A0A077Z0H7_TRITR Loading...

Putative atp synthase f1 delta subunit

AlphaFold DB , UniProt , Accession A0A077Z0H7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 199 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
1M33.8Very low71.4Confident239 Ų239104.9 Ų104.9100%1.17756%0.564SS**  0113.30-80.1179.4-7900107.2G3M1-G3 PolarHBondContact O-N 3.08Å; M1-G3 VanDerWaalsContact O-N 3.13Å
2I34.9Very low73.6Confident176 Ų17696.4 Ų96.490%0.90352%0.518SS*.  trans-70108.5169.9-54.9171.5000104.3V4I2-V4 PolarHBondContact O-N 2.97Å
3G41.8Very low75.3Confident61 Ų6193.5 Ų93.563%0.62951%0.506SS*.  trans-51.1133.3-174.600000110M1 S5M1-G3 PolarHBondContact O-N 3.08Å; M1-G3 VanDerWaalsContact O-N 3.13Å; G3-S5 VanDerWaalsContact C-N 3.31Å; G3-S5 PolarHBondContact O-N 2.75Å
4V48.6Very low76.7Confident124 Ų12498.4 Ų98.475%0.75252%0.52SS*.  trans-58101.8170.5-179.70000105.7I2 H6I2-V4 PolarHBondContact O-N 2.97Å; V4-H6 PolarHBondContact O-N 3.28Å
5S61.8Low78Confident51 Ų51102.2 Ų102.236%0.35753%0.534SS..  trans-62.1107.9-175.353.10000108.1G3 F7G3-S5 VanDerWaalsContact C-N 3.31Å; G3-S5 PolarHBondContact O-N 2.75Å; S5-F7 WeakPolarHBondContact O-CD2 3.47Å; S5-F7 PolarHBondContact O-N 3.41Å; S5-F7 WeakPolarHBondContact OG-CE2 3.32Å; S5-F7 WeakPolarHBondContact OG-CZ 3.38Å
6H82.9Confident79.1Confident165 Ų16597.2 Ų97.276%0.76451%0.508SS*.  trans-71.396.8-177.8-83.9-74000109.5V4V4-H6 PolarHBondContact O-N 3.28Å
7F93.5Very high80.2Confident46 Ų4695.8 Ų95.820%0.20250%0.497CS..  trans-85.2112.8174.1-65.4-54.1000110.9S5 V65 R66 V73 L119 L124S5-F7 WeakPolarHBondContact O-CD2 3.47Å; S5-F7 PolarHBondContact O-N 3.41Å; S5-F7 WeakPolarHBondContact OG-CE2 3.32Å; S5-F7 WeakPolarHBondContact OG-CZ 3.38Å; F7-V65 HydrophobicContact CB-CG1 3.63Å; F7-V65 HydrophobicContact CD1-CG1 4.15Å; F7-V65 HydrophobicContact CG-CG1 4.19Å; F7-R66 WeakPolarHBondContact CA-O 3.39Å; F7-V73 HydrophobicContact CD1-CG2 3.83Å; F7-V73 HydrophobicContact CE1-CG2 3.99Å; F7-L119 HydrophobicContact CE1-CD1 4.07Å; F7-L119 HydrophobicContact CZ-CD1 4.29Å; F7-L119 HydrophobicContact CZ-CD2 4.03Å; F7-L124 HydrophobicContact CB-CD2 4.23Å; F7-L124 HydrophobicContact CD2-CD2 3.89Å; F7-L124 HydrophobicContact CE2-CD2 4.43Å; F7-L124 HydrophobicContact CG-CD2 4.01Å
8K95.4Very high81.1Confident139 Ų13998.2 Ų98.260%0.60451%0.506SS*.EExtended strand (participates in β ladder)trans-98.1125.1179.3-175.2-179176.1-171.30110.4V65 R66K8-V65 CarbonylContact O-C 3.57Å; K8-V65 VanDerWaalsContact O-CA 3.27Å; K8-V65 WeakPolarHBondContact O-CA 2.87Å; K8-R66 PolarHBondContact N-O 3.48Å; K8-R66 PolarHBondContact O-N 3.34Å
9L97.4Very high81.9Confident55 Ų5597.2 Ų97.229%0.28850%0.501SS..EExtended strand (participates in β ladder)trans-80.3132.6168.9-176.175000108.4Y63 V64 V65 L128 A131L9-Y63 HydrophobicContact CD1-CD1 4.23Å; L9-Y63 HydrophobicContact CD1-CG 4.4Å; L9-Y63 HydrophobicContact CD2-CD1 4.41Å; L9-Y63 HydrophobicContact CG-CD1 4.18Å; L9-V64 WeakPolarHBondContact CA-O 3.37Å; L9-V65 HydrophobicContact CD1-CG2 4.13Å; L9-L128 HydrophobicContact CD1-CD2 3.75Å; L9-L128 HydrophobicContact CD1-CG 4.49Å; L9-A131 HydrophobicContact CD2-CB 3.76Å
10A97.3Very high82.7Confident26 Ų2692.4 Ų92.422%0.21548%0.476CS..EExtended strand (participates in β ladder)trans-139.9152.9176.400000110.2Y63 V64A10-Y63 WeakPolarHBondContact O-CA 3.49Å; A10-V64 HydrophobicContact CB-CG2 4.19Å; A10-V64 PolarHBondContact N-O 2.95Å; A10-V64 PolarHBondContact O-N 2.96Å
11K97.8Very high83.5Confident72 Ų7288 Ų8831%0.31345%0.454SS..EExtended strand (participates in β ladder)trans-70.2147.3166.4-78.4-160.1171.4-154.40109.5D60 Y63K11-D60 VanDerWaalsContact NZ-CG 3.33Å; K11-D60 PolarHBondContact NZ-O 2.8Å; K11-D60 IonicContact NZ-OD1 3.35Å; K11-D60 PolarHBondContact NZ-OD1 3Å; K11-D60 IonicContact NZ-OD2 2.78Å; K11-D60 PolarHBondContact NZ-OD2 3.44Å; K11-Y63 HydrophobicContact CG-CD1 4.22Å; K11-Y63 HydrophobicContact CG-CE1 3.77Å
12V98Very high86.5Confident3 Ų380 Ų802%0.01842%0.415CS..  trans-81.9128.4170-174.50000108.9D16 V20 L57 S62 V64V12-D16 WeakPolarHBondContact CA-OD2 3.3Å; V12-D16 HydrophobicContact CG1-CB 3.78Å; V12-V20 HydrophobicContact CG1-CG2 3.8Å; V12-V20 HydrophobicContact CG2-CG2 4.47Å; V12-L57 HydrophobicContact CB-CD2 4.28Å; V12-L57 HydrophobicContact CG1-CD2 3.49Å; V12-L57 VanDerWaalsContact CG1-CD2 3.49Å; V12-S62 PolarHBondContact N-O 2.84Å; V12-V64 HydrophobicContact CG2-CB 4.3Å; V12-V64 HydrophobicContact CG2-CG1 3.55Å; V12-V64 HydrophobicContact CG2-CG2 4.21Å
13T95.9Very high89.5Confident58 Ų5872.2 Ų72.236%0.35638%0.375SS..  trans-107.4180174.574.40000111.4E15 D16T13-E15 WeakPolarHBondContact CB-OE2 3.3Å; T13-E15 PolarHBondContact O-N 3.01Å; T13-E15 PolarHBondContact OG1-N 2.92Å; T13-E15 PolarHBondContact OG1-OE2 3.23Å; T13-D16 PolarHBondContact N-OD2 3.44Å; T13-D16 PolarHBondContact O-N 3.29Å; T13-D16 PolarHBondContact OG1-OD2 3.06Å
14K95Very high92.1Very high162 Ų16269.3 Ų69.370%0.70435%0.345SS*.SBendtrans-66-31.6177.7-69.1-179.7179.6177.20111.8D16 K17K14-D16 PolarHBondContact O-N 2.97Å; K14-K17 WeakPolarHBondContact O-CB 3.48Å; K14-K17 PolarHBondContact O-N 3.3Å
15E95.6Very high94.4Very high156 Ų15664.1 Ų64.173%0.72931%0.313SS*.THydrogen-bonded Turntrans-66.9-27.8177.9-60.271.4-152.200111.6T13 K17T13-E15 WeakPolarHBondContact CB-OE2 3.3Å; T13-E15 PolarHBondContact O-N 3.01Å; T13-E15 PolarHBondContact OG1-N 2.92Å; T13-E15 PolarHBondContact OG1-OE2 3.23Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 3.26Å
16D96.5Very high96Very high22 Ų2264.8 Ų64.812%0.11832%0.318CS..THydrogen-bonded Turntrans-79.3-4.4178.4-61.4-43.7000113.6V12 T13 K14 E18 D19 V20 R66V12-D16 WeakPolarHBondContact CA-OD2 3.3Å; V12-D16 HydrophobicContact CG1-CB 3.78Å; T13-D16 PolarHBondContact N-OD2 3.44Å; T13-D16 PolarHBondContact O-N 3.29Å; T13-D16 PolarHBondContact OG1-OD2 3.06Å; K14-D16 PolarHBondContact O-N 2.97Å; D16-E18 VanDerWaalsContact C-N 3.3Å; D16-E18 PolarHBondContact O-N 2.77Å; D16-D19 PolarHBondContact O-N 3.45Å; D16-V20 HydrophobicContact CB-CG2 4.38Å; D16-V20 WeakPolarHBondContact O-CB 3.39Å; D16-V20 WeakPolarHBondContact O-CG2 3.28Å; D16-V20 PolarHBondContact O-N 3.35Å; D16-R66 IonicContact OD1-CZ 3.71Å; D16-R66 IonicContact OD1-NH2 3.9Å; D16-R66 PolarHBondContact OD1-NH2 2.65Å
17K96.9Very high96.5Very high73 Ų7357.2 Ų57.232%0.31728%0.283SS..Hα-helixtrans-54.3-46.6-170.8-179.6174-178-1800112.3K14 E15 V21 D50 I53 L57K14-K17 WeakPolarHBondContact O-CB 3.48Å; K14-K17 PolarHBondContact O-N 3.3Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 3.26Å; K17-V21 WeakPolarHBondContact O-CG2 3.46Å; K17-V21 PolarHBondContact O-N 2.92Å; K17-D50 PolarHBondContact NZ-O 3.26Å; K17-I53 HydrophobicContact CG-CG2 3.92Å; K17-L57 HydrophobicContact CB-CD1 3.79Å; K17-L57 HydrophobicContact CD-CD1 4.11Å; K17-L57 HydrophobicContact CG-CD1 3.94Å
18E97Very high96.6Very high140 Ų14056.5 Ų56.565%0.65428%0.28SS*.Hα-helixtrans-67.7-45-177.1-172.8172.4-176.700111.6D16 V20 V21 N22D16-E18 VanDerWaalsContact C-N 3.3Å; D16-E18 PolarHBondContact O-N 2.77Å; E18-V20 VanDerWaalsContact C-N 3.33Å; E18-V20 PolarHBondContact O-N 2.8Å; E18-V21 PolarHBondContact O-N 3.23Å; E18-N22 WeakPolarHBondContact O-CB 3.21Å; E18-N22 PolarHBondContact O-N 2.92Å; E18-N22 PolarHBondContact O-ND2 2.97Å
19D96.8Very high96.5Very high79 Ų7950.5 Ų50.542%0.42225%0.254SS..Hα-helixtrans-58.9-43.6176-76.3-3.6000112.1D16 N22 F23 R66 I72D16-D19 PolarHBondContact O-N 3.45Å; D19-N22 PolarHBondContact O-N 3.1Å; D19-F23 WeakPolarHBondContact O-CB 3.34Å; D19-F23 PolarHBondContact O-N 3.18Å; D19-R66 IonicContact OD2-NH1 2.64Å; D19-R66 IonicContact OD2-NH2 3.85Å; D19-I72 HydrophobicContact CB-CD1 3.74Å
20V98.1Very high96.3Very high0 Ų053.5 Ų53.50%027%0.265CS..Hα-helixtrans-61.8-49.4177.5165.50000110.6V12 D16 E18 N22 F23 L24 I53 V64 I72 M75 I77V12-V20 HydrophobicContact CG1-CG2 3.8Å; V12-V20 HydrophobicContact CG2-CG2 4.47Å; D16-V20 HydrophobicContact CB-CG2 4.38Å; D16-V20 WeakPolarHBondContact O-CB 3.39Å; D16-V20 WeakPolarHBondContact O-CG2 3.28Å; D16-V20 PolarHBondContact O-N 3.35Å; E18-V20 VanDerWaalsContact C-N 3.33Å; E18-V20 PolarHBondContact O-N 2.8Å; V20-N22 VanDerWaalsContact C-N 3.33Å; V20-N22 PolarHBondContact O-N 3.03Å; V20-F23 PolarHBondContact O-N 2.69Å; V20-L24 HydrophobicContact CG1-CD1 4.36Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 2.9Å; V20-I53 HydrophobicContact CG1-CD1 3.61Å; V20-I53 HydrophobicContact CG1-CG1 3.88Å; V20-I53 HydrophobicContact CG1-CG2 4.3Å; V20-V64 HydrophobicContact CG2-CG1 4.3Å; V20-I72 HydrophobicContact CG2-CD1 3.82Å; V20-M75 HydrophobicContact CG1-CE 4.25Å; V20-M75 HydrophobicContact CG1-SD 3.78Å; V20-I77 HydrophobicContact CG1-CD1 3.82Å; V20-I77 HydrophobicContact CG1-CG1 4.48Å
21V98.2Very high96Very high1 Ų155.9 Ų55.91%0.00627%0.272CS..Hα-helixtrans-62.6-42.3178.6171.30000110.7K17 E18 F23 L24 L25 K46 F49 I53K17-V21 WeakPolarHBondContact O-CG2 3.46Å; K17-V21 PolarHBondContact O-N 2.92Å; E18-V21 PolarHBondContact O-N 3.23Å; V21-F23 VanDerWaalsContact C-N 3.34Å; V21-F23 PolarHBondContact O-N 3.42Å; V21-L24 PolarHBondContact O-N 2.98Å; V21-L25 HydrophobicContact CG1-CD1 3.8Å; V21-L25 HydrophobicContact CG1-CG 4.28Å; V21-L25 WeakPolarHBondContact O-CB 2.98Å; V21-L25 VanDerWaalsContact O-CG 3.26Å; V21-L25 WeakPolarHBondContact O-CG 3.39Å; V21-L25 PolarHBondContact O-N 3.18Å; V21-K46 HydrophobicContact CG1-CG 4.2Å; V21-F49 HydrophobicContact CG1-CB 4.32Å; V21-I53 HydrophobicContact CG2-CB 4.25Å; V21-I53 HydrophobicContact CG2-CG1 3.95Å
22N97.2Very high95.7Very high70 Ų7053.2 Ų53.237%0.37426%0.26SS..Hα-helixtrans-62.8-39.3177.3-73.4-23.4000112.3E18 D19 V20 L25 S26E18-N22 WeakPolarHBondContact O-CB 3.21Å; E18-N22 PolarHBondContact O-N 2.92Å; E18-N22 PolarHBondContact O-ND2 2.97Å; D19-N22 PolarHBondContact O-N 3.1Å; V20-N22 VanDerWaalsContact C-N 3.33Å; V20-N22 PolarHBondContact O-N 3.03Å; N22-L25 PolarHBondContact O-N 3.24Å; N22-S26 VanDerWaalsContact O-CB 3.28Å; N22-S26 WeakPolarHBondContact O-CB 3.47Å; N22-S26 PolarHBondContact O-N 3.45Å; N22-S26 PolarHBondContact O-OG 2.99Å
23F97.3Very high95.3Very high14 Ų1453 Ų536%0.06126%0.259CS..Hα-helixtrans-64.6-43.2173.8-175.4-78.8000111.6D19 V20 V21 L25 S26 D27 I72 M75 H116D19-F23 WeakPolarHBondContact O-CB 3.34Å; D19-F23 PolarHBondContact O-N 3.18Å; V20-F23 PolarHBondContact O-N 2.69Å; V21-F23 VanDerWaalsContact C-N 3.34Å; V21-F23 PolarHBondContact O-N 3.42Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 3.04Å; F23-S26 PolarHBondContact O-N 2.96Å; F23-S26 PolarHBondContact O-OG 3.14Å; F23-D27 HydrophobicContact CE1-CB 4.34Å; F23-D27 HydrophobicContact CZ-CB 4.45Å; F23-D27 PolarHBondContact O-N 3.26Å; F23-I72 HydrophobicContact CB-CG2 4.36Å; F23-I72 HydrophobicContact CD2-CB 4Å; F23-I72 HydrophobicContact CD2-CG2 3.7Å; F23-I72 VanDerWaalsContact CD2-O 3.26Å; F23-I72 WeakPolarHBondContact CD2-O 3.47Å; F23-I72 HydrophobicContact CE2-CG2 4.05Å; F23-I72 WeakPolarHBondContact CE2-O 3.29Å; F23-I72 HydrophobicContact CG-CB 4.45Å; F23-I72 HydrophobicContact CG-CG2 3.93Å; F23-M75 HydrophobicContact CB-CE 3.66Å; F23-M75 HydrophobicContact CD1-CE 3.03Å; F23-M75 HydrophobicContact CE1-CE 3.8Å; F23-M75 HydrophobicContact CG-CE 3.61Å; F23-H116 HydrophobicContact CE2-CB 4.05Å; F23-H116 HydrophobicContact CZ-CB 3.98Å
24L97.6Very high95.2Very high0 Ų051.7 Ų51.70%025%0.25CC..Iπ-helixtrans-60.6-44177.1-69.8174.8000112V20 V21 F28 L29 F49 I53 M75 I112V20-L24 HydrophobicContact CG1-CD1 4.36Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 2.9Å; V21-L24 PolarHBondContact O-N 2.98Å; L24-F28 HydrophobicContact CD2-CB 3.82Å; L24-F28 HydrophobicContact CD2-CD1 4.29Å; L24-F28 HydrophobicContact CD2-CG 4.02Å; L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 3.4Å; L24-L29 PolarHBondContact O-N 2.83Å; L24-F49 HydrophobicContact CB-CD1 4.22Å; L24-F49 HydrophobicContact CB-CD2 4.19Å; L24-F49 HydrophobicContact CB-CE1 4.38Å; L24-F49 HydrophobicContact CB-CE2 4.34Å; L24-F49 HydrophobicContact CB-CG 4.13Å; L24-F49 HydrophobicContact CB-CZ 4.44Å; L24-F49 HydrophobicContact CD1-CB 4.23Å; L24-F49 HydrophobicContact CD1-CD1 3.8Å; L24-F49 HydrophobicContact CD1-CE1 4.42Å; L24-F49 HydrophobicContact CD1-CG 4.11Å; L24-I53 HydrophobicContact CD1-CD1 3.9Å; L24-I53 HydrophobicContact CD1-CG1 4.04Å; L24-M75 HydrophobicContact CD2-CE 3.69Å; L24-M75 HydrophobicContact CD2-SD 3.81Å; L24-M75 HydrophobicContact CG-CE 3.72Å; L24-M75 HydrophobicContact CG-SD 4.05Å; L24-I112 HydrophobicContact CD1-CD1 4.11Å; L24-I112 HydrophobicContact CD2-CD1 4.02Å; L24-I112 HydrophobicContact CD2-CG2 3.6Å
25L97Very high94.9Very high15 Ų1544.8 Ų44.88%0.07922%0.222CC..Iπ-helixtrans-67.6-35.3179.1-70.5172.5000113.3V21 N22 F23 L29 P42 A45 K46 F49V21-L25 HydrophobicContact CG1-CD1 3.8Å; V21-L25 HydrophobicContact CG1-CG 4.28Å; V21-L25 WeakPolarHBondContact O-CB 2.98Å; V21-L25 VanDerWaalsContact O-CG 3.26Å; V21-L25 WeakPolarHBondContact O-CG 3.39Å; V21-L25 PolarHBondContact O-N 3.18Å; N22-L25 PolarHBondContact O-N 3.24Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 3.04Å; L25-L29 HydrophobicContact CD2-CD2 4.35Å; L25-P42 HydrophobicContact CB-CB 4.4Å; L25-P42 HydrophobicContact CD2-CB 4.18Å; L25-P42 VanDerWaalsContact CD2-O 3.23Å; L25-P42 WeakPolarHBondContact CD2-O 3.44Å; L25-A45 HydrophobicContact CD2-CB 3.97Å; L25-K46 HydrophobicContact CD1-CB 3.97Å; L25-K46 HydrophobicContact CD1-CD 4.31Å; L25-K46 HydrophobicContact CD1-CG 3.97Å; L25-K46 HydrophobicContact CD2-CB 4.19Å; L25-F49 HydrophobicContact CD2-CD2 3.62Å; L25-F49 HydrophobicContact CD2-CE2 3.97Å; L25-F49 HydrophobicContact CG-CD2 4.14Å
26S94.1Very high94.7Very high64 Ų6440.9 Ų40.945%0.44821%0.205SC..Iπ-helixtrans-87.4-29.6-173.157.70000114N22 F23 K30N22-S26 VanDerWaalsContact O-CB 3.28Å; N22-S26 WeakPolarHBondContact O-CB 3.47Å; N22-S26 PolarHBondContact O-N 3.45Å; N22-S26 PolarHBondContact O-OG 2.99Å; F23-S26 PolarHBondContact O-N 2.96Å; F23-S26 PolarHBondContact O-OG 3.14Å; S26-K30 WeakPolarHBondContact O-CD 3.47Å; S26-K30 WeakPolarHBondContact O-CE 3.43Å; S26-K30 PolarHBondContact O-NZ 2.85Å
27D93.7Very high94.4Very high7 Ų741.4 Ų41.44%0.03721%0.209CC..Iπ-helixtrans-120.7-63.3-175.5-168.584.5000111.6F23 L29 K30 E31 H116 R117F23-D27 HydrophobicContact CE1-CB 4.34Å; F23-D27 HydrophobicContact CZ-CB 4.45Å; F23-D27 PolarHBondContact O-N 3.26Å; D27-L29 PolarHBondContact O-N 2.98Å; D27-K30 PolarHBondContact O-N 3.39Å; D27-E31 WeakPolarHBondContact O-CG 3.42Å; D27-E31 PolarHBondContact O-N 2.83Å; D27-H116 IonicContact OD1-CD2 2.63Å; D27-H116 IonicContact OD1-CG 3.8Å; D27-H116 WeakPolarHBondContact OD2-CA 3.41Å; D27-R117 PolarHBondContact OD1-N 2.91Å
28F94.8Very high94.1Very high31 Ų3143 Ų4314%0.13622%0.22CC..Iπ-helixtrans-57.9-47-173.3-178.7-95000113.7L24 K30 E31 E32 F49 I112L24-F28 HydrophobicContact CD2-CB 3.82Å; L24-F28 HydrophobicContact CD2-CD1 4.29Å; L24-F28 HydrophobicContact CD2-CG 4.02Å; L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 3.4Å; F28-K30 PolarHBondContact O-N 3.46Å; F28-E31 PolarHBondContact O-N 3.23Å; F28-E31 VanDerWaalsContact O-N 3.11Å; F28-E32 HydrophobicContact CD1-CB 4.14Å; F28-E32 HydrophobicContact CD2-CB 4.08Å; F28-E32 HydrophobicContact CD2-CG 4.48Å; F28-E32 HydrophobicContact CE1-CB 3.87Å; F28-E32 HydrophobicContact CE1-CG 3.95Å; F28-E32 HydrophobicContact CE2-CB 3.81Å; F28-E32 HydrophobicContact CE2-CG 3.72Å; F28-E32 HydrophobicContact CG-CB 4.27Å; F28-E32 HydrophobicContact CZ-CB 3.74Å; F28-E32 HydrophobicContact CZ-CG 3.44Å; F28-E32 VanDerWaalsContact CZ-CG 3.44Å; F28-E32 WeakPolarHBondContact O-CB 3.3Å; F28-E32 PolarHBondContact O-N 2.88Å; F28-F49 HydrophobicContact CD1-CE1 4.12Å; F28-F49 AromaticContact CD1-CZ 3.99Å; F28-F49 HydrophobicContact CD1-CZ 3.99Å; F28-F49 HydrophobicContact CE1-CE1 4.26Å; F28-F49 HydrophobicContact CE1-CZ 4.4Å; F28-I112 HydrophobicContact CD2-CG2 3.8Å; F28-I112 HydrophobicContact CE1-CD1 4.18Å; F28-I112 HydrophobicContact CE1-CG2 4.38Å; F28-I112 HydrophobicContact CE2-CG2 3.58Å; F28-I112 HydrophobicContact CG-CG2 4.26Å; F28-I112 HydrophobicContact CZ-CD1 4.37Å; F28-I112 HydrophobicContact CZ-CG1 4.21Å; F28-I112 HydrophobicContact CZ-CG2 3.86Å
29L94.8Very high93.6Very high13 Ų1345 Ų457%0.06823%0.226CC..Hα-helixtrans-54.7-29.2178.6-179.665.3000112.9L24 L25 D27 S35 P42 A45 F49L24-L29 PolarHBondContact O-N 2.83Å; L25-L29 HydrophobicContact CD2-CD2 4.35Å; D27-L29 PolarHBondContact O-N 2.98Å; L29-S35 WeakPolarHBondContact O-CB 3.22Å; L29-P42 HydrophobicContact CD2-CG 4.3Å; L29-A45 HydrophobicContact CD1-CB 3.75Å; L29-A45 HydrophobicContact CD2-CB 3.73Å; L29-A45 HydrophobicContact CG-CB 4.4Å; L29-F49 HydrophobicContact CB-CE2 4.27Å; L29-F49 HydrophobicContact CD1-CE2 4.29Å; L29-F49 HydrophobicContact CD1-CZ 4.5Å
30K92.2Very high93.3Very high118 Ų11842.8 Ų42.851%0.51322%0.22SC..Hα-helixtrans-94.6-14.6-175.8-58.7-178.9-169.9152.70113.8S26 D27 F28 M36S26-K30 WeakPolarHBondContact O-CD 3.47Å; S26-K30 WeakPolarHBondContact O-CE 3.43Å; S26-K30 PolarHBondContact O-NZ 2.85Å; D27-K30 PolarHBondContact O-N 3.39Å; F28-K30 PolarHBondContact O-N 3.46Å; K30-M36 WeakPolarHBondContact O-CG 3.28Å; K30-M36 VanDerWaalsContact O-SD 3.38Å
31E90.7Very high93.2Very high76 Ų7645.7 Ų45.736%0.35524%0.237SC..Hα-helixtrans-119.5-22-171-57.6-70.6160.700112D27 F28 R117D27-E31 WeakPolarHBondContact O-CG 3.42Å; D27-E31 PolarHBondContact O-N 2.83Å; F28-E31 PolarHBondContact O-N 3.23Å; F28-E31 VanDerWaalsContact O-N 3.11Å; E31-R117 HydrophobicContact CG-CB 4.47Å; E31-R117 WeakPolarHBondContact OE1-CD 3.38Å; E31-R117 IonicContact OE1-NH1 3.05Å; E31-R117 PolarHBondContact OE1-NH1 2.96Å
32E92.3Very high93.1Very high15 Ų1548.1 Ų48.17%0.0725%0.253CS..SBendtrans-76.3130.1178.4-167.9-8314100111.6F28 L34 S35 M36 T149F28-E32 HydrophobicContact CD1-CB 4.14Å; F28-E32 HydrophobicContact CD2-CB 4.08Å; F28-E32 HydrophobicContact CD2-CG 4.48Å; F28-E32 HydrophobicContact CE1-CB 3.87Å; F28-E32 HydrophobicContact CE1-CG 3.95Å; F28-E32 HydrophobicContact CE2-CB 3.81Å; F28-E32 HydrophobicContact CE2-CG 3.72Å; F28-E32 HydrophobicContact CG-CB 4.27Å; F28-E32 HydrophobicContact CZ-CB 3.74Å; F28-E32 HydrophobicContact CZ-CG 3.44Å; F28-E32 VanDerWaalsContact CZ-CG 3.44Å; F28-E32 WeakPolarHBondContact O-CB 3.3Å; F28-E32 PolarHBondContact O-N 2.88Å; E32-L34 PolarHBondContact O-N 3.39Å; E32-L34 WeakPolarHBondContact OE1-CB 3.49Å; E32-L34 WeakPolarHBondContact OE1-CG 3.37Å; E32-L34 PolarHBondContact OE1-N 3.18Å; E32-L34 PolarHBondContact OE2-N 2.94Å; E32-S35 WeakPolarHBondContact O-CB 3.42Å; E32-S35 PolarHBondContact O-N 3.36Å; E32-S35 VanDerWaalsContact OE2-CB 3.22Å; E32-S35 WeakPolarHBondContact OE2-CB 3.46Å; E32-S35 PolarHBondContact OE2-N 3.35Å; E32-S35 PolarHBondContact OE2-OG 2.82Å; E32-M36 WeakPolarHBondContact O-CG 3.29Å; E32-M36 PolarHBondContact O-N 2.98Å; E32-T149 WeakPolarHBondContact OE1-CB 3.49Å; E32-T149 PolarHBondContact OE1-OG1 3.25Å
33P90.6Very high93Very high0 Ų051.8 Ų51.80%027%0.268CS..Hα-helixtrans-56.5-42.8-170-27.134.3000115.7T37 N150 C184P33-T37 PolarHBondContact O-N 3.12Å; P33-T37 PolarHBondContact O-OG1 3.01Å; P33-N150 HydrophobicContact CG-CB 3.98Å; P33-C184 HydrophobicContact CB-CB 4.41Å
34L92.1Very high93Very high29 Ų2957.2 Ų57.215%0.15229%0.294CS..Hα-helixtrans-72.1-43.6-179.2-56.1-171.1000110.7E32 M36 T37 L38 T149 F182E32-L34 PolarHBondContact O-N 3.39Å; E32-L34 WeakPolarHBondContact OE1-CB 3.49Å; E32-L34 WeakPolarHBondContact OE1-CG 3.37Å; E32-L34 PolarHBondContact OE1-N 3.18Å; E32-L34 PolarHBondContact OE2-N 2.94Å; L34-M36 VanDerWaalsContact C-N 3.34Å; L34-M36 PolarHBondContact O-N 2.86Å; L34-T37 WeakPolarHBondContact O-CA 3.43Å; L34-T37 VanDerWaalsContact O-CB 3.32Å; L34-T37 WeakPolarHBondContact O-CB 3.46Å; L34-T37 PolarHBondContact O-N 2.87Å; L34-L38 PolarHBondContact O-N 3.5Å; L34-L38 VanDerWaalsContact O-N 3.14Å; L34-T149 HydrophobicContact CD1-CG2 3.51Å; L34-T149 HydrophobicContact CG-CG2 4.2Å; L34-F182 HydrophobicContact CB-CD1 4.06Å; L34-F182 HydrophobicContact CB-CE1 3.96Å; L34-F182 HydrophobicContact CD1-CZ 4.48Å; L34-F182 HydrophobicContact CD2-CB 3.88Å; L34-F182 HydrophobicContact CD2-CD1 3.75Å; L34-F182 HydrophobicContact CD2-CD2 4.21Å; L34-F182 HydrophobicContact CD2-CE1 4.32Å; L34-F182 HydrophobicContact CD2-CG 3.69Å; L34-F182 HydrophobicContact CG-CD1 4.38Å
35S90.5Very high92.9Very high17 Ų1757.7 Ų57.712%0.11930%0.297CS..Hα-helixtrans-56.6-45.7177.5-63.50000111.9L29 E32 T37 L38 K39L29-S35 WeakPolarHBondContact O-CB 3.22Å; E32-S35 WeakPolarHBondContact O-CB 3.42Å; E32-S35 PolarHBondContact O-N 3.36Å; E32-S35 VanDerWaalsContact OE2-CB 3.22Å; E32-S35 WeakPolarHBondContact OE2-CB 3.46Å; E32-S35 PolarHBondContact OE2-N 3.35Å; E32-S35 PolarHBondContact OE2-OG 2.82Å; S35-T37 PolarHBondContact O-N 2.63Å; S35-L38 PolarHBondContact O-N 3.27Å; S35-K39 PolarHBondContact O-N 2.78Å
36M90.5Very high93Very high74 Ų7460.7 Ų60.737%0.36531%0.31SS..Hα-helixtrans-59.2-34.3175.1-72.1-166.5-61.200112.8K30 E32 L34 K39K30-M36 WeakPolarHBondContact O-CG 3.28Å; K30-M36 VanDerWaalsContact O-SD 3.38Å; E32-M36 WeakPolarHBondContact O-CG 3.29Å; E32-M36 PolarHBondContact O-N 2.98Å; L34-M36 VanDerWaalsContact C-N 3.34Å; L34-M36 PolarHBondContact O-N 2.86Å; M36-K39 WeakPolarHBondContact O-CG 3.49Å; M36-K39 PolarHBondContact O-N 3.02Å
37T90.7Very high93.1Very high33 Ų3361.5 Ų61.520%0.20231%0.314CS..Hα-helixtrans-72.2-35.8-179.2-50.70000111.5P33 L34 S35 K39 I181P33-T37 PolarHBondContact O-N 3.12Å; P33-T37 PolarHBondContact O-OG1 3.01Å; L34-T37 WeakPolarHBondContact O-CA 3.43Å; L34-T37 VanDerWaalsContact O-CB 3.32Å; L34-T37 WeakPolarHBondContact O-CB 3.46Å; L34-T37 PolarHBondContact O-N 2.87Å; S35-T37 PolarHBondContact O-N 2.63Å; T37-K39 VanDerWaalsContact C-N 3.25Å; T37-K39 PolarHBondContact O-N 3Å; T37-I181 WeakPolarHBondContact CG2-O 3.37Å
38L88.9Confident93.2Very high108 Ų10867.3 Ų67.357%0.56534%0.339SS*.Hα-helixtrans-69.8-21.7178.3-63.8175.7000113L34 S35 A40 F182L34-L38 PolarHBondContact O-N 3.5Å; L34-L38 VanDerWaalsContact O-N 3.14Å; S35-L38 PolarHBondContact O-N 3.27Å; L38-A40 PolarHBondContact O-N 3.28Å; L38-F182 HydrophobicContact CD1-CE1 4.49Å; L38-F182 HydrophobicContact CD2-CE1 3.95Å; L38-F182 HydrophobicContact CG-CE1 4.16Å
39K87.9Confident93.3Very high180 Ų18066 Ų6678%0.78333%0.333SS*.THydrogen-bonded Turntrans51.928.1179.7-60.3179-1781750113.8S35 M36 T37S35-K39 PolarHBondContact O-N 2.78Å; M36-K39 WeakPolarHBondContact O-CG 3.49Å; M36-K39 PolarHBondContact O-N 3.02Å; T37-K39 VanDerWaalsContact C-N 3.25Å; T37-K39 PolarHBondContact O-N 3Å
40A90.8Very high93.5Very high34 Ų3467.6 Ų67.628%0.28134%0.342SS..  trans-66138.6177.800000110.4L38 E44 A45L38-A40 PolarHBondContact O-N 3.28Å; A40-E44 HydrophobicContact CB-CB 4.35Å; A40-A45 HydrophobicContact CB-CB 4.4Å
41T95Very high93.7Very high60 Ų6068.1 Ų68.137%0.36835%0.346SS..  trans-68.7157.116862.20000110.3Q43 E44 A45T41-Q43 PolarHBondContact O-N 2.93Å; T41-E44 WeakPolarHBondContact CB-OE2 3.37Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.21Å; T41-E44 PolarHBondContact N-OE2 2.94Å; T41-E44 PolarHBondContact O-N 3.42Å; T41-E44 VanDerWaalsContact O-N 3.08Å; T41-E44 VanDerWaalsContact OG1-CG 3.24Å; T41-E44 WeakPolarHBondContact OG1-CG 2.97Å; T41-E44 PolarHBondContact OG1-N 2.8Å; T41-E44 PolarHBondContact OG1-OE2 3.43Å; T41-A45 PolarHBondContact O-N 3.25Å
42P95.8Very high93.9Very high52 Ų5265.3 Ų65.334%0.33833%0.333SS..Hα-helixtrans-53.6-35.6172.2-28.736.8000113.3L25 L29 A45 K46L25-P42 HydrophobicContact CB-CB 4.4Å; L25-P42 HydrophobicContact CD2-CB 4.18Å; L25-P42 VanDerWaalsContact CD2-O 3.23Å; L25-P42 WeakPolarHBondContact CD2-O 3.44Å; L29-P42 HydrophobicContact CD2-CG 4.3Å; P42-A45 PolarHBondContact O-N 3.35Å; P42-K46 WeakPolarHBondContact O-CB 3.46Å; P42-K46 PolarHBondContact O-N 3.31Å
43Q96.7Very high94.1Very high147 Ų14764.6 Ų64.669%0.68733%0.33SS*.Hα-helixtrans-65.2-41.4177.7-69.174.913.900112T41 P47T41-Q43 PolarHBondContact O-N 2.93Å; Q43-P47 WeakPolarHBondContact O-CD 3.42Å
44E96.3Very high94.4Very high129 Ų12966 Ų6660%0.60334%0.344SS*.Hα-helixtrans-72.5-33.8177.3-70.6160.7148.600112.4A40 T41 P47A40-E44 HydrophobicContact CB-CB 4.35Å; T41-E44 WeakPolarHBondContact CB-OE2 3.37Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.21Å; T41-E44 PolarHBondContact N-OE2 2.94Å; T41-E44 PolarHBondContact O-N 3.42Å; T41-E44 VanDerWaalsContact O-N 3.08Å; T41-E44 VanDerWaalsContact OG1-CG 3.24Å; T41-E44 WeakPolarHBondContact OG1-CG 2.97Å; T41-E44 PolarHBondContact OG1-N 2.8Å; T41-E44 PolarHBondContact OG1-OE2 3.43Å; E44-P47 WeakPolarHBondContact O-CD 3.45Å
45A96.3Very high94.4Very high9 Ų969.2 Ų69.27%0.07436%0.36CS..Hα-helixtrans-81.1-24.4-179.100000113.6L25 L29 A40 T41 P42 F48 F49L25-A45 HydrophobicContact CD2-CB 3.97Å; L29-A45 HydrophobicContact CD1-CB 3.75Å; L29-A45 HydrophobicContact CD2-CB 3.73Å; L29-A45 HydrophobicContact CG-CB 4.4Å; A40-A45 HydrophobicContact CB-CB 4.4Å; T41-A45 PolarHBondContact O-N 3.25Å; P42-A45 PolarHBondContact O-N 3.35Å; A45-F48 WeakPolarHBondContact O-CB 3.22Å; A45-F48 PolarHBondContact O-N 2.62Å; A45-F49 HydrophobicContact CB-CD2 4.16Å; A45-F49 HydrophobicContact CB-CE2 3.85Å; A45-F49 WeakPolarHBondContact O-CD2 3.27Å; A45-F49 PolarHBondContact O-N 2.91Å
46K97.5Very high94.7Very high79 Ų7968.5 Ų68.534%0.34336%0.355SS..Hα-helixtrans-56.1-45.3-175.2-175.1178.8-164.9-47.70113.9V21 L25 P42 F48 F49 D50V21-K46 HydrophobicContact CG1-CG 4.2Å; L25-K46 HydrophobicContact CD1-CB 3.97Å; L25-K46 HydrophobicContact CD1-CD 4.31Å; L25-K46 HydrophobicContact CD1-CG 3.97Å; L25-K46 HydrophobicContact CD2-CB 4.19Å; P42-K46 WeakPolarHBondContact O-CB 3.46Å; P42-K46 PolarHBondContact O-N 3.31Å; K46-F48 VanDerWaalsContact C-N 3.28Å; K46-F48 PolarHBondContact O-N 2.99Å; K46-F49 PolarHBondContact O-N 3.05Å; K46-D50 WeakPolarHBondContact CG-OD2 3.23Å; K46-D50 IonicContact NZ-OD1 2.81Å; K46-D50 PolarHBondContact NZ-OD1 2.93Å; K46-D50 IonicContact NZ-OD2 3.8Å; K46-D50 PolarHBondContact NZ-OD2 3.34Å; K46-D50 WeakPolarHBondContact O-CB 3.4Å; K46-D50 PolarHBondContact O-N 3.13Å
47P97.8Very high94.9Very high81 Ų8166 Ų6653%0.52634%0.343SS..Hα-helixtrans-58.3-39.6178.8-25.435.3000113Q43 E44 Q51Q43-P47 WeakPolarHBondContact O-CD 3.42Å; E44-P47 WeakPolarHBondContact O-CD 3.45Å; P47-Q51 WeakPolarHBondContact O-CB 3.28Å; P47-Q51 PolarHBondContact O-N 3.18Å
48F95.8Very high95.1Very high128 Ų12869.1 Ų69.156%0.56136%0.363SS*.Hα-helixtrans-63.1-50.4176.8170.3-99.7000111.3A45 K46 Q51 L52A45-F48 WeakPolarHBondContact O-CB 3.22Å; A45-F48 PolarHBondContact O-N 2.62Å; K46-F48 VanDerWaalsContact C-N 3.28Å; K46-F48 PolarHBondContact O-N 2.99Å; F48-Q51 PolarHBondContact O-N 3.01Å; F48-L52 HydrophobicContact CE1-CD2 4.28Å; F48-L52 HydrophobicContact CZ-CD2 4.34Å; F48-L52 WeakPolarHBondContact O-CB 3.41Å; F48-L52 PolarHBondContact O-N 3.46Å
49F97Very high95.4Very high5 Ų565 Ų652%0.02234%0.344CS..Hα-helixtrans-66.5-39.7179.2-66.4-51.2000112.4V21 L24 L25 F28 L29 A45 K46 Q51 L52 I53 I112V21-F49 HydrophobicContact CG1-CB 4.32Å; L24-F49 HydrophobicContact CB-CD1 4.22Å; L24-F49 HydrophobicContact CB-CD2 4.19Å; L24-F49 HydrophobicContact CB-CE1 4.38Å; L24-F49 HydrophobicContact CB-CE2 4.34Å; L24-F49 HydrophobicContact CB-CG 4.13Å; L24-F49 HydrophobicContact CB-CZ 4.44Å; L24-F49 HydrophobicContact CD1-CB 4.23Å; L24-F49 HydrophobicContact CD1-CD1 3.8Å; L24-F49 HydrophobicContact CD1-CE1 4.42Å; L24-F49 HydrophobicContact CD1-CG 4.11Å; L25-F49 HydrophobicContact CD2-CD2 3.62Å; L25-F49 HydrophobicContact CD2-CE2 3.97Å; L25-F49 HydrophobicContact CG-CD2 4.14Å; F28-F49 HydrophobicContact CD1-CE1 4.12Å; F28-F49 AromaticContact CD1-CZ 3.99Å; F28-F49 HydrophobicContact CD1-CZ 3.99Å; F28-F49 HydrophobicContact CE1-CE1 4.26Å; F28-F49 HydrophobicContact CE1-CZ 4.4Å; L29-F49 HydrophobicContact CB-CE2 4.27Å; L29-F49 HydrophobicContact CD1-CE2 4.29Å; L29-F49 HydrophobicContact CD1-CZ 4.5Å; A45-F49 HydrophobicContact CB-CD2 4.16Å; A45-F49 HydrophobicContact CB-CE2 3.85Å; A45-F49 WeakPolarHBondContact O-CD2 3.27Å; A45-F49 PolarHBondContact O-N 2.91Å; K46-F49 PolarHBondContact O-N 3.05Å; F49-Q51 VanDerWaalsContact C-N 3.28Å; F49-Q51 PolarHBondContact O-N 3.44Å; F49-L52 PolarHBondContact O-N 3.04Å; F49-I53 WeakPolarHBondContact O-CB 3.48Å; F49-I53 VanDerWaalsContact O-CG1 3.24Å; F49-I53 WeakPolarHBondContact O-CG1 3.41Å; F49-I53 PolarHBondContact O-N 3.44Å; F49-I112 HydrophobicContact CD1-CD1 4.18Å; F49-I112 HydrophobicContact CE1-CD1 4.01Å
50D97.5Very high95.8Very high46 Ų4659.8 Ų59.825%0.24633%0.325CS..Hα-helixtrans-58.6-41.4175.6-83.1-26.4000112K17 K46 G54K17-D50 PolarHBondContact NZ-O 3.26Å; K46-D50 WeakPolarHBondContact CG-OD2 3.23Å; K46-D50 IonicContact NZ-OD1 2.81Å; K46-D50 PolarHBondContact NZ-OD1 2.93Å; K46-D50 IonicContact NZ-OD2 3.8Å; K46-D50 PolarHBondContact NZ-OD2 3.34Å; K46-D50 WeakPolarHBondContact O-CB 3.4Å; K46-D50 PolarHBondContact O-N 3.13Å; D50-G54 PolarHBondContact O-N 3Å
51Q96.3Very high96.1Very high129 Ų12958.2 Ų58.260%0.60331%0.311SS*.Hα-helixtrans-68.5-50.8177.1-178.1179.7-26.500110.7P47 F48 F49 I53 G54 M55P47-Q51 WeakPolarHBondContact O-CB 3.28Å; P47-Q51 PolarHBondContact O-N 3.18Å; F48-Q51 PolarHBondContact O-N 3.01Å; F49-Q51 VanDerWaalsContact C-N 3.28Å; F49-Q51 PolarHBondContact O-N 3.44Å; Q51-I53 PolarHBondContact O-N 2.96Å; Q51-G54 WeakPolarHBondContact O-CA 3.39Å; Q51-G54 PolarHBondContact O-N 3.41Å; Q51-G54 VanDerWaalsContact O-N 3.13Å; Q51-M55 HydrophobicContact CG-CE 4.18Å; Q51-M55 HydrophobicContact CG-SD 4.37Å; Q51-M55 WeakPolarHBondContact O-CG 3.45Å; Q51-M55 PolarHBondContact O-N 3.23Å
52L95.5Very high96.3Very high16 Ų1655.4 Ų55.48%0.08429%0.294CS..Hα-helixtrans-56.4-51.1179.6178.362.9000111.6F48 F49 G54 M55 C56 E111 I112F48-L52 HydrophobicContact CE1-CD2 4.28Å; F48-L52 HydrophobicContact CZ-CD2 4.34Å; F48-L52 WeakPolarHBondContact O-CB 3.41Å; F48-L52 PolarHBondContact O-N 3.46Å; F49-L52 PolarHBondContact O-N 3.04Å; L52-G54 VanDerWaalsContact C-N 3.3Å; L52-G54 PolarHBondContact O-N 2.89Å; L52-M55 HydrophobicContact CD1-CE 4.4Å; L52-M55 PolarHBondContact O-N 2.75Å; L52-M55 VanDerWaalsContact O-N 3.14Å; L52-C56 PolarHBondContact O-N 3.3Å; L52-C56 PolarHBondContact O-SG 2.82Å; L52-E111 HydrophobicContact CD1-CG 4.41Å; L52-I112 HydrophobicContact CD2-CD1 3.36Å; L52-I112 HydrophobicContact CD2-CG1 3.96Å
53I97Very high96.4Very high0 Ų054.4 Ų54.40%028%0.284CS..Hα-helixtrans-63.7-39.3177.7-62.3-51.1000110.7K17 V20 V21 L24 F49 Q51 M55 C56 L57 I77K17-I53 HydrophobicContact CG-CG2 3.92Å; V20-I53 HydrophobicContact CG1-CD1 3.61Å; V20-I53 HydrophobicContact CG1-CG1 3.88Å; V20-I53 HydrophobicContact CG1-CG2 4.3Å; V21-I53 HydrophobicContact CG2-CB 4.25Å; V21-I53 HydrophobicContact CG2-CG1 3.95Å; L24-I53 HydrophobicContact CD1-CD1 3.9Å; L24-I53 HydrophobicContact CD1-CG1 4.04Å; F49-I53 WeakPolarHBondContact O-CB 3.48Å; F49-I53 VanDerWaalsContact O-CG1 3.24Å; F49-I53 WeakPolarHBondContact O-CG1 3.41Å; F49-I53 PolarHBondContact O-N 3.44Å; Q51-I53 PolarHBondContact O-N 2.96Å; I53-M55 VanDerWaalsContact C-N 3.26Å; I53-M55 PolarHBondContact O-N 2.84Å; I53-C56 PolarHBondContact O-N 2.89Å; I53-L57 HydrophobicContact CG2-CD1 3.55Å; I53-L57 HydrophobicContact CG2-CD2 4.38Å; I53-L57 HydrophobicContact CG2-CG 3.69Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 VanDerWaalsContact O-CG 3.25Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 2.88Å; I53-I77 HydrophobicContact CD1-CB 4.33Å; I53-I77 HydrophobicContact CD1-CD1 3.91Å; I53-I77 HydrophobicContact CD1-CG1 3.69Å; I53-I77 HydrophobicContact CD1-CG2 3.82Å
54G95.7Very high96.5Very high30 Ų3047.4 Ų47.431%0.30925%0.251SS..Hα-helixtrans-58.2-35.6174.200000113.8D50 Q51 L52 P58D50-G54 PolarHBondContact O-N 3Å; Q51-G54 WeakPolarHBondContact O-CA 3.39Å; Q51-G54 PolarHBondContact O-N 3.41Å; Q51-G54 VanDerWaalsContact O-N 3.13Å; L52-G54 VanDerWaalsContact C-N 3.3Å; L52-G54 PolarHBondContact O-N 2.89Å; G54-P58 WeakPolarHBondContact O-CD 3.38Å
55M93.5Very high96.6Very high96 Ų9641.2 Ų41.247%0.47322%0.223SC..Hα-helixtrans-78.4-31.3176.9-66.6-175-57.800113.1Q51 L52 I53Q51-M55 HydrophobicContact CG-CE 4.18Å; Q51-M55 HydrophobicContact CG-SD 4.37Å; Q51-M55 WeakPolarHBondContact O-CG 3.45Å; Q51-M55 PolarHBondContact O-N 3.23Å; L52-M55 HydrophobicContact CD1-CE 4.4Å; L52-M55 PolarHBondContact O-N 2.75Å; L52-M55 VanDerWaalsContact O-N 3.14Å; I53-M55 VanDerWaalsContact C-N 3.26Å; I53-M55 PolarHBondContact O-N 2.84Å
56C95.9Very high96.6Very high2 Ų241.6 Ų41.61%0.01422%0.222CC..Hα-helixtrans-88-34.5-175.4-61.20000113.7L52 I53 P58 S59 I77L52-C56 PolarHBondContact O-N 3.3Å; L52-C56 PolarHBondContact O-SG 2.82Å; I53-C56 PolarHBondContact O-N 2.89Å; C56-P58 VanDerWaalsContact C-CD 3.42Å; C56-S59 WeakPolarHBondContact O-CB 3.04Å; C56-S59 PolarHBondContact O-N 3.32Å; C56-S59 VanDerWaalsContact O-N 3.09Å; C56-I77 HydrophobicContact CB-CG2 3.51Å
57L95.3Very high96.4Very high22 Ų2238.3 Ų38.312%0.11521%0.211CC..G310 helixtrans-57-38.5-177.3-77.7177000114.8V12 K17 I53 S59 D60V12-L57 HydrophobicContact CB-CD2 4.28Å; V12-L57 HydrophobicContact CG1-CD2 3.49Å; V12-L57 VanDerWaalsContact CG1-CD2 3.49Å; K17-L57 HydrophobicContact CB-CD1 3.79Å; K17-L57 HydrophobicContact CD-CD1 4.11Å; K17-L57 HydrophobicContact CG-CD1 3.94Å; I53-L57 HydrophobicContact CG2-CD1 3.55Å; I53-L57 HydrophobicContact CG2-CD2 4.38Å; I53-L57 HydrophobicContact CG2-CG 3.69Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 VanDerWaalsContact O-CG 3.25Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 2.88Å; L57-S59 PolarHBondContact O-N 2.83Å; L57-S59 VanDerWaalsContact O-N 3.1Å; L57-D60 PolarHBondContact O-N 3.47Å
58P94.4Very high96Very high98 Ų9842.6 Ų42.664%0.63622%0.223SC*.G310 helixtrans-57-24.8177-27.436.6000114G54 C56 D60G54-P58 WeakPolarHBondContact O-CD 3.38Å; C56-P58 VanDerWaalsContact C-CD 3.42Å; P58-D60 PolarHBondContact O-N 3.36Å
59S94.4Very high95.7Very high23 Ų2340.2 Ų40.216%0.16124%0.235CC..G310 helixtrans-69.6-13.1176.7-57.90000113.5C56 L57 A61 I80 R139C56-S59 WeakPolarHBondContact O-CB 3.04Å; C56-S59 PolarHBondContact O-N 3.32Å; C56-S59 VanDerWaalsContact O-N 3.09Å; L57-S59 PolarHBondContact O-N 2.83Å; L57-S59 VanDerWaalsContact O-N 3.1Å; S59-A61 PolarHBondContact O-N 2.93Å; S59-A61 VanDerWaalsContact O-N 3.09Å; S59-I80 PolarHBondContact OG-N 2.96Å; S59-R139 PolarHBondContact O-NH1 3.47Å
60D96.6Very high95.4Very high70 Ų7044.3 Ų44.337%0.37426%0.257SS..  trans47.240.7-176.9178.744.3000112.9K11 L57 P58 R139K11-D60 VanDerWaalsContact NZ-CG 3.33Å; K11-D60 PolarHBondContact NZ-O 2.8Å; K11-D60 IonicContact NZ-OD1 3.35Å; K11-D60 PolarHBondContact NZ-OD1 3Å; K11-D60 IonicContact NZ-OD2 2.78Å; K11-D60 PolarHBondContact NZ-OD2 3.44Å; L57-D60 PolarHBondContact O-N 3.47Å; P58-D60 PolarHBondContact O-N 3.36Å; D60-R139 PolarHBondContact O-NH1 2.93Å; D60-R139 PolarHBondContact O-NH2 2.87Å; D60-R139 IonicContact OD2-NH2 2.87Å; D60-R139 PolarHBondContact OD2-NH2 3.43Å
61A97.7Very high95.3Very high0 Ų046.9 Ų46.90%027%0.268CS..  trans-124.2-2.2-170.600000114.2S59 N78 I80 M108 L135S59-A61 PolarHBondContact O-N 2.93Å; S59-A61 VanDerWaalsContact O-N 3.09Å; A61-N78 HydrophobicContact CB-CB 4.09Å; A61-N78 PolarHBondContact O-ND2 3.13Å; A61-I80 HydrophobicContact CB-CD1 4.06Å; A61-I80 HydrophobicContact CB-CG1 4.09Å; A61-M108 HydrophobicContact CB-CE 3.92Å; A61-L135 HydrophobicContact CB-CD2 3.96Å
62S98.6Very high95.3Very high2 Ų241.4 Ų41.41%0.01424%0.242CC..  trans-89.4149.4-175.9-64.40000111.4V12 L76 I77 N78V12-S62 PolarHBondContact N-O 2.84Å; S62-L76 WeakPolarHBondContact CA-O 3.45Å; S62-I77 WeakPolarHBondContact OG-CA 3.47Å; S62-N78 PolarHBondContact OG-N 2.82Å; S62-N78 PolarHBondContact OG-O 2.9Å
63Y98.8Very high95.4Very high30 Ų3041 Ų4112%0.11824%0.24CC..EExtended strand (participates in β ladder)trans-126.8147.3179.6-71.3-78.4000111.8L9 A10 K11 M75 L76 A131 L135L9-Y63 HydrophobicContact CD1-CD1 4.23Å; L9-Y63 HydrophobicContact CD1-CG 4.4Å; L9-Y63 HydrophobicContact CD2-CD1 4.41Å; L9-Y63 HydrophobicContact CG-CD1 4.18Å; A10-Y63 WeakPolarHBondContact O-CA 3.49Å; K11-Y63 HydrophobicContact CG-CD1 4.22Å; K11-Y63 HydrophobicContact CG-CE1 3.77Å; Y63-M75 CarbonylContact O-C 3.51Å; Y63-M75 WeakPolarHBondContact O-CA 3.31Å; Y63-L76 PolarHBondContact N-O 2.77Å; Y63-L76 PolarHBondContact O-N 3.35Å; Y63-A131 HydrophobicContact CD2-CB 4.29Å; Y63-A131 HydrophobicContact CE2-CB 4.12Å; Y63-L135 HydrophobicContact CE2-CB 4.27Å; Y63-L135 HydrophobicContact CE2-CD2 3.91Å
64V98.3Very high95.4Very high0 Ų041 Ų410%024%0.24CC..EExtended strand (participates in β ladder)trans-122.8155.4167.1-74.40000110.3L9 A10 V12 V20 R66 I72 A74 M75L9-V64 WeakPolarHBondContact CA-O 3.37Å; A10-V64 HydrophobicContact CB-CG2 4.19Å; A10-V64 PolarHBondContact N-O 2.95Å; A10-V64 PolarHBondContact O-N 2.96Å; V12-V64 HydrophobicContact CG2-CB 4.3Å; V12-V64 HydrophobicContact CG2-CG1 3.55Å; V12-V64 HydrophobicContact CG2-CG2 4.21Å; V20-V64 HydrophobicContact CG2-CG1 4.3Å; V64-R66 HydrophobicContact CG2-CG 4.27Å; V64-I72 HydrophobicContact CB-CG1 4.4Å; V64-I72 HydrophobicContact CB-CG2 4.37Å; V64-I72 HydrophobicContact CG1-CD1 3.88Å; V64-I72 HydrophobicContact CG1-CG1 4.15Å; V64-I72 HydrophobicContact CG1-CG2 4.01Å; V64-A74 CarbonylContact C-O 3.59Å; V64-A74 WeakPolarHBondContact CA-O 3.35Å; V64-M75 HydrophobicContact CG1-CB 3.78Å
65V98.1Very high95.5Very high0 Ų039.5 Ų39.50%023%0.226CC..EExtended strand (participates in β ladder)trans-106.7124160.4-178.80000107.5F7 K8 L9 V73 A74 L124 L128F7-V65 HydrophobicContact CB-CG1 3.63Å; F7-V65 HydrophobicContact CD1-CG1 4.15Å; F7-V65 HydrophobicContact CG-CG1 4.19Å; K8-V65 CarbonylContact O-C 3.57Å; K8-V65 VanDerWaalsContact O-CA 3.27Å; K8-V65 WeakPolarHBondContact O-CA 2.87Å; L9-V65 HydrophobicContact CD1-CG2 4.13Å; V65-V73 HydrophobicContact CB-CG2 4.05Å; V65-V73 HydrophobicContact CG1-CG2 3.74Å; V65-V73 WeakPolarHBondContact O-CG2 3.47Å; V65-V73 PolarHBondContact O-N 3.09Å; V65-A74 HydrophobicContact CB-CB 4.09Å; V65-A74 HydrophobicContact CG2-CB 4.26Å; V65-A74 PolarHBondContact N-O 2.72Å; V65-A74 PolarHBondContact O-N 2.81Å; V65-L124 HydrophobicContact CG1-CD2 4.21Å; V65-L128 HydrophobicContact CG2-CD1 4.27Å; V65-L128 HydrophobicContact CG2-CD2 4.05Å; V65-L128 HydrophobicContact CG2-CG 4.02Å
66R96.6Very high95.8Very high17 Ų1735 Ų356%0.06420%0.203CC..EExtended strand (participates in β ladder)trans-100.4139.7173.7-63.7-171.6174.6-92.35.9110.4F7 K8 D16 D19 V64 D70 Q71F7-R66 WeakPolarHBondContact CA-O 3.39Å; K8-R66 PolarHBondContact N-O 3.48Å; K8-R66 PolarHBondContact O-N 3.34Å; D16-R66 IonicContact OD1-CZ 3.71Å; D16-R66 IonicContact OD1-NH2 3.9Å; D16-R66 PolarHBondContact OD1-NH2 2.65Å; D19-R66 IonicContact OD2-NH1 2.64Å; D19-R66 IonicContact OD2-NH2 3.85Å; V64-R66 HydrophobicContact CG2-CG 4.27Å; R66-D70 VanDerWaalsContact CD-CG 3.44Å; R66-D70 WeakPolarHBondContact CD-O 3.27Å; R66-D70 WeakPolarHBondContact CD-OD1 3.39Å; R66-D70 IonicContact CZ-OD2 3.42Å; R66-D70 IonicContact NE-OD2 3.66Å; R66-D70 PolarHBondContact NH1-O 3.1Å; R66-D70 IonicContact NH1-OD2 3.65Å; R66-Q71 CarbonylContact C-O 3.54Å; R66-Q71 VanDerWaalsContact CA-O 3.32Å; R66-Q71 WeakPolarHBondContact CA-O 3.46Å
67G93.5Very high95.9Very high10 Ų1034.9 Ų34.910%0.10320%0.203CC..  trans-102.6-153.5177.600000112.6D70 Q71G67-D70 PolarHBondContact O-N 3Å; G67-Q71 VanDerWaalsContact C-NE2 3.29Å; G67-Q71 PolarHBondContact N-O 2.8Å
68E89.2Confident96Very high170 Ų17033.9 Ų33.979%0.79420%0.197SC*.G310 helixtrans-58.6146.2175.1-170.6168.8-169.400111.7D70 Q71E68-D70 PolarHBondContact O-N 3.29Å; E68-Q71 VanDerWaalsContact N-NE2 3.19Å; E68-Q71 PolarHBondContact O-N 3Å; E68-Q71 PolarHBondContact O-NE2 3.05Å; E68-Q71 PolarHBondContact O-OE1 3.18Å
69G90.5Very high96.1Very high78 Ų7830.9 Ų30.980%0.80417%0.174SC*.G310 helixtrans60.417.1-177.200000115Q71G69-Q71 PolarHBondContact O-N 3.09Å
70D91.1Very high96Very high92 Ų9230.7 Ų30.749%0.49217%0.171SC..G310 helixtrans64.112.4178.3-151.447.5000115.7R66 G67 E68R66-D70 VanDerWaalsContact CD-CG 3.44Å; R66-D70 WeakPolarHBondContact CD-O 3.27Å; R66-D70 WeakPolarHBondContact CD-OD1 3.39Å; R66-D70 IonicContact CZ-OD2 3.42Å; R66-D70 IonicContact NE-OD2 3.66Å; R66-D70 PolarHBondContact NH1-O 3.1Å; R66-D70 IonicContact NH1-OD2 3.65Å; G67-D70 PolarHBondContact O-N 3Å; E68-D70 PolarHBondContact O-N 3.29Å
71Q93.5Very high95.7Very high99 Ų9927.4 Ų27.446%0.46315%0.154SC..  trans-70.2142.717983.4-79.7-72.300112.6R66 G67 E68 G69 V73R66-Q71 CarbonylContact C-O 3.54Å; R66-Q71 VanDerWaalsContact CA-O 3.32Å; R66-Q71 WeakPolarHBondContact CA-O 3.46Å; G67-Q71 VanDerWaalsContact C-NE2 3.29Å; G67-Q71 PolarHBondContact N-O 2.8Å; E68-Q71 VanDerWaalsContact N-NE2 3.19Å; E68-Q71 PolarHBondContact O-N 3Å; E68-Q71 PolarHBondContact O-NE2 3.05Å; E68-Q71 PolarHBondContact O-OE1 3.18Å; G69-Q71 PolarHBondContact O-N 3.09Å; Q71-V73 HydrophobicContact CG-CG1 4.17Å; Q71-V73 PolarHBondContact O-N 3.43Å
72I96.8Very high95.2Very high14 Ų1429.8 Ų29.87%0.07217%0.168CC..EExtended strand (participates in β ladder)trans-62.4128.8171-61.6176.6000108.8D19 V20 F23 V64D19-I72 HydrophobicContact CB-CD1 3.74Å; V20-I72 HydrophobicContact CG2-CD1 3.82Å; F23-I72 HydrophobicContact CB-CG2 4.36Å; F23-I72 HydrophobicContact CD2-CB 4Å; F23-I72 HydrophobicContact CD2-CG2 3.7Å; F23-I72 VanDerWaalsContact CD2-O 3.26Å; F23-I72 WeakPolarHBondContact CD2-O 3.47Å; F23-I72 HydrophobicContact CE2-CG2 4.05Å; F23-I72 WeakPolarHBondContact CE2-O 3.29Å; F23-I72 HydrophobicContact CG-CB 4.45Å; F23-I72 HydrophobicContact CG-CG2 3.93Å; V64-I72 HydrophobicContact CB-CG1 4.4Å; V64-I72 HydrophobicContact CB-CG2 4.37Å; V64-I72 HydrophobicContact CG1-CD1 3.88Å; V64-I72 HydrophobicContact CG1-CG1 4.15Å; V64-I72 HydrophobicContact CG1-CG2 4.01Å
73V96.9Very high94.4Very high7 Ų732 Ų324%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-121.2-15.3177.4-66.50000113.2F7 V65 Q71 H116 L119 L124F7-V73 HydrophobicContact CD1-CG2 3.83Å; F7-V73 HydrophobicContact CE1-CG2 3.99Å; V65-V73 HydrophobicContact CB-CG2 4.05Å; V65-V73 HydrophobicContact CG1-CG2 3.74Å; V65-V73 WeakPolarHBondContact O-CG2 3.47Å; V65-V73 PolarHBondContact O-N 3.09Å; Q71-V73 HydrophobicContact CG-CG1 4.17Å; Q71-V73 PolarHBondContact O-N 3.43Å; V73-H116 WeakPolarHBondContact O-CB 3.33Å; V73-H116 PolarHBondContact O-N 2.92Å; V73-L119 HydrophobicContact CB-CD1 3.55Å; V73-L119 HydrophobicContact CG1-CD1 3.57Å; V73-L119 HydrophobicContact CG2-CD1 4.29Å; V73-L124 HydrophobicContact CG2-CD1 4.31Å
74A97.8Very high93.5Very high0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-158155.6170.600000109.1V64 V65 S114 V115 L124 L128V64-A74 CarbonylContact C-O 3.59Å; V64-A74 WeakPolarHBondContact CA-O 3.35Å; V65-A74 HydrophobicContact CB-CB 4.09Å; V65-A74 HydrophobicContact CG2-CB 4.26Å; V65-A74 PolarHBondContact N-O 2.72Å; V65-A74 PolarHBondContact O-N 2.81Å; A74-S114 CarbonylContact C-O 3.48Å; A74-S114 WeakPolarHBondContact CA-O 3.34Å; A74-S114 WeakPolarHBondContact CB-O 3.29Å; A74-V115 HydrophobicContact CB-CB 4.3Å; A74-V115 HydrophobicContact CB-CG1 4.36Å; A74-V115 HydrophobicContact CB-CG2 3.91Å; A74-L124 HydrophobicContact CB-CB 4.09Å; A74-L124 HydrophobicContact CB-CD1 4.32Å; A74-L128 HydrophobicContact CB-CD1 3.66Å
75M98.2Very high92.6Very high0 Ų042.8 Ų42.80%024%0.237CC..EExtended strand (participates in β ladder)trans-147.8157.6174.876.6173.592.900112.2V20 F23 L24 Y63 V64 I77 S114V20-M75 HydrophobicContact CG1-CE 4.25Å; V20-M75 HydrophobicContact CG1-SD 3.78Å; F23-M75 HydrophobicContact CB-CE 3.66Å; F23-M75 HydrophobicContact CD1-CE 3.03Å; F23-M75 HydrophobicContact CE1-CE 3.8Å; F23-M75 HydrophobicContact CG-CE 3.61Å; L24-M75 HydrophobicContact CD2-CE 3.69Å; L24-M75 HydrophobicContact CD2-SD 3.81Å; L24-M75 HydrophobicContact CG-CE 3.72Å; L24-M75 HydrophobicContact CG-SD 4.05Å; Y63-M75 CarbonylContact O-C 3.51Å; Y63-M75 WeakPolarHBondContact O-CA 3.31Å; V64-M75 HydrophobicContact CG1-CB 3.78Å; M75-I77 HydrophobicContact CG-CG1 4.38Å; M75-I77 HydrophobicContact SD-CD1 3.78Å; M75-I77 HydrophobicContact SD-CG1 3.7Å; M75-S114 PolarHBondContact N-O 2.94Å; M75-S114 PolarHBondContact O-N 3.22Å
76L98.7Very high91.7Very high0 Ų048.4 Ų48.40%027%0.267CS..EExtended strand (participates in β ladder)trans-135.2109.6164.4178.953.2000108.8S62 Y63 N78 M110 I112 L113 L128 V129 S132S62-L76 WeakPolarHBondContact CA-O 3.45Å; Y63-L76 PolarHBondContact N-O 2.77Å; Y63-L76 PolarHBondContact O-N 3.35Å; L76-N78 WeakPolarHBondContact CG-OD1 3.41Å; L76-N78 PolarHBondContact O-ND2 3.13Å; L76-M110 HydrophobicContact CD1-CB 4.09Å; L76-M110 HydrophobicContact CD1-CG 4.46Å; L76-M110 HydrophobicContact CD2-CG 4.49Å; L76-M110 HydrophobicContact CD2-SD 4.26Å; L76-I112 CarbonylContact C-O 3.53Å; L76-I112 VanDerWaalsContact CA-O 3.29Å; L76-I112 WeakPolarHBondContact CA-O 3.42Å; L76-I112 WeakPolarHBondContact CD1-O 3.38Å; L76-L113 HydrophobicContact CB-CD1 4.17Å; L76-L113 HydrophobicContact CD1-CB 3.93Å; L76-L113 HydrophobicContact CD1-CD1 4.16Å; L76-L128 HydrophobicContact CB-CB 3.81Å; L76-L128 HydrophobicContact CB-CD1 4.4Å; L76-L128 HydrophobicContact CB-CD2 4.19Å; L76-L128 HydrophobicContact CB-CG 4.37Å; L76-L128 HydrophobicContact CD2-CB 4.22Å; L76-V129 HydrophobicContact CD2-CB 4.38Å; L76-V129 HydrophobicContact CD2-CG2 3.92Å; L76-S132 VanDerWaalsContact CD2-OG 3.31Å; L76-S132 WeakPolarHBondContact CD2-OG 3.33Å
77I98.5Very high90.6Very high1 Ų149 Ų491%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-87.6126.1176.2-55.2-56.5000108.6V20 I53 C56 S62 M75 E111 I112V20-I77 HydrophobicContact CG1-CD1 3.82Å; V20-I77 HydrophobicContact CG1-CG1 4.48Å; I53-I77 HydrophobicContact CD1-CB 4.33Å; I53-I77 HydrophobicContact CD1-CD1 3.91Å; I53-I77 HydrophobicContact CD1-CG1 3.69Å; I53-I77 HydrophobicContact CD1-CG2 3.82Å; C56-I77 HydrophobicContact CB-CG2 3.51Å; S62-I77 WeakPolarHBondContact OG-CA 3.47Å; M75-I77 HydrophobicContact CG-CG1 4.38Å; M75-I77 HydrophobicContact SD-CD1 3.78Å; M75-I77 HydrophobicContact SD-CG1 3.7Å; I77-E111 PolarHBondContact O-N 3.44Å; I77-I112 HydrophobicContact CB-CB 4.39Å; I77-I112 HydrophobicContact CG1-CB 4.48Å; I77-I112 PolarHBondContact N-O 3.03Å; I77-I112 PolarHBondContact O-N 3.17Å
78N98Very high89.6Confident0 Ų051.8 Ų51.80%029%0.293CS..EExtended strand (participates in β ladder)trans-125.3144.7-178.8-52.6-61.4000110.7A61 S62 L76 M108 E109 M110 S132A61-N78 HydrophobicContact CB-CB 4.09Å; A61-N78 PolarHBondContact O-ND2 3.13Å; S62-N78 PolarHBondContact OG-N 2.82Å; S62-N78 PolarHBondContact OG-O 2.9Å; L76-N78 WeakPolarHBondContact CG-OD1 3.41Å; L76-N78 PolarHBondContact O-ND2 3.13Å; N78-M108 HydrophobicContact CB-CE 4.46Å; N78-M108 HydrophobicContact CB-CG 4.01Å; N78-M108 HydrophobicContact CB-SD 3.94Å; N78-E109 CarbonylContact C-O 3.57Å; N78-E109 WeakPolarHBondContact CA-O 3.32Å; N78-M110 WeakPolarHBondContact OD1-CG 3.37Å; N78-S132 PolarHBondContact ND2-OG 3.29Å
79K95.4Very high89Confident35 Ų3544.7 Ų44.715%0.15226%0.259CS..EExtended strand (participates in β ladder)trans-112.8141.1165.9-175.9-179172.3-158.40108.6D90 K91 M108 E109 E111K79-D90 PolarHBondContact NZ-O 2.85Å; K79-K91 PolarHBondContact NZ-O 2.87Å; K79-M108 CarbonylContact O-C 3.6Å; K79-M108 WeakPolarHBondContact O-CA 3.21Å; K79-E109 HydrophobicContact CB-CB 4.39Å; K79-E109 PolarHBondContact N-O 3.42Å; K79-E109 PolarHBondContact O-N 3.26Å; K79-E111 HydrophobicContact CB-CG 4.47Å
80I93Very high88Confident20 Ų2044.1 Ų44.110%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-98.4120.2165.8-65.3178.4000106.8S59 A61 D106 Y107 M108S59-I80 PolarHBondContact OG-N 2.96Å; A61-I80 HydrophobicContact CB-CD1 4.06Å; A61-I80 HydrophobicContact CB-CG1 4.09Å; I80-D106 HydrophobicContact CG2-CB 4.16Å; I80-Y107 WeakPolarHBondContact CA-O 3.18Å; I80-M108 HydrophobicContact CD1-CE 4.42Å; I80-M108 HydrophobicContact CG1-CE 4.25Å
81A90.1Very high86.4Confident0 Ų048.7 Ų48.70%025%0.254CS..EExtended strand (participates in β ladder)trans-88.8116171.900000108.5Y89 D106 Y107A81-Y89 HydrophobicContact CB-CD1 4.05Å; A81-D106 CarbonylContact O-C 3.55Å; A81-D106 WeakPolarHBondContact O-CA 3.15Å; A81-D106 WeakPolarHBondContact O-CB 3.23Å; A81-Y107 HydrophobicContact CB-CD1 3.81Å; A81-Y107 HydrophobicContact CB-CD2 4.32Å; A81-Y107 HydrophobicContact CB-CE1 3.33Å; A81-Y107 HydrophobicContact CB-CE2 3.93Å; A81-Y107 HydrophobicContact CB-CG 4.26Å; A81-Y107 PolarHBondContact N-O 3.46Å; A81-Y107 PolarHBondContact O-N 2.82Å
82T87.2Confident84.4Confident50 Ų5045 Ų4531%0.30724%0.237SC..PPolyproline II helixtrans-86.4130.9-177.6-38.50000110.4Y89 D90 D106T82-Y89 VanDerWaalsContact O-CA 3.27Å; T82-Y89 WeakPolarHBondContact O-CA 3.18Å; T82-Y89 VanDerWaalsContact O-CD1 3.23Å; T82-Y89 WeakPolarHBondContact O-CD1 3.38Å; T82-D90 VanDerWaalsContact CB-OD2 3.28Å; T82-D90 WeakPolarHBondContact CB-OD2 3.3Å; T82-D90 PolarHBondContact O-N 3.14Å; T82-D90 PolarHBondContact OG1-OD2 3.47Å; T82-D106 WeakPolarHBondContact CA-OD1 3.47Å
83L81.4Confident82.1Confident49 Ų4952.6 Ų52.626%0.25728%0.278SS..BIsolated β-bridgetrans-80.2124.2171.2-178.171.9000109.3Y89 L104 D106L83-Y89 HydrophobicContact CB-CD1 4.13Å; L83-Y89 HydrophobicContact CB-CE1 3.63Å; L83-Y89 HydrophobicContact CD1-CD1 4.43Å; L83-Y89 HydrophobicContact CD1-CD2 4.14Å; L83-Y89 HydrophobicContact CD1-CE1 4.06Å; L83-Y89 HydrophobicContact CD1-CE2 3.79Å; L83-Y89 HydrophobicContact CD1-CG 4.46Å; L83-Y89 HydrophobicContact CG-CE1 4.45Å; L83-L104 WeakPolarHBondContact CD2-O 3.18Å; L83-D106 PolarHBondContact N-OD1 3.35Å
84H80.8Confident79.7Confident73 Ų7353.5 Ų53.534%0.33828%0.284SS..PPolyproline II helixtrans-87.4160.5174.1-63.3-68000111.7D86 G87 T88 D90H84-D86 WeakPolarHBondContact CB-OD1 3.2Å; H84-D86 PolarHBondContact O-N 2.87Å; H84-D86 VanDerWaalsContact O-N 3.1Å; H84-G87 PolarHBondContact O-N 3.26Å; H84-T88 WeakPolarHBondContact CB-O 3.47Å; H84-T88 PolarHBondContact CD2-O 2.79Å; H84-T88 PolarHBondContact N-O 2.96Å; H84-D90 IonicContact CD2-OD1 3.97Å; H84-D90 IonicContact CE1-OD1 3.25Å; H84-D90 PolarHBondContact CE1-OD1 2.8Å; H84-D90 VanDerWaalsContact CE1-OD1 3.25Å; H84-D90 IonicContact NE2-OD1 2.72Å; H84-D90 PolarHBondContact NE2-OD1 2.92Å; H84-D90 IonicContact NE2-OD2 3.93Å
85D78.9Confident77Confident183 Ų18359.3 Ų59.398%0.97932%0.322SS*.THydrogen-bonded Turntrans-59.3-23.7-179.2-69.6-23.8000113.5G87D85-G87 PolarHBondContact O-N 2.97Å
86D79.6Confident74.7Confident118 Ų11865.5 Ų65.563%0.63135%0.349SS*.THydrogen-bonded Turntrans-82.72.6176.569.20000113.8H84 T88H84-D86 WeakPolarHBondContact CB-OD1 3.2Å; H84-D86 PolarHBondContact O-N 2.87Å; H84-D86 VanDerWaalsContact O-N 3.1Å; D86-T88 VanDerWaalsContact C-N 3.3Å; D86-T88 VanDerWaalsContact OD1-CB 3.28Å; D86-T88 WeakPolarHBondContact OD1-CB 3.26Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.02Å; D86-T88 PolarHBondContact OD1-N 2.84Å; D86-T88 PolarHBondContact OD1-OG1 2.92Å; D86-T88 PolarHBondContact OD2-OG1 3.08Å
87G73.3Confident72.5Confident29 Ų2965.7 Ų65.730%0.29935%0.35SS..SBendtrans81.26.5-179.100000114.2H84 D85H84-G87 PolarHBondContact O-N 3.26Å; D85-G87 PolarHBondContact O-N 2.97Å
88T72.7Confident70.2Confident69 Ų6971.3 Ų71.342%0.42338%0.376SS..  trans-95.4163.7176.173.10000111.4H84 D86H84-T88 WeakPolarHBondContact CB-O 3.47Å; H84-T88 PolarHBondContact CD2-O 2.79Å; H84-T88 PolarHBondContact N-O 2.96Å; D86-T88 VanDerWaalsContact C-N 3.3Å; D86-T88 VanDerWaalsContact OD1-CB 3.28Å; D86-T88 WeakPolarHBondContact OD1-CB 3.26Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.02Å; D86-T88 PolarHBondContact OD1-N 2.84Å; D86-T88 PolarHBondContact OD1-OG1 2.92Å; D86-T88 PolarHBondContact OD2-OG1 3.08Å
89Y75.9Confident67.9Low21 Ų2176.5 Ų76.58%0.08241%0.412CS..BIsolated β-bridgetrans-114.9161.1174.4-73-87.8000111.1A81 T82 L83 K91 I92 L104 R105 Y107A81-Y89 HydrophobicContact CB-CD1 4.05Å; T82-Y89 VanDerWaalsContact O-CA 3.27Å; T82-Y89 WeakPolarHBondContact O-CA 3.18Å; T82-Y89 VanDerWaalsContact O-CD1 3.23Å; T82-Y89 WeakPolarHBondContact O-CD1 3.38Å; L83-Y89 HydrophobicContact CB-CD1 4.13Å; L83-Y89 HydrophobicContact CB-CE1 3.63Å; L83-Y89 HydrophobicContact CD1-CD1 4.43Å; L83-Y89 HydrophobicContact CD1-CD2 4.14Å; L83-Y89 HydrophobicContact CD1-CE1 4.06Å; L83-Y89 HydrophobicContact CD1-CE2 3.79Å; L83-Y89 HydrophobicContact CD1-CG 4.46Å; L83-Y89 HydrophobicContact CG-CE1 4.45Å; Y89-K91 PolarHBondContact O-N 3.4Å; Y89-I92 HydrophobicContact CD2-CD1 3.56Å; Y89-I92 HydrophobicContact CE2-CD1 4.46Å; Y89-I92 HydrophobicContact CG-CD1 3.66Å; Y89-I92 HydrophobicContact CG-CG1 4.37Å; Y89-L104 PolarHBondContact OH-O 2.93Å; Y89-R105 PolarHBondContact OH-O 2.94Å; Y89-Y107 AromaticContact CD1-CD1 3.94Å; Y89-Y107 HydrophobicContact CD1-CD1 3.94Å; Y89-Y107 AromaticContact CD1-CE1 3.6Å; Y89-Y107 HydrophobicContact CD1-CE1 3.6Å; Y89-Y107 HydrophobicContact CD2-CE1 4.16Å; Y89-Y107 AromaticContact CE1-CD1 3.41Å; Y89-Y107 HydrophobicContact CE1-CD1 3.41Å; Y89-Y107 VanDerWaalsContact CE1-CD1 3.41Å; Y89-Y107 AromaticContact CE1-CE1 3.52Å; Y89-Y107 HydrophobicContact CE1-CE1 3.52Å; Y89-Y107 HydrophobicContact CE2-CD1 4.4Å; Y89-Y107 HydrophobicContact CE2-CE1 4.04Å; Y89-Y107 AromaticContact CG-CE1 3.94Å; Y89-Y107 HydrophobicContact CG-CE1 3.94Å; Y89-Y107 AromaticContact CZ-CD1 3.66Å; Y89-Y107 AromaticContact CZ-CE1 3.72Å
90D70.4Confident66.1Low66 Ų6683.4 Ų83.435%0.35344%0.442SS..SBendtrans-56.192.8172-74.1-39.6000112.4K79 T82 H84 I92K79-D90 PolarHBondContact NZ-O 2.85Å; T82-D90 VanDerWaalsContact CB-OD2 3.28Å; T82-D90 WeakPolarHBondContact CB-OD2 3.3Å; T82-D90 PolarHBondContact O-N 3.14Å; T82-D90 PolarHBondContact OG1-OD2 3.47Å; H84-D90 IonicContact CD2-OD1 3.97Å; H84-D90 IonicContact CE1-OD1 3.25Å; H84-D90 PolarHBondContact CE1-OD1 2.8Å; H84-D90 VanDerWaalsContact CE1-OD1 3.25Å; H84-D90 IonicContact NE2-OD1 2.72Å; H84-D90 PolarHBondContact NE2-OD1 2.92Å; H84-D90 IonicContact NE2-OD2 3.93Å; D90-I92 PolarHBondContact O-N 2.88Å
91K57.9Low64.5Low189 Ų18982.9 Ų82.982%0.82244%0.439SS*.  trans25.186.4179.7-80.2-171.7177.6-177.40112.6K79 Y89K79-K91 PolarHBondContact NZ-O 2.87Å; Y89-K91 PolarHBondContact O-N 3.4Å
92I50.5Low62.7Low22 Ų2285 Ų8511%0.11345%0.453CS..  trans-84.2117.7169.2-50.9172.7000107.4Y89 D90 S94 Y107Y89-I92 HydrophobicContact CD2-CD1 3.56Å; Y89-I92 HydrophobicContact CE2-CD1 4.46Å; Y89-I92 HydrophobicContact CG-CD1 3.66Å; Y89-I92 HydrophobicContact CG-CG1 4.37Å; D90-I92 PolarHBondContact O-N 2.88Å; I92-S94 PolarHBondContact O-N 2.84Å; I92-Y107 HydrophobicContact CD1-CE1 4Å; I92-Y107 WeakPolarHBondContact CD1-OH 3.41Å; I92-Y107 VanDerWaalsContact CG1-OH 3.26Å; I92-Y107 WeakPolarHBondContact CG1-OH 3.36Å
93D49.4Very low61.4Low173 Ų17388.5 Ų88.593%0.92548%0.475SS*.SBendtrans-74.636.2169.5-85.8-25.9000112.2
94S46.3Very low60.5Low26 Ų2688.9 Ų88.918%0.18248%0.477CS..  trans-135.589.3179.2169.30000110.9I92 K96 F97I92-S94 PolarHBondContact O-N 2.84Å; S94-K96 PolarHBondContact O-N 2.99Å; S94-F97 PolarHBondContact O-N 2.81Å
95P40.3Very low60.5Low121 Ų12194.2 Ų94.279%0.78649%0.494SS*.THydrogen-bonded Turntrans-62.2-6.2179.622.9-33.6000114.6
96K49.2Very low61.1Low130 Ų13087.7 Ų87.757%0.56546%0.46SS*.THydrogen-bonded Turntrans-94.1-10.1177-66.5-174.9-179.5-179.30113.9S94 Y166S94-K96 PolarHBondContact O-N 2.99Å; K96-Y166 PolarHBondContact NZ-OH 3.49Å
97F52.8Low61.7Low5 Ų582.1 Ų82.12%0.02243%0.43CS..THydrogen-bonded Turntrans-83.8-32.6-174.7-140.4-86.2000112.4S94 S99 F101 F143 L194 V196S94-F97 PolarHBondContact O-N 2.81Å; F97-S99 PolarHBondContact O-N 3.41Å; F97-F101 HydrophobicContact CD1-CB 3.88Å; F97-F101 AromaticContact CD1-CD2 3.72Å; F97-F101 HydrophobicContact CD1-CD2 3.72Å; F97-F101 AromaticContact CD1-CG 3.97Å; F97-F101 HydrophobicContact CD1-CG 3.97Å; F97-F101 HydrophobicContact CE1-CB 3.62Å; F97-F101 AromaticContact CE1-CD1 3.97Å; F97-F101 HydrophobicContact CE1-CD1 3.97Å; F97-F101 AromaticContact CE1-CD2 3.42Å; F97-F101 HydrophobicContact CE1-CD2 3.42Å; F97-F101 VanDerWaalsContact CE1-CD2 3.42Å; F97-F101 HydrophobicContact CE1-CE1 4.45Å; F97-F101 HydrophobicContact CE1-CE2 4.02Å; F97-F101 AromaticContact CE1-CG 3.41Å; F97-F101 HydrophobicContact CE1-CG 3.41Å; F97-F101 VanDerWaalsContact CE1-CG 3.41Å; F97-F101 HydrophobicContact CE2-CD2 4.42Å; F97-F101 HydrophobicContact CE2-CE2 4.3Å; F97-F101 HydrophobicContact CG-CD2 4.3Å; F97-F101 HydrophobicContact CZ-CD1 4.28Å; F97-F101 AromaticContact CZ-CD2 3.81Å; F97-F101 HydrophobicContact CZ-CD2 3.81Å; F97-F101 HydrophobicContact CZ-CE1 4.31Å; F97-F101 AromaticContact CZ-CE2 3.91Å; F97-F101 HydrophobicContact CZ-CE2 3.91Å; F97-F101 HydrophobicContact CZ-CG 4.03Å; F97-F101 HydrophobicContact CZ-CZ 4.18Å; F97-F143 HydrophobicContact CE1-CE1 4.38Å; F97-F143 AromaticContact CE1-CE2 3.56Å; F97-F143 HydrophobicContact CE1-CE2 3.56Å; F97-F143 AromaticContact CE1-CZ 3.33Å; F97-F143 HydrophobicContact CE1-CZ 3.33Å; F97-F143 HydrophobicContact CZ-CD2 4.33Å; F97-F143 AromaticContact CZ-CE2 3.36Å; F97-F143 HydrophobicContact CZ-CE2 3.36Å; F97-F143 AromaticContact CZ-CZ 3.67Å; F97-F143 HydrophobicContact CZ-CZ 3.67Å; F97-L194 HydrophobicContact CD2-CD2 4.27Å; F97-L194 HydrophobicContact CE2-CD1 4.29Å; F97-L194 HydrophobicContact CE2-CD2 4.3Å; F97-V196 HydrophobicContact CE2-CG2 4.34Å; F97-V196 HydrophobicContact CZ-CG2 4.41Å
98E50.9Low62.7Low119 Ų11980.7 Ų80.756%0.55642%0.415SS*.Hα-helixtrans-59.5-42.2-166-66.3-177.5170.800113.4K100 S102E98-K100 PolarHBondContact O-N 2.82Å; E98-S102 WeakPolarHBondContact O-CB 3.28Å; E98-S102 PolarHBondContact O-N 2.99Å; E98-S102 PolarHBondContact O-OG 2.88Å
99S50.3Low63.8Low108 Ų10878.5 Ų78.576%0.75540%0.4SS*.Hα-helixtrans-81.5-22.6-168.367.90000116.2F97F97-S99 PolarHBondContact O-N 3.41Å
100K57.5Low64.8Low180 Ų18077.7 Ų77.778%0.78340%0.397SS*.Hα-helixtrans-97.8-13.5-177.7-83.9-172.1177.7-177.70114.2E98E98-K100 PolarHBondContact O-N 2.82Å
101F59.5Low66.1Low10 Ų1078.2 Ų78.24%0.04440%0.397CS..Hα-helixtrans-128.9-6.7-170.5-62.3-90.5000114.1F97 T103 L104 F143 L165F97-F101 HydrophobicContact CD1-CB 3.88Å; F97-F101 AromaticContact CD1-CD2 3.72Å; F97-F101 HydrophobicContact CD1-CD2 3.72Å; F97-F101 AromaticContact CD1-CG 3.97Å; F97-F101 HydrophobicContact CD1-CG 3.97Å; F97-F101 HydrophobicContact CE1-CB 3.62Å; F97-F101 AromaticContact CE1-CD1 3.97Å; F97-F101 HydrophobicContact CE1-CD1 3.97Å; F97-F101 AromaticContact CE1-CD2 3.42Å; F97-F101 HydrophobicContact CE1-CD2 3.42Å; F97-F101 VanDerWaalsContact CE1-CD2 3.42Å; F97-F101 HydrophobicContact CE1-CE1 4.45Å; F97-F101 HydrophobicContact CE1-CE2 4.02Å; F97-F101 AromaticContact CE1-CG 3.41Å; F97-F101 HydrophobicContact CE1-CG 3.41Å; F97-F101 VanDerWaalsContact CE1-CG 3.41Å; F97-F101 HydrophobicContact CE2-CD2 4.42Å; F97-F101 HydrophobicContact CE2-CE2 4.3Å; F97-F101 HydrophobicContact CG-CD2 4.3Å; F97-F101 HydrophobicContact CZ-CD1 4.28Å; F97-F101 AromaticContact CZ-CD2 3.81Å; F97-F101 HydrophobicContact CZ-CD2 3.81Å; F97-F101 HydrophobicContact CZ-CE1 4.31Å; F97-F101 AromaticContact CZ-CE2 3.91Å; F97-F101 HydrophobicContact CZ-CE2 3.91Å; F97-F101 HydrophobicContact CZ-CG 4.03Å; F97-F101 HydrophobicContact CZ-CZ 4.18Å; F101-T103 PolarHBondContact O-N 3.46Å; F101-L104 HydrophobicContact CD1-CD1 4.14Å; F101-L104 PolarHBondContact O-N 2.64Å; F101-F143 HydrophobicContact CB-CE1 4.48Å; F101-F143 HydrophobicContact CD1-CD1 4.33Å; F101-F143 AromaticContact CD1-CE1 3.88Å; F101-F143 HydrophobicContact CD1-CE1 3.88Å; F101-F143 HydrophobicContact CD1-CZ 4.13Å; F101-L165 HydrophobicContact CE2-CD1 4.06Å; F101-L165 HydrophobicContact CZ-CD1 3.58Å
102S52.4Low67.9Low43 Ų4369.6 Ų69.630%0.30136%0.36SS..THydrogen-bonded Turntrans-60.34.7-171.749.70000117.4E98E98-S102 WeakPolarHBondContact O-CB 3.28Å; E98-S102 PolarHBondContact O-N 2.99Å; E98-S102 PolarHBondContact O-OG 2.88Å
103T58.7Low70.2Confident124 Ų12470.1 Ų70.176%0.76136%0.363SS*.THydrogen-bonded Turntrans-121.27.9176.666.60000112.9F101F101-T103 PolarHBondContact O-N 3.46Å
104L62.9Low72.5Confident58 Ų5862.3 Ų62.330%0.30432%0.322SS..SBendtrans-99149.2-179.2-64174.4000109.6L83 Y89 F101 A142 F143L83-L104 WeakPolarHBondContact CD2-O 3.18Å; Y89-L104 PolarHBondContact OH-O 2.93Å; F101-L104 HydrophobicContact CD1-CD1 4.14Å; F101-L104 PolarHBondContact O-N 2.64Å; L104-A142 HydrophobicContact CB-CB 3.85Å; L104-F143 HydrophobicContact CB-CE1 4.5Å; L104-F143 HydrophobicContact CD1-CD1 4.44Å; L104-F143 HydrophobicContact CD1-CE1 4.41Å
105R81.3Confident74.9Confident184 Ų18462.4 Ų62.469%0.69432%0.321SS*.  trans-48.2175173.9-61.8179.7-178.9-175.4-1.5112.1Y89 G140 A142Y89-R105 PolarHBondContact OH-O 2.94Å; R105-G140 WeakPolarHBondContact CD-O 3.19Å; R105-A142 HydrophobicContact CB-CB 4.39Å
106D90.9Very high77.6Confident47 Ų4759.3 Ų59.325%0.25130%0.297SS..  trans-38.8153.1170.6-58.4-4.8000113.2I80 A81 T82 L83 C141 A142I80-D106 HydrophobicContact CG2-CB 4.16Å; A81-D106 CarbonylContact O-C 3.55Å; A81-D106 WeakPolarHBondContact O-CA 3.15Å; A81-D106 WeakPolarHBondContact O-CB 3.23Å; T82-D106 WeakPolarHBondContact CA-OD1 3.47Å; L83-D106 PolarHBondContact N-OD1 3.35Å; D106-C141 CarbonylContact O-C 3.54Å; D106-C141 VanDerWaalsContact O-C 3.3Å; D106-C141 WeakPolarHBondContact O-CA 3.42Å; D106-C141 VanDerWaalsContact O-CB 3.28Å; D106-C141 WeakPolarHBondContact O-CB 3.39Å; D106-A142 PolarHBondContact O-N 2.97Å
107Y92Very high79.7Confident0 Ų059.9 Ų59.90%030%0.295CS..EExtended strand (participates in β ladder)trans-139.5160.9174.670.9-88.5000111.7I80 A81 Y89 I92 E109 F143I80-Y107 WeakPolarHBondContact CA-O 3.18Å; A81-Y107 HydrophobicContact CB-CD1 3.81Å; A81-Y107 HydrophobicContact CB-CD2 4.32Å; A81-Y107 HydrophobicContact CB-CE1 3.33Å; A81-Y107 HydrophobicContact CB-CE2 3.93Å; A81-Y107 HydrophobicContact CB-CG 4.26Å; A81-Y107 PolarHBondContact N-O 3.46Å; A81-Y107 PolarHBondContact O-N 2.82Å; Y89-Y107 AromaticContact CD1-CD1 3.94Å; Y89-Y107 HydrophobicContact CD1-CD1 3.94Å; Y89-Y107 AromaticContact CD1-CE1 3.6Å; Y89-Y107 HydrophobicContact CD1-CE1 3.6Å; Y89-Y107 HydrophobicContact CD2-CE1 4.16Å; Y89-Y107 AromaticContact CE1-CD1 3.41Å; Y89-Y107 HydrophobicContact CE1-CD1 3.41Å; Y89-Y107 VanDerWaalsContact CE1-CD1 3.41Å; Y89-Y107 AromaticContact CE1-CE1 3.52Å; Y89-Y107 HydrophobicContact CE1-CE1 3.52Å; Y89-Y107 HydrophobicContact CE2-CD1 4.4Å; Y89-Y107 HydrophobicContact CE2-CE1 4.04Å; Y89-Y107 AromaticContact CG-CE1 3.94Å; Y89-Y107 HydrophobicContact CG-CE1 3.94Å; Y89-Y107 AromaticContact CZ-CD1 3.66Å; Y89-Y107 AromaticContact CZ-CE1 3.72Å; I92-Y107 HydrophobicContact CD1-CE1 4Å; I92-Y107 WeakPolarHBondContact CD1-OH 3.41Å; I92-Y107 VanDerWaalsContact CG1-OH 3.26Å; I92-Y107 WeakPolarHBondContact CG1-OH 3.36Å; Y107-E109 HydrophobicContact CD2-CG 3.93Å; Y107-E109 HydrophobicContact CE2-CG 3.29Å; Y107-E109 WeakPolarHBondContact CE2-OE1 3.06Å; Y107-E109 PolarHBondContact OH-OE1 2.59Å; Y107-F143 VanDerWaalsContact CB-CE2 3.41Å; Y107-F143 WeakPolarHBondContact CB-O 3.45Å; Y107-F143 HydrophobicContact CD1-CE1 4.24Å; Y107-F143 HydrophobicContact CD1-CE2 4.09Å; Y107-F143 AromaticContact CD1-CZ 3.49Å; Y107-F143 HydrophobicContact CD1-CZ 3.49Å; Y107-F143 VanDerWaalsContact CD1-CZ 3.49Å; Y107-F143 HydrophobicContact CD2-CD2 4.21Å; Y107-F143 AromaticContact CD2-CE2 3.32Å; Y107-F143 HydrophobicContact CD2-CE2 3.32Å; Y107-F143 AromaticContact CD2-CZ 3.64Å; Y107-F143 HydrophobicContact CD2-CZ 3.64Å; Y107-F143 HydrophobicContact CE1-CZ 4.21Å; Y107-F143 HydrophobicContact CE2-CE2 4.04Å; Y107-F143 HydrophobicContact CE2-CZ 4.31Å; Y107-F143 HydrophobicContact CG-CD2 4.24Å; Y107-F143 HydrophobicContact CG-CE1 4.02Å; Y107-F143 AromaticContact CG-CE2 3.35Å; Y107-F143 HydrophobicContact CG-CE2 3.35Å; Y107-F143 AromaticContact CG-CZ 3.18Å; Y107-F143 HydrophobicContact CG-CZ 3.18Å
108M95Very high81.6Confident0 Ų065 Ų650%032%0.322CS..EExtended strand (participates in β ladder)trans-101.6125.8178.8-179.4172.7-70.600110.9A61 N78 K79 I80 L135 A136 F143 A144 S145A61-M108 HydrophobicContact CB-CE 3.92Å; N78-M108 HydrophobicContact CB-CE 4.46Å; N78-M108 HydrophobicContact CB-CG 4.01Å; N78-M108 HydrophobicContact CB-SD 3.94Å; K79-M108 CarbonylContact O-C 3.6Å; K79-M108 WeakPolarHBondContact O-CA 3.21Å; I80-M108 HydrophobicContact CD1-CE 4.42Å; I80-M108 HydrophobicContact CG1-CE 4.25Å; M108-L135 HydrophobicContact CE-CD2 4.32Å; M108-L135 HydrophobicContact CE-CG 4.42Å; M108-A136 HydrophobicContact CB-CB 3.84Å; M108-A136 HydrophobicContact CE-CB 3.73Å; M108-A136 HydrophobicContact CG-CB 4.5Å; M108-A136 HydrophobicContact SD-CB 3.92Å; M108-F143 PolarHBondContact N-O 3.25Å; M108-F143 VanDerWaalsContact N-O 3.12Å; M108-A144 HydrophobicContact CB-CB 4.41Å; M108-A144 CarbonylContact O-C 3.57Å; M108-A144 WeakPolarHBondContact O-CA 3.38Å; M108-S145 PolarHBondContact O-N 3.3Å
109E95.3Very high83.6Confident23 Ų2360.7 Ų60.711%0.10730%0.303CS..EExtended strand (participates in β ladder)trans-96.5123.2168.8-66.2179152.700109.1N78 K79 Y107 E111N78-E109 CarbonylContact C-O 3.57Å; N78-E109 WeakPolarHBondContact CA-O 3.32Å; K79-E109 HydrophobicContact CB-CB 4.39Å; K79-E109 PolarHBondContact N-O 3.42Å; K79-E109 PolarHBondContact O-N 3.26Å; Y107-E109 HydrophobicContact CD2-CG 3.93Å; Y107-E109 HydrophobicContact CE2-CG 3.29Å; Y107-E109 WeakPolarHBondContact CE2-OE1 3.06Å; Y107-E109 PolarHBondContact OH-OE1 2.59Å; E109-E111 WeakPolarHBondContact CB-OE1 3.36Å
110M97.9Very high85.7Confident3 Ų359.9 Ų59.92%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-93.499.3172.2-63.3179.7-178.800108.5L76 N78 V129 I133 A144 S145 T146 F157 F162L76-M110 HydrophobicContact CD1-CB 4.09Å; L76-M110 HydrophobicContact CD1-CG 4.46Å; L76-M110 HydrophobicContact CD2-CG 4.49Å; L76-M110 HydrophobicContact CD2-SD 4.26Å; N78-M110 WeakPolarHBondContact OD1-CG 3.37Å; M110-V129 HydrophobicContact CE-CG1 4.11Å; M110-V129 HydrophobicContact SD-CG1 4.14Å; M110-I133 HydrophobicContact CE-CG1 3.87Å; M110-A144 HydrophobicContact CE-CB 4.04Å; M110-S145 PolarHBondContact N-O 2.87Å; M110-T146 WeakPolarHBondContact O-CB 3.24Å; M110-T146 PolarHBondContact O-OG1 3.11Å; M110-F157 HydrophobicContact SD-CE1 3.59Å; M110-F157 VanDerWaalsContact SD-CE1 3.59Å; M110-F157 HydrophobicContact SD-CZ 4.16Å; M110-F162 HydrophobicContact CE-CZ 3.95Å; M110-F162 HydrophobicContact SD-CE1 4.49Å; M110-F162 HydrophobicContact SD-CZ 3.97Å
111E96.2Very high87.4Confident77 Ų7755.6 Ų55.636%0.3630%0.301SS..EExtended strand (participates in β ladder)trans-80.9-57.1-169.3-68.6-63.8152.600112.3L52 I77 K79 E109L52-E111 HydrophobicContact CD1-CG 4.41Å; I77-E111 PolarHBondContact O-N 3.44Å; K79-E111 HydrophobicContact CB-CG 4.47Å; E109-E111 WeakPolarHBondContact CB-OE1 3.36Å
112I97.7Very high89Confident9 Ų962 Ų625%0.04633%0.325CS..EExtended strand (participates in β ladder)trans-131.3117.9-178.9-64.7-179.5000110L24 F28 F49 L52 L76 I77L24-I112 HydrophobicContact CD1-CD1 4.11Å; L24-I112 HydrophobicContact CD2-CD1 4.02Å; L24-I112 HydrophobicContact CD2-CG2 3.6Å; F28-I112 HydrophobicContact CD2-CG2 3.8Å; F28-I112 HydrophobicContact CE1-CD1 4.18Å; F28-I112 HydrophobicContact CE1-CG2 4.38Å; F28-I112 HydrophobicContact CE2-CG2 3.58Å; F28-I112 HydrophobicContact CG-CG2 4.26Å; F28-I112 HydrophobicContact CZ-CD1 4.37Å; F28-I112 HydrophobicContact CZ-CG1 4.21Å; F28-I112 HydrophobicContact CZ-CG2 3.86Å; F49-I112 HydrophobicContact CD1-CD1 4.18Å; F49-I112 HydrophobicContact CE1-CD1 4.01Å; L52-I112 HydrophobicContact CD2-CD1 3.36Å; L52-I112 HydrophobicContact CD2-CG1 3.96Å; L76-I112 CarbonylContact C-O 3.53Å; L76-I112 VanDerWaalsContact CA-O 3.29Å; L76-I112 WeakPolarHBondContact CA-O 3.42Å; L76-I112 WeakPolarHBondContact CD1-O 3.38Å; I77-I112 HydrophobicContact CB-CB 4.39Å; I77-I112 HydrophobicContact CG1-CB 4.48Å; I77-I112 PolarHBondContact N-O 3.03Å; I77-I112 PolarHBondContact O-N 3.17Å
113L98.4Very high91.1Very high33 Ų3362 Ų6217%0.17333%0.331CS..EExtended strand (participates in β ladder)trans-104.9119.3166178.661.4000108.8L76 A125 L128 V129 L156 F157L76-L113 HydrophobicContact CB-CD1 4.17Å; L76-L113 HydrophobicContact CD1-CB 3.93Å; L76-L113 HydrophobicContact CD1-CD1 4.16Å; L113-A125 HydrophobicContact CD1-CB 4.12Å; L113-A125 HydrophobicContact CD2-CB 4.18Å; L113-A125 HydrophobicContact CG-CB 4.42Å; L113-L128 HydrophobicContact CD1-CB 4.41Å; L113-L128 HydrophobicContact CD1-CD1 4.24Å; L113-V129 HydrophobicContact CD1-CG2 4.36Å; L113-V129 HydrophobicContact CD2-CG2 4.02Å; L113-L156 HydrophobicContact CD2-CD2 3.87Å; L113-F157 HydrophobicContact CD2-CE2 4.42Å; L113-F157 HydrophobicContact CD2-CZ 4.13Å
114S97.8Very high92.9Very high9 Ų956.5 Ų56.56%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-136.1143.3177.1-167.90000112A74 M75A74-S114 CarbonylContact C-O 3.48Å; A74-S114 WeakPolarHBondContact CA-O 3.34Å; A74-S114 WeakPolarHBondContact CB-O 3.29Å; M75-S114 PolarHBondContact N-O 2.94Å; M75-S114 PolarHBondContact O-N 3.22Å
115V96.9Very high94.6Very high27 Ų2754.8 Ų54.816%0.16429%0.291CS..EExtended strand (participates in β ladder)trans-134.3128.1173.7178.20000106.8A74 R117 L119 T120 L124 A125A74-V115 HydrophobicContact CB-CB 4.3Å; A74-V115 HydrophobicContact CB-CG1 4.36Å; A74-V115 HydrophobicContact CB-CG2 3.91Å; V115-R117 PolarHBondContact O-N 3.41Å; V115-L119 HydrophobicContact CG1-CB 4.48Å; V115-T120 HydrophobicContact CG1-CG2 4.38Å; V115-L124 HydrophobicContact CG1-CB 4.36Å; V115-L124 HydrophobicContact CG1-CD1 4.24Å; V115-L124 HydrophobicContact CG2-CB 4.32Å; V115-A125 HydrophobicContact CG2-CB 3.74Å
116H95.8Very high95.4Very high57 Ų5751.6 Ų51.626%0.26428%0.283SS..  trans-51.2129.1178.9-175.4-83.8000109.9F23 D27 V73 N118 L119 T120F23-H116 HydrophobicContact CE2-CB 4.05Å; F23-H116 HydrophobicContact CZ-CB 3.98Å; D27-H116 IonicContact OD1-CD2 2.63Å; D27-H116 IonicContact OD1-CG 3.8Å; D27-H116 WeakPolarHBondContact OD2-CA 3.41Å; V73-H116 WeakPolarHBondContact O-CB 3.33Å; V73-H116 PolarHBondContact O-N 2.92Å; H116-N118 PolarHBondContact ND1-N 3.26Å; H116-N118 PolarHBondContact O-N 3.49Å; H116-L119 HydrophobicContact CB-CD1 4.4Å; H116-L119 WeakPolarHBondContact O-CA 3.11Å; H116-L119 PolarHBondContact O-N 2.81Å; H116-T120 PolarHBondContact O-N 2.97Å
117R93Very high95.7Very high141 Ų14153.7 Ų53.753%0.53229%0.29SS..G310 helixtrans-50.7-38.4-16868.5-173-164.5169.62.1115D27 E31 V115 L119 T120D27-R117 PolarHBondContact OD1-N 2.91Å; E31-R117 HydrophobicContact CG-CB 4.47Å; E31-R117 WeakPolarHBondContact OE1-CD 3.38Å; E31-R117 IonicContact OE1-NH1 3.05Å; E31-R117 PolarHBondContact OE1-NH1 2.96Å; V115-R117 PolarHBondContact O-N 3.41Å; R117-L119 PolarHBondContact O-N 3.05Å; R117-T120 WeakPolarHBondContact O-CG2 3.4Å; R117-T120 PolarHBondContact O-OG1 3.11Å; R117-T120 VanDerWaalsContact O-OG1 3.05Å
118N93.1Very high96Very high112 Ų11253.7 Ų53.760%0.59929%0.29SS*.G310 helixtrans-75.4-6.2-179.6-63.9-20.7000114.2H116H116-N118 PolarHBondContact ND1-N 3.26Å; H116-N118 PolarHBondContact O-N 3.49Å
119L93.9Very high96.2Very high30 Ų3053.7 Ų53.716%0.15729%0.29CS..G310 helixtrans-120.610.9-175.5-62.5176.3000112.5F7 V73 V115 H116 R117 L124F7-L119 HydrophobicContact CE1-CD1 4.07Å; F7-L119 HydrophobicContact CZ-CD1 4.29Å; F7-L119 HydrophobicContact CZ-CD2 4.03Å; V73-L119 HydrophobicContact CB-CD1 3.55Å; V73-L119 HydrophobicContact CG1-CD1 3.57Å; V73-L119 HydrophobicContact CG2-CD1 4.29Å; V115-L119 HydrophobicContact CG1-CB 4.48Å; H116-L119 HydrophobicContact CB-CD1 4.4Å; H116-L119 WeakPolarHBondContact O-CA 3.11Å; H116-L119 PolarHBondContact O-N 2.81Å; R117-L119 PolarHBondContact O-N 3.05Å; L119-L124 HydrophobicContact CB-CD1 4.24Å
120T92.8Very high96.4Very high90 Ų9055 Ų5555%0.55230%0.299SS*.THydrogen-bonded Turntrans-61.2161.1170.458.90000111.4V115 H116 R117 R122V115-T120 HydrophobicContact CG1-CG2 4.38Å; H116-T120 PolarHBondContact O-N 2.97Å; R117-T120 WeakPolarHBondContact O-CG2 3.4Å; R117-T120 PolarHBondContact O-OG1 3.11Å; R117-T120 VanDerWaalsContact O-OG1 3.05Å; T120-R122 PolarHBondContact O-N 3.26Å; T120-R122 VanDerWaalsContact O-N 3.13Å
121G93Very high96.4Very high90 Ų9055.3 Ų55.393%0.92830%0.302SS*.THydrogen-bonded Turntrans73.1-1.6-179.100000115.8
122R93.9Very high96.5Very high145 Ų14551.7 Ų51.755%0.54729%0.285SS..SBendtrans-95.310.3-178-60179-174.4-114.83.6114.8T120 L124T120-R122 PolarHBondContact O-N 3.26Å; T120-R122 VanDerWaalsContact O-N 3.13Å; R122-L124 VanDerWaalsContact C-N 3.27Å; R122-L124 HydrophobicContact CB-CG 4.31Å; R122-L124 PolarHBondContact O-N 3.25Å
123G95.8Very high96.6Very high43 Ų4352 Ų5244%0.44329%0.287SS..SBendtrans74.37.1179.500000115.8A125 K126 K127G123-A125 PolarHBondContact O-N 2.73Å; G123-K126 PolarHBondContact O-N 2.63Å; G123-K127 PolarHBondContact O-N 2.98Å
124L97.3Very high96.6Very high8 Ų855.9 Ų55.94%0.04230%0.304CS..Hα-helixtrans-60.6-45.5-178.5-59.5-175000112.6F7 V65 V73 A74 V115 L119 R122 K126 K127 L128F7-L124 HydrophobicContact CB-CD2 4.23Å; F7-L124 HydrophobicContact CD2-CD2 3.89Å; F7-L124 HydrophobicContact CE2-CD2 4.43Å; F7-L124 HydrophobicContact CG-CD2 4.01Å; V65-L124 HydrophobicContact CG1-CD2 4.21Å; V73-L124 HydrophobicContact CG2-CD1 4.31Å; A74-L124 HydrophobicContact CB-CB 4.09Å; A74-L124 HydrophobicContact CB-CD1 4.32Å; V115-L124 HydrophobicContact CG1-CB 4.36Å; V115-L124 HydrophobicContact CG1-CD1 4.24Å; V115-L124 HydrophobicContact CG2-CB 4.32Å; L119-L124 HydrophobicContact CB-CD1 4.24Å; R122-L124 VanDerWaalsContact C-N 3.27Å; R122-L124 HydrophobicContact CB-CG 4.31Å; R122-L124 PolarHBondContact O-N 3.25Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 2.99Å; L124-K127 WeakPolarHBondContact O-CB 3.25Å; L124-K127 PolarHBondContact O-N 3.39Å; L124-L128 PolarHBondContact O-N 2.85Å
125A98.1Very high96.6Very high22 Ų2256.4 Ų56.418%0.18231%0.306CS..Hα-helixtrans-58.5-44.4175.700000112.2L113 V115 G123 K127 L128 V129 L156L113-A125 HydrophobicContact CD1-CB 4.12Å; L113-A125 HydrophobicContact CD2-CB 4.18Å; L113-A125 HydrophobicContact CG-CB 4.42Å; V115-A125 HydrophobicContact CG2-CB 3.74Å; G123-A125 PolarHBondContact O-N 2.73Å; A125-K127 VanDerWaalsContact C-N 3.33Å; A125-K127 PolarHBondContact O-N 3.2Å; A125-L128 PolarHBondContact O-N 2.72Å; A125-V129 WeakPolarHBondContact O-CG2 3.22Å; A125-V129 PolarHBondContact O-N 2.9Å; A125-L156 HydrophobicContact CB-CD2 3.59Å
126K98.3Very high96.6Very high117 Ų11755.1 Ų55.151%0.50930%0.298SS..Hα-helixtrans-60.7-43.8176.7-178.1178177.7-178.60111.2G123 L124 L128 V129 V130 L156 L160G123-K126 PolarHBondContact O-N 2.63Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 2.99Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 3.48Å; K126-V129 PolarHBondContact O-N 2.82Å; K126-V130 HydrophobicContact CG-CG2 4.31Å; K126-V130 WeakPolarHBondContact O-CB 3.36Å; K126-V130 VanDerWaalsContact O-CG2 3.29Å; K126-V130 WeakPolarHBondContact O-CG2 3.45Å; K126-V130 PolarHBondContact O-N 2.67Å; K126-L156 HydrophobicContact CB-CD1 3.97Å; K126-L156 HydrophobicContact CG-CD1 4.41Å; K126-L160 HydrophobicContact CG-CD1 4.49Å; K126-L160 HydrophobicContact CG-CD2 4.23Å
127K97.9Very high96.6Very high92 Ų9256.9 Ų56.940%0.431%0.305SS..Hα-helixtrans-58.8-44.6178.3-172.2179.4-175.9-179.70111.5G123 L124 A125 A131G123-K127 PolarHBondContact O-N 2.98Å; L124-K127 WeakPolarHBondContact O-CB 3.25Å; L124-K127 PolarHBondContact O-N 3.39Å; A125-K127 VanDerWaalsContact C-N 3.33Å; A125-K127 PolarHBondContact O-N 3.2Å; K127-A131 WeakPolarHBondContact O-CB 3.41Å; K127-A131 PolarHBondContact O-N 3.27Å; K127-A131 VanDerWaalsContact O-N 3.14Å
128L98.8Very high96.8Very high0 Ų056.6 Ų56.60%031%0.314CS..Hα-helixtrans-62.5-51.5176.8-73.9161.7000112L9 V65 A74 L76 L113 L124 A125 K126 V130 A131 S132L9-L128 HydrophobicContact CD1-CD2 3.75Å; L9-L128 HydrophobicContact CD1-CG 4.49Å; V65-L128 HydrophobicContact CG2-CD1 4.27Å; V65-L128 HydrophobicContact CG2-CD2 4.05Å; V65-L128 HydrophobicContact CG2-CG 4.02Å; A74-L128 HydrophobicContact CB-CD1 3.66Å; L76-L128 HydrophobicContact CB-CB 3.81Å; L76-L128 HydrophobicContact CB-CD1 4.4Å; L76-L128 HydrophobicContact CB-CD2 4.19Å; L76-L128 HydrophobicContact CB-CG 4.37Å; L76-L128 HydrophobicContact CD2-CB 4.22Å; L113-L128 HydrophobicContact CD1-CB 4.41Å; L113-L128 HydrophobicContact CD1-CD1 4.24Å; L124-L128 PolarHBondContact O-N 2.85Å; A125-L128 PolarHBondContact O-N 2.72Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 3.48Å; L128-V130 VanDerWaalsContact C-N 3.33Å; L128-V130 PolarHBondContact O-N 2.99Å; L128-A131 PolarHBondContact O-N 3.45Å; L128-S132 PolarHBondContact O-N 3.41Å; L128-S132 PolarHBondContact O-OG 3.39Å
129V98.8Very high96.9Very high0 Ų055.6 Ų55.60%030%0.302CS..Hα-helixtrans-61.9-41.1-178.5177.20000111.6L76 M110 L113 A125 K126 S132 I133 L156 F157 L160 F162L76-V129 HydrophobicContact CD2-CB 4.38Å; L76-V129 HydrophobicContact CD2-CG2 3.92Å; M110-V129 HydrophobicContact CE-CG1 4.11Å; M110-V129 HydrophobicContact SD-CG1 4.14Å; L113-V129 HydrophobicContact CD1-CG2 4.36Å; L113-V129 HydrophobicContact CD2-CG2 4.02Å; A125-V129 WeakPolarHBondContact O-CG2 3.22Å; A125-V129 PolarHBondContact O-N 2.9Å; K126-V129 PolarHBondContact O-N 2.82Å; V129-S132 PolarHBondContact O-N 2.95Å; V129-I133 HydrophobicContact CG1-CD1 3.84Å; V129-I133 HydrophobicContact CG1-CG1 4.41Å; V129-I133 WeakPolarHBondContact O-CD1 3.19Å; V129-I133 VanDerWaalsContact O-CG1 3.28Å; V129-I133 WeakPolarHBondContact O-CG1 3.49Å; V129-I133 PolarHBondContact O-N 3.24Å; V129-L156 HydrophobicContact CG2-CD2 4.19Å; V129-F157 HydrophobicContact CG1-CD1 4.23Å; V129-F157 HydrophobicContact CG1-CE1 3.91Å; V129-F157 HydrophobicContact CG2-CE1 3.81Å; V129-F157 HydrophobicContact CG2-CZ 4.31Å; V129-L160 HydrophobicContact CB-CD1 3.75Å; V129-L160 HydrophobicContact CG1-CD1 3.43Å; V129-L160 VanDerWaalsContact CG1-CD1 3.43Å; V129-F162 HydrophobicContact CG1-CE2 4.28Å
130V98.6Very high96.8Very high49 Ų4955.4 Ų55.430%0.29731%0.308SS..Hα-helixtrans-62.2-47.4177.1169.40000111.2K126 L128 S132 I133 E134 L160K126-V130 HydrophobicContact CG-CG2 4.31Å; K126-V130 WeakPolarHBondContact O-CB 3.36Å; K126-V130 VanDerWaalsContact O-CG2 3.29Å; K126-V130 WeakPolarHBondContact O-CG2 3.45Å; K126-V130 PolarHBondContact O-N 2.67Å; L128-V130 VanDerWaalsContact C-N 3.33Å; L128-V130 PolarHBondContact O-N 2.99Å; V130-S132 VanDerWaalsContact C-N 3.31Å; V130-S132 PolarHBondContact O-N 3.24Å; V130-I133 PolarHBondContact O-N 3.43Å; V130-E134 WeakPolarHBondContact O-CG 3.26Å; V130-E134 PolarHBondContact O-N 3.14Å; V130-L160 HydrophobicContact CG2-CD2 4.29Å
131A98.7Very high96.8Very high11 Ų1151.4 Ų51.49%0.09128%0.283CS..Hα-helixtrans-60.6-40.1177.600000112.2L9 Y63 K127 L128 E134 L135L9-A131 HydrophobicContact CD2-CB 3.76Å; Y63-A131 HydrophobicContact CD2-CB 4.29Å; Y63-A131 HydrophobicContact CE2-CB 4.12Å; K127-A131 WeakPolarHBondContact O-CB 3.41Å; K127-A131 PolarHBondContact O-N 3.27Å; K127-A131 VanDerWaalsContact O-N 3.14Å; L128-A131 PolarHBondContact O-N 3.45Å; A131-E134 PolarHBondContact O-N 3.42Å; A131-L135 WeakPolarHBondContact O-CB 3.22Å; A131-L135 PolarHBondContact O-N 3.34Å
132S98.8Very high96.7Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-64.9-41.8175.4-70.80000113L76 N78 L128 V129 V130 L135 A136L76-S132 VanDerWaalsContact CD2-OG 3.31Å; L76-S132 WeakPolarHBondContact CD2-OG 3.33Å; N78-S132 PolarHBondContact ND2-OG 3.29Å; L128-S132 PolarHBondContact O-N 3.41Å; L128-S132 PolarHBondContact O-OG 3.39Å; V129-S132 PolarHBondContact O-N 2.95Å; V130-S132 VanDerWaalsContact C-N 3.31Å; V130-S132 PolarHBondContact O-N 3.24Å; S132-L135 PolarHBondContact O-N 2.93Å; S132-A136 WeakPolarHBondContact O-CB 3.45Å; S132-A136 PolarHBondContact O-N 3.05Å
133I98.6Very high96.7Very high16 Ų1641.3 Ų41.38%0.08222%0.222CC..Hα-helixtrans-62.5-45.4175.7-67.6160.8000110.8M110 V129 V130 L135 A136 K137 F162 K197M110-I133 HydrophobicContact CE-CG1 3.87Å; V129-I133 HydrophobicContact CG1-CD1 3.84Å; V129-I133 HydrophobicContact CG1-CG1 4.41Å; V129-I133 WeakPolarHBondContact O-CD1 3.19Å; V129-I133 VanDerWaalsContact O-CG1 3.28Å; V129-I133 WeakPolarHBondContact O-CG1 3.49Å; V129-I133 PolarHBondContact O-N 3.24Å; V130-I133 PolarHBondContact O-N 3.43Å; I133-L135 VanDerWaalsContact C-N 3.32Å; I133-L135 PolarHBondContact O-N 3.13Å; I133-A136 PolarHBondContact O-N 3.44Å; I133-K137 HydrophobicContact CG2-CD 4.32Å; I133-K137 WeakPolarHBondContact O-CG 3.47Å; I133-K137 PolarHBondContact O-N 2.89Å; I133-F162 HydrophobicContact CD1-CE2 4.01Å; I133-F162 HydrophobicContact CD1-CZ 4.46Å; I133-K197 HydrophobicContact CD1-CD 3.79Å; I133-K197 HydrophobicContact CG1-CD 4.37Å
134E98.5Very high96.7Very high115 Ų11539.3 Ų39.354%0.53720%0.201SC..Hα-helixtrans-60-44.3177.2-72.9175.3-179.400111.1V130 A131 K137 N138V130-E134 WeakPolarHBondContact O-CG 3.26Å; V130-E134 PolarHBondContact O-N 3.14Å; A131-E134 PolarHBondContact O-N 3.42Å; E134-K137 PolarHBondContact O-N 3.46Å; E134-N138 WeakPolarHBondContact O-CB 3.18Å; E134-N138 PolarHBondContact O-N 3.42Å; E134-N138 PolarHBondContact O-ND2 2.91Å
135L98.3Very high96.6Very high19 Ų1939.1 Ų39.110%0.09920%0.201CC..Hα-helixtrans-61.2-45.9175.3-178.165.3000112.2A61 Y63 M108 A131 S132 I133 K137 N138 R139A61-L135 HydrophobicContact CB-CD2 3.96Å; Y63-L135 HydrophobicContact CE2-CB 4.27Å; Y63-L135 HydrophobicContact CE2-CD2 3.91Å; M108-L135 HydrophobicContact CE-CD2 4.32Å; M108-L135 HydrophobicContact CE-CG 4.42Å; A131-L135 WeakPolarHBondContact O-CB 3.22Å; A131-L135 PolarHBondContact O-N 3.34Å; S132-L135 PolarHBondContact O-N 2.93Å; I133-L135 VanDerWaalsContact C-N 3.32Å; I133-L135 PolarHBondContact O-N 3.13Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.82Å; L135-N138 PolarHBondContact O-N 3.27Å; L135-R139 HydrophobicContact CD1-CG 4.25Å; L135-R139 WeakPolarHBondContact O-CB 3.43Å; L135-R139 WeakPolarHBondContact O-CG 3.32Å; L135-R139 PolarHBondContact O-N 2.98Å
136A96.8Very high96.5Very high0 Ų038.5 Ų38.50%020%0.195CC..Hα-helixtrans-59.4-45.5179.800000111.5M108 S132 I133 R139 G140 C141 W199M108-A136 HydrophobicContact CB-CB 3.84Å; M108-A136 HydrophobicContact CE-CB 3.73Å; M108-A136 HydrophobicContact CG-CB 4.5Å; M108-A136 HydrophobicContact SD-CB 3.92Å; S132-A136 WeakPolarHBondContact O-CB 3.45Å; S132-A136 PolarHBondContact O-N 3.05Å; I133-A136 PolarHBondContact O-N 3.44Å; A136-R139 CarbonylContact O-C 3.6Å; A136-R139 PolarHBondContact O-N 3.32Å; A136-G140 PolarHBondContact O-N 3.33Å; A136-C141 HydrophobicContact CB-CB 4.2Å; A136-C141 VanDerWaalsContact O-CB 3.3Å; A136-C141 WeakPolarHBondContact O-CB 3.28Å; A136-C141 PolarHBondContact O-N 3.01Å; A136-W199 HydrophobicContact CB-CH2 3.64Å; A136-W199 HydrophobicContact CB-CZ2 4.41Å; A136-W199 HydrophobicContact CB-CZ3 4.25Å
137K96.6Very high96.4Very high94 Ų9437.8 Ų37.841%0.40920%0.195SC..Hα-helixtrans-59.7-47.7174.6-72.3179.8177-151.90112I133 E134 L135 R139 G140 W199I133-K137 HydrophobicContact CG2-CD 4.32Å; I133-K137 WeakPolarHBondContact O-CG 3.47Å; I133-K137 PolarHBondContact O-N 2.89Å; E134-K137 PolarHBondContact O-N 3.46Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.82Å; K137-R139 PolarHBondContact O-N 3.04Å; K137-G140 PolarHBondContact O-N 3.42Å; K137-W199 HydrophobicContact CD-CB 4.33Å; K137-W199 HydrophobicContact CD-CG 4.34Å; K137-W199 HydrophobicContact CG-CB 4.41Å; K137-W199 HydrophobicContact CG-CD2 3.73Å; K137-W199 HydrophobicContact CG-CE3 4.11Å; K137-W199 HydrophobicContact CG-CG 3.91Å; K137-W199 HydrophobicContact CG-CZ2 4.12Å
138N97Very high96.4Very high136 Ų13633.6 Ų33.673%0.72718%0.178SC*.Hα-helixtrans-64.2-27.5-179.7-70.5-17.5000112.5E134 L135 G140E134-N138 WeakPolarHBondContact O-CB 3.18Å; E134-N138 PolarHBondContact O-N 3.42Å; E134-N138 PolarHBondContact O-ND2 2.91Å; L135-N138 PolarHBondContact O-N 3.27Å; N138-G140 VanDerWaalsContact C-N 3.27Å
139R94.6Very high96.2Very high90 Ų9034.8 Ų34.834%0.3419%0.185SC..THydrogen-bonded Turntrans-86.46.3174.1-71.6-169.4169.8174.10.1114S59 D60 L135 A136 K137 C141S59-R139 PolarHBondContact O-NH1 3.47Å; D60-R139 PolarHBondContact O-NH1 2.93Å; D60-R139 PolarHBondContact O-NH2 2.87Å; D60-R139 IonicContact OD2-NH2 2.87Å; D60-R139 PolarHBondContact OD2-NH2 3.43Å; L135-R139 HydrophobicContact CD1-CG 4.25Å; L135-R139 WeakPolarHBondContact O-CB 3.43Å; L135-R139 WeakPolarHBondContact O-CG 3.32Å; L135-R139 PolarHBondContact O-N 2.98Å; A136-R139 CarbonylContact O-C 3.6Å; A136-R139 PolarHBondContact O-N 3.32Å; K137-R139 PolarHBondContact O-N 3.04Å; R139-C141 PolarHBondContact O-N 2.93Å
140G92.8Very high96.1Very high27 Ų2736.8 Ų36.828%0.27820%0.196SC..THydrogen-bonded Turntrans72.317.9174.800000113.8R105 A136 K137 N138R105-G140 WeakPolarHBondContact CD-O 3.19Å; A136-G140 PolarHBondContact O-N 3.33Å; K137-G140 PolarHBondContact O-N 3.42Å; N138-G140 VanDerWaalsContact C-N 3.27Å
141C92.5Very high95.9Very high5 Ų537 Ų373%0.03419%0.194CC..  trans-56.8163.3171.4-690000110.4D106 A136 R139 W199D106-C141 CarbonylContact O-C 3.54Å; D106-C141 VanDerWaalsContact O-C 3.3Å; D106-C141 WeakPolarHBondContact O-CA 3.42Å; D106-C141 VanDerWaalsContact O-CB 3.28Å; D106-C141 WeakPolarHBondContact O-CB 3.39Å; A136-C141 HydrophobicContact CB-CB 4.2Å; A136-C141 VanDerWaalsContact O-CB 3.3Å; A136-C141 WeakPolarHBondContact O-CB 3.28Å; A136-C141 PolarHBondContact O-N 3.01Å; R139-C141 PolarHBondContact O-N 2.93Å; C141-W199 HydrophobicContact CB-CH2 3.59Å; C141-W199 HydrophobicContact CB-CZ2 3.51Å; C141-W199 WeakPolarHBondContact O-CZ2 3.42Å; C141-W199 PolarHBondContact O-NE1 2.85Å; C141-W199 VanDerWaalsContact O-NE1 3.08Å
142A91.2Very high95.8Very high24 Ų2439.3 Ų39.320%0.19821%0.214CC..SBendtrans-92.5-33.6174.700000112.7L104 R105 D106L104-A142 HydrophobicContact CB-CB 3.85Å; R105-A142 HydrophobicContact CB-CB 4.39Å; D106-A142 PolarHBondContact O-N 2.97Å
143F93.2Very high95.8Very high0 Ų040.4 Ų40.40%022%0.222CC..EExtended strand (participates in β ladder)trans-159.7173.6-178.258.9-87.4000110.5F97 F101 L104 Y107 M108 V196 K197 R198 W199F97-F143 HydrophobicContact CE1-CE1 4.38Å; F97-F143 AromaticContact CE1-CE2 3.56Å; F97-F143 HydrophobicContact CE1-CE2 3.56Å; F97-F143 AromaticContact CE1-CZ 3.33Å; F97-F143 HydrophobicContact CE1-CZ 3.33Å; F97-F143 HydrophobicContact CZ-CD2 4.33Å; F97-F143 AromaticContact CZ-CE2 3.36Å; F97-F143 HydrophobicContact CZ-CE2 3.36Å; F97-F143 AromaticContact CZ-CZ 3.67Å; F97-F143 HydrophobicContact CZ-CZ 3.67Å; F101-F143 HydrophobicContact CB-CE1 4.48Å; F101-F143 HydrophobicContact CD1-CD1 4.33Å; F101-F143 AromaticContact CD1-CE1 3.88Å; F101-F143 HydrophobicContact CD1-CE1 3.88Å; F101-F143 HydrophobicContact CD1-CZ 4.13Å; L104-F143 HydrophobicContact CB-CE1 4.5Å; L104-F143 HydrophobicContact CD1-CD1 4.44Å; L104-F143 HydrophobicContact CD1-CE1 4.41Å; Y107-F143 VanDerWaalsContact CB-CE2 3.41Å; Y107-F143 WeakPolarHBondContact CB-O 3.45Å; Y107-F143 HydrophobicContact CD1-CE1 4.24Å; Y107-F143 HydrophobicContact CD1-CE2 4.09Å; Y107-F143 AromaticContact CD1-CZ 3.49Å; Y107-F143 HydrophobicContact CD1-CZ 3.49Å; Y107-F143 VanDerWaalsContact CD1-CZ 3.49Å; Y107-F143 HydrophobicContact CD2-CD2 4.21Å; Y107-F143 AromaticContact CD2-CE2 3.32Å; Y107-F143 HydrophobicContact CD2-CE2 3.32Å; Y107-F143 AromaticContact CD2-CZ 3.64Å; Y107-F143 HydrophobicContact CD2-CZ 3.64Å; Y107-F143 HydrophobicContact CE1-CZ 4.21Å; Y107-F143 HydrophobicContact CE2-CE2 4.04Å; Y107-F143 HydrophobicContact CE2-CZ 4.31Å; Y107-F143 HydrophobicContact CG-CD2 4.24Å; Y107-F143 HydrophobicContact CG-CE1 4.02Å; Y107-F143 AromaticContact CG-CE2 3.35Å; Y107-F143 HydrophobicContact CG-CE2 3.35Å; Y107-F143 AromaticContact CG-CZ 3.18Å; Y107-F143 HydrophobicContact CG-CZ 3.18Å; M108-F143 PolarHBondContact N-O 3.25Å; M108-F143 VanDerWaalsContact N-O 3.12Å; F143-V196 HydrophobicContact CB-CG1 4.19Å; F143-V196 HydrophobicContact CD2-CG1 3.89Å; F143-V196 HydrophobicContact CG-CG1 4.23Å; F143-K197 WeakPolarHBondContact CA-O 3.42Å; F143-K197 VanDerWaalsContact CB-O 3.32Å; F143-K197 WeakPolarHBondContact CB-O 3.41Å; F143-R198 HydrophobicContact CB-CG 4.26Å; F143-W199 VanDerWaalsContact O-CH2 3.3Å; F143-W199 WeakPolarHBondContact O-CH2 3.3Å
144A95.3Very high95.7Very high0 Ų039.8 Ų39.80%022%0.219CC..EExtended strand (participates in β ladder)trans-118.5142.8166.400000110M108 M110 F162 V196 K197 W199M108-A144 HydrophobicContact CB-CB 4.41Å; M108-A144 CarbonylContact O-C 3.57Å; M108-A144 WeakPolarHBondContact O-CA 3.38Å; M110-A144 HydrophobicContact CE-CB 4.04Å; A144-F162 HydrophobicContact CB-CE1 4.2Å; A144-F162 HydrophobicContact CB-CZ 4.16Å; A144-V196 CarbonylContact O-C 3.54Å; A144-V196 WeakPolarHBondContact O-CA 3.5Å; A144-K197 PolarHBondContact N-O 3.08Å; A144-K197 PolarHBondContact O-N 3.21Å; A144-W199 HydrophobicContact CB-CZ3 4.17Å; A144-W199 VanDerWaalsContact N-CZ3 3.34Å
145S95.3Very high95.7Very high4 Ų439.2 Ų39.23%0.02822%0.216CC..EExtended strand (participates in β ladder)trans-128.8159.7177.862.20000111.5M108 M110 M195M108-S145 PolarHBondContact O-N 3.3Å; M110-S145 PolarHBondContact N-O 2.87Å; S145-M195 CarbonylContact C-O 3.5Å; S145-M195 VanDerWaalsContact CA-O 3.3Å; S145-M195 WeakPolarHBondContact CA-O 3.44Å
146T97Very high95.7Very high10 Ų1039.7 Ų39.76%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-158152.6173.3-171.90000110.3M110 A148 F157 F162 L194 M195M110-T146 WeakPolarHBondContact O-CB 3.24Å; M110-T146 PolarHBondContact O-OG1 3.11Å; T146-A148 HydrophobicContact CG2-CB 4.49Å; T146-F157 HydrophobicContact CG2-CD1 4.25Å; T146-F157 HydrophobicContact CG2-CD2 3.75Å; T146-F157 HydrophobicContact CG2-CE1 4.16Å; T146-F157 HydrophobicContact CG2-CE2 3.64Å; T146-F157 HydrophobicContact CG2-CG 4.07Å; T146-F157 HydrophobicContact CG2-CZ 3.86Å; T146-F162 HydrophobicContact CG2-CD1 4.47Å; T146-L194 WeakPolarHBondContact O-CA 3.49Å; T146-M195 HydrophobicContact CG2-CB 3.92Å; T146-M195 PolarHBondContact N-O 2.81Å; T146-M195 PolarHBondContact O-N 2.79Å
147I95.6Very high95.8Very high102 Ų10239.8 Ų39.852%0.52322%0.219SC..EExtended strand (participates in β ladder)trans-104.1100.6164.4-61176000107.5T149 A192 K193 L194I147-T149 HydrophobicContact CG2-CG2 4.32Å; I147-A192 HydrophobicContact CG2-CB 4.13Å; I147-K193 CarbonylContact C-O 3.54Å; I147-K193 WeakPolarHBondContact CA-O 3.23Å; I147-L194 HydrophobicContact CG1-CD1 4.13Å
148A96.9Very high95.9Very high3 Ų338.4 Ų38.43%0.02522%0.221CC..EExtended strand (participates in β ladder)trans-89.8111.3-177.300000110.9T146 Q154 F157 K193 M195T146-A148 HydrophobicContact CG2-CB 4.49Å; A148-Q154 HydrophobicContact CB-CB 4.49Å; A148-Q154 HydrophobicContact CB-CG 3.62Å; A148-Q154 PolarHBondContact O-NE2 2.73Å; A148-F157 HydrophobicContact CB-CD2 3.97Å; A148-F157 HydrophobicContact CB-CE2 4.23Å; A148-K193 PolarHBondContact N-O 3.38Å; A148-K193 PolarHBondContact O-N 2.63Å; A148-M195 HydrophobicContact CB-SD 4.03Å
149T96.1Very high96Very high26 Ų2640.1 Ų40.116%0.1622%0.222CC..  trans-99.4-1-176.360.10000114.1E32 L34 I147 T189 A192E32-T149 WeakPolarHBondContact OE1-CB 3.49Å; E32-T149 PolarHBondContact OE1-OG1 3.25Å; L34-T149 HydrophobicContact CD1-CG2 3.51Å; L34-T149 HydrophobicContact CG-CG2 4.2Å; I147-T149 HydrophobicContact CG2-CG2 4.32Å; T149-T189 WeakPolarHBondContact O-CG2 3.32Å; T149-A192 HydrophobicContact CG2-CB 3.99Å
150N95.3Very high96.2Very high42 Ų4237.2 Ų37.223%0.22521%0.213CC..SBendtrans-122.3132.8177.5-172.1-40000109.8P33 A152 S153 Q154P33-N150 HydrophobicContact CG-CB 3.98Å; N150-A152 PolarHBondContact O-N 3.2Å; N150-A152 VanDerWaalsContact O-N 3.14Å; N150-A152 WeakPolarHBondContact OD1-CB 3.34Å; N150-A152 PolarHBondContact OD1-N 3.02Å; N150-S153 PolarHBondContact O-N 3.32Å; N150-S153 VanDerWaalsContact O-N 3.08Å; N150-S153 PolarHBondContact O-OG 3.01Å; N150-Q154 WeakPolarHBondContact O-CG 3.43Å; N150-Q154 PolarHBondContact O-N 3.3Å
151I96Very high96.4Very high52 Ų5237.9 Ų37.927%0.26722%0.219SC..Hα-helixtrans-57.8-31.3-179.2-165.4139.3000113Q154 Q155 P188 T189I151-Q154 PolarHBondContact O-N 3.06Å; I151-Q155 HydrophobicContact CG1-CG 4.42Å; I151-Q155 WeakPolarHBondContact O-CB 3.38Å; I151-Q155 VanDerWaalsContact O-CG 3.23Å; I151-Q155 WeakPolarHBondContact O-CG 3.47Å; I151-Q155 PolarHBondContact O-N 2.99Å; I151-P188 HydrophobicContact CG2-CG 4.15Å; I151-T189 HydrophobicContact CB-CG2 4.34Å; I151-T189 PolarHBondContact N-OG1 3.08Å
152A96Very high96.7Very high60 Ų6038 Ų3850%0.49622%0.22SC..Hα-helixtrans-65-43.9176.800000112.2N150 L156N150-A152 PolarHBondContact O-N 3.2Å; N150-A152 VanDerWaalsContact O-N 3.14Å; N150-A152 WeakPolarHBondContact OD1-CB 3.34Å; N150-A152 PolarHBondContact OD1-N 3.02Å; A152-L156 PolarHBondContact O-N 3.04Å
153S97.5Very high97Very high24 Ų2443.1 Ų43.117%0.16824%0.239CC..Hα-helixtrans-71.9-39.4176.560.30000111.1N150 Q155 L156 F157N150-S153 PolarHBondContact O-N 3.32Å; N150-S153 VanDerWaalsContact O-N 3.08Å; N150-S153 PolarHBondContact O-OG 3.01Å; S153-Q155 VanDerWaalsContact C-N 3.31Å; S153-Q155 PolarHBondContact O-N 3.29Å; S153-L156 WeakPolarHBondContact O-CB 3.37Å; S153-L156 PolarHBondContact O-N 2.73Å; S153-L156 VanDerWaalsContact O-N 3.13Å; S153-F157 WeakPolarHBondContact O-CD2 3.14Å; S153-F157 WeakPolarHBondContact O-CG 3.33Å; S153-F157 PolarHBondContact O-N 3.23Å
154Q98.2Very high97.1Very high3 Ų346 Ų461%0.01426%0.257CS..Hα-helixtrans-55.4-45.3172.9-67.2173.916.800112.1A148 N150 I151 S158 C191 K193 M195A148-Q154 HydrophobicContact CB-CB 4.49Å; A148-Q154 HydrophobicContact CB-CG 3.62Å; A148-Q154 PolarHBondContact O-NE2 2.73Å; N150-Q154 WeakPolarHBondContact O-CG 3.43Å; N150-Q154 PolarHBondContact O-N 3.3Å; I151-Q154 PolarHBondContact O-N 3.06Å; Q154-S158 WeakPolarHBondContact O-CB 3.34Å; Q154-S158 PolarHBondContact O-N 3.06Å; Q154-S158 PolarHBondContact O-OG 2.88Å; Q154-C191 PolarHBondContact NE2-O 3.21Å; Q154-K193 HydrophobicContact CG-CB 4.4Å; Q154-K193 HydrophobicContact CG-CD 4.07Å; Q154-K193 HydrophobicContact CG-CG 4.44Å; Q154-M195 HydrophobicContact CB-SD 4.29Å; Q154-M195 HydrophobicContact CG-SD 4.36Å
155Q98Very high97Very high102 Ų10249.7 Ų49.748%0.47728%0.276SS..Hα-helixtrans-65.5-41.3176.5-74.3175.72.600112.1I151 S153 K159I151-Q155 HydrophobicContact CG1-CG 4.42Å; I151-Q155 WeakPolarHBondContact O-CB 3.38Å; I151-Q155 VanDerWaalsContact O-CG 3.23Å; I151-Q155 WeakPolarHBondContact O-CG 3.47Å; I151-Q155 PolarHBondContact O-N 2.99Å; S153-Q155 VanDerWaalsContact C-N 3.31Å; S153-Q155 PolarHBondContact O-N 3.29Å; Q155-K159 WeakPolarHBondContact O-CB 3.39Å; Q155-K159 VanDerWaalsContact O-CG 3.29Å; Q155-K159 WeakPolarHBondContact O-CG 3.33Å; Q155-K159 PolarHBondContact O-N 3.44Å
156L98.6Very high96.9Very high29 Ų2954.2 Ų54.215%0.15229%0.293CS..Hα-helixtrans-61.2-50.6175.7173.663.3000111.4L113 A125 K126 V129 A152 S153 S158 K159 L160L113-L156 HydrophobicContact CD2-CD2 3.87Å; A125-L156 HydrophobicContact CB-CD2 3.59Å; K126-L156 HydrophobicContact CB-CD1 3.97Å; K126-L156 HydrophobicContact CG-CD1 4.41Å; V129-L156 HydrophobicContact CG2-CD2 4.19Å; A152-L156 PolarHBondContact O-N 3.04Å; S153-L156 WeakPolarHBondContact O-CB 3.37Å; S153-L156 PolarHBondContact O-N 2.73Å; S153-L156 VanDerWaalsContact O-N 3.13Å; L156-S158 VanDerWaalsContact C-N 3.32Å; L156-S158 PolarHBondContact O-N 2.65Å; L156-K159 WeakPolarHBondContact O-CB 3.47Å; L156-K159 PolarHBondContact O-N 3.48Å; L156-L160 HydrophobicContact CD1-CD1 3.85Å; L156-L160 HydrophobicContact CD1-CG 4.22Å; L156-L160 HydrophobicContact CG-CD1 4.08Å; L156-L160 WeakPolarHBondContact O-CG 3.48Å; L156-L160 PolarHBondContact O-N 3.2Å
157F98.8Very high96.8Very high3 Ų356.4 Ų56.41%0.01331%0.307CS..Hα-helixtrans-60.6-43.3179.3-73.2-56.9000111.2M110 L113 V129 T146 A148 S153 K159 L160 G161 F162 M195M110-F157 HydrophobicContact SD-CE1 3.59Å; M110-F157 VanDerWaalsContact SD-CE1 3.59Å; M110-F157 HydrophobicContact SD-CZ 4.16Å; L113-F157 HydrophobicContact CD2-CE2 4.42Å; L113-F157 HydrophobicContact CD2-CZ 4.13Å; V129-F157 HydrophobicContact CG1-CD1 4.23Å; V129-F157 HydrophobicContact CG1-CE1 3.91Å; V129-F157 HydrophobicContact CG2-CE1 3.81Å; V129-F157 HydrophobicContact CG2-CZ 4.31Å; T146-F157 HydrophobicContact CG2-CD1 4.25Å; T146-F157 HydrophobicContact CG2-CD2 3.75Å; T146-F157 HydrophobicContact CG2-CE1 4.16Å; T146-F157 HydrophobicContact CG2-CE2 3.64Å; T146-F157 HydrophobicContact CG2-CG 4.07Å; T146-F157 HydrophobicContact CG2-CZ 3.86Å; A148-F157 HydrophobicContact CB-CD2 3.97Å; A148-F157 HydrophobicContact CB-CE2 4.23Å; S153-F157 WeakPolarHBondContact O-CD2 3.14Å; S153-F157 WeakPolarHBondContact O-CG 3.33Å; S153-F157 PolarHBondContact O-N 3.23Å; F157-K159 PolarHBondContact O-N 2.95Å; F157-L160 CarbonylContact O-C 3.6Å; F157-L160 WeakPolarHBondContact O-CA 3.15Å; F157-L160 PolarHBondContact O-N 3.34Å; F157-G161 PolarHBondContact O-N 2.89Å; F157-F162 HydrophobicContact CB-CB 3.94Å; F157-F162 HydrophobicContact CB-CD2 4.07Å; F157-F162 HydrophobicContact CB-CG 3.96Å; F157-F162 HydrophobicContact CD1-CD1 4.3Å; F157-F162 AromaticContact CD1-CD2 3.82Å; F157-F162 HydrophobicContact CD1-CD2 3.82Å; F157-F162 HydrophobicContact CD1-CE1 4.23Å; F157-F162 AromaticContact CD1-CE2 3.73Å; F157-F162 HydrophobicContact CD1-CE2 3.73Å; F157-F162 HydrophobicContact CD1-CG 4.12Å; F157-F162 AromaticContact CD1-CZ 3.96Å; F157-F162 HydrophobicContact CD1-CZ 3.96Å; F157-F162 HydrophobicContact CE1-CE2 4.38Å; F157-F162 HydrophobicContact CE1-CZ 4.27Å; F157-F162 HydrophobicContact CG-CD2 4.41Å; F157-F162 HydrophobicContact CG-CG 4.41Å; F157-F162 WeakPolarHBondContact O-CB 3.34Å; F157-F162 WeakPolarHBondContact O-CD2 3.34Å; F157-F162 PolarHBondContact O-N 2.86Å; F157-M195 HydrophobicContact CB-CE 3.79Å; F157-M195 HydrophobicContact CB-SD 3.85Å; F157-M195 HydrophobicContact CD2-SD 4.48Å
158S98.5Very high96.7Very high64 Ų6454.1 Ų54.145%0.44830%0.295SS..Hα-helixtrans-57.9-46.6174.3-56.60000111.6Q154 L156 L160 G161 M195Q154-S158 WeakPolarHBondContact O-CB 3.34Å; Q154-S158 PolarHBondContact O-N 3.06Å; Q154-S158 PolarHBondContact O-OG 2.88Å; L156-S158 VanDerWaalsContact C-N 3.32Å; L156-S158 PolarHBondContact O-N 2.65Å; S158-L160 PolarHBondContact O-N 3.43Å; S158-G161 PolarHBondContact O-N 3Å; S158-M195 WeakPolarHBondContact OG-CE 3.4Å
159K98.4Very high96.6Very high172 Ų17256.3 Ų56.375%0.74831%0.305SS*.Hα-helixtrans-62.7-25.5176.1-75.4172.9-179.2173.80113.4Q155 L156 F157 G161Q155-K159 WeakPolarHBondContact O-CB 3.39Å; Q155-K159 VanDerWaalsContact O-CG 3.29Å; Q155-K159 WeakPolarHBondContact O-CG 3.33Å; Q155-K159 PolarHBondContact O-N 3.44Å; L156-K159 WeakPolarHBondContact O-CB 3.47Å; L156-K159 PolarHBondContact O-N 3.48Å; F157-K159 PolarHBondContact O-N 2.95Å; K159-G161 VanDerWaalsContact C-N 3.31Å
160L98.6Very high96.5Very high30 Ų3055.5 Ų55.516%0.15730%0.3CS..THydrogen-bonded Turntrans-91.38.3175.9-66.9176.8000112.8K126 V129 V130 L156 F157 S158 F162 K197K126-L160 HydrophobicContact CG-CD1 4.49Å; K126-L160 HydrophobicContact CG-CD2 4.23Å; V129-L160 HydrophobicContact CB-CD1 3.75Å; V129-L160 HydrophobicContact CG1-CD1 3.43Å; V129-L160 VanDerWaalsContact CG1-CD1 3.43Å; V130-L160 HydrophobicContact CG2-CD2 4.29Å; L156-L160 HydrophobicContact CD1-CD1 3.85Å; L156-L160 HydrophobicContact CD1-CG 4.22Å; L156-L160 HydrophobicContact CG-CD1 4.08Å; L156-L160 WeakPolarHBondContact O-CG 3.48Å; L156-L160 PolarHBondContact O-N 3.2Å; F157-L160 CarbonylContact O-C 3.6Å; F157-L160 WeakPolarHBondContact O-CA 3.15Å; F157-L160 PolarHBondContact O-N 3.34Å; S158-L160 PolarHBondContact O-N 3.43Å; L160-F162 HydrophobicContact CB-CD2 4.35Å; L160-K197 WeakPolarHBondContact O-CD 3.3Å; L160-K197 VanDerWaalsContact O-CE 3.3Å; L160-K197 WeakPolarHBondContact O-CE 3.44Å; L160-K197 PolarHBondContact O-NZ 3.18Å
161G98.4Very high96.4Very high40 Ų4059.2 Ų59.241%0.41231%0.314SS..THydrogen-bonded Turntrans75.633.9175.400000113.4F157 S158 K159 K197F157-G161 PolarHBondContact O-N 2.89Å; S158-G161 PolarHBondContact O-N 3Å; K159-G161 VanDerWaalsContact C-N 3.31Å; G161-K197 PolarHBondContact O-NZ 3.08Å
162F98.3Very high96.3Very high9 Ų961.2 Ų61.24%0.03933%0.325CS..PPolyproline II helixtrans-83.2139.1159.3-73.5-113000109.1M110 V129 I133 A144 T146 F157 L160 M195 V196 K197M110-F162 HydrophobicContact CE-CZ 3.95Å; M110-F162 HydrophobicContact SD-CE1 4.49Å; M110-F162 HydrophobicContact SD-CZ 3.97Å; V129-F162 HydrophobicContact CG1-CE2 4.28Å; I133-F162 HydrophobicContact CD1-CE2 4.01Å; I133-F162 HydrophobicContact CD1-CZ 4.46Å; A144-F162 HydrophobicContact CB-CE1 4.2Å; A144-F162 HydrophobicContact CB-CZ 4.16Å; T146-F162 HydrophobicContact CG2-CD1 4.47Å; F157-F162 HydrophobicContact CB-CB 3.94Å; F157-F162 HydrophobicContact CB-CD2 4.07Å; F157-F162 HydrophobicContact CB-CG 3.96Å; F157-F162 HydrophobicContact CD1-CD1 4.3Å; F157-F162 AromaticContact CD1-CD2 3.82Å; F157-F162 HydrophobicContact CD1-CD2 3.82Å; F157-F162 HydrophobicContact CD1-CE1 4.23Å; F157-F162 AromaticContact CD1-CE2 3.73Å; F157-F162 HydrophobicContact CD1-CE2 3.73Å; F157-F162 HydrophobicContact CD1-CG 4.12Å; F157-F162 AromaticContact CD1-CZ 3.96Å; F157-F162 HydrophobicContact CD1-CZ 3.96Å; F157-F162 HydrophobicContact CE1-CE2 4.38Å; F157-F162 HydrophobicContact CE1-CZ 4.27Å; F157-F162 HydrophobicContact CG-CD2 4.41Å; F157-F162 HydrophobicContact CG-CG 4.41Å; F157-F162 WeakPolarHBondContact O-CB 3.34Å; F157-F162 WeakPolarHBondContact O-CD2 3.34Å; F157-F162 PolarHBondContact O-N 2.86Å; L160-F162 HydrophobicContact CB-CD2 4.35Å; F162-M195 HydrophobicContact CB-CB 4.12Å; F162-M195 HydrophobicContact CB-CE 4.1Å; F162-M195 HydrophobicContact CD1-CB 4.26Å; F162-V196 CarbonylContact C-O 3.3Å; F162-V196 WeakPolarHBondContact CA-O 3.24Å; F162-K197 HydrophobicContact CB-CB 4.39Å; F162-K197 HydrophobicContact CD1-CB 3.6Å; F162-K197 HydrophobicContact CD2-CB 3.62Å; F162-K197 HydrophobicContact CD2-CD 3.85Å; F162-K197 HydrophobicContact CD2-CG 4.29Å; F162-K197 HydrophobicContact CE1-CB 3.59Å; F162-K197 HydrophobicContact CE2-CB 3.61Å; F162-K197 HydrophobicContact CE2-CD 3.59Å; F162-K197 HydrophobicContact CE2-CG 4.23Å; F162-K197 HydrophobicContact CG-CB 3.6Å; F162-K197 HydrophobicContact CZ-CB 3.6Å; F162-K197 HydrophobicContact CZ-CD 4.2Å
163E96.6Very high96.1Very high130 Ų13063.5 Ų63.561%0.60732%0.322SS*.EExtended strand (participates in β ladder)trans-98.2143.5173.6-63.5174176.500109.7M195 V196E163-M195 CarbonylContact O-C 3.43Å; E163-M195 WeakPolarHBondContact O-CA 3.22Å; E163-V196 PolarHBondContact N-O 2.76Å; E163-V196 PolarHBondContact O-N 2.73Å
164T95.7Very high95.8Very high61 Ų6167.4 Ų67.437%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-83.1117.6172.1-59.50000109.9T167 K193T164-T167 WeakPolarHBondContact CG2-OG1 3.38Å; T164-K193 HydrophobicContact CG2-CB 4.05Å; T164-K193 HydrophobicContact CG2-CD 4.01Å; T164-K193 HydrophobicContact CG2-CG 4.03Å
165L93Very high95.5Very high77 Ų7769.2 Ų69.240%0.40335%0.348SS..EExtended strand (participates in β ladder)trans-92.1-32.3176.7-61.5-171.9000112.8F101 L194 V196F101-L165 HydrophobicContact CE2-CD1 4.06Å; F101-L165 HydrophobicContact CZ-CD1 3.58Å; L165-L194 HydrophobicContact CB-CD2 4.45Å; L165-L194 PolarHBondContact N-O 3.4Å; L165-V196 HydrophobicContact CD1-CB 3.83Å; L165-V196 HydrophobicContact CD1-CG2 3.37Å; L165-V196 HydrophobicContact CG-CB 4.16Å; L165-V196 HydrophobicContact CG-CG2 3.98Å
166Y93.1Very high95.3Very high100 Ų10071.8 Ų71.839%0.39237%0.365SS..EExtended strand (participates in β ladder)trans-148.2142-179.6-175-102.7000110K96 L168 K193 L194K96-Y166 PolarHBondContact NZ-OH 3.49Å; Y166-L168 HydrophobicContact CE1-CB 3.96Å; Y166-K193 CarbonylContact O-C 3.51Å; Y166-K193 WeakPolarHBondContact O-CA 3.45Å; Y166-L194 PolarHBondContact N-O 3.04Å; Y166-L194 PolarHBondContact O-N 3.28Å
167T95.2Very high95.1Very high56 Ų5676.6 Ų76.634%0.34439%0.387SS..EExtended strand (participates in β ladder)trans-124130.3174.6-59.50000108T164 M169 C191 K193T164-T167 WeakPolarHBondContact CG2-OG1 3.38Å; T167-M169 HydrophobicContact CG2-SD 3.96Å; T167-C191 HydrophobicContact CG2-CB 3.59Å; T167-K193 HydrophobicContact CG2-CG 4.2Å
168L93.6Very high94.8Very high54 Ų5478.8 Ų78.828%0.28341%0.41SS..EExtended strand (participates in β ladder)trans-112.2113.3169.5179.462.3000107.9Y166 D172 Y173 C191 A192Y166-L168 HydrophobicContact CE1-CB 3.96Å; L168-D172 HydrophobicContact CD1-CB 4.46Å; L168-Y173 HydrophobicContact CD2-CD2 3.95Å; L168-C191 CarbonylContact O-C 3.58Å; L168-C191 WeakPolarHBondContact O-CA 3.46Å; L168-C191 VanDerWaalsContact O-CB 3.28Å; L168-C191 WeakPolarHBondContact O-CB 3.34Å; L168-A192 PolarHBondContact N-O 3.29Å; L168-A192 PolarHBondContact O-N 3.33Å
169M95.3Very high94.5Very high48 Ų4882.5 Ų82.524%0.23642%0.415CS..EExtended strand (participates in β ladder)trans-69.6138.7173.8-50.1-60.5-62.100108.9T167 K171 D172 D190 C191T167-M169 HydrophobicContact CG2-SD 3.96Å; M169-K171 HydrophobicContact CB-CG 3.81Å; M169-K171 PolarHBondContact O-N 3.36Å; M169-D172 HydrophobicContact CB-CB 4.4Å; M169-D172 VanDerWaalsContact CB-OD2 3.32Å; M169-D172 WeakPolarHBondContact CB-OD2 3.46Å; M169-D172 WeakPolarHBondContact CG-OD2 3.37Å; M169-D172 PolarHBondContact O-N 3.24Å; M169-D190 CarbonylContact C-O 3.59Å; M169-D190 WeakPolarHBondContact CA-O 3.25Å; M169-D190 HydrophobicContact CE-CB 4.19Å; M169-D190 WeakPolarHBondContact CE-OD2 3.49Å; M169-C191 HydrophobicContact CE-CB 4.3Å; M169-C191 HydrophobicContact SD-CB 3.81Å
170H94.1Very high94.2Very high9 Ų978.2 Ų78.24%0.04240%0.397CS..G310 helixtrans-59.7-37.3179.1-63.2165.3000112D172 Y173 F182 C184 T189 D190H170-D172 PolarHBondContact O-N 3.05Å; H170-Y173 PolarHBondContact O-N 3.04Å; H170-F182 HydrophobicContact CB-CB 4.18Å; H170-F182 VanDerWaalsContact CB-O 3.3Å; H170-F182 WeakPolarHBondContact CB-O 3.26Å; H170-C184 PolarHBondContact ND1-SG 3.29Å; H170-T189 PolarHBondContact CE1-O 3.01Å; H170-T189 PolarHBondContact ND1-O 2.96Å; H170-D190 PolarHBondContact N-O 3.31Å
171K93.1Very high93.9Very high120 Ų12079.8 Ų79.852%0.52241%0.405SS..G310 helixtrans-60.4-24.317565.8171.6-170.5176.60114.2M169 Y173 M174M169-K171 HydrophobicContact CB-CG 3.81Å; M169-K171 PolarHBondContact O-N 3.36Å; K171-Y173 VanDerWaalsContact C-N 3.33Å; K171-M174 WeakPolarHBondContact O-CE 3.34Å
172D93.2Very high93.6Very high94 Ų9479.5 Ų79.550%0.50339%0.393SS..G310 helixtrans-89.2-6.7-179.8-58-26.5000111.2L168 M169 H170 M174L168-D172 HydrophobicContact CD1-CB 4.46Å; M169-D172 HydrophobicContact CB-CB 4.4Å; M169-D172 VanDerWaalsContact CB-OD2 3.32Å; M169-D172 WeakPolarHBondContact CB-OD2 3.46Å; M169-D172 WeakPolarHBondContact CG-OD2 3.37Å; M169-D172 PolarHBondContact O-N 3.24Å; H170-D172 PolarHBondContact O-N 3.05Å; D172-M174 PolarHBondContact O-N 2.82Å
173Y91.2Very high93.1Very high109 Ų10984.2 Ų84.243%0.42742%0.418SS..  trans-95.992.7175.9-163.2-100.7000110.6L168 H170 K171 I181 F182L168-Y173 HydrophobicContact CD2-CD2 3.95Å; H170-Y173 PolarHBondContact O-N 3.04Å; K171-Y173 VanDerWaalsContact C-N 3.33Å; Y173-I181 HydrophobicContact CD1-CB 3.94Å; Y173-I181 HydrophobicContact CD1-CD1 3.9Å; Y173-I181 HydrophobicContact CD1-CG1 4.42Å; Y173-I181 HydrophobicContact CD1-CG2 4.37Å; Y173-I181 HydrophobicContact CE1-CB 4.26Å; Y173-I181 HydrophobicContact CE1-CD1 3.64Å; Y173-I181 HydrophobicContact CE1-CG2 4.32Å; Y173-I181 PolarHBondContact O-N 2.99Å; Y173-F182 AromaticContact CD1-CD2 3.41Å; Y173-F182 HydrophobicContact CD1-CD2 3.41Å; Y173-F182 VanDerWaalsContact CD1-CD2 3.41Å; Y173-F182 AromaticContact CD1-CE2 3.37Å; Y173-F182 HydrophobicContact CD1-CE2 3.37Å; Y173-F182 AromaticContact CE1-CD2 3.97Å; Y173-F182 HydrophobicContact CE1-CD2 3.97Å; Y173-F182 AromaticContact CE1-CE2 3.4Å; Y173-F182 HydrophobicContact CE1-CE2 3.4Å; Y173-F182 VanDerWaalsContact CE1-CE2 3.4Å; Y173-F182 HydrophobicContact CE1-CZ 4.29Å; Y173-F182 HydrophobicContact CG-CD2 4.16Å; Y173-F182 HydrophobicContact CG-CE2 4.29Å
174M92.3Very high92.6Very high106 Ų10678.8 Ų78.852%0.52239%0.394SS..BIsolated β-bridgetrans-109.4152.6-172.6-58.2-178.1-177.700112.3K171 D172 R179K171-M174 WeakPolarHBondContact O-CE 3.34Å; D172-M174 PolarHBondContact O-N 2.82Å; M174-R179 CarbonylContact C-O 3.49Å; M174-R179 VanDerWaalsContact CA-O 3.25Å; M174-R179 WeakPolarHBondContact CA-O 3.35Å
175D92.2Very high92.1Very high40 Ų4078.8 Ų78.821%0.21441%0.407CS..  trans-76.1178.5167.3747000112Q177 G178 R179 I181D175-Q177 PolarHBondContact O-N 3.2Å; D175-Q177 VanDerWaalsContact O-N 3.08Å; D175-Q177 VanDerWaalsContact OD1-C 3.31Å; D175-Q177 VanDerWaalsContact OD1-CA 3.3Å; D175-Q177 WeakPolarHBondContact OD1-CA 3.4Å; D175-Q177 WeakPolarHBondContact OD1-CB 3.45Å; D175-Q177 PolarHBondContact OD1-N 3.46Å; D175-G178 PolarHBondContact O-N 3.14Å; D175-G178 PolarHBondContact OD1-N 2.92Å; D175-G178 VanDerWaalsContact OD1-N 3.08Å; D175-R179 PolarHBondContact N-O 3.14Å; D175-R179 WeakPolarHBondContact OD1-CB 3.34Å; D175-R179 PolarHBondContact OD1-N 2.77Å; D175-R179 IonicContact OD1-NE 3.93Å; D175-R179 IonicContact OD2-CZ 3.2Å; D175-R179 IonicContact OD2-NE 3.62Å; D175-R179 PolarHBondContact OD2-NE 3.2Å; D175-R179 IonicContact OD2-NH2 2.73Å; D175-R179 PolarHBondContact OD2-NH2 3.16Å; D175-I181 HydrophobicContact CB-CD1 4.02Å; D175-I181 HydrophobicContact CB-CG1 3.92Å
176N93.9Very high91.6Very high156 Ų15681.3 Ų81.383%0.83443%0.431SS*.THydrogen-bonded Turntrans-66.1-7.1178.564.7-12000114.5
177Q94.4Very high91.4Very high131 Ų13178.3 Ų78.361%0.61242%0.421SS*.THydrogen-bonded Turntrans-103.95.8174.7-59.6-174.9-7.200112D175 R179D175-Q177 PolarHBondContact O-N 3.2Å; D175-Q177 VanDerWaalsContact O-N 3.08Å; D175-Q177 VanDerWaalsContact OD1-C 3.31Å; D175-Q177 VanDerWaalsContact OD1-CA 3.3Å; D175-Q177 WeakPolarHBondContact OD1-CA 3.4Å; D175-Q177 WeakPolarHBondContact OD1-CB 3.45Å; D175-Q177 PolarHBondContact OD1-N 3.46Å; Q177-R179 VanDerWaalsContact C-N 3.32Å; Q177-R179 HydrophobicContact CB-CG 4.42Å; Q177-R179 VanDerWaalsContact OE1-NH2 3.12Å
178G92.8Very high91.1Very high48 Ų4880.4 Ų80.450%0.49544%0.436SS..SBendtrans76.515.8-17900000114D175D175-G178 PolarHBondContact O-N 3.14Å; D175-G178 PolarHBondContact OD1-N 2.92Å; D175-G178 VanDerWaalsContact OD1-N 3.08Å
179R91.6Very high91.1Very high143 Ų14378 Ų7854%0.5442%0.424SS..  trans-90.8134.9177.3-57.7176.1-62.4-168.60109.7M174 D175 Q177 I181M174-R179 CarbonylContact C-O 3.49Å; M174-R179 VanDerWaalsContact CA-O 3.25Å; M174-R179 WeakPolarHBondContact CA-O 3.35Å; D175-R179 PolarHBondContact N-O 3.14Å; D175-R179 WeakPolarHBondContact OD1-CB 3.34Å; D175-R179 PolarHBondContact OD1-N 2.77Å; D175-R179 IonicContact OD1-NE 3.93Å; D175-R179 IonicContact OD2-CZ 3.2Å; D175-R179 IonicContact OD2-NE 3.62Å; D175-R179 PolarHBondContact OD2-NE 3.2Å; D175-R179 IonicContact OD2-NH2 2.73Å; D175-R179 PolarHBondContact OD2-NH2 3.16Å; Q177-R179 VanDerWaalsContact C-N 3.32Å; Q177-R179 HydrophobicContact CB-CG 4.42Å; Q177-R179 VanDerWaalsContact OE1-NH2 3.12Å; R179-I181 PolarHBondContact O-N 3.27Å
180Q92Very high91.1Very high81 Ų8179.8 Ų79.838%0.37943%0.434SS..BIsolated β-bridgetrans-60.4124.1173.8178.3173.5-10.400110.1F182Q180-F182 PolarHBondContact NE2-O 3.4Å
181I91.8Very high91.1Very high64 Ų6479.5 Ų79.533%0.32843%0.433SS..SBendtrans-78-41.5179.3-67.4169.1000110.3T37 Y173 D175 R179T37-I181 WeakPolarHBondContact CG2-O 3.37Å; Y173-I181 HydrophobicContact CD1-CB 3.94Å; Y173-I181 HydrophobicContact CD1-CD1 3.9Å; Y173-I181 HydrophobicContact CD1-CG1 4.42Å; Y173-I181 HydrophobicContact CD1-CG2 4.37Å; Y173-I181 HydrophobicContact CE1-CB 4.26Å; Y173-I181 HydrophobicContact CE1-CD1 3.64Å; Y173-I181 HydrophobicContact CE1-CG2 4.32Å; Y173-I181 PolarHBondContact O-N 2.99Å; D175-I181 HydrophobicContact CB-CD1 4.02Å; D175-I181 HydrophobicContact CB-CG1 3.92Å; R179-I181 PolarHBondContact O-N 3.27Å
182F91.6Very high91.3Very high34 Ų3474.5 Ų74.515%0.14941%0.414CS..  trans-105.779-175.7-63-60.6000111.6L34 L38 H170 Y173 Q180L34-F182 HydrophobicContact CB-CD1 4.06Å; L34-F182 HydrophobicContact CB-CE1 3.96Å; L34-F182 HydrophobicContact CD1-CZ 4.48Å; L34-F182 HydrophobicContact CD2-CB 3.88Å; L34-F182 HydrophobicContact CD2-CD1 3.75Å; L34-F182 HydrophobicContact CD2-CD2 4.21Å; L34-F182 HydrophobicContact CD2-CE1 4.32Å; L34-F182 HydrophobicContact CD2-CG 3.69Å; L34-F182 HydrophobicContact CG-CD1 4.38Å; L38-F182 HydrophobicContact CD1-CE1 4.49Å; L38-F182 HydrophobicContact CD2-CE1 3.95Å; L38-F182 HydrophobicContact CG-CE1 4.16Å; H170-F182 HydrophobicContact CB-CB 4.18Å; H170-F182 VanDerWaalsContact CB-O 3.3Å; H170-F182 WeakPolarHBondContact CB-O 3.26Å; Y173-F182 AromaticContact CD1-CD2 3.41Å; Y173-F182 HydrophobicContact CD1-CD2 3.41Å; Y173-F182 VanDerWaalsContact CD1-CD2 3.41Å; Y173-F182 AromaticContact CD1-CE2 3.37Å; Y173-F182 HydrophobicContact CD1-CE2 3.37Å; Y173-F182 AromaticContact CE1-CD2 3.97Å; Y173-F182 HydrophobicContact CE1-CD2 3.97Å; Y173-F182 AromaticContact CE1-CE2 3.4Å; Y173-F182 HydrophobicContact CE1-CE2 3.4Å; Y173-F182 VanDerWaalsContact CE1-CE2 3.4Å; Y173-F182 HydrophobicContact CE1-CZ 4.29Å; Y173-F182 HydrophobicContact CG-CD2 4.16Å; Y173-F182 HydrophobicContact CG-CE2 4.29Å; Q180-F182 PolarHBondContact NE2-O 3.4Å
183D88.6Confident91.4Very high107 Ų10772.3 Ų72.357%0.57240%0.4SS*.  trans-93.397.9166.8-174.8-2000110.2G185D183-G185 PolarHBondContact O-N 3.03Å; D183-G185 VanDerWaalsContact O-N 3.16Å; D183-G185 PolarHBondContact OD1-N 3.35Å; D183-G185 VanDerWaalsContact OD1-N 3.14Å
184C86.2Confident91.6Very high16 Ų1668.4 Ų68.411%0.10839%0.387CS..  trans-77.19-176.3-57.30000114P33 H170 S186 N187P33-C184 HydrophobicContact CB-CB 4.41Å; H170-C184 PolarHBondContact ND1-SG 3.29Å; C184-S186 PolarHBondContact O-N 2.84Å; C184-N187 HydrophobicContact CB-CB 4.04Å; C184-N187 WeakPolarHBondContact O-CB 3.28Å; C184-N187 PolarHBondContact O-N 2.96Å
185G84.5Confident91.8Very high62 Ų6263.4 Ų63.464%0.63936%0.362SS*.THydrogen-bonded Turntrans58.5-117.1171.400000113.5D183 N187D183-G185 PolarHBondContact O-N 3.03Å; D183-G185 VanDerWaalsContact O-N 3.16Å; D183-G185 PolarHBondContact OD1-N 3.35Å; D183-G185 VanDerWaalsContact OD1-N 3.14Å; G185-N187 VanDerWaalsContact C-N 3.32Å
186S83.9Confident91.9Very high129 Ų12961.7 Ų61.790%0.90235%0.353SS*.THydrogen-bonded Turntrans-81-7.1-179.658.70000114.4C184C184-S186 PolarHBondContact O-N 2.84Å
187N87.1Confident92Very high37 Ų3756.3 Ų56.320%0.19832%0.322CS..  trans-71130.4175.6-166.9-63.3000109.5C184 G185 T189C184-N187 HydrophobicContact CB-CB 4.04Å; C184-N187 WeakPolarHBondContact O-CB 3.28Å; C184-N187 PolarHBondContact O-N 2.96Å; G185-N187 VanDerWaalsContact C-N 3.32Å; N187-T189 PolarHBondContact O-N 3.18Å; N187-T189 VanDerWaalsContact O-N 3.11Å; N187-T189 WeakPolarHBondContact OD1-CB 3.44Å; N187-T189 PolarHBondContact OD1-N 3.45Å; N187-T189 PolarHBondContact OD1-OG1 3.18Å
188P90.4Very high91.8Very high100 Ų10056 Ų5665%0.64932%0.315SS*.SBendtrans-71.9-2.5-177.530.1-37.2000114.3I151I151-P188 HydrophobicContact CG2-CG 4.15Å
189T93.2Very high91.7Very high4 Ų459.9 Ų59.93%0.02532%0.315CS..  trans-80.8120.6-179.9-44.80000111.2T149 I151 H170 N187 C191T149-T189 WeakPolarHBondContact O-CG2 3.32Å; I151-T189 HydrophobicContact CB-CG2 4.34Å; I151-T189 PolarHBondContact N-OG1 3.08Å; H170-T189 PolarHBondContact CE1-O 3.01Å; H170-T189 PolarHBondContact ND1-O 2.96Å; N187-T189 PolarHBondContact O-N 3.18Å; N187-T189 VanDerWaalsContact O-N 3.11Å; N187-T189 WeakPolarHBondContact OD1-CB 3.44Å; N187-T189 PolarHBondContact OD1-N 3.45Å; N187-T189 PolarHBondContact OD1-OG1 3.18Å; T189-C191 WeakPolarHBondContact CG2-O 3.48Å
190D94.4Very high91.8Very high86 Ų8655.7 Ų55.746%0.4630%0.304SS..  trans-113.3-1.1-174.865-10.8000114M169 H170M169-D190 CarbonylContact C-O 3.59Å; M169-D190 WeakPolarHBondContact CA-O 3.25Å; M169-D190 HydrophobicContact CE-CB 4.19Å; M169-D190 WeakPolarHBondContact CE-OD2 3.49Å; H170-D190 PolarHBondContact N-O 3.31Å
191C95.5Very high91.7Very high3 Ų354.4 Ų54.42%0.0230%0.3CS..EExtended strand (participates in β ladder)trans-154.3155-176.359.30000113.5Q154 T167 L168 M169 T189 K193Q154-C191 PolarHBondContact NE2-O 3.21Å; T167-C191 HydrophobicContact CG2-CB 3.59Å; L168-C191 CarbonylContact O-C 3.58Å; L168-C191 WeakPolarHBondContact O-CA 3.46Å; L168-C191 VanDerWaalsContact O-CB 3.28Å; L168-C191 WeakPolarHBondContact O-CB 3.34Å; M169-C191 HydrophobicContact CE-CB 4.3Å; M169-C191 HydrophobicContact SD-CB 3.81Å; T189-C191 WeakPolarHBondContact CG2-O 3.48Å; C191-K193 VanDerWaalsContact SG-CE 3.54Å
192A95.7Very high91.7Very high14 Ų1453.8 Ų53.812%0.11630%0.298CS..EExtended strand (participates in β ladder)trans-97.3137.6162.500000109.6I147 T149 L168I147-A192 HydrophobicContact CG2-CB 4.13Å; T149-A192 HydrophobicContact CG2-CB 3.99Å; L168-A192 PolarHBondContact N-O 3.29Å; L168-A192 PolarHBondContact O-N 3.33Å
193K95.7Very high91.7Very high48 Ų4855 Ų5521%0.20931%0.307CS..EExtended strand (participates in β ladder)trans-120123.2-179.2-68.5-177.7-178.4152.20111.5I147 A148 Q154 T164 Y166 T167 C191 M195I147-K193 CarbonylContact C-O 3.54Å; I147-K193 WeakPolarHBondContact CA-O 3.23Å; A148-K193 PolarHBondContact N-O 3.38Å; A148-K193 PolarHBondContact O-N 2.63Å; Q154-K193 HydrophobicContact CG-CB 4.4Å; Q154-K193 HydrophobicContact CG-CD 4.07Å; Q154-K193 HydrophobicContact CG-CG 4.44Å; T164-K193 HydrophobicContact CG2-CB 4.05Å; T164-K193 HydrophobicContact CG2-CD 4.01Å; T164-K193 HydrophobicContact CG2-CG 4.03Å; Y166-K193 CarbonylContact O-C 3.51Å; Y166-K193 WeakPolarHBondContact O-CA 3.45Å; T167-K193 HydrophobicContact CG2-CG 4.2Å; C191-K193 VanDerWaalsContact SG-CE 3.54Å; K193-M195 HydrophobicContact CB-CG 3.76Å; K193-M195 HydrophobicContact CB-SD 4.22Å; K193-M195 PolarHBondContact O-N 2.86Å
194L95.2Very high91.9Very high28 Ų2851.8 Ų51.815%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-74112.3162.1176.961.9000107.8F97 T146 I147 L165 Y166F97-L194 HydrophobicContact CD2-CD2 4.27Å; F97-L194 HydrophobicContact CE2-CD1 4.29Å; F97-L194 HydrophobicContact CE2-CD2 4.3Å; T146-L194 WeakPolarHBondContact O-CA 3.49Å; I147-L194 HydrophobicContact CG1-CD1 4.13Å; L165-L194 HydrophobicContact CB-CD2 4.45Å; L165-L194 PolarHBondContact N-O 3.4Å; Y166-L194 PolarHBondContact N-O 3.04Å; Y166-L194 PolarHBondContact O-N 3.28Å
195M96.6Very high92.3Very high0 Ų054.1 Ų54.10%030%0.303CS..EExtended strand (participates in β ladder)trans-118.1137.8-177.4-56.8-172.873.300110.3S145 T146 A148 Q154 F157 S158 F162 E163 K193S145-M195 CarbonylContact C-O 3.5Å; S145-M195 VanDerWaalsContact CA-O 3.3Å; S145-M195 WeakPolarHBondContact CA-O 3.44Å; T146-M195 HydrophobicContact CG2-CB 3.92Å; T146-M195 PolarHBondContact N-O 2.81Å; T146-M195 PolarHBondContact O-N 2.79Å; A148-M195 HydrophobicContact CB-SD 4.03Å; Q154-M195 HydrophobicContact CB-SD 4.29Å; Q154-M195 HydrophobicContact CG-SD 4.36Å; F157-M195 HydrophobicContact CB-CE 3.79Å; F157-M195 HydrophobicContact CB-SD 3.85Å; F157-M195 HydrophobicContact CD2-SD 4.48Å; S158-M195 WeakPolarHBondContact OG-CE 3.4Å; F162-M195 HydrophobicContact CB-CB 4.12Å; F162-M195 HydrophobicContact CB-CE 4.1Å; F162-M195 HydrophobicContact CD1-CB 4.26Å; E163-M195 CarbonylContact O-C 3.43Å; E163-M195 WeakPolarHBondContact O-CA 3.22Å; K193-M195 HydrophobicContact CB-CG 3.76Å; K193-M195 HydrophobicContact CB-SD 4.22Å; K193-M195 PolarHBondContact O-N 2.86Å
196V95.1Very high92.9Very high5 Ų553.6 Ų53.63%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-132.6137.3-176.3176.50000110.6F97 F143 A144 F162 E163 L165 R198F97-V196 HydrophobicContact CE2-CG2 4.34Å; F97-V196 HydrophobicContact CZ-CG2 4.41Å; F143-V196 HydrophobicContact CB-CG1 4.19Å; F143-V196 HydrophobicContact CD2-CG1 3.89Å; F143-V196 HydrophobicContact CG-CG1 4.23Å; A144-V196 CarbonylContact O-C 3.54Å; A144-V196 WeakPolarHBondContact O-CA 3.5Å; F162-V196 CarbonylContact C-O 3.3Å; F162-V196 WeakPolarHBondContact CA-O 3.24Å; E163-V196 PolarHBondContact N-O 2.76Å; E163-V196 PolarHBondContact O-N 2.73Å; L165-V196 HydrophobicContact CD1-CB 3.83Å; L165-V196 HydrophobicContact CD1-CG2 3.37Å; L165-V196 HydrophobicContact CG-CB 4.16Å; L165-V196 HydrophobicContact CG-CG2 3.98Å; V196-R198 HydrophobicContact CG1-CG 4.41Å
197K95.6Very high93.6Very high43 Ų4347.8 Ų47.819%0.18723%0.231CC..EExtended strand (participates in β ladder)trans-119.4118.7170.8179.9172.5-174.770.70110.1I133 F143 A144 L160 G161 F162I133-K197 HydrophobicContact CD1-CD 3.79Å; I133-K197 HydrophobicContact CG1-CD 4.37Å; F143-K197 WeakPolarHBondContact CA-O 3.42Å; F143-K197 VanDerWaalsContact CB-O 3.32Å; F143-K197 WeakPolarHBondContact CB-O 3.41Å; A144-K197 PolarHBondContact N-O 3.08Å; A144-K197 PolarHBondContact O-N 3.21Å; L160-K197 WeakPolarHBondContact O-CD 3.3Å; L160-K197 VanDerWaalsContact O-CE 3.3Å; L160-K197 WeakPolarHBondContact O-CE 3.44Å; L160-K197 PolarHBondContact O-NZ 3.18Å; G161-K197 PolarHBondContact O-NZ 3.08Å; F162-K197 HydrophobicContact CB-CB 4.39Å; F162-K197 HydrophobicContact CD1-CB 3.6Å; F162-K197 HydrophobicContact CD2-CB 3.62Å; F162-K197 HydrophobicContact CD2-CD 3.85Å; F162-K197 HydrophobicContact CD2-CG 4.29Å; F162-K197 HydrophobicContact CE1-CB 3.59Å; F162-K197 HydrophobicContact CE2-CB 3.61Å; F162-K197 HydrophobicContact CE2-CD 3.59Å; F162-K197 HydrophobicContact CE2-CG 4.23Å; F162-K197 HydrophobicContact CG-CB 3.6Å; F162-K197 HydrophobicContact CZ-CB 3.6Å; F162-K197 HydrophobicContact CZ-CD 4.2Å
198R90.5Very high94.1Very high124 Ų12448.7 Ų48.747%0.46823%0.233SC..EExtended strand (participates in β ladder)trans-91.6165.3169.1-56.9176.6-170.7-95.17.1109.8F143 V196F143-R198 HydrophobicContact CB-CG 4.26Å; V196-R198 HydrophobicContact CG1-CG 4.41Å
199W91.5Very high94.5Very high129 Ų12944 Ų4449%0.48920%0.195SC..  trans-133.70175.147.781.3000113.1A136 K137 C141 F143 A144A136-W199 HydrophobicContact CB-CH2 3.64Å; A136-W199 HydrophobicContact CB-CZ2 4.41Å; A136-W199 HydrophobicContact CB-CZ3 4.25Å; K137-W199 HydrophobicContact CD-CB 4.33Å; K137-W199 HydrophobicContact CD-CG 4.34Å; K137-W199 HydrophobicContact CG-CB 4.41Å; K137-W199 HydrophobicContact CG-CD2 3.73Å; K137-W199 HydrophobicContact CG-CE3 4.11Å; K137-W199 HydrophobicContact CG-CG 3.91Å; K137-W199 HydrophobicContact CG-CZ2 4.12Å; C141-W199 HydrophobicContact CB-CH2 3.59Å; C141-W199 HydrophobicContact CB-CZ2 3.51Å; C141-W199 WeakPolarHBondContact O-CZ2 3.42Å; C141-W199 PolarHBondContact O-NE1 2.85Å; C141-W199 VanDerWaalsContact O-NE1 3.08Å; F143-W199 VanDerWaalsContact O-CH2 3.3Å; F143-W199 WeakPolarHBondContact O-CH2 3.3Å; A144-W199 HydrophobicContact CB-CZ3 4.17Å; A144-W199 VanDerWaalsContact N-CZ3 3.34Å

Retrieved 199 of 199 residues in 42.1 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).