C1M053_SCHMA Loading...

Tegumental allergen-like protein

AlphaFold DB , UniProt , Accession C1M053, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 176 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
1M54.2Low78.3Confident151 Ų15157.6 Ų57.674%0.74432%0.321SS*.  0-37.10-77.8-169.9-81.600112.2P3 F4 V64M1-P3 VanDerWaalsContact C-N 3.32Å; M1-F4 PolarHBondContact O-N 3.39Å; M1-V64 HydrophobicContact CB-CG1 4.45Å; M1-V64 HydrophobicContact SD-CG1 3.72Å
2E59.8Low78.9Confident136 Ų13653.1 Ų53.164%0.63630%0.296SS*.Hα-helixtrans-49-36.3173.8-64.9-172.2151.500116.5F4 I5 T6E2-F4 VanDerWaalsContact C-N 3.3Å; E2-F4 PolarHBondContact O-N 2.98Å; E2-I5 PolarHBondContact O-N 2.95Å; E2-I5 VanDerWaalsContact O-N 3.16Å; E2-T6 PolarHBondContact O-N 3.04Å; E2-T6 PolarHBondContact O-OG1 3.34Å
3P77Confident78.5Confident82 Ų8256 Ų5653%0.53230%0.303SS..Hα-helixtrans-57.4-40.1-177.7-2835.8000113.7M1 I5 T6 T7M1-P3 VanDerWaalsContact C-N 3.32Å; P3-I5 PolarHBondContact O-N 3.22Å; P3-T6 VanDerWaalsContact C-OG1 3.31Å; P3-T6 WeakPolarHBondContact CA-OG1 3.42Å; P3-T6 PolarHBondContact O-N 3.35Å; P3-T6 PolarHBondContact O-OG1 3.47Å; P3-T7 WeakPolarHBondContact O-CB 3.24Å; P3-T7 PolarHBondContact O-N 3.41Å; P3-T7 PolarHBondContact O-OG1 3.41Å
4F81.3Confident77.9Confident100 Ų10062.6 Ų62.644%0.43932%0.322SS..Hα-helixtrans-69.1-36.9-178.4-71.1-74.4000112.4M1 E2 T7 F8 W41 F58 L62M1-F4 PolarHBondContact O-N 3.39Å; E2-F4 VanDerWaalsContact C-N 3.3Å; E2-F4 PolarHBondContact O-N 2.98Å; F4-T7 WeakPolarHBondContact O-CB 3.41Å; F4-T7 PolarHBondContact O-N 3.16Å; F4-F8 PolarHBondContact O-N 3.36Å; F4-W41 HydrophobicContact CD1-CZ2 4.34Å; F4-F58 HydrophobicContact CB-CE1 4.09Å; F4-F58 HydrophobicContact CB-CZ 3.86Å; F4-F58 WeakPolarHBondContact O-CE1 3.41Å; F4-F58 VanDerWaalsContact O-CZ 3.29Å; F4-F58 WeakPolarHBondContact O-CZ 3.41Å; F4-L62 HydrophobicContact CB-CD1 3.7Å; F4-L62 HydrophobicContact CG-CD1 4.44Å; F4-L62 HydrophobicContact CG-CD2 4.5Å
5I79.8Confident77.5Confident0 Ų059.9 Ų59.90%032%0.315CS..Hα-helixtrans-70.7-41.4179-60.3177.1000109.6E2 P3 T7 F8 G9 F55 V64 H69 I72 I73E2-I5 PolarHBondContact O-N 2.95Å; E2-I5 VanDerWaalsContact O-N 3.16Å; P3-I5 PolarHBondContact O-N 3.22Å; I5-T7 VanDerWaalsContact C-N 3.3Å; I5-T7 PolarHBondContact O-N 2.94Å; I5-F8 PolarHBondContact O-N 2.99Å; I5-G9 PolarHBondContact O-N 2.92Å; I5-F55 HydrophobicContact CG2-CE2 4.29Å; I5-F55 HydrophobicContact CG2-CZ 4.45Å; I5-V64 HydrophobicContact CD1-CG2 3.97Å; I5-H69 HydrophobicContact CD1-CB 3.88Å; I5-H69 WeakPolarHBondContact CD1-CD2 3.22Å; I5-H69 VanDerWaalsContact CD1-CG 3.41Å; I5-H69 HydrophobicContact CG2-CB 3.95Å; I5-I72 HydrophobicContact CG2-CB 4.37Å; I5-I72 HydrophobicContact CG2-CG2 4.35Å; I5-I73 HydrophobicContact CG2-CD1 3.78Å; I5-I73 HydrophobicContact CG2-CG1 4.2Å
6T79.8Confident77.4Confident74 Ų7461.1 Ų61.145%0.45433%0.326SS..Hα-helixtrans-63.4-37.2172.253.30000111.8E2 P3 G9 A10 I72E2-T6 PolarHBondContact O-N 3.04Å; E2-T6 PolarHBondContact O-OG1 3.34Å; P3-T6 VanDerWaalsContact C-OG1 3.31Å; P3-T6 WeakPolarHBondContact CA-OG1 3.42Å; P3-T6 PolarHBondContact O-N 3.35Å; P3-T6 PolarHBondContact O-OG1 3.47Å; T6-G9 PolarHBondContact O-N 3.22Å; T6-A10 WeakPolarHBondContact O-CB 3.46Å; T6-A10 PolarHBondContact O-N 3.37Å; T6-I72 HydrophobicContact CG2-CG2 4.11Å
7T86Confident77.6Confident26 Ų2659.3 Ų59.316%0.1632%0.316CS..Hα-helixtrans-63.3-45173.4-59.40000111.2P3 F4 I5 G9 A10 I11 Y27 M37 W41P3-T7 WeakPolarHBondContact O-CB 3.24Å; P3-T7 PolarHBondContact O-N 3.41Å; P3-T7 PolarHBondContact O-OG1 3.41Å; F4-T7 WeakPolarHBondContact O-CB 3.41Å; F4-T7 PolarHBondContact O-N 3.16Å; I5-T7 VanDerWaalsContact C-N 3.3Å; I5-T7 PolarHBondContact O-N 2.94Å; T7-G9 VanDerWaalsContact C-N 3.32Å; T7-G9 PolarHBondContact O-N 2.95Å; T7-A10 PolarHBondContact O-N 3.24Å; T7-A10 VanDerWaalsContact O-N 3.16Å; T7-I11 HydrophobicContact CG2-CD1 3.78Å; T7-I11 HydrophobicContact CG2-CG1 4.43Å; T7-I11 WeakPolarHBondContact O-CD1 3.1Å; T7-I11 VanDerWaalsContact O-CG1 3.25Å; T7-I11 WeakPolarHBondContact O-CG1 3.35Å; T7-I11 PolarHBondContact O-N 3.34Å; T7-Y27 HydrophobicContact CG2-CE1 3.71Å; T7-M37 HydrophobicContact CG2-CE 3.88Å; T7-W41 HydrophobicContact CG2-CH2 3.76Å; T7-W41 HydrophobicContact CG2-CZ2 3.94Å
8F88.2Confident78.2Confident0 Ų058.3 Ų58.30%031%0.313CS..Hα-helixtrans-57.2-47.5175.5-171.7-76.4000110.9F4 I5 A10 I11 D12 I19 I53 F55 F58 I73F4-F8 PolarHBondContact O-N 3.36Å; I5-F8 PolarHBondContact O-N 2.99Å; F8-A10 VanDerWaalsContact C-N 3.29Å; F8-A10 PolarHBondContact O-N 3.03Å; F8-I11 PolarHBondContact O-N 3.13Å; F8-I11 VanDerWaalsContact O-N 3.14Å; F8-D12 HydrophobicContact CD1-CB 4.18Å; F8-D12 HydrophobicContact CE1-CB 3.88Å; F8-D12 WeakPolarHBondContact O-CB 3.42Å; F8-D12 PolarHBondContact O-N 3.21Å; F8-I19 HydrophobicContact CD1-CG2 4.49Å; F8-I19 HydrophobicContact CD2-CD1 3.92Å; F8-I19 HydrophobicContact CD2-CG1 4.39Å; F8-I19 HydrophobicContact CD2-CG2 4.48Å; F8-I19 HydrophobicContact CE1-CG2 4.08Å; F8-I19 HydrophobicContact CE2-CD1 3.87Å; F8-I19 HydrophobicContact CE2-CG1 3.83Å; F8-I19 HydrophobicContact CE2-CG2 4.07Å; F8-I19 HydrophobicContact CZ-CG1 4.29Å; F8-I19 HydrophobicContact CZ-CG2 3.86Å; F8-I53 HydrophobicContact CE2-CG2 4.15Å; F8-F55 HydrophobicContact CD1-CB 4.41Å; F8-F55 AromaticContact CD1-CD2 3.85Å; F8-F55 HydrophobicContact CD1-CD2 3.85Å; F8-F55 HydrophobicContact CD1-CG 4.45Å; F8-F55 HydrophobicContact CD2-CD2 4.45Å; F8-F55 HydrophobicContact CE1-CB 3.7Å; F8-F55 HydrophobicContact CE1-CD2 4.01Å; F8-F55 HydrophobicContact CE1-CG 4.19Å; F8-F55 HydrophobicContact CE2-CB 4.38Å; F8-F55 HydrophobicContact CG-CD2 4.1Å; F8-F55 HydrophobicContact CZ-CB 3.68Å; F8-F55 HydrophobicContact CZ-CD2 4.37Å; F8-F55 HydrophobicContact CZ-CG 4.5Å; F8-F58 HydrophobicContact CB-CD1 4.14Å; F8-F58 HydrophobicContact CB-CE1 3.82Å; F8-F58 HydrophobicContact CB-CZ 4.12Å; F8-F58 HydrophobicContact CD2-CB 4.03Å; F8-F58 AromaticContact CD2-CD1 3.89Å; F8-F58 HydrophobicContact CD2-CD1 3.89Å; F8-F58 AromaticContact CD2-CD2 3.86Å; F8-F58 HydrophobicContact CD2-CD2 3.86Å; F8-F58 HydrophobicContact CD2-CE1 4.26Å; F8-F58 HydrophobicContact CD2-CE2 4.24Å; F8-F58 AromaticContact CD2-CG 3.66Å; F8-F58 HydrophobicContact CD2-CG 3.66Å; F8-F58 HydrophobicContact CD2-CZ 4.41Å; F8-F58 HydrophobicContact CE2-CB 4.11Å; F8-F58 HydrophobicContact CE2-CD2 4.49Å; F8-F58 HydrophobicContact CE2-CG 4.23Å; F8-F58 HydrophobicContact CG-CD1 4.26Å; F8-F58 HydrophobicContact CG-CE1 4.41Å; F8-F58 HydrophobicContact CG-CG 4.47Å; F8-I73 HydrophobicContact CB-CD1 4.19Å; F8-I73 HydrophobicContact CD1-CD1 3.65Å; F8-I73 HydrophobicContact CD1-CG1 4.22Å; F8-I73 HydrophobicContact CD1-CG2 4.02Å; F8-I73 HydrophobicContact CE1-CD1 4.47Å; F8-I73 HydrophobicContact CE1-CG2 4.24Å; F8-I73 HydrophobicContact CG-CD1 4.21Å
9G82.6Confident78.8Confident20 Ų2055.3 Ų55.321%0.20630%0.296CS..Hα-helixtrans-63.4-32.7177.500000113.8I5 T6 T7 I11I5-G9 PolarHBondContact O-N 2.92Å; T6-G9 PolarHBondContact O-N 3.22Å; T7-G9 VanDerWaalsContact C-N 3.32Å; T7-G9 PolarHBondContact O-N 2.95Å; G9-I11 VanDerWaalsContact C-N 3.35Å
10A84.8Confident79.5Confident42 Ų4254.4 Ų54.435%0.34729%0.293SS..Hα-helixtrans-71.7-29175.100000113T6 T7 F8 Y27T6-A10 WeakPolarHBondContact O-CB 3.46Å; T6-A10 PolarHBondContact O-N 3.37Å; T7-A10 PolarHBondContact O-N 3.24Å; T7-A10 VanDerWaalsContact O-N 3.16Å; F8-A10 VanDerWaalsContact C-N 3.29Å; F8-A10 PolarHBondContact O-N 3.03Å; A10-Y27 HydrophobicContact CB-CD2 4.46Å; A10-Y27 HydrophobicContact CB-CE2 3.64Å
11I88Confident80.1Confident3 Ų352.1 Ų52.12%0.01528%0.281CS..Hα-helixtrans-82-43.8176.2-59.7159.2000110.8T7 F8 G9 K13 I19 E23 L24 Y27 W41T7-I11 HydrophobicContact CG2-CD1 3.78Å; T7-I11 HydrophobicContact CG2-CG1 4.43Å; T7-I11 WeakPolarHBondContact O-CD1 3.1Å; T7-I11 VanDerWaalsContact O-CG1 3.25Å; T7-I11 WeakPolarHBondContact O-CG1 3.35Å; T7-I11 PolarHBondContact O-N 3.34Å; F8-I11 PolarHBondContact O-N 3.13Å; F8-I11 VanDerWaalsContact O-N 3.14Å; G9-I11 VanDerWaalsContact C-N 3.35Å; I11-K13 PolarHBondContact O-N 3.41Å; I11-I19 HydrophobicContact CB-CD1 4.48Å; I11-I19 HydrophobicContact CB-CG2 3.97Å; I11-I19 HydrophobicContact CD1-CD1 4.18Å; I11-I19 HydrophobicContact CG2-CB 3.85Å; I11-I19 HydrophobicContact CG2-CD1 4.11Å; I11-I19 HydrophobicContact CG2-CG2 3.65Å; I11-E23 HydrophobicContact CG2-CB 3.88Å; I11-L24 HydrophobicContact CD1-CD1 3.7Å; I11-Y27 HydrophobicContact CD1-CD1 4Å; I11-Y27 HydrophobicContact CD1-CE1 4.42Å; I11-Y27 HydrophobicContact CD1-CG 4.27Å; I11-Y27 HydrophobicContact CG1-CD1 3.61Å; I11-Y27 HydrophobicContact CG1-CD2 3.77Å; I11-Y27 HydrophobicContact CG1-CE1 4.15Å; I11-Y27 HydrophobicContact CG1-CE2 4.3Å; I11-Y27 HydrophobicContact CG1-CG 3.4Å; I11-W41 HydrophobicContact CD1-CH2 3.84Å; I11-W41 HydrophobicContact CD1-CZ3 3.72Å
12D85.2Confident81.9Confident3 Ų349.6 Ų49.62%0.01627%0.27CS..  trans-75.862.2176.7-170.79.3000111.3F8 R14 G15 V16 N17 I19F8-D12 HydrophobicContact CD1-CB 4.18Å; F8-D12 HydrophobicContact CE1-CB 3.88Å; F8-D12 WeakPolarHBondContact O-CB 3.42Å; F8-D12 PolarHBondContact O-N 3.21Å; D12-R14 PolarHBondContact O-N 3Å; D12-G15 PolarHBondContact O-N 3.26Å; D12-G15 PolarHBondContact OD1-N 2.98Å; D12-V16 PolarHBondContact OD1-N 3.49Å; D12-V16 PolarHBondContact OD2-N 3.45Å; D12-V16 VanDerWaalsContact OD2-N 3.11Å; D12-N17 WeakPolarHBondContact OD2-CA 3.33Å; D12-N17 PolarHBondContact OD2-N 3.23Å; D12-I19 HydrophobicContact CB-CG2 3.58Å
13K74.5Confident83.4Confident91 Ų9144.8 Ų44.840%0.39625%0.248SC..THydrogen-bonded Turntrans-52.1-27176.6-70.4-175.9-174.2176.30111.8I11 E30 L77I11-K13 PolarHBondContact O-N 3.41Å; K13-E30 IonicContact NZ-OE1 3.81Å; K13-E30 PolarHBondContact NZ-OE1 3.03Å; K13-E30 IonicContact NZ-OE2 3.24Å; K13-E30 PolarHBondContact NZ-OE2 3.46Å; K13-L77 HydrophobicContact CB-CD1 3.47Å; K13-L77 VanDerWaalsContact CB-CD1 3.47Å; K13-L77 HydrophobicContact CG-CD1 3.98Å; K13-L77 WeakPolarHBondContact O-CD1 3.46Å; K13-L77 WeakPolarHBondContact O-CG 3.24Å
14R70.1Confident84.2Confident148 Ų14840.9 Ų40.956%0.55822%0.222SC*.THydrogen-bonded Turntrans-85-16.9-179-64.3-179.1-711592.7113.4D12 V16 E23D12-R14 PolarHBondContact O-N 3Å; R14-V16 VanDerWaalsContact C-N 3.26Å; R14-V16 HydrophobicContact CB-CG1 4.03Å; R14-V16 HydrophobicContact CB-CG2 4.13Å; R14-V16 PolarHBondContact O-N 3.45Å; R14-E23 IonicContact CZ-OE1 3.59Å; R14-E23 IonicContact NE-OE1 3.61Å; R14-E23 PolarHBondContact NE-OE1 3.34Å; R14-E23 IonicContact NH2-OE1 3.86Å; R14-E23 PolarHBondContact NH2-OE1 3.21Å; R14-E23 IonicContact NH2-OE2 2.78Å; R14-E23 PolarHBondContact NH2-OE2 2.88Å
15G70.8Confident84.8Confident22 Ų2241.4 Ų41.423%0.22722%0.221CC..  trans62.931.6-176.600000113.2D12D12-G15 PolarHBondContact O-N 3.26Å; D12-G15 PolarHBondContact OD1-N 2.98Å
16V77Confident85.4Confident79 Ų7945.8 Ų45.848%0.47925%0.245SC..SBendtrans-93.44-178.6-65.70000112.9D12 R14 V18D12-V16 PolarHBondContact OD1-N 3.49Å; D12-V16 PolarHBondContact OD2-N 3.45Å; D12-V16 VanDerWaalsContact OD2-N 3.11Å; R14-V16 VanDerWaalsContact C-N 3.26Å; R14-V16 HydrophobicContact CB-CG1 4.03Å; R14-V16 HydrophobicContact CB-CG2 4.13Å; R14-V16 PolarHBondContact O-N 3.45Å; V16-V18 HydrophobicContact CG2-CB 4.35Å; V16-V18 PolarHBondContact O-N 3.11Å
17N81Confident86Confident31 Ų3143.9 Ų43.917%0.16623%0.23CC..SBendtrans61.526.6-176.5-65.2-55.4000114.1D12 T54 F55 Q70 N74D12-N17 WeakPolarHBondContact OD2-CA 3.33Å; D12-N17 PolarHBondContact OD2-N 3.23Å; N17-T54 WeakPolarHBondContact O-CA 3.28Å; N17-F55 HydrophobicContact CB-CB 3.82Å; N17-F55 PolarHBondContact O-N 2.94Å; N17-Q70 VanDerWaalsContact CG-NE2 3.29Å; N17-Q70 PolarHBondContact ND2-NE2 3.01Å; N17-Q70 PolarHBondContact OD1-NE2 3.37Å; N17-Q70 PolarHBondContact OD1-OE1 2.92Å; N17-N74 PolarHBondContact ND2-OD1 2.9Å
18V86.8Confident86.4Confident42 Ų4242.9 Ų42.926%0.25522%0.223SC..EExtended strand (participates in β ladder)trans-145.8121.3179-175.90000108.6V16 K52 I53 T54V16-V18 HydrophobicContact CG2-CB 4.35Å; V16-V18 PolarHBondContact O-N 3.11Å; V18-K52 HydrophobicContact CG1-CB 3.98Å; V18-K52 HydrophobicContact CG1-CD 4.27Å; V18-K52 HydrophobicContact CG1-CG 4.29Å; V18-I53 WeakPolarHBondContact CA-O 3.38Å; V18-T54 HydrophobicContact CG2-CG2 4.3Å
19I90.4Very high86.6Confident0 Ų046.1 Ų46.10%025%0.25CS..EExtended strand (participates in β ladder)trans-103.9139.316965.2178.3000109.5F8 I11 D12 W41 K52 I53F8-I19 HydrophobicContact CD1-CG2 4.49Å; F8-I19 HydrophobicContact CD2-CD1 3.92Å; F8-I19 HydrophobicContact CD2-CG1 4.39Å; F8-I19 HydrophobicContact CD2-CG2 4.48Å; F8-I19 HydrophobicContact CE1-CG2 4.08Å; F8-I19 HydrophobicContact CE2-CD1 3.87Å; F8-I19 HydrophobicContact CE2-CG1 3.83Å; F8-I19 HydrophobicContact CE2-CG2 4.07Å; F8-I19 HydrophobicContact CZ-CG1 4.29Å; F8-I19 HydrophobicContact CZ-CG2 3.86Å; I11-I19 HydrophobicContact CB-CD1 4.48Å; I11-I19 HydrophobicContact CB-CG2 3.97Å; I11-I19 HydrophobicContact CD1-CD1 4.18Å; I11-I19 HydrophobicContact CG2-CB 3.85Å; I11-I19 HydrophobicContact CG2-CD1 4.11Å; I11-I19 HydrophobicContact CG2-CG2 3.65Å; D12-I19 HydrophobicContact CB-CG2 3.58Å; I19-W41 HydrophobicContact CD1-CE3 4.03Å; I19-W41 HydrophobicContact CD1-CZ3 3.68Å; I19-K52 WeakPolarHBondContact O-CA 3.49Å; I19-I53 HydrophobicContact CD1-CB 4.15Å; I19-I53 HydrophobicContact CD1-CD1 4.22Å; I19-I53 HydrophobicContact CD1-CG2 4.42Å; I19-I53 HydrophobicContact CG1-CB 3.67Å; I19-I53 HydrophobicContact CG1-CD1 4.42Å; I19-I53 HydrophobicContact CG1-CG2 4.3Å; I19-I53 PolarHBondContact N-O 3.02Å; I19-I53 PolarHBondContact O-N 3.49Å
20T92.9Very high87Confident38 Ų3850.3 Ų50.323%0.23326%0.264CS..EExtended strand (participates in β ladder)trans-88156.5170.560.90000110N22 E23 L24T20-N22 PolarHBondContact O-N 3Å; T20-E23 WeakPolarHBondContact CB-OE2 3.29Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.4Å; T20-E23 PolarHBondContact N-OE2 3.24Å; T20-E23 PolarHBondContact O-N 3.44Å; T20-E23 VanDerWaalsContact OG1-CG 3.32Å; T20-E23 WeakPolarHBondContact OG1-CG 3.39Å; T20-E23 PolarHBondContact OG1-N 3.16Å; T20-E23 VanDerWaalsContact OG1-N 3.12Å; T20-E23 PolarHBondContact OG1-OE2 2.98Å; T20-L24 PolarHBondContact O-N 3.31Å
21I92.2Very high87.3Confident7 Ų752 Ų524%0.03627%0.267CS..Hα-helixtrans-61-28.7174.5-56.7-49.2000111.6L24 R25 I38 Q42 G51 I53I21-L24 PolarHBondContact O-N 3.45Å; I21-R25 WeakPolarHBondContact O-CB 3.44Å; I21-R25 VanDerWaalsContact O-CG 3.27Å; I21-R25 WeakPolarHBondContact O-CG 3.4Å; I21-R25 PolarHBondContact O-N 2.87Å; I21-I38 HydrophobicContact CG2-CG2 4.08Å; I21-Q42 HydrophobicContact CD1-CG 3.55Å; I21-Q42 HydrophobicContact CG1-CG 4.09Å; I21-Q42 HydrophobicContact CG2-CG 4.32Å; I21-G51 PolarHBondContact N-O 3.28Å; I21-I53 HydrophobicContact CD1-CD1 3.93Å; I21-I53 HydrophobicContact CD1-CG1 4.2Å
22N92.3Very high87.5Confident98 Ų9860.1 Ų60.152%0.52431%0.305SS..Hα-helixtrans-68.9-40.8173.4-72.6-14.3000112.3T20 L24 R25 N26T20-N22 PolarHBondContact O-N 3Å; N22-L24 VanDerWaalsContact C-N 3.32Å; N22-L24 PolarHBondContact O-N 2.95Å; N22-R25 PolarHBondContact O-N 2.88Å; N22-R25 PolarHBondContact OD1-NH1 3.46Å; N22-N26 WeakPolarHBondContact O-CB 3.32Å; N22-N26 PolarHBondContact O-N 2.73Å; N22-N26 PolarHBondContact O-OD1 3.26Å
23E90.8Very high87.8Confident34 Ų3463.2 Ų63.216%0.15932%0.321CS..Hα-helixtrans-61.5-41.8172.8-76.2159.9142.900111.3I11 R14 T20 N26 Y27I11-E23 HydrophobicContact CG2-CB 3.88Å; R14-E23 IonicContact CZ-OE1 3.59Å; R14-E23 IonicContact NE-OE1 3.61Å; R14-E23 PolarHBondContact NE-OE1 3.34Å; R14-E23 IonicContact NH2-OE1 3.86Å; R14-E23 PolarHBondContact NH2-OE1 3.21Å; R14-E23 IonicContact NH2-OE2 2.78Å; R14-E23 PolarHBondContact NH2-OE2 2.88Å; T20-E23 WeakPolarHBondContact CB-OE2 3.29Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.4Å; T20-E23 PolarHBondContact N-OE2 3.24Å; T20-E23 PolarHBondContact O-N 3.44Å; T20-E23 VanDerWaalsContact OG1-CG 3.32Å; T20-E23 WeakPolarHBondContact OG1-CG 3.39Å; T20-E23 PolarHBondContact OG1-N 3.16Å; T20-E23 VanDerWaalsContact OG1-N 3.12Å; T20-E23 PolarHBondContact OG1-OE2 2.98Å; E23-N26 PolarHBondContact O-N 3.5Å; E23-Y27 WeakPolarHBondContact O-CB 3.42Å; E23-Y27 PolarHBondContact O-N 3.23Å
24L93.5Very high88.6Confident0 Ų063.9 Ų63.90%033%0.329CS..Hα-helixtrans-61.7-45.4173.9176.463000112I11 T20 I21 N22 N26 Y27 V28 M37 I38 W41 I53I11-L24 HydrophobicContact CD1-CD1 3.7Å; T20-L24 PolarHBondContact O-N 3.31Å; I21-L24 PolarHBondContact O-N 3.45Å; N22-L24 VanDerWaalsContact C-N 3.32Å; N22-L24 PolarHBondContact O-N 2.95Å; L24-N26 VanDerWaalsContact C-N 3.34Å; L24-N26 PolarHBondContact O-N 2.87Å; L24-Y27 PolarHBondContact O-N 3.14Å; L24-V28 HydrophobicContact CD1-CG2 4.18Å; L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 2.97Å; L24-M37 HydrophobicContact CD1-CE 4.28Å; L24-I38 HydrophobicContact CG-CG1 4.39Å; L24-W41 HydrophobicContact CD1-CD2 4.13Å; L24-W41 HydrophobicContact CD1-CE3 3.92Å; L24-W41 HydrophobicContact CD1-CZ3 4.32Å; L24-W41 HydrophobicContact CD2-CB 3.6Å; L24-W41 HydrophobicContact CD2-CD2 4.23Å; L24-W41 HydrophobicContact CD2-CE3 4.12Å; L24-W41 HydrophobicContact CD2-CG 4.05Å; L24-I53 HydrophobicContact CD2-CD1 4.5Å
25R94.1Very high89.6Confident111 Ų11164.6 Ų64.642%0.41934%0.336SS..Hα-helixtrans-58.4-45.2175.9-77.9173.6-174.4133.72111.9I21 N22 V28 A29 I38I21-R25 WeakPolarHBondContact O-CB 3.44Å; I21-R25 VanDerWaalsContact O-CG 3.27Å; I21-R25 WeakPolarHBondContact O-CG 3.4Å; I21-R25 PolarHBondContact O-N 2.87Å; N22-R25 PolarHBondContact O-N 2.88Å; N22-R25 PolarHBondContact OD1-NH1 3.46Å; R25-V28 PolarHBondContact O-N 3.01Å; R25-A29 WeakPolarHBondContact O-CB 3.33Å; R25-A29 PolarHBondContact O-N 3.41Å; R25-I38 HydrophobicContact CB-CD1 4.42Å; R25-I38 HydrophobicContact CG-CD1 3.7Å; R25-I38 HydrophobicContact CG-CG1 4.18Å; R25-I38 HydrophobicContact CG-CG2 4.26Å
26N92.8Very high90.7Very high92 Ų9268.7 Ų68.749%0.49235%0.349SS..Hα-helixtrans-62.6-45.7178.1-68.9-10.4000110.7N22 E23 L24 V28 A29 E30N22-N26 WeakPolarHBondContact O-CB 3.32Å; N22-N26 PolarHBondContact O-N 2.73Å; N22-N26 PolarHBondContact O-OD1 3.26Å; E23-N26 PolarHBondContact O-N 3.5Å; L24-N26 VanDerWaalsContact C-N 3.34Å; L24-N26 PolarHBondContact O-N 2.87Å; N26-V28 PolarHBondContact O-N 3.16Å; N26-A29 PolarHBondContact O-N 3.29Å; N26-E30 VanDerWaalsContact O-CB 3.32Å; N26-E30 WeakPolarHBondContact O-CB 3.29Å; N26-E30 VanDerWaalsContact O-CG 3.26Å; N26-E30 WeakPolarHBondContact O-CG 3.26Å; N26-E30 PolarHBondContact O-N 2.94Å
27Y92.5Very high91.4Very high35 Ų3566.7 Ų66.714%0.13734%0.335CS..Hα-helixtrans-60.9-44177.4179.2-96.2000112.7T7 A10 I11 E23 L24 A29 E30 N31 L33T7-Y27 HydrophobicContact CG2-CE1 3.71Å; A10-Y27 HydrophobicContact CB-CD2 4.46Å; A10-Y27 HydrophobicContact CB-CE2 3.64Å; I11-Y27 HydrophobicContact CD1-CD1 4Å; I11-Y27 HydrophobicContact CD1-CE1 4.42Å; I11-Y27 HydrophobicContact CD1-CG 4.27Å; I11-Y27 HydrophobicContact CG1-CD1 3.61Å; I11-Y27 HydrophobicContact CG1-CD2 3.77Å; I11-Y27 HydrophobicContact CG1-CE1 4.15Å; I11-Y27 HydrophobicContact CG1-CE2 4.3Å; I11-Y27 HydrophobicContact CG1-CG 3.4Å; E23-Y27 WeakPolarHBondContact O-CB 3.42Å; E23-Y27 PolarHBondContact O-N 3.23Å; L24-Y27 PolarHBondContact O-N 3.14Å; Y27-A29 VanDerWaalsContact C-N 3.34Å; Y27-A29 PolarHBondContact O-N 2.89Å; Y27-E30 PolarHBondContact O-N 3.3Å; Y27-N31 VanDerWaalsContact CD2-ND2 3.32Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.43Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.31Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.3Å; Y27-N31 WeakPolarHBondContact O-CB 3.33Å; Y27-N31 PolarHBondContact O-N 3.46Å; Y27-N31 PolarHBondContact O-ND2 2.88Å; Y27-L33 HydrophobicContact CD1-CD1 3.93Å; Y27-L33 HydrophobicContact CE1-CD1 3.49Å; Y27-L33 VanDerWaalsContact CE1-CD1 3.49Å
28V93.2Very high91.9Very high4 Ų466.2 Ų66.22%0.02433%0.333CS..Hα-helixtrans-61.4-43176.6167.10000111L24 R25 N26 H32 L33 M37 I38L24-V28 HydrophobicContact CD1-CG2 4.18Å; L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 2.97Å; R25-V28 PolarHBondContact O-N 3.01Å; N26-V28 PolarHBondContact O-N 3.16Å; V28-H32 PolarHBondContact O-N 3.46Å; V28-L33 HydrophobicContact CB-CB 4.42Å; V28-L33 HydrophobicContact CG1-CB 4.1Å; V28-L33 WeakPolarHBondContact CG1-O 3.44Å; V28-L33 HydrophobicContact CG2-CB 4.44Å; V28-L33 PolarHBondContact O-N 3.45Å; V28-M37 HydrophobicContact CG2-CB 4.23Å; V28-M37 HydrophobicContact CG2-CG 4.33Å; V28-M37 HydrophobicContact CG2-SD 3.88Å; V28-I38 HydrophobicContact CB-CD1 4.47Å; V28-I38 HydrophobicContact CG1-CD1 4.28Å; V28-I38 HydrophobicContact CG2-CG1 4.15Å
29A92.8Very high92.2Very high68 Ų6867.1 Ų67.156%0.56234%0.339SS*.Hα-helixtrans-67.7-46.2177.500000112.7R25 N26 Y27 N31 H32R25-A29 WeakPolarHBondContact O-CB 3.33Å; R25-A29 PolarHBondContact O-N 3.41Å; N26-A29 PolarHBondContact O-N 3.29Å; Y27-A29 VanDerWaalsContact C-N 3.34Å; Y27-A29 PolarHBondContact O-N 2.89Å; A29-N31 VanDerWaalsContact C-N 3.31Å; A29-N31 PolarHBondContact O-N 2.87Å; A29-H32 PolarHBondContact O-N 2.82Å
30E91.7Very high92.3Very high108 Ų10872.9 Ų72.951%0.50536%0.364SS..Hα-helixtrans-62.2-35.5180-76.5173.7-171.100112.4K13 N26 Y27K13-E30 IonicContact NZ-OE1 3.81Å; K13-E30 PolarHBondContact NZ-OE1 3.03Å; K13-E30 IonicContact NZ-OE2 3.24Å; K13-E30 PolarHBondContact NZ-OE2 3.46Å; N26-E30 VanDerWaalsContact O-CB 3.32Å; N26-E30 WeakPolarHBondContact O-CB 3.29Å; N26-E30 VanDerWaalsContact O-CG 3.26Å; N26-E30 WeakPolarHBondContact O-CG 3.26Å; N26-E30 PolarHBondContact O-N 2.94Å; Y27-E30 PolarHBondContact O-N 3.3Å
31N91.8Very high92.3Very high77 Ų7771.6 Ų71.641%0.41236%0.355SS..THydrogen-bonded Turntrans-100.49.8-176.8-66-90.7000113.3Y27 A29 L33Y27-N31 VanDerWaalsContact CD2-ND2 3.32Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.43Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.31Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.3Å; Y27-N31 WeakPolarHBondContact O-CB 3.33Å; Y27-N31 PolarHBondContact O-N 3.46Å; Y27-N31 PolarHBondContact O-ND2 2.88Å; A29-N31 VanDerWaalsContact C-N 3.31Å; A29-N31 PolarHBondContact O-N 2.87Å; N31-L33 HydrophobicContact CB-CD1 4.05Å; N31-L33 HydrophobicContact CB-CD2 4.37Å; N31-L33 HydrophobicContact CB-CG 3.81Å; N31-L33 PolarHBondContact O-N 3.41Å
32H91.1Very high92.4Very high175 Ų17574.2 Ų74.281%0.8137%0.367SS*.THydrogen-bonded Turntrans51.539-178.2-55.1-65.2000113.7V28 A29V28-H32 PolarHBondContact O-N 3.46Å; A29-H32 PolarHBondContact O-N 2.82Å
33L91.4Very high92.4Very high68 Ų6873.1 Ų73.136%0.35637%0.372SS..  trans-83.7162.8179.6-57.9176.4000111.2Y27 V28 N31 K35 M37Y27-L33 HydrophobicContact CD1-CD1 3.93Å; Y27-L33 HydrophobicContact CE1-CD1 3.49Å; Y27-L33 VanDerWaalsContact CE1-CD1 3.49Å; V28-L33 HydrophobicContact CB-CB 4.42Å; V28-L33 HydrophobicContact CG1-CB 4.1Å; V28-L33 WeakPolarHBondContact CG1-O 3.44Å; V28-L33 HydrophobicContact CG2-CB 4.44Å; V28-L33 PolarHBondContact O-N 3.45Å; N31-L33 HydrophobicContact CB-CD1 4.05Å; N31-L33 HydrophobicContact CB-CD2 4.37Å; N31-L33 HydrophobicContact CB-CG 3.81Å; N31-L33 PolarHBondContact O-N 3.41Å; L33-K35 PolarHBondContact O-N 2.85Å; L33-M37 HydrophobicContact CD1-SD 3.95Å
34D91.8Very high92.5Very high104 Ų10476 Ų7656%0.55639%0.388SS*.  trans-61.9127.2176.4-173.9-5.3000111.1E36 M37D34-E36 PolarHBondContact O-N 2.92Å; D34-E36 WeakPolarHBondContact OD1-CB 3.41Å; D34-E36 PolarHBondContact OD1-N 3.39Å; D34-M37 WeakPolarHBondContact O-CB 3.31Å; D34-M37 PolarHBondContact O-N 3.26Å
35K91.5Very high92.4Very high164 Ų16476.4 Ų76.471%0.71339%0.389SS*.THydrogen-bonded Turntrans-62.6-24.1178.4-67-178-178.5177.20112.3L33 M37 I38 P39L33-K35 PolarHBondContact O-N 2.85Å; K35-M37 PolarHBondContact O-N 3.27Å; K35-M37 VanDerWaalsContact O-N 3.16Å; K35-I38 PolarHBondContact O-N 2.91Å; K35-I38 VanDerWaalsContact O-N 3.13Å; K35-P39 VanDerWaalsContact O-CD 3.26Å; K35-P39 WeakPolarHBondContact O-CD 3.32Å
36E92.3Very high92.4Very high107 Ų10771.5 Ų71.550%0.537%0.372SS..THydrogen-bonded Turntrans-62.3-16.2172.6-69.5-62.2131.800113D34 I38 P39 K40D34-E36 PolarHBondContact O-N 2.92Å; D34-E36 WeakPolarHBondContact OD1-CB 3.41Å; D34-E36 PolarHBondContact OD1-N 3.39Å; E36-I38 VanDerWaalsContact C-N 3.26Å; E36-I38 PolarHBondContact O-N 2.86Å; E36-P39 WeakPolarHBondContact O-CD 3.36Å; E36-P39 WeakPolarHBondContact O-CG 3.31Å; E36-K40 WeakPolarHBondContact O-CB 3.47Å; E36-K40 WeakPolarHBondContact O-CD 3.27Å; E36-K40 VanDerWaalsContact O-CG 3.24Å; E36-K40 WeakPolarHBondContact O-CG 3.47Å; E36-K40 PolarHBondContact O-N 3.49Å
37M91.9Very high92.2Very high37 Ų3771 Ų7118%0.18237%0.374CS..Hα-helixtrans-60.6-36.1172.5-173.5175.7174.500112T7 L24 V28 L33 D34 K35 W41T7-M37 HydrophobicContact CG2-CE 3.88Å; L24-M37 HydrophobicContact CD1-CE 4.28Å; V28-M37 HydrophobicContact CG2-CB 4.23Å; V28-M37 HydrophobicContact CG2-CG 4.33Å; V28-M37 HydrophobicContact CG2-SD 3.88Å; L33-M37 HydrophobicContact CD1-SD 3.95Å; D34-M37 WeakPolarHBondContact O-CB 3.31Å; D34-M37 PolarHBondContact O-N 3.26Å; K35-M37 PolarHBondContact O-N 3.27Å; K35-M37 VanDerWaalsContact O-N 3.16Å; M37-W41 HydrophobicContact CE-CD2 4.22Å; M37-W41 HydrophobicContact CE-CH2 4.13Å; M37-W41 HydrophobicContact CE-CZ2 3.3Å; M37-W41 HydrophobicContact CG-CG 4.41Å; M37-W41 WeakPolarHBondContact O-CB 3.45Å; M37-W41 PolarHBondContact O-N 3.32Å
38I92.4Very high92.1Very high22 Ų2277.6 Ų77.611%0.11341%0.405CS..Hα-helixtrans-64-58.2-177.2-60.5153.5000111.8I21 L24 R25 V28 K35 E36 K40 W41 Q42I21-I38 HydrophobicContact CG2-CG2 4.08Å; L24-I38 HydrophobicContact CG-CG1 4.39Å; R25-I38 HydrophobicContact CB-CD1 4.42Å; R25-I38 HydrophobicContact CG-CD1 3.7Å; R25-I38 HydrophobicContact CG-CG1 4.18Å; R25-I38 HydrophobicContact CG-CG2 4.26Å; V28-I38 HydrophobicContact CB-CD1 4.47Å; V28-I38 HydrophobicContact CG1-CD1 4.28Å; V28-I38 HydrophobicContact CG2-CG1 4.15Å; K35-I38 PolarHBondContact O-N 2.91Å; K35-I38 VanDerWaalsContact O-N 3.13Å; E36-I38 VanDerWaalsContact C-N 3.26Å; E36-I38 PolarHBondContact O-N 2.86Å; I38-K40 VanDerWaalsContact C-N 3.28Å; I38-K40 PolarHBondContact O-N 3.16Å; I38-W41 PolarHBondContact O-N 3.19Å; I38-Q42 WeakPolarHBondContact O-CG 3.25Å; I38-Q42 PolarHBondContact O-N 3.42Å
39P93.8Very high92Very high60 Ų6080.2 Ų80.239%0.3943%0.433SS..Hα-helixtrans-62.9-34.7179.524.6-34.2000112.2K35 E36 Q42 A43K35-P39 VanDerWaalsContact O-CD 3.26Å; K35-P39 WeakPolarHBondContact O-CD 3.32Å; E36-P39 WeakPolarHBondContact O-CD 3.36Å; E36-P39 WeakPolarHBondContact O-CG 3.31Å; P39-Q42 PolarHBondContact O-N 2.92Å; P39-A43 WeakPolarHBondContact O-CB 3.47Å; P39-A43 PolarHBondContact O-N 2.94Å
40K92.6Very high91.9Very high121 Ų12180.7 Ų80.753%0.52643%0.429SS..Hα-helixtrans-61.9-46.3175-73.3173.6-175.7169.30112.1E36 I38 A43 L44E36-K40 WeakPolarHBondContact O-CB 3.47Å; E36-K40 WeakPolarHBondContact O-CD 3.27Å; E36-K40 VanDerWaalsContact O-CG 3.24Å; E36-K40 WeakPolarHBondContact O-CG 3.47Å; E36-K40 PolarHBondContact O-N 3.49Å; I38-K40 VanDerWaalsContact C-N 3.28Å; I38-K40 PolarHBondContact O-N 3.16Å; K40-A43 PolarHBondContact O-N 3.1Å; K40-L44 WeakPolarHBondContact O-CB 3.32Å; K40-L44 VanDerWaalsContact O-CG 3.29Å; K40-L44 WeakPolarHBondContact O-CG 3.26Å; K40-L44 PolarHBondContact O-N 2.69Å
41W92.9Very high91.9Very high12 Ų1277 Ų775%0.04542%0.421CS..Hα-helixtrans-67.1-38.1178.5-8449000112.1F4 T7 I11 I19 L24 M37 I38 L44 F45 I53 F58F4-W41 HydrophobicContact CD1-CZ2 4.34Å; T7-W41 HydrophobicContact CG2-CH2 3.76Å; T7-W41 HydrophobicContact CG2-CZ2 3.94Å; I11-W41 HydrophobicContact CD1-CH2 3.84Å; I11-W41 HydrophobicContact CD1-CZ3 3.72Å; I19-W41 HydrophobicContact CD1-CE3 4.03Å; I19-W41 HydrophobicContact CD1-CZ3 3.68Å; L24-W41 HydrophobicContact CD1-CD2 4.13Å; L24-W41 HydrophobicContact CD1-CE3 3.92Å; L24-W41 HydrophobicContact CD1-CZ3 4.32Å; L24-W41 HydrophobicContact CD2-CB 3.6Å; L24-W41 HydrophobicContact CD2-CD2 4.23Å; L24-W41 HydrophobicContact CD2-CE3 4.12Å; L24-W41 HydrophobicContact CD2-CG 4.05Å; M37-W41 HydrophobicContact CE-CD2 4.22Å; M37-W41 HydrophobicContact CE-CH2 4.13Å; M37-W41 HydrophobicContact CE-CZ2 3.3Å; M37-W41 HydrophobicContact CG-CG 4.41Å; M37-W41 WeakPolarHBondContact O-CB 3.45Å; M37-W41 PolarHBondContact O-N 3.32Å; I38-W41 PolarHBondContact O-N 3.19Å; W41-L44 PolarHBondContact O-N 3.18Å; W41-F45 HydrophobicContact CB-CD2 4.01Å; W41-F45 HydrophobicContact CB-CE2 4.37Å; W41-F45 HydrophobicContact CD2-CD2 4.01Å; W41-F45 AromaticContact CD2-CE2 3.81Å; W41-F45 HydrophobicContact CD2-CE2 3.81Å; W41-F45 HydrophobicContact CE3-CD2 4.1Å; W41-F45 HydrophobicContact CE3-CE2 4.18Å; W41-F45 AromaticContact CG-CD2 3.99Å; W41-F45 HydrophobicContact CG-CD2 3.99Å; W41-F45 AromaticContact CG-CE2 3.9Å; W41-F45 HydrophobicContact CG-CE2 3.9Å; W41-F45 WeakPolarHBondContact O-CB 3.47Å; W41-F45 VanDerWaalsContact O-CD2 3.31Å; W41-F45 WeakPolarHBondContact O-CD2 3.29Å; W41-F45 PolarHBondContact O-N 3.23Å; W41-I53 HydrophobicContact CB-CD1 4.24Å; W41-I53 HydrophobicContact CE3-CD1 4.16Å; W41-F58 HydrophobicContact CD2-CE2 4.49Å; W41-F58 AromaticContact CE3-CE2 3.99Å; W41-F58 HydrophobicContact CE3-CE2 3.99Å; W41-F58 AromaticContact CH2-CE2 3.46Å; W41-F58 HydrophobicContact CH2-CE2 3.46Å; W41-F58 VanDerWaalsContact CH2-CE2 3.46Å; W41-F58 AromaticContact CH2-CZ 3.62Å; W41-F58 HydrophobicContact CH2-CZ 3.62Å; W41-F58 HydrophobicContact CZ2-CE2 4Å; W41-F58 HydrophobicContact CZ2-CZ 4.15Å; W41-F58 HydrophobicContact CZ3-CD2 4.26Å; W41-F58 AromaticContact CZ3-CE2 3.45Å; W41-F58 HydrophobicContact CZ3-CE2 3.45Å; W41-F58 VanDerWaalsContact CZ3-CE2 3.45Å; W41-F58 HydrophobicContact CZ3-CZ 4.05Å
42Q92.8Very high91.9Very high62 Ų6279.2 Ų79.229%0.2943%0.427SS..Hα-helixtrans-60.8-49.4173.5-71.6-176.7-82.500111.2I21 I38 P39 L44 D46I21-Q42 HydrophobicContact CD1-CG 3.55Å; I21-Q42 HydrophobicContact CG1-CG 4.09Å; I21-Q42 HydrophobicContact CG2-CG 4.32Å; I38-Q42 WeakPolarHBondContact O-CG 3.25Å; I38-Q42 PolarHBondContact O-N 3.42Å; P39-Q42 PolarHBondContact O-N 2.92Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 2.78Å; Q42-D46 CarbonylContact O-C 3.56Å; Q42-D46 WeakPolarHBondContact O-CA 3.11Å; Q42-D46 PolarHBondContact O-N 3.44Å
43A92.9Very high91.9Very high74 Ų7470.9 Ų70.961%0.61239%0.388SS*.Hα-helixtrans-62-36.7-179.900000113.1P39 K40P39-A43 WeakPolarHBondContact O-CB 3.47Å; P39-A43 PolarHBondContact O-N 2.94Å; K40-A43 PolarHBondContact O-N 3.1Å
44L92.2Very high91.8Very high95 Ų9570.5 Ų70.550%0.49739%0.388SS..Hα-helixtrans-81.7-44.4-178.1-69.9171.8000113.1K40 W41 Q42K40-L44 WeakPolarHBondContact O-CB 3.32Å; K40-L44 VanDerWaalsContact O-CG 3.29Å; K40-L44 WeakPolarHBondContact O-CG 3.26Å; K40-L44 PolarHBondContact O-N 2.69Å; W41-L44 PolarHBondContact O-N 3.18Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 2.78Å
45F93Very high91.6Very high8 Ų865.6 Ų65.64%0.03536%0.362CS..Hα-helixtrans-114-13.2-164.9-49.7-65.6000114.8W41 P47 I53 R57 F58 V61 L62W41-F45 HydrophobicContact CB-CD2 4.01Å; W41-F45 HydrophobicContact CB-CE2 4.37Å; W41-F45 HydrophobicContact CD2-CD2 4.01Å; W41-F45 AromaticContact CD2-CE2 3.81Å; W41-F45 HydrophobicContact CD2-CE2 3.81Å; W41-F45 HydrophobicContact CE3-CD2 4.1Å; W41-F45 HydrophobicContact CE3-CE2 4.18Å; W41-F45 AromaticContact CG-CD2 3.99Å; W41-F45 HydrophobicContact CG-CD2 3.99Å; W41-F45 AromaticContact CG-CE2 3.9Å; W41-F45 HydrophobicContact CG-CE2 3.9Å; W41-F45 WeakPolarHBondContact O-CB 3.47Å; W41-F45 VanDerWaalsContact O-CD2 3.31Å; W41-F45 WeakPolarHBondContact O-CD2 3.29Å; W41-F45 PolarHBondContact O-N 3.23Å; F45-P47 VanDerWaalsContact C-CD 3.41Å; F45-I53 HydrophobicContact CB-CB 4.3Å; F45-I53 HydrophobicContact CB-CD1 4.07Å; F45-I53 HydrophobicContact CB-CG1 3.93Å; F45-I53 HydrophobicContact CB-CG2 3.44Å; F45-I53 VanDerWaalsContact CB-CG2 3.44Å; F45-I53 HydrophobicContact CG-CG2 4.2Å; F45-R57 WeakPolarHBondContact O-CG 3.39Å; F45-F58 AromaticContact CD1-CD2 3.71Å; F45-F58 HydrophobicContact CD1-CD2 3.71Å; F45-F58 HydrophobicContact CD1-CE2 4.36Å; F45-F58 HydrophobicContact CD1-CG 4.41Å; F45-F58 AromaticContact CD2-CD2 3.83Å; F45-F58 HydrophobicContact CD2-CD2 3.83Å; F45-F58 AromaticContact CD2-CE2 3.94Å; F45-F58 HydrophobicContact CD2-CE2 3.94Å; F45-F58 AromaticContact CE1-CD2 3.64Å; F45-F58 HydrophobicContact CE1-CD2 3.64Å; F45-F58 AromaticContact CE1-CE2 3.93Å; F45-F58 HydrophobicContact CE1-CE2 3.93Å; F45-F58 HydrophobicContact CE1-CG 4.33Å; F45-F58 AromaticContact CE2-CD2 3.79Å; F45-F58 HydrophobicContact CE2-CD2 3.79Å; F45-F58 AromaticContact CE2-CE2 3.49Å; F45-F58 HydrophobicContact CE2-CE2 3.49Å; F45-F58 VanDerWaalsContact CE2-CE2 3.49Å; F45-F58 AromaticContact CG-CD2 3.81Å; F45-F58 HydrophobicContact CG-CD2 3.81Å; F45-F58 HydrophobicContact CG-CE2 4.36Å; F45-F58 AromaticContact CZ-CD2 3.69Å; F45-F58 HydrophobicContact CZ-CD2 3.69Å; F45-F58 AromaticContact CZ-CE2 3.48Å; F45-F58 HydrophobicContact CZ-CE2 3.48Å; F45-F58 VanDerWaalsContact CZ-CE2 3.48Å; F45-F58 HydrophobicContact CZ-CZ 4.33Å; F45-V61 HydrophobicContact CD1-CB 3.77Å; F45-V61 HydrophobicContact CD1-CG1 3.81Å; F45-V61 HydrophobicContact CD1-CG2 4.1Å; F45-V61 HydrophobicContact CE1-CB 3.76Å; F45-V61 HydrophobicContact CE1-CG1 3.56Å; F45-L62 HydrophobicContact CE1-CD2 4.44Å; F45-L62 HydrophobicContact CE1-CG 4.29Å; F45-L62 HydrophobicContact CZ-CD2 4.35Å
46D92.3Very high91.4Very high9 Ų966 Ų665%0.04836%0.359CS..  trans-130.556.5174.7-175.429.1000110.8Q42 E48 G49 T50 G51 I53Q42-D46 CarbonylContact O-C 3.56Å; Q42-D46 WeakPolarHBondContact O-CA 3.11Å; Q42-D46 PolarHBondContact O-N 3.44Å; D46-E48 PolarHBondContact O-N 2.91Å; D46-E48 VanDerWaalsContact O-N 3.14Å; D46-G49 PolarHBondContact O-N 3.4Å; D46-G49 PolarHBondContact OD1-N 3.38Å; D46-T50 WeakPolarHBondContact OD1-CB 3.14Å; D46-T50 PolarHBondContact OD1-N 3.36Å; D46-T50 PolarHBondContact OD1-OG1 3.14Å; D46-T50 PolarHBondContact OD2-N 2.99Å; D46-G51 WeakPolarHBondContact OD2-CA 3.21Å; D46-G51 PolarHBondContact OD2-N 3.17Å; D46-I53 HydrophobicContact CB-CG1 4.01Å
47P89.7Confident91.2Very high82 Ų8265.7 Ų65.753%0.53235%0.353SS..THydrogen-bonded Turntrans-63.3-21.9-175.827.6-36.4000113.2F45 G49F45-P47 VanDerWaalsContact C-CD 3.41Å; P47-G49 VanDerWaalsContact C-N 3.32Å
48E90.3Very high91.1Very high172 Ų17263.9 Ų63.980%0.80435%0.345SS*.THydrogen-bonded Turntrans-84.1-6.7177.5-68.9164.4-164.600112.6D46 T50D46-E48 PolarHBondContact O-N 2.91Å; D46-E48 VanDerWaalsContact O-N 3.14Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 HydrophobicContact CB-CG2 3.86Å; E48-T50 PolarHBondContact O-N 2.83Å
49G90.2Very high90.9Very high59 Ų5962.9 Ų62.961%0.60834%0.339SS*.  trans66.531.5178.900000113.7D46 P47 G51D46-G49 PolarHBondContact O-N 3.4Å; D46-G49 PolarHBondContact OD1-N 3.38Å; P47-G49 VanDerWaalsContact C-N 3.32Å; G49-G51 PolarHBondContact O-N 2.79Å
50T91.1Very high90.6Very high79 Ų7964.3 Ų64.349%0.48534%0.341SS..  trans-68.7-17.2-179.169.30000113.2D46 E48 K52D46-T50 WeakPolarHBondContact OD1-CB 3.14Å; D46-T50 PolarHBondContact OD1-N 3.36Å; D46-T50 PolarHBondContact OD1-OG1 3.14Å; D46-T50 PolarHBondContact OD2-N 2.99Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 HydrophobicContact CB-CG2 3.86Å; E48-T50 PolarHBondContact O-N 2.83Å; T50-K52 VanDerWaalsContact C-N 3.27Å; T50-K52 PolarHBondContact OG1-N 2.81Å; T50-K52 PolarHBondContact OG1-O 2.82Å; T50-K52 VanDerWaalsContact OG1-O 3.1Å
51G91.2Very high90.4Very high31 Ų3161.2 Ų61.232%0.3233%0.332SS..SBendtrans79.57.9-172.700000113.5I21 D46 G49I21-G51 PolarHBondContact N-O 3.28Å; D46-G51 WeakPolarHBondContact OD2-CA 3.21Å; D46-G51 PolarHBondContact OD2-N 3.17Å; G49-G51 PolarHBondContact O-N 2.79Å
52K91.9Very high90.2Very high123 Ų12362.6 Ų62.654%0.53534%0.34SS..EExtended strand (participates in β ladder)trans-133.9135.4-176.6-63.1178.7-175.9175.40110.4V18 I19 T50V18-K52 HydrophobicContact CG1-CB 3.98Å; V18-K52 HydrophobicContact CG1-CD 4.27Å; V18-K52 HydrophobicContact CG1-CG 4.29Å; I19-K52 WeakPolarHBondContact O-CA 3.49Å; T50-K52 VanDerWaalsContact C-N 3.27Å; T50-K52 PolarHBondContact OG1-N 2.81Å; T50-K52 PolarHBondContact OG1-O 2.82Å; T50-K52 VanDerWaalsContact OG1-O 3.1Å
53I91.9Very high89.8Confident0 Ų063 Ų630%036%0.36CS..EExtended strand (participates in β ladder)trans-112.1115171.8-60.1165.3000107.6F8 V18 I19 I21 L24 W41 F45 D46 F58F8-I53 HydrophobicContact CE2-CG2 4.15Å; V18-I53 WeakPolarHBondContact CA-O 3.38Å; I19-I53 HydrophobicContact CD1-CB 4.15Å; I19-I53 HydrophobicContact CD1-CD1 4.22Å; I19-I53 HydrophobicContact CD1-CG2 4.42Å; I19-I53 HydrophobicContact CG1-CB 3.67Å; I19-I53 HydrophobicContact CG1-CD1 4.42Å; I19-I53 HydrophobicContact CG1-CG2 4.3Å; I19-I53 PolarHBondContact N-O 3.02Å; I19-I53 PolarHBondContact O-N 3.49Å; I21-I53 HydrophobicContact CD1-CD1 3.93Å; I21-I53 HydrophobicContact CD1-CG1 4.2Å; L24-I53 HydrophobicContact CD2-CD1 4.5Å; W41-I53 HydrophobicContact CB-CD1 4.24Å; W41-I53 HydrophobicContact CE3-CD1 4.16Å; F45-I53 HydrophobicContact CB-CB 4.3Å; F45-I53 HydrophobicContact CB-CD1 4.07Å; F45-I53 HydrophobicContact CB-CG1 3.93Å; F45-I53 HydrophobicContact CB-CG2 3.44Å; F45-I53 VanDerWaalsContact CB-CG2 3.44Å; F45-I53 HydrophobicContact CG-CG2 4.2Å; D46-I53 HydrophobicContact CB-CG1 4.01Å; I53-F58 HydrophobicContact CG2-CB 4.33Å; I53-F58 HydrophobicContact CG2-CD2 4.21Å
54T89.6Confident89.3Confident59 Ų5960.2 Ų60.236%0.36234%0.336SS..EExtended strand (participates in β ladder)trans-83.9146.9176.969.10000110.5N17 V18 R56 R57 F58N17-T54 WeakPolarHBondContact O-CA 3.28Å; V18-T54 HydrophobicContact CG2-CG2 4.3Å; T54-R56 PolarHBondContact O-N 3.12Å; T54-R57 PolarHBondContact O-N 3.06Å; T54-R57 VanDerWaalsContact OG1-CB 3.28Å; T54-R57 WeakPolarHBondContact OG1-CB 3.41Å; T54-R57 PolarHBondContact OG1-N 3.2Å; T54-R57 VanDerWaalsContact OG1-N 3.16Å; T54-F58 WeakPolarHBondContact O-CB 3.47Å; T54-F58 PolarHBondContact O-N 2.78Å
55F87.6Confident88.5Confident2 Ų261 Ų611%0.00934%0.337CS..Hα-helixtrans-60.5-37.6177.7-179.6-123.5000111.8I5 F8 N17 F58 C59 P66 H69 Q70 I73I5-F55 HydrophobicContact CG2-CE2 4.29Å; I5-F55 HydrophobicContact CG2-CZ 4.45Å; F8-F55 HydrophobicContact CD1-CB 4.41Å; F8-F55 AromaticContact CD1-CD2 3.85Å; F8-F55 HydrophobicContact CD1-CD2 3.85Å; F8-F55 HydrophobicContact CD1-CG 4.45Å; F8-F55 HydrophobicContact CD2-CD2 4.45Å; F8-F55 HydrophobicContact CE1-CB 3.7Å; F8-F55 HydrophobicContact CE1-CD2 4.01Å; F8-F55 HydrophobicContact CE1-CG 4.19Å; F8-F55 HydrophobicContact CE2-CB 4.38Å; F8-F55 HydrophobicContact CG-CD2 4.1Å; F8-F55 HydrophobicContact CZ-CB 3.68Å; F8-F55 HydrophobicContact CZ-CD2 4.37Å; F8-F55 HydrophobicContact CZ-CG 4.5Å; N17-F55 HydrophobicContact CB-CB 3.82Å; N17-F55 PolarHBondContact O-N 2.94Å; F55-F58 HydrophobicContact CD2-CD1 4.45Å; F55-F58 WeakPolarHBondContact O-CB 3.41Å; F55-F58 PolarHBondContact O-N 3.37Å; F55-C59 WeakPolarHBondContact CE2-SG 3.46Å; F55-C59 WeakPolarHBondContact CZ-SG 3.37Å; F55-C59 WeakPolarHBondContact O-CB 3.48Å; F55-C59 PolarHBondContact O-N 2.78Å; F55-P66 HydrophobicContact CE1-CB 4.17Å; F55-H69 HydrophobicContact CZ-CB 3.86Å; F55-Q70 VanDerWaalsContact CD1-OE1 3.28Å; F55-Q70 HydrophobicContact CE1-CB 4.29Å; F55-I73 HydrophobicContact CD1-CD1 4.27Å; F55-I73 HydrophobicContact CD2-CD1 3.16Å; F55-I73 HydrophobicContact CE1-CD1 4Å; F55-I73 HydrophobicContact CE2-CD1 2.84Å; F55-I73 HydrophobicContact CE2-CG1 4.31Å; F55-I73 HydrophobicContact CG-CD1 3.89Å; F55-I73 HydrophobicContact CZ-CD1 3.29Å
56R86.2Confident87.4Confident173 Ų17362.1 Ų62.165%0.65335%0.345SS*.Hα-helixtrans-57.2-52.2174.7179178.9172.1172.33.3111.3T54 F58 C59 E60T54-R56 PolarHBondContact O-N 3.12Å; R56-F58 VanDerWaalsContact C-N 3.29Å; R56-F58 PolarHBondContact O-N 2.71Å; R56-C59 PolarHBondContact O-N 3.45Å; R56-E60 HydrophobicContact CG-CG 4.46Å; R56-E60 WeakPolarHBondContact CG-OE1 3.4Å; R56-E60 IonicContact CZ-OE1 2.8Å; R56-E60 IonicContact NE-OE1 3.63Å; R56-E60 PolarHBondContact NE-OE1 3.04Å; R56-E60 IonicContact NH2-OE1 3.78Å; R56-E60 VanDerWaalsContact O-CG 3.29Å; R56-E60 WeakPolarHBondContact O-CG 3.32Å; R56-E60 PolarHBondContact O-N 2.83Å
57R88.1Confident86.1Confident99 Ų9968.6 Ų68.637%0.37438%0.375SS..Hα-helixtrans-62.7-40.1178.7-177.957.7178178.60.4111.5F45 T54 C59 E60 V61F45-R57 WeakPolarHBondContact O-CG 3.39Å; T54-R57 PolarHBondContact O-N 3.06Å; T54-R57 VanDerWaalsContact OG1-CB 3.28Å; T54-R57 WeakPolarHBondContact OG1-CB 3.41Å; T54-R57 PolarHBondContact OG1-N 3.2Å; T54-R57 VanDerWaalsContact OG1-N 3.16Å; R57-C59 PolarHBondContact O-N 3.44Å; R57-E60 IonicContact NH1-OE2 2.79Å; R57-E60 PolarHBondContact O-N 2.84Å; R57-V61 HydrophobicContact CG-CG2 4.42Å; R57-V61 WeakPolarHBondContact O-CG2 3.5Å; R57-V61 PolarHBondContact O-N 3.28Å
58F90.4Very high84.8Confident0 Ų073.8 Ų73.80%038%0.384CS..Hα-helixtrans-58-47.4176-169.3-98.3000111.6F4 F8 W41 F45 I53 T54 F55 R56 L62F4-F58 HydrophobicContact CB-CE1 4.09Å; F4-F58 HydrophobicContact CB-CZ 3.86Å; F4-F58 WeakPolarHBondContact O-CE1 3.41Å; F4-F58 VanDerWaalsContact O-CZ 3.29Å; F4-F58 WeakPolarHBondContact O-CZ 3.41Å; F8-F58 HydrophobicContact CB-CD1 4.14Å; F8-F58 HydrophobicContact CB-CE1 3.82Å; F8-F58 HydrophobicContact CB-CZ 4.12Å; F8-F58 HydrophobicContact CD2-CB 4.03Å; F8-F58 AromaticContact CD2-CD1 3.89Å; F8-F58 HydrophobicContact CD2-CD1 3.89Å; F8-F58 AromaticContact CD2-CD2 3.86Å; F8-F58 HydrophobicContact CD2-CD2 3.86Å; F8-F58 HydrophobicContact CD2-CE1 4.26Å; F8-F58 HydrophobicContact CD2-CE2 4.24Å; F8-F58 AromaticContact CD2-CG 3.66Å; F8-F58 HydrophobicContact CD2-CG 3.66Å; F8-F58 HydrophobicContact CD2-CZ 4.41Å; F8-F58 HydrophobicContact CE2-CB 4.11Å; F8-F58 HydrophobicContact CE2-CD2 4.49Å; F8-F58 HydrophobicContact CE2-CG 4.23Å; F8-F58 HydrophobicContact CG-CD1 4.26Å; F8-F58 HydrophobicContact CG-CE1 4.41Å; F8-F58 HydrophobicContact CG-CG 4.47Å; W41-F58 HydrophobicContact CD2-CE2 4.49Å; W41-F58 AromaticContact CE3-CE2 3.99Å; W41-F58 HydrophobicContact CE3-CE2 3.99Å; W41-F58 AromaticContact CH2-CE2 3.46Å; W41-F58 HydrophobicContact CH2-CE2 3.46Å; W41-F58 VanDerWaalsContact CH2-CE2 3.46Å; W41-F58 AromaticContact CH2-CZ 3.62Å; W41-F58 HydrophobicContact CH2-CZ 3.62Å; W41-F58 HydrophobicContact CZ2-CE2 4Å; W41-F58 HydrophobicContact CZ2-CZ 4.15Å; W41-F58 HydrophobicContact CZ3-CD2 4.26Å; W41-F58 AromaticContact CZ3-CE2 3.45Å; W41-F58 HydrophobicContact CZ3-CE2 3.45Å; W41-F58 VanDerWaalsContact CZ3-CE2 3.45Å; W41-F58 HydrophobicContact CZ3-CZ 4.05Å; F45-F58 AromaticContact CD1-CD2 3.71Å; F45-F58 HydrophobicContact CD1-CD2 3.71Å; F45-F58 HydrophobicContact CD1-CE2 4.36Å; F45-F58 HydrophobicContact CD1-CG 4.41Å; F45-F58 AromaticContact CD2-CD2 3.83Å; F45-F58 HydrophobicContact CD2-CD2 3.83Å; F45-F58 AromaticContact CD2-CE2 3.94Å; F45-F58 HydrophobicContact CD2-CE2 3.94Å; F45-F58 AromaticContact CE1-CD2 3.64Å; F45-F58 HydrophobicContact CE1-CD2 3.64Å; F45-F58 AromaticContact CE1-CE2 3.93Å; F45-F58 HydrophobicContact CE1-CE2 3.93Å; F45-F58 HydrophobicContact CE1-CG 4.33Å; F45-F58 AromaticContact CE2-CD2 3.79Å; F45-F58 HydrophobicContact CE2-CD2 3.79Å; F45-F58 AromaticContact CE2-CE2 3.49Å; F45-F58 HydrophobicContact CE2-CE2 3.49Å; F45-F58 VanDerWaalsContact CE2-CE2 3.49Å; F45-F58 AromaticContact CG-CD2 3.81Å; F45-F58 HydrophobicContact CG-CD2 3.81Å; F45-F58 HydrophobicContact CG-CE2 4.36Å; F45-F58 AromaticContact CZ-CD2 3.69Å; F45-F58 HydrophobicContact CZ-CD2 3.69Å; F45-F58 AromaticContact CZ-CE2 3.48Å; F45-F58 HydrophobicContact CZ-CE2 3.48Å; F45-F58 VanDerWaalsContact CZ-CE2 3.48Å; F45-F58 HydrophobicContact CZ-CZ 4.33Å; I53-F58 HydrophobicContact CG2-CB 4.33Å; I53-F58 HydrophobicContact CG2-CD2 4.21Å; T54-F58 WeakPolarHBondContact O-CB 3.47Å; T54-F58 PolarHBondContact O-N 2.78Å; F55-F58 HydrophobicContact CD2-CD1 4.45Å; F55-F58 WeakPolarHBondContact O-CB 3.41Å; F55-F58 PolarHBondContact O-N 3.37Å; R56-F58 VanDerWaalsContact C-N 3.29Å; R56-F58 PolarHBondContact O-N 2.71Å; F58-L62 HydrophobicContact CD1-CD1 3.72Å; F58-L62 HydrophobicContact CE1-CD1 3.34Å; F58-L62 HydrophobicContact CG-CD1 4.47Å; F58-L62 HydrophobicContact CZ-CD1 3.83Å; F58-L62 WeakPolarHBondContact O-CB 3.33Å; F58-L62 VanDerWaalsContact O-CG 3.3Å; F58-L62 WeakPolarHBondContact O-CG 3.35Å; F58-L62 PolarHBondContact O-N 2.99Å; F58-L62 VanDerWaalsContact O-N 3.11Å
59C87.4Confident83.5Confident0 Ų067.3 Ų67.30%035%0.354CS..Hα-helixtrans-64.2-44.1174.7-780000113.5F55 R56 R57 V61 L62 G63 V64 P66F55-C59 WeakPolarHBondContact CE2-SG 3.46Å; F55-C59 WeakPolarHBondContact CZ-SG 3.37Å; F55-C59 WeakPolarHBondContact O-CB 3.48Å; F55-C59 PolarHBondContact O-N 2.78Å; R56-C59 PolarHBondContact O-N 3.45Å; R57-C59 PolarHBondContact O-N 3.44Å; C59-V61 VanDerWaalsContact C-N 3.34Å; C59-V61 PolarHBondContact O-N 3.32Å; C59-L62 CarbonylContact O-C 3.58Å; C59-L62 PolarHBondContact O-N 3.23Å; C59-G63 PolarHBondContact O-N 3.08Å; C59-V64 HydrophobicContact CB-CG2 3.8Å; C59-V64 WeakPolarHBondContact CB-O 3.41Å; C59-V64 PolarHBondContact O-N 2.71Å; C59-P66 HydrophobicContact CB-CB 3.98Å
60E87.5Confident82Confident90 Ų9066.3 Ų66.342%0.42133%0.333SS..Hα-helixtrans-57.5-46.5178.2-75.4170.4-176.700111.2R56 R57 G63R56-E60 HydrophobicContact CG-CG 4.46Å; R56-E60 WeakPolarHBondContact CG-OE1 3.4Å; R56-E60 IonicContact CZ-OE1 2.8Å; R56-E60 IonicContact NE-OE1 3.63Å; R56-E60 PolarHBondContact NE-OE1 3.04Å; R56-E60 IonicContact NH2-OE1 3.78Å; R56-E60 VanDerWaalsContact O-CG 3.29Å; R56-E60 WeakPolarHBondContact O-CG 3.32Å; R56-E60 PolarHBondContact O-N 2.83Å; R57-E60 IonicContact NH1-OE2 2.79Å; R57-E60 PolarHBondContact O-N 2.84Å; E60-G63 PolarHBondContact O-N 3.11Å
61V89.2Confident80.5Confident56 Ų5665.3 Ų65.334%0.33933%0.333SS..Hα-helixtrans-68.6-34.7179.2173.60000111.9F45 R57 C59 G63F45-V61 HydrophobicContact CD1-CB 3.77Å; F45-V61 HydrophobicContact CD1-CG1 3.81Å; F45-V61 HydrophobicContact CD1-CG2 4.1Å; F45-V61 HydrophobicContact CE1-CB 3.76Å; F45-V61 HydrophobicContact CE1-CG1 3.56Å; R57-V61 HydrophobicContact CG-CG2 4.42Å; R57-V61 WeakPolarHBondContact O-CG2 3.5Å; R57-V61 PolarHBondContact O-N 3.28Å; C59-V61 VanDerWaalsContact C-N 3.34Å; C59-V61 PolarHBondContact O-N 3.32Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 3.2Å
62L87.9Confident79Confident42 Ų4267.2 Ų67.222%0.2234%0.335CS..Hα-helixtrans-78.7-5.9175.9-67.9179000113.8F4 F45 F58 C59 V64F4-L62 HydrophobicContact CB-CD1 3.7Å; F4-L62 HydrophobicContact CG-CD1 4.44Å; F4-L62 HydrophobicContact CG-CD2 4.5Å; F45-L62 HydrophobicContact CE1-CD2 4.44Å; F45-L62 HydrophobicContact CE1-CG 4.29Å; F45-L62 HydrophobicContact CZ-CD2 4.35Å; F58-L62 HydrophobicContact CD1-CD1 3.72Å; F58-L62 HydrophobicContact CE1-CD1 3.34Å; F58-L62 HydrophobicContact CG-CD1 4.47Å; F58-L62 HydrophobicContact CZ-CD1 3.83Å; F58-L62 WeakPolarHBondContact O-CB 3.33Å; F58-L62 VanDerWaalsContact O-CG 3.3Å; F58-L62 WeakPolarHBondContact O-CG 3.35Å; F58-L62 PolarHBondContact O-N 2.99Å; F58-L62 VanDerWaalsContact O-N 3.11Å; C59-L62 CarbonylContact O-C 3.58Å; C59-L62 PolarHBondContact O-N 3.23Å; L62-V64 VanDerWaalsContact C-N 3.3Å; L62-V64 HydrophobicContact CB-CG1 4.48Å; L62-V64 HydrophobicContact CB-CG2 4.09Å; L62-V64 PolarHBondContact O-N 3.28Å
63G84.4Confident77.3Confident69 Ų6961.5 Ų61.571%0.71131%0.31SS*.THydrogen-bonded Turntrans6925.2-178.200000114C59 E60 V61C59-G63 PolarHBondContact O-N 3.08Å; E60-G63 PolarHBondContact O-N 3.11Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 3.2Å
64V83.9Confident75.6Confident17 Ų1762.2 Ų62.210%0.10331%0.314CS..  trans-109.9146.6-179.3-62.30000111.3M1 I5 C59 L62M1-V64 HydrophobicContact CB-CG1 4.45Å; M1-V64 HydrophobicContact SD-CG1 3.72Å; I5-V64 HydrophobicContact CD1-CG2 3.97Å; C59-V64 HydrophobicContact CB-CG2 3.8Å; C59-V64 WeakPolarHBondContact CB-O 3.41Å; C59-V64 PolarHBondContact O-N 2.71Å; L62-V64 VanDerWaalsContact C-N 3.3Å; L62-V64 HydrophobicContact CB-CG1 4.48Å; L62-V64 HydrophobicContact CB-CG2 4.09Å; L62-V64 PolarHBondContact O-N 3.28Å
65Q74.7Confident73.9Confident112 Ų11267.9 Ų67.952%0.52333%0.329SS..  trans-74.5121.8175.6-70.5-177-19.200110.4E67 H69Q65-E67 VanDerWaalsContact C-N 3.31Å; Q65-E67 PolarHBondContact O-N 3.17Å; Q65-H69 PolarHBondContact O-ND1 3.42Å
66P69Low72.1Confident31 Ų3169.1 Ų69.120%0.20134%0.337CS..Hα-helixtrans-65.2-32.7-176.223.6-31.1000112.7F55 C59 R68 H69 Q70F55-P66 HydrophobicContact CE1-CB 4.17Å; C59-P66 HydrophobicContact CB-CB 3.98Å; P66-R68 VanDerWaalsContact C-N 3.28Å; P66-R68 PolarHBondContact O-N 2.83Å; P66-H69 CarbonylContact O-C 3.56Å; P66-H69 PolarHBondContact O-N 2.86Å; P66-Q70 WeakPolarHBondContact O-CB 3.49Å; P66-Q70 PolarHBondContact O-N 2.7Å
67E67Low70.4Confident145 Ų14566.4 Ų66.468%0.67834%0.335SS*.Hα-helixtrans-60.8-38.4-175.9-61.772.4-155.800112Q65 H69Q65-E67 VanDerWaalsContact C-N 3.31Å; Q65-E67 PolarHBondContact O-N 3.17Å; E67-H69 VanDerWaalsContact C-N 3.32Å
68R62.4Low68.6Low191 Ų19171.1 Ų71.172%0.72135%0.354SS*.Hα-helixtrans-71.1-28.7178.2-67.6-174-179.2-170.3-1.4112.7P66P66-R68 VanDerWaalsContact C-N 3.28Å; P66-R68 PolarHBondContact O-N 2.83Å
69H61.9Low66.7Low35 Ų3572.2 Ų72.216%0.16237%0.365CS..Hα-helixtrans-104.9-11.5-170.2-64.398.3000113.4I5 F55 Q65 P66 E67 A71 I72I5-H69 HydrophobicContact CD1-CB 3.88Å; I5-H69 WeakPolarHBondContact CD1-CD2 3.22Å; I5-H69 VanDerWaalsContact CD1-CG 3.41Å; I5-H69 HydrophobicContact CG2-CB 3.95Å; F55-H69 HydrophobicContact CZ-CB 3.86Å; Q65-H69 PolarHBondContact O-ND1 3.42Å; P66-H69 CarbonylContact O-C 3.56Å; P66-H69 PolarHBondContact O-N 2.86Å; E67-H69 VanDerWaalsContact C-N 3.32Å; H69-A71 PolarHBondContact O-N 3.22Å; H69-I72 WeakPolarHBondContact O-CB 3Å; H69-I72 PolarHBondContact O-N 2.77Å
70Q59.1Low65.1Low39 Ų3976.8 Ų76.818%0.18239%0.388CS..Hα-helixtrans-60.7-28.3177.1-169.458.483.900112.7N17 F55 P66 I72 N74N17-Q70 VanDerWaalsContact CG-NE2 3.29Å; N17-Q70 PolarHBondContact ND2-NE2 3.01Å; N17-Q70 PolarHBondContact OD1-NE2 3.37Å; N17-Q70 PolarHBondContact OD1-OE1 2.92Å; F55-Q70 VanDerWaalsContact CD1-OE1 3.28Å; F55-Q70 HydrophobicContact CE1-CB 4.29Å; P66-Q70 WeakPolarHBondContact O-CB 3.49Å; P66-Q70 PolarHBondContact O-N 2.7Å; Q70-I72 VanDerWaalsContact C-N 3.3Å; Q70-N74 WeakPolarHBondContact CG-ND2 3.44Å; Q70-N74 VanDerWaalsContact NE2-CG 3.29Å; Q70-N74 PolarHBondContact NE2-ND2 3.19Å; Q70-N74 VanDerWaalsContact NE2-ND2 3.11Å; Q70-N74 PolarHBondContact NE2-OD1 2.99Å; Q70-N74 VanDerWaalsContact NE2-OD1 3.08Å; Q70-N74 WeakPolarHBondContact O-CB 3.22Å; Q70-N74 PolarHBondContact O-N 3.11Å; Q70-N74 PolarHBondContact O-ND2 3.18Å
71A59Low63.5Low57 Ų5778.4 Ų78.447%0.47141%0.407SS..Hα-helixtrans-66.2-29.5173.800000113H69H69-A71 PolarHBondContact O-N 3.22Å
72I59.8Low62.1Low72 Ų7277 Ų7737%0.36940%0.398SS..Hα-helixtrans-75.6-35.3-179-58.6176.6000110.9I5 T6 H69 Q70I5-I72 HydrophobicContact CG2-CB 4.37Å; I5-I72 HydrophobicContact CG2-CG2 4.35Å; T6-I72 HydrophobicContact CG2-CG2 4.11Å; H69-I72 WeakPolarHBondContact O-CB 3Å; H69-I72 PolarHBondContact O-N 2.77Å; Q70-I72 VanDerWaalsContact C-N 3.3Å
73I57Low61.2Low3 Ų381.2 Ų81.22%0.01543%0.426CS..Hα-helixtrans-90.3-30.7-174.1-72.8160.7000113.1I5 F8 F55 R75I5-I73 HydrophobicContact CG2-CD1 3.78Å; I5-I73 HydrophobicContact CG2-CG1 4.2Å; F8-I73 HydrophobicContact CB-CD1 4.19Å; F8-I73 HydrophobicContact CD1-CD1 3.65Å; F8-I73 HydrophobicContact CD1-CG1 4.22Å; F8-I73 HydrophobicContact CD1-CG2 4.02Å; F8-I73 HydrophobicContact CE1-CD1 4.47Å; F8-I73 HydrophobicContact CE1-CG2 4.24Å; F8-I73 HydrophobicContact CG-CD1 4.21Å; F55-I73 HydrophobicContact CD1-CD1 4.27Å; F55-I73 HydrophobicContact CD2-CD1 3.16Å; F55-I73 HydrophobicContact CE1-CD1 4Å; F55-I73 HydrophobicContact CE2-CD1 2.84Å; F55-I73 HydrophobicContact CE2-CG1 4.31Å; F55-I73 HydrophobicContact CG-CD1 3.89Å; F55-I73 HydrophobicContact CZ-CD1 3.29Å; I73-R75 PolarHBondContact O-N 3.28Å
74N55.2Low61Low15 Ų1580.6 Ų80.68%0.0842%0.42CS..  trans-74.325.8179.1-74.5-22.8000113.5N17 Q70 P76N17-N74 PolarHBondContact ND2-OD1 2.9Å; Q70-N74 WeakPolarHBondContact CG-ND2 3.44Å; Q70-N74 VanDerWaalsContact NE2-CG 3.29Å; Q70-N74 PolarHBondContact NE2-ND2 3.19Å; Q70-N74 VanDerWaalsContact NE2-ND2 3.11Å; Q70-N74 PolarHBondContact NE2-OD1 2.99Å; Q70-N74 VanDerWaalsContact NE2-OD1 3.08Å; Q70-N74 WeakPolarHBondContact O-CB 3.22Å; Q70-N74 PolarHBondContact O-N 3.11Å; Q70-N74 PolarHBondContact O-ND2 3.18Å; N74-P76 WeakPolarHBondContact O-CD 3.21Å; N74-P76 WeakPolarHBondContact O-CG 3.42Å
75R54.5Low61.2Low178 Ų17880.8 Ų80.867%0.67242%0.42SS*.  trans-63.6100.7169.7-157.3178.6-164-1742.6107.1I73 L77 F90I73-R75 PolarHBondContact O-N 3.28Å; R75-L77 PolarHBondContact O-N 2.79Å; R75-F90 HydrophobicContact CB-CE1 4.46Å; R75-F90 HydrophobicContact CB-CZ 4.2Å; R75-F90 HydrophobicContact CG-CE1 3.51Å; R75-F90 HydrophobicContact CG-CZ 3.58Å
76P50.2Low61.8Low27 Ų2779.9 Ų79.918%0.17541%0.412CS..  trans-64.1123.2-179.9-10.728.9000107.3N74 Y78 F90 K163N74-P76 WeakPolarHBondContact O-CD 3.21Å; N74-P76 WeakPolarHBondContact O-CG 3.42Å; P76-Y78 PolarHBondContact O-N 2.8Å; P76-F90 HydrophobicContact CB-CG 4.49Å; P76-F90 VanDerWaalsContact CD-CZ 3.42Å; P76-F90 HydrophobicContact CG-CB 3.85Å; P76-F90 HydrophobicContact CG-CD1 4.04Å; P76-F90 HydrophobicContact CG-CD2 3.62Å; P76-F90 HydrophobicContact CG-CE2 4.18Å; P76-F90 HydrophobicContact CG-CG 3.53Å; P76-K163 HydrophobicContact CG-CD 4.14Å
77L49.1Very low62.5Low116 Ų11683.2 Ų83.261%0.60743%0.434SS*.SBendtrans-62.9-4.6168.2-74.8-171.7000113K13 R75K13-L77 HydrophobicContact CB-CD1 3.47Å; K13-L77 VanDerWaalsContact CB-CD1 3.47Å; K13-L77 HydrophobicContact CG-CD1 3.98Å; K13-L77 WeakPolarHBondContact O-CD1 3.46Å; K13-L77 WeakPolarHBondContact O-CG 3.24Å; R75-L77 PolarHBondContact O-N 2.79Å
78Y50.2Low63.4Low199 Ų19979.5 Ų79.578%0.7842%0.416SS*.SBendtrans-116.272.3178.9-60.2-81.2000109.5P76P76-Y78 PolarHBondContact O-N 2.8Å
79G51.5Low64.6Low22 Ų2270.8 Ų70.823%0.22738%0.384CS..SBendtrans-156.5139.6167.400000109.4P81 V91G79-P81 WeakPolarHBondContact O-CD 3.41Å; G79-V91 WeakPolarHBondContact CA-O 3.09Å
80I54Low65.9Low97 Ų9770.6 Ų70.650%0.49738%0.382SS..BIsolated β-bridgetrans-70.1117.4175.7-58.4169.8000106.7T82 V91I80-T82 HydrophobicContact CB-CG2 4.39Å; I80-T82 HydrophobicContact CG2-CG2 3.99Å; I80-T82 PolarHBondContact O-N 2.78Å; I80-V91 PolarHBondContact N-O 3.38Å
81P53.9Low67.4Low124 Ų12468.8 Ų68.881%0.80537%0.374SS*.  trans-63.6106.8168.1-13.128.5000106.8G79G79-P81 WeakPolarHBondContact O-CD 3.41Å
82T59.5Low68.9Low27 Ų2769.4 Ų69.417%0.16637%0.369CS..  trans-98.2122-179.336.30000108.6I80 G84 L85 V91I80-T82 HydrophobicContact CB-CG2 4.39Å; I80-T82 HydrophobicContact CG2-CG2 3.99Å; I80-T82 PolarHBondContact O-N 2.78Å; T82-G84 PolarHBondContact O-N 3.46Å; T82-L85 PolarHBondContact O-N 2.94Å; T82-L85 WeakPolarHBondContact OG1-CD1 3.45Å; T82-L85 WeakPolarHBondContact OG1-CG 3.41Å; T82-V91 HydrophobicContact CG2-CG2 4.01Å
83T68.9Low70.4Confident129 Ų12968.6 Ų68.679%0.79136%0.364SS*.THydrogen-bonded Turntrans-60122.9173.439.10000109.3
84G80.5Confident72Confident57 Ų5772.1 Ų72.159%0.58838%0.38SS*.THydrogen-bonded Turntrans102.2-11.3176.800000116T82T82-G84 PolarHBondContact O-N 3.46Å
85L87Confident73.7Confident21 Ų2174.7 Ų74.711%0.1139%0.392CS..SBendtrans-87.4158.7169.2-61.8-170000111.6T82 I89 V91 Q101 I102 F160T82-L85 PolarHBondContact O-N 2.94Å; T82-L85 WeakPolarHBondContact OG1-CD1 3.45Å; T82-L85 WeakPolarHBondContact OG1-CG 3.41Å; L85-I89 HydrophobicContact CB-CB 4.35Å; L85-I89 HydrophobicContact CD1-CB 4.49Å; L85-I89 HydrophobicContact CD1-CG2 3.85Å; L85-V91 HydrophobicContact CD1-CG2 3.46Å; L85-V91 VanDerWaalsContact CD1-CG2 3.46Å; L85-Q101 HydrophobicContact CD2-CB 4.3Å; L85-I102 HydrophobicContact CD2-CB 4.21Å; L85-I102 HydrophobicContact CD2-CG1 3.59Å; L85-F160 HydrophobicContact CD1-CZ 4.18Å
86R88Confident75.4Confident93 Ų9366.9 Ų66.935%0.35136%0.363SS..  trans-56.7140.9170-97.9-179.5-155.4-74.5-9.4111.4E88 I89 E106R86-E88 WeakPolarHBondContact CB-OE2 3.44Å; R86-E88 PolarHBondContact O-N 3.07Å; R86-E88 VanDerWaalsContact O-N 3.07Å; R86-I89 HydrophobicContact CB-CG1 3.73Å; R86-I89 WeakPolarHBondContact O-CB 3.49Å; R86-I89 PolarHBondContact O-N 3.42Å; R86-E106 WeakPolarHBondContact CD-OE1 3.46Å; R86-E106 VanDerWaalsContact CG-OE1 3.24Å; R86-E106 WeakPolarHBondContact CG-OE1 3.32Å; R86-E106 IonicContact CZ-OE1 2.84Å; R86-E106 IonicContact CZ-OE2 2.72Å; R86-E106 VanDerWaalsContact CZ-OE2 3.24Å; R86-E106 IonicContact NE-OE1 3.68Å; R86-E106 PolarHBondContact NE-OE1 2.74Å; R86-E106 IonicContact NE-OE2 2.85Å; R86-E106 PolarHBondContact NE-OE2 2.99Å; R86-E106 IonicContact NH2-OE1 3.61Å; R86-E106 IonicContact NH2-OE2 3.5Å; R86-E106 PolarHBondContact NH2-OE2 2.78Å
87P83.8Confident77.3Confident101 Ų10169.1 Ų69.166%0.65638%0.378SS*.THydrogen-bonded Turntrans-56.6-23.2175.5-25.634.6000114.8I89 F90P87-I89 VanDerWaalsContact C-N 3.31Å; P87-F90 WeakPolarHBondContact O-CZ 3.36Å
88E85.6Confident79.2Confident66 Ų6667.3 Ų67.331%0.30837%0.369SS..THydrogen-bonded Turntrans-79.1-11.3177.3-58.888.2162.100113.8R86 F90 Y109R86-E88 WeakPolarHBondContact CB-OE2 3.44Å; R86-E88 PolarHBondContact O-N 3.07Å; R86-E88 VanDerWaalsContact O-N 3.07Å; E88-F90 WeakPolarHBondContact O-CD2 2.92Å; E88-Y109 HydrophobicContact CB-CD2 4.35Å; E88-Y109 HydrophobicContact CB-CE2 3.85Å; E88-Y109 HydrophobicContact CG-CE2 3.96Å
89I88.4Confident81.1Confident8 Ų864.8 Ų64.84%0.04136%0.364CS..EExtended strand (participates in β ladder)trans-95.3117.9-179.8-53.6-59.6000109.3L85 R86 P87 Y109 F162 I164L85-I89 HydrophobicContact CB-CB 4.35Å; L85-I89 HydrophobicContact CD1-CB 4.49Å; L85-I89 HydrophobicContact CD1-CG2 3.85Å; R86-I89 HydrophobicContact CB-CG1 3.73Å; R86-I89 WeakPolarHBondContact O-CB 3.49Å; R86-I89 PolarHBondContact O-N 3.42Å; P87-I89 VanDerWaalsContact C-N 3.31Å; I89-Y109 HydrophobicContact CD1-CD2 4.43Å; I89-F162 HydrophobicContact CD1-CD2 4.37Å; I89-F162 HydrophobicContact CG2-CB 3.88Å; I89-F162 HydrophobicContact CG2-CD2 3.97Å; I89-F162 HydrophobicContact CG2-CG 4.08Å; I89-I164 HydrophobicContact CD1-CD1 3.45Å; I89-I164 VanDerWaalsContact CD1-CD1 3.45Å; I89-I164 HydrophobicContact CD1-CG1 3.54Å
90F88.5Confident83.2Confident31 Ų3165.3 Ų65.314%0.13636%0.362CS..EExtended strand (participates in β ladder)trans-109.4108.8175.5-59.4-78.3000110.2R75 P76 P87 E88 I92 F162 K163R75-F90 HydrophobicContact CB-CE1 4.46Å; R75-F90 HydrophobicContact CB-CZ 4.2Å; R75-F90 HydrophobicContact CG-CE1 3.51Å; R75-F90 HydrophobicContact CG-CZ 3.58Å; P76-F90 HydrophobicContact CB-CG 4.49Å; P76-F90 VanDerWaalsContact CD-CZ 3.42Å; P76-F90 HydrophobicContact CG-CB 3.85Å; P76-F90 HydrophobicContact CG-CD1 4.04Å; P76-F90 HydrophobicContact CG-CD2 3.62Å; P76-F90 HydrophobicContact CG-CE2 4.18Å; P76-F90 HydrophobicContact CG-CG 3.53Å; P87-F90 WeakPolarHBondContact O-CZ 3.36Å; E88-F90 WeakPolarHBondContact O-CD2 2.92Å; F90-I92 PolarHBondContact O-N 3.03Å; F90-F162 CarbonylContact O-C 3.59Å; F90-F162 WeakPolarHBondContact O-CA 3.18Å; F90-F162 WeakPolarHBondContact O-CB 3.14Å; F90-K163 HydrophobicContact CB-CB 4.31Å; F90-K163 PolarHBondContact N-O 3.24Å; F90-K163 PolarHBondContact O-N 2.79Å
91V90.3Very high85.1Confident1 Ų160.9 Ų60.91%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-72.7125.5-179.9-179.30000110.1G79 I80 T82 L85 Q94 F160G79-V91 WeakPolarHBondContact CA-O 3.09Å; I80-V91 PolarHBondContact N-O 3.38Å; T82-V91 HydrophobicContact CG2-CG2 4.01Å; L85-V91 HydrophobicContact CD1-CG2 3.46Å; L85-V91 VanDerWaalsContact CD1-CG2 3.46Å; V91-Q94 HydrophobicContact CG1-CB 4.03Å; V91-Q94 HydrophobicContact CG1-CG 4.17Å; V91-F160 HydrophobicContact CB-CE2 4.5Å; V91-F160 HydrophobicContact CG1-CE2 3.95Å; V91-F160 HydrophobicContact CG2-CE2 3.9Å; V91-F160 HydrophobicContact CG2-CZ 4.24Å
92I91.8Very high87Confident71 Ų7157.7 Ų57.736%0.36431%0.314SS..EExtended strand (participates in β ladder)trans-95.3-42.6174.6-56168.7000109.9F90 Y148 H161 K163F90-I92 PolarHBondContact O-N 3.03Å; I92-Y148 HydrophobicContact CD1-CE1 4.09Å; I92-Y148 WeakPolarHBondContact CG2-OH 3.09Å; I92-H161 HydrophobicContact CB-CB 3.97Å; I92-H161 PolarHBondContact N-O 2.95Å; I92-K163 HydrophobicContact CD1-CB 4.3Å
93M91.4Very high88.8Confident55 Ų5561.5 Ų61.527%0.27133%0.329SS..EExtended strand (participates in β ladder)trans-154.6144.2178-176-85.8-84.500109.5E95 Y152 S159 F160 H161M93-E95 HydrophobicContact SD-CG 3.99Å; M93-Y152 WeakPolarHBondContact CE-OH 3.35Å; M93-S159 WeakPolarHBondContact CE-OG 3.19Å; M93-F160 WeakPolarHBondContact O-CD2 3.32Å; M93-H161 HydrophobicContact CB-CB 4.08Å; M93-H161 PolarHBondContact N-O 3.02Å; M93-H161 VanDerWaalsContact N-O 3.1Å; M93-H161 PolarHBondContact O-N 2.82Å; M93-H161 VanDerWaalsContact O-O 3.08Å
94Q90.1Very high90.2Very high76 Ų7655.3 Ų55.336%0.35529%0.291SS..EExtended strand (participates in β ladder)trans-143.6136.3179.158.4176.964.500112V91 Q101 F160V91-Q94 HydrophobicContact CG1-CB 4.03Å; V91-Q94 HydrophobicContact CG1-CG 4.17Å; Q94-Q101 VanDerWaalsContact OE1-OE1 3.12Å; Q94-F160 HydrophobicContact CB-CD2 3.95Å; Q94-F160 HydrophobicContact CB-CE2 4.23Å
95E90.6Very high90.9Very high70 Ų7052.6 Ų52.633%0.32726%0.263SS..  trans-127.1-16.6164.1-57-178.4-176.300112.5M93 H154 N157 S159M93-E95 HydrophobicContact SD-CG 3.99Å; E95-H154 IonicContact OE1-CE1 3.35Å; E95-H154 PolarHBondContact OE1-CE1 3.25Å; E95-H154 IonicContact OE1-NE2 2.93Å; E95-H154 PolarHBondContact OE1-NE2 2.95Å; E95-H154 IonicContact OE2-CD2 3.52Å; E95-H154 IonicContact OE2-CE1 3.88Å; E95-H154 IonicContact OE2-NE2 2.77Å; E95-H154 PolarHBondContact OE2-NE2 3.19Å; E95-N157 PolarHBondContact OE2-N 3.36Å; E95-N157 VanDerWaalsContact OE2-N 3.13Å; E95-S159 PolarHBondContact N-O 3.26Å
96L90.8Very high91.3Very high13 Ų1354.3 Ų54.37%0.06827%0.27CS..SBendtrans-66151.1177.2-76.4170.9000112.2D100 Q101 I104 W139 N157 S159 F160L96-D100 HydrophobicContact CB-CB 4.46Å; L96-D100 HydrophobicContact CD2-CB 4.41Å; L96-Q101 HydrophobicContact CB-CG 3.96Å; L96-Q101 PolarHBondContact O-NE2 3.38Å; L96-I104 HydrophobicContact CD1-CD1 3.29Å; L96-W139 HydrophobicContact CD1-CH2 4.49Å; L96-W139 HydrophobicContact CD2-CH2 4.3Å; L96-N157 WeakPolarHBondContact CD2-O 3.38Å; L96-S159 PolarHBondContact N-O 3.27Å; L96-F160 HydrophobicContact CD1-CB 3.64Å; L96-F160 HydrophobicContact CD1-CD1 4.44Å; L96-F160 HydrophobicContact CD1-CG 4.34Å; L96-F160 HydrophobicContact CG-CB 4.35Å
97P89.9Confident91.8Very high75 Ų7551.4 Ų51.449%0.48726%0.261SS..  trans-58.2147.2166.7-21.633.2000111.9Q99 D100 Q101P97-Q99 PolarHBondContact O-N 3.19Å; P97-Q99 VanDerWaalsContact O-N 3.13Å; P97-D100 PolarHBondContact O-N 2.65Å; P97-Q101 PolarHBondContact O-N 2.99Å
98L88.5Confident92.4Very high78 Ų7846.6 Ų46.641%0.40823%0.229SC..Hα-helixtrans-53.7-38.5-175.9179.261.4000113.4D100 Q101 I102L98-D100 VanDerWaalsContact C-N 3.27Å; L98-D100 PolarHBondContact O-N 2.85Å; L98-Q101 WeakPolarHBondContact O-CB 3.22Å; L98-Q101 PolarHBondContact O-N 3.44Å; L98-I102 HydrophobicContact CD1-CD1 4.37Å; L98-I102 HydrophobicContact CD1-CG1 4.38Å; L98-I102 HydrophobicContact CG-CD1 4.06Å; L98-I102 VanDerWaalsContact O-CG1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.49Å; L98-I102 PolarHBondContact O-N 3.15Å
99Q91.1Very high92.8Very high145 Ų14545.2 Ų45.268%0.67822%0.222SC*.Hα-helixtrans-61.1-36.3178.6-66.8-175.3-2.600112.6P97 K103P97-Q99 PolarHBondContact O-N 3.19Å; P97-Q99 VanDerWaalsContact O-N 3.13Å; Q99-K103 WeakPolarHBondContact O-CG 3.25Å; Q99-K103 PolarHBondContact O-N 3.48Å
100D93.9Very high93.1Very high34 Ų3451 Ų5118%0.18224%0.243CC..Hα-helixtrans-80.7-34.4178.3-68.3-33.3000111.5L96 P97 L98 I102 K103 I104 Y135L96-D100 HydrophobicContact CB-CB 4.46Å; L96-D100 HydrophobicContact CD2-CB 4.41Å; P97-D100 PolarHBondContact O-N 2.65Å; L98-D100 VanDerWaalsContact C-N 3.27Å; L98-D100 PolarHBondContact O-N 2.85Å; D100-I102 VanDerWaalsContact C-N 3.29Å; D100-I102 PolarHBondContact O-N 3.37Å; D100-K103 PolarHBondContact O-N 2.91Å; D100-I104 HydrophobicContact CB-CD1 4.4Å; D100-I104 WeakPolarHBondContact O-CB 3.41Å; D100-I104 WeakPolarHBondContact O-CD1 3.42Å; D100-I104 VanDerWaalsContact O-CG1 3.22Å; D100-I104 WeakPolarHBondContact O-CG1 3.24Å; D100-I104 PolarHBondContact O-N 3.37Å; D100-Y135 HydrophobicContact CB-CE1 4.27Å; D100-Y135 VanDerWaalsContact OD1-CE1 3.25Å; D100-Y135 WeakPolarHBondContact OD1-CE1 3.39Å; D100-Y135 PolarHBondContact OD1-OH 3.13Å
101Q94.6Very high93.4Very high4 Ų450.8 Ų50.82%0.01924%0.243CC..Hα-helixtrans-55.8-45.6169-62.3178.433.800111.2L85 Q94 L96 P97 L98 S105 F160L85-Q101 HydrophobicContact CD2-CB 4.3Å; Q94-Q101 VanDerWaalsContact OE1-OE1 3.12Å; L96-Q101 HydrophobicContact CB-CG 3.96Å; L96-Q101 PolarHBondContact O-NE2 3.38Å; P97-Q101 PolarHBondContact O-N 2.99Å; L98-Q101 WeakPolarHBondContact O-CB 3.22Å; L98-Q101 PolarHBondContact O-N 3.44Å; Q101-S105 VanDerWaalsContact O-CB 3.24Å; Q101-S105 WeakPolarHBondContact O-CB 3.09Å; Q101-S105 PolarHBondContact O-N 3.42Å; Q101-S105 PolarHBondContact O-OG 3.4Å; Q101-F160 HydrophobicContact CB-CE1 3.93Å; Q101-F160 HydrophobicContact CB-CE2 4.21Å; Q101-F160 HydrophobicContact CB-CZ 3.77Å; Q101-F160 HydrophobicContact CG-CD2 4.19Å; Q101-F160 HydrophobicContact CG-CE1 4.3Å; Q101-F160 HydrophobicContact CG-CE2 3.98Å; Q101-F160 HydrophobicContact CG-CG 4.46Å; Q101-F160 HydrophobicContact CG-CZ 4.05Å
102I94.2Very high93.4Very high57 Ų5751.5 Ų51.529%0.29225%0.247SC..Hα-helixtrans-58.8-54.9176.2-67.6162.1000110L85 L98 D100 I104 S105 E106L85-I102 HydrophobicContact CD2-CB 4.21Å; L85-I102 HydrophobicContact CD2-CG1 3.59Å; L98-I102 HydrophobicContact CD1-CD1 4.37Å; L98-I102 HydrophobicContact CD1-CG1 4.38Å; L98-I102 HydrophobicContact CG-CD1 4.06Å; L98-I102 VanDerWaalsContact O-CG1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.49Å; L98-I102 PolarHBondContact O-N 3.15Å; D100-I102 VanDerWaalsContact C-N 3.29Å; D100-I102 PolarHBondContact O-N 3.37Å; I102-I104 PolarHBondContact O-N 3.27Å; I102-S105 PolarHBondContact O-N 2.8Å; I102-S105 PolarHBondContact O-OG 2.96Å; I102-S105 VanDerWaalsContact O-OG 3.11Å; I102-E106 HydrophobicContact CG2-CG 4.35Å; I102-E106 WeakPolarHBondContact O-CB 3.24Å; I102-E106 VanDerWaalsContact O-CG 3.25Å; I102-E106 WeakPolarHBondContact O-CG 3.43Å; I102-E106 PolarHBondContact O-N 2.95Å
103K96.6Very high93.1Very high106 Ų10651.8 Ų51.846%0.46125%0.247SC..Hα-helixtrans-59.9-45.1-177.2-70.2170.5-175.9170.10112.8Q99 D100 E107 W130 Y135Q99-K103 WeakPolarHBondContact O-CG 3.25Å; Q99-K103 PolarHBondContact O-N 3.48Å; D100-K103 PolarHBondContact O-N 2.91Å; K103-E107 PolarHBondContact O-N 3.09Å; K103-W130 HydrophobicContact CB-CH2 4.17Å; K103-Y135 WeakPolarHBondContact CD-OH 3.37Å
104I97.8Very high92Very high0 Ų054.5 Ų54.50%027%0.269CS..Hα-helixtrans-69.6-43.9-177.1-67.4163.3000111.1L96 D100 I102 E107 A108 W130 L131 Y135 F160 F162 I171L96-I104 HydrophobicContact CD1-CD1 3.29Å; D100-I104 HydrophobicContact CB-CD1 4.4Å; D100-I104 WeakPolarHBondContact O-CB 3.41Å; D100-I104 WeakPolarHBondContact O-CD1 3.42Å; D100-I104 VanDerWaalsContact O-CG1 3.22Å; D100-I104 WeakPolarHBondContact O-CG1 3.24Å; D100-I104 PolarHBondContact O-N 3.37Å; I102-I104 PolarHBondContact O-N 3.27Å; I104-E107 PolarHBondContact O-N 3.13Å; I104-A108 WeakPolarHBondContact O-CB 3.21Å; I104-A108 PolarHBondContact O-N 3.28Å; I104-W130 HydrophobicContact CB-CZ3 4.45Å; I104-W130 HydrophobicContact CG1-CH2 4.19Å; I104-W130 HydrophobicContact CG1-CZ3 3.82Å; I104-L131 HydrophobicContact CD1-CD2 3.95Å; I104-L131 HydrophobicContact CG1-CD2 3.8Å; I104-L131 HydrophobicContact CG2-CD2 4.36Å; I104-Y135 HydrophobicContact CD1-CE2 4.13Å; I104-Y135 HydrophobicContact CG1-CE2 3.94Å; I104-F160 HydrophobicContact CB-CD1 4.44Å; I104-F160 HydrophobicContact CG2-CD1 4.14Å; I104-F162 HydrophobicContact CG2-CE1 4.24Å; I104-I171 HydrophobicContact CG2-CD1 3.57Å
105S96.3Very high91Very high0 Ų059.2 Ų59.20%029%0.291CS..Hα-helixtrans-68-35.8178.8620000112.3Q101 I102 A108 Y109Q101-S105 VanDerWaalsContact O-CB 3.24Å; Q101-S105 WeakPolarHBondContact O-CB 3.09Å; Q101-S105 PolarHBondContact O-N 3.42Å; Q101-S105 PolarHBondContact O-OG 3.4Å; I102-S105 PolarHBondContact O-N 2.8Å; I102-S105 PolarHBondContact O-OG 2.96Å; I102-S105 VanDerWaalsContact O-OG 3.11Å; S105-A108 PolarHBondContact O-N 3.11Å; S105-Y109 VanDerWaalsContact O-CB 3.24Å; S105-Y109 WeakPolarHBondContact O-CB 3.33Å; S105-Y109 PolarHBondContact O-N 3.34Å
106E95.6Very high90Very high56 Ų5662.6 Ų62.626%0.26231%0.311SS..Hα-helixtrans-64.4-44.2173-74.7-61.7135.900112R86 I102 Y109 R110R86-E106 WeakPolarHBondContact CD-OE1 3.46Å; R86-E106 VanDerWaalsContact CG-OE1 3.24Å; R86-E106 WeakPolarHBondContact CG-OE1 3.32Å; R86-E106 IonicContact CZ-OE1 2.84Å; R86-E106 IonicContact CZ-OE2 2.72Å; R86-E106 VanDerWaalsContact CZ-OE2 3.24Å; R86-E106 IonicContact NE-OE1 3.68Å; R86-E106 PolarHBondContact NE-OE1 2.74Å; R86-E106 IonicContact NE-OE2 2.85Å; R86-E106 PolarHBondContact NE-OE2 2.99Å; R86-E106 IonicContact NH2-OE1 3.61Å; R86-E106 IonicContact NH2-OE2 3.5Å; R86-E106 PolarHBondContact NH2-OE2 2.78Å; I102-E106 HydrophobicContact CG2-CG 4.35Å; I102-E106 WeakPolarHBondContact O-CB 3.24Å; I102-E106 VanDerWaalsContact O-CG 3.25Å; I102-E106 WeakPolarHBondContact O-CG 3.43Å; I102-E106 PolarHBondContact O-N 2.95Å; E106-Y109 PolarHBondContact O-N 3.42Å; E106-R110 WeakPolarHBondContact O-CB 3.49Å; E106-R110 PolarHBondContact O-N 3.21Å
107E97.4Very high89.6Confident32 Ų3270.7 Ų70.715%0.1535%0.346CS..Hα-helixtrans-65.3-41.7177.6-179.462.1-17500111.3K103 I104 R110 L111 L127 W130K103-E107 PolarHBondContact O-N 3.09Å; I104-E107 PolarHBondContact O-N 3.13Å; E107-R110 PolarHBondContact O-N 3.23Å; E107-R110 IonicContact OE1-CZ 3.66Å; E107-R110 IonicContact OE1-NE 2.77Å; E107-R110 IonicContact OE1-NH2 2.83Å; E107-R110 PolarHBondContact OE1-NH2 3.18Å; E107-R110 IonicContact OE2-CZ 3.45Å; E107-R110 IonicContact OE2-NE 3.22Å; E107-R110 PolarHBondContact OE2-NE 3.09Å; E107-R110 IonicContact OE2-NH2 3.63Å; E107-R110 PolarHBondContact OE2-NH2 2.84Å; E107-L111 WeakPolarHBondContact O-CG 3.42Å; E107-L111 PolarHBondContact O-N 3.06Å; E107-L111 VanDerWaalsContact O-N 3.09Å; E107-L127 HydrophobicContact CB-CD1 4.3Å; E107-L127 HydrophobicContact CG-CD1 3.91Å; E107-W130 HydrophobicContact CB-CD2 4.3Å; E107-W130 HydrophobicContact CB-CE3 4.24Å; E107-W130 HydrophobicContact CB-CH2 4.23Å; E107-W130 HydrophobicContact CB-CZ2 4.28Å; E107-W130 HydrophobicContact CB-CZ3 4.19Å; E107-W130 HydrophobicContact CG-CD2 3.73Å; E107-W130 HydrophobicContact CG-CE3 3.94Å; E107-W130 HydrophobicContact CG-CG 3.99Å; E107-W130 HydrophobicContact CG-CZ3 4.41Å
108A97Very high89.5Confident0 Ų069.1 Ų69.10%033%0.332CS..Hα-helixtrans-61.3-44.8172.600000111.7I104 S105 R110 L111 T112 L127 F162 I164 F169I104-A108 WeakPolarHBondContact O-CB 3.21Å; I104-A108 PolarHBondContact O-N 3.28Å; S105-A108 PolarHBondContact O-N 3.11Å; A108-R110 VanDerWaalsContact C-N 3.35Å; A108-R110 PolarHBondContact O-N 3.5Å; A108-L111 PolarHBondContact O-N 2.97Å; A108-T112 WeakPolarHBondContact O-CG2 3.35Å; A108-T112 PolarHBondContact O-N 3.4Å; A108-T112 VanDerWaalsContact O-N 3.15Å; A108-L127 HydrophobicContact CB-CD2 3.91Å; A108-F162 HydrophobicContact CB-CE2 3.72Å; A108-F162 HydrophobicContact CB-CZ 3.49Å; A108-F162 VanDerWaalsContact CB-CZ 3.49Å; A108-I164 HydrophobicContact CB-CD1 4.14Å; A108-F169 HydrophobicContact CB-CD1 4.08Å; A108-F169 HydrophobicContact CB-CE1 3.96Å; A108-F169 HydrophobicContact CB-CZ 4.39Å
109Y94.5Very high89.6Confident38 Ų3868.9 Ų68.915%0.14933%0.33CS..Hα-helixtrans-59.6-44.8177.1-178.2-95.9000111.5E88 I89 S105 E106 L111 T112 Q113 I164E88-Y109 HydrophobicContact CB-CD2 4.35Å; E88-Y109 HydrophobicContact CB-CE2 3.85Å; E88-Y109 HydrophobicContact CG-CE2 3.96Å; I89-Y109 HydrophobicContact CD1-CD2 4.43Å; S105-Y109 VanDerWaalsContact O-CB 3.24Å; S105-Y109 WeakPolarHBondContact O-CB 3.33Å; S105-Y109 PolarHBondContact O-N 3.34Å; E106-Y109 PolarHBondContact O-N 3.42Å; Y109-L111 VanDerWaalsContact C-N 3.29Å; Y109-L111 PolarHBondContact O-N 2.82Å; Y109-T112 WeakPolarHBondContact O-CA 3.34Å; Y109-T112 PolarHBondContact O-N 2.9Å; Y109-T112 PolarHBondContact O-OG1 2.84Å; Y109-Q113 HydrophobicContact CD1-CG 4.17Å; Y109-Q113 VanDerWaalsContact CE1-CD 3.48Å; Y109-Q113 HydrophobicContact CE1-CG 3.99Å; Y109-Q113 WeakPolarHBondContact O-CG 3.49Å; Y109-Q113 PolarHBondContact O-N 2.9Å; Y109-Q113 PolarHBondContact O-NE2 3.3Å; Y109-I164 HydrophobicContact CD2-CD1 4.39Å; Y109-I164 HydrophobicContact CD2-CG2 4.08Å
110R94.2Very high89.8Confident130 Ų13065.5 Ų65.549%0.49131%0.314SS..Hα-helixtrans-57.6-41.7175.8-169.6-171.569.877.70.2111.9E106 E107 A108 T112 Q113E106-R110 WeakPolarHBondContact O-CB 3.49Å; E106-R110 PolarHBondContact O-N 3.21Å; E107-R110 PolarHBondContact O-N 3.23Å; E107-R110 IonicContact OE1-CZ 3.66Å; E107-R110 IonicContact OE1-NE 2.77Å; E107-R110 IonicContact OE1-NH2 2.83Å; E107-R110 PolarHBondContact OE1-NH2 3.18Å; E107-R110 IonicContact OE2-CZ 3.45Å; E107-R110 IonicContact OE2-NE 3.22Å; E107-R110 PolarHBondContact OE2-NE 3.09Å; E107-R110 IonicContact OE2-NH2 3.63Å; E107-R110 PolarHBondContact OE2-NH2 2.84Å; A108-R110 VanDerWaalsContact C-N 3.35Å; A108-R110 PolarHBondContact O-N 3.5Å; R110-T112 PolarHBondContact O-N 2.72Å; R110-Q113 PolarHBondContact O-N 2.85Å
111L94.5Very high89.8Confident26 Ų2670.8 Ų70.814%0.13634%0.336CS..Hα-helixtrans-68.1-21.1176.7-67.5169.7000113.3E107 A108 Y109 F118 A123 K126 L127E107-L111 WeakPolarHBondContact O-CG 3.42Å; E107-L111 PolarHBondContact O-N 3.06Å; E107-L111 VanDerWaalsContact O-N 3.09Å; A108-L111 PolarHBondContact O-N 2.97Å; Y109-L111 VanDerWaalsContact C-N 3.29Å; Y109-L111 PolarHBondContact O-N 2.82Å; L111-F118 VanDerWaalsContact O-CD2 3.27Å; L111-F118 WeakPolarHBondContact O-CD2 3.27Å; L111-F118 WeakPolarHBondContact O-CE2 3.4Å; L111-A123 HydrophobicContact CB-CB 4.34Å; L111-K126 HydrophobicContact CD1-CB 4.18Å; L111-K126 HydrophobicContact CD2-CB 3.89Å; L111-K126 HydrophobicContact CD2-CD 3.94Å; L111-L127 HydrophobicContact CD1-CB 3.73Å; L111-L127 HydrophobicContact CD1-CD1 4.36Å
112T90.1Very high89.9Confident16 Ų1674.6 Ų74.610%0.09835%0.353CS..Hα-helixtrans-87.7-11.7173.867.10000113.9A108 Y109 R110 F118 I164 F169A108-T112 WeakPolarHBondContact O-CG2 3.35Å; A108-T112 PolarHBondContact O-N 3.4Å; A108-T112 VanDerWaalsContact O-N 3.15Å; Y109-T112 WeakPolarHBondContact O-CA 3.34Å; Y109-T112 PolarHBondContact O-N 2.9Å; Y109-T112 PolarHBondContact O-OG1 2.84Å; R110-T112 PolarHBondContact O-N 2.72Å; T112-F118 HydrophobicContact CG2-CD2 4.34Å; T112-F118 HydrophobicContact CG2-CE2 3.74Å; T112-F118 HydrophobicContact CG2-CZ 3.87Å; T112-I164 HydrophobicContact CG2-CD1 4.33Å; T112-I164 HydrophobicContact CG2-CG2 4.41Å; T112-F169 HydrophobicContact CG2-CE2 4.21Å; T112-F169 HydrophobicContact CG2-CZ 3.71Å
113Q86.5Confident90Very high76 Ų7672.1 Ų72.136%0.35534%0.341SS..SBendtrans-71.7141.1-179.2-64.6-48.6-64.800111.3Y109 R110 Q115Y109-Q113 HydrophobicContact CD1-CG 4.17Å; Y109-Q113 VanDerWaalsContact CE1-CD 3.48Å; Y109-Q113 HydrophobicContact CE1-CG 3.99Å; Y109-Q113 WeakPolarHBondContact O-CG 3.49Å; Y109-Q113 PolarHBondContact O-N 2.9Å; Y109-Q113 PolarHBondContact O-NE2 3.3Å; R110-Q113 PolarHBondContact O-N 2.85Å; Q113-Q115 PolarHBondContact O-N 3.21Å
114P67.6Low90Very high112 Ų11268.3 Ų68.373%0.72733%0.328SS*.SBendtrans-71.596.417928-32.2000110.4
115Q68.3Low90Very high175 Ų17572.4 Ų72.482%0.81835%0.347SS*.SBendtrans-93.6-39.1148.2-68.5-173.9-6.600109.3Q113Q113-Q115 PolarHBondContact O-N 3.21Å
116D69.9Low90.1Very high142 Ų14276.4 Ų76.476%0.75936%0.364SS*.SBendtrans-136.9-175.4171.6-72.3-55.9000109.2F118D116-F118 PolarHBondContact O-N 2.93Å
117K83.1Confident90.2Very high182 Ų18273.8 Ų73.879%0.79135%0.352SS*.  trans-54.3126.6169.2-178.5179.6177.5-177.60109.7I119K117-I119 PolarHBondContact O-N 3.06Å
118F87.3Confident90.3Very high43 Ų4375.7 Ų75.719%0.18936%0.36CS..  trans-61.4121.4171.1178.5-118.2000110.1L111 T112 D116 E120 A123 I143 H167 F169L111-F118 VanDerWaalsContact O-CD2 3.27Å; L111-F118 WeakPolarHBondContact O-CD2 3.27Å; L111-F118 WeakPolarHBondContact O-CE2 3.4Å; T112-F118 HydrophobicContact CG2-CD2 4.34Å; T112-F118 HydrophobicContact CG2-CE2 3.74Å; T112-F118 HydrophobicContact CG2-CZ 3.87Å; D116-F118 PolarHBondContact O-N 2.93Å; F118-E120 HydrophobicContact CD1-CG 4.43Å; F118-E120 HydrophobicContact CE1-CG 3.83Å; F118-E120 HydrophobicContact CZ-CG 4.46Å; F118-A123 HydrophobicContact CD2-CB 4.28Å; F118-A123 HydrophobicContact CE2-CB 3.36Å; F118-A123 HydrophobicContact CZ-CB 3.87Å; F118-I143 HydrophobicContact CZ-CD1 4.41Å; F118-H167 AromaticContact CD1-CE1 3.8Å; F118-H167 AromaticContact CD1-NE2 3.95Å; F118-H167 AromaticContact CE1-CD2 3.75Å; F118-H167 AromaticContact CE1-CE1 3.66Å; F118-H167 AromaticContact CE1-CG 3.91Å; F118-H167 AromaticContact CE1-ND1 3.9Å; F118-H167 AromaticContact CE1-NE2 3.58Å; F118-F169 HydrophobicContact CZ-CZ 4.38Å
119I92.1Very high90.3Very high73 Ų7382.4 Ų82.437%0.37439%0.385SS..  trans-116110.6177.7-62.4168.2000107.6K117 K121 E122 A123K117-I119 PolarHBondContact O-N 3.06Å; I119-K121 VanDerWaalsContact C-N 3.27Å; I119-K121 HydrophobicContact CG2-CB 4.4Å; I119-K121 PolarHBondContact O-N 2.74Å; I119-E122 HydrophobicContact CB-CB 4.29Å; I119-E122 HydrophobicContact CB-CG 4.2Å; I119-E122 HydrophobicContact CG2-CB 4.31Å; I119-E122 HydrophobicContact CG2-CG 3.94Å; I119-E122 PolarHBondContact O-N 2.79Å; I119-E122 VanDerWaalsContact O-N 3.1Å; I119-A123 PolarHBondContact O-N 3.04Å
120E94Very high90.5Very high73 Ų7383.8 Ų83.834%0.34139%0.39SS..Hα-helixtrans-56.7-41.2-173.4-67.584.8168.500112.2F118 E122 A123 S124 I143 H167F118-E120 HydrophobicContact CD1-CG 4.43Å; F118-E120 HydrophobicContact CE1-CG 3.83Å; F118-E120 HydrophobicContact CZ-CG 4.46Å; E120-E122 PolarHBondContact O-N 3.16Å; E120-A123 PolarHBondContact O-N 2.85Å; E120-S124 PolarHBondContact O-N 3.1Å; E120-S124 PolarHBondContact O-OG 2.95Å; E120-I143 HydrophobicContact CB-CG2 4.33Å; E120-I143 HydrophobicContact CG-CG2 4.08Å; E120-H167 IonicContact OE1-CD2 2.85Å; E120-H167 IonicContact OE1-CE1 2.78Å; E120-H167 IonicContact OE1-NE2 2.9Å; E120-H167 PolarHBondContact OE1-NE2 2.98Å
121K95.2Very high90.7Very high146 Ų14677.6 Ų77.664%0.63537%0.367SS*.Hα-helixtrans-60.8-45.4178.1-178.1-175.8173.4-173.30112.1I119 S124 E125I119-K121 VanDerWaalsContact C-N 3.27Å; I119-K121 HydrophobicContact CG2-CB 4.4Å; I119-K121 PolarHBondContact O-N 2.74Å; K121-S124 PolarHBondContact O-OG 3.1Å; K121-E125 WeakPolarHBondContact CE-OE1 3.24Å; K121-E125 WeakPolarHBondContact O-CG 3.32Å; K121-E125 PolarHBondContact O-N 3.24Å
122E95.3Very high90.9Very high84 Ų8478 Ų7839%0.39337%0.369SS..Hα-helixtrans-69.2-40.1180-70-171-160.800111.6I119 E120 S124 E125 K126I119-E122 HydrophobicContact CB-CB 4.29Å; I119-E122 HydrophobicContact CB-CG 4.2Å; I119-E122 HydrophobicContact CG2-CB 4.31Å; I119-E122 HydrophobicContact CG2-CG 3.94Å; I119-E122 PolarHBondContact O-N 2.79Å; I119-E122 VanDerWaalsContact O-N 3.1Å; E120-E122 PolarHBondContact O-N 3.16Å; E122-S124 VanDerWaalsContact C-N 3.34Å; E122-E125 PolarHBondContact O-N 2.75Å; E122-K126 VanDerWaalsContact O-CB 3.28Å; E122-K126 WeakPolarHBondContact O-CB 3.13Å; E122-K126 VanDerWaalsContact O-CG 3.22Å; E122-K126 WeakPolarHBondContact O-CG 3.48Å; E122-K126 PolarHBondContact O-N 3.01Å; E122-K126 IonicContact OE2-NZ 3.19Å; E122-K126 PolarHBondContact OE2-NZ 3.48Å
123A96.2Very high91.3Very high4 Ų483.1 Ų83.13%0.03340%0.4CS..Hα-helixtrans-62.3-42.917800000111.3L111 F118 I119 E120 K126 L127 I143L111-A123 HydrophobicContact CB-CB 4.34Å; F118-A123 HydrophobicContact CD2-CB 4.28Å; F118-A123 HydrophobicContact CE2-CB 3.36Å; F118-A123 HydrophobicContact CZ-CB 3.87Å; I119-A123 PolarHBondContact O-N 3.04Å; E120-A123 PolarHBondContact O-N 2.85Å; A123-K126 PolarHBondContact O-N 2.92Å; A123-L127 VanDerWaalsContact O-CB 3.23Å; A123-L127 WeakPolarHBondContact O-CB 3.22Å; A123-L127 PolarHBondContact O-N 2.87Å; A123-I143 HydrophobicContact CB-CD1 3.76Å
124S97.7Very high91.8Very high26 Ų2682.8 Ų82.818%0.18240%0.404CS..Hα-helixtrans-64-44.1177.770.10000111.8E120 K121 E122 K128E120-S124 PolarHBondContact O-N 3.1Å; E120-S124 PolarHBondContact O-OG 2.95Å; K121-S124 PolarHBondContact O-OG 3.1Å; E122-S124 VanDerWaalsContact C-N 3.34Å; S124-K128 VanDerWaalsContact O-CB 3.26Å; S124-K128 WeakPolarHBondContact O-CB 3.38Å; S124-K128 PolarHBondContact O-N 3.49Å
125E97.8Very high93.1Very high87 Ų8779.6 Ų79.641%0.40738%0.377SS..Hα-helixtrans-67.6-39.3178.3-71.8174.7-175.700113K121 E122 R129K121-E125 WeakPolarHBondContact CE-OE1 3.24Å; K121-E125 WeakPolarHBondContact O-CG 3.32Å; K121-E125 PolarHBondContact O-N 3.24Å; E122-E125 PolarHBondContact O-N 2.75Å; E125-R129 WeakPolarHBondContact O-CB 3.22Å; E125-R129 WeakPolarHBondContact O-CG 3.23Å; E125-R129 PolarHBondContact O-N 2.92Å; E125-R129 VanDerWaalsContact O-N 3.12Å; E125-R129 PolarHBondContact O-NE 3.44Å
126K97.6Very high94.4Very high84 Ų8472.5 Ų72.537%0.36535%0.352SS..Hα-helixtrans-66.8-47.1176.9-75.8166.6177.9161.40110.5L111 E122 A123 R129 W130L111-K126 HydrophobicContact CD1-CB 4.18Å; L111-K126 HydrophobicContact CD2-CB 3.89Å; L111-K126 HydrophobicContact CD2-CD 3.94Å; E122-K126 VanDerWaalsContact O-CB 3.28Å; E122-K126 WeakPolarHBondContact O-CB 3.13Å; E122-K126 VanDerWaalsContact O-CG 3.22Å; E122-K126 WeakPolarHBondContact O-CG 3.48Å; E122-K126 PolarHBondContact O-N 3.01Å; E122-K126 IonicContact OE2-NZ 3.19Å; E122-K126 PolarHBondContact OE2-NZ 3.48Å; A123-K126 PolarHBondContact O-N 2.92Å; K126-R129 PolarHBondContact O-N 3.33Å; K126-W130 PolarHBondContact O-N 3Å
127L98.3Very high95.6Very high0 Ų074.7 Ų74.70%035%0.349CS..Hα-helixtrans-64-43.8178.7-173.955.8000111.6E107 A108 L111 A123 R129 W130 L131 V141 F169 I171E107-L127 HydrophobicContact CB-CD1 4.3Å; E107-L127 HydrophobicContact CG-CD1 3.91Å; A108-L127 HydrophobicContact CB-CD2 3.91Å; L111-L127 HydrophobicContact CD1-CB 3.73Å; L111-L127 HydrophobicContact CD1-CD1 4.36Å; A123-L127 VanDerWaalsContact O-CB 3.23Å; A123-L127 WeakPolarHBondContact O-CB 3.22Å; A123-L127 PolarHBondContact O-N 2.87Å; L127-R129 PolarHBondContact O-N 3.38Å; L127-W130 HydrophobicContact CD1-CE3 4.13Å; L127-W130 PolarHBondContact O-N 2.76Å; L127-L131 HydrophobicContact CD1-CG 4.46Å; L127-L131 HydrophobicContact CG-CD1 4.12Å; L127-L131 WeakPolarHBondContact O-CB 3.42Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.27Å; L127-L131 PolarHBondContact O-N 2.89Å; L127-V141 HydrophobicContact CB-CG1 4.32Å; L127-V141 HydrophobicContact CB-CG2 4.47Å; L127-V141 HydrophobicContact CD2-CG1 3.93Å; L127-V141 HydrophobicContact CG-CG1 4.35Å; L127-V141 HydrophobicContact CG-CG2 4.25Å; L127-F169 HydrophobicContact CD2-CD1 3.89Å; L127-F169 HydrophobicContact CD2-CE1 4.21Å; L127-I171 HydrophobicContact CD2-CD1 3.7Å; L127-I171 HydrophobicContact CG-CD1 4.46Å
128K98.5Very high96.2Very high72 Ų7269.4 Ų69.431%0.31333%0.327SS..Hα-helixtrans-57.1-48.3175-172.7-161.7-178-30.80111.7S124 W130 L131 D132 W139 V141S124-K128 VanDerWaalsContact O-CB 3.26Å; S124-K128 WeakPolarHBondContact O-CB 3.38Å; S124-K128 PolarHBondContact O-N 3.49Å; K128-W130 VanDerWaalsContact C-N 3.33Å; K128-W130 PolarHBondContact O-N 3.28Å; K128-L131 PolarHBondContact O-N 2.85Å; K128-D132 IonicContact NZ-OD1 3.52Å; K128-D132 IonicContact NZ-OD2 2.65Å; K128-D132 PolarHBondContact NZ-OD2 2.92Å; K128-D132 WeakPolarHBondContact O-CB 3.47Å; K128-D132 PolarHBondContact O-N 2.83Å; K128-W139 WeakPolarHBondContact CE-O 2.99Å; K128-W139 WeakPolarHBondContact CG-O 3.41Å; K128-W139 PolarHBondContact NZ-O 3.35Å; K128-V141 HydrophobicContact CB-CB 4.39Å; K128-V141 HydrophobicContact CB-CG2 3.94Å
129R98.4Very high96.7Very high141 Ų14167.6 Ų67.653%0.53232%0.319SS..Hα-helixtrans-61.6-41.2179-80.5179.6-79162.8-14.6112.4E125 K126 L127 T133E125-R129 WeakPolarHBondContact O-CB 3.22Å; E125-R129 WeakPolarHBondContact O-CG 3.23Å; E125-R129 PolarHBondContact O-N 2.92Å; E125-R129 VanDerWaalsContact O-N 3.12Å; E125-R129 PolarHBondContact O-NE 3.44Å; K126-R129 PolarHBondContact O-N 3.33Å; L127-R129 PolarHBondContact O-N 3.38Å; R129-T133 WeakPolarHBondContact O-CB 3.28Å; R129-T133 PolarHBondContact O-N 3.42Å; R129-T133 VanDerWaalsContact O-N 3.09Å; R129-T133 PolarHBondContact O-OG1 3.34Å
130W98.4Very high97Very high67 Ų6767.2 Ų67.225%0.25432%0.316SS..Hα-helixtrans-64.7-44176.3178.288.5000111.6K103 I104 E107 K126 L127 K128 T133 T134 Y135K103-W130 HydrophobicContact CB-CH2 4.17Å; I104-W130 HydrophobicContact CB-CZ3 4.45Å; I104-W130 HydrophobicContact CG1-CH2 4.19Å; I104-W130 HydrophobicContact CG1-CZ3 3.82Å; E107-W130 HydrophobicContact CB-CD2 4.3Å; E107-W130 HydrophobicContact CB-CE3 4.24Å; E107-W130 HydrophobicContact CB-CH2 4.23Å; E107-W130 HydrophobicContact CB-CZ2 4.28Å; E107-W130 HydrophobicContact CB-CZ3 4.19Å; E107-W130 HydrophobicContact CG-CD2 3.73Å; E107-W130 HydrophobicContact CG-CE3 3.94Å; E107-W130 HydrophobicContact CG-CG 3.99Å; E107-W130 HydrophobicContact CG-CZ3 4.41Å; K126-W130 PolarHBondContact O-N 3Å; L127-W130 HydrophobicContact CD1-CE3 4.13Å; L127-W130 PolarHBondContact O-N 2.76Å; K128-W130 VanDerWaalsContact C-N 3.33Å; K128-W130 PolarHBondContact O-N 3.28Å; W130-T133 PolarHBondContact O-N 2.9Å; W130-T134 HydrophobicContact CZ2-CG2 4.3Å; W130-T134 VanDerWaalsContact O-CB 3.27Å; W130-T134 WeakPolarHBondContact O-CB 3.42Å; W130-T134 PolarHBondContact O-N 3.33Å; W130-T134 PolarHBondContact O-OG1 2.71Å; W130-Y135 AromaticContact CH2-CE2 3.83Å; W130-Y135 HydrophobicContact CH2-CE2 3.83Å; W130-Y135 AromaticContact CZ3-CE2 3.87Å; W130-Y135 HydrophobicContact CZ3-CE2 3.87Å
131L98.4Very high97.2Very high0 Ų064.6 Ų64.60%031%0.305CS..Hα-helixtrans-61.5-48.4175.2-73.8165000112.1I104 L127 K128 T133 T134 Y135 W139 V141 I171I104-L131 HydrophobicContact CD1-CD2 3.95Å; I104-L131 HydrophobicContact CG1-CD2 3.8Å; I104-L131 HydrophobicContact CG2-CD2 4.36Å; L127-L131 HydrophobicContact CD1-CG 4.46Å; L127-L131 HydrophobicContact CG-CD1 4.12Å; L127-L131 WeakPolarHBondContact O-CB 3.42Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.27Å; L127-L131 PolarHBondContact O-N 2.89Å; K128-L131 PolarHBondContact O-N 2.85Å; L131-T133 PolarHBondContact O-N 2.83Å; L131-T134 PolarHBondContact O-N 2.72Å; L131-Y135 HydrophobicContact CD2-CD2 3.9Å; L131-Y135 HydrophobicContact CD2-CE2 4.2Å; L131-Y135 PolarHBondContact O-N 2.95Å; L131-W139 HydrophobicContact CB-CB 3.84Å; L131-W139 HydrophobicContact CB-CD2 3.96Å; L131-W139 HydrophobicContact CB-CG 3.55Å; L131-W139 HydrophobicContact CD1-CB 4.11Å; L131-W139 HydrophobicContact CD1-CD2 4.24Å; L131-W139 HydrophobicContact CD1-CE3 4.17Å; L131-W139 HydrophobicContact CD1-CG 4.23Å; L131-W139 HydrophobicContact CD2-CD2 4.22Å; L131-W139 HydrophobicContact CD2-CE3 4.32Å; L131-W139 HydrophobicContact CG-CD2 4.39Å; L131-W139 HydrophobicContact CG-CG 4.37Å; L131-V141 HydrophobicContact CD1-CG2 3.54Å; L131-I171 HydrophobicContact CD1-CG2 3.51Å; L131-I171 HydrophobicContact CD2-CG2 4.48Å
132D98Very high97.4Very high35 Ų3560.7 Ų60.719%0.18729%0.293CS..Hα-helixtrans-60.1-33.4179.3-77.5-26.5000112.1K128 G136 R137 H138 W139K128-D132 IonicContact NZ-OD1 3.52Å; K128-D132 IonicContact NZ-OD2 2.65Å; K128-D132 PolarHBondContact NZ-OD2 2.92Å; K128-D132 WeakPolarHBondContact O-CB 3.47Å; K128-D132 PolarHBondContact O-N 2.83Å; D132-G136 WeakPolarHBondContact CA-O 3.3Å; D132-G136 CarbonylContact O-C 3.11Å; D132-G136 WeakPolarHBondContact O-CA 3.38Å; D132-G136 PolarHBondContact O-N 3.02Å; D132-R137 WeakPolarHBondContact OD1-CA 3.25Å; D132-H138 PolarHBondContact OD1-N 2.87Å; D132-W139 PolarHBondContact OD1-N 3.44Å
133T97.8Very high97.5Very high123 Ų12358 Ų5876%0.75528%0.281SS*.Hα-helixtrans-78.4-40.2178.6-580000111.8R129 W130 L131R129-T133 WeakPolarHBondContact O-CB 3.28Å; R129-T133 PolarHBondContact O-N 3.42Å; R129-T133 VanDerWaalsContact O-N 3.09Å; R129-T133 PolarHBondContact O-OG1 3.34Å; W130-T133 PolarHBondContact O-N 2.9Å; L131-T133 PolarHBondContact O-N 2.83Å
134T97.2Very high97.5Very high69 Ų6959.3 Ų59.342%0.42329%0.289SS..Hα-helixtrans-84.4-37.9-172.7-54.10000112.5W130 L131W130-T134 HydrophobicContact CZ2-CG2 4.3Å; W130-T134 VanDerWaalsContact O-CB 3.27Å; W130-T134 WeakPolarHBondContact O-CB 3.42Å; W130-T134 PolarHBondContact O-N 3.33Å; W130-T134 PolarHBondContact O-OG1 2.71Å; L131-T134 PolarHBondContact O-N 2.72Å
135Y95.4Very high97.2Very high45 Ų4566.3 Ų66.318%0.17631%0.311CS..SBendtrans-119.72.6-171.1-61.9-75.7000113.3D100 K103 I104 W130 L131 W139 R173D100-Y135 HydrophobicContact CB-CE1 4.27Å; D100-Y135 VanDerWaalsContact OD1-CE1 3.25Å; D100-Y135 WeakPolarHBondContact OD1-CE1 3.39Å; D100-Y135 PolarHBondContact OD1-OH 3.13Å; K103-Y135 WeakPolarHBondContact CD-OH 3.37Å; I104-Y135 HydrophobicContact CD1-CE2 4.13Å; I104-Y135 HydrophobicContact CG1-CE2 3.94Å; W130-Y135 AromaticContact CH2-CE2 3.83Å; W130-Y135 HydrophobicContact CH2-CE2 3.83Å; W130-Y135 AromaticContact CZ3-CE2 3.87Å; W130-Y135 HydrophobicContact CZ3-CE2 3.87Å; L131-Y135 HydrophobicContact CD2-CD2 3.9Å; L131-Y135 HydrophobicContact CD2-CE2 4.2Å; L131-Y135 PolarHBondContact O-N 2.95Å; Y135-W139 HydrophobicContact CG-CZ2 4.18Å; Y135-R173 PolarHBondContact O-NH1 3.49Å
136G95.4Very high96.8Very high27 Ų2764.2 Ų64.228%0.27831%0.313SS..  trans87.5164.1-175.500000113D132 W139 R173D132-G136 WeakPolarHBondContact CA-O 3.3Å; D132-G136 CarbonylContact O-C 3.11Å; D132-G136 WeakPolarHBondContact O-CA 3.38Å; D132-G136 PolarHBondContact O-N 3.02Å; G136-W139 PolarHBondContact O-NE1 3.06Å; G136-R173 VanDerWaalsContact C-NH2 3.34Å
137R95.6Very high96.4Very high187 Ų18765 Ų6571%0.70633%0.329SS*.SBendtrans-68.7166.4-166.2-61.2-176.1-178.8-174.80.6115.3D132 R173D132-R137 WeakPolarHBondContact OD1-CA 3.25Å; R137-R173 PolarHBondContact O-NE 2.9Å; R137-R173 PolarHBondContact O-NH2 2.84Å; R137-R173 VanDerWaalsContact O-NH2 3.09Å
138H96.2Very high96.2Very high72 Ų7267.7 Ų67.733%0.33334%0.339SS..  trans79.932.8173.7-45.3123000114.6D132 H140 R173 T174 A176D132-H138 PolarHBondContact OD1-N 2.87Å; H138-H140 PolarHBondContact O-CD2 2.77Å; H138-R173 WeakPolarHBondContact O-CA 3.37Å; H138-T174 WeakPolarHBondContact CB-O 3.11Å; H138-T174 PolarHBondContact O-N 2.93Å; H138-A176 VanDerWaalsContact CE1-CA 3.46Å; H138-A176 WeakPolarHBondContact CE1-CA 3.13Å; H138-A176 WeakPolarHBondContact CE1-CB 3.47Å; H138-A176 WeakPolarHBondContact ND1-CA 3.43Å
139W98.2Very high96.1Very high4 Ų475.1 Ų75.12%0.01537%0.366CS..EExtended strand (participates in β ladder)trans-75.4143.8164.6-70.790.3000111.6L96 K128 L131 D132 Y135 G136 C158 I171 R173L96-W139 HydrophobicContact CD1-CH2 4.49Å; L96-W139 HydrophobicContact CD2-CH2 4.3Å; K128-W139 WeakPolarHBondContact CE-O 2.99Å; K128-W139 WeakPolarHBondContact CG-O 3.41Å; K128-W139 PolarHBondContact NZ-O 3.35Å; L131-W139 HydrophobicContact CB-CB 3.84Å; L131-W139 HydrophobicContact CB-CD2 3.96Å; L131-W139 HydrophobicContact CB-CG 3.55Å; L131-W139 HydrophobicContact CD1-CB 4.11Å; L131-W139 HydrophobicContact CD1-CD2 4.24Å; L131-W139 HydrophobicContact CD1-CE3 4.17Å; L131-W139 HydrophobicContact CD1-CG 4.23Å; L131-W139 HydrophobicContact CD2-CD2 4.22Å; L131-W139 HydrophobicContact CD2-CE3 4.32Å; L131-W139 HydrophobicContact CG-CD2 4.39Å; L131-W139 HydrophobicContact CG-CG 4.37Å; D132-W139 PolarHBondContact OD1-N 3.44Å; Y135-W139 HydrophobicContact CG-CZ2 4.18Å; G136-W139 PolarHBondContact O-NE1 3.06Å; W139-C158 HydrophobicContact CH2-CB 4.18Å; W139-I171 HydrophobicContact CE3-CG2 3.59Å; W139-I171 HydrophobicContact CZ3-CG2 3.77Å; W139-R173 HydrophobicContact CD2-CB 3.9Å; W139-R173 HydrophobicContact CD2-CG 4.16Å; W139-R173 HydrophobicContact CE3-CB 3.93Å; W139-R173 HydrophobicContact CG-CB 4.49Å; W139-R173 HydrophobicContact CG-CG 4.34Å; W139-R173 HydrophobicContact CH2-CB 4.26Å; W139-R173 HydrophobicContact CZ2-CB 4.22Å; W139-R173 HydrophobicContact CZ3-CB 4.1Å
140H98.2Very high96Very high66 Ų6671.6 Ų71.631%0.30636%0.36SS..EExtended strand (participates in β ladder)trans-114135.7171.9-59.7-91000107.8H138 I171 Y172 T174H138-H140 PolarHBondContact O-CD2 2.77Å; H140-I171 WeakPolarHBondContact O-CA 3.26Å; H140-Y172 HydrophobicContact CB-CD1 4.25Å; H140-Y172 HydrophobicContact CB-CD2 4.18Å; H140-Y172 HydrophobicContact CB-CE1 3.83Å; H140-Y172 HydrophobicContact CB-CE2 3.75Å; H140-Y172 HydrophobicContact CB-CG 4.41Å; H140-Y172 AromaticContact CD2-CD2 3.92Å; H140-Y172 AromaticContact CD2-CE2 3.52Å; H140-Y172 AromaticContact CG-CE2 3.65Å; H140-Y172 AromaticContact CG-CZ 3.81Å; H140-Y172 PolarHBondContact N-O 2.84Å; H140-Y172 PolarHBondContact O-N 3.09Å; H140-T174 VanDerWaalsContact NE2-CG2 3.3Å; H140-T174 WeakPolarHBondContact NE2-CG2 3.36Å; H140-T174 PolarHBondContact NE2-OG1 2.77Å
141V98.4Very high95.8Very high18 Ų1875.1 Ų75.111%0.10939%0.389CS..EExtended strand (participates in β ladder)trans-132.8114.8178.4178.70000108.1L127 K128 L131 I143 I171L127-V141 HydrophobicContact CB-CG1 4.32Å; L127-V141 HydrophobicContact CB-CG2 4.47Å; L127-V141 HydrophobicContact CD2-CG1 3.93Å; L127-V141 HydrophobicContact CG-CG1 4.35Å; L127-V141 HydrophobicContact CG-CG2 4.25Å; K128-V141 HydrophobicContact CB-CB 4.39Å; K128-V141 HydrophobicContact CB-CG2 3.94Å; L131-V141 HydrophobicContact CD1-CG2 3.54Å; V141-I143 HydrophobicContact CG1-CG1 4.35Å; V141-I171 HydrophobicContact CG2-CG1 4.43Å; V141-I171 HydrophobicContact CG2-CG2 4.46Å
142T98.1Very high95.5Very high64 Ų6477.8 Ų77.839%0.39340%0.399SS..EExtended strand (participates in β ladder)trans-114.8127.9173.1-57.90000108.9V144 I170T142-V144 HydrophobicContact CG2-CG2 3.81Å; T142-I170 PolarHBondContact N-O 3.45Å; T142-I170 PolarHBondContact O-N 2.83Å
143I97.7Very high95.3Very high28 Ų2882.1 Ų82.114%0.14443%0.427CS..EExtended strand (participates in β ladder)trans-109.4118.6174.6-58-180000107.6F118 E120 A123 V141 H167 S168 F169F118-I143 HydrophobicContact CZ-CD1 4.41Å; E120-I143 HydrophobicContact CB-CG2 4.33Å; E120-I143 HydrophobicContact CG-CG2 4.08Å; A123-I143 HydrophobicContact CB-CD1 3.76Å; V141-I143 HydrophobicContact CG1-CG1 4.35Å; I143-H167 HydrophobicContact CG2-CB 3.97Å; I143-S168 CarbonylContact C-O 3.17Å; I143-S168 WeakPolarHBondContact CA-O 3.5Å; I143-F169 HydrophobicContact CD1-CD1 4.04Å; I143-F169 HydrophobicContact CD1-CE1 3.47Å; I143-F169 VanDerWaalsContact CD1-CE1 3.47Å; I143-F169 HydrophobicContact CD1-CZ 4.08Å; I143-F169 HydrophobicContact CG1-CD1 3.83Å; I143-F169 HydrophobicContact CG1-CE1 3.76Å; I143-F169 HydrophobicContact CG1-CZ 4.42Å
144V96.3Very high95.2Very high30 Ų3078.3 Ų78.318%0.18240%0.401CS..EExtended strand (participates in β ladder)trans-114.9127.8-177.5-1760000110.1T142 H167 S168 I170T142-V144 HydrophobicContact CG2-CG2 3.81Å; V144-H167 CarbonylContact O-C 3.39Å; V144-H167 WeakPolarHBondContact O-CA 3.47Å; V144-S168 PolarHBondContact N-O 3.29Å; V144-S168 PolarHBondContact O-N 3.09Å; V144-I170 HydrophobicContact CG2-CD1 4Å
145R91.7Very high95Very high174 Ų17477 Ų7766%0.65739%0.391SS*.EExtended strand (participates in β ladder)trans-95.6101.6164.5-170.5178.9-178.2-165.1-0.8109.2Q166R145-Q166 HydrophobicContact CG-CB 4.38Å
146G88.6Confident94.8Very high43 Ų4379.4 Ų79.444%0.44341%0.412SS..SBendtrans123.8-154.1-178.400000113.4
147S89.7Confident94.5Very high100 Ų10083.1 Ų83.170%0.69943%0.426SS*.  trans-89.8149.9179.5-56.30000111.4
148Y94.7Very high94.5Very high56 Ų5675.3 Ų75.322%0.2240%0.399CS..  trans-141.8155.9176.868.9-90.9000111.5I92 T150 H161 I170I92-Y148 HydrophobicContact CD1-CE1 4.09Å; I92-Y148 WeakPolarHBondContact CG2-OH 3.09Å; Y148-T150 HydrophobicContact CD2-CG2 4.08Å; Y148-T150 HydrophobicContact CE2-CG2 3.97Å; Y148-H161 AromaticContact CE2-ND1 3.98Å; Y148-H161 AromaticContact CZ-ND1 3.9Å; Y148-H161 PolarHBondContact OH-ND1 3.12Å; Y148-H161 VanDerWaalsContact OH-ND1 3.16Å; Y148-I170 HydrophobicContact CD1-CD1 4.05Å; Y148-I170 HydrophobicContact CD2-CD1 3.54Å; Y148-I170 HydrophobicContact CD2-CG1 4.47Å; Y148-I170 HydrophobicContact CE1-CD1 4.11Å; Y148-I170 HydrophobicContact CE1-CG1 4.29Å; Y148-I170 HydrophobicContact CE2-CD1 3.64Å; Y148-I170 HydrophobicContact CE2-CG1 4.11Å; Y148-I170 HydrophobicContact CG-CD1 3.77Å
149W96.3Very high94.5Very high229 Ų22971.9 Ų71.987%0.86738%0.384SS*.  trans-129.3137167.1-65.1-99.3000106.5
150T95.4Very high94.5Very high66 Ų6671.7 Ų71.741%0.40538%0.383SS..  trans-146.2144.1-174.8-169.90000111.2Y148 Y152Y148-T150 HydrophobicContact CD2-CG2 4.08Å; Y148-T150 HydrophobicContact CE2-CG2 3.97Å; T150-Y152 HydrophobicContact CG2-CD1 4.04Å; T150-Y152 HydrophobicContact CG2-CE1 3.83Å
151T94.1Very high94.4Very high142 Ų14268.9 Ų68.987%0.87137%0.37SS*.  trans-130.3130.4167.948.60000107.1
152Y93.5Very high94.2Very high55 Ų5568 Ų6822%0.21637%0.365CS..  trans-155.8163.2177.558.9-96.4000110.5M93 T150 H154 S159 H161 Y172M93-Y152 WeakPolarHBondContact CE-OH 3.35Å; T150-Y152 HydrophobicContact CG2-CD1 4.04Å; T150-Y152 HydrophobicContact CG2-CE1 3.83Å; Y152-H154 HydrophobicContact CD2-CB 3.95Å; Y152-H154 AromaticContact CD2-CG 3.97Å; Y152-H154 AromaticContact CD2-ND1 3.5Å; Y152-H154 HydrophobicContact CE2-CB 3.95Å; Y152-H154 AromaticContact CE2-CE1 3.79Å; Y152-H154 AromaticContact CE2-CG 3.6Å; Y152-H154 AromaticContact CE2-ND1 3.18Å; Y152-H154 WeakPolarHBondContact CE2-ND1 3.36Å; Y152-S159 PolarHBondContact OH-OG 2.86Å; Y152-H161 AromaticContact CE1-CE1 3.79Å; Y152-H161 AromaticContact CE1-NE2 3.59Å; Y152-H161 AromaticContact CZ-NE2 3.5Å; Y152-H161 PolarHBondContact OH-CE1 3.44Å; Y152-H161 PolarHBondContact OH-NE2 3.17Å; Y152-Y172 HydrophobicContact CD1-CD1 4.46Å; Y152-Y172 HydrophobicContact CD1-CE1 4.38Å; Y152-Y172 HydrophobicContact CD2-CD1 4.29Å; Y152-Y172 AromaticContact CD2-CD2 3.98Å; Y152-Y172 HydrophobicContact CD2-CD2 3.98Å; Y152-Y172 HydrophobicContact CD2-CE2 4.32Å; Y152-Y172 AromaticContact CD2-CG 3.97Å; Y152-Y172 HydrophobicContact CD2-CG 3.97Å; Y152-Y172 HydrophobicContact CE1-CD1 4.34Å; Y152-Y172 HydrophobicContact CE2-CD1 4.17Å; Y152-Y172 HydrophobicContact CE2-CD2 4.3Å; Y152-Y172 AromaticContact CE2-CG 3.86Å; Y152-Y172 HydrophobicContact CE2-CG 3.86Å; Y152-Y172 HydrophobicContact CG-CD1 4.43Å; Y152-Y172 HydrophobicContact CG-CE1 4.36Å; Y152-Y172 HydrophobicContact CG-CE2 4.43Å
153T94Very high94Very high127 Ų12767.8 Ų67.878%0.77936%0.358SS*.  trans-111.9132.4168.1-57.10000108
154H94.3Very high93.7Very high43 Ų4366.5 Ų66.520%0.19935%0.351CS..  trans-137167.2-179.461.9-67.7000110.6E95 Y152 S159 Y172 R173E95-H154 IonicContact OE1-CE1 3.35Å; E95-H154 PolarHBondContact OE1-CE1 3.25Å; E95-H154 IonicContact OE1-NE2 2.93Å; E95-H154 PolarHBondContact OE1-NE2 2.95Å; E95-H154 IonicContact OE2-CD2 3.52Å; E95-H154 IonicContact OE2-CE1 3.88Å; E95-H154 IonicContact OE2-NE2 2.77Å; E95-H154 PolarHBondContact OE2-NE2 3.19Å; Y152-H154 HydrophobicContact CD2-CB 3.95Å; Y152-H154 AromaticContact CD2-CG 3.97Å; Y152-H154 AromaticContact CD2-ND1 3.5Å; Y152-H154 HydrophobicContact CE2-CB 3.95Å; Y152-H154 AromaticContact CE2-CE1 3.79Å; Y152-H154 AromaticContact CE2-CG 3.6Å; Y152-H154 AromaticContact CE2-ND1 3.18Å; Y152-H154 WeakPolarHBondContact CE2-ND1 3.36Å; H154-S159 VanDerWaalsContact CD2-CB 3.47Å; H154-S159 WeakPolarHBondContact CD2-CB 3.39Å; H154-Y172 HydrophobicContact CB-CD2 4.03Å; H154-Y172 HydrophobicContact CB-CG 4.41Å; H154-R173 CarbonylContact C-O 3.6Å; H154-R173 VanDerWaalsContact CA-O 3.29Å; H154-R173 WeakPolarHBondContact CA-O 3.22Å; H154-R173 VanDerWaalsContact CB-O 3.26Å; H154-R173 WeakPolarHBondContact CB-O 3.46Å
155I93.1Very high93.3Very high41 Ų4168.1 Ų68.121%0.2136%0.359CS..  trans-66.5133.5171.2-62.3176.8000108.3C158 R173 T174 N175I155-C158 HydrophobicContact CB-CB 4.13Å; I155-C158 HydrophobicContact CG2-CB 4.45Å; I155-C158 VanDerWaalsContact O-CB 3.32Å; I155-C158 WeakPolarHBondContact O-CB 3.2Å; I155-C158 PolarHBondContact O-N 2.94Å; I155-C158 VanDerWaalsContact O-N 3.14Å; I155-R173 HydrophobicContact CD1-CG 4.13Å; I155-R173 PolarHBondContact N-O 3.39Å; I155-T174 WeakPolarHBondContact CD1-O 3.39Å; I155-N175 WeakPolarHBondContact CD1-OD1 3.26Å; I155-N175 VanDerWaalsContact CG1-OD1 3.32Å; I155-N175 WeakPolarHBondContact CG1-OD1 3.46Å
156P90.7Very high93Very high96 Ų9662.9 Ų62.962%0.62334%0.342SS*.THydrogen-bonded Turntrans-51.4143.2177-27.734.8000112.9C158P156-C158 PolarHBondContact O-N 2.92Å; P156-C158 VanDerWaalsContact O-N 3.16Å; P156-C158 PolarHBondContact O-SG 3.23Å
157N90.4Very high93.3Very high105 Ų10561.9 Ų61.956%0.56133%0.326SS*.THydrogen-bonded Turntrans63.413.3-179.9-49.1-51.1000114.3E95 L96E95-N157 PolarHBondContact OE2-N 3.36Å; E95-N157 VanDerWaalsContact OE2-N 3.13Å; L96-N157 WeakPolarHBondContact CD2-O 3.38Å
158C95.1Very high93.6Very high23 Ų2357.4 Ų57.416%0.15529%0.294CS..  trans-119.537.3-178.8-58.40000111.8W139 I155 P156 Y172 R173W139-C158 HydrophobicContact CH2-CB 4.18Å; I155-C158 HydrophobicContact CB-CB 4.13Å; I155-C158 HydrophobicContact CG2-CB 4.45Å; I155-C158 VanDerWaalsContact O-CB 3.32Å; I155-C158 WeakPolarHBondContact O-CB 3.2Å; I155-C158 PolarHBondContact O-N 2.94Å; I155-C158 VanDerWaalsContact O-N 3.14Å; P156-C158 PolarHBondContact O-N 2.92Å; P156-C158 VanDerWaalsContact O-N 3.16Å; P156-C158 PolarHBondContact O-SG 3.23Å; C158-Y172 CarbonylContact O-C 3.55Å; C158-Y172 WeakPolarHBondContact O-CA 3.45Å; C158-R173 HydrophobicContact CB-CB 3.67Å; C158-R173 PolarHBondContact O-N 3.05Å
159S96.9Very high93.7Very high0 Ų054.7 Ų54.70%028%0.284CS..EExtended strand (participates in β ladder)trans-131.5142.5173-171.50000112.7M93 E95 L96 Y152 H154 I171M93-S159 WeakPolarHBondContact CE-OG 3.19Å; E95-S159 PolarHBondContact N-O 3.26Å; L96-S159 PolarHBondContact N-O 3.27Å; Y152-S159 PolarHBondContact OH-OG 2.86Å; H154-S159 VanDerWaalsContact CD2-CB 3.47Å; H154-S159 WeakPolarHBondContact CD2-CB 3.39Å; S159-I171 CarbonylContact C-O 3.49Å; S159-I171 WeakPolarHBondContact CA-O 3.4Å; S159-I171 PolarHBondContact OG-O 2.97Å
160F96.8Very high93.8Very high0 Ų044.1 Ų44.10%024%0.244CC..EExtended strand (participates in β ladder)trans-155.4122.2178.2-176.2-143.5000111.1L85 V91 M93 Q94 L96 Q101 I104 F162 I171L85-F160 HydrophobicContact CD1-CZ 4.18Å; V91-F160 HydrophobicContact CB-CE2 4.5Å; V91-F160 HydrophobicContact CG1-CE2 3.95Å; V91-F160 HydrophobicContact CG2-CE2 3.9Å; V91-F160 HydrophobicContact CG2-CZ 4.24Å; M93-F160 WeakPolarHBondContact O-CD2 3.32Å; Q94-F160 HydrophobicContact CB-CD2 3.95Å; Q94-F160 HydrophobicContact CB-CE2 4.23Å; L96-F160 HydrophobicContact CD1-CB 3.64Å; L96-F160 HydrophobicContact CD1-CD1 4.44Å; L96-F160 HydrophobicContact CD1-CG 4.34Å; L96-F160 HydrophobicContact CG-CB 4.35Å; Q101-F160 HydrophobicContact CB-CE1 3.93Å; Q101-F160 HydrophobicContact CB-CE2 4.21Å; Q101-F160 HydrophobicContact CB-CZ 3.77Å; Q101-F160 HydrophobicContact CG-CD2 4.19Å; Q101-F160 HydrophobicContact CG-CE1 4.3Å; Q101-F160 HydrophobicContact CG-CE2 3.98Å; Q101-F160 HydrophobicContact CG-CG 4.46Å; Q101-F160 HydrophobicContact CG-CZ 4.05Å; I104-F160 HydrophobicContact CB-CD1 4.44Å; I104-F160 HydrophobicContact CG2-CD1 4.14Å; F160-F162 AromaticContact CD1-CD1 3.48Å; F160-F162 HydrophobicContact CD1-CD1 3.48Å; F160-F162 VanDerWaalsContact CD1-CD1 3.48Å; F160-F162 AromaticContact CD1-CE1 3.59Å; F160-F162 HydrophobicContact CD1-CE1 3.59Å; F160-F162 HydrophobicContact CD2-CD1 4.29Å; F160-F162 AromaticContact CE1-CD1 3.26Å; F160-F162 HydrophobicContact CE1-CD1 3.26Å; F160-F162 AromaticContact CE1-CE1 3.54Å; F160-F162 HydrophobicContact CE1-CE1 3.54Å; F160-F162 HydrophobicContact CE1-CG 4.14Å; F160-F162 HydrophobicContact CE2-CB 4.36Å; F160-F162 HydrophobicContact CE2-CD1 4.11Å; F160-F162 AromaticContact CG-CD1 3.99Å; F160-F162 HydrophobicContact CG-CD1 3.99Å; F160-F162 HydrophobicContact CG-CE1 4.41Å; F160-F162 HydrophobicContact CZ-CB 4.17Å; F160-F162 AromaticContact CZ-CD1 3.6Å; F160-F162 HydrophobicContact CZ-CD1 3.6Å; F160-F162 HydrophobicContact CZ-CE1 4.33Å; F160-F162 HydrophobicContact CZ-CG 4.12Å; F160-I171 PolarHBondContact N-O 2.94Å; F160-I171 WeakPolarHBondContact O-CB 3.32Å; F160-I171 PolarHBondContact O-N 2.65Å
161H97Very high93.9Very high7 Ų741 Ų413%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-117.9128.1176.3-65.1-158.3000109.5I92 M93 Y148 Y152 F169 I170I92-H161 HydrophobicContact CB-CB 3.97Å; I92-H161 PolarHBondContact N-O 2.95Å; M93-H161 HydrophobicContact CB-CB 4.08Å; M93-H161 PolarHBondContact N-O 3.02Å; M93-H161 VanDerWaalsContact N-O 3.1Å; M93-H161 PolarHBondContact O-N 2.82Å; M93-H161 VanDerWaalsContact O-O 3.08Å; Y148-H161 AromaticContact CE2-ND1 3.98Å; Y148-H161 AromaticContact CZ-ND1 3.9Å; Y148-H161 PolarHBondContact OH-ND1 3.12Å; Y148-H161 VanDerWaalsContact OH-ND1 3.16Å; Y152-H161 AromaticContact CE1-CE1 3.79Å; Y152-H161 AromaticContact CE1-NE2 3.59Å; Y152-H161 AromaticContact CZ-NE2 3.5Å; Y152-H161 PolarHBondContact OH-CE1 3.44Å; Y152-H161 PolarHBondContact OH-NE2 3.17Å; H161-F169 VanDerWaalsContact CA-O 3.24Å; H161-F169 WeakPolarHBondContact CA-O 3.36Å; H161-I170 VanDerWaalsContact CE1-CG2 3.5Å; H161-I170 WeakPolarHBondContact CE1-CG2 3.42Å; H161-I170 WeakPolarHBondContact NE2-CG2 3.29Å
162F94.9Very high94.1Very high0 Ų036.1 Ų36.10%019%0.191CC..EExtended strand (participates in β ladder)trans-148.8166.7175.959.8-86.1000110.4I89 F90 I104 A108 F160 I164 S168 F169 I171I89-F162 HydrophobicContact CD1-CD2 4.37Å; I89-F162 HydrophobicContact CG2-CB 3.88Å; I89-F162 HydrophobicContact CG2-CD2 3.97Å; I89-F162 HydrophobicContact CG2-CG 4.08Å; F90-F162 CarbonylContact O-C 3.59Å; F90-F162 WeakPolarHBondContact O-CA 3.18Å; F90-F162 WeakPolarHBondContact O-CB 3.14Å; I104-F162 HydrophobicContact CG2-CE1 4.24Å; A108-F162 HydrophobicContact CB-CE2 3.72Å; A108-F162 HydrophobicContact CB-CZ 3.49Å; A108-F162 VanDerWaalsContact CB-CZ 3.49Å; F160-F162 AromaticContact CD1-CD1 3.48Å; F160-F162 HydrophobicContact CD1-CD1 3.48Å; F160-F162 VanDerWaalsContact CD1-CD1 3.48Å; F160-F162 AromaticContact CD1-CE1 3.59Å; F160-F162 HydrophobicContact CD1-CE1 3.59Å; F160-F162 HydrophobicContact CD2-CD1 4.29Å; F160-F162 AromaticContact CE1-CD1 3.26Å; F160-F162 HydrophobicContact CE1-CD1 3.26Å; F160-F162 AromaticContact CE1-CE1 3.54Å; F160-F162 HydrophobicContact CE1-CE1 3.54Å; F160-F162 HydrophobicContact CE1-CG 4.14Å; F160-F162 HydrophobicContact CE2-CB 4.36Å; F160-F162 HydrophobicContact CE2-CD1 4.11Å; F160-F162 AromaticContact CG-CD1 3.99Å; F160-F162 HydrophobicContact CG-CD1 3.99Å; F160-F162 HydrophobicContact CG-CE1 4.41Å; F160-F162 HydrophobicContact CZ-CB 4.17Å; F160-F162 AromaticContact CZ-CD1 3.6Å; F160-F162 HydrophobicContact CZ-CD1 3.6Å; F160-F162 HydrophobicContact CZ-CE1 4.33Å; F160-F162 HydrophobicContact CZ-CG 4.12Å; F162-I164 HydrophobicContact CD2-CD1 4.32Å; F162-I164 HydrophobicContact CD2-CG1 3.9Å; F162-I164 HydrophobicContact CE2-CD1 3.79Å; F162-I164 HydrophobicContact CE2-CG1 3.84Å; F162-S168 CarbonylContact O-C 3.59Å; F162-S168 WeakPolarHBondContact O-CA 3.3Å; F162-F169 HydrophobicContact CD1-CB 4.34Å; F162-F169 HydrophobicContact CD2-CB 4.21Å; F162-F169 HydrophobicContact CD2-CD2 4.24Å; F162-F169 HydrophobicContact CD2-CG 4.44Å; F162-F169 HydrophobicContact CE1-CB 3.93Å; F162-F169 HydrophobicContact CE2-CB 3.76Å; F162-F169 HydrophobicContact CE2-CD1 4.44Å; F162-F169 AromaticContact CE2-CD2 3.75Å; F162-F169 HydrophobicContact CE2-CD2 3.75Å; F162-F169 HydrophobicContact CE2-CE2 4.5Å; F162-F169 AromaticContact CE2-CG 3.73Å; F162-F169 HydrophobicContact CE2-CG 3.73Å; F162-F169 HydrophobicContact CG-CB 4.48Å; F162-F169 HydrophobicContact CZ-CB 3.61Å; F162-F169 HydrophobicContact CZ-CD1 4.31Å; F162-F169 HydrophobicContact CZ-CD2 4.35Å; F162-F169 AromaticContact CZ-CG 3.85Å; F162-F169 HydrophobicContact CZ-CG 3.85Å; F162-F169 PolarHBondContact N-O 3.14Å; F162-F169 PolarHBondContact O-N 3.16Å; F162-I171 HydrophobicContact CE1-CD1 3.72Å; F162-I171 HydrophobicContact CZ-CD1 4.05Å
163K94Very high94.3Very high59 Ų5936.3 Ų36.326%0.25719%0.191SC..EExtended strand (participates in β ladder)trans-120.5137.6178.8-172.8174.8179-178.50110.2P76 F90 I92 N165 H167P76-K163 HydrophobicContact CG-CD 4.14Å; F90-K163 HydrophobicContact CB-CB 4.31Å; F90-K163 PolarHBondContact N-O 3.24Å; F90-K163 PolarHBondContact O-N 2.79Å; I92-K163 HydrophobicContact CD1-CB 4.3Å; K163-N165 WeakPolarHBondContact CE-O 3.37Å; K163-H167 WeakPolarHBondContact CA-O 3.42Å
164I91.1Very high94.4Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-122.7122.8167.9-46.8-170.6000106.7I89 A108 Y109 T112 F162 Q166 H167 F169I89-I164 HydrophobicContact CD1-CD1 3.45Å; I89-I164 VanDerWaalsContact CD1-CD1 3.45Å; I89-I164 HydrophobicContact CD1-CG1 3.54Å; A108-I164 HydrophobicContact CB-CD1 4.14Å; Y109-I164 HydrophobicContact CD2-CD1 4.39Å; Y109-I164 HydrophobicContact CD2-CG2 4.08Å; T112-I164 HydrophobicContact CG2-CD1 4.33Å; T112-I164 HydrophobicContact CG2-CG2 4.41Å; F162-I164 HydrophobicContact CD2-CD1 4.32Å; F162-I164 HydrophobicContact CD2-CG1 3.9Å; F162-I164 HydrophobicContact CE2-CD1 3.79Å; F162-I164 HydrophobicContact CE2-CG1 3.84Å; I164-Q166 PolarHBondContact O-N 2.8Å; I164-Q166 VanDerWaalsContact O-N 3.09Å; I164-H167 PolarHBondContact N-O 3.46Å; I164-H167 PolarHBondContact O-N 3.2Å; I164-F169 HydrophobicContact CB-CE2 4.05Å; I164-F169 HydrophobicContact CD1-CD2 4.47Å; I164-F169 HydrophobicContact CD1-CE2 4.02Å; I164-F169 HydrophobicContact CD1-CZ 4.48Å; I164-F169 HydrophobicContact CG1-CD2 4.12Å; I164-F169 HydrophobicContact CG1-CE2 3.86Å
165N86.6Confident94.2Very high65 Ų6536 Ų3635%0.34819%0.187SC..THydrogen-bonded Turntrans52.6-114.8-177-61.5-41.3000112.5K163K163-N165 WeakPolarHBondContact CE-O 3.37Å
166Q86.8Confident93.6Very high63 Ų6340.5 Ų40.529%0.29423%0.231SC..THydrogen-bonded Turntrans-98.54.2179.4-64.9-171.7-10.200113.2R145 I164R145-Q166 HydrophobicContact CG-CB 4.38Å; I164-Q166 PolarHBondContact O-N 2.8Å; I164-Q166 VanDerWaalsContact O-N 3.09Å
167H93.6Very high93.8Very high22 Ų2237.7 Ų37.710%0.10221%0.211CC..EExtended strand (participates in β ladder)trans-114.9117.4-168.8-61.992.7000110.9F118 E120 I143 V144 K163 I164 F169F118-H167 AromaticContact CD1-CE1 3.8Å; F118-H167 AromaticContact CD1-NE2 3.95Å; F118-H167 AromaticContact CE1-CD2 3.75Å; F118-H167 AromaticContact CE1-CE1 3.66Å; F118-H167 AromaticContact CE1-CG 3.91Å; F118-H167 AromaticContact CE1-ND1 3.9Å; F118-H167 AromaticContact CE1-NE2 3.58Å; E120-H167 IonicContact OE1-CD2 2.85Å; E120-H167 IonicContact OE1-CE1 2.78Å; E120-H167 IonicContact OE1-NE2 2.9Å; E120-H167 PolarHBondContact OE1-NE2 2.98Å; I143-H167 HydrophobicContact CG2-CB 3.97Å; V144-H167 CarbonylContact O-C 3.39Å; V144-H167 WeakPolarHBondContact O-CA 3.47Å; K163-H167 WeakPolarHBondContact CA-O 3.42Å; I164-H167 PolarHBondContact N-O 3.46Å; I164-H167 PolarHBondContact O-N 3.2Å; H167-F169 HydrophobicContact CB-CE2 4.03Å
168S95.5Very high94Very high6 Ų634.2 Ų34.24%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-87.8126.2171.1-57.60000109.1I143 V144 F162I143-S168 CarbonylContact C-O 3.17Å; I143-S168 WeakPolarHBondContact CA-O 3.5Å; V144-S168 PolarHBondContact N-O 3.29Å; V144-S168 PolarHBondContact O-N 3.09Å; F162-S168 CarbonylContact O-C 3.59Å; F162-S168 WeakPolarHBondContact O-CA 3.3Å
169F97.7Very high93.9Very high0 Ų034.8 Ų34.80%020%0.195CC..EExtended strand (participates in β ladder)trans-98.1120.4173.5-68.5-103.9000108.1A108 T112 F118 L127 I143 H161 F162 I164 H167 I171A108-F169 HydrophobicContact CB-CD1 4.08Å; A108-F169 HydrophobicContact CB-CE1 3.96Å; A108-F169 HydrophobicContact CB-CZ 4.39Å; T112-F169 HydrophobicContact CG2-CE2 4.21Å; T112-F169 HydrophobicContact CG2-CZ 3.71Å; F118-F169 HydrophobicContact CZ-CZ 4.38Å; L127-F169 HydrophobicContact CD2-CD1 3.89Å; L127-F169 HydrophobicContact CD2-CE1 4.21Å; I143-F169 HydrophobicContact CD1-CD1 4.04Å; I143-F169 HydrophobicContact CD1-CE1 3.47Å; I143-F169 VanDerWaalsContact CD1-CE1 3.47Å; I143-F169 HydrophobicContact CD1-CZ 4.08Å; I143-F169 HydrophobicContact CG1-CD1 3.83Å; I143-F169 HydrophobicContact CG1-CE1 3.76Å; I143-F169 HydrophobicContact CG1-CZ 4.42Å; H161-F169 VanDerWaalsContact CA-O 3.24Å; H161-F169 WeakPolarHBondContact CA-O 3.36Å; F162-F169 HydrophobicContact CD1-CB 4.34Å; F162-F169 HydrophobicContact CD2-CB 4.21Å; F162-F169 HydrophobicContact CD2-CD2 4.24Å; F162-F169 HydrophobicContact CD2-CG 4.44Å; F162-F169 HydrophobicContact CE1-CB 3.93Å; F162-F169 HydrophobicContact CE2-CB 3.76Å; F162-F169 HydrophobicContact CE2-CD1 4.44Å; F162-F169 AromaticContact CE2-CD2 3.75Å; F162-F169 HydrophobicContact CE2-CD2 3.75Å; F162-F169 HydrophobicContact CE2-CE2 4.5Å; F162-F169 AromaticContact CE2-CG 3.73Å; F162-F169 HydrophobicContact CE2-CG 3.73Å; F162-F169 HydrophobicContact CG-CB 4.48Å; F162-F169 HydrophobicContact CZ-CB 3.61Å; F162-F169 HydrophobicContact CZ-CD1 4.31Å; F162-F169 HydrophobicContact CZ-CD2 4.35Å; F162-F169 AromaticContact CZ-CG 3.85Å; F162-F169 HydrophobicContact CZ-CG 3.85Å; F162-F169 PolarHBondContact N-O 3.14Å; F162-F169 PolarHBondContact O-N 3.16Å; I164-F169 HydrophobicContact CB-CE2 4.05Å; I164-F169 HydrophobicContact CD1-CD2 4.47Å; I164-F169 HydrophobicContact CD1-CE2 4.02Å; I164-F169 HydrophobicContact CD1-CZ 4.48Å; I164-F169 HydrophobicContact CG1-CD2 4.12Å; I164-F169 HydrophobicContact CG1-CE2 3.86Å; H167-F169 HydrophobicContact CB-CE2 4.03Å; F169-I171 HydrophobicContact CB-CD1 4.43Å; F169-I171 HydrophobicContact CB-CG1 4.42Å
170I97.9Very high93.7Very high7 Ų736.8 Ų36.84%0.03621%0.206CC..EExtended strand (participates in β ladder)trans-112107.4176.7-58.9170.7000105.4T142 V144 Y148 H161 Y172T142-I170 PolarHBondContact N-O 3.45Å; T142-I170 PolarHBondContact O-N 2.83Å; V144-I170 HydrophobicContact CG2-CD1 4Å; Y148-I170 HydrophobicContact CD1-CD1 4.05Å; Y148-I170 HydrophobicContact CD2-CD1 3.54Å; Y148-I170 HydrophobicContact CD2-CG1 4.47Å; Y148-I170 HydrophobicContact CE1-CD1 4.11Å; Y148-I170 HydrophobicContact CE1-CG1 4.29Å; Y148-I170 HydrophobicContact CE2-CD1 3.64Å; Y148-I170 HydrophobicContact CE2-CG1 4.11Å; Y148-I170 HydrophobicContact CG-CD1 3.77Å; H161-I170 VanDerWaalsContact CE1-CG2 3.5Å; H161-I170 WeakPolarHBondContact CE1-CG2 3.42Å; H161-I170 WeakPolarHBondContact NE2-CG2 3.29Å; I170-Y172 HydrophobicContact CG2-CD1 4.15Å; I170-Y172 HydrophobicContact CG2-CE1 4.26Å
171I98.3Very high93.5Very high0 Ų039.1 Ų39.10%022%0.219CC..EExtended strand (participates in β ladder)trans-122.3123.8-173.9-54.9178.1000108.4I104 L127 L131 W139 H140 V141 S159 F160 F162 F169I104-I171 HydrophobicContact CG2-CD1 3.57Å; L127-I171 HydrophobicContact CD2-CD1 3.7Å; L127-I171 HydrophobicContact CG-CD1 4.46Å; L131-I171 HydrophobicContact CD1-CG2 3.51Å; L131-I171 HydrophobicContact CD2-CG2 4.48Å; W139-I171 HydrophobicContact CE3-CG2 3.59Å; W139-I171 HydrophobicContact CZ3-CG2 3.77Å; H140-I171 WeakPolarHBondContact O-CA 3.26Å; V141-I171 HydrophobicContact CG2-CG1 4.43Å; V141-I171 HydrophobicContact CG2-CG2 4.46Å; S159-I171 CarbonylContact C-O 3.49Å; S159-I171 WeakPolarHBondContact CA-O 3.4Å; S159-I171 PolarHBondContact OG-O 2.97Å; F160-I171 PolarHBondContact N-O 2.94Å; F160-I171 WeakPolarHBondContact O-CB 3.32Å; F160-I171 PolarHBondContact O-N 2.65Å; F162-I171 HydrophobicContact CE1-CD1 3.72Å; F162-I171 HydrophobicContact CZ-CD1 4.05Å; F169-I171 HydrophobicContact CB-CD1 4.43Å; F169-I171 HydrophobicContact CB-CG1 4.42Å
172Y98Very high93.3Very high39 Ų3941.3 Ų41.315%0.15323%0.232CC..EExtended strand (participates in β ladder)trans-151160.8174.562.7-86.7000111.4H140 Y152 H154 C158 I170 T174H140-Y172 HydrophobicContact CB-CD1 4.25Å; H140-Y172 HydrophobicContact CB-CD2 4.18Å; H140-Y172 HydrophobicContact CB-CE1 3.83Å; H140-Y172 HydrophobicContact CB-CE2 3.75Å; H140-Y172 HydrophobicContact CB-CG 4.41Å; H140-Y172 AromaticContact CD2-CD2 3.92Å; H140-Y172 AromaticContact CD2-CE2 3.52Å; H140-Y172 AromaticContact CG-CE2 3.65Å; H140-Y172 AromaticContact CG-CZ 3.81Å; H140-Y172 PolarHBondContact N-O 2.84Å; H140-Y172 PolarHBondContact O-N 3.09Å; Y152-Y172 HydrophobicContact CD1-CD1 4.46Å; Y152-Y172 HydrophobicContact CD1-CE1 4.38Å; Y152-Y172 HydrophobicContact CD2-CD1 4.29Å; Y152-Y172 AromaticContact CD2-CD2 3.98Å; Y152-Y172 HydrophobicContact CD2-CD2 3.98Å; Y152-Y172 HydrophobicContact CD2-CE2 4.32Å; Y152-Y172 AromaticContact CD2-CG 3.97Å; Y152-Y172 HydrophobicContact CD2-CG 3.97Å; Y152-Y172 HydrophobicContact CE1-CD1 4.34Å; Y152-Y172 HydrophobicContact CE2-CD1 4.17Å; Y152-Y172 HydrophobicContact CE2-CD2 4.3Å; Y152-Y172 AromaticContact CE2-CG 3.86Å; Y152-Y172 HydrophobicContact CE2-CG 3.86Å; Y152-Y172 HydrophobicContact CG-CD1 4.43Å; Y152-Y172 HydrophobicContact CG-CE1 4.36Å; Y152-Y172 HydrophobicContact CG-CE2 4.43Å; H154-Y172 HydrophobicContact CB-CD2 4.03Å; H154-Y172 HydrophobicContact CB-CG 4.41Å; C158-Y172 CarbonylContact O-C 3.55Å; C158-Y172 WeakPolarHBondContact O-CA 3.45Å; I170-Y172 HydrophobicContact CG2-CD1 4.15Å; I170-Y172 HydrophobicContact CG2-CE1 4.26Å; Y172-T174 HydrophobicContact CD2-CG2 4.08Å; Y172-T174 HydrophobicContact CE2-CG2 3.84Å
173R97.4Very high93.2Very high60 Ų6044.2 Ų44.223%0.22625%0.248CC..EExtended strand (participates in β ladder)trans-113.6137.8177.9-164.7-176.8177179.32.3111.7Y135 G136 R137 H138 W139 H154 I155 C158Y135-R173 PolarHBondContact O-NH1 3.49Å; G136-R173 VanDerWaalsContact C-NH2 3.34Å; R137-R173 PolarHBondContact O-NE 2.9Å; R137-R173 PolarHBondContact O-NH2 2.84Å; R137-R173 VanDerWaalsContact O-NH2 3.09Å; H138-R173 WeakPolarHBondContact O-CA 3.37Å; W139-R173 HydrophobicContact CD2-CB 3.9Å; W139-R173 HydrophobicContact CD2-CG 4.16Å; W139-R173 HydrophobicContact CE3-CB 3.93Å; W139-R173 HydrophobicContact CG-CB 4.49Å; W139-R173 HydrophobicContact CG-CG 4.34Å; W139-R173 HydrophobicContact CH2-CB 4.26Å; W139-R173 HydrophobicContact CZ2-CB 4.22Å; W139-R173 HydrophobicContact CZ3-CB 4.1Å; H154-R173 CarbonylContact C-O 3.6Å; H154-R173 VanDerWaalsContact CA-O 3.29Å; H154-R173 WeakPolarHBondContact CA-O 3.22Å; H154-R173 VanDerWaalsContact CB-O 3.26Å; H154-R173 WeakPolarHBondContact CB-O 3.46Å; I155-R173 HydrophobicContact CD1-CG 4.13Å; I155-R173 PolarHBondContact N-O 3.39Å; C158-R173 HydrophobicContact CB-CB 3.67Å; C158-R173 PolarHBondContact O-N 3.05Å
174T96.7Very high93.1Very high36 Ų3643.1 Ų43.122%0.22125%0.248CC..  trans-107.3165.8172.661.40000111.5H138 H140 I155 Y172H138-T174 WeakPolarHBondContact CB-O 3.11Å; H138-T174 PolarHBondContact O-N 2.93Å; H140-T174 VanDerWaalsContact NE2-CG2 3.3Å; H140-T174 WeakPolarHBondContact NE2-CG2 3.36Å; H140-T174 PolarHBondContact NE2-OG1 2.77Å; I155-T174 WeakPolarHBondContact CD1-O 3.39Å; Y172-T174 HydrophobicContact CD2-CG2 4.08Å; Y172-T174 HydrophobicContact CE2-CG2 3.84Å
175N89.8Confident93.3Very high126 Ų12646.7 Ų46.767%0.67427%0.268SS*.  trans-62.2158.9160.7-68.8-28.8000110I155I155-N175 WeakPolarHBondContact CD1-OD1 3.26Å; I155-N175 VanDerWaalsContact CG1-OD1 3.32Å; I155-N175 WeakPolarHBondContact CG1-OD1 3.46Å
176A81.4Confident93.9Very high136 Ų13645 Ų45100%1.12426%0.261SS*.  trans-61.70171.700000111.7H138H138-A176 VanDerWaalsContact CE1-CA 3.46Å; H138-A176 WeakPolarHBondContact CE1-CA 3.13Å; H138-A176 WeakPolarHBondContact CE1-CB 3.47Å; H138-A176 WeakPolarHBondContact ND1-CA 3.43Å

Retrieved 176 of 176 residues in 215 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).