y43 PolarHBondContact O-N 3Å; Y43-E67 PolarHBondContact OH-O 2.8Å; Y43-Y72 HydrophobicContact CD1-CD2 4.03Å; Y43-Y72 AromaticContact CD1-CE2 3.39Å; Y43-Y72 HydrophobicContact CD1-CE2 3.39Å; Y43-Y72 AromaticContact CE1-CD2 3.89Å; Y43-Y72 HydrophobicContact CE1-CD2 3.89Å; Y43-Y72 AromaticContact CE1-CE2 3.61Å; Y43-Y72 HydrophobicContact CE1-CE2 3.61Å; Y43-Y72 HydrophobicContact CG-CE2 4.31Å
44E96.9Very high97.1Very high150 Ų15035.4 Ų35.470%0.70118%0.176SC*.Hα-helixtrans-75.5-48.4177-178.8172.7-171.200112D40 L41D40-E44 WeakPolarHBondContact O-CB 3.36Å; D40-E44 PolarHBondContact O-N 3.43Å; L41-E44 PolarHBondContact O-N 3.46Å
45E96.9Very high96.8Very high36 Ų3640 Ų4017%0.16820%0.198CC..Hα-helixtrans-86.7-20.6-171.4-70.5-62.6163.800114K4 Y30 L41K4-E45 VanDerWaalsContact CD-O 3.29Å; K4-E45 WeakPolarHBondContact CD-O 3.32Å; K4-E45 PolarHBondContact NZ-O 3.35Å; K4-E45 IonicContact NZ-OE2 3Å; K4-E45 PolarHBondContact NZ-OE2 2.73Å; Y30-E45 HydrophobicContact CD1-CG 3.88Å; Y30-E45 HydrophobicContact CD2-CG 4.33Å; Y30-E45 HydrophobicContact CE1-CG 3.9Å; Y30-E45 WeakPolarHBondContact CE1-OE1 3.24Å; Y30-E45 HydrophobicContact CE2-CG 4.39Å; Y30-E45 HydrophobicContact CG-CG 4.08Å; Y30-E45 VanDerWaalsContact CZ-CD 3.43Å; Y30-E45 PolarHBondContact OH-OE2 2.87Å; Y30-E45 VanDerWaalsContact OH-OE2 3.06Å; L41-E45 HydrophobicContact CD1-CG 3.74Å; L41-E45 HydrophobicContact CG-CG 4.45Å; L41-E45 WeakPolarHBondContact O-CB 3.42Å; L41-E45 PolarHBondContact O-N 2.87Å
46E96.1Very high96.7Very high115 Ų11541 Ų4154%0.53720%0.203SC..  trans45.363.6-175-58.1-163.7145.500111.8I42 Y72I42-E46 WeakPolarHBondContact O-CA 3.35Å; I42-E46 PolarHBondContact O-N 2.84Å; E46-Y72 HydrophobicContact CG-CE1 4.06Å; E46-Y72 PolarHBondContact OE1-OH 2.94Å
47P97.6Very high96.6Very high3 Ų340.9 Ų40.92%0.01921%0.205CC..  trans-67.6155.5-171.430.2-37.3000112.6K4 V6 I42 I49 V50 M74K4-P47 HydrophobicContact CB-CB 4.33Å; V6-P47 HydrophobicContact CB-CB 4.2Å; V6-P47 HydrophobicContact CB-CG 4.06Å; V6-P47 HydrophobicContact CG2-CB 3.73Å; V6-P47 HydrophobicContact CG2-CG 3.68Å; I42-P47 HydrophobicContact CG1-CG 4.37Å; I42-P47 HydrophobicContact CG2-CG 4.22Å; I42-P47 VanDerWaalsContact O-CD 3.3Å; I42-P47 WeakPolarHBondContact O-CD 3.45Å; P47-I49 VanDerWaalsContact C-N 3.3Å; P47-V50 HydrophobicContact CG-CG2 3.79Å; P47-M74 HydrophobicContact CG-CE 4.38Å
48D96.7Very high96.6Very high22 Ų2239.1 Ų39.112%0.11821%0.21CC..SBendtrans-76.5-19.5175-62.1-85.9000112.4R3 K4 P75 L117 Y121R3-D48 WeakPolarHBondContact CA-OD2 3.44Å; R3-D48 HydrophobicContact CB-CB 4.22Å; R3-D48 WeakPolarHBondContact CB-OD2 3.32Å; R3-D48 VanDerWaalsContact CD-OD1 3.22Å; R3-D48 WeakPolarHBondContact CD-OD1 3.45Å; R3-D48 VanDerWaalsContact CD-OD2 3.26Å; R3-D48 WeakPolarHBondContact CD-OD2 3.4Å; R3-D48 IonicContact CZ-OD1 2.89Å; R3-D48 IonicContact NE-OD1 3.77Å; R3-D48 IonicContact NH1-OD1 3.9Å; R3-D48 PolarHBondContact NH1-OD1 2.83Å; K4-D48 PolarHBondContact N-OD2 3.05Å; K4-D48 WeakPolarHBondContact O-CB 3.45Å; K4-D48 PolarHBondContact O-N 2.83Å; D48-P75 WeakPolarHBondContact O-CD 3.23Å; D48-L117 HydrophobicContact CB-CD2 3.64Å; D48-L117 WeakPolarHBondContact O-CD2 3.36Å; D48-Y121 WeakPolarHBondContact CA-OH 3.33Å; D48-Y121 HydrophobicContact CB-CE2 3.85Å; D48-Y121 WeakPolarHBondContact CB-OH 3.34Å; D48-Y121 PolarHBondContact OD1-OH 3.04Å
49I97.5Very high96.4Very high0 Ų042.9 Ų42.90%022%0.224CC..EExtended strand (participates in β ladder)trans-161.4147.7176.8-175.4161.7000110.8K4 V5 V6 P47 P75 I77 V113 N116 L117K4-I49 PolarHBondContact O-N 3.12Å; V5-I49 WeakPolarHBondContact CA-O 3.17Å; V5-I49 HydrophobicContact CB-CG2 4.24Å; V5-I49 HydrophobicContact CG1-CG2 4.07Å; V5-I49 HydrophobicContact CG2-CG2 3.69Å; V6-I49 PolarHBondContact N-O 2.69Å; V6-I49 VanDerWaalsContact N-O 3.13Å; P47-I49 VanDerWaalsContact C-N 3.3Å; I49-P75 WeakPolarHBondContact CA-O 3.4Å; I49-P75 HydrophobicContact CD1-CB 4.07Å; I49-P75 HydrophobicContact CG1-CB 4.06Å; I49-P75 WeakPolarHBondContact CG1-O 3.06Å; I49-I77 HydrophobicContact CD1-CD1 3.88Å; I49-I77 HydrophobicContact CD1-CG1 4.13Å; I49-V113 HydrophobicContact CD1-CB 4.44Å; I49-V113 HydrophobicContact CD1-CG1 4.34Å; I49-V113 HydrophobicContact CD1-CG2 4.36Å; I49-V113 HydrophobicContact CG2-CG1 4.29Å; I49-N116 HydrophobicContact CD1-CB 3.9Å; I49-L117 HydrophobicContact CB-CD2 3.85Å; I49-L117 HydrophobicContact CB-CG 4.24Å; I49-L117 HydrophobicContact CD1-CG 4.29Å; I49-L117 HydrophobicContact CG2-CD1 4.07Å; I49-L117 HydrophobicContact CG2-CD2 3.85Å; I49-L117 HydrophobicContact CG2-CG 4.02Å
50V98.2Very high96.3Very high0 Ų045.1 Ų45.10%024%0.236CC..EExtended strand (participates in β ladder)trans-118.3133.8176.6-173.40000110.5V6 V8 I42 P47 L52 M74 P75 I76 I77V6-V50 HydrophobicContact CB-CG2 4.49Å; V6-V50 HydrophobicContact CG1-CG1 4.38Å; V6-V50 CarbonylContact O-C 3.26Å; V6-V50 WeakPolarHBondContact O-CA 3.44Å; V8-V50 HydrophobicContact CG2-CG1 4.25Å; I42-V50 HydrophobicContact CD1-CG1 3.9Å; I42-V50 HydrophobicContact CD1-CG2 3.98Å; I42-V50 HydrophobicContact CG1-CG2 4.12Å; P47-V50 HydrophobicContact CG-CG2 3.79Å; V50-L52 HydrophobicContact CG1-CB 4.19Å; V50-M74 HydrophobicContact CG2-CG 4.25Å; V50-M74 HydrophobicContact CG2-SD 4.49Å; V50-P75 PolarHBondContact N-O 3.19Å; V50-I76 HydrophobicContact CB-CG1 4.2Å; V50-I77 PolarHBondContact O-N 3Å
51L98Very high96.1Very high0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-103.7117.6165.8-55-171.8000107.9V5 V6 V7 V8 L18 L22 I77 L109 V113V5-L51 HydrophobicContact CG1-CG 4.27Å; V6-L51 PolarHBondContact O-N 2.9Å; V7-L51 HydrophobicContact CG2-CB 4.47Å; V7-L51 HydrophobicContact CG2-CD1 4.18Å; V8-L51 PolarHBondContact N-O 2.9Å; L18-L51 HydrophobicContact CD1-CD1 4.35Å; L22-L51 HydrophobicContact CD1-CD1 3.91Å; L51-I77 HydrophobicContact CD2-CB 3.74Å; L51-I77 HydrophobicContact CD2-CD1 3.89Å; L51-I77 HydrophobicContact CD2-CG1 4.05Å; L51-I77 HydrophobicContact CD2-CG2 4.37Å; L51-L109 HydrophobicContact CD1-CD1 4.28Å; L51-L109 HydrophobicContact CD1-CD2 3.98Å; L51-L109 HydrophobicContact CD1-CG 4.27Å; L51-L109 HydrophobicContact CD2-CD1 4.2Å; L51-V113 HydrophobicContact CD1-CG2 4.31Å; L51-V113 HydrophobicContact CD2-CG2 3.82Å
52L97.6Very high95.9Very high1 Ų139 Ų391%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-128.9110.1-164.9-177.955.5000111.2V8 V50 L56 G61 V64 C65 I76 I77 M78 L79V8-L52 HydrophobicContact CB-CD1 3.65Å; V8-L52 HydrophobicContact CG1-CD1 3.82Å; V8-L52 HydrophobicContact CG2-CD1 4.04Å; V50-L52 HydrophobicContact CG1-CB 4.19Å; L52-L56 HydrophobicContact CD1-CD1 3.77Å; L52-G61 WeakPolarHBondContact CD2-O 3.48Å; L52-V64 HydrophobicContact CD1-CB 4.19Å; L52-V64 HydrophobicContact CD1-CG1 3.94Å; L52-V64 HydrophobicContact CD2-CB 4.08Å; L52-V64 HydrophobicContact CD2-CG1 3.9Å; L52-C65 HydrophobicContact CD2-CB 4.03Å; L52-I76 HydrophobicContact CB-CG2 4.13Å; L52-I76 HydrophobicContact CD2-CG2 4.07Å; L52-I77 PolarHBondContact N-O 3.06Å; L52-M78 HydrophobicContact CB-SD 4.14Å; L52-M78 HydrophobicContact CD2-CE 4.15Å; L52-M78 HydrophobicContact CD2-SD 3.95Å; L52-M78 HydrophobicContact CG-CE 4.08Å; L52-M78 HydrophobicContact CG-SD 4.17Å; L52-M78 CarbonylContact O-C 3.58Å; L52-M78 VanDerWaalsContact O-CA 3.31Å; L52-M78 WeakPolarHBondContact O-CA 3.41Å; L52-L79 PolarHBondContact O-N 2.83Å
53D95.7Very high95.7Very high9 Ų943.1 Ų43.15%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-65.3146.8167.5-162.210.6000111.2V8 D9 L56 G61 L79 K102V8-D53 WeakPolarHBondContact O-CB 3.25Å; V8-D53 PolarHBondContact O-N 3.44Å; D9-D53 HydrophobicContact CB-CB 4.32Å; D53-L56 HydrophobicContact CB-CD2 4.21Å; D53-L56 HydrophobicContact CB-CG 4.48Å; D53-L56 WeakPolarHBondContact O-CD1 3.42Å; D53-G61 WeakPolarHBondContact O-CA 3.37Å; D53-L79 HydrophobicContact CB-CB 4.47Å; D53-K102 VanDerWaalsContact CG-NZ 3.27Å; D53-K102 IonicContact OD1-NZ 2.94Å; D53-K102 IonicContact OD2-NZ 3.97Å; D53-K102 PolarHBondContact OD2-NZ 2.91Å
54I92.9Very high95.7Very high6 Ų640 Ų403%0.03121%0.21CC..SBendtrans-79.7-43.3179.9-68.2174.6000110.2L56 G61 M62 M78 L79 D87I54-L56 PolarHBondContact O-N 3.43Å; I54-G61 PolarHBondContact O-N 2.78Å; I54-M62 HydrophobicContact CD1-CE 4.44Å; I54-M62 HydrophobicContact CG2-CE 3.85Å; I54-M62 HydrophobicContact CG2-CG 4.45Å; I54-M78 HydrophobicContact CD1-CB 4.37Å; I54-M78 HydrophobicContact CD1-CE 4.28Å; I54-M78 HydrophobicContact CG1-CB 4.45Å; I54-M78 HydrophobicContact CG1-CE 3.47Å; I54-M78 VanDerWaalsContact CG1-CE 3.47Å; I54-L79 WeakPolarHBondContact CG1-O 3.29Å; I54-L79 PolarHBondContact N-O 3.42Å; I54-D87 HydrophobicContact CD1-CB 3.61Å; I54-D87 HydrophobicContact CG2-CB 4.29Å
55M91.9Very high95.6Very high131 Ų13132.9 Ų32.965%0.64518%0.177SC*.SBendtrans-89.1100.3-178-61.9-58.4-64.300108.8
56L94.8Very high95.5Very high20 Ų2036.7 Ų36.711%0.10519%0.19CC..  trans-128.2147.4178.2-68171000110.1V8 D10 L52 D53 I54 R59V8-L56 HydrophobicContact CB-CD1 4.49Å; V8-L56 HydrophobicContact CG1-CD1 3.44Å; V8-L56 VanDerWaalsContact CG1-CD1 3.44Å; V8-L56 HydrophobicContact CG1-CD2 3.97Å; V8-L56 HydrophobicContact CG1-CG 4.37Å; D10-L56 HydrophobicContact CB-CD2 4.28Å; L52-L56 HydrophobicContact CD1-CD1 3.77Å; D53-L56 HydrophobicContact CB-CD2 4.21Å; D53-L56 HydrophobicContact CB-CG 4.48Å; D53-L56 WeakPolarHBondContact O-CD1 3.42Å; I54-L56 PolarHBondContact O-N 3.43Å; L56-R59 VanDerWaalsContact CB-O 3.31Å; L56-R59 WeakPolarHBondContact CB-O 3.34Å
57P95Very high95.4Very high59 Ų5933.6 Ų33.638%0.38318%0.175SC..SBendtrans-66.2157.5165.628.5-31000110.5D10 Y33 D34 G35 R59D10-P57 HydrophobicContact CB-CG 4.35Å; Y33-P57 WeakPolarHBondContact O-CG 3.45Å; D34-P57 HydrophobicContact CB-CG 4.11Å; D34-P57 VanDerWaalsContact CG-O 3.27Å; D34-P57 WeakPolarHBondContact OD1-CB 2.82Å; G35-P57 PolarHBondContact N-O 3.5Å; P57-R59 PolarHBondContact O-N 3.28Å; P57-R59 VanDerWaalsContact O-N 3.16Å
58G95.6Very high95.3Very high60 Ų6033.5 Ų33.562%0.61918%0.175SC*.SBendtrans75.5-103.1-177.800000111.3D34D34-G58 PolarHBondContact OD1-N 3.33Å
59R95Very high95.1Very high78 Ų7834.5 Ų34.529%0.29418%0.177SC..SBendtrans-92135.7170-67.3177.6-171.2-165.90.1108.7G35 N36 L56 P57 E63 V64G35-R59 WeakPolarHBondContact CA-O 3.32Å; N36-R59 PolarHBondContact OD1-NE 2.99Å; L56-R59 VanDerWaalsContact CB-O 3.31Å; L56-R59 WeakPolarHBondContact CB-O 3.34Å; P57-R59 PolarHBondContact O-N 3.28Å; P57-R59 VanDerWaalsContact O-N 3.16Å; R59-E63 HydrophobicContact CB-CB 4.03Å; R59-E63 HydrophobicContact CG-CB 4.47Å; R59-V64 HydrophobicContact CB-CG2 4.03Å
60D94.7Very high94.8Very high55 Ų5541.5 Ų41.529%0.29421%0.207SC..  trans-68.4164.6169.274.123.1000110.9M62 E63 V64D60-M62 PolarHBondContact O-N 3.42Å; D60-M62 VanDerWaalsContact O-N 3.15Å; D60-M62 WeakPolarHBondContact OD1-CA 3.21Å; D60-M62 VanDerWaalsContact OD1-CB 3.28Å; D60-M62 WeakPolarHBondContact OD1-CB 3.32Å; D60-M62 PolarHBondContact OD1-N 3.4Å; D60-E63 PolarHBondContact O-N 3.27Å; D60-E63 WeakPolarHBondContact OD1-CB 3.38Å; D60-E63 WeakPolarHBondContact OD1-CG 3.14Å; D60-E63 PolarHBondContact OD1-N 2.96Å; D60-V64 WeakPolarHBondContact O-CG2 3.32Å; D60-V64 PolarHBondContact O-N 3.04Å
61G94.5Very high94.4Very high0 Ų047.7 Ų47.70%023%0.234CC..Hα-helixtrans-62-23.2-179.700000113.8L52 D53 I54 C65L52-G61 WeakPolarHBondContact CD2-O 3.48Å; D53-G61 WeakPolarHBondContact O-CA 3.37Å; I54-G61 PolarHBondContact O-N 2.78Å; G61-C65 VanDerWaalsContact O-CB 3.3Å; G61-C65 WeakPolarHBondContact O-CB 3.27Å; G61-C65 PolarHBondContact O-N 3.37Å
62M92.6Very high94.1Very high9 Ų949 Ų494%0.04424%0.239CC..Hα-helixtrans-74.8-40.9177.6-69.9-174.6-170.400111.7I54 D60 C65 R66 D87 L90 L94I54-M62 HydrophobicContact CD1-CE 4.44Å; I54-M62 HydrophobicContact CG2-CE 3.85Å; I54-M62 HydrophobicContact CG2-CG 4.45Å; D60-M62 PolarHBondContact O-N 3.42Å; D60-M62 VanDerWaalsContact O-N 3.15Å; D60-M62 WeakPolarHBondContact OD1-CA 3.21Å; D60-M62 VanDerWaalsContact OD1-CB 3.28Å; D60-M62 WeakPolarHBondContact OD1-CB 3.32Å; D60-M62 PolarHBondContact OD1-N 3.4Å; M62-C65 PolarHBondContact O-N 2.83Å; M62-R66 WeakPolarHBondContact O-CB 3.42Å; M62-R66 PolarHBondContact O-N 2.91Å; M62-D87 HydrophobicContact CE-CB 3.51Å; M62-L90 HydrophobicContact CE-CB 3.86Å; M62-L90 HydrophobicContact CE-CD2 3.9Å; M62-L90 HydrophobicContact CE-CG 4.01Å; M62-L90 HydrophobicContact SD-CB 4.03Å; M62-L90 HydrophobicContact SD-CD2 3.3Å; M62-L90 WeakPolarHBondContact SD-CD2 3.27Å; M62-L90 HydrophobicContact SD-CG 3.49Å; M62-L90 WeakPolarHBondContact SD-CG 3.4Å; M62-L94 HydrophobicContact CB-CD1 3.49Å; M62-L94 VanDerWaalsContact CB-CD1 3.49Å; M62-L94 HydrophobicContact CG-CD1 3.94Å; M62-L94 HydrophobicContact SD-CD1 4.17Å
63E94.8Very high93.7Very high87 Ų8753.3 Ų53.341%0.40726%0.259SS..Hα-helixtrans-62.9-43.6171-72.7-178.9-129.400111.3R59 D60 R66 E67R59-E63 HydrophobicContact CB-CB 4.03Å; R59-E63 HydrophobicContact CG-CB 4.47Å; D60-E63 PolarHBondContact O-N 3.27Å; D60-E63 WeakPolarHBondContact OD1-CB 3.38Å; D60-E63 WeakPolarHBondContact OD1-CG 3.14Å; D60-E63 PolarHBondContact OD1-N 2.96Å; E63-R66 PolarHBondContact O-N 2.63Å; E63-E67 WeakPolarHBondContact O-CB 3.31Å; E63-E67 PolarHBondContact O-N 3.09Å
64V96.9Very high93.5Very high0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-58.9-51.1173.5175.40000110.7G35 A38 V39 I42 L52 R59 D60 R66 E67 V68G35-V64 VanDerWaalsContact O-CG2 3.29Å; G35-V64 WeakPolarHBondContact O-CG2 3.49Å; A38-V64 HydrophobicContact CB-CG1 4.19Å; A38-V64 HydrophobicContact CB-CG2 4.38Å; V39-V64 HydrophobicContact CG2-CB 4.37Å; V39-V64 HydrophobicContact CG2-CG1 4.04Å; V39-V64 HydrophobicContact CG2-CG2 4.18Å; I42-V64 HydrophobicContact CD1-CG1 4.29Å; L52-V64 HydrophobicContact CD1-CB 4.19Å; L52-V64 HydrophobicContact CD1-CG1 3.94Å; L52-V64 HydrophobicContact CD2-CB 4.08Å; L52-V64 HydrophobicContact CD2-CG1 3.9Å; R59-V64 HydrophobicContact CB-CG2 4.03Å; D60-V64 WeakPolarHBondContact O-CG2 3.32Å; D60-V64 PolarHBondContact O-N 3.04Å; V64-R66 VanDerWaalsContact C-N 3.33Å; V64-R66 PolarHBondContact O-N 3.39Å; V64-E67 PolarHBondContact O-N 2.8Å; V64-V68 HydrophobicContact CG1-CG2 4.22Å; V64-V68 VanDerWaalsContact O-CG2 3.3Å; V64-V68 WeakPolarHBondContact O-CG2 3.23Å; V64-V68 PolarHBondContact O-N 2.93Å
65C95Very high93.6Very high0 Ų053.3 Ų53.30%026%0.26CS..Hα-helixtrans-57.2-46.4178.8-178.80000111.7L52 G61 M62 E67 V68 R69 M78L52-C65 HydrophobicContact CD2-CB 4.03Å; G61-C65 VanDerWaalsContact O-CB 3.3Å; G61-C65 WeakPolarHBondContact O-CB 3.27Å; G61-C65 PolarHBondContact O-N 3.37Å; M62-C65 PolarHBondContact O-N 2.83Å; C65-E67 VanDerWaalsContact C-N 3.32Å; C65-E67 PolarHBondContact O-N 2.68Å; C65-V68 PolarHBondContact O-N 3.15Å; C65-R69 VanDerWaalsContact O-CB 3.3Å; C65-R69 WeakPolarHBondContact O-CB 3.41Å; C65-R69 WeakPolarHBondContact O-CG 3.39Å; C65-R69 PolarHBondContact O-N 2.83Å; C65-M78 HydrophobicContact CB-SD 4.44Å
66R93.6Very high93.8Very high116 Ų11647.1 Ų47.144%0.43823%0.229SC..Hα-helixtrans-62-39.8178.9-170-172.8-56.8107.25.8111.9M62 E63 V64M62-R66 WeakPolarHBondContact O-CB 3.42Å; M62-R66 PolarHBondContact O-N 2.91Å; E63-R66 PolarHBondContact O-N 2.63Å; V64-R66 VanDerWaalsContact C-N 3.33Å; V64-R66 PolarHBondContact O-N 3.39Å
67E95.3Very high93.8Very high49 Ų4946.2 Ų46.223%0.22922%0.224CC..Hα-helixtrans-67.9-50.7178.6-172.661.8-155.100111.3V39 Y43 E63 V64 C65 R69 K70V39-E67 HydrophobicContact CG1-CG 3.94Å; V39-E67 HydrophobicContact CG2-CB 4.33Å; V39-E67 HydrophobicContact CG2-CG 4.3Å; Y43-E67 PolarHBondContact OH-O 2.8Å; E63-E67 WeakPolarHBondContact O-CB 3.31Å; E63-E67 PolarHBondContact O-N 3.09Å; V64-E67 PolarHBondContact O-N 2.8Å; C65-E67 VanDerWaalsContact C-N 3.32Å; C65-E67 PolarHBondContact O-N 2.68Å; E67-R69 PolarHBondContact O-N 3.25Å; E67-K70 VanDerWaalsContact O-CB 3.31Å; E67-K70 WeakPolarHBondContact O-CB 3.49Å; E67-K70 WeakPolarHBondContact O-CG 3.44Å; E67-K70 PolarHBondContact O-N 3.34Å; E67-K70 VanDerWaalsContact O-N 3.08Å; E67-K70 IonicContact OE1-NZ 3.69Å; E67-K70 WeakPolarHBondContact OE2-CE 3.44Å; E67-K70 IonicContact OE2-NZ 2.67Å; E67-K70 PolarHBondContact OE2-NZ 3.21Å
68V95.3Very high93.7Very high1 Ų143.5 Ų43.51%0.00621%0.206CC..Hα-helixtrans-58.9-39-179.6171.60000111.3I42 V64 C65 K70 K71 Y72 M74 I76I42-V68 HydrophobicContact CB-CG2 4.38Å; I42-V68 HydrophobicContact CD1-CG2 3.77Å; I42-V68 HydrophobicContact CG2-CG1 3.93Å; I42-V68 HydrophobicContact CG2-CG2 3.95Å; V64-V68 HydrophobicContact CG1-CG2 4.22Å; V64-V68 VanDerWaalsContact O-CG2 3.3Å; V64-V68 WeakPolarHBondContact O-CG2 3.23Å; V64-V68 PolarHBondContact O-N 2.93Å; C65-V68 PolarHBondContact O-N 3.15Å; V68-K70 PolarHBondContact O-N 3.41Å; V68-K70 VanDerWaalsContact O-N 3.17Å; V68-K71 PolarHBondContact O-N 2.97Å; V68-K71 VanDerWaalsContact O-N 3.09Å; V68-Y72 HydrophobicContact CG1-CD2 4.4Å; V68-Y72 PolarHBondContact O-N 2.89Å; V68-M74 HydrophobicContact CG1-SD 3.88Å; V68-I76 HydrophobicContact CB-CD1 4.45Å; V68-I76 HydrophobicContact CG1-CD1 4.1Å
69R92Very high93.6Very high44 Ų4440.6 Ų40.617%0.16618%0.177CC..THydrogen-bonded Turntrans-67.8-10.3179.7-75.1-79.1178-103.82.6115C65 E67 K71 Y72 M74 I76 G95 D97C65-R69 VanDerWaalsContact O-CB 3.3Å; C65-R69 WeakPolarHBondContact O-CB 3.41Å; C65-R69 WeakPolarHBondContact O-CG 3.39Å; C65-R69 PolarHBondContact O-N 2.83Å; E67-R69 PolarHBondContact O-N 3.25Å; R69-K71 PolarHBondContact O-N 3.46Å; R69-Y72 PolarHBondContact NH1-O 2.97Å; R69-M74 VanDerWaalsContact CZ-O 3.26Å; R69-M74 PolarHBondContact NH1-O 2.89Å; R69-M74 PolarHBondContact NH2-O 2.54Å; R69-I76 HydrophobicContact CG-CD1 4.45Å; R69-G95 PolarHBondContact NE-O 3.45Å; R69-G95 PolarHBondContact NH2-O 2.92Å; R69-D97 IonicContact CZ-OD2 3.24Å; R69-D97 IonicContact NH2-OD2 3.63Å; R69-D97 PolarHBondContact NH2-OD2 3.32Å
70K91Very high93.1Very high146 Ų14637 Ų3764%0.63516%0.163SC*.THydrogen-bonded Turntrans-70.3-19.8170.3-64.4173.6-179.1170.80113E67 V68E67-K70 VanDerWaalsContact O-CB 3.31Å; E67-K70 WeakPolarHBondContact O-CB 3.49Å; E67-K70 WeakPolarHBondContact O-CG 3.44Å; E67-K70 PolarHBondContact O-N 3.34Å; E67-K70 VanDerWaalsContact O-N 3.08Å; E67-K70 IonicContact OE1-NZ 3.69Å; E67-K70 WeakPolarHBondContact OE2-CE 3.44Å; E67-K70 IonicContact OE2-NZ 2.67Å; E67-K70 PolarHBondContact OE2-NZ 3.21Å; V68-K70 PolarHBondContact O-N 3.41Å; V68-K70 VanDerWaalsContact O-N 3.17Å
71K90.2Very high92.6Very high130 Ų13037.1 Ų37.157%0.56517%0.172SC*.THydrogen-bonded Turntrans-132.1-27-172.6-171.6176.6174.7-152.20113.5V68 R69V68-K71 PolarHBondContact O-N 2.97Å; V68-K71 VanDerWaalsContact O-N 3.09Å; R69-K71 PolarHBondContact O-N 3.46Å
72Y91.9Very high91.4Very high27 Ų2744.1 Ų44.111%0.10620%0.202CC..  trans-131143.3-171.2-59.5-81.7000113.7Y43 E46 V68 R69 M74Y43-Y72 HydrophobicContact CD1-CD2 4.03Å; Y43-Y72 AromaticContact CD1-CE2 3.39Å; Y43-Y72 HydrophobicContact CD1-CE2 3.39Å; Y43-Y72 AromaticContact CE1-CD2 3.89Å; Y43-Y72 HydrophobicContact CE1-CD2 3.89Å; Y43-Y72 AromaticContact CE1-CE2 3.61Å; Y43-Y72 HydrophobicContact CE1-CE2 3.61Å; Y43-Y72 HydrophobicContact CG-CE2 4.31Å; E46-Y72 HydrophobicContact CG-CE1 4.06Å; E46-Y72 PolarHBondContact OE1-OH 2.94Å; V68-Y72 HydrophobicContact CG1-CD2 4.4Å; V68-Y72 PolarHBondContact O-N 2.89Å; R69-Y72 PolarHBondContact NH1-O 2.97Å; Y72-M74 WeakPolarHBondContact CB-SD 3.38Å; Y72-M74 HydrophobicContact CD1-CE 3.65Å; Y72-M74 HydrophobicContact CD2-CE 4.26Å; Y72-M74 HydrophobicContact CG-CE 3.5Å; Y72-M74 VanDerWaalsContact CG-CE 3.5Å; Y72-M74 HydrophobicContact CG-SD 4.25Å
73E88.8Confident90.3Very high93 Ų9351.3 Ų51.344%0.43524%0.241SC..  trans-111.87.4-178.7-60.5-176.915900113H120E73-H120 PolarHBondContact O-CE1 2.89Å
74M92.7Very high89.5Confident11 Ų1148 Ų485%0.05423%0.228CC..SBendtrans-58.1150.6178.379-75.7-76.100110.3I42 P47 V50 V68 R69 Y72 I76I42-M74 HydrophobicContact CG2-CE 4.28Å; P47-M74 HydrophobicContact CG-CE 4.38Å; V50-M74 HydrophobicContact CG2-CG 4.25Å; V50-M74 HydrophobicContact CG2-SD 4.49Å; V68-M74 HydrophobicContact CG1-SD 3.88Å; R69-M74 VanDerWaalsContact CZ-O 3.26Å; R69-M74 PolarHBondContact NH1-O 2.89Å; R69-M74 PolarHBondContact NH2-O 2.54Å; Y72-M74 WeakPolarHBondContact CB-SD 3.38Å; Y72-M74 HydrophobicContact CD1-CE 3.65Å; Y72-M74 HydrophobicContact CD2-CE 4.26Å; Y72-M74 HydrophobicContact CG-CE 3.5Å; Y72-M74 VanDerWaalsContact CG-CE 3.5Å; Y72-M74 HydrophobicContact CG-SD 4.25Å; M74-I76 PolarHBondContact O-N 3.08Å
75P93.7Very high88.4Confident4 Ų452.4 Ų52.43%0.02625%0.248CC..  trans-58.6135.3-179.8-24.134.8000112.2D48 I49 V50 D97 N116 H120D48-P75 WeakPolarHBondContact O-CD 3.23Å; I49-P75 WeakPolarHBondContact CA-O 3.4Å; I49-P75 HydrophobicContact CD1-CB 4.07Å; I49-P75 HydrophobicContact CG1-CB 4.06Å; I49-P75 WeakPolarHBondContact CG1-O 3.06Å; V50-P75 PolarHBondContact N-O 3.19Å; P75-D97 VanDerWaalsContact CA-OD2 3.26Å; P75-D97 WeakPolarHBondContact CA-OD2 3.25Å; P75-N116 HydrophobicContact CB-CB 3.91Å; P75-N116 HydrophobicContact CG-CB 4.29Å; P75-H120 HydrophobicContact CG-CB 3.7Å
76I95.9Very high87.6Confident1 Ų158.8 Ų58.81%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-118.5124171.4-61173.4000108.3V50 L52 V68 R69 M74 M78 D97 D98V50-I76 HydrophobicContact CB-CG1 4.2Å; L52-I76 HydrophobicContact CB-CG2 4.13Å; L52-I76 HydrophobicContact CD2-CG2 4.07Å; V68-I76 HydrophobicContact CB-CD1 4.45Å; V68-I76 HydrophobicContact CG1-CD1 4.1Å; R69-I76 HydrophobicContact CG-CD1 4.45Å; M74-I76 PolarHBondContact O-N 3.08Å; I76-M78 HydrophobicContact CG2-SD 3.86Å; I76-D97 PolarHBondContact N-OD2 3.37Å; I76-D97 PolarHBondContact O-N 3.13Å; I76-D98 PolarHBondContact O-N 3.46Å
77I94.6Very high86.9Confident0 Ų055.3 Ų55.30%027%0.271CS..EExtended strand (participates in β ladder)trans-105.6114.4173.4-53-172.4000108.1I49 V50 L51 L52 D98 V100 R112 V113I49-I77 HydrophobicContact CD1-CD1 3.88Å; I49-I77 HydrophobicContact CD1-CG1 4.13Å; V50-I77 PolarHBondContact O-N 3Å; L51-I77 HydrophobicContact CD2-CB 3.74Å; L51-I77 HydrophobicContact CD2-CD1 3.89Å; L51-I77 HydrophobicContact CD2-CG1 4.05Å; L51-I77 HydrophobicContact CD2-CG2 4.37Å; L52-I77 PolarHBondContact N-O 3.06Å; I77-D98 WeakPolarHBondContact CA-O 3.38Å; I77-D98 HydrophobicContact CG1-CB 4.14Å; I77-D98 HydrophobicContact CG2-CB 4.24Å; I77-V100 HydrophobicContact CG2-CB 4.46Å; I77-V100 HydrophobicContact CG2-CG2 3.67Å; I77-R112 HydrophobicContact CD1-CB 4.07Å; I77-V113 HydrophobicContact CD1-CG2 4.19Å
78M94.3Very high86.2Confident2 Ų254.6 Ų54.61%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-76.5130.2176.2-57.2-57.9-64.700110.7L52 I54 C65 I76 A96 D98 Y99 V100L52-M78 HydrophobicContact CB-SD 4.14Å; L52-M78 HydrophobicContact CD2-CE 4.15Å; L52-M78 HydrophobicContact CD2-SD 3.95Å; L52-M78 HydrophobicContact CG-CE 4.08Å; L52-M78 HydrophobicContact CG-SD 4.17Å; L52-M78 CarbonylContact O-C 3.58Å; L52-M78 VanDerWaalsContact O-CA 3.31Å; L52-M78 WeakPolarHBondContact O-CA 3.41Å; I54-M78 HydrophobicContact CD1-CB 4.37Å; I54-M78 HydrophobicContact CD1-CE 4.28Å; I54-M78 HydrophobicContact CG1-CB 4.45Å; I54-M78 HydrophobicContact CG1-CE 3.47Å; I54-M78 VanDerWaalsContact CG1-CE 3.47Å; C65-M78 HydrophobicContact CB-SD 4.44Å; I76-M78 HydrophobicContact CG2-SD 3.86Å; M78-A96 HydrophobicContact CG-CB 3.37Å; M78-A96 HydrophobicContact SD-CB 4.06Å; M78-D98 PolarHBondContact N-O 2.92Å; M78-Y99 CarbonylContact O-C 3.46Å; M78-Y99 WeakPolarHBondContact O-CA 3.42Å; M78-V100 PolarHBondContact O-N 3.38Å
79L92.9Very high85.4Confident0 Ų056 Ų560%028%0.276CS..EExtended strand (participates in β ladder)trans-90.1125.7166.8-48.4-179.2000107.4L18 L52 D53 I54 V100 F104 L109L18-L79 HydrophobicContact CD1-CD1 4.06Å; L52-L79 PolarHBondContact O-N 2.83Å; D53-L79 HydrophobicContact CB-CB 4.47Å; I54-L79 WeakPolarHBondContact CG1-O 3.29Å; I54-L79 PolarHBondContact N-O 3.42Å; L79-V100 WeakPolarHBondContact CA-O 3.32Å; L79-V100 HydrophobicContact CD2-CB 4.19Å; L79-F104 HydrophobicContact CD1-CE1 4.3Å; L79-F104 HydrophobicContact CD1-CZ 4.38Å; L79-F104 HydrophobicContact CD2-CE1 3.96Å; L79-F104 HydrophobicContact CD2-CZ 4.44Å; L79-L109 HydrophobicContact CD2-CD1 4.14Å
80T85.1Confident84.9Confident1 Ų157 Ų571%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-133.8149.8-170.8176.80000111.2K88 Y99 V100 T101 K102T80-K88 HydrophobicContact CG2-CD 4.38Å; T80-K88 HydrophobicContact CG2-CG 3.77Å; T80-Y99 HydrophobicContact CG2-CD2 3.92Å; T80-V100 WeakPolarHBondContact CG2-O 3.49Å; T80-V100 PolarHBondContact N-O 3.5Å; T80-T101 HydrophobicContact CG2-CG2 3.91Å; T80-T101 CarbonylContact O-C 3.58Å; T80-T101 WeakPolarHBondContact O-CA 3.49Å; T80-K102 PolarHBondContact O-N 3.22Å
81A83.4Confident84.4Confident58 Ų5850 Ų5048%0.47925%0.254SS..EExtended strand (participates in β ladder)trans-66.3145169.900000111D83 S84A81-D83 PolarHBondContact O-N 2.79Å; A81-D83 VanDerWaalsContact O-N 3.17Å; A81-S84 PolarHBondContact O-N 2.86Å
82K70.6Confident84Confident147 Ų14744 Ų4464%0.63923%0.228SC*.THydrogen-bonded Turntrans-53.1-41.2-177.9-171.3176178.8-179.40113.3S84 K88 K102K82-S84 VanDerWaalsContact C-N 3.27Å; K82-S84 PolarHBondContact O-N 2.86Å; K82-K88 PolarHBondContact O-NZ 2.83Å; K82-K102 PolarHBondContact N-O 3.41Å
83D69.2Low83.6Confident160 Ų16046 Ų4686%0.85624%0.238SC*.THydrogen-bonded Turntrans-84.13.1-175-59.8-33.5000113.7A81 E85A81-D83 PolarHBondContact O-N 2.79Å; A81-D83 VanDerWaalsContact O-N 3.17Å; D83-E85 PolarHBondContact O-N 2.98Å
84S78.2Confident83.3Confident18 Ų1843.3 Ų43.313%0.12623%0.227CC..  trans-101.173.8-177.5-166.70000113.3A81 K82 I86 D87 K88A81-S84 PolarHBondContact O-N 2.86Å; K82-S84 VanDerWaalsContact C-N 3.27Å; K82-S84 PolarHBondContact O-N 2.86Å; S84-I86 VanDerWaalsContact C-N 3.28Å; S84-D87 WeakPolarHBondContact CB-OD2 3.49Å; S84-D87 PolarHBondContact O-N 2.89Å; S84-D87 WeakPolarHBondContact OG-CB 3.14Å; S84-D87 PolarHBondContact OG-N 3.49Å; S84-D87 PolarHBondContact OG-OD1 3.04Å; S84-D87 PolarHBondContact OG-OD2 3.15Å; S84-K88 WeakPolarHBondContact O-CG 3.5Å; S84-K88 PolarHBondContact O-N 2.86Å
85E73.6Confident82.7Confident92 Ų9242.9 Ų42.943%0.4323%0.225SC..Hα-helixtrans-64.2-35.6173.2-168.2179.1-154.700112.5D83 K88 V89 R196D83-E85 PolarHBondContact O-N 2.98Å; E85-K88 PolarHBondContact O-N 3.49Å; E85-V89 WeakPolarHBondContact O-CG2 3.3Å; E85-V89 PolarHBondContact O-N 3.05Å; E85-R196 VanDerWaalsContact CD-NH1 3.31Å; E85-R196 IonicContact OE1-CZ 3.6Å; E85-R196 IonicContact OE1-NE 3.65Å; E85-R196 PolarHBondContact OE1-NE 2.75Å; E85-R196 IonicContact OE1-NH1 2.66Å; E85-R196 PolarHBondContact OE1-NH1 2.78Å; E85-R196 IonicContact OE1-NH2 3.95Å; E85-R196 PolarHBondContact OE1-NH2 2.83Å; E85-R196 IonicContact OE2-NH1 2.63Å; E85-R196 IonicContact OE2-NH2 2.74Å
86I77.5Confident82.1Confident134 Ų13442.9 Ų42.969%0.68723%0.225SC*.Hα-helixtrans-63.6-45.4178-64.7172.3000110S84 K88 V89 L90S84-I86 VanDerWaalsContact C-N 3.28Å; I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 2.8Å; I86-V89 PolarHBondContact O-N 3.33Å; I86-L90 WeakPolarHBondContact O-CB 3.32Å; I86-L90 PolarHBondContact O-N 3.14Å
87D78.6Confident81.6Confident44 Ų4443 Ų4324%0.23523%0.226CC..Hα-helixtrans-69.6-31.5-177.6-59.2-20000112.2I54 M62 S84 L90 G91I54-D87 HydrophobicContact CD1-CB 3.61Å; I54-D87 HydrophobicContact CG2-CB 4.29Å; M62-D87 HydrophobicContact CE-CB 3.51Å; S84-D87 WeakPolarHBondContact CB-OD2 3.49Å; S84-D87 PolarHBondContact O-N 2.89Å; S84-D87 WeakPolarHBondContact OG-CB 3.14Å; S84-D87 PolarHBondContact OG-N 3.49Å; S84-D87 PolarHBondContact OG-OD1 3.04Å; S84-D87 PolarHBondContact OG-OD2 3.15Å; D87-L90 PolarHBondContact O-N 2.78Å; D87-G91 PolarHBondContact O-N 3.44Å
88K80.3Confident81.3Confident33 Ų3343 Ų4314%0.14323%0.226CC..Hα-helixtrans-58.8-51.9172.1-70.9165.2-164.2161.30110.8T80 K82 S84 E85 I86 L92 Y99T80-K88 HydrophobicContact CG2-CD 4.38Å; T80-K88 HydrophobicContact CG2-CG 3.77Å; K82-K88 PolarHBondContact O-NZ 2.83Å; S84-K88 WeakPolarHBondContact O-CG 3.5Å; S84-K88 PolarHBondContact O-N 2.86Å; E85-K88 PolarHBondContact O-N 3.49Å; I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 2.8Å; K88-L92 VanDerWaalsContact O-CB 3.28Å; K88-L92 WeakPolarHBondContact O-CB 3.14Å; K88-L92 WeakPolarHBondContact O-CG 3.47Å; K88-L92 PolarHBondContact O-N 3.28Å; K88-Y99 HydrophobicContact CB-CD1 4.44Å; K88-Y99 HydrophobicContact CB-CG 4.43Å; K88-Y99 HydrophobicContact CD-CD2 3.89Å; K88-Y99 HydrophobicContact CD-CE2 3.58Å; K88-Y99 HydrophobicContact CG-CD1 4.45Å; K88-Y99 HydrophobicContact CG-CD2 3.72Å; K88-Y99 HydrophobicContact CG-CE2 3.92Å; K88-Y99 HydrophobicContact CG-CG 4.01Å
89V79.5Confident81.1Confident32 Ų3244 Ų4419%0.19423%0.23CC..Hα-helixtrans-63.2-46-179.6174.20000109.9E85 I86 L92 E93 V200E85-V89 WeakPolarHBondContact O-CG2 3.3Å; E85-V89 PolarHBondContact O-N 3.05Å; I86-V89 PolarHBondContact O-N 3.33Å; V89-L92 CarbonylContact O-C 3.5Å; V89-L92 PolarHBondContact O-N 2.85Å; V89-E93 HydrophobicContact CG1-CG 4.3Å; V89-E93 WeakPolarHBondContact O-CB 3.2Å; V89-E93 WeakPolarHBondContact O-CG 3.48Å; V89-E93 PolarHBondContact O-N 2.74Å; V89-V200 HydrophobicContact CG1-CG2 4.12Å
90L81.1Confident80.9Confident64 Ų6444 Ų4434%0.33523%0.23SC..Hα-helixtrans-67.7-42.1-177.3-172.956.3000112.5M62 I86 D87 L92 E93 L94M62-L90 HydrophobicContact CE-CB 3.86Å; M62-L90 HydrophobicContact CE-CD2 3.9Å; M62-L90 HydrophobicContact CE-CG 4.01Å; M62-L90 HydrophobicContact SD-CB 4.03Å; M62-L90 HydrophobicContact SD-CD2 3.3Å; M62-L90 WeakPolarHBondContact SD-CD2 3.27Å; M62-L90 HydrophobicContact SD-CG 3.49Å; M62-L90 WeakPolarHBondContact SD-CG 3.4Å; I86-L90 WeakPolarHBondContact O-CB 3.32Å; I86-L90 PolarHBondContact O-N 3.14Å; D87-L90 PolarHBondContact O-N 2.78Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.02Å; L90-E93 CarbonylContact O-C 3.59Å; L90-E93 WeakPolarHBondContact O-CA 3.49Å; L90-E93 WeakPolarHBondContact O-CB 3.46Å; L90-E93 PolarHBondContact O-N 3.14Å; L90-L94 HydrophobicContact CD1-CD1 4.27Å; L90-L94 HydrophobicContact CD1-CG 4.34Å; L90-L94 HydrophobicContact CG-CD1 4.1Å; L90-L94 WeakPolarHBondContact O-CB 3.28Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.33Å; L90-L94 PolarHBondContact O-N 2.84Å
91G80.1Confident81.1Confident0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-61.3-43.317400000112D87 E93 L94 G95 A96D87-G91 PolarHBondContact O-N 3.44Å; G91-E93 VanDerWaalsContact C-N 3.27Å; G91-E93 PolarHBondContact O-N 3.49Å; G91-L94 PolarHBondContact O-N 2.98Å; G91-G95 PolarHBondContact O-N 3.35Å; G91-G95 VanDerWaalsContact O-N 3.12Å; G91-A96 WeakPolarHBondContact O-CB 3.41Å; G91-A96 PolarHBondContact O-N 3.39Å; G91-A96 VanDerWaalsContact O-N 3.13Å
92L82.3Confident81.3Confident4 Ų444.5 Ų44.52%0.02122%0.224CC..Hα-helixtrans-66.7-24.5171.8-72.3172.8000112.9K88 V89 L90 A96 Y99 T197 V200 R204K88-L92 VanDerWaalsContact O-CB 3.28Å; K88-L92 WeakPolarHBondContact O-CB 3.14Å; K88-L92 WeakPolarHBondContact O-CG 3.47Å; K88-L92 PolarHBondContact O-N 3.28Å; V89-L92 CarbonylContact O-C 3.5Å; V89-L92 PolarHBondContact O-N 2.85Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.02Å; L92-A96 HydrophobicContact CD2-CB 4.31Å; L92-Y99 HydrophobicContact CD1-CD1 3.84Å; L92-Y99 HydrophobicContact CD1-CE1 4.02Å; L92-Y99 HydrophobicContact CD2-CD1 4.48Å; L92-Y99 HydrophobicContact CG-CD1 4.26Å; L92-T197 HydrophobicContact CD1-CG2 4.16Å; L92-T197 WeakPolarHBondContact CD1-OG1 3.5Å; L92-T197 HydrophobicContact CD2-CG2 3.94Å; L92-V200 VanDerWaalsContact C-CG1 3.45Å; L92-V200 HydrophobicContact CB-CB 4.35Å; L92-V200 HydrophobicContact CB-CG1 3.89Å; L92-V200 WeakPolarHBondContact O-CG1 3.3Å; L92-R204 PolarHBondContact O-NE 2.52Å; L92-R204 PolarHBondContact O-NH1 3.47Å; L92-R204 PolarHBondContact O-NH2 3.13Å
93E83Confident82.1Confident68 Ų6843.4 Ų43.432%0.31823%0.232SC..Hα-helixtrans-81-20.6174.1-80.6-175.3162.300112V89 L90 G91 V200 R203 R204V89-E93 HydrophobicContact CG1-CG 4.3Å; V89-E93 WeakPolarHBondContact O-CB 3.2Å; V89-E93 WeakPolarHBondContact O-CG 3.48Å; V89-E93 PolarHBondContact O-N 2.74Å; L90-E93 CarbonylContact O-C 3.59Å; L90-E93 WeakPolarHBondContact O-CA 3.49Å; L90-E93 WeakPolarHBondContact O-CB 3.46Å; L90-E93 PolarHBondContact O-N 3.14Å; G91-E93 VanDerWaalsContact C-N 3.27Å; G91-E93 PolarHBondContact O-N 3.49Å; E93-V200 HydrophobicContact CB-CG1 4.31Å; E93-V200 HydrophobicContact CG-CG1 3.62Å; E93-V200 HydrophobicContact CG-CG2 4.34Å; E93-R203 IonicContact OE1-CZ 2.7Å; E93-R203 IonicContact OE1-NH1 3.86Å; E93-R203 PolarHBondContact OE1-NH1 3.24Å; E93-R204 PolarHBondContact O-NE 3.46Å; E93-R204 PolarHBondContact O-NH2 2.68Å
94L83.8Confident83Confident37 Ų3737.7 Ų37.719%0.19420%0.2CC..Hα-helixtrans-97.6-25.3-177.6-70.6173.4000116.9M62 L90 G91M62-L94 HydrophobicContact CB-CD1 3.49Å; M62-L94 VanDerWaalsContact CB-CD1 3.49Å; M62-L94 HydrophobicContact CG-CD1 3.94Å; M62-L94 HydrophobicContact SD-CD1 4.17Å; L90-L94 HydrophobicContact CD1-CD1 4.27Å; L90-L94 HydrophobicContact CD1-CG 4.34Å; L90-L94 HydrophobicContact CG-CD1 4.1Å; L90-L94 WeakPolarHBondContact O-CB 3.28Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.33Å; L90-L94 PolarHBondContact O-N 2.84Å; G91-L94 PolarHBondContact O-N 2.98Å
95G79.8Confident83.5Confident2 Ų240 Ų402%0.02122%0.216CC..THydrogen-bonded Turntrans167.2-9.3164.300000115.2R69 G91R69-G95 PolarHBondContact NE-O 3.45Å; R69-G95 PolarHBondContact NH2-O 2.92Å; G91-G95 PolarHBondContact O-N 3.35Å; G91-G95 VanDerWaalsContact O-N 3.12Å
96A80.6Confident84.2Confident3 Ų337.6 Ų37.63%0.02521%0.208CC..  trans-64143.7-172.100000111.9M78 G91 L92M78-A96 HydrophobicContact CG-CB 3.37Å; M78-A96 HydrophobicContact SD-CB 4.06Å; G91-A96 WeakPolarHBondContact O-CB 3.41Å; G91-A96 PolarHBondContact O-N 3.39Å; G91-A96 VanDerWaalsContact O-N 3.13Å; L92-A96 HydrophobicContact CD2-CB 4.31Å
97D86.1Confident84.7Confident4 Ų441.3 Ų41.32%0.02121%0.213CC..SBendtrans-92.5-22.3177.8-58-89.2000111.1R69 P75 I76 R161 W187R69-D97 IonicContact CZ-OD2 3.24Å; R69-D97 IonicContact NH2-OD2 3.63Å; R69-D97 PolarHBondContact NH2-OD2 3.32Å; P75-D97 VanDerWaalsContact CA-OD2 3.26Å; P75-D97 WeakPolarHBondContact CA-OD2 3.25Å; I76-D97 PolarHBondContact N-OD2 3.37Å; I76-D97 PolarHBondContact O-N 3.13Å; D97-R161 HydrophobicContact CB-CG 3.81Å; D97-R161 VanDerWaalsContact OD1-CG 3.29Å; D97-R161 WeakPolarHBondContact OD1-CG 3.48Å; D97-W187 PolarHBondContact O-NE1 3.45Å
98D88.1Confident85.1Confident1 Ų141.9 Ų41.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-156.5167.1-178.7-161.84.5000111.1I76 I77 M78 R112 Y191I76-D98 PolarHBondContact O-N 3.46Å; I77-D98 WeakPolarHBondContact CA-O 3.38Å; I77-D98 HydrophobicContact CG1-CB 4.14Å; I77-D98 HydrophobicContact CG2-CB 4.24Å; M78-D98 PolarHBondContact N-O 2.92Å; D98-R112 IonicContact OD1-NH1 3.33Å; D98-R112 PolarHBondContact OD1-NH1 3.44Å; D98-R112 IonicContact OD2-CZ 3.49Å; D98-R112 IonicContact OD2-NH1 2.8Å; D98-R112 PolarHBondContact OD2-NH1 3.33Å; D98-Y191 VanDerWaalsContact CG-CE2 3.4Å; D98-Y191 WeakPolarHBondContact OD1-CE2 3.33Å; D98-Y191 PolarHBondContact OD1-OH 3.27Å; D98-Y191 WeakPolarHBondContact OD2-CE2 3.47Å
99Y89.6Confident85.7Confident22 Ų2240.4 Ų40.49%0.08621%0.208CC..EExtended strand (participates in β ladder)trans-138.3155.6167.169.7-89.8000111.3M78 T80 K88 L92 T101 D194M78-Y99 CarbonylContact O-C 3.46Å; M78-Y99 WeakPolarHBondContact O-CA 3.42Å; T80-Y99 HydrophobicContact CG2-CD2 3.92Å; K88-Y99 HydrophobicContact CB-CD1 4.44Å; K88-Y99 HydrophobicContact CB-CG 4.43Å; K88-Y99 HydrophobicContact CD-CD2 3.89Å; K88-Y99 HydrophobicContact CD-CE2 3.58Å; K88-Y99 HydrophobicContact CG-CD1 4.45Å; K88-Y99 HydrophobicContact CG-CD2 3.72Å; K88-Y99 HydrophobicContact CG-CE2 3.92Å; K88-Y99 HydrophobicContact CG-CG 4.01Å; L92-Y99 HydrophobicContact CD1-CD1 3.84Å; L92-Y99 HydrophobicContact CD1-CE1 4.02Å; L92-Y99 HydrophobicContact CD2-CD1 4.48Å; L92-Y99 HydrophobicContact CG-CD1 4.26Å; Y99-T101 HydrophobicContact CE2-CG2 4.44Å; Y99-D194 WeakPolarHBondContact OH-CB 3.43Å; Y99-D194 PolarHBondContact OH-N 3.47Å
100V89.3Confident86.3Confident1 Ų139.9 Ų39.91%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-134.9127.3175.7-178.50000109.4I77 M78 L79 T80 F104 L109I77-V100 HydrophobicContact CG2-CB 4.46Å; I77-V100 HydrophobicContact CG2-CG2 3.67Å; M78-V100 PolarHBondContact O-N 3.38Å; L79-V100 WeakPolarHBondContact CA-O 3.32Å; L79-V100 HydrophobicContact CD2-CB 4.19Å; T80-V100 WeakPolarHBondContact CG2-O 3.49Å; T80-V100 PolarHBondContact N-O 3.5Å; V100-F104 HydrophobicContact CB-CD1 4.48Å; V100-F104 HydrophobicContact CG1-CB 3.44Å; V100-F104 VanDerWaalsContact CG1-CB 3.44Å; V100-F104 HydrophobicContact CG1-CD1 3.6Å; V100-F104 HydrophobicContact CG1-CG 3.64Å; V100-L109 HydrophobicContact CB-CD1 4.32Å; V100-L109 HydrophobicContact CG1-CD1 4.41Å; V100-L109 HydrophobicContact CG2-CD1 3.88Å
101T87.7Confident86.7Confident41 Ų4139.3 Ų39.325%0.25221%0.209SC..EExtended strand (participates in β ladder)trans-81129.7-179.751.80000112.2T80 Y99 P103 F104T80-T101 HydrophobicContact CG2-CG2 3.91Å; T80-T101 CarbonylContact O-C 3.58Å; T80-T101 WeakPolarHBondContact O-CA 3.49Å; Y99-T101 HydrophobicContact CE2-CG2 4.44Å; T101-P103 CarbonylContact O-C 3.5Å; T101-P103 VanDerWaalsContact O-C 3.26Å; T101-F104 WeakPolarHBondContact O-CB 3.41Å; T101-F104 PolarHBondContact O-N 2.9Å
102K88.7Confident87.2Confident27 Ų2740 Ų4012%0.11721%0.211CC..EExtended strand (participates in β ladder)trans-73.9139.9165.8-68.9179.2177-171.90110.5D9 E11 I14 D53 T80 K82 F104D9-K102 IonicContact OD1-NZ 3.01Å; D9-K102 PolarHBondContact OD1-NZ 3.46Å; D9-K102 WeakPolarHBondContact OD2-CE 3.49Å; D9-K102 IonicContact OD2-NZ 2.98Å; D9-K102 PolarHBondContact OD2-NZ 2.9Å; E11-K102 IonicContact OE1-NZ 3.04Å; E11-K102 PolarHBondContact OE1-NZ 3.46Å; I14-K102 HydrophobicContact CD1-CD 4.23Å; D53-K102 VanDerWaalsContact CG-NZ 3.27Å; D53-K102 IonicContact OD1-NZ 2.94Å; D53-K102 IonicContact OD2-NZ 3.97Å; D53-K102 PolarHBondContact OD2-NZ 2.91Å; T80-K102 PolarHBondContact O-N 3.22Å; K82-K102 PolarHBondContact N-O 3.41Å; K102-F104 HydrophobicContact CG-CD1 3.95Å; K102-F104 HydrophobicContact CG-CE1 3.6Å
103P88Confident87.7Confident124 Ų12439.9 Ų39.981%0.80521%0.21SC*.SBendcis-73.7141.4-12.132.2-33.9000111T101T101-P103 CarbonylContact O-C 3.5Å; T101-P103 VanDerWaalsContact O-C 3.26Å
104F87.6Confident88.1Confident41 Ų4140.8 Ų40.818%0.1821%0.213CC..  trans-116.3160.4179.345-105.2000112.2I14 L18 L79 V100 T101 K102 L109I14-F104 HydrophobicContact CG2-CZ 4.16Å; L18-F104 HydrophobicContact CD1-CZ 4.24Å; L18-F104 HydrophobicContact CD2-CE2 3.74Å; L18-F104 HydrophobicContact CD2-CZ 4.12Å; L79-F104 HydrophobicContact CD1-CE1 4.3Å; L79-F104 HydrophobicContact CD1-CZ 4.38Å; L79-F104 HydrophobicContact CD2-CE1 3.96Å; L79-F104 HydrophobicContact CD2-CZ 4.44Å; V100-F104 HydrophobicContact CB-CD1 4.48Å; V100-F104 HydrophobicContact CG1-CB 3.44Å; V100-F104 VanDerWaalsContact CG1-CB 3.44Å; V100-F104 HydrophobicContact CG1-CD1 3.6Å; V100-F104 HydrophobicContact CG1-CG 3.64Å; T101-F104 WeakPolarHBondContact O-CB 3.41Å; T101-F104 PolarHBondContact O-N 2.9Å; K102-F104 HydrophobicContact CG-CD1 3.95Å; K102-F104 HydrophobicContact CG-CE1 3.6Å; F104-L109 HydrophobicContact CD2-CB 4.32Å; F104-L109 HydrophobicContact CD2-CD2 4.12Å; F104-L109 HydrophobicContact CE2-CD2 3.69Å; F104-L109 HydrophobicContact CZ-CD2 4.09Å
105S87.9Confident88.3Confident65 Ų6539.9 Ų39.946%0.45521%0.211SC..  trans-76.4131.3166.6-1800000110R107 E108 L109S105-R107 PolarHBondContact O-N 3.34Å; S105-R107 VanDerWaalsContact O-N 3.17Å; S105-R107 PolarHBondContact OG-N 3.29Å; S105-E108 WeakPolarHBondContact O-CB 3.43Å; S105-E108 PolarHBondContact O-N 3.31Å; S105-L109 PolarHBondContact O-N 2.94Å
106T88.6Confident88.8Confident43 Ų4339.9 Ų39.926%0.26421%0.211SC..Hα-helixtrans-52.1-38.1170.4-48.40000112N21 L109 I110N21-T106 HydrophobicContact CB-CG2 3.44Å; N21-T106 VanDerWaalsContact CB-CG2 3.44Å; T106-L109 PolarHBondContact O-N 3.49Å; T106-I110 HydrophobicContact CG2-CD1 3.87Å; T106-I110 VanDerWaalsContact O-CG1 3.31Å; T106-I110 WeakPolarHBondContact O-CG1 3.43Å; T106-I110 PolarHBondContact O-N 3.08Å
107R87.4Confident89.3Confident211 Ų21140.3 Ų40.380%0.79621%0.213SC*.Hα-helixtrans-66.8-39.6179.5-174.6178.8176.5-176.8-1.4111.9S105 A111S105-R107 PolarHBondContact O-N 3.34Å; S105-R107 VanDerWaalsContact O-N 3.17Å; S105-R107 PolarHBondContact OG-N 3.29Å; R107-A111 WeakPolarHBondContact O-CB 3.31Å; R107-A111 PolarHBondContact O-N 2.93Å
108E88.6Confident89.4Confident56 Ų5646.5 Ų46.526%0.26224%0.236SC..Hα-helixtrans-63.4-48.2175.7-174.9-167.6159.700110.4S105 I110 A111 R112S105-E108 WeakPolarHBondContact O-CB 3.43Å; S105-E108 PolarHBondContact O-N 3.31Å; E108-I110 PolarHBondContact O-N 3.34Å; E108-A111 WeakPolarHBondContact O-CB 3.4Å; E108-A111 PolarHBondContact O-N 2.96Å; E108-A111 VanDerWaalsContact O-N 3.15Å; E108-R112 WeakPolarHBondContact O-CG 2.99Å; E108-R112 PolarHBondContact O-N 3.5Å; E108-R112 IonicContact OE1-CZ 2.95Å; E108-R112 IonicContact OE1-NE 3.66Å; E108-R112 PolarHBondContact OE1-NE 3.49Å; E108-R112 IonicContact OE1-NH2 2.74Å; E108-R112 PolarHBondContact OE1-NH2 3.1Å
109L92.2Very high89Confident3 Ų347.8 Ų47.82%0.01624%0.241CC..Hα-helixtrans-62.7-44.8-179.2-178.166.5000112.2L18 L51 L79 V100 F104 S105 T106 A111 R112 V113L18-L109 HydrophobicContact CD1-CD2 4.13Å; L18-L109 HydrophobicContact CD2-CD2 3.17Å; L18-L109 HydrophobicContact CG-CD2 4.26Å; L51-L109 HydrophobicContact CD1-CD1 4.28Å; L51-L109 HydrophobicContact CD1-CD2 3.98Å; L51-L109 HydrophobicContact CD1-CG 4.27Å; L51-L109 HydrophobicContact CD2-CD1 4.2Å; L79-L109 HydrophobicContact CD2-CD1 4.14Å; V100-L109 HydrophobicContact CB-CD1 4.32Å; V100-L109 HydrophobicContact CG1-CD1 4.41Å; V100-L109 HydrophobicContact CG2-CD1 3.88Å; F104-L109 HydrophobicContact CD2-CB 4.32Å; F104-L109 HydrophobicContact CD2-CD2 4.12Å; F104-L109 HydrophobicContact CE2-CD2 3.69Å; F104-L109 HydrophobicContact CZ-CD2 4.09Å; S105-L109 PolarHBondContact O-N 2.94Å; T106-L109 PolarHBondContact O-N 3.49Å; L109-A111 VanDerWaalsContact C-N 3.28Å; L109-A111 PolarHBondContact O-N 2.69Å; L109-R112 PolarHBondContact O-N 2.87Å; L109-R112 VanDerWaalsContact O-N 3.14Å; L109-V113 WeakPolarHBondContact O-CG2 3.44Å; L109-V113 PolarHBondContact O-N 3.33Å
110I93.1Very high88.7Confident20 Ų2048.9 Ų48.910%0.10325%0.246CC..Hα-helixtrans-59.6-40.8174.8-71.1166.3000110.9N21 L22 E25 T106 E108 R112 V113 K114N21-I110 HydrophobicContact CB-CD1 4.25Å; L22-I110 HydrophobicContact CD2-CG1 4.45Å; E25-I110 HydrophobicContact CG-CD1 3.85Å; E25-I110 HydrophobicContact CG-CG1 4.33Å; E25-I110 HydrophobicContact CG-CG2 3.89Å; T106-I110 HydrophobicContact CG2-CD1 3.87Å; T106-I110 VanDerWaalsContact O-CG1 3.31Å; T106-I110 WeakPolarHBondContact O-CG1 3.43Å; T106-I110 PolarHBondContact O-N 3.08Å; E108-I110 PolarHBondContact O-N 3.34Å; I110-R112 VanDerWaalsContact C-N 3.32Å; I110-R112 PolarHBondContact O-N 3.48Å; I110-V113 PolarHBondContact O-N 2.79Å; I110-K114 HydrophobicContact CG2-CD 4.14Å; I110-K114 WeakPolarHBondContact O-CB 3.4Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.28Å
111A89Confident88.4Confident53 Ų5352.9 Ų52.944%0.43826%0.262SS..Hα-helixtrans-61.8-41.7176.800000111.3R107 E108 L109 K114 A115R107-A111 WeakPolarHBondContact O-CB 3.31Å; R107-A111 PolarHBondContact O-N 2.93Å; E108-A111 WeakPolarHBondContact O-CB 3.4Å; E108-A111 PolarHBondContact O-N 2.96Å; E108-A111 VanDerWaalsContact O-N 3.15Å; L109-A111 VanDerWaalsContact C-N 3.28Å; L109-A111 PolarHBondContact O-N 2.69Å; A111-K114 PolarHBondContact O-N 2.66Å; A111-A115 VanDerWaalsContact O-CB 3.23Å; A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 2.63Å
112R89.9Confident87.6Confident15 Ų1553.7 Ų53.76%0.05727%0.269CS..Hα-helixtrans-66.4-40.8175.7-69.7175.1-179.5-88.86.2112.8I77 D98 E108 L109 I110 A115 N116I77-R112 HydrophobicContact CD1-CB 4.07Å; D98-R112 IonicContact OD1-NH1 3.33Å; D98-R112 PolarHBondContact OD1-NH1 3.44Å; D98-R112 IonicContact OD2-CZ 3.49Å; D98-R112 IonicContact OD2-NH1 2.8Å; D98-R112 PolarHBondContact OD2-NH1 3.33Å; E108-R112 WeakPolarHBondContact O-CG 2.99Å; E108-R112 PolarHBondContact O-N 3.5Å; E108-R112 IonicContact OE1-CZ 2.95Å; E108-R112 IonicContact OE1-NE 3.66Å; E108-R112 PolarHBondContact OE1-NE 3.49Å; E108-R112 IonicContact OE1-NH2 2.74Å; E108-R112 PolarHBondContact OE1-NH2 3.1Å; L109-R112 PolarHBondContact O-N 2.87Å; L109-R112 VanDerWaalsContact O-N 3.14Å; I110-R112 VanDerWaalsContact C-N 3.32Å; I110-R112 PolarHBondContact O-N 3.48Å; R112-A115 PolarHBondContact O-N 2.99Å; R112-N116 WeakPolarHBondContact O-CB 3.5Å; R112-N116 PolarHBondContact O-N 3.21Å; R112-N116 PolarHBondContact O-ND2 3.05Å
113V93.9Very high86Confident0 Ų059.1 Ų59.10%030%0.295CS..Hα-helixtrans-57.8-53173.51670000110.4L22 Y27 I49 L51 I77 L109 I110 A115 N116 L117L22-V113 HydrophobicContact CD2-CG1 4.33Å; L22-V113 HydrophobicContact CD2-CG2 4.35Å; Y27-V113 HydrophobicContact CE2-CG1 4.23Å; I49-V113 HydrophobicContact CD1-CB 4.44Å; I49-V113 HydrophobicContact CD1-CG1 4.34Å; I49-V113 HydrophobicContact CD1-CG2 4.36Å; I49-V113 HydrophobicContact CG2-CG1 4.29Å; L51-V113 HydrophobicContact CD1-CG2 4.31Å; L51-V113 HydrophobicContact CD2-CG2 3.82Å; I77-V113 HydrophobicContact CD1-CG2 4.19Å; L109-V113 WeakPolarHBondContact O-CG2 3.44Å; L109-V113 PolarHBondContact O-N 3.33Å; I110-V113 PolarHBondContact O-N 2.79Å; V113-A115 VanDerWaalsContact C-N 3.3Å; V113-A115 PolarHBondContact O-N 3.28Å; V113-N116 PolarHBondContact O-N 3.11Å; V113-L117 HydrophobicContact CG1-CD1 3.8Å; V113-L117 HydrophobicContact CG1-CG 4.48Å; V113-L117 WeakPolarHBondContact O-CB 3.41Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 3Å
114K91.4Very high84.1Confident87 Ų8756.2 Ų56.238%0.37828%0.276SS..Hα-helixtrans-58.5-42.1177.7-75178.2-179.8-178.20112.1E25 Y27 I110 A111 R118E25-K114 VanDerWaalsContact OE2-CE 3.3Å; E25-K114 WeakPolarHBondContact OE2-CE 3.47Å; E25-K114 IonicContact OE2-NZ 3.96Å; E25-K114 PolarHBondContact OE2-NZ 2.94Å; Y27-K114 VanDerWaalsContact OH-CG 3.28Å; Y27-K114 WeakPolarHBondContact OH-CG 3.42Å; I110-K114 HydrophobicContact CG2-CD 4.14Å; I110-K114 WeakPolarHBondContact O-CB 3.4Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.28Å; A111-K114 PolarHBondContact O-N 2.66Å; K114-R118 WeakPolarHBondContact O-CB 3.45Å; K114-R118 PolarHBondContact O-N 3.2Å
115A86.9Confident82.1Confident18 Ų1858.8 Ų58.815%0.14931%0.305CS..Hα-helixtrans-68.4-41.4-177.700000112A111 R112 V113 R119A111-A115 VanDerWaalsContact O-CB 3.23Å; A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 2.63Å; R112-A115 PolarHBondContact O-N 2.99Å; V113-A115 VanDerWaalsContact C-N 3.3Å; V113-A115 PolarHBondContact O-N 3.28Å; A115-R119 VanDerWaalsContact C-NH1 3.26Å; A115-R119 WeakPolarHBondContact O-CG 3.4Å; A115-R119 PolarHBondContact O-N 3.28Å; A115-R119 PolarHBondContact O-NH1 2.7Å
116N90.4Very high79.8Confident3 Ų363.6 Ų63.62%0.01632%0.32CS..Hα-helixtrans-69.1-46.1176.5-78.6-63.2000111.8I49 P75 R112 V113 R118 R119 H120 R161I49-N116 HydrophobicContact CD1-CB 3.9Å; P75-N116 HydrophobicContact CB-CB 3.91Å; P75-N116 HydrophobicContact CG-CB 4.29Å; R112-N116 WeakPolarHBondContact O-CB 3.5Å; R112-N116 PolarHBondContact O-N 3.21Å; R112-N116 PolarHBondContact O-ND2 3.05Å; V113-N116 PolarHBondContact O-N 3.11Å; N116-R118 PolarHBondContact O-N 3.09Å; N116-R119 PolarHBondContact O-N 2.97Å; N116-H120 WeakPolarHBondContact O-CB 3.41Å; N116-H120 PolarHBondContact O-N 2.87Å; N116-R161 PolarHBondContact OD1-NE 3.02Å; N116-R161 PolarHBondContact OD1-NH2 2.87Å
117L92.1Very high77.4Confident11 Ų1169.1 Ų69.16%0.05835%0.348CS..Hα-helixtrans-60.5-45.2175.4-74.8174000112.6R3 Y27 D48 I49 V113 R119 H120 Y121R3-L117 HydrophobicContact CB-CD1 4.36Å; Y27-L117 HydrophobicContact CD1-CD1 4.42Å; Y27-L117 HydrophobicContact CE1-CD1 3.54Å; D48-L117 HydrophobicContact CB-CD2 3.64Å; D48-L117 WeakPolarHBondContact O-CD2 3.36Å; I49-L117 HydrophobicContact CB-CD2 3.85Å; I49-L117 HydrophobicContact CB-CG 4.24Å; I49-L117 HydrophobicContact CD1-CG 4.29Å; I49-L117 HydrophobicContact CG2-CD1 4.07Å; I49-L117 HydrophobicContact CG2-CD2 3.85Å; I49-L117 HydrophobicContact CG2-CG 4.02Å; V113-L117 HydrophobicContact CG1-CD1 3.8Å; V113-L117 HydrophobicContact CG1-CG 4.48Å; V113-L117 WeakPolarHBondContact O-CB 3.41Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 3Å; L117-R119 VanDerWaalsContact C-N 3.27Å; L117-R119 PolarHBondContact O-N 2.94Å; L117-H120 PolarHBondContact O-N 2.99Å; L117-Y121 HydrophobicContact CD2-CD2 4.2Å; L117-Y121 HydrophobicContact CD2-CE2 3.79Å; L117-Y121 WeakPolarHBondContact O-CD2 3.43Å; L117-Y121 PolarHBondContact O-N 3.21Å
118R87Confident75.1Confident135 Ų13565.4 Ų65.451%0.50935%0.349SS..Hα-helixtrans-56-46.2178.4-179.9-178.465.3-131.9-1.8110.1K114 N116 S122K114-R118 WeakPolarHBondContact O-CB 3.45Å; K114-R118 PolarHBondContact O-N 3.2Å; N116-R118 PolarHBondContact O-N 3.09Å; R118-S122 WeakPolarHBondContact O-CA 3.46Å; R118-S122 WeakPolarHBondContact O-CB 3.26Å; R118-S122 PolarHBondContact O-N 3.43Å; R118-S122 PolarHBondContact O-OG 3.06Å
119R80.5Confident72.7Confident28 Ų2865.1 Ų65.111%0.10636%0.362CS..Hα-helixtrans-68.9-50.6-177.6-71.2-178.9-16694.63.9111.6A115 N116 L117 Y121 S122 H160 V186 W187A115-R119 VanDerWaalsContact C-NH1 3.26Å; A115-R119 WeakPolarHBondContact O-CG 3.4Å; A115-R119 PolarHBondContact O-N 3.28Å; A115-R119 PolarHBondContact O-NH1 2.7Å; N116-R119 PolarHBondContact O-N 2.97Å; L117-R119 VanDerWaalsContact C-N 3.27Å; L117-R119 PolarHBondContact O-N 2.94Å; R119-Y121 PolarHBondContact O-N 3.48Å; R119-Y121 VanDerWaalsContact O-N 3.08Å; R119-S122 PolarHBondContact O-N 3.45Å; R119-H160 PolarHBondContact O-CE1 2.98Å; R119-H160 PolarHBondContact O-NE2 3.16Å; R119-V186 WeakPolarHBondContact CD-O 3.48Å; R119-V186 PolarHBondContact NE-O 3.01Å; R119-V186 VanDerWaalsContact NE-O 3.09Å; R119-W187 PolarHBondContact NH1-O 3.39Å; R119-W187 VanDerWaalsContact NH1-O 3.14Å; R119-W187 PolarHBondContact NH2-O 3.07Å
120H83.3Confident70.3Confident45 Ų4573.8 Ų73.821%0.20841%0.408CS..Hα-helixtrans-54.7-35.4-179.4-167.780.8000113.1E73 P75 N116 L117 H160E73-H120 PolarHBondContact O-CE1 2.89Å; P75-H120 HydrophobicContact CG-CB 3.7Å; N116-H120 WeakPolarHBondContact O-CB 3.41Å; N116-H120 PolarHBondContact O-N 2.87Å; L117-H120 PolarHBondContact O-N 2.99Å; H120-H160 PolarHBondContact N-NE2 2.97Å; H120-H160 AromaticContact ND1-CG 3.95Å
121Y82.4Confident68Low84 Ų8478 Ų7833%0.32943%0.434SS..Hα-helixtrans-108.1-2.3-178.9-64.4-71.8000115.7D48 L117 R119 Q123D48-Y121 WeakPolarHBondContact CA-OH 3.33Å; D48-Y121 HydrophobicContact CB-CE2 3.85Å; D48-Y121 WeakPolarHBondContact CB-OH 3.34Å; D48-Y121 PolarHBondContact OD1-OH 3.04Å; L117-Y121 HydrophobicContact CD2-CD2 4.2Å; L117-Y121 HydrophobicContact CD2-CE2 3.79Å; L117-Y121 WeakPolarHBondContact O-CD2 3.43Å; L117-Y121 PolarHBondContact O-N 3.21Å; R119-Y121 PolarHBondContact O-N 3.48Å; R119-Y121 VanDerWaalsContact O-N 3.08Å; Y121-Q123 VanDerWaalsContact C-N 3.31Å; Y121-Q123 PolarHBondContact O-N 3.41Å
122S70.6Confident66.5Low59 Ų5980.1 Ų80.141%0.41344%0.442SS..  trans-77.887.9173.8-69.40000108.2R118 R119 Y147R118-S122 WeakPolarHBondContact O-CA 3.46Å; R118-S122 WeakPolarHBondContact O-CB 3.26Å; R118-S122 PolarHBondContact O-N 3.43Å; R118-S122 PolarHBondContact O-OG 3.06Å; R119-S122 PolarHBondContact O-N 3.45Å; S122-Y147 PolarHBondContact O-OH 2.96Å
123Q55.8Low65.9Low141 Ų14183.8 Ų83.866%0.65946%0.463SS*.PPolyproline II helixtrans-58.7135.1157.6-71.3-179.7-1900107.7Y121 A125Y121-Q123 VanDerWaalsContact C-N 3.31Å; Y121-Q123 PolarHBondContact O-N 3.41Å; Q123-A125 PolarHBondContact O-N 3.15Å
124P48.2Very low65.5Low62 Ų6287.7 Ų87.740%0.40348%0.481SS..PPolyproline II helixtrans-52.8130.4165.3-17.229.8000106.5Q126 Y147P124-Q126 PolarHBondContact O-N 2.97Å; P124-Y147 WeakPolarHBondContact CD-OH 3.49Å
125A45.1Very low65.5Low95 Ų9585.4 Ų85.479%0.78547%0.473SS*.PPolyproline II helixtrans-47.7120.3174.600000107.3Q123 D127Q123-A125 PolarHBondContact O-N 3.15Å; A125-D127 VanDerWaalsContact C-N 3.29Å; A125-D127 PolarHBondContact O-N 3.48Å
126Q38.9Very low65.7Low166 Ų16689.2 Ų89.278%0.77649%0.494SS*.  trans-53.596179.1-68.3-174.6-9.400108.3P124 T128P124-Q126 PolarHBondContact O-N 2.97Å; Q126-T128 PolarHBondContact O-N 2.98Å; Q126-T128 VanDerWaalsContact O-N 3.12Å
127D38.7Very low65.8Low159 Ų15989.2 Ų89.285%0.8549%0.494SS*.  trans-76.5102.5164.3-124.5-16.9000104.6A125 G129A125-D127 VanDerWaalsContact C-N 3.29Å; A125-D127 PolarHBondContact O-N 3.48Å; D127-G129 VanDerWaalsContact C-N 3.29Å; D127-G129 PolarHBondContact O-N 3.01Å
128T38.5Very low65.8Low133 Ų13393.1 Ų93.182%0.81651%0.51SS*.  trans-62.988.2-179.3510000109.4Q126Q126-T128 PolarHBondContact O-N 2.98Å; Q126-T128 VanDerWaalsContact O-N 3.12Å
129G39.6Very low66.1Low51 Ų5189.4 Ų89.453%0.52650%0.501SS..  trans-153.1122.6172.400000108.4D127 V131D127-G129 VanDerWaalsContact C-N 3.29Å; D127-G129 PolarHBondContact O-N 3.01Å; G129-V131 PolarHBondContact O-N 2.61Å
130N41.3Very low66.8Low184 Ų18488 Ų8898%0.98450%0.495SS*.  trans-65.733.7-177.9-112.61.5000114.3
131V45.1Very low67.3Low109 Ų10987.4 Ų87.466%0.66149%0.494SS*.  trans-93.9110.9168.1-173.90000105.1G129 N133G129-V131 PolarHBondContact O-N 2.61Å; V131-N133 PolarHBondContact O-N 2.9Å
132T56.2Low67.8Low97 Ų9783.4 Ų83.460%0.59548%0.479SS*.  trans-57.6111.4168.347.10000106.7E134T132-E134 WeakPolarHBondContact CB-OE1 3.45Å; T132-E134 WeakPolarHBondContact CG2-OE1 3.34Å; T132-E134 PolarHBondContact O-N 2.98Å
133N77Confident68.7Low93 Ų9383.4 Ų83.450%0.49747%0.47SS..  trans-69.424.7174-81.8-29.5000111.6V131 P144V131-N133 PolarHBondContact O-N 2.9Å; N133-P144 HydrophobicContact CB-CG 4.41Å; N133-P144 WeakPolarHBondContact O-CD 3.31Å; N133-P144 VanDerWaalsContact O-CG 3.23Å; N133-P144 WeakPolarHBondContact O-CG 3.48Å
134E87Confident70.3Confident81 Ų8177.1 Ų77.138%0.37944%0.442SS..  trans-68.5133.7-176-71.5170.9-149.400109.7T132 V141 I142 Y143T132-E134 WeakPolarHBondContact CB-OE1 3.45Å; T132-E134 WeakPolarHBondContact CG2-OE1 3.34Å; T132-E134 PolarHBondContact O-N 2.98Å; E134-V141 HydrophobicContact CB-CG1 4.26Å; E134-V141 HydrophobicContact CG-CG1 4.46Å; E134-I142 VanDerWaalsContact CA-O 3.27Å; E134-I142 WeakPolarHBondContact CA-O 3.15Å; E134-Y143 HydrophobicContact CG-CD1 3.5Å; E134-Y143 VanDerWaalsContact CG-CD1 3.5Å; E134-Y143 HydrophobicContact CG-CE1 3.63Å; E134-Y143 HydrophobicContact CG-CG 4.41Å; E134-Y143 VanDerWaalsContact OE1-CE1 3.28Å; E134-Y143 WeakPolarHBondContact OE1-CE1 3.49Å
135I90.2Very high71.9Confident40 Ų4078.5 Ų78.521%0.20545%0.446CS..EExtended strand (participates in β ladder)trans-112.4115.3177.5-53.9171.9000106.9I137 I142 P144 K171I135-I137 HydrophobicContact CG2-CD1 4.1Å; I135-I137 HydrophobicContact CG2-CG1 4.06Å; I135-I142 HydrophobicContact CB-CB 4.2Å; I135-I142 HydrophobicContact CB-CD1 4.24Å; I135-I142 HydrophobicContact CG2-CD1 4.42Å; I135-I142 PolarHBondContact N-O 3.07Å; I135-I142 VanDerWaalsContact N-O 3.1Å; I135-I142 PolarHBondContact O-N 3.37Å; I135-P144 HydrophobicContact CD1-CG 4.48Å; I135-K171 HydrophobicContact CD1-CG 4.37Å
136T92.2Very high73.7Confident97 Ų9777.2 Ų77.260%0.59544%0.435SS*.EExtended strand (participates in β ladder)trans-99.1129.6178-55.80000110.5I140 V141T136-I140 CarbonylContact C-O 3.57Å; T136-I140 WeakPolarHBondContact CA-O 3.47Å; T136-V141 HydrophobicContact CG2-CG2 4.4Å
137I91.9Very high76Confident3 Ų372.6 Ų72.62%0.01541%0.411CS..EExtended strand (participates in β ladder)trans-137.899-178.3-53.5178.2000107.8I135 D139 I140 I142 M173 Y218 L229I135-I137 HydrophobicContact CG2-CD1 4.1Å; I135-I137 HydrophobicContact CG2-CG1 4.06Å; I137-D139 PolarHBondContact O-N 3.14Å; I137-I140 PolarHBondContact N-O 3.22Å; I137-I140 WeakPolarHBondContact O-CB 3.47Å; I137-I140 PolarHBondContact O-N 2.93Å; I137-I142 HydrophobicContact CD1-CD1 4.11Å; I137-M173 HydrophobicContact CB-CE 4.35Å; I137-M173 HydrophobicContact CD1-CE 3.88Å; I137-M173 HydrophobicContact CD1-SD 3.69Å; I137-M173 HydrophobicContact CG1-CE 3.97Å; I137-M173 HydrophobicContact CG1-SD 3.93Å; I137-M173 HydrophobicContact CG2-CE 3.54Å; I137-Y218 HydrophobicContact CG2-CD1 4.12Å; I137-Y218 HydrophobicContact CG2-CE1 4.25Å; I137-L229 HydrophobicContact CD1-CD2 3.34Å
138K91.9Very high78.4Confident93 Ų9366.7 Ų66.740%0.40438%0.382SS..THydrogen-bonded Turntrans52.1-113-174.3-170-176.1174.6-169.20110.2I140 E217 Y218 H232K138-I140 VanDerWaalsContact C-N 3.33Å; K138-E217 IonicContact NZ-OE2 2.69Å; K138-E217 PolarHBondContact NZ-OE2 3.16Å; K138-Y218 HydrophobicContact CB-CE1 3.96Å; K138-Y218 HydrophobicContact CD-CE1 4.27Å; K138-Y218 WeakPolarHBondContact CD-OH 3.42Å; K138-H232 HydrophobicContact CB-CB 4.4Å
139D93.1Very high81Confident57 Ų5760.4 Ų60.431%0.30534%0.344SS..THydrogen-bonded Turntrans-88.5-1.4-177.8-57.5-27.3000113.1I137 K151 R152I137-D139 PolarHBondContact O-N 3.14Å; D139-K151 HydrophobicContact CB-CG 4.38Å; D139-K151 CarbonylContact O-C 3.43Å; D139-K151 WeakPolarHBondContact O-CA 3.2Å; D139-R152 HydrophobicContact CB-CG 3.74Å; D139-R152 PolarHBondContact O-N 3.37Å; D139-R152 IonicContact OD2-CZ 2.63Å; D139-R152 IonicContact OD2-NE 3.04Å; D139-R152 PolarHBondContact OD2-NE 3.07Å; D139-R152 IonicContact OD2-NH2 3.84Å; D139-R152 PolarHBondContact OD2-NH2 3.35Å
140I95.3Very high83.6Confident0 Ų061 Ų610%033%0.332CS..EExtended strand (participates in β ladder)trans-103.1133.9-173.8-60175.9000110.5T136 I137 K138 I142 I149 K150 K151 F166 I209 Y218T136-I140 CarbonylContact C-O 3.57Å; T136-I140 WeakPolarHBondContact CA-O 3.47Å; I137-I140 PolarHBondContact N-O 3.22Å; I137-I140 WeakPolarHBondContact O-CB 3.47Å; I137-I140 PolarHBondContact O-N 2.93Å; K138-I140 VanDerWaalsContact C-N 3.33Å; I140-I142 HydrophobicContact CG2-CG1 4.24Å; I140-I149 HydrophobicContact CG2-CG2 3.4Å; I140-I149 VanDerWaalsContact CG2-CG2 3.4Å; I140-K150 CarbonylContact C-O 3.46Å; I140-K150 VanDerWaalsContact CA-O 3.24Å; I140-K150 WeakPolarHBondContact CA-O 3.22Å; I140-K151 HydrophobicContact CG1-CB 4.19Å; I140-K151 HydrophobicContact CG1-CD 4.44Å; I140-K151 HydrophobicContact CG1-CG 4.06Å; I140-F166 HydrophobicContact CD1-CZ 3.93Å; I140-F166 HydrophobicContact CG2-CE1 4.13Å; I140-F166 HydrophobicContact CG2-CZ 4.34Å; I140-I209 HydrophobicContact CD1-CG2 3.32Å; I140-Y218 HydrophobicContact CD1-CD1 3.57Å; I140-Y218 HydrophobicContact CD1-CD2 4.07Å; I140-Y218 HydrophobicContact CD1-CE1 3.41Å; I140-Y218 VanDerWaalsContact CD1-CE1 3.41Å; I140-Y218 HydrophobicContact CD1-CE2 3.97Å; I140-Y218 HydrophobicContact CD1-CG 3.89Å; I140-Y218 HydrophobicContact CG1-CD1 4.47Å; I140-Y218 HydrophobicContact CG1-CE1 3.85Å
141V93.9Very high86.2Confident31 Ų3153.5 Ų53.519%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-119.7123.9168.8-173.10000108.5E134 T136 Y143 I149 K150E134-V141 HydrophobicContact CB-CG1 4.26Å; E134-V141 HydrophobicContact CG-CG1 4.46Å; T136-V141 HydrophobicContact CG2-CG2 4.4Å; V141-Y143 HydrophobicContact CB-CE2 4.01Å; V141-Y143 HydrophobicContact CG1-CD2 4.39Å; V141-Y143 HydrophobicContact CG1-CE1 4.11Å; V141-Y143 HydrophobicContact CG1-CE2 3.72Å; V141-I149 WeakPolarHBondContact O-CA 3.26Å; V141-K150 PolarHBondContact N-O 3.47Å; V141-K150 PolarHBondContact O-N 3.14Å
142I93.7Very high88.6Confident0 Ų055.5 Ų55.50%029%0.286CS..EExtended strand (participates in β ladder)trans-98.5133.3176.3-51.2173.9000107.7E134 I135 I137 I140 P144 I149 F163 F166 S170E134-I142 VanDerWaalsContact CA-O 3.27Å; E134-I142 WeakPolarHBondContact CA-O 3.15Å; I135-I142 HydrophobicContact CB-CB 4.2Å; I135-I142 HydrophobicContact CB-CD1 4.24Å; I135-I142 HydrophobicContact CG2-CD1 4.42Å; I135-I142 PolarHBondContact N-O 3.07Å; I135-I142 VanDerWaalsContact N-O 3.1Å; I135-I142 PolarHBondContact O-N 3.37Å; I137-I142 HydrophobicContact CD1-CD1 4.11Å; I140-I142 HydrophobicContact CG2-CG1 4.24Å; I142-P144 HydrophobicContact CG2-CG 4.34Å; I142-P144 VanDerWaalsContact O-CD 3.3Å; I142-P144 WeakPolarHBondContact O-CD 3.22Å; I142-I149 HydrophobicContact CB-CG1 4.46Å; I142-I149 HydrophobicContact CG1-CD1 4.18Å; I142-I149 HydrophobicContact CG1-CG1 4.3Å; I142-I149 HydrophobicContact CG2-CD1 4.35Å; I142-I149 HydrophobicContact CG2-CG1 4.15Å; I142-F163 HydrophobicContact CG2-CE2 3.97Å; I142-F163 HydrophobicContact CG2-CZ 4.19Å; I142-F166 HydrophobicContact CD1-CD1 3.77Å; I142-F166 HydrophobicContact CD1-CE1 3.54Å; I142-F166 HydrophobicContact CG1-CD1 4.28Å; I142-F166 HydrophobicContact CG1-CE1 3.92Å; I142-S170 VanDerWaalsContact CD1-OG 3.24Å; I142-S170 WeakPolarHBondContact CD1-OG 3.32Å
143Y90.1Very high90.3Very high59 Ų5953.7 Ų53.723%0.23129%0.287CS..EExtended strand (participates in β ladder)trans-112.587.2173.3-59.2-89.9000109.1E134 V141 D145 A146 Y147 S148 K150E134-Y143 HydrophobicContact CG-CD1 3.5Å; E134-Y143 VanDerWaalsContact CG-CD1 3.5Å; E134-Y143 HydrophobicContact CG-CE1 3.63Å; E134-Y143 HydrophobicContact CG-CG 4.41Å; E134-Y143 VanDerWaalsContact OE1-CE1 3.28Å; E134-Y143 WeakPolarHBondContact OE1-CE1 3.49Å; V141-Y143 HydrophobicContact CB-CE2 4.01Å; V141-Y143 HydrophobicContact CG1-CD2 4.39Å; V141-Y143 HydrophobicContact CG1-CE1 4.11Å; V141-Y143 HydrophobicContact CG1-CE2 3.72Å; Y143-D145 VanDerWaalsContact C-N 3.29Å; Y143-D145 PolarHBondContact O-N 2.88Å; Y143-A146 CarbonylContact O-C 3.19Å; Y143-A146 PolarHBondContact O-N 2.95Å; Y143-A146 VanDerWaalsContact O-N 3.1Å; Y143-Y147 PolarHBondContact O-N 2.94Å; Y143-S148 PolarHBondContact N-O 2.69Å; Y143-S148 PolarHBondContact O-N 3.36Å; Y143-K150 HydrophobicContact CE2-CB 4.29Å; Y143-K150 HydrophobicContact CE2-CD 3.93Å; Y143-K150 HydrophobicContact CE2-CG 3.98Å
144P88.2Confident91.1Very high10 Ų1056.4 Ų56.47%0.06530%0.297CS..G310 helixtrans-50.6-45.5-176.6-33.941.3000114.5N133 I135 I142 A146 Y147N133-P144 HydrophobicContact CB-CG 4.41Å; N133-P144 WeakPolarHBondContact O-CD 3.31Å; N133-P144 VanDerWaalsContact O-CG 3.23Å; N133-P144 WeakPolarHBondContact O-CG 3.48Å; I135-P144 HydrophobicContact CD1-CG 4.48Å; I142-P144 HydrophobicContact CG2-CG 4.34Å; I142-P144 VanDerWaalsContact O-CD 3.3Å; I142-P144 WeakPolarHBondContact O-CD 3.22Å; P144-A146 VanDerWaalsContact C-N 3.28Å; P144-A146 PolarHBondContact O-N 3.39Å; P144-Y147 PolarHBondContact O-N 2.97Å
145D82.3Confident91.4Very high90 Ų9057.5 Ų57.548%0.48131%0.305SS..G310 helixtrans-75.2-23-174.2-55.4-37.5000112.2Y143Y143-D145 VanDerWaalsContact C-N 3.29Å; Y143-D145 PolarHBondContact O-N 2.88Å
146A83.4Confident91.6Very high69 Ų6956.9 Ų56.957%0.5730%0.302SS*.G310 helixtrans-96.3-217700000113.2Y143 P144 S148Y143-A146 CarbonylContact O-C 3.19Å; Y143-A146 PolarHBondContact O-N 2.95Å; Y143-A146 VanDerWaalsContact O-N 3.1Å; P144-A146 VanDerWaalsContact C-N 3.28Å; P144-A146 PolarHBondContact O-N 3.39Å; A146-S148 PolarHBondContact O-N 2.88Å; A146-S148 VanDerWaalsContact O-N 3.14Å
147Y86.4Confident91.4Very high69 Ų6959.7 Ų59.727%0.27131%0.308SS..THydrogen-bonded Turntrans52.330.9-175.3-74-98.5000113.9S122 P124 Y143 P144 H160 F163S122-Y147 PolarHBondContact O-OH 2.96Å; P124-Y147 WeakPolarHBondContact CD-OH 3.49Å; Y143-Y147 PolarHBondContact O-N 2.94Å; P144-Y147 PolarHBondContact O-N 2.97Å; Y147-H160 AromaticContact CD1-CE1 3.61Å; Y147-H160 AromaticContact CD1-ND1 3.65Å; Y147-H160 AromaticContact CE1-CE1 3.25Å; Y147-H160 WeakPolarHBondContact CE1-CE1 3.48Å; Y147-H160 AromaticContact CE1-ND1 3.8Å; Y147-F163 VanDerWaalsContact C-CD2 3.49Å; Y147-F163 AromaticContact CD1-CD1 3.39Å; Y147-F163 HydrophobicContact CD1-CD1 3.39Å; Y147-F163 AromaticContact CD1-CE1 3.45Å; Y147-F163 HydrophobicContact CD1-CE1 3.45Å; Y147-F163 VanDerWaalsContact CD1-CE1 3.45Å; Y147-F163 HydrophobicContact CD1-CG 4.31Å; Y147-F163 HydrophobicContact CD1-CZ 4.42Å; Y147-F163 HydrophobicContact CE1-CD1 4.03Å; Y147-F163 AromaticContact CE1-CE1 3.94Å; Y147-F163 HydrophobicContact CE1-CE1 3.94Å; Y147-F163 HydrophobicContact CG-CD1 4.17Å; Y147-F163 AromaticContact CG-CE1 3.98Å; Y147-F163 HydrophobicContact CG-CE1 3.98Å; Y147-F163 WeakPolarHBondContact O-CD2 3.29Å
148S89.2Confident91.3Very high34 Ų3460.1 Ų60.124%0.23831%0.31CS..EExtended strand (participates in β ladder)trans-127.4156.1-173.967.80000112.3Y143 A146Y143-S148 PolarHBondContact N-O 2.69Å; Y143-S148 PolarHBondContact O-N 3.36Å; A146-S148 PolarHBondContact O-N 2.88Å; A146-S148 VanDerWaalsContact O-N 3.14Å
149I93.5Very high91.1Very high1 Ų156.1 Ų56.11%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-133.8137.6178.4-60.5-171.7000108.4I140 V141 I142 I156 L158 F163 F166I140-I149 HydrophobicContact CG2-CG2 3.4Å; I140-I149 VanDerWaalsContact CG2-CG2 3.4Å; V141-I149 WeakPolarHBondContact O-CA 3.26Å; I142-I149 HydrophobicContact CB-CG1 4.46Å; I142-I149 HydrophobicContact CG1-CD1 4.18Å; I142-I149 HydrophobicContact CG1-CG1 4.3Å; I142-I149 HydrophobicContact CG2-CD1 4.35Å; I142-I149 HydrophobicContact CG2-CG1 4.15Å; I149-I156 PolarHBondContact O-N 2.99Å; I149-L158 HydrophobicContact CB-CD1 4.28Å; I149-L158 HydrophobicContact CD1-CD1 3.63Å; I149-L158 HydrophobicContact CG1-CD1 4.08Å; I149-F163 HydrophobicContact CD1-CD2 4Å; I149-F163 HydrophobicContact CD1-CE2 4.21Å; I149-F163 HydrophobicContact CG1-CD2 3.82Å; I149-F163 HydrophobicContact CG1-CE2 3.8Å; I149-F166 HydrophobicContact CD1-CB 4.29Å; I149-F166 HydrophobicContact CD1-CD1 3.24Å; I149-F166 HydrophobicContact CD1-CE1 3.77Å; I149-F166 HydrophobicContact CD1-CG 4.01Å
150K94.3Very high90.7Very high64 Ų6454.1 Ų54.128%0.27828%0.283SS..EExtended strand (participates in β ladder)trans-114.8141.1170.8-68.7-175.1171.7-172.40110.8I140 V141 Y143 E154 D155I140-K150 CarbonylContact C-O 3.46Å; I140-K150 VanDerWaalsContact CA-O 3.24Å; I140-K150 WeakPolarHBondContact CA-O 3.22Å; V141-K150 PolarHBondContact N-O 3.47Å; V141-K150 PolarHBondContact O-N 3.14Å; Y143-K150 HydrophobicContact CE2-CB 4.29Å; Y143-K150 HydrophobicContact CE2-CD 3.93Å; Y143-K150 HydrophobicContact CE2-CG 3.98Å; K150-E154 CarbonylContact C-O 3.13Å; K150-E154 WeakPolarHBondContact CA-O 3.15Å; K150-D155 WeakPolarHBondContact CE-OD1 3.42Å; K150-D155 WeakPolarHBondContact CE-OD2 3.44Å; K150-D155 VanDerWaalsContact CG-OD1 3.32Å; K150-D155 WeakPolarHBondContact CG-OD1 3.33Å; K150-D155 IonicContact NZ-OD1 3.96Å; K150-D155 IonicContact NZ-OD2 3.21Å
151K95.8Very high90.4Very high26 Ų2654.4 Ų54.411%0.11328%0.284CS..EExtended strand (participates in β ladder)trans-123124.4168.4-178.2-179.5171-165.70108.9D139 I140 G153 E154 I156 I209 D211D139-K151 HydrophobicContact CB-CG 4.38Å; D139-K151 CarbonylContact O-C 3.43Å; D139-K151 WeakPolarHBondContact O-CA 3.2Å; I140-K151 HydrophobicContact CG1-CB 4.19Å; I140-K151 HydrophobicContact CG1-CD 4.44Å; I140-K151 HydrophobicContact CG1-CG 4.06Å; K151-G153 PolarHBondContact O-N 2.91Å; K151-G153 VanDerWaalsContact O-N 3.15Å; K151-E154 PolarHBondContact N-O 2.69Å; K151-E154 PolarHBondContact O-N 2.81Å; K151-I156 HydrophobicContact CB-CD1 3.55Å; K151-I156 HydrophobicContact CB-CG1 4.17Å; K151-I156 HydrophobicContact CD-CD1 4.24Å; K151-I209 WeakPolarHBondContact CD-O 3.28Å; K151-I209 WeakPolarHBondContact CE-O 3.33Å; K151-I209 PolarHBondContact NZ-O 3.16Å; K151-D211 WeakPolarHBondContact CE-OD1 3.15Å; K151-D211 IonicContact NZ-OD1 3.98Å; K151-D211 PolarHBondContact NZ-OD1 2.78Å
152R95.1Very high90.3Very high151 Ų15153.1 Ų53.157%0.5728%0.276SS*.THydrogen-bonded Turntrans53.532.9-175.5-58.5-177.9-178.4169.512113.1D139 E154 D211D139-R152 HydrophobicContact CB-CG 3.74Å; D139-R152 PolarHBondContact O-N 3.37Å; D139-R152 IonicContact OD2-CZ 2.63Å; D139-R152 IonicContact OD2-NE 3.04Å; D139-R152 PolarHBondContact OD2-NE 3.07Å; D139-R152 IonicContact OD2-NH2 3.84Å; D139-R152 PolarHBondContact OD2-NH2 3.35Å; R152-E154 VanDerWaalsContact C-N 3.3Å; R152-E154 PolarHBondContact O-N 3.48Å; R152-D211 IonicContact CZ-OD2 3.73Å; R152-D211 IonicContact NH1-OD2 3.91Å; R152-D211 IonicContact NH2-OD1 2.8Å; R152-D211 IonicContact NH2-OD2 3.76Å; R152-D211 PolarHBondContact NH2-OD2 2.9Å
153G91.8Very high90.3Very high60 Ų6053.2 Ų53.262%0.61928%0.276SS*.THydrogen-bonded Turntrans84.6-7.418000000115.4K151K151-G153 PolarHBondContact O-N 2.91Å; K151-G153 VanDerWaalsContact O-N 3.15Å
154E94.1Very high90.4Very high150 Ų15052.2 Ų52.270%0.70127%0.274SS*.EExtended strand (participates in β ladder)trans-94.3135.9178.2-61.6-17617300110.7K150 K151 R152K150-E154 CarbonylContact C-O 3.13Å; K150-E154 WeakPolarHBondContact CA-O 3.15Å; K151-E154 PolarHBondContact N-O 2.69Å; K151-E154 PolarHBondContact O-N 2.81Å; R152-E154 VanDerWaalsContact C-N 3.3Å; R152-E154 PolarHBondContact O-N 3.48Å
155D92.9Very high90.7Very high103 Ų10351.8 Ų51.855%0.55127%0.271SS*.EExtended strand (participates in β ladder)trans-66.5134.3175.7-72.9-62.9000110.8K150K150-D155 WeakPolarHBondContact CE-OD1 3.42Å; K150-D155 WeakPolarHBondContact CE-OD2 3.44Å; K150-D155 VanDerWaalsContact CG-OD1 3.32Å; K150-D155 WeakPolarHBondContact CG-OD1 3.33Å; K150-D155 IonicContact NZ-OD1 3.96Å; K150-D155 IonicContact NZ-OD2 3.21Å
156I93.5Very high91.4Very high28 Ų2847.5 Ų47.514%0.14425%0.248CC..EExtended strand (participates in β ladder)trans-101.7119.5171.2-59.5-177.7000108.3I149 K151 L158 K208 I209I149-I156 PolarHBondContact O-N 2.99Å; K151-I156 HydrophobicContact CB-CD1 3.55Å; K151-I156 HydrophobicContact CB-CG1 4.17Å; K151-I156 HydrophobicContact CD-CD1 4.24Å; I156-L158 HydrophobicContact CG2-CD2 3.69Å; I156-L158 HydrophobicContact CG2-CG 3.93Å; I156-L158 PolarHBondContact O-N 3.21Å; I156-K208 HydrophobicContact CG2-CB 3.99Å; I156-I209 HydrophobicContact CD1-CG1 4.04Å
157E88.4Confident92Very high156 Ų15645.5 Ų45.573%0.72923%0.227SC*.  trans-72111.4174.3-67-179.9177.800110.8K208E157-K208 WeakPolarHBondContact O-CD 3.22Å; E157-K208 PolarHBondContact O-NZ 3.11Å
158L90.6Very high92.4Very high11 Ų1144.3 Ų44.36%0.05822%0.222CC..  trans-123.5138.2-178.7-64.4-176.8000109.5I149 I156 E162 F163 L205 K208I149-L158 HydrophobicContact CB-CD1 4.28Å; I149-L158 HydrophobicContact CD1-CD1 3.63Å; I149-L158 HydrophobicContact CG1-CD1 4.08Å; I156-L158 HydrophobicContact CG2-CD2 3.69Å; I156-L158 HydrophobicContact CG2-CG 3.93Å; I156-L158 PolarHBondContact O-N 3.21Å; L158-E162 WeakPolarHBondContact CA-OE2 3.5Å; L158-E162 HydrophobicContact CB-CB 4.08Å; L158-E162 HydrophobicContact CD2-CB 4.15Å; L158-F163 HydrophobicContact CB-CB 4.4Å; L158-L205 HydrophobicContact CD1-CD2 4.29Å; L158-L205 HydrophobicContact CD2-CD2 4.01Å; L158-K208 HydrophobicContact CD2-CB 4.31Å; L158-K208 HydrophobicContact CD2-CD 3.62Å
159T87.4Confident92.8Very high9 Ų942.7 Ų42.76%0.05521%0.211CC..  trans-63.4158.5164.776.40000109.4R161 E162 F163T159-R161 PolarHBondContact O-N 3.33Å; T159-R161 VanDerWaalsContact O-N 3.1Å; T159-R161 PolarHBondContact OG1-N 3.34Å; T159-E162 PolarHBondContact N-OE2 2.65Å; T159-E162 WeakPolarHBondContact O-CB 3.48Å; T159-E162 PolarHBondContact O-N 3.01Å; T159-E162 VanDerWaalsContact O-N 3.08Å; T159-E162 WeakPolarHBondContact OG1-CG 3.48Å; T159-E162 PolarHBondContact OG1-N 2.72Å; T159-F163 PolarHBondContact O-N 3.41Å
160H84.9Confident92.8Very high16 Ų1643 Ų437%0.07421%0.213CC..Hα-helixtrans-52.7-37176.8-173.683.6000112.6R119 H120 Y147 F163 E164R119-H160 PolarHBondContact O-CE1 2.98Å; R119-H160 PolarHBondContact O-NE2 3.16Å; H120-H160 PolarHBondContact N-NE2 2.97Å; H120-H160 AromaticContact ND1-CG 3.95Å; Y147-H160 AromaticContact CD1-CE1 3.61Å; Y147-H160 AromaticContact CD1-ND1 3.65Å; Y147-H160 AromaticContact CE1-CE1 3.25Å; Y147-H160 WeakPolarHBondContact CE1-CE1 3.48Å; Y147-H160 AromaticContact CE1-ND1 3.8Å; H160-F163 PolarHBondContact O-N 3.26Å; H160-E164 IonicContact CD2-OE1 2.65Å; H160-E164 IonicContact CD2-OE2 3.51Å; H160-E164 VanDerWaalsContact NE2-CD 3.28Å; H160-E164 IonicContact NE2-OE1 2.78Å; H160-E164 PolarHBondContact NE2-OE1 2.95Å; H160-E164 IonicContact NE2-OE2 3.92Å; H160-E164 WeakPolarHBondContact O-CB 3.3Å; H160-E164 WeakPolarHBondContact O-CG 3.42Å; H160-E164 PolarHBondContact O-N 3.21Å
161R87.9Confident92.8Very high6 Ų646.3 Ų46.32%0.02323%0.227CC..Hα-helixtrans-70.6-41.1178.1-67.1-52.7-167.8164.112.6114D97 N116 T159 F163 E164 L165 V186 W187D97-R161 HydrophobicContact CB-CG 3.81Å; D97-R161 VanDerWaalsContact OD1-CG 3.29Å; D97-R161 WeakPolarHBondContact OD1-CG 3.48Å; N116-R161 PolarHBondContact OD1-NE 3.02Å; N116-R161 PolarHBondContact OD1-NH2 2.87Å; T159-R161 PolarHBondContact O-N 3.33Å; T159-R161 VanDerWaalsContact O-N 3.1Å; T159-R161 PolarHBondContact OG1-N 3.34Å; R161-F163 VanDerWaalsContact C-N 3.31Å; R161-E164 IonicContact CZ-OE2 2.69Å; R161-E164 IonicContact NH1-OE2 3.89Å; R161-E164 PolarHBondContact NH1-OE2 3.3Å; R161-E164 PolarHBondContact O-N 2.73Å; R161-L165 WeakPolarHBondContact O-CB 3.4Å; R161-L165 PolarHBondContact O-N 3.17Å; R161-V186 PolarHBondContact NH1-O 3.41Å; R161-W187 HydrophobicContact CB-CZ2 4.3Å
162E93Very high92.7Very high3 Ų347.6 Ų47.61%0.01423%0.234CC..Hα-helixtrans-61-46.7174.4-70.7169.1165.500109.8L158 T159 L165 F166 T201 R204 L205 K208L158-E162 WeakPolarHBondContact CA-OE2 3.5Å; L158-E162 HydrophobicContact CB-CB 4.08Å; L158-E162 HydrophobicContact CD2-CB 4.15Å; T159-E162 PolarHBondContact N-OE2 2.65Å; T159-E162 WeakPolarHBondContact O-CB 3.48Å; T159-E162 PolarHBondContact O-N 3.01Å; T159-E162 VanDerWaalsContact O-N 3.08Å; T159-E162 WeakPolarHBondContact OG1-CG 3.48Å; T159-E162 PolarHBondContact OG1-N 2.72Å; E162-L165 PolarHBondContact O-N 2.78Å; E162-F166 WeakPolarHBondContact O-CB 3.16Å; E162-F166 PolarHBondContact O-N 3.47Å; E162-T201 HydrophobicContact CB-CG2 4.43Å; E162-T201 HydrophobicContact CG-CG2 3.79Å; E162-R204 WeakPolarHBondContact OE1-CB 3.18Å; E162-L205 HydrophobicContact CB-CD2 3.77Å; E162-L205 HydrophobicContact CB-CG 4.13Å; E162-L205 HydrophobicContact CG-CD2 4.45Å; E162-L205 HydrophobicContact CG-CG 4.38Å; E162-L205 WeakPolarHBondContact O-CD2 3.43Å; E162-K208 IonicContact OE1-NZ 2.66Å; E162-K208 IonicContact OE2-NZ 3.05Å; E162-K208 PolarHBondContact OE2-NZ 3.04Å
163F93.2Very high92.6Very high3 Ų342.7 Ų42.71%0.01322%0.218CC..Hα-helixtrans-58.3-53175.2178.1-92.1000112.3I142 Y147 I149 L158 T159 H160 R161 L165 F166 H167I142-F163 HydrophobicContact CG2-CE2 3.97Å; I142-F163 HydrophobicContact CG2-CZ 4.19Å; Y147-F163 VanDerWaalsContact C-CD2 3.49Å; Y147-F163 AromaticContact CD1-CD1 3.39Å; Y147-F163 HydrophobicContact CD1-CD1 3.39Å; Y147-F163 AromaticContact CD1-CE1 3.45Å; Y147-F163 HydrophobicContact CD1-CE1 3.45Å; Y147-F163 VanDerWaalsContact CD1-CE1 3.45Å; Y147-F163 HydrophobicContact CD1-CG 4.31Å; Y147-F163 HydrophobicContact CD1-CZ 4.42Å; Y147-F163 HydrophobicContact CE1-CD1 4.03Å; Y147-F163 AromaticContact CE1-CE1 3.94Å; Y147-F163 HydrophobicContact CE1-CE1 3.94Å; Y147-F163 HydrophobicContact CG-CD1 4.17Å; Y147-F163 AromaticContact CG-CE1 3.98Å; Y147-F163 HydrophobicContact CG-CE1 3.98Å; Y147-F163 WeakPolarHBondContact O-CD2 3.29Å; I149-F163 HydrophobicContact CD1-CD2 4Å; I149-F163 HydrophobicContact CD1-CE2 4.21Å; I149-F163 HydrophobicContact CG1-CD2 3.82Å; I149-F163 HydrophobicContact CG1-CE2 3.8Å; L158-F163 HydrophobicContact CB-CB 4.4Å; T159-F163 PolarHBondContact O-N 3.41Å; H160-F163 PolarHBondContact O-N 3.26Å; R161-F163 VanDerWaalsContact C-N 3.31Å; F163-L165 VanDerWaalsContact C-N 3.3Å; F163-L165 PolarHBondContact O-N 2.92Å; F163-F166 PolarHBondContact O-N 3.33Å; F163-H167 HydrophobicContact CE1-CB 4.12Å; F163-H167 AromaticContact CE1-ND1 3.86Å; F163-H167 HydrophobicContact CZ-CB 4.21Å; F163-H167 VanDerWaalsContact O-CB 3.23Å; F163-H167 WeakPolarHBondContact O-CB 3.31Å; F163-H167 PolarHBondContact O-N 3.13Å
164E92.4Very high92.7Very high38 Ų3841.7 Ų41.718%0.17821%0.207CC..Hα-helixtrans-57.4-43.4-179.5-79.2-171.6138.700111.7H160 R161 Y168 V186H160-E164 IonicContact CD2-OE1 2.65Å; H160-E164 IonicContact CD2-OE2 3.51Å; H160-E164 VanDerWaalsContact NE2-CD 3.28Å; H160-E164 IonicContact NE2-OE1 2.78Å; H160-E164 PolarHBondContact NE2-OE1 2.95Å; H160-E164 IonicContact NE2-OE2 3.92Å; H160-E164 WeakPolarHBondContact O-CB 3.3Å; H160-E164 WeakPolarHBondContact O-CG 3.42Å; H160-E164 PolarHBondContact O-N 3.21Å; R161-E164 IonicContact CZ-OE2 2.69Å; R161-E164 IonicContact NH1-OE2 3.89Å; R161-E164 PolarHBondContact NH1-OE2 3.3Å; R161-E164 PolarHBondContact O-N 2.73Å; E164-Y168 VanDerWaalsContact O-CB 3.23Å; E164-Y168 WeakPolarHBondContact O-CB 3.33Å; E164-Y168 PolarHBondContact O-N 3.2Å; E164-V186 HydrophobicContact CB-CG1 3.98Å
165L95.7Very high92.8Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-64.7-46.6178.9178.258.9000111.6R161 E162 F163 Y168 L169 L182 V186 W187 T201 I202 L205R161-L165 WeakPolarHBondContact O-CB 3.4Å; R161-L165 PolarHBondContact O-N 3.17Å; E162-L165 PolarHBondContact O-N 2.78Å; F163-L165 VanDerWaalsContact C-N 3.3Å; F163-L165 PolarHBondContact O-N 2.92Å; L165-Y168 PolarHBondContact O-N 3Å; L165-L169 HydrophobicContact CD1-CD1 4.43Å; L165-L169 WeakPolarHBondContact O-CG 3.47Å; L165-L169 PolarHBondContact O-N 2.96Å; L165-L182 HydrophobicContact CD1-CB 4.22Å; L165-L182 HydrophobicContact CD1-CD1 4.22Å; L165-L182 HydrophobicContact CD1-CD2 3.84Å; L165-L182 HydrophobicContact CD1-CG 4.31Å; L165-V186 HydrophobicContact CB-CG1 4.4Å; L165-V186 HydrophobicContact CB-CG2 4.21Å; L165-V186 HydrophobicContact CD1-CG2 3.92Å; L165-W187 HydrophobicContact CD2-CH2 4.41Å; L165-T201 HydrophobicContact CB-CG2 4.45Å; L165-T201 HydrophobicContact CD2-CG2 3.58Å; L165-I202 HydrophobicContact CD2-CD1 3.79Å; L165-I202 HydrophobicContact CD2-CG1 4Å; L165-I202 HydrophobicContact CG-CD1 4.28Å; L165-L205 HydrophobicContact CB-CD1 4.16Å; L165-L205 HydrophobicContact CD2-CD1 3.84Å; L165-L205 HydrophobicContact CG-CD1 3.97Å
166F96.8Very high93Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-65.6-45.1179.3-170.6-96.3000112I140 I142 I149 E162 F163 Y168 L169 S170 L205 I209 I219 L229I140-F166 HydrophobicContact CD1-CZ 3.93Å; I140-F166 HydrophobicContact CG2-CE1 4.13Å; I140-F166 HydrophobicContact CG2-CZ 4.34Å; I142-F166 HydrophobicContact CD1-CD1 3.77Å; I142-F166 HydrophobicContact CD1-CE1 3.54Å; I142-F166 HydrophobicContact CG1-CD1 4.28Å; I142-F166 HydrophobicContact CG1-CE1 3.92Å; I149-F166 HydrophobicContact CD1-CB 4.29Å; I149-F166 HydrophobicContact CD1-CD1 3.24Å; I149-F166 HydrophobicContact CD1-CE1 3.77Å; I149-F166 HydrophobicContact CD1-CG 4.01Å; E162-F166 WeakPolarHBondContact O-CB 3.16Å; E162-F166 PolarHBondContact O-N 3.47Å; F163-F166 PolarHBondContact O-N 3.33Å; F166-Y168 VanDerWaalsContact C-N 3.31Å; F166-Y168 PolarHBondContact O-N 3.42Å; F166-L169 PolarHBondContact O-N 2.73Å; F166-S170 PolarHBondContact O-N 2.77Å; F166-L205 HydrophobicContact CB-CD1 4.21Å; F166-L205 HydrophobicContact CB-CD2 4Å; F166-L205 HydrophobicContact CD2-CD2 4.47Å; F166-I209 HydrophobicContact CD1-CD1 4.45Å; F166-I209 HydrophobicContact CD2-CD1 3.45Å; F166-I209 VanDerWaalsContact CD2-CD1 3.45Å; F166-I209 HydrophobicContact CE1-CD1 4.46Å; F166-I209 HydrophobicContact CE2-CD1 3.5Å; F166-I209 HydrophobicContact CE2-CG2 4.16Å; F166-I209 HydrophobicContact CG-CD1 3.94Å; F166-I209 HydrophobicContact CZ-CD1 4.02Å; F166-I209 HydrophobicContact CZ-CG2 4.38Å; F166-I219 HydrophobicContact CD2-CD1 3.77Å; F166-I219 HydrophobicContact CD2-CG1 4.12Å; F166-I219 HydrophobicContact CE2-CD1 3.99Å; F166-I219 HydrophobicContact CE2-CG1 3.96Å; F166-L229 HydrophobicContact CD2-CD1 4.21Å; F166-L229 HydrophobicContact CE2-CD1 3.51Å; F166-L229 HydrophobicContact CZ-CD1 3.95Å; F166-L229 HydrophobicContact CZ-CD2 4.29Å
167H94.8Very high93.2Very high27 Ų2737 Ų3713%0.12519%0.185CC..Hα-helixtrans-64.3-35.2176.8177.4-152.4000112.2F163 S170 K171F163-H167 HydrophobicContact CE1-CB 4.12Å; F163-H167 AromaticContact CE1-ND1 3.86Å; F163-H167 HydrophobicContact CZ-CB 4.21Å; F163-H167 VanDerWaalsContact O-CB 3.23Å; F163-H167 WeakPolarHBondContact O-CB 3.31Å; F163-H167 PolarHBondContact O-N 3.13Å; H167-S170 WeakPolarHBondContact CA-OG 3.3Å; H167-S170 PolarHBondContact O-N 3.03Å; H167-S170 PolarHBondContact O-OG 3.12Å; H167-K171 PolarHBondContact CE1-NZ 2.9Å; H167-K171 WeakPolarHBondContact NE2-CE 3.43Å; H167-K171 PolarHBondContact NE2-NZ 2.93Å; H167-K171 PolarHBondContact O-N 2.92Å; H167-K171 VanDerWaalsContact O-N 3.11Å
168Y95.4Very high93.6Very high44 Ų4432.1 Ų32.117%0.17317%0.167CC..Hα-helixtrans-63.3-48.6173-174.2-100.8000111.1E164 L165 F166 S170 K171 H172 M177 H181 L182 T185E164-Y168 VanDerWaalsContact O-CB 3.23Å; E164-Y168 WeakPolarHBondContact O-CB 3.33Å; E164-Y168 PolarHBondContact O-N 3.2Å; L165-Y168 PolarHBondContact O-N 3Å; F166-Y168 VanDerWaalsContact C-N 3.31Å; F166-Y168 PolarHBondContact O-N 3.42Å; Y168-S170 VanDerWaalsContact C-N 3.28Å; Y168-S170 PolarHBondContact O-N 3.23Å; Y168-K171 PolarHBondContact O-N 2.93Å; Y168-H172 AromaticContact CE1-CD2 3.9Å; Y168-H172 AromaticContact CE2-CD2 3.62Å; Y168-H172 AromaticContact CE2-NE2 3.45Å; Y168-H172 WeakPolarHBondContact CE2-NE2 3.3Å; Y168-H172 AromaticContact CZ-CD2 3.47Å; Y168-H172 VanDerWaalsContact CZ-CD2 3.47Å; Y168-H172 AromaticContact CZ-NE2 3.49Å; Y168-H172 PolarHBondContact O-CD2 2.86Å; Y168-H172 VanDerWaalsContact O-CD2 3.28Å; Y168-H172 PolarHBondContact O-N 2.89Å; Y168-H172 PolarHBondContact OH-NE2 3.45Å; Y168-M177 HydrophobicContact CE1-CE 4.04Å; Y168-M177 HydrophobicContact CE1-CG 4.21Å; Y168-M177 HydrophobicContact CE1-SD 4.14Å; Y168-H181 AromaticContact CE1-CD2 3.97Å; Y168-H181 AromaticContact CE1-NE2 3.65Å; Y168-H181 AromaticContact CZ-NE2 3.52Å; Y168-H181 PolarHBondContact OH-NE2 3.47Å; Y168-L182 HydrophobicContact CD1-CD2 3.72Å; Y168-L182 HydrophobicContact CE1-CD2 4.04Å; Y168-T185 HydrophobicContact CD1-CG2 4.46Å; Y168-T185 HydrophobicContact CD2-CG2 3.59Å; Y168-T185 HydrophobicContact CE1-CG2 4.19Å; Y168-T185 HydrophobicContact CE2-CG2 3.3Å; Y168-T185 HydrophobicContact CG-CG2 4.19Å
169L97.4Very high93.9Very high1 Ų133.6 Ų33.61%0.00517%0.171CC..Hα-helixtrans-62.4-34.8177.1-68.2172.8000112.2L165 F166 K171 H172 M173 M177 L182 I202 I219 L229L165-L169 HydrophobicContact CD1-CD1 4.43Å; L165-L169 WeakPolarHBondContact O-CG 3.47Å; L165-L169 PolarHBondContact O-N 2.96Å; F166-L169 PolarHBondContact O-N 2.73Å; L169-K171 VanDerWaalsContact C-N 3.34Å; L169-H172 CarbonylContact O-C 3.51Å; L169-H172 PolarHBondContact O-N 3.22Å; L169-H172 VanDerWaalsContact O-N 3.09Å; L169-M173 PolarHBondContact O-N 3.42Å; L169-M177 HydrophobicContact CD2-CB 4.22Å; L169-M177 HydrophobicContact CD2-CG 3.95Å; L169-L182 HydrophobicContact CD2-CD1 4.42Å; L169-L182 HydrophobicContact CD2-CD2 3.85Å; L169-L182 HydrophobicContact CG-CD2 4.4Å; L169-I202 HydrophobicContact CD1-CD1 3.98Å; L169-I219 HydrophobicContact CD1-CG2 4.27Å; L169-L229 HydrophobicContact CB-CB 4.03Å
170S94.6Very high94.2Very high7 Ų738 Ų385%0.04919%0.191CC..Hα-helixtrans-70-27.9177.374.40000113.9I142 F166 H167 Y168 H172 M173I142-S170 VanDerWaalsContact CD1-OG 3.24Å; I142-S170 WeakPolarHBondContact CD1-OG 3.32Å; F166-S170 PolarHBondContact O-N 2.77Å; H167-S170 WeakPolarHBondContact CA-OG 3.3Å; H167-S170 PolarHBondContact O-N 3.03Å; H167-S170 PolarHBondContact O-OG 3.12Å; Y168-S170 VanDerWaalsContact C-N 3.28Å; Y168-S170 PolarHBondContact O-N 3.23Å; S170-H172 PolarHBondContact O-N 2.9Å; S170-M173 WeakPolarHBondContact O-CG 3.29Å
171K92.7Very high94.6Very high133 Ų13339.8 Ų39.858%0.57820%0.2SC*.Hα-helixtrans-72.1-14.7170.1-76.8-179164.8165.50113.4I135 H167 Y168 L169I135-K171 HydrophobicContact CD1-CG 4.37Å; H167-K171 PolarHBondContact CE1-NZ 2.9Å; H167-K171 WeakPolarHBondContact NE2-CE 3.43Å; H167-K171 PolarHBondContact NE2-NZ 2.93Å; H167-K171 PolarHBondContact O-N 2.92Å; H167-K171 VanDerWaalsContact O-N 3.11Å; Y168-K171 PolarHBondContact O-N 2.93Å; L169-K171 VanDerWaalsContact C-N 3.34Å
172H94.7Very high95Very high54 Ų5439.5 Ų39.525%0.2520%0.199CC..THydrogen-bonded Turntrans-130.741.5-176.1-61.9-81.3000112.2Y168 L169 S170 G174 Q175 M177Y168-H172 AromaticContact CE1-CD2 3.9Å; Y168-H172 AromaticContact CE2-CD2 3.62Å; Y168-H172 AromaticContact CE2-NE2 3.45Å; Y168-H172 WeakPolarHBondContact CE2-NE2 3.3Å; Y168-H172 AromaticContact CZ-CD2 3.47Å; Y168-H172 VanDerWaalsContact CZ-CD2 3.47Å; Y168-H172 AromaticContact CZ-NE2 3.49Å; Y168-H172 PolarHBondContact O-CD2 2.86Å; Y168-H172 VanDerWaalsContact O-CD2 3.28Å; Y168-H172 PolarHBondContact O-N 2.89Å; Y168-H172 PolarHBondContact OH-NE2 3.45Å; L169-H172 CarbonylContact O-C 3.51Å; L169-H172 PolarHBondContact O-N 3.22Å; L169-H172 VanDerWaalsContact O-N 3.09Å; S170-H172 PolarHBondContact O-N 2.9Å; H172-G174 PolarHBondContact O-N 3.22Å; H172-Q175 HydrophobicContact CB-CB 4.33Å; H172-Q175 WeakPolarHBondContact O-CB 3.37Å; H172-Q175 PolarHBondContact O-N 3.15Å; H172-M177 HydrophobicContact CB-CE 3.11Å
173M92.5Very high95Very high47 Ų4740 Ų4023%0.23220%0.201CC..THydrogen-bonded Turntrans-52.1139.7-179.2-68.4-177.780.500112.4I137 L169 S170 Q175 L229 Q230I137-M173 HydrophobicContact CB-CE 4.35Å; I137-M173 HydrophobicContact CD1-CE 3.88Å; I137-M173 HydrophobicContact CD1-SD 3.69Å; I137-M173 HydrophobicContact CG1-CE 3.97Å; I137-M173 HydrophobicContact CG1-SD 3.93Å; I137-M173 HydrophobicContact CG2-CE 3.54Å; L169-M173 PolarHBondContact O-N 3.42Å; S170-M173 WeakPolarHBondContact O-CG 3.29Å; M173-Q175 PolarHBondContact O-N 3.42Å; M173-Q175 VanDerWaalsContact O-N 3.15Å; M173-L229 HydrophobicContact CE-CD2 4.36Å; M173-L229 HydrophobicContact CG-CB 4.36Å; M173-L229 HydrophobicContact CG-CD2 4.12Å; M173-Q230 WeakPolarHBondContact CE-O 3.3Å
174G93.7Very high94.9Very high39 Ų3943.8 Ų43.840%0.40222%0.219SC..THydrogen-bonded Turntrans74.7-13-177.100000115.1H172 L229H172-G174 PolarHBondContact O-N 3.22Å; G174-L229 PolarHBondContact N-O 3.26Å
175Q96.4Very high94.8Very high110 Ų11044.2 Ų44.251%0.51422%0.224SC..  trans-88.2126.3179.3-56.2-178.517.700110.6H172 M173 M177 F228H172-Q175 HydrophobicContact CB-CB 4.33Å; H172-Q175 WeakPolarHBondContact O-CB 3.37Å; H172-Q175 PolarHBondContact O-N 3.15Å; M173-Q175 PolarHBondContact O-N 3.42Å; M173-Q175 VanDerWaalsContact O-N 3.15Å; Q175-M177 HydrophobicContact CB-CE 4.08Å; Q175-M177 PolarHBondContact O-N 3.07Å; Q175-F228 WeakPolarHBondContact O-CB 3.38Å
176V97.3Very high94.5Very high58 Ų5844.4 Ų44.435%0.35223%0.226SC..  trans-74.9113.8175.3-175.40000109.8R222 V225 F228V176-R222 HydrophobicContact CG1-CB 3.62Å; V176-R222 HydrophobicContact CG1-CG 4.02Å; V176-R222 HydrophobicContact CG2-CB 4.1Å; V176-R222 HydrophobicContact CG2-CG 4.21Å; V176-V225 HydrophobicContact CG1-CB 4.1Å; V176-V225 HydrophobicContact CG1-CG1 3.6Å; V176-F228 HydrophobicContact CG2-CB 4.46Å; V176-F228 HydrophobicContact CG2-CD1 3.93Å; V176-F228 HydrophobicContact CG2-CE1 4.48Å; V176-F228 HydrophobicContact CG2-CG 4.33Å
177M97.6Very high94.1Very high14 Ų1444.6 Ų44.67%0.06923%0.226CC..EExtended strand (participates in β ladder)trans-93.1130.1174.3-61.6-58.8178.200110.1Y168 L169 H172 Q175 H181 L182 G226 Y227Y168-M177 HydrophobicContact CE1-CE 4.04Å; Y168-M177 HydrophobicContact CE1-CG 4.21Å; Y168-M177 HydrophobicContact CE1-SD 4.14Å; L169-M177 HydrophobicContact CD2-CB 4.22Å; L169-M177 HydrophobicContact CD2-CG 3.95Å; H172-M177 HydrophobicContact CB-CE 3.11Å; Q175-M177 HydrophobicContact CB-CE 4.08Å; Q175-M177 PolarHBondContact O-N 3.07Å; M177-H181 VanDerWaalsContact SD-CD2 3.51Å; M177-L182 HydrophobicContact CB-CD1 3.99Å; M177-L182 HydrophobicContact CB-CD2 3.56Å; M177-L182 HydrophobicContact CB-CG 3.65Å; M177-L182 HydrophobicContact CG-CD2 4.01Å; M177-G226 VanDerWaalsContact O-CA 3.31Å; M177-G226 WeakPolarHBondContact O-CA 3.31Å; M177-Y227 PolarHBondContact N-O 2.84Å; M177-Y227 PolarHBondContact O-N 2.8Å
178T97Very high93.6Very high55 Ų5543.8 Ų43.834%0.33723%0.225SC..EExtended strand (participates in β ladder)trans-70.5157.1174.465.60000110.6E180 H181 L182 V225T178-E180 VanDerWaalsContact C-N 3.3Å; T178-E180 PolarHBondContact O-N 3.28Å; T178-H181 PolarHBondContact O-N 2.89Å; T178-H181 WeakPolarHBondContact OG1-CB 3.37Å; T178-H181 PolarHBondContact OG1-N 3.13Å; T178-L182 WeakPolarHBondContact O-CG 3.21Å; T178-L182 PolarHBondContact O-N 2.98Å; T178-V225 HydrophobicContact CG2-CG1 4.18Å
179R95.8Very high92.7Very high41 Ų4149.5 Ų49.516%0.15525%0.248CC..Hα-helixtrans-61.3-42.2178.7-69.2172.5171.763.515.4111.6H181 L182 L183 V195 D199 V225 Y227R179-H181 VanDerWaalsContact C-N 3.3Å; R179-H181 PolarHBondContact O-N 2.96Å; R179-L182 PolarHBondContact O-N 2.94Å; R179-L183 VanDerWaalsContact O-CB 3.31Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 PolarHBondContact O-N 2.89Å; R179-V195 HydrophobicContact CB-CB 3.87Å; R179-V195 HydrophobicContact CB-CG1 3.88Å; R179-D199 WeakPolarHBondContact CD-OD1 3.16Å; R179-D199 IonicContact CZ-OD1 3.41Å; R179-D199 IonicContact NE-OD1 3.75Å; R179-D199 PolarHBondContact NE-OD1 3.44Å; R179-D199 IonicContact NE-OD2 3.34Å; R179-D199 PolarHBondContact NE-OD2 2.91Å; R179-D199 IonicContact NH2-OD1 3.68Å; R179-D199 PolarHBondContact NH2-OD1 2.96Å; R179-V225 PolarHBondContact NH1-O 3.16Å; R179-Y227 HydrophobicContact CG-CE2 4.21Å; R179-Y227 PolarHBondContact NH2-OH 3.02Å
180E94Very high91.5Very high101 Ų10156 Ų5647%0.47228%0.283SS..Hα-helixtrans-62.4-40.7178.5-61.772.4-157.700110.8T178 L183 Q184 V195T178-E180 VanDerWaalsContact C-N 3.3Å; T178-E180 PolarHBondContact O-N 3.28Å; E180-L183 PolarHBondContact O-N 3.34Å; E180-Q184 WeakPolarHBondContact O-CB 3.39Å; E180-Q184 VanDerWaalsContact O-CG 3.27Å; E180-Q184 WeakPolarHBondContact O-CG 3.49Å; E180-Q184 PolarHBondContact O-N 3.09Å; E180-V195 HydrophobicContact CG-CG1 4.08Å
181H94.8Very high90.5Very high55 Ų5557 Ų5726%0.25529%0.285SS..Hα-helixtrans-67.4-44178.3179.874.4000111.9Y168 M177 T178 R179 L183 Q184 T185Y168-H181 AromaticContact CE1-CD2 3.97Å; Y168-H181 AromaticContact CE1-NE2 3.65Å; Y168-H181 AromaticContact CZ-NE2 3.52Å; Y168-H181 PolarHBondContact OH-NE2 3.47Å; M177-H181 VanDerWaalsContact SD-CD2 3.51Å; T178-H181 PolarHBondContact O-N 2.89Å; T178-H181 WeakPolarHBondContact OG1-CB 3.37Å; T178-H181 PolarHBondContact OG1-N 3.13Å; R179-H181 VanDerWaalsContact C-N 3.3Å; R179-H181 PolarHBondContact O-N 2.96Å; H181-L183 VanDerWaalsContact C-N 3.35Å; H181-Q184 PolarHBondContact O-N 3.17Å; H181-T185 PolarHBondContact CE1-OG1 2.71Å; H181-T185 PolarHBondContact NE2-OG1 2.74Å; H181-T185 VanDerWaalsContact O-CB 3.27Å; H181-T185 WeakPolarHBondContact O-CB 3.06Å; H181-T185 PolarHBondContact O-N 2.79Å; H181-T185 PolarHBondContact O-OG1 2.86Å
182L95.5Very high89.4Confident0 Ų058.3 Ų58.30%029%0.291CS..Hα-helixtrans-63.4-42.5175.5-68.6174.3000111.5L165 Y168 L169 M177 T178 R179 T185 V186 V198 Y227L165-L182 HydrophobicContact CD1-CB 4.22Å; L165-L182 HydrophobicContact CD1-CD1 4.22Å; L165-L182 HydrophobicContact CD1-CD2 3.84Å; L165-L182 HydrophobicContact CD1-CG 4.31Å; Y168-L182 HydrophobicContact CD1-CD2 3.72Å; Y168-L182 HydrophobicContact CE1-CD2 4.04Å; L169-L182 HydrophobicContact CD2-CD1 4.42Å; L169-L182 HydrophobicContact CD2-CD2 3.85Å; L169-L182 HydrophobicContact CG-CD2 4.4Å; M177-L182 HydrophobicContact CB-CD1 3.99Å; M177-L182 HydrophobicContact CB-CD2 3.56Å; M177-L182 HydrophobicContact CB-CG 3.65Å; M177-L182 HydrophobicContact CG-CD2 4.01Å; T178-L182 WeakPolarHBondContact O-CG 3.21Å; T178-L182 PolarHBondContact O-N 2.98Å; R179-L182 PolarHBondContact O-N 2.94Å; L182-T185 PolarHBondContact O-N 3.08Å; L182-V186 WeakPolarHBondContact O-CB 3.24Å; L182-V186 WeakPolarHBondContact O-CG2 3.34Å; L182-V186 PolarHBondContact O-N 3.17Å; L182-V198 HydrophobicContact CB-CG1 3.86Å; L182-V198 HydrophobicContact CB-CG2 4.15Å; L182-V198 HydrophobicContact CD1-CG1 3.75Å; L182-V198 HydrophobicContact CG-CG1 4.47Å; L182-Y227 HydrophobicContact CD1-CD2 4.12Å
183L92.5Very high88.3Confident13 Ų1356.5 Ų56.57%0.06829%0.288CS..Iπ-helixtrans-58.1-52.9175.6-170.265.8000110.7R179 E180 H181 T185 W187 G188 Y191 V195 V198R179-L183 VanDerWaalsContact O-CB 3.31Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 PolarHBondContact O-N 2.89Å; E180-L183 PolarHBondContact O-N 3.34Å; H181-L183 VanDerWaalsContact C-N 3.35Å; L183-T185 VanDerWaalsContact C-N 3.35Å; L183-T185 PolarHBondContact O-N 3.03Å; L183-W187 HydrophobicContact CD1-CB 4.27Å; L183-W187 HydrophobicContact CD1-CD2 4.13Å; L183-W187 HydrophobicContact CD1-CE3 4.01Å; L183-W187 HydrophobicContact CD1-CG 4.24Å; L183-W187 VanDerWaalsContact O-CA 3.31Å; L183-W187 WeakPolarHBondContact O-CA 3.41Å; L183-W187 VanDerWaalsContact O-CB 3.24Å; L183-W187 WeakPolarHBondContact O-CB 3.44Å; L183-W187 PolarHBondContact O-N 3.44Å; L183-G188 PolarHBondContact O-N 3.43Å; L183-Y191 HydrophobicContact CD1-CD1 3.52Å; L183-Y191 HydrophobicContact CD1-CE1 3.38Å; L183-Y191 HydrophobicContact CD2-CD1 3.97Å; L183-Y191 HydrophobicContact CD2-CE1 4.28Å; L183-Y191 HydrophobicContact CG-CD1 3.67Å; L183-Y191 HydrophobicContact CG-CE1 4.04Å; L183-V195 HydrophobicContact CD2-CG1 4.23Å; L183-V198 HydrophobicContact CB-CG2 3.88Å; L183-V198 HydrophobicContact CD1-CG2 4.05Å
184Q91.2Very high87.9Confident82 Ų8257 Ų5738%0.38329%0.291SS..Iπ-helixtrans-64.5-37.6-179.8-73.2175.5-8.600113.1E180 H181 G188 Y189E180-Q184 WeakPolarHBondContact O-CB 3.39Å; E180-Q184 VanDerWaalsContact O-CG 3.27Å; E180-Q184 WeakPolarHBondContact O-CG 3.49Å; E180-Q184 PolarHBondContact O-N 3.09Å; H181-Q184 PolarHBondContact O-N 3.17Å; Q184-G188 CarbonylContact O-C 3.57Å; Q184-G188 WeakPolarHBondContact O-CA 3.2Å; Q184-G188 PolarHBondContact O-N 2.72Å; Q184-Y189 HydrophobicContact CB-CD1 3.88Å; Q184-Y189 HydrophobicContact CB-CE1 3.93Å; Q184-Y189 HydrophobicContact CB-CG 4.48Å; Q184-Y189 HydrophobicContact CG-CD1 4.11Å; Q184-Y189 HydrophobicContact CG-CE1 4.44Å; Q184-Y189 PolarHBondContact O-N 3.5Å
185T89.6Confident87.5Confident48 Ų4856.9 Ų56.929%0.29428%0.282SS..Iπ-helixtrans-78.5-43.2-175-54.90000111.9Y168 H181 L182 L183Y168-T185 HydrophobicContact CD1-CG2 4.46Å; Y168-T185 HydrophobicContact CD2-CG2 3.59Å; Y168-T185 HydrophobicContact CE1-CG2 4.19Å; Y168-T185 HydrophobicContact CE2-CG2 3.3Å; Y168-T185 HydrophobicContact CG-CG2 4.19Å; H181-T185 PolarHBondContact CE1-OG1 2.71Å; H181-T185 PolarHBondContact NE2-OG1 2.74Å; H181-T185 VanDerWaalsContact O-CB 3.27Å; H181-T185 WeakPolarHBondContact O-CB 3.06Å; H181-T185 PolarHBondContact O-N 2.79Å; H181-T185 PolarHBondContact O-OG1 2.86Å; L182-T185 PolarHBondContact O-N 3.08Å; L183-T185 VanDerWaalsContact C-N 3.35Å; L183-T185 PolarHBondContact O-N 3.03Å
186V90.4Very high87Confident4 Ų456.4 Ų56.42%0.02428%0.276CS..Iπ-helixtrans-81.2-57.1179.9178.20000109.6R119 R161 E164 L165 L182R119-V186 WeakPolarHBondContact CD-O 3.48Å; R119-V186 PolarHBondContact NE-O 3.01Å; R119-V186 VanDerWaalsContact NE-O 3.09Å; R161-V186 PolarHBondContact NH1-O 3.41Å; E164-V186 HydrophobicContact CB-CG1 3.98Å; L165-V186 HydrophobicContact CB-CG1 4.4Å; L165-V186 HydrophobicContact CB-CG2 4.21Å; L165-V186 HydrophobicContact CD1-CG2 3.92Å; L182-V186 WeakPolarHBondContact O-CB 3.24Å; L182-V186 WeakPolarHBondContact O-CG2 3.34Å; L182-V186 PolarHBondContact O-N 3.17Å
187W88.4Confident86.6Confident3 Ų353.7 Ų53.71%0.01126%0.259CS..Iπ-helixtrans-81-16.2-177.6-73.3-101.1000115D97 R119 R161 L165 L183 Y191 T197 V198 T201D97-W187 PolarHBondContact O-NE1 3.45Å; R119-W187 PolarHBondContact NH1-O 3.39Å; R119-W187 VanDerWaalsContact NH1-O 3.14Å; R119-W187 PolarHBondContact NH2-O 3.07Å; R161-W187 HydrophobicContact CB-CZ2 4.3Å; L165-W187 HydrophobicContact CD2-CH2 4.41Å; L183-W187 HydrophobicContact CD1-CB 4.27Å; L183-W187 HydrophobicContact CD1-CD2 4.13Å; L183-W187 HydrophobicContact CD1-CE3 4.01Å; L183-W187 HydrophobicContact CD1-CG 4.24Å; L183-W187 VanDerWaalsContact O-CA 3.31Å; L183-W187 WeakPolarHBondContact O-CA 3.41Å; L183-W187 VanDerWaalsContact O-CB 3.24Å; L183-W187 WeakPolarHBondContact O-CB 3.44Å; L183-W187 PolarHBondContact O-N 3.44Å; W187-Y191 HydrophobicContact CB-CD1 3.84Å; W187-Y191 HydrophobicContact CB-CD2 3.64Å; W187-Y191 HydrophobicContact CB-CE1 4.18Å; W187-Y191 HydrophobicContact CB-CE2 3.97Å; W187-Y191 HydrophobicContact CB-CG 3.55Å; W187-Y191 AromaticContact CD1-CE2 3.54Å; W187-Y191 AromaticContact CD1-CZ 3.71Å; W187-Y191 HydrophobicContact CG-CD1 4.41Å; W187-Y191 HydrophobicContact CG-CD2 4.22Å; W187-Y191 HydrophobicContact CG-CE1 4.27Å; W187-Y191 HydrophobicContact CG-CE2 4.05Å; W187-Y191 HydrophobicContact CG-CG 4.39Å; W187-T197 HydrophobicContact CD2-CG2 4.28Å; W187-T197 VanDerWaalsContact CE2-CG2 3.45Å; W187-T197 HydrophobicContact CH2-CG2 4.15Å; W187-T197 HydrophobicContact CZ2-CG2 3.39Å; W187-V198 HydrophobicContact CE3-CG2 4.48Å; W187-V198 HydrophobicContact CZ3-CG2 4.01Å; W187-T201 HydrophobicContact CH2-CG2 4.17Å; W187-T201 WeakPolarHBondContact CH2-OG1 3.31Å; W187-T201 WeakPolarHBondContact CZ2-OG1 3.3Å
188G83.8Confident86.4Confident10 Ų1053 Ų5310%0.10326%0.256CS..  trans105.5152.1177.100000114.3L183 Q184 D190 Y191L183-G188 PolarHBondContact O-N 3.43Å; Q184-G188 CarbonylContact O-C 3.57Å; Q184-G188 WeakPolarHBondContact O-CA 3.2Å; Q184-G188 PolarHBondContact O-N 2.72Å; G188-D190 PolarHBondContact O-N 3.43Å; G188-Y191 WeakPolarHBondContact O-CB 3.38Å; G188-Y191 PolarHBondContact O-N 3.29Å
189Y77.8Confident86.2Confident165 Ų16552.8 Ų52.865%0.64725%0.253SS*.THydrogen-bonded Turntrans-63-27.2176.3-68.5-80.7000113.8Q184 Y191Q184-Y189 HydrophobicContact CB-CD1 3.88Å; Q184-Y189 HydrophobicContact CB-CE1 3.93Å; Q184-Y189 HydrophobicContact CB-CG 4.48Å; Q184-Y189 HydrophobicContact CG-CD1 4.11Å; Q184-Y189 HydrophobicContact CG-CE1 4.44Å; Q184-Y189 PolarHBondContact O-N 3.5Å; Y189-Y191 PolarHBondContact O-N 3.4Å
190D71.5Confident86Confident138 Ų13851.4 Ų51.474%0.73825%0.249SC*.THydrogen-bonded Turntrans-84.28.1176.5-54-42.7000112.7G188 F192G188-D190 PolarHBondContact O-N 3.43Å; D190-F192 WeakPolarHBondContact O-CD2 3.33Å; D190-F192 VanDerWaalsContact O-CE2 3.27Å; D190-F192 WeakPolarHBondContact O-CE2 3.3Å; D190-F192 PolarHBondContact O-N 2.89Å
191Y72.6Confident86Confident26 Ų2646.9 Ų46.910%0.10223%0.228CC..  trans-81.9115.9-178.7-171.3-102.4000111.4D98 L183 W187 G188 Y189 G193D98-Y191 VanDerWaalsContact CG-CE2 3.4Å; D98-Y191 WeakPolarHBondContact OD1-CE2 3.33Å; D98-Y191 PolarHBondContact OD1-OH 3.27Å; D98-Y191 WeakPolarHBondContact OD2-CE2 3.47Å; L183-Y191 HydrophobicContact CD1-CD1 3.52Å; L183-Y191 HydrophobicContact CD1-CE1 3.38Å; L183-Y191 HydrophobicContact CD2-CD1 3.97Å; L183-Y191 HydrophobicContact CD2-CE1 4.28Å; L183-Y191 HydrophobicContact CG-CD1 3.67Å; L183-Y191 HydrophobicContact CG-CE1 4.04Å; W187-Y191 HydrophobicContact CB-CD1 3.84Å; W187-Y191 HydrophobicContact CB-CD2 3.64Å; W187-Y191 HydrophobicContact CB-CE1 4.18Å; W187-Y191 HydrophobicContact CB-CE2 3.97Å; W187-Y191 HydrophobicContact CB-CG 3.55Å; W187-Y191 AromaticContact CD1-CE2 3.54Å; W187-Y191 AromaticContact CD1-CZ 3.71Å; W187-Y191 HydrophobicContact CG-CD1 4.41Å; W187-Y191 HydrophobicContact CG-CD2 4.22Å; W187-Y191 HydrophobicContact CG-CE1 4.27Å; W187-Y191 HydrophobicContact CG-CE2 4.05Å; W187-Y191 HydrophobicContact CG-CG 4.39Å; G188-Y191 WeakPolarHBondContact O-CB 3.38Å; G188-Y191 PolarHBondContact O-N 3.29Å; Y189-Y191 PolarHBondContact O-N 3.4Å; Y191-G193 VanDerWaalsContact CD1-N 3.29Å; Y191-G193 VanDerWaalsContact CE1-N 3.35Å
192F69.6Low86.1Confident161 Ų16144.3 Ų44.371%0.70622%0.216SC*.  trans-94.918.6179.2-59.9-83.8000113.7D190D190-F192 WeakPolarHBondContact O-CD2 3.33Å; D190-F192 VanDerWaalsContact O-CE2 3.27Å; D190-F192 WeakPolarHBondContact O-CE2 3.3Å; D190-F192 PolarHBondContact O-N 2.89Å
193G73.2Confident86.1Confident17 Ų1750.4 Ų50.418%0.17524%0.239CC..SBendtrans-84.9-178177.700000113.6Y191Y191-G193 VanDerWaalsContact CD1-N 3.29Å; Y191-G193 VanDerWaalsContact CE1-N 3.35Å
194D82.9Confident86.1Confident56 Ų5650.7 Ų50.730%0.29924%0.239SC..  trans-90.8148.3-176.4-171.8-10000111.3Y99 R196 T197Y99-D194 WeakPolarHBondContact OH-CB 3.43Å; Y99-D194 PolarHBondContact OH-N 3.47Å; D194-R196 HydrophobicContact CB-CB 4.4Å; D194-R196 PolarHBondContact O-N 3.32Å; D194-R196 VanDerWaalsContact O-N 3.11Å; D194-R196 PolarHBondContact OD1-N 2.83Å; D194-R196 WeakPolarHBondContact OD2-CD 3.38Å; D194-R196 WeakPolarHBondContact OD2-CG 3.14Å; D194-R196 IonicContact OD2-NE 2.73Å; D194-T197 WeakPolarHBondContact O-CB 3.4Å; D194-T197 PolarHBondContact O-N 2.92Å; D194-T197 VanDerWaalsContact O-N 3.09Å; D194-T197 PolarHBondContact O-OG1 2.95Å
195V86.5Confident86.4Confident37 Ų3746.8 Ų46.822%0.22422%0.221CC..THydrogen-bonded Turntrans-57.1-20.4171.5-70.20000113.1R179 E180 L183 T197 V198 D199R179-V195 HydrophobicContact CB-CB 3.87Å; R179-V195 HydrophobicContact CB-CG1 3.88Å; E180-V195 HydrophobicContact CG-CG1 4.08Å; L183-V195 HydrophobicContact CD2-CG1 4.23Å; V195-T197 PolarHBondContact O-N 2.95Å; V195-V198 VanDerWaalsContact O-CB 3.31Å; V195-V198 WeakPolarHBondContact O-CB 3.31Å; V195-V198 PolarHBondContact O-N 3.49Å; V195-D199 PolarHBondContact O-N 2.95Å
196R85.9Confident86.7Confident101 Ų10146.1 Ų46.138%0.38121%0.213SC..Hα-helixtrans-55.3-30.3172-71.4-170.6179.1-157.36.3113.7E85 D194 V198 D199 V200E85-R196 VanDerWaalsContact CD-NH1 3.31Å; E85-R196 IonicContact OE1-CZ 3.6Å; E85-R196 IonicContact OE1-NE 3.65Å; E85-R196 PolarHBondContact OE1-NE 2.75Å; E85-R196 IonicContact OE1-NH1 2.66Å; E85-R196 PolarHBondContact OE1-NH1 2.78Å; E85-R196 IonicContact OE1-NH2 3.95Å; E85-R196 PolarHBondContact OE1-NH2 2.83Å; E85-R196 IonicContact OE2-NH1 2.63Å; E85-R196 IonicContact OE2-NH2 2.74Å; D194-R196 HydrophobicContact CB-CB 4.4Å; D194-R196 PolarHBondContact O-N 3.32Å; D194-R196 VanDerWaalsContact O-N 3.11Å; D194-R196 PolarHBondContact OD1-N 2.83Å; D194-R196 WeakPolarHBondContact OD2-CD 3.38Å; D194-R196 WeakPolarHBondContact OD2-CG 3.14Å; D194-R196 IonicContact OD2-NE 2.73Å; R196-V198 PolarHBondContact O-N 2.78Å; R196-D199 PolarHBondContact O-N 2.92Å; R196-D199 VanDerWaalsContact O-N 3.16Å; R196-V200 WeakPolarHBondContact O-CG2 3.33Å; R196-V200 PolarHBondContact O-N 3.48Å
197T87.7Confident87Confident0 Ų050.9 Ų50.90%024%0.235CC..Hα-helixtrans-57.3-42174.4-53.80000110.8L92 W187 D194 V195 V200 T201L92-T197 HydrophobicContact CD1-CG2 4.16Å; L92-T197 WeakPolarHBondContact CD1-OG1 3.5Å; L92-T197 HydrophobicContact CD2-CG2 3.94Å; W187-T197 HydrophobicContact CD2-CG2 4.28Å; W187-T197 VanDerWaalsContact CE2-CG2 3.45Å; W187-T197 HydrophobicContact CH2-CG2 4.15Å; W187-T197 HydrophobicContact CZ2-CG2 3.39Å; D194-T197 WeakPolarHBondContact O-CB 3.4Å; D194-T197 PolarHBondContact O-N 2.92Å; D194-T197 VanDerWaalsContact O-N 3.09Å; D194-T197 PolarHBondContact O-OG1 2.95Å; V195-T197 PolarHBondContact O-N 2.95Å; T197-V200 PolarHBondContact O-N 3.05Å; T197-T201 PolarHBondContact O-N 3.46Å; T197-T201 PolarHBondContact O-OG1 3.43Å
198V93Very high87.3Confident0 Ų054.8 Ų54.80%025%0.252CS..Hα-helixtrans-62.2-48.2175.9-176.90000110.8L182 L183 W187 V195 R196 V200 T201 I202 Y227L182-V198 HydrophobicContact CB-CG1 3.86Å; L182-V198 HydrophobicContact CB-CG2 4.15Å; L182-V198 HydrophobicContact CD1-CG1 3.75Å; L182-V198 HydrophobicContact CG-CG1 4.47Å; L183-V198 HydrophobicContact CB-CG2 3.88Å; L183-V198 HydrophobicContact CD1-CG2 4.05Å; W187-V198 HydrophobicContact CE3-CG2 4.48Å; W187-V198 HydrophobicContact CZ3-CG2 4.01Å; V195-V198 VanDerWaalsContact O-CB 3.31Å; V195-V198 WeakPolarHBondContact O-CB 3.31Å; V195-V198 PolarHBondContact O-N 3.49Å; R196-V198 PolarHBondContact O-N 2.78Å; V198-V200 VanDerWaalsContact C-N 3.32Å; V198-V200 PolarHBondContact O-N 3.18Å; V198-T201 PolarHBondContact O-N 3.45Å; V198-I202 HydrophobicContact CG1-CG1 4.2Å; V198-I202 WeakPolarHBondContact O-CB 3.43Å; V198-I202 VanDerWaalsContact O-CG1 3.23Å; V198-I202 WeakPolarHBondContact O-CG1 3.13Å; V198-I202 PolarHBondContact O-N 2.79Å; V198-Y227 HydrophobicContact CG1-CD2 4.25Å; V198-Y227 HydrophobicContact CG1-CE2 4.28Å
199D93.9Very high87.8Confident51 Ų5154.3 Ų54.327%0.27325%0.248SC..Hα-helixtrans-61.2-42.1-176.9-68.7-6.5000111.5R179 V195 R196 I202 R203 Y227R179-D199 WeakPolarHBondContact CD-OD1 3.16Å; R179-D199 IonicContact CZ-OD1 3.41Å; R179-D199 IonicContact NE-OD1 3.75Å; R179-D199 PolarHBondContact NE-OD1 3.44Å; R179-D199 IonicContact NE-OD2 3.34Å; R179-D199 PolarHBondContact NE-OD2 2.91Å; R179-D199 IonicContact NH2-OD1 3.68Å; R179-D199 PolarHBondContact NH2-OD1 2.96Å; V195-D199 PolarHBondContact O-N 2.95Å; R196-D199 PolarHBondContact O-N 2.92Å; R196-D199 VanDerWaalsContact O-N 3.16Å; D199-I202 PolarHBondContact O-N 3.18Å; D199-R203 PolarHBondContact O-N 3.37Å; D199-Y227 VanDerWaalsContact CG-OH 3.31Å; D199-Y227 WeakPolarHBondContact OD1-CE2 3.34Å; D199-Y227 PolarHBondContact OD1-OH 3.39Å
200V91.9Very high88.7Confident11 Ų1147 Ų477%0.06722%0.219CC..Hα-helixtrans-67.3-44.4177.3174.90000111.3V89 L92 E93 R196 T197 V198 I202 R203 R204V89-V200 HydrophobicContact CG1-CG2 4.12Å; L92-V200 VanDerWaalsContact C-CG1 3.45Å; L92-V200 HydrophobicContact CB-CB 4.35Å; L92-V200 HydrophobicContact CB-CG1 3.89Å; L92-V200 WeakPolarHBondContact O-CG1 3.3Å; E93-V200 HydrophobicContact CB-CG1 4.31Å; E93-V200 HydrophobicContact CG-CG1 3.62Å; E93-V200 HydrophobicContact CG-CG2 4.34Å; R196-V200 WeakPolarHBondContact O-CG2 3.33Å; R196-V200 PolarHBondContact O-N 3.48Å; T197-V200 PolarHBondContact O-N 3.05Å; V198-V200 VanDerWaalsContact C-N 3.32Å; V198-V200 PolarHBondContact O-N 3.18Å; V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 PolarHBondContact O-N 2.92Å; V200-R203 WeakPolarHBondContact O-CB 3.3Å; V200-R203 PolarHBondContact O-N 2.66Å; V200-R204 WeakPolarHBondContact O-CD 3.48Å; V200-R204 WeakPolarHBondContact O-CG 3.33Å; V200-R204 PolarHBondContact O-N 2.84Å; V200-R204 VanDerWaalsContact O-N 3.07Å
201T93.6Very high89.9Confident6 Ų645.2 Ų45.24%0.03721%0.21CC..Hα-helixtrans-63.5-38.9175.8-51.70000111.8E162 L165 W187 T197 V198 R203 R204 L205E162-T201 HydrophobicContact CB-CG2 4.43Å; E162-T201 HydrophobicContact CG-CG2 3.79Å; L165-T201 HydrophobicContact CB-CG2 4.45Å; L165-T201 HydrophobicContact CD2-CG2 3.58Å; W187-T201 HydrophobicContact CH2-CG2 4.17Å; W187-T201 WeakPolarHBondContact CH2-OG1 3.31Å; W187-T201 WeakPolarHBondContact CZ2-OG1 3.3Å; T197-T201 PolarHBondContact O-N 3.46Å; T197-T201 PolarHBondContact O-OG1 3.43Å; V198-T201 PolarHBondContact O-N 3.45Å; T201-R203 VanDerWaalsContact C-N 3.35Å; T201-R203 PolarHBondContact O-N 3.34Å; T201-R204 PolarHBondContact O-N 2.88Å; T201-L205 HydrophobicContact CG2-CD1 4.4Å; T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 WeakPolarHBondContact O-CG 3.43Å; T201-L205 PolarHBondContact O-N 3.4Å
202I96.5Very high91Very high1 Ų147.3 Ų47.31%0.00522%0.222CC..Hα-helixtrans-62.3-43.3174.1-68.9-73000111L165 L169 V198 D199 V200 R204 L205 R206 I219 Y227L165-I202 HydrophobicContact CD2-CD1 3.79Å; L165-I202 HydrophobicContact CD2-CG1 4Å; L165-I202 HydrophobicContact CG-CD1 4.28Å; L169-I202 HydrophobicContact CD1-CD1 3.98Å; V198-I202 HydrophobicContact CG1-CG1 4.2Å; V198-I202 WeakPolarHBondContact O-CB 3.43Å; V198-I202 VanDerWaalsContact O-CG1 3.23Å; V198-I202 WeakPolarHBondContact O-CG1 3.13Å; V198-I202 PolarHBondContact O-N 2.79Å; D199-I202 PolarHBondContact O-N 3.18Å; V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 PolarHBondContact O-N 2.92Å; I202-R204 VanDerWaalsContact C-N 3.33Å; I202-R204 PolarHBondContact O-N 3.46Å; I202-L205 PolarHBondContact O-N 3.34Å; I202-R206 WeakPolarHBondContact O-CG 3.44Å; I202-R206 PolarHBondContact O-N 2.68Å; I202-I219 HydrophobicContact CD1-CG2 3.67Å; I202-I219 HydrophobicContact CG2-CG2 3.91Å; I202-Y227 HydrophobicContact CB-CD1 4.41Å; I202-Y227 HydrophobicContact CB-CE1 4.18Å; I202-Y227 HydrophobicContact CD1-CD1 4.3Å; I202-Y227 HydrophobicContact CD1-CD2 4.26Å; I202-Y227 HydrophobicContact CD1-CG 3.96Å; I202-Y227 HydrophobicContact CG1-CD1 4.12Å; I202-Y227 HydrophobicContact CG1-CD2 3.86Å; I202-Y227 HydrophobicContact CG1-CE1 4.23Å; I202-Y227 HydrophobicContact CG1-CE2 4.02Å; I202-Y227 HydrophobicContact CG1-CG 3.91Å; I202-Y227 HydrophobicContact CG2-CD1 3.7Å; I202-Y227 HydrophobicContact CG2-CE1 3.56Å; I202-Y227 HydrophobicContact CG2-CG 4.35Å
203R95.2Very high92.2Very high128 Ų12841.9 Ų41.948%0.48320%0.204SC..Hα-helixtrans-57.2-48.6177.5176.9-176.3174.2169.26.6111.1E93 D199 V200 T201 R206 E207E93-R203 IonicContact OE1-CZ 2.7Å; E93-R203 IonicContact OE1-NH1 3.86Å; E93-R203 PolarHBondContact OE1-NH1 3.24Å; D199-R203 PolarHBondContact O-N 3.37Å; V200-R203 WeakPolarHBondContact O-CB 3.3Å; V200-R203 PolarHBondContact O-N 2.66Å; T201-R203 VanDerWaalsContact C-N 3.35Å; T201-R203 PolarHBondContact O-N 3.34Å; R203-R206 WeakPolarHBondContact O-CB 3.41Å; R203-R206 PolarHBondContact O-N 2.75Å; R203-R206 VanDerWaalsContact O-N 3.13Å; R203-E207 IonicContact CZ-OE1 3.87Å; R203-E207 IonicContact NE-OE1 3.79Å; R203-E207 PolarHBondContact NE-OE1 3.03Å; R203-E207 IonicContact NH2-OE1 3.44Å; R203-E207 WeakPolarHBondContact O-CG 3.33Å; R203-E207 PolarHBondContact O-N 3.49Å
204R93.9Very high93.2Very high19 Ų1945.8 Ų45.87%0.07223%0.228CC..Hα-helixtrans-63.7-43.7178.6-68.9158.5150.9-148.5-21.8113L92 E93 E162 V200 T201 I202 R206 E207 K208L92-R204 PolarHBondContact O-NE 2.52Å; L92-R204 PolarHBondContact O-NH1 3.47Å; L92-R204 PolarHBondContact O-NH2 3.13Å; E93-R204 PolarHBondContact O-NE 3.46Å; E93-R204 PolarHBondContact O-NH2 2.68Å; E162-R204 WeakPolarHBondContact OE1-CB 3.18Å; V200-R204 WeakPolarHBondContact O-CD 3.48Å; V200-R204 WeakPolarHBondContact O-CG 3.33Å; V200-R204 PolarHBondContact O-N 2.84Å; V200-R204 VanDerWaalsContact O-N 3.07Å; T201-R204 PolarHBondContact O-N 2.88Å; I202-R204 VanDerWaalsContact C-N 3.33Å; I202-R204 PolarHBondContact O-N 3.46Å; R204-R206 PolarHBondContact O-N 3.04Å; R204-E207 PolarHBondContact O-N 3.2Å; R204-E207 VanDerWaalsContact O-N 3.14Å; R204-K208 WeakPolarHBondContact O-CG 3.41Å; R204-K208 PolarHBondContact O-N 3.06Å
205L96.1Very high93.7Very high0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-55.9-42.7173.4-80.8170.9000110.4L158 E162 L165 F166 T201 I202 K208 I209 I219L158-L205 HydrophobicContact CD1-CD2 4.29Å; L158-L205 HydrophobicContact CD2-CD2 4.01Å; E162-L205 HydrophobicContact CB-CD2 3.77Å; E162-L205 HydrophobicContact CB-CG 4.13Å; E162-L205 HydrophobicContact CG-CD2 4.45Å; E162-L205 HydrophobicContact CG-CG 4.38Å; E162-L205 WeakPolarHBondContact O-CD2 3.43Å; L165-L205 HydrophobicContact CB-CD1 4.16Å; L165-L205 HydrophobicContact CD2-CD1 3.84Å; L165-L205 HydrophobicContact CG-CD1 3.97Å; F166-L205 HydrophobicContact CB-CD1 4.21Å; F166-L205 HydrophobicContact CB-CD2 4Å; F166-L205 HydrophobicContact CD2-CD2 4.47Å; T201-L205 HydrophobicContact CG2-CD1 4.4Å; T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 WeakPolarHBondContact O-CG 3.43Å; T201-L205 PolarHBondContact O-N 3.4Å; I202-L205 PolarHBondContact O-N 3.34Å; L205-K208 PolarHBondContact O-N 3.24Å; L205-I209 HydrophobicContact CB-CD1 4.46Å; L205-I209 HydrophobicContact CD2-CD1 3.66Å; L205-I209 WeakPolarHBondContact O-CA 3.28Å; L205-I209 WeakPolarHBondContact O-CB 3.4Å; L205-I209 VanDerWaalsContact O-CG1 3.32Å; L205-I209 WeakPolarHBondContact O-CG1 3.39Å; L205-I209 PolarHBondContact O-N 3.23Å; L205-I219 HydrophobicContact CB-CD1 3.53Å; L205-I219 HydrophobicContact CD1-CD1 4.17Å; L205-I219 HydrophobicContact CG-CD1 4.4Å
206R97.2Very high94.2Very high34 Ų3449.3 Ų49.313%0.12824%0.243CC..Hα-helixtrans-64.7-43.9175.7-71.1176.6175.9164.4-0.5112.8I202 R203 R204 K208 I209 E210 P213 P216 I219 T221I202-R206 WeakPolarHBondContact O-CG 3.44Å; I202-R206 PolarHBondContact O-N 2.68Å; R203-R206 WeakPolarHBondContact O-CB 3.41Å; R203-R206 PolarHBondContact O-N 2.75Å; R203-R206 VanDerWaalsContact O-N 3.13Å; R204-R206 PolarHBondContact O-N 3.04Å; R206-K208 PolarHBondContact O-N 3.3Å; R206-I209 PolarHBondContact O-N 2.81Å; R206-E210 HydrophobicContact CB-CG 3.78Å; R206-E210 HydrophobicContact CG-CG 3.81Å; R206-E210 VanDerWaalsContact O-CB 3.25Å; R206-E210 WeakPolarHBondContact O-CB 3.31Å; R206-E210 PolarHBondContact O-N 3.34Å; R206-P213 HydrophobicContact CB-CB 4.06Å; R206-P216 HydrophobicContact CG-CB 4.2Å; R206-I219 HydrophobicContact CG-CB 4.32Å; R206-I219 PolarHBondContact NE-O 2.9Å; R206-I219 PolarHBondContact NH2-O 3.48Å; R206-T221 PolarHBondContact NH1-OG1 3.39Å; R206-T221 PolarHBondContact NH2-OG1 3.13Å
207E95.4Very high94.6Very high105 Ų10549.2 Ų49.249%0.49125%0.247SC..Hα-helixtrans-58-30.1176.3-71.9169.1-179.800112.7R203 R204 P213R203-E207 IonicContact CZ-OE1 3.87Å; R203-E207 IonicContact NE-OE1 3.79Å; R203-E207 PolarHBondContact NE-OE1 3.03Å; R203-E207 IonicContact NH2-OE1 3.44Å; R203-E207 WeakPolarHBondContact O-CG 3.33Å; R203-E207 PolarHBondContact O-N 3.49Å; R204-E207 PolarHBondContact O-N 3.2Å; R204-E207 VanDerWaalsContact O-N 3.14Å; E207-P213 HydrophobicContact CG-CB 4.38Å; E207-P213 HydrophobicContact CG-CG 4.4Å
208K94.8Very high95.1Very high85 Ų8549.3 Ų49.337%0.3725%0.247SC..Hα-helixtrans-94-32.6179.8-64.3179.6179.2-168.60114.3I156 E157 L158 E162 R204 L205 R206I156-K208 HydrophobicContact CG2-CB 3.99Å; E157-K208 WeakPolarHBondContact O-CD 3.22Å; E157-K208 PolarHBondContact O-NZ 3.11Å; L158-K208 HydrophobicContact CD2-CB 4.31Å; L158-K208 HydrophobicContact CD2-CD 3.62Å; E162-K208 IonicContact OE1-NZ 2.66Å; E162-K208 IonicContact OE2-NZ 3.05Å; E162-K208 PolarHBondContact OE2-NZ 3.04Å; R204-K208 WeakPolarHBondContact O-CG 3.41Å; R204-K208 PolarHBondContact O-N 3.06Å; L205-K208 PolarHBondContact O-N 3.24Å; R206-K208 PolarHBondContact O-N 3.3Å
209I95.5Very high95.3Very high0 Ų049.3 Ų49.30%025%0.247CC..Hα-helixtrans-105.6-33.9-168.9-64.2178.2000112.7I140 K151 I156 F166 L205 R206 Y218I140-I209 HydrophobicContact CD1-CG2 3.32Å; K151-I209 WeakPolarHBondContact CD-O 3.28Å; K151-I209 WeakPolarHBondContact CE-O 3.33Å; K151-I209 PolarHBondContact NZ-O 3.16Å; I156-I209 HydrophobicContact CD1-CG1 4.04Å; F166-I209 HydrophobicContact CD1-CD1 4.45Å; F166-I209 HydrophobicContact CD2-CD1 3.45Å; F166-I209 VanDerWaalsContact CD2-CD1 3.45Å; F166-I209 HydrophobicContact CE1-CD1 4.46Å; F166-I209 HydrophobicContact CE2-CD1 3.5Å; F166-I209 HydrophobicContact CE2-CG2 4.16Å; F166-I209 HydrophobicContact CG-CD1 3.94Å; F166-I209 HydrophobicContact CZ-CD1 4.02Å; F166-I209 HydrophobicContact CZ-CG2 4.38Å; L205-I209 HydrophobicContact CB-CD1 4.46Å; L205-I209 HydrophobicContact CD2-CD1 3.66Å; L205-I209 WeakPolarHBondContact O-CA 3.28Å; L205-I209 WeakPolarHBondContact O-CB 3.4Å; L205-I209 VanDerWaalsContact O-CG1 3.32Å; L205-I209 WeakPolarHBondContact O-CG1 3.39Å; L205-I209 PolarHBondContact O-N 3.23Å; R206-I209 PolarHBondContact O-N 2.81Å; I209-Y218 HydrophobicContact CG2-CD2 4.09Å; I209-Y218 HydrophobicContact CG2-CG 4.32Å
210E96.6Very high95.4Very high12 Ų1248.5 Ų48.56%0.05624%0.244CC..  trans-82.7146.9-176.2-58.1-73.4179.200110.7R206 D212 P216 E217 Y218 I219R206-E210 HydrophobicContact CB-CG 3.78Å; R206-E210 HydrophobicContact CG-CG 3.81Å; R206-E210 VanDerWaalsContact O-CB 3.25Å; R206-E210 WeakPolarHBondContact O-CB 3.31Å; R206-E210 PolarHBondContact O-N 3.34Å; E210-D212 VanDerWaalsContact C-N 3.33Å; E210-P216 VanDerWaalsContact CD-CA 3.43Å; E210-P216 HydrophobicContact CG-CB 3.84Å; E210-P216 VanDerWaalsContact OE1-CB 3.27Å; E210-P216 WeakPolarHBondContact OE1-CB 3.3Å; E210-P216 WeakPolarHBondContact OE2-CA 3.34Å; E210-E217 PolarHBondContact OE1-N 3.15Å; E210-E217 PolarHBondContact OE2-N 2.73Å; E210-Y218 WeakPolarHBondContact OE1-CA 3.26Å; E210-Y218 WeakPolarHBondContact OE1-CB 3.29Å; E210-Y218 PolarHBondContact OE1-N 2.94Å; E210-Y218 WeakPolarHBondContact OE2-CD2 3.42Å; E210-Y218 PolarHBondContact OE2-N 2.96Å; E210-Y218 VanDerWaalsContact OE2-N 3.15Å; E210-I219 PolarHBondContact OE1-N 3.24Å
211D95.3Very high95.7Very high100 Ų10050.3 Ų50.354%0.53526%0.255SS..SBendtrans-70.2-35168.9-72.5-20.3000110.5K151 R152K151-D211 WeakPolarHBondContact CE-OD1 3.15Å; K151-D211 IonicContact NZ-OD1 3.98Å; K151-D211 PolarHBondContact NZ-OD1 2.78Å; R152-D211 IonicContact CZ-OD2 3.73Å; R152-D211 IonicContact NH1-OD2 3.91Å; R152-D211 IonicContact NH2-OD1 2.8Å; R152-D211 IonicContact NH2-OD2 3.76Å; R152-D211 PolarHBondContact NH2-OD2 2.9Å
212D96.1Very high95.8Very high69 Ų6957.4 Ų57.437%0.36928%0.281SS..SBendtrans-130.5105.4168.7-179.2-7.7000109.9E210 S214 H215E210-D212 VanDerWaalsContact C-N 3.33Å; D212-S214 PolarHBondContact O-N 2.92Å; D212-S214 VanDerWaalsContact O-N 3.13Å; D212-S214 WeakPolarHBondContact OD1-CA 3.46Å; D212-S214 VanDerWaalsContact OD1-CB 3.32Å; D212-S214 WeakPolarHBondContact OD1-CB 3.39Å; D212-S214 PolarHBondContact OD1-N 3.08Å; D212-H215 HydrophobicContact CB-CB 4.36Å; D212-H215 CarbonylContact O-C 3.55Å; D212-H215 PolarHBondContact O-N 3.33Å; D212-H215 PolarHBondContact OD1-N 2.85Å; D212-H215 IonicContact OD1-ND1 2.94Å; D212-H215 IonicContact OD2-CE1 3.54Å; D212-H215 IonicContact OD2-CG 2.89Å; D212-H215 IonicContact OD2-ND1 3.73Å; D212-H215 PolarHBondContact OD2-ND1 2.98Å
213P94.5Very high95.7Very high48 Ų4868.4 Ų68.431%0.31232%0.323SS..THydrogen-bonded Turntrans-60.6-22.7180-24.834.6000114.6R206 E207R206-P213 HydrophobicContact CB-CB 4.06Å; E207-P213 HydrophobicContact CG-CB 4.38Å; E207-P213 HydrophobicContact CG-CG 4.4Å
214S94.1Very high95.5Very high99 Ų9966.2 Ų66.269%0.69234%0.34SS*.THydrogen-bonded Turntrans-81.2-23.5177.6-57.30000112.4D212 P216D212-S214 PolarHBondContact O-N 2.92Å; D212-S214 VanDerWaalsContact O-N 3.13Å; D212-S214 WeakPolarHBondContact OD1-CA 3.46Å; D212-S214 VanDerWaalsContact OD1-CB 3.32Å; D212-S214 WeakPolarHBondContact OD1-CB 3.39Å; D212-S214 PolarHBondContact OD1-N 3.08Å; S214-P216 VanDerWaalsContact C-CD 3.4Å; S214-P216 WeakPolarHBondContact O-CD 3.37Å
215H94.7Very high95.6Very high136 Ų13668.2 Ų68.263%0.6335%0.354SS*.SBendtrans-123.965.5175.8-5997.3000110D212 E217D212-H215 HydrophobicContact CB-CB 4.36Å; D212-H215 CarbonylContact O-C 3.55Å; D212-H215 PolarHBondContact O-N 3.33Å; D212-H215 PolarHBondContact OD1-N 2.85Å; D212-H215 IonicContact OD1-ND1 2.94Å; D212-H215 IonicContact OD2-CE1 3.54Å; D212-H215 IonicContact OD2-CG 2.89Å; D212-H215 IonicContact OD2-ND1 3.73Å; D212-H215 PolarHBondContact OD2-ND1 2.98Å; H215-E217 PolarHBondContact O-N 3.02Å
216P96Very high95.6Very high31 Ų3168.2 Ų68.220%0.20135%0.354CS..  trans-66.7131.7-172.329.5-37.3000111.5R206 E210 S214 I219R206-P216 HydrophobicContact CG-CB 4.2Å; E210-P216 VanDerWaalsContact CD-CA 3.43Å; E210-P216 HydrophobicContact CG-CB 3.84Å; E210-P216 VanDerWaalsContact OE1-CB 3.27Å; E210-P216 WeakPolarHBondContact OE1-CB 3.3Å; E210-P216 WeakPolarHBondContact OE2-CA 3.34Å; S214-P216 VanDerWaalsContact C-CD 3.4Å; S214-P216 WeakPolarHBondContact O-CD 3.37Å; P216-I219 WeakPolarHBondContact CB-O 3.19Å
217E95.2Very high95.6Very high98 Ų9867.3 Ų67.346%0.45835%0.351SS..SBendtrans-98.7-29176.1-66.6-169.6171.800112.5K138 E210 H215 Q230 H232K138-E217 IonicContact NZ-OE2 2.69Å; K138-E217 PolarHBondContact NZ-OE2 3.16Å; E210-E217 PolarHBondContact OE1-N 3.15Å; E210-E217 PolarHBondContact OE2-N 2.73Å; H215-E217 PolarHBondContact O-N 3.02Å; E217-Q230 WeakPolarHBondContact O-CB 3.44Å; E217-H232 PolarHBondContact O-CE1 3.2Å; E217-H232 PolarHBondContact O-NE2 2.81Å
218Y96.6Very high95.7Very high2 Ų263.7 Ų63.71%0.00833%0.333CS..SBendtrans-88.9-61.8179.6-64.3-84000110.6I137 K138 I140 I209 E210 L229 Q230I137-Y218 HydrophobicContact CG2-CD1 4.12Å; I137-Y218 HydrophobicContact CG2-CE1 4.25Å; K138-Y218 HydrophobicContact CB-CE1 3.96Å; K138-Y218 HydrophobicContact CD-CE1 4.27Å; K138-Y218 WeakPolarHBondContact CD-OH 3.42Å; I140-Y218 HydrophobicContact CD1-CD1 3.57Å; I140-Y218 HydrophobicContact CD1-CD2 4.07Å; I140-Y218 HydrophobicContact CD1-CE1 3.41Å; I140-Y218 VanDerWaalsContact CD1-CE1 3.41Å; I140-Y218 HydrophobicContact CD1-CE2 3.97Å; I140-Y218 HydrophobicContact CD1-CG 3.89Å; I140-Y218 HydrophobicContact CG1-CD1 4.47Å; I140-Y218 HydrophobicContact CG1-CE1 3.85Å; I209-Y218 HydrophobicContact CG2-CD2 4.09Å; I209-Y218 HydrophobicContact CG2-CG 4.32Å; E210-Y218 WeakPolarHBondContact OE1-CA 3.26Å; E210-Y218 WeakPolarHBondContact OE1-CB 3.29Å; E210-Y218 PolarHBondContact OE1-N 2.94Å; E210-Y218 WeakPolarHBondContact OE2-CD2 3.42Å; E210-Y218 PolarHBondContact OE2-N 2.96Å; E210-Y218 VanDerWaalsContact OE2-N 3.15Å; Y218-L229 CarbonylContact O-C 2.96Å; Y218-L229 WeakPolarHBondContact O-CA 3.31Å; Y218-L229 WeakPolarHBondContact O-CD1 3.37Å; Y218-Q230 PolarHBondContact O-N 3.4Å
219I97.6Very high95.8Very high0 Ų059.6 Ų59.60%032%0.316CS..EExtended strand (participates in β ladder)trans-10099.3-172.5-51.8171.7000108.9F166 L169 I202 L205 R206 E210 P216 L229F166-I219 HydrophobicContact CD2-CD1 3.77Å; F166-I219 HydrophobicContact CD2-CG1 4.12Å; F166-I219 HydrophobicContact CE2-CD1 3.99Å; F166-I219 HydrophobicContact CE2-CG1 3.96Å; L169-I219 HydrophobicContact CD1-CG2 4.27Å; I202-I219 HydrophobicContact CD1-CG2 3.67Å; I202-I219 HydrophobicContact CG2-CG2 3.91Å; L205-I219 HydrophobicContact CB-CD1 3.53Å; L205-I219 HydrophobicContact CD1-CD1 4.17Å; L205-I219 HydrophobicContact CG-CD1 4.4Å; R206-I219 HydrophobicContact CG-CB 4.32Å; R206-I219 PolarHBondContact NE-O 2.9Å; R206-I219 PolarHBondContact NH2-O 3.48Å; E210-I219 PolarHBondContact OE1-N 3.24Å; P216-I219 WeakPolarHBondContact CB-O 3.19Å; I219-L229 HydrophobicContact CG1-CD1 3.8Å
220V96.9Very high95.8Very high34 Ų3463 Ų6321%0.20633%0.331CS..EExtended strand (participates in β ladder)trans-99.7141.7-171.8-177.60000111.6Y227 F228 Q230V220-Y227 WeakPolarHBondContact O-CA 3.41Å; V220-F228 HydrophobicContact CB-CD1 4.17Å; V220-F228 HydrophobicContact CB-CD2 4.47Å; V220-F228 HydrophobicContact CB-CE1 3.62Å; V220-F228 HydrophobicContact CB-CE2 3.96Å; V220-F228 HydrophobicContact CB-CZ 3.5Å; V220-F228 HydrophobicContact CG1-CE1 3.55Å; V220-F228 HydrophobicContact CG1-CE2 4.36Å; V220-F228 HydrophobicContact CG1-CZ 3.47Å; V220-F228 VanDerWaalsContact CG1-CZ 3.47Å; V220-F228 HydrophobicContact CG2-CE2 4.44Å; V220-F228 HydrophobicContact CG2-CZ 4.3Å; V220-F228 PolarHBondContact N-O 2.96Å; V220-F228 WeakPolarHBondContact O-CD1 3.34Å; V220-F228 PolarHBondContact O-N 3.45Å; V220-Q230 HydrophobicContact CG2-CB 3.97Å
221T97.4Very high95.1Very high50 Ų5068.8 Ų68.831%0.30736%0.359SS..EExtended strand (participates in β ladder)trans-88.9123.9175.7-58.20000110.9R206 Y227R206-T221 PolarHBondContact NH1-OG1 3.39Å; R206-T221 PolarHBondContact NH2-OG1 3.13Å; T221-Y227 HydrophobicContact CG2-CD1 4.48Å; T221-Y227 HydrophobicContact CG2-CE1 4.15Å; T221-Y227 WeakPolarHBondContact OG1-CE1 3.44Å
222R96.5Very high94.1Very high154 Ų15466.7 Ų66.758%0.58135%0.345SS*.EExtended strand (participates in β ladder)trans-90102.4159.5-169.473.7174-169-1.9108.5V176 G224 V225 G226 F228V176-R222 HydrophobicContact CG1-CB 3.62Å; V176-R222 HydrophobicContact CG1-CG 4.02Å; V176-R222 HydrophobicContact CG2-CB 4.1Å; V176-R222 HydrophobicContact CG2-CG 4.21Å; R222-G224 PolarHBondContact O-N 2.67Å; R222-V225 HydrophobicContact CB-CB 4.22Å; R222-V225 HydrophobicContact CG-CB 3.98Å; R222-V225 HydrophobicContact CG-CG2 3.96Å; R222-V225 PolarHBondContact O-N 2.96Å; R222-G226 PolarHBondContact N-O 2.99Å; R222-G226 PolarHBondContact O-N 3.5Å; R222-F228 HydrophobicContact CB-CD1 4.5Å; R222-F228 HydrophobicContact CB-CE1 4.43Å
223R93.5Very high92.4Very high232 Ų23276.3 Ų76.388%0.87539%0.388SS*.THydrogen-bonded Turntrans-52.2132.9-175.7-68.3-173.6-179-179.10.3111.3V225R223-V225 PolarHBondContact O-N 2.98Å
224G92.2Very high92.3Very high82 Ų8277.7 Ų77.785%0.84539%0.392SS*.THydrogen-bonded Turntrans74-1.2-179.200000115.6R222R222-G224 PolarHBondContact O-N 2.67Å
225V94.7Very high92.2Very high62 Ų6276.6 Ų76.638%0.37638%0.376SS..THydrogen-bonded Turntrans-121.6-60-178.1-171.70000110.8V176 T178 R179 R222 R223V176-V225 HydrophobicContact CG1-CB 4.1Å; V176-V225 HydrophobicContact CG1-CG1 3.6Å; T178-V225 HydrophobicContact CG2-CG1 4.18Å; R179-V225 PolarHBondContact NH1-O 3.16Å; R222-V225 HydrophobicContact CB-CB 4.22Å; R222-V225 HydrophobicContact CG-CB 3.98Å; R222-V225 HydrophobicContact CG-CG2 3.96Å; R222-V225 PolarHBondContact O-N 2.96Å; R223-V225 PolarHBondContact O-N 2.98Å
226G96.7Very high92Very high0 Ų073.3 Ų73.30%036%0.362CS..EExtended strand (participates in β ladder)trans161.9-139.1-173.900000112.8M177 R222M177-G226 VanDerWaalsContact O-CA 3.31Å; M177-G226 WeakPolarHBondContact O-CA 3.31Å; R222-G226 PolarHBondContact N-O 2.99Å; R222-G226 PolarHBondContact O-N 3.5Å
227Y98.2Very high91.8Very high15 Ų1575.8 Ų75.86%0.05937%0.372CS..EExtended strand (participates in β ladder)trans-134.3154.4-168.7-56.8-83.3000111.4M177 R179 L182 V198 D199 I202 V220 T221M177-Y227 PolarHBondContact N-O 2.84Å; M177-Y227 PolarHBondContact O-N 2.8Å; R179-Y227 HydrophobicContact CG-CE2 4.21Å; R179-Y227 PolarHBondContact NH2-OH 3.02Å; L182-Y227 HydrophobicContact CD1-CD2 4.12Å; V198-Y227 HydrophobicContact CG1-CD2 4.25Å; V198-Y227 HydrophobicContact CG1-CE2 4.28Å; D199-Y227 VanDerWaalsContact CG-OH 3.31Å; D199-Y227 WeakPolarHBondContact OD1-CE2 3.34Å; D199-Y227 PolarHBondContact OD1-OH 3.39Å; I202-Y227 HydrophobicContact CB-CD1 4.41Å; I202-Y227 HydrophobicContact CB-CE1 4.18Å; I202-Y227 HydrophobicContact CD1-CD1 4.3Å; I202-Y227 HydrophobicContact CD1-CD2 4.26Å; I202-Y227 HydrophobicContact CD1-CG 3.96Å; I202-Y227 HydrophobicContact CG1-CD1 4.12Å; I202-Y227 HydrophobicContact CG1-CD2 3.86Å; I202-Y227 HydrophobicContact CG1-CE1 4.23Å; I202-Y227 HydrophobicContact CG1-CE2 4.02Å; I202-Y227 HydrophobicContact CG1-CG 3.91Å; I202-Y227 HydrophobicContact CG2-CD1 3.7Å; I202-Y227 HydrophobicContact CG2-CE1 3.56Å; I202-Y227 HydrophobicContact CG2-CG 4.35Å; V220-Y227 WeakPolarHBondContact O-CA 3.41Å; T221-Y227 HydrophobicContact CG2-CD1 4.48Å; T221-Y227 HydrophobicContact CG2-CE1 4.15Å; T221-Y227 WeakPolarHBondContact OG1-CE1 3.44Å
228F97.3Very high91.6Very high28 Ų2874.4 Ų74.412%0.12337%0.366CS..EExtended strand (participates in β ladder)trans-147.4154171.963-77000109.9Q175 V176 V220 R222Q175-F228 WeakPolarHBondContact O-CB 3.38Å; V176-F228 HydrophobicContact CG2-CB 4.46Å; V176-F228 HydrophobicContact CG2-CD1 3.93Å; V176-F228 HydrophobicContact CG2-CE1 4.48Å; V176-F228 HydrophobicContact CG2-CG 4.33Å; V220-F228 HydrophobicContact CB-CD1 4.17Å; V220-F228 HydrophobicContact CB-CD2 4.47Å; V220-F228 HydrophobicContact CB-CE1 3.62Å; V220-F228 HydrophobicContact CB-CE2 3.96Å; V220-F228 HydrophobicContact CB-CZ 3.5Å; V220-F228 HydrophobicContact CG1-CE1 3.55Å; V220-F228 HydrophobicContact CG1-CE2 4.36Å; V220-F228 HydrophobicContact CG1-CZ 3.47Å; V220-F228 VanDerWaalsContact CG1-CZ 3.47Å; V220-F228 HydrophobicContact CG2-CE2 4.44Å; V220-F228 HydrophobicContact CG2-CZ 4.3Å; V220-F228 PolarHBondContact N-O 2.96Å; V220-F228 WeakPolarHBondContact O-CD1 3.34Å; V220-F228 PolarHBondContact O-N 3.45Å; R222-F228 HydrophobicContact CB-CD1 4.5Å; R222-F228 HydrophobicContact CB-CE1 4.43Å
229L97.1Very high91.2Very high0 Ų079.2 Ų79.20%039%0.39CS..EExtended strand (participates in β ladder)trans-83.8123.4165.8-155.669.4000108.5I137 F166 L169 M173 G174 Y218 I219 Q231I137-L229 HydrophobicContact CD1-CD2 3.34Å; F166-L229 HydrophobicContact CD2-CD1 4.21Å; F166-L229 HydrophobicContact CE2-CD1 3.51Å; F166-L229 HydrophobicContact CZ-CD1 3.95Å; F166-L229 HydrophobicContact CZ-CD2 4.29Å; L169-L229 HydrophobicContact CB-CB 4.03Å; M173-L229 HydrophobicContact CE-CD2 4.36Å; M173-L229 HydrophobicContact CG-CB 4.36Å; M173-L229 HydrophobicContact CG-CD2 4.12Å; G174-L229 PolarHBondContact N-O 3.26Å; Y218-L229 CarbonylContact O-C 2.96Å; Y218-L229 WeakPolarHBondContact O-CA 3.31Å; Y218-L229 WeakPolarHBondContact O-CD1 3.37Å; I219-L229 HydrophobicContact CG1-CD1 3.8Å; L229-Q231 PolarHBondContact O-N 3.27Å
230Q93.8Very high90.8Very high70 Ų7084.9 Ų84.933%0.32742%0.418SS..PPolyproline II helixtrans-61.1133.3178.2-178.76049.500109.5M173 E217 Y218 V220 H232M173-Q230 WeakPolarHBondContact CE-O 3.3Å; E217-Q230 WeakPolarHBondContact O-CB 3.44Å; Y218-Q230 PolarHBondContact O-N 3.4Å; V220-Q230 HydrophobicContact CG2-CB 3.97Å; Q230-H232 PolarHBondContact O-CD2 3.29Å; Q230-H232 VanDerWaalsContact O-CD2 3.24Å; Q230-H232 PolarHBondContact O-N 3.31Å
231Q82.4Confident90.3Very high134 Ų13488.8 Ų88.863%0.62643%0.434SS*.PPolyproline II helixtrans-75.2123.4171.1-165.21702.300108.6L229L229-Q231 PolarHBondContact O-N 3.27Å
232H74.5Confident89.7Confident56 Ų5692 Ų9226%0.25945%0.445SS..  trans-114.9135173.6-66-79.3000107.1K138 E217 Q230K138-H232 HydrophobicContact CB-CB 4.4Å; E217-H232 PolarHBondContact O-CE1 3.2Å; E217-H232 PolarHBondContact O-NE2 2.81Å; Q230-H232 PolarHBondContact O-CD2 3.29Å; Q230-H232 VanDerWaalsContact O-CD2 3.24Å; Q230-H232 PolarHBondContact O-N 3.31Å
233E60Low89.1Confident271 Ų27186.4 Ų86.4100%1.26643%0.432SS*.  trans-74.30175.7-70.6-175.2164.600112.2

Retrieved 233 of 233 residues in 1109.1 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).