A0A077ZBK8_TRITR Loading...

Histone-lysine N-methyltransferase, H3 lysine-79 specific

AlphaFold DB , UniProt , Accession A0A077ZBK8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 232 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
1M79.2Confident88.3Confident151 Ų151100.9 Ų100.974%0.74452%0.522SS*.  0124.20-166.1172.3-118.200107.7E5 F6 F9M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 HydrophobicContact CE-CB 4.2Å; M1-E5 HydrophobicContact CG-CB 3.38Å; M1-E5 HydrophobicContact SD-CB 4.37Å; M1-F6 HydrophobicContact CG-CB 4.17Å; M1-F6 VanDerWaalsContact SD-CA 3.54Å; M1-F6 HydrophobicContact SD-CB 4.02Å; M1-F6 HydrophobicContact SD-CD2 4.18Å; M1-F9 HydrophobicContact CE-CB 3.74Å; M1-F9 HydrophobicContact CE-CD2 4.42Å; M1-F9 HydrophobicContact CE-CG 4.14Å; M1-F9 HydrophobicContact SD-CB 4.24Å
2N92.6Very high88.5Confident85 Ų8599.7 Ų99.746%0.45552%0.522SS..  trans-79172175.367.244.8000111V4 E5 F6N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 2.91Å; N2-V4 PolarHBondContact OD1-N 3.3Å; N2-V4 VanDerWaalsContact OD1-N 3.11Å; N2-E5 PolarHBondContact N-OE2 3.42Å; N2-E5 VanDerWaalsContact ND2-CD 3.25Å; N2-E5 PolarHBondContact ND2-OE1 3.11Å; N2-E5 PolarHBondContact O-N 2.88Å; N2-E5 WeakPolarHBondContact OD1-CB 3.48Å; N2-E5 WeakPolarHBondContact OD1-CG 3.48Å; N2-E5 PolarHBondContact OD1-N 2.84Å; N2-F6 WeakPolarHBondContact O-CB 3.34Å; N2-F6 PolarHBondContact O-N 3.3Å
3V90.2Very high88.5Confident105 Ų10597.1 Ų97.164%0.63650%0.504SS*.Hα-helixtrans-58.4-39.2-176.6177.60000112.3F6 Q7V3-F6 PolarHBondContact O-N 2.96Å; V3-Q7 HydrophobicContact CG1-CG 4.49Å; V3-Q7 WeakPolarHBondContact O-CB 3.16Å; V3-Q7 VanDerWaalsContact O-CG 3.31Å; V3-Q7 WeakPolarHBondContact O-CG 3.31Å; V3-Q7 PolarHBondContact O-N 3.44Å
4V90Very high88.6Confident108 Ų10894.7 Ų94.766%0.65549%0.488SS*.Hα-helixtrans-68.7-45.6-179.31790000110.9N2 F6 Q7 S8N2-V4 VanDerWaalsContact C-N 3.28Å; N2-V4 PolarHBondContact O-N 2.91Å; N2-V4 PolarHBondContact OD1-N 3.3Å; N2-V4 VanDerWaalsContact OD1-N 3.11Å; V4-F6 VanDerWaalsContact C-N 3.31Å; V4-F6 PolarHBondContact O-N 2.92Å; V4-Q7 PolarHBondContact O-N 2.89Å; V4-S8 WeakPolarHBondContact O-CB 3.42Å; V4-S8 PolarHBondContact O-N 2.94Å
5E90.6Very high88.8Confident96 Ų9695.6 Ų95.645%0.44949%0.493SS..Hα-helixtrans-62-40.1175.5-70.7166.6177.700111.4M1 N2 S8 F9M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 HydrophobicContact CE-CB 4.2Å; M1-E5 HydrophobicContact CG-CB 3.38Å; M1-E5 HydrophobicContact SD-CB 4.37Å; N2-E5 PolarHBondContact N-OE2 3.42Å; N2-E5 VanDerWaalsContact ND2-CD 3.25Å; N2-E5 PolarHBondContact ND2-OE1 3.11Å; N2-E5 PolarHBondContact O-N 2.88Å; N2-E5 WeakPolarHBondContact OD1-CB 3.48Å; N2-E5 WeakPolarHBondContact OD1-CG 3.48Å; N2-E5 PolarHBondContact OD1-N 2.84Å; E5-S8 PolarHBondContact O-N 3.46Å; E5-F9 WeakPolarHBondContact O-CB 3.33Å; E5-F9 PolarHBondContact O-N 3.2Å
6F86.8Confident88.9Confident107 Ų10794.8 Ų94.847%0.46949%0.489SS..Hα-helixtrans-65.2-47.8177.4-179-100.6000111.6M1 N2 V3 V4 S8 F9 Q10M1-F6 HydrophobicContact CG-CB 4.17Å; M1-F6 VanDerWaalsContact SD-CA 3.54Å; M1-F6 HydrophobicContact SD-CB 4.02Å; M1-F6 HydrophobicContact SD-CD2 4.18Å; N2-F6 WeakPolarHBondContact O-CB 3.34Å; N2-F6 PolarHBondContact O-N 3.3Å; V3-F6 PolarHBondContact O-N 2.96Å; V4-F6 VanDerWaalsContact C-N 3.31Å; V4-F6 PolarHBondContact O-N 2.92Å; F6-S8 VanDerWaalsContact C-N 3.33Å; F6-S8 PolarHBondContact O-N 3.22Å; F6-F9 PolarHBondContact O-N 3.44Å; F6-Q10 HydrophobicContact CD1-CG 4.21Å; F6-Q10 HydrophobicContact CE1-CG 3.84Å; F6-Q10 HydrophobicContact CE2-CG 4.32Å; F6-Q10 HydrophobicContact CZ-CG 3.91Å; F6-Q10 VanDerWaalsContact CZ-NE2 3.34Å; F6-Q10 WeakPolarHBondContact O-CG 3.36Å; F6-Q10 PolarHBondContact O-N 3.43Å
7Q87.3Confident89Confident112 Ų11289.4 Ų89.452%0.52346%0.462SS..Hα-helixtrans-61.3-41.6175.5-73.7175.5-13.400112V3 V4 F9 Q10 N11V3-Q7 HydrophobicContact CG1-CG 4.49Å; V3-Q7 WeakPolarHBondContact O-CB 3.16Å; V3-Q7 VanDerWaalsContact O-CG 3.31Å; V3-Q7 WeakPolarHBondContact O-CG 3.31Å; V3-Q7 PolarHBondContact O-N 3.44Å; V4-Q7 PolarHBondContact O-N 2.89Å; Q7-F9 VanDerWaalsContact C-N 3.35Å; Q7-Q10 PolarHBondContact O-N 3.46Å; Q7-N11 WeakPolarHBondContact O-CB 3.34Å; Q7-N11 VanDerWaalsContact O-CG 3.23Å; Q7-N11 PolarHBondContact O-N 3.28Å; Q7-N11 PolarHBondContact O-ND2 2.88Å
8S89.2Confident89.1Confident67 Ų6787.5 Ų87.547%0.46945%0.45SS..Hα-helixtrans-60.2-45.7174.6-172.90000111.3V4 E5 F6 N11 T12V4-S8 WeakPolarHBondContact O-CB 3.42Å; V4-S8 PolarHBondContact O-N 2.94Å; E5-S8 PolarHBondContact O-N 3.46Å; F6-S8 VanDerWaalsContact C-N 3.33Å; F6-S8 PolarHBondContact O-N 3.22Å; S8-N11 PolarHBondContact O-N 2.93Å; S8-T12 PolarHBondContact O-N 3.34Å; S8-T12 PolarHBondContact O-OG1 2.83Å; S8-T12 VanDerWaalsContact O-OG1 3.07Å
9F88.8Confident89.2Confident108 Ų10888.7 Ų88.747%0.47445%0.454SS..Hα-helixtrans-61.6-45.6177.5175.2-98.2000112.1M1 E5 F6 Q7 N11 T12 K13M1-F9 HydrophobicContact CE-CB 3.74Å; M1-F9 HydrophobicContact CE-CD2 4.42Å; M1-F9 HydrophobicContact CE-CG 4.14Å; M1-F9 HydrophobicContact SD-CB 4.24Å; E5-F9 WeakPolarHBondContact O-CB 3.33Å; E5-F9 PolarHBondContact O-N 3.2Å; F6-F9 PolarHBondContact O-N 3.44Å; Q7-F9 VanDerWaalsContact C-N 3.35Å; F9-N11 VanDerWaalsContact C-N 3.34Å; F9-N11 PolarHBondContact O-N 3.24Å; F9-T12 PolarHBondContact O-N 3.3Å; F9-K13 WeakPolarHBondContact O-CB 3.49Å; F9-K13 PolarHBondContact O-N 3.4Å
10Q87.4Confident89.2Confident72 Ų7284.4 Ų84.434%0.33643%0.431SS..Hα-helixtrans-61.7-42.2176.6-67-58.7-26.700111.8F6 Q7 K13 K14F6-Q10 HydrophobicContact CD1-CG 4.21Å; F6-Q10 HydrophobicContact CE1-CG 3.84Å; F6-Q10 HydrophobicContact CE2-CG 4.32Å; F6-Q10 HydrophobicContact CZ-CG 3.91Å; F6-Q10 VanDerWaalsContact CZ-NE2 3.34Å; F6-Q10 WeakPolarHBondContact O-CG 3.36Å; F6-Q10 PolarHBondContact O-N 3.43Å; Q7-Q10 PolarHBondContact O-N 3.46Å; Q10-K13 PolarHBondContact O-N 3.07Å; Q10-K14 WeakPolarHBondContact O-CB 3.48Å; Q10-K14 PolarHBondContact O-N 2.87Å
11N89.9Confident89.2Confident99 Ų9980.6 Ų80.653%0.52941%0.412SS..Hα-helixtrans-63.6-42.9176.1-72.7-22.6000111.9Q7 S8 F9 K14 L15Q7-N11 WeakPolarHBondContact O-CB 3.34Å; Q7-N11 VanDerWaalsContact O-CG 3.23Å; Q7-N11 PolarHBondContact O-N 3.28Å; Q7-N11 PolarHBondContact O-ND2 2.88Å; S8-N11 PolarHBondContact O-N 2.93Å; F9-N11 VanDerWaalsContact C-N 3.34Å; F9-N11 PolarHBondContact O-N 3.24Å; N11-K14 PolarHBondContact O-N 3.29Å; N11-L15 WeakPolarHBondContact O-CG 3.25Å; N11-L15 PolarHBondContact O-N 2.83Å
12T90Very high89.7Confident86 Ų8678.8 Ų78.853%0.52840%0.402SS..Hα-helixtrans-62.7-44.1174.9-59.20000111.4S8 F9 K14 L15 L16S8-T12 PolarHBondContact O-N 3.34Å; S8-T12 PolarHBondContact O-OG1 2.83Å; S8-T12 VanDerWaalsContact O-OG1 3.07Å; F9-T12 PolarHBondContact O-N 3.3Å; T12-K14 PolarHBondContact O-N 2.99Å; T12-L15 PolarHBondContact O-N 3.42Å; T12-L16 WeakPolarHBondContact O-CB 3.06Å; T12-L16 PolarHBondContact O-N 2.93Å
13K88.4Confident89.5Confident66 Ų6676.2 Ų76.229%0.28739%0.389SS..Hα-helixtrans-58.2-48.1175.8-176-175.7175.9-168.50110.7F9 Q10 L15 L16 V17 A85F9-K13 WeakPolarHBondContact O-CB 3.49Å; F9-K13 PolarHBondContact O-N 3.4Å; Q10-K13 PolarHBondContact O-N 3.07Å; K13-L15 PolarHBondContact O-N 3.31Å; K13-L16 WeakPolarHBondContact O-CB 3.48Å; K13-L16 PolarHBondContact O-N 2.89Å; K13-V17 HydrophobicContact CG-CG2 4.45Å; K13-V17 WeakPolarHBondContact O-CG2 3.47Å; K13-V17 PolarHBondContact O-N 2.61Å; K13-A85 VanDerWaalsContact CE-O 3.25Å; K13-A85 WeakPolarHBondContact CE-O 3.07Å; K13-A85 PolarHBondContact NZ-O 2.77Å
14K90.5Very high89.4Confident64 Ų6471.2 Ų71.228%0.27836%0.359SS..Hα-helixtrans-56.9-50.1178177-178.7177.6145.80112.5Q10 N11 T12 L16 V17 E18 F51 E55Q10-K14 WeakPolarHBondContact O-CB 3.48Å; Q10-K14 PolarHBondContact O-N 2.87Å; N11-K14 PolarHBondContact O-N 3.29Å; T12-K14 PolarHBondContact O-N 2.99Å; K14-L16 VanDerWaalsContact C-N 3.27Å; K14-L16 PolarHBondContact O-N 3.47Å; K14-V17 PolarHBondContact O-N 3.4Å; K14-E18 PolarHBondContact O-N 3.07Å; K14-F51 HydrophobicContact CD-CE1 4.4Å; K14-F51 HydrophobicContact CG-CE1 3.79Å; K14-F51 HydrophobicContact CG-CZ 3.79Å; K14-F51 WeakPolarHBondContact O-CZ 3.19Å; K14-E55 HydrophobicContact CD-CG 4.4Å; K14-E55 WeakPolarHBondContact CD-OE2 3.32Å; K14-E55 WeakPolarHBondContact CE-OE2 3.26Å; K14-E55 IonicContact NZ-OE2 3.78Å; K14-E55 PolarHBondContact NZ-OE2 3.26Å
15L91.2Very high89.3Confident108 Ų10868 Ų6857%0.56534%0.335SS*.Hα-helixtrans-62.4-36.6178.5-69.7173.2000112.1N11 T12 K13 H19N11-L15 WeakPolarHBondContact O-CG 3.25Å; N11-L15 PolarHBondContact O-N 2.83Å; T12-L15 PolarHBondContact O-N 3.42Å; K13-L15 PolarHBondContact O-N 3.31Å; L15-H19 WeakPolarHBondContact O-CB 3.17Å; L15-H19 PolarHBondContact O-N 3.35Å
16L90.3Very high89.2Confident82 Ų8268.1 Ų68.143%0.42934%0.339SS..Hα-helixtrans-66.4-44.7175.4-17960.2000111.3T12 K13 K14 H19 I20 I118T12-L16 WeakPolarHBondContact O-CB 3.06Å; T12-L16 PolarHBondContact O-N 2.93Å; K13-L16 WeakPolarHBondContact O-CB 3.48Å; K13-L16 PolarHBondContact O-N 2.89Å; K14-L16 VanDerWaalsContact C-N 3.27Å; K14-L16 PolarHBondContact O-N 3.47Å; L16-H19 PolarHBondContact O-N 2.93Å; L16-I20 HydrophobicContact CD1-CD1 3.86Å; L16-I20 HydrophobicContact CD1-CG1 4.21Å; L16-I20 HydrophobicContact CD2-CD1 4.48Å; L16-I20 HydrophobicContact CG-CD1 3.72Å; L16-I20 HydrophobicContact CG-CG1 4.47Å; L16-I20 WeakPolarHBondContact O-CB 3.39Å; L16-I20 WeakPolarHBondContact O-CD1 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 2.84Å; L16-I20 PolarHBondContact O-N 2.84Å; L16-I118 HydrophobicContact CD2-CG2 3.76Å; L16-I118 HydrophobicContact CG-CG2 4.25Å
17V90.7Very high89.3Confident4 Ų466.7 Ų66.72%0.02434%0.337CS..Hα-helixtrans-60.5-45.7175.7173.10000110.7K13 K14 H19 I20 L21 F51 A85 I118K13-V17 HydrophobicContact CG-CG2 4.45Å; K13-V17 WeakPolarHBondContact O-CG2 3.47Å; K13-V17 PolarHBondContact O-N 2.61Å; K14-V17 PolarHBondContact O-N 3.4Å; V17-H19 PolarHBondContact O-N 3.46Å; V17-I20 PolarHBondContact O-N 3.19Å; V17-L21 HydrophobicContact CG1-CD1 3.74Å; V17-L21 HydrophobicContact CG1-CG 4.17Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.38Å; V17-F51 HydrophobicContact CG1-CE2 4.25Å; V17-A85 HydrophobicContact CG1-CB 4.17Å; V17-A85 HydrophobicContact CG2-CB 4.18Å; V17-I118 HydrophobicContact CG2-CD1 4.23Å
18E91.7Very high89.3Confident55 Ų5561.5 Ų61.526%0.25731%0.313SS..Hα-helixtrans-56.1-50.4175.9-170.6168.1-161.200111.6K14 I20 L21 Q22 F51K14-E18 PolarHBondContact O-N 3.07Å; E18-I20 PolarHBondContact O-N 3.23Å; E18-L21 PolarHBondContact O-N 2.89Å; E18-Q22 WeakPolarHBondContact O-CB 3.26Å; E18-Q22 PolarHBondContact O-N 3.22Å; E18-F51 VanDerWaalsContact CA-CE2 3.42Å; E18-F51 HydrophobicContact CB-CD1 4.06Å; E18-F51 HydrophobicContact CB-CD2 3.88Å; E18-F51 HydrophobicContact CB-CE1 3.72Å; E18-F51 HydrophobicContact CB-CE2 3.54Å; E18-F51 HydrophobicContact CB-CG 4.15Å; E18-F51 HydrophobicContact CB-CZ 3.5Å; E18-F51 VanDerWaalsContact CB-CZ 3.5Å; E18-F51 HydrophobicContact CG-CB 4.35Å; E18-F51 HydrophobicContact CG-CD1 3.74Å; E18-F51 HydrophobicContact CG-CD2 3.82Å; E18-F51 HydrophobicContact CG-CE1 3.94Å; E18-F51 HydrophobicContact CG-CE2 4.03Å; E18-F51 HydrophobicContact CG-CG 3.7Å; E18-F51 HydrophobicContact CG-CZ 4.12Å; E18-F51 WeakPolarHBondContact OE1-CD1 3.28Å
19H90.7Very high89.2Confident110 Ų11058.7 Ų58.751%0.50929%0.293SS..Hα-helixtrans-60.6-46.1179.3-178.670000111.8L15 L16 V17 Q22 V23L15-H19 WeakPolarHBondContact O-CB 3.17Å; L15-H19 PolarHBondContact O-N 3.35Å; L16-H19 PolarHBondContact O-N 2.93Å; V17-H19 PolarHBondContact O-N 3.46Å; H19-Q22 PolarHBondContact O-N 3.49Å; H19-V23 VanDerWaalsContact O-CG2 3.29Å; H19-V23 WeakPolarHBondContact O-CG2 3.47Å; H19-V23 PolarHBondContact O-N 3.19Å
20I88.8Confident89.2Confident2 Ų258.5 Ų58.51%0.0130%0.3CS..Hα-helixtrans-59.2-54.6178.7-73.9167.7000110L16 V17 E18 Q22 V23 V24 F116 I118L16-I20 HydrophobicContact CD1-CD1 3.86Å; L16-I20 HydrophobicContact CD1-CG1 4.21Å; L16-I20 HydrophobicContact CD2-CD1 4.48Å; L16-I20 HydrophobicContact CG-CD1 3.72Å; L16-I20 HydrophobicContact CG-CG1 4.47Å; L16-I20 WeakPolarHBondContact O-CB 3.39Å; L16-I20 WeakPolarHBondContact O-CD1 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 2.84Å; L16-I20 PolarHBondContact O-N 2.84Å; V17-I20 PolarHBondContact O-N 3.19Å; E18-I20 PolarHBondContact O-N 3.23Å; I20-Q22 VanDerWaalsContact C-N 3.26Å; I20-Q22 PolarHBondContact O-N 2.89Å; I20-V23 PolarHBondContact O-N 3.32Å; I20-V24 HydrophobicContact CG2-CG2 3.88Å; I20-V24 WeakPolarHBondContact O-CB 3.35Å; I20-V24 WeakPolarHBondContact O-CG2 3.41Å; I20-V24 PolarHBondContact O-N 3.48Å; I20-F116 HydrophobicContact CB-CD2 4.12Å; I20-F116 HydrophobicContact CB-CE2 4.3Å; I20-F116 HydrophobicContact CB-CG 4.29Å; I20-F116 HydrophobicContact CD1-CB 3.47Å; I20-F116 VanDerWaalsContact CD1-CB 3.47Å; I20-F116 HydrophobicContact CD1-CD1 4.07Å; I20-F116 HydrophobicContact CD1-CD2 4.32Å; I20-F116 HydrophobicContact CD1-CG 3.72Å; I20-F116 HydrophobicContact CG1-CB 3.9Å; I20-F116 HydrophobicContact CG1-CD1 3.63Å; I20-F116 HydrophobicContact CG1-CD2 3.85Å; I20-F116 HydrophobicContact CG1-CE1 4.03Å; I20-F116 HydrophobicContact CG1-CE2 4.23Å; I20-F116 HydrophobicContact CG1-CG 3.52Å; I20-F116 HydrophobicContact CG1-CZ 4.32Å; I20-F116 HydrophobicContact CG2-CB 4.35Å; I20-F116 HydrophobicContact CG2-CD2 3.36Å; I20-F116 HydrophobicContact CG2-CE2 3.71Å; I20-F116 HydrophobicContact CG2-CG 3.92Å; I20-I118 HydrophobicContact CD1-CB 4.49Å; I20-I118 HydrophobicContact CD1-CD1 3.73Å; I20-I118 HydrophobicContact CD1-CG1 4.1Å; I20-I118 HydrophobicContact CD1-CG2 3.6Å; I20-I118 HydrophobicContact CG2-CD1 4.47Å
21L88.9Confident89.2Confident6 Ų660.6 Ų60.63%0.03131%0.308CS..Hα-helixtrans-56.6-41.1-178.7-74.2176.7000112V17 E18 V24 Y25 F51 Q78 L81 H82V17-L21 HydrophobicContact CG1-CD1 3.74Å; V17-L21 HydrophobicContact CG1-CG 4.17Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.38Å; E18-L21 PolarHBondContact O-N 2.89Å; L21-V24 PolarHBondContact O-N 3.21Å; L21-Y25 WeakPolarHBondContact O-CB 3.14Å; L21-Y25 PolarHBondContact O-N 2.98Å; L21-F51 HydrophobicContact CD1-CD2 4.31Å; L21-F51 HydrophobicContact CD1-CE2 4.23Å; L21-Q78 PolarHBondContact O-NE2 3.49Å; L21-L81 HydrophobicContact CD2-CB 3.83Å; L21-H82 HydrophobicContact CD1-CB 3.63Å
22Q89.8Confident89Confident112 Ų11259.5 Ų59.552%0.52331%0.306SS..Hα-helixtrans-66-44175.7-170.3-178.2-57.400112.4E18 H19 I20 Y25 N26E18-Q22 WeakPolarHBondContact O-CB 3.26Å; E18-Q22 PolarHBondContact O-N 3.22Å; H19-Q22 PolarHBondContact O-N 3.49Å; I20-Q22 VanDerWaalsContact C-N 3.26Å; I20-Q22 PolarHBondContact O-N 2.89Å; Q22-Y25 PolarHBondContact O-N 3.27Å; Q22-N26 WeakPolarHBondContact O-CB 3.32Å; Q22-N26 PolarHBondContact O-N 3.32Å; Q22-N26 PolarHBondContact O-ND2 3Å
23V89Confident88.8Confident32 Ų3259.1 Ų59.119%0.19431%0.312CS..Hα-helixtrans-63.4-44.9176.2171.60000110.6H19 I20 Y25 N26 N27 W112 F116H19-V23 VanDerWaalsContact O-CG2 3.29Å; H19-V23 WeakPolarHBondContact O-CG2 3.47Å; H19-V23 PolarHBondContact O-N 3.19Å; I20-V23 PolarHBondContact O-N 3.32Å; V23-Y25 VanDerWaalsContact C-N 3.34Å; V23-Y25 PolarHBondContact O-N 3.44Å; V23-N26 PolarHBondContact O-N 3.49Å; V23-N27 WeakPolarHBondContact O-CB 2.9Å; V23-N27 PolarHBondContact O-N 3.4Å; V23-N27 VanDerWaalsContact O-N 3.07Å; V23-N27 PolarHBondContact O-ND2 3.33Å; V23-W112 HydrophobicContact CG1-CE3 4.21Å; V23-W112 HydrophobicContact CG1-CH2 4.36Å; V23-W112 HydrophobicContact CG1-CZ3 3.72Å; V23-F116 HydrophobicContact CB-CZ 4.15Å; V23-F116 HydrophobicContact CG1-CZ 3.82Å
24V87.1Confident88.7Confident0 Ų059.5 Ų59.50%031%0.313CS..Hα-helixtrans-58-48.8177.5-179.80000110.3I20 L21 N27 S28 I108 W112 F116I20-V24 HydrophobicContact CG2-CG2 3.88Å; I20-V24 WeakPolarHBondContact O-CB 3.35Å; I20-V24 WeakPolarHBondContact O-CG2 3.41Å; I20-V24 PolarHBondContact O-N 3.48Å; L21-V24 PolarHBondContact O-N 3.21Å; V24-N27 PolarHBondContact O-N 2.69Å; V24-S28 VanDerWaalsContact O-CB 3.24Å; V24-S28 WeakPolarHBondContact O-CB 3.18Å; V24-S28 PolarHBondContact O-N 3.03Å; V24-S28 VanDerWaalsContact O-N 3.12Å; V24-S28 PolarHBondContact O-OG 3.04Å; V24-I108 HydrophobicContact CG1-CB 3.69Å; V24-I108 HydrophobicContact CG1-CG1 3.78Å; V24-I108 HydrophobicContact CG1-CG2 3.24Å; V24-W112 HydrophobicContact CB-CB 3.94Å; V24-W112 HydrophobicContact CB-CG 4.11Å; V24-W112 HydrophobicContact CG1-CB 3.62Å; V24-W112 HydrophobicContact CG1-CG 3.79Å; V24-W112 HydrophobicContact CG2-CB 3.32Å; V24-W112 HydrophobicContact CG2-CD2 4.49Å; V24-W112 HydrophobicContact CG2-CG 3.92Å; V24-F116 HydrophobicContact CG2-CE2 3.94Å
25Y88.6Confident88.5Confident39 Ų3956.7 Ų56.715%0.15330%0.301CS..Hα-helixtrans-57.4-56.3178-179.5-86.4000111.1L21 Q22 V23 N27 S28 V29 E48 V76 Q78L21-Y25 WeakPolarHBondContact O-CB 3.14Å; L21-Y25 PolarHBondContact O-N 2.98Å; Q22-Y25 PolarHBondContact O-N 3.27Å; V23-Y25 VanDerWaalsContact C-N 3.34Å; V23-Y25 PolarHBondContact O-N 3.44Å; Y25-N27 PolarHBondContact O-N 2.87Å; Y25-S28 PolarHBondContact O-N 3.33Å; Y25-V29 HydrophobicContact CD1-CG2 4.46Å; Y25-V29 HydrophobicContact CD2-CG2 3.84Å; Y25-V29 HydrophobicContact CE1-CB 4.16Å; Y25-V29 HydrophobicContact CE1-CG2 4.26Å; Y25-V29 HydrophobicContact CE2-CB 4.38Å; Y25-V29 HydrophobicContact CE2-CG2 3.66Å; Y25-V29 HydrophobicContact CG-CG2 4.24Å; Y25-V29 PolarHBondContact O-N 3.48Å; Y25-E48 WeakPolarHBondContact CE2-OE1 3.08Å; Y25-E48 PolarHBondContact OH-OE1 3.4Å; Y25-V76 HydrophobicContact CD2-CG2 3.99Å; Y25-V76 HydrophobicContact CE2-CG2 3.96Å; Y25-Q78 HydrophobicContact CD2-CG 4.26Å
26N89.2Confident87.9Confident99 Ų9955.7 Ų55.753%0.52930%0.297SS..Hα-helixtrans-60.7-32.5-174.4-73.4-19.7000112.9Q22 V23Q22-N26 WeakPolarHBondContact O-CB 3.32Å; Q22-N26 PolarHBondContact O-N 3.32Å; Q22-N26 PolarHBondContact O-ND2 3Å; V23-N26 PolarHBondContact O-N 3.49Å
27N87.2Confident87.1Confident78 Ų7856.5 Ų56.542%0.41730%0.301SS..Hα-helixtrans-86.3-16.2179.3-77.2-88.1000114V23 V24 Y25 W112V23-N27 WeakPolarHBondContact O-CB 2.9Å; V23-N27 PolarHBondContact O-N 3.4Å; V23-N27 VanDerWaalsContact O-N 3.07Å; V23-N27 PolarHBondContact O-ND2 3.33Å; V24-N27 PolarHBondContact O-N 2.69Å; Y25-N27 PolarHBondContact O-N 2.87Å; N27-W112 HydrophobicContact CB-CH2 3.68Å; N27-W112 HydrophobicContact CB-CZ2 3.12Å; N27-W112 VanDerWaalsContact CG-CH2 3.41Å; N27-W112 VanDerWaalsContact CG-CZ2 3.42Å
28S87.5Confident85.9Confident3 Ų359 Ų592%0.02131%0.31CS..Hα-helixtrans-103.5-40.2-175.6-53.50000112V24 Y25 V30 F104 I108 W112V24-S28 VanDerWaalsContact O-CB 3.24Å; V24-S28 WeakPolarHBondContact O-CB 3.18Å; V24-S28 PolarHBondContact O-N 3.03Å; V24-S28 VanDerWaalsContact O-N 3.12Å; V24-S28 PolarHBondContact O-OG 3.04Å; Y25-S28 PolarHBondContact O-N 3.33Å; S28-V30 PolarHBondContact O-N 2.72Å; S28-F104 WeakPolarHBondContact O-CD1 3.44Å; S28-I108 VanDerWaalsContact OG-CG1 3.27Å; S28-I108 WeakPolarHBondContact OG-CG1 3.22Å; S28-W112 PolarHBondContact OG-NE1 3.22Å
29V88.2Confident84.5Confident8 Ų860.3 Ų60.35%0.04832%0.323CS..  trans-81.470.3176.6-172.60000109.6Y25 K31 P32 L35 V76 F104Y25-V29 HydrophobicContact CD1-CG2 4.46Å; Y25-V29 HydrophobicContact CD2-CG2 3.84Å; Y25-V29 HydrophobicContact CE1-CB 4.16Å; Y25-V29 HydrophobicContact CE1-CG2 4.26Å; Y25-V29 HydrophobicContact CE2-CB 4.38Å; Y25-V29 HydrophobicContact CE2-CG2 3.66Å; Y25-V29 HydrophobicContact CG-CG2 4.24Å; Y25-V29 PolarHBondContact O-N 3.48Å; V29-K31 PolarHBondContact O-N 2.81Å; V29-P32 HydrophobicContact CG1-CB 4.1Å; V29-L35 HydrophobicContact CG1-CD1 3.63Å; V29-L35 HydrophobicContact CG1-CG 4.22Å; V29-V76 HydrophobicContact CG2-CG1 4.21Å; V29-F104 HydrophobicContact CG1-CD2 4.23Å; V29-F104 HydrophobicContact CG1-CE2 4.22Å; V29-F104 HydrophobicContact CG2-CB 4.13Å; V29-F104 HydrophobicContact CG2-CD2 4.42Å; V29-F104 HydrophobicContact CG2-CG 4.21Å
30V87.4Confident82.6Confident103 Ų10362 Ų6262%0.62434%0.344SS*.SBendtrans-71.6-15.9-177.3-66.50000113.9S28 F104S28-V30 PolarHBondContact O-N 2.72Å; V30-F104 HydrophobicContact CG2-CE1 3.99Å
31K88Confident80.8Confident117 Ų11767.5 Ų67.551%0.50938%0.383SS..  trans-13471.7179-65.2176.7-177.1174.50109.9V29 A33 K34 F104V29-K31 PolarHBondContact O-N 2.81Å; K31-A33 PolarHBondContact O-N 2.75Å; K31-A33 VanDerWaalsContact O-N 3.13Å; K31-K34 HydrophobicContact CB-CB 4.38Å; K31-K34 HydrophobicContact CB-CG 3.78Å; K31-K34 HydrophobicContact CD-CG 4.39Å; K31-K34 VanDerWaalsContact O-CB 3.26Å; K31-K34 WeakPolarHBondContact O-CB 3.37Å; K31-K34 PolarHBondContact O-N 3.34Å; K31-F104 HydrophobicContact CB-CZ 4.22Å
32P85.5Confident79Confident75 Ų7569.2 Ų69.249%0.48740%0.395SS..G310 helixtrans-59.2-29.6-174.623.1-33.9000113.2V29 K34 L35V29-P32 HydrophobicContact CG1-CB 4.1Å; P32-K34 PolarHBondContact O-N 3.04Å; P32-K34 VanDerWaalsContact O-N 3.1Å; P32-L35 WeakPolarHBondContact O-CB 3.41Å; P32-L35 PolarHBondContact O-N 3.06Å
33A86.1Confident77Confident78 Ų7869.6 Ų69.665%0.64541%0.41SS*.G310 helixtrans-57-26.3173.500000113.6K31 L35 N36K31-A33 PolarHBondContact O-N 2.75Å; K31-A33 VanDerWaalsContact O-N 3.13Å; A33-L35 VanDerWaalsContact C-N 3.29Å; A33-L35 PolarHBondContact O-N 2.83Å; A33-N36 PolarHBondContact O-N 3.46Å
34K87.4Confident75.3Confident75 Ų7569.9 Ų69.933%0.32641%0.413SS..G310 helixtrans-70.7-22.6176.9-68.6-66.9-165.5171.60113.4K31 P32 N36 L37 W100 F104K31-K34 HydrophobicContact CB-CB 4.38Å; K31-K34 HydrophobicContact CB-CG 3.78Å; K31-K34 HydrophobicContact CD-CG 4.39Å; K31-K34 VanDerWaalsContact O-CB 3.26Å; K31-K34 WeakPolarHBondContact O-CB 3.37Å; K31-K34 PolarHBondContact O-N 3.34Å; P32-K34 PolarHBondContact O-N 3.04Å; P32-K34 VanDerWaalsContact O-N 3.1Å; K34-N36 VanDerWaalsContact C-N 3.25Å; K34-N36 PolarHBondContact O-N 3.38Å; K34-L37 HydrophobicContact CD-CD1 3.51Å; K34-L37 HydrophobicContact CD-CG 4.4Å; K34-L37 PolarHBondContact O-N 2.79Å; K34-W100 HydrophobicContact CB-CB 4.11Å; K34-W100 HydrophobicContact CB-CD2 3.73Å; K34-W100 HydrophobicContact CB-CE3 4.06Å; K34-W100 HydrophobicContact CB-CG 3.73Å; K34-W100 HydrophobicContact CD-CD2 4.08Å; K34-W100 HydrophobicContact CD-CG 4.5Å; K34-W100 HydrophobicContact CD-CZ2 3.98Å; K34-W100 HydrophobicContact CG-CD2 3.96Å; K34-W100 HydrophobicContact CG-CE3 4.14Å; K34-W100 HydrophobicContact CG-CG 4.43Å; K34-W100 HydrophobicContact CG-CZ2 4.43Å; K34-W100 HydrophobicContact CG-CZ3 4.45Å; K34-F104 HydrophobicContact CB-CE2 4.46Å
35L84.8Confident73.7Confident4 Ų471.8 Ų71.82%0.02143%0.43CS..G310 helixtrans-69.1-26.6176-64.2177000112.3V29 P32 A33 L37 Y46 V76 P101 F104V29-L35 HydrophobicContact CG1-CD1 3.63Å; V29-L35 HydrophobicContact CG1-CG 4.22Å; P32-L35 WeakPolarHBondContact O-CB 3.41Å; P32-L35 PolarHBondContact O-N 3.06Å; A33-L35 VanDerWaalsContact C-N 3.29Å; A33-L35 PolarHBondContact O-N 2.83Å; L35-L37 VanDerWaalsContact C-N 3.3Å; L35-L37 PolarHBondContact O-N 3.48Å; L35-Y46 HydrophobicContact CB-CD1 4.02Å; L35-Y46 HydrophobicContact CB-CE1 4.5Å; L35-Y46 HydrophobicContact CB-CG 4.03Å; L35-Y46 HydrophobicContact CD1-CD1 3.99Å; L35-Y46 HydrophobicContact CD1-CE1 3.81Å; L35-V76 HydrophobicContact CD1-CG1 4.37Å; L35-V76 HydrophobicContact CD2-CG1 3.74Å; L35-P101 HydrophobicContact CD2-CB 4.28Å; L35-P101 HydrophobicContact CD2-CG 3.88Å; L35-F104 HydrophobicContact CD2-CD2 3.79Å; L35-F104 HydrophobicContact CD2-CE2 4.08Å; L35-F104 HydrophobicContact CG-CD2 4.46Å; L35-F104 HydrophobicContact CG-CE2 4.39Å
36N78.9Confident72.2Confident88 Ų8871.1 Ų71.147%0.47143%0.427SS..G310 helixtrans-90.714.2179-66.6-57.9000113.4A33 K34 Y38 Y46A33-N36 PolarHBondContact O-N 3.46Å; K34-N36 VanDerWaalsContact C-N 3.25Å; K34-N36 PolarHBondContact O-N 3.38Å; N36-Y38 WeakPolarHBondContact O-CD2 3.22Å; N36-Y38 PolarHBondContact O-N 3.39Å; N36-Y38 VanDerWaalsContact O-N 3.16Å; N36-Y46 PolarHBondContact OD1-N 3.47Å
37L74.3Confident71.1Confident98 Ų9866.8 Ų66.851%0.51341%0.406SS..  trans-76.4103.9171.6-67.3179.3000109.2K34 L35K34-L37 HydrophobicContact CD-CD1 3.51Å; K34-L37 HydrophobicContact CD-CG 4.4Å; K34-L37 PolarHBondContact O-N 2.79Å; L35-L37 VanDerWaalsContact C-N 3.3Å; L35-L37 PolarHBondContact O-N 3.48Å
38Y65.4Low70.5Confident58 Ų5865.5 Ų65.523%0.22740%0.397CS..  trans-113.9146.5-178.2-86.4-76.4000110.7N36 S42 S44 A45 Y46 R98N36-Y38 WeakPolarHBondContact O-CD2 3.22Å; N36-Y38 PolarHBondContact O-N 3.39Å; N36-Y38 VanDerWaalsContact O-N 3.16Å; Y38-S42 VanDerWaalsContact CB-OG 3.24Å; Y38-S42 WeakPolarHBondContact CB-OG 3.44Å; Y38-S42 WeakPolarHBondContact CD1-OG 3.3Å; Y38-S44 WeakPolarHBondContact CD1-O 3.23Å; Y38-S44 WeakPolarHBondContact CD2-O 3.4Å; Y38-S44 VanDerWaalsContact CE1-O 3.28Å; Y38-S44 WeakPolarHBondContact CE1-O 3.24Å; Y38-S44 WeakPolarHBondContact CE2-O 3.41Å; Y38-A45 PolarHBondContact OH-O 3.32Å; Y38-A45 VanDerWaalsContact OH-O 3.13Å; Y38-Y46 VanDerWaalsContact CE2-N 3.33Å; Y38-Y46 WeakPolarHBondContact OH-CA 3.42Å; Y38-Y46 PolarHBondContact OH-N 2.86Å; Y38-R98 PolarHBondContact OH-NH1 3.44Å; Y38-R98 VanDerWaalsContact OH-NH1 3.13Å
39P62.3Low70.2Confident81 Ų8166.7 Ų66.753%0.52640%0.404SS..  trans-53.2144.8164.7-23.433.3000110.4S41 S42P39-S41 PolarHBondContact O-N 3.2Å; P39-S42 PolarHBondContact O-N 2.83Å; P39-S42 PolarHBondContact O-OG 3.48Å
40P50.1Low69.9Low147 Ų14767.3 Ų67.396%0.95541%0.409SS*.THydrogen-bonded Turntrans-55.7-21.3-176.7-26.233.5000115.1
41S50.8Low69.9Low117 Ų11763.7 Ų63.782%0.81839%0.385SS*.THydrogen-bonded Turntrans-89.2-10.3-179.553.60000114.9P39P39-S41 PolarHBondContact O-N 3.2Å
42S52.3Low69.8Low42 Ų4263.1 Ų63.129%0.29438%0.384SS..  trans-92.5124.2178.858.10000111Y38 P39 S44Y38-S42 VanDerWaalsContact CB-OG 3.24Å; Y38-S42 WeakPolarHBondContact CB-OG 3.44Å; Y38-S42 WeakPolarHBondContact CD1-OG 3.3Å; P39-S42 PolarHBondContact O-N 2.83Å; P39-S42 PolarHBondContact O-OG 3.48Å; S42-S44 VanDerWaalsContact C-N 3.25Å; S42-S44 PolarHBondContact O-N 3.47Å
43S48.1Very low69.6Low119 Ų11959.7 Ų59.783%0.83236%0.362SS*.  trans-82.61.717553.20000113.7
44S52.5Low69.8Low38 Ų3856.1 Ų56.127%0.26633%0.332SS..  trans-86.6133.3-172.1-48.20000111.7Y38 S42Y38-S44 WeakPolarHBondContact CD1-O 3.23Å; Y38-S44 WeakPolarHBondContact CD2-O 3.4Å; Y38-S44 VanDerWaalsContact CE1-O 3.28Å; Y38-S44 WeakPolarHBondContact CE1-O 3.24Å; Y38-S44 WeakPolarHBondContact CE2-O 3.41Å; S42-S44 VanDerWaalsContact C-N 3.25Å; S42-S44 PolarHBondContact O-N 3.47Å
45A53.8Low69.9Low41 Ų4153.7 Ų53.734%0.33932%0.322SS..  trans-82.6158162.900000110.1Y38 G47 W200Y38-A45 PolarHBondContact OH-O 3.32Å; Y38-A45 VanDerWaalsContact OH-O 3.13Å; A45-G47 PolarHBondContact O-N 3.46Å; A45-G47 VanDerWaalsContact O-N 3.13Å; A45-W200 HydrophobicContact CB-CB 4.1Å
46Y57.7Low70Confident24 Ų2454.1 Ų54.19%0.09432%0.324CS..  trans-67.6114.9173179.1-101.1000108.3L35 N36 Y38 E48 V76 R98 P101L35-Y46 HydrophobicContact CB-CD1 4.02Å; L35-Y46 HydrophobicContact CB-CE1 4.5Å; L35-Y46 HydrophobicContact CB-CG 4.03Å; L35-Y46 HydrophobicContact CD1-CD1 3.99Å; L35-Y46 HydrophobicContact CD1-CE1 3.81Å; N36-Y46 PolarHBondContact OD1-N 3.47Å; Y38-Y46 VanDerWaalsContact CE2-N 3.33Å; Y38-Y46 WeakPolarHBondContact OH-CA 3.42Å; Y38-Y46 PolarHBondContact OH-N 2.86Å; Y46-E48 HydrophobicContact CD1-CG 3.89Å; Y46-E48 HydrophobicContact CE1-CG 3.29Å; Y46-E48 WeakPolarHBondContact CE1-OE1 3.25Å; Y46-V76 PolarHBondContact OH-N 2.92Å; Y46-R98 VanDerWaalsContact CD2-NH2 3.27Å; Y46-P101 HydrophobicContact CE2-CG 4.42Å
47G66.2Low70.5Confident9 Ų950.1 Ų50.19%0.09330%0.302CS..  trans-106111.2-176.700000111.9A45A45-G47 PolarHBondContact O-N 3.46Å; A45-G47 VanDerWaalsContact O-N 3.13Å
48E73.4Confident71.3Confident51 Ų5146.4 Ų46.424%0.23828%0.282CS..PPolyproline II helixtrans-82137.3172.3-63.2170.4177.300109.5Y25 Y46 S199Y25-E48 WeakPolarHBondContact CE2-OE1 3.08Å; Y25-E48 PolarHBondContact OH-OE1 3.4Å; Y46-E48 HydrophobicContact CD1-CG 3.89Å; Y46-E48 HydrophobicContact CE1-CG 3.29Å; Y46-E48 WeakPolarHBondContact CE1-OE1 3.25Å; E48-S199 WeakPolarHBondContact CB-OG 3.35Å; E48-S199 PolarHBondContact N-OG 3.09Å; E48-S199 PolarHBondContact O-N 3.12Å
49T80.7Confident72.4Confident27 Ų2750.7 Ų50.717%0.16630%0.298CS..PPolyproline II helixtrans-73.4125.7169-53.90000107.9M53 V54 V79 Y146T49-M53 HydrophobicContact CG2-CB 3.96Å; T49-M53 HydrophobicContact CG2-CE 4.42Å; T49-M53 HydrophobicContact CG2-CG 3.85Å; T49-M53 HydrophobicContact CG2-SD 3.82Å; T49-V54 HydrophobicContact CG2-CG2 3.58Å; T49-V79 HydrophobicContact CG2-CG2 4.29Å; T49-Y146 WeakPolarHBondContact CG2-OH 3.42Å; T49-Y146 PolarHBondContact OG1-OH 2.81Å
50S83.1Confident73.6Confident21 Ų2151.1 Ų51.115%0.14729%0.29CS..PPolyproline II helixtrans-68.8153.5-179.858.10000111.8Q52 M53 V54 P197S50-Q52 VanDerWaalsContact C-N 3.26Å; S50-Q52 PolarHBondContact O-N 2.87Å; S50-M53 WeakPolarHBondContact O-CB 3.43Å; S50-M53 PolarHBondContact O-N 2.92Å; S50-M53 VanDerWaalsContact O-N 3.07Å; S50-M53 WeakPolarHBondContact OG-CB 3.41Å; S50-M53 PolarHBondContact OG-N 3.29Å; S50-V54 PolarHBondContact O-N 2.99Å; S50-V54 VanDerWaalsContact O-N 3.11Å; S50-P197 WeakPolarHBondContact CB-O 3.4Å; S50-P197 PolarHBondContact OG-O 2.69Å
51F86.6Confident75.5Confident27 Ų2744.2 Ų44.212%0.11825%0.245CC..Hα-helixtrans-55.1-43.5177.9-177.4-95.6000112K14 V17 E18 L21 M53 V54 E55 H82K14-F51 HydrophobicContact CD-CE1 4.4Å; K14-F51 HydrophobicContact CG-CE1 3.79Å; K14-F51 HydrophobicContact CG-CZ 3.79Å; K14-F51 WeakPolarHBondContact O-CZ 3.19Å; V17-F51 HydrophobicContact CG1-CE2 4.25Å; E18-F51 VanDerWaalsContact CA-CE2 3.42Å; E18-F51 HydrophobicContact CB-CD1 4.06Å; E18-F51 HydrophobicContact CB-CD2 3.88Å; E18-F51 HydrophobicContact CB-CE1 3.72Å; E18-F51 HydrophobicContact CB-CE2 3.54Å; E18-F51 HydrophobicContact CB-CG 4.15Å; E18-F51 HydrophobicContact CB-CZ 3.5Å; E18-F51 VanDerWaalsContact CB-CZ 3.5Å; E18-F51 HydrophobicContact CG-CB 4.35Å; E18-F51 HydrophobicContact CG-CD1 3.74Å; E18-F51 HydrophobicContact CG-CD2 3.82Å; E18-F51 HydrophobicContact CG-CE1 3.94Å; E18-F51 HydrophobicContact CG-CE2 4.03Å; E18-F51 HydrophobicContact CG-CG 3.7Å; E18-F51 HydrophobicContact CG-CZ 4.12Å; E18-F51 WeakPolarHBondContact OE1-CD1 3.28Å; L21-F51 HydrophobicContact CD1-CD2 4.31Å; L21-F51 HydrophobicContact CD1-CE2 4.23Å; F51-M53 VanDerWaalsContact C-N 3.31Å; F51-M53 PolarHBondContact O-N 2.9Å; F51-V54 PolarHBondContact O-N 3.12Å; F51-E55 HydrophobicContact CD1-CG 4.13Å; F51-E55 HydrophobicContact CE1-CG 3.7Å; F51-E55 HydrophobicContact CZ-CG 3.95Å; F51-E55 WeakPolarHBondContact O-CG 3.39Å; F51-E55 PolarHBondContact O-N 3.49Å; F51-H82 AromaticContact CD2-CE1 3.17Å; F51-H82 WeakPolarHBondContact CD2-CE1 3.43Å; F51-H82 AromaticContact CD2-ND1 3.65Å; F51-H82 AromaticContact CD2-NE2 3.86Å; F51-H82 AromaticContact CE2-CE1 3Å; F51-H82 WeakPolarHBondContact CE2-CE1 3.43Å; F51-H82 AromaticContact CE2-ND1 3.75Å; F51-H82 AromaticContact CE2-NE2 3.18Å; F51-H82 WeakPolarHBondContact CE2-NE2 3Å; F51-H82 AromaticContact CG-CE1 3.89Å; F51-H82 AromaticContact CZ-CE1 3.61Å; F51-H82 AromaticContact CZ-NE2 3.57Å
52Q85.6Confident77.4Confident105 Ų10544.1 Ų44.149%0.49124%0.236SC..Hα-helixtrans-64.2-35.6178.9-60.983.79.200112.5S50 E55 E56S50-Q52 VanDerWaalsContact C-N 3.26Å; S50-Q52 PolarHBondContact O-N 2.87Å; Q52-E55 PolarHBondContact O-N 3.2Å; Q52-E56 PolarHBondContact O-N 2.84Å
53M82.8Confident79.5Confident4 Ų442.9 Ų42.92%0.0223%0.225CC..Hα-helixtrans-67.4-43.3177.5-177.6171.517100111.4T49 S50 F51 E55 E56 M57 F148 A196 V198 Y207T49-M53 HydrophobicContact CG2-CB 3.96Å; T49-M53 HydrophobicContact CG2-CE 4.42Å; T49-M53 HydrophobicContact CG2-CG 3.85Å; T49-M53 HydrophobicContact CG2-SD 3.82Å; S50-M53 WeakPolarHBondContact O-CB 3.43Å; S50-M53 PolarHBondContact O-N 2.92Å; S50-M53 VanDerWaalsContact O-N 3.07Å; S50-M53 WeakPolarHBondContact OG-CB 3.41Å; S50-M53 PolarHBondContact OG-N 3.29Å; F51-M53 VanDerWaalsContact C-N 3.31Å; F51-M53 PolarHBondContact O-N 2.9Å; M53-E55 VanDerWaalsContact C-N 3.31Å; M53-E55 PolarHBondContact O-N 3.43Å; M53-E56 PolarHBondContact O-N 3.37Å; M53-M57 WeakPolarHBondContact O-CB 3.3Å; M53-M57 PolarHBondContact O-N 3.05Å; M53-F148 HydrophobicContact CE-CD2 4.4Å; M53-F148 HydrophobicContact CE-CE2 4.21Å; M53-A196 HydrophobicContact CB-CB 4Å; M53-V198 HydrophobicContact SD-CG1 4.19Å; M53-Y207 HydrophobicContact CE-CD1 4.02Å; M53-Y207 HydrophobicContact CE-CG 3.94Å; M53-Y207 HydrophobicContact CG-CE1 4.46Å
54V89.9Confident81.8Confident3 Ų339.6 Ų39.62%0.01820%0.2CC..Hα-helixtrans-62.6-40.5175.3-178.40000111T49 S50 F51 E56 M57 I58 V79 H82T49-V54 HydrophobicContact CG2-CG2 3.58Å; S50-V54 PolarHBondContact O-N 2.99Å; S50-V54 VanDerWaalsContact O-N 3.11Å; F51-V54 PolarHBondContact O-N 3.12Å; V54-E56 PolarHBondContact O-N 3.04Å; V54-M57 HydrophobicContact CG1-CE 4.02Å; V54-M57 WeakPolarHBondContact O-CB 3.48Å; V54-M57 PolarHBondContact O-N 3.46Å; V54-I58 HydrophobicContact CG1-CD1 3.84Å; V54-I58 HydrophobicContact CG1-CG1 4.33Å; V54-I58 WeakPolarHBondContact O-CB 3.15Å; V54-I58 VanDerWaalsContact O-CG1 3.3Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.35Å; V54-V79 HydrophobicContact CG1-CG1 4.39Å; V54-V79 HydrophobicContact CG2-CG1 4.35Å; V54-V79 HydrophobicContact CG2-CG2 3.93Å; V54-H82 WeakPolarHBondContact CB-ND1 3.5Å; V54-H82 HydrophobicContact CG1-CB 3.93Å; V54-H82 WeakPolarHBondContact CG1-ND1 3.16Å
55E89.9Confident83.9Confident23 Ų2341.1 Ų41.111%0.10721%0.211CC..Hα-helixtrans-65-35.8176.4-80.7-7612600113.7K14 F51 Q52 M53 R59 H82K14-E55 HydrophobicContact CD-CG 4.4Å; K14-E55 WeakPolarHBondContact CD-OE2 3.32Å; K14-E55 WeakPolarHBondContact CE-OE2 3.26Å; K14-E55 IonicContact NZ-OE2 3.78Å; K14-E55 PolarHBondContact NZ-OE2 3.26Å; F51-E55 HydrophobicContact CD1-CG 4.13Å; F51-E55 HydrophobicContact CE1-CG 3.7Å; F51-E55 HydrophobicContact CZ-CG 3.95Å; F51-E55 WeakPolarHBondContact O-CG 3.39Å; F51-E55 PolarHBondContact O-N 3.49Å; Q52-E55 PolarHBondContact O-N 3.2Å; M53-E55 VanDerWaalsContact C-N 3.31Å; M53-E55 PolarHBondContact O-N 3.43Å; E55-R59 VanDerWaalsContact O-CG 3.32Å; E55-R59 WeakPolarHBondContact O-CG 3.45Å; E55-R59 PolarHBondContact O-N 3Å; E55-R59 PolarHBondContact O-NE 3.27Å; E55-H82 IonicContact OE1-CE1 3.52Å; E55-H82 IonicContact OE1-NE2 2.89Å; E55-H82 PolarHBondContact OE1-NE2 3.44Å; E55-H82 VanDerWaalsContact OE1-NE2 3.09Å
56E86.6Confident86Confident14 Ų1445.4 Ų45.47%0.06523%0.228CC..Hα-helixtrans-71-45.2173-165.1169.1160.200110.5Q52 M53 V54 I58 R59 Y60 R194 Y207Q52-E56 PolarHBondContact O-N 2.84Å; M53-E56 PolarHBondContact O-N 3.37Å; V54-E56 PolarHBondContact O-N 3.04Å; E56-I58 PolarHBondContact O-N 2.85Å; E56-R59 PolarHBondContact O-N 3.16Å; E56-Y60 HydrophobicContact CG-CD2 3.85Å; E56-Y60 HydrophobicContact CG-CE2 3.65Å; E56-Y60 VanDerWaalsContact O-CD2 3.26Å; E56-Y60 WeakPolarHBondContact O-CD2 3.39Å; E56-Y60 PolarHBondContact O-N 2.92Å; E56-R194 PolarHBondContact OE1-N 3.49Å; E56-Y207 WeakPolarHBondContact CB-OH 3.31Å; E56-Y207 WeakPolarHBondContact CG-OH 3.35Å; E56-Y207 PolarHBondContact OE1-OH 2.72Å
57M88.7Confident87.9Confident3 Ų345 Ų452%0.01523%0.228CC..Hα-helixtrans-52.7-51.2172.6178.9-175.57000112M53 V54 R59 Y60 L61 F69 V79 V83 Y146 V167M53-M57 WeakPolarHBondContact O-CB 3.3Å; M53-M57 PolarHBondContact O-N 3.05Å; V54-M57 HydrophobicContact CG1-CE 4.02Å; V54-M57 WeakPolarHBondContact O-CB 3.48Å; V54-M57 PolarHBondContact O-N 3.46Å; M57-R59 VanDerWaalsContact C-N 3.31Å; M57-R59 PolarHBondContact O-N 3.08Å; M57-Y60 PolarHBondContact O-N 2.75Å; M57-L61 HydrophobicContact CG-CD1 3.65Å; M57-L61 HydrophobicContact CG-CG 4.09Å; M57-L61 WeakPolarHBondContact O-CB 3.36Å; M57-L61 WeakPolarHBondContact O-CG 3.1Å; M57-L61 PolarHBondContact O-N 2.83Å; M57-L61 HydrophobicContact SD-CD1 4.21Å; M57-F69 HydrophobicContact CE-CE2 3.9Å; M57-F69 HydrophobicContact CE-CZ 3.87Å; M57-F69 HydrophobicContact SD-CE2 4.32Å; M57-V79 HydrophobicContact CE-CG1 3.83Å; M57-V83 HydrophobicContact CE-CG2 4.11Å; M57-Y146 HydrophobicContact SD-CD2 3.6Å; M57-Y146 HydrophobicContact SD-CE2 4.12Å; M57-Y146 HydrophobicContact SD-CG 4Å; M57-V167 HydrophobicContact CG-CB 4.39Å; M57-V167 HydrophobicContact CG-CG1 4.11Å; M57-V167 HydrophobicContact CG-CG2 4.07Å; M57-V167 HydrophobicContact SD-CB 4.18Å; M57-V167 HydrophobicContact SD-CG1 4.07Å; M57-V167 HydrophobicContact SD-CG2 4.36Å
58I91.8Very high89.4Confident20 Ų2045 Ų4510%0.10323%0.226CC..Hα-helixtrans-57.3-44.2179.4-74.7168.6000111.4V54 E56 Y60 L61 N62 V83 A86 T87V54-I58 HydrophobicContact CG1-CD1 3.84Å; V54-I58 HydrophobicContact CG1-CG1 4.33Å; V54-I58 WeakPolarHBondContact O-CB 3.15Å; V54-I58 VanDerWaalsContact O-CG1 3.3Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.35Å; E56-I58 PolarHBondContact O-N 2.85Å; I58-Y60 VanDerWaalsContact C-N 3.34Å; I58-Y60 PolarHBondContact O-N 2.71Å; I58-L61 PolarHBondContact O-N 3.39Å; I58-N62 PolarHBondContact O-N 3.22Å; I58-V83 HydrophobicContact CD1-CG2 4.2Å; I58-V83 HydrophobicContact CG1-CG2 4.19Å; I58-A86 HydrophobicContact CD1-CB 3.83Å; I58-T87 HydrophobicContact CB-CG2 4.4Å; I58-T87 HydrophobicContact CD1-CG2 4.04Å; I58-T87 HydrophobicContact CG1-CG2 3.98Å; I58-T87 HydrophobicContact CG2-CG2 3.59Å
59R88.2Confident90.6Very high148 Ų14842.6 Ų42.656%0.55822%0.215SC*.Hα-helixtrans-62.9-40179-77.1-177.7-64.9160.22.5112.6E55 E56 M57E55-R59 VanDerWaalsContact O-CG 3.32Å; E55-R59 WeakPolarHBondContact O-CG 3.45Å; E55-R59 PolarHBondContact O-N 3Å; E55-R59 PolarHBondContact O-NE 3.27Å; E56-R59 PolarHBondContact O-N 3.16Å; M57-R59 VanDerWaalsContact C-N 3.31Å; M57-R59 PolarHBondContact O-N 3.08Å
60Y86.5Confident91.4Very high91 Ų9141.5 Ų41.536%0.35721%0.208SC..Hα-helixtrans-75-37.8177.7-83-80.6000112.9E56 M57 I58 N62 E191 L193 I209E56-Y60 HydrophobicContact CG-CD2 3.85Å; E56-Y60 HydrophobicContact CG-CE2 3.65Å; E56-Y60 VanDerWaalsContact O-CD2 3.26Å; E56-Y60 WeakPolarHBondContact O-CD2 3.39Å; E56-Y60 PolarHBondContact O-N 2.92Å; M57-Y60 PolarHBondContact O-N 2.75Å; I58-Y60 VanDerWaalsContact C-N 3.34Å; I58-Y60 PolarHBondContact O-N 2.71Å; Y60-N62 VanDerWaalsContact C-N 3.29Å; Y60-N62 PolarHBondContact O-N 2.9Å; Y60-E191 WeakPolarHBondContact CE1-OE1 3.35Å; Y60-E191 WeakPolarHBondContact CE1-OE2 3.18Å; Y60-L193 HydrophobicContact CD1-CD1 4.21Å; Y60-L193 HydrophobicContact CD1-CD2 3.79Å; Y60-L193 HydrophobicContact CD2-CD1 3.21Å; Y60-L193 HydrophobicContact CD2-CD2 3.62Å; Y60-L193 HydrophobicContact CD2-CG 4Å; Y60-L193 HydrophobicContact CE1-CD2 3.4Å; Y60-L193 VanDerWaalsContact CE1-CD2 3.4Å; Y60-L193 HydrophobicContact CE2-CB 4.43Å; Y60-L193 HydrophobicContact CE2-CD1 3.65Å; Y60-L193 HydrophobicContact CE2-CD2 3.21Å; Y60-L193 HydrophobicContact CE2-CG 3.94Å; Y60-L193 HydrophobicContact CG-CD1 3.53Å; Y60-L193 HydrophobicContact CG-CD2 3.9Å; Y60-L193 HydrophobicContact CG-CG 4.39Å; Y60-L193 WeakPolarHBondContact OH-CD2 3.49Å; Y60-I209 VanDerWaalsContact CB-CD1 3.49Å; Y60-I209 HydrophobicContact CD1-CD1 4.37Å; Y60-I209 HydrophobicContact CG-CD1 4.06Å
61L90.3Very high92Very high1 Ų140.7 Ų40.71%0.00520%0.202CC..Hα-helixtrans-70.3-26.1177.2-67.9-176.5000111.6M57 I58 I63 F69 Q144 R165 V167M57-L61 HydrophobicContact CG-CD1 3.65Å; M57-L61 HydrophobicContact CG-CG 4.09Å; M57-L61 WeakPolarHBondContact O-CB 3.36Å; M57-L61 WeakPolarHBondContact O-CG 3.1Å; M57-L61 PolarHBondContact O-N 2.83Å; M57-L61 HydrophobicContact SD-CD1 4.21Å; I58-L61 PolarHBondContact O-N 3.39Å; L61-I63 VanDerWaalsContact C-N 3.28Å; L61-I63 HydrophobicContact CB-CD1 4.03Å; L61-I63 HydrophobicContact CB-CG1 3.55Å; L61-I63 HydrophobicContact CD1-CD1 3.99Å; L61-I63 HydrophobicContact CD1-CG1 4.38Å; L61-I63 PolarHBondContact O-N 3.09Å; L61-F69 HydrophobicContact CD1-CE2 4.36Å; L61-Q144 HydrophobicContact CD1-CB 4.37Å; L61-R165 HydrophobicContact CD2-CB 4.23Å; L61-R165 PolarHBondContact O-NH1 3.42Å; L61-R165 PolarHBondContact O-NH2 2.76Å; L61-V167 HydrophobicContact CD1-CG2 3.93Å; L61-V167 HydrophobicContact CD2-CG2 3.68Å; L61-V167 HydrophobicContact CG-CG2 4.05Å
62N91Very high92.3Very high116 Ų11639.5 Ų39.562%0.6220%0.197SC*.THydrogen-bonded Turntrans48.253.8-179.6-173.953.6000111.4I58 Y60 T64I58-N62 PolarHBondContact O-N 3.22Å; Y60-N62 VanDerWaalsContact C-N 3.29Å; Y60-N62 PolarHBondContact O-N 2.9Å; N62-T64 WeakPolarHBondContact O-CG2 3.08Å
63I96Very high92.6Very high16 Ų1635.6 Ų35.68%0.08218%0.184CC..  trans-70.6127.9-171.6-56.6-177.2000110.1L61 D67 F69 V83 T87 C89 Q144L61-I63 VanDerWaalsContact C-N 3.28Å; L61-I63 HydrophobicContact CB-CD1 4.03Å; L61-I63 HydrophobicContact CB-CG1 3.55Å; L61-I63 HydrophobicContact CD1-CD1 3.99Å; L61-I63 HydrophobicContact CD1-CG1 4.38Å; L61-I63 PolarHBondContact O-N 3.09Å; I63-D67 HydrophobicContact CG2-CB 3.76Å; I63-F69 HydrophobicContact CD1-CD2 4.02Å; I63-V83 HydrophobicContact CD1-CG1 3.96Å; I63-T87 HydrophobicContact CB-CG2 4.08Å; I63-T87 HydrophobicContact CD1-CG2 4.29Å; I63-T87 HydrophobicContact CG2-CG2 4.49Å; I63-C89 HydrophobicContact CG2-CB 3.6Å; I63-Q144 HydrophobicContact CG1-CG 4.34Å
64T96.6Very high93.1Very high49 Ų4935.8 Ų35.830%0.30119%0.186SC..  trans-116.6178.5-17668.50000112.2N62 D66 D67 E88 C89N62-T64 WeakPolarHBondContact O-CG2 3.08Å; T64-D66 PolarHBondContact O-N 3.3Å; T64-D66 PolarHBondContact OG1-N 2.88Å; T64-D67 PolarHBondContact N-OD2 2.98Å; T64-D67 WeakPolarHBondContact O-CB 3.4Å; T64-D67 PolarHBondContact O-N 3.47Å; T64-D67 PolarHBondContact OG1-OD2 3.11Å; T64-E88 CarbonylContact C-O 3.6Å; T64-C89 VanDerWaalsContact O-CA 3.28Å; T64-C89 WeakPolarHBondContact O-CA 3.28Å
65S97.4Very high93.1Very high70 Ų7035.7 Ų35.749%0.4919%0.186SC..THydrogen-bonded Turntrans-68.3-9.3175.754.60000115.8E88 R90S65-E88 WeakPolarHBondContact CA-O 3.32Å; S65-E88 PolarHBondContact N-O 3.35Å; S65-R90 WeakPolarHBondContact O-CB 3.42Å
66D97Very high93.2Very high132 Ų13234.7 Ų34.771%0.70618%0.181SC*.THydrogen-bonded Turntrans-87.6-12170.9-65.7-41.9000112.2T64T64-D66 PolarHBondContact O-N 3.3Å; T64-D66 PolarHBondContact OG1-N 2.88Å
67D98.1Very high93.5Very high16 Ų1634 Ų349%0.08618%0.178CC..  trans-89.1139.1-172.9-72.3-68.3000113.9I63 T64 R90 T143 Q144I63-D67 HydrophobicContact CG2-CB 3.76Å; T64-D67 PolarHBondContact N-OD2 2.98Å; T64-D67 WeakPolarHBondContact O-CB 3.4Å; T64-D67 PolarHBondContact O-N 3.47Å; T64-D67 PolarHBondContact OG1-OD2 3.11Å; D67-R90 VanDerWaalsContact O-CB 3.3Å; D67-R90 WeakPolarHBondContact O-CB 3.36Å; D67-R90 PolarHBondContact O-N 2.78Å; D67-T143 VanDerWaalsContact CA-OG1 3.25Å; D67-T143 WeakPolarHBondContact CA-OG1 3.28Å; D67-T143 WeakPolarHBondContact CB-OG1 3.37Å; D67-T143 PolarHBondContact OD1-OG1 3.41Å; D67-Q144 HydrophobicContact CB-CG 4.14Å; D67-Q144 PolarHBondContact OD1-NE2 3.28Å
68S97.9Very high93.6Very high7 Ų735.8 Ų35.85%0.04919%0.186CC..EExtended strand (participates in β ladder)trans-109.4116.9166.7260000108.6R90 E141 T143 Q144S68-R90 PolarHBondContact OG-NH2 2.8Å; S68-E141 PolarHBondContact OG-O 2.9Å; S68-T143 PolarHBondContact N-OG1 3.44Å; S68-T143 PolarHBondContact O-N 3.48Å; S68-T143 PolarHBondContact O-OG1 2.91Å; S68-T143 PolarHBondContact OG-N 3.38Å; S68-Q144 PolarHBondContact O-N 3.32Å; S68-Q144 VanDerWaalsContact O-N 3.08Å
69F98.2Very high93.7Very high2 Ų235.2 Ų35.21%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-92.7134178.2-179.4-94.3000110.7M57 L61 I63 D71 V79 V83 V91 A92 V93 Q144 Y146M57-F69 HydrophobicContact CE-CE2 3.9Å; M57-F69 HydrophobicContact CE-CZ 3.87Å; M57-F69 HydrophobicContact SD-CE2 4.32Å; L61-F69 HydrophobicContact CD1-CE2 4.36Å; I63-F69 HydrophobicContact CD1-CD2 4.02Å; F69-D71 HydrophobicContact CE1-CB 3.97Å; F69-V79 HydrophobicContact CE1-CG1 4.05Å; F69-V79 HydrophobicContact CZ-CG1 3.82Å; F69-V83 HydrophobicContact CB-CG1 3.92Å; F69-V83 HydrophobicContact CD1-CB 4.14Å; F69-V83 HydrophobicContact CD1-CG1 4Å; F69-V83 HydrophobicContact CD1-CG2 4.1Å; F69-V83 HydrophobicContact CD2-CG1 4.18Å; F69-V83 HydrophobicContact CD2-CG2 4.27Å; F69-V83 HydrophobicContact CE1-CB 4.33Å; F69-V83 HydrophobicContact CE1-CG2 3.86Å; F69-V83 HydrophobicContact CE2-CG2 4.06Å; F69-V83 HydrophobicContact CG-CB 4.36Å; F69-V83 HydrophobicContact CG-CG1 3.77Å; F69-V83 HydrophobicContact CG-CG2 4.29Å; F69-V83 HydrophobicContact CZ-CG2 3.86Å; F69-V91 PolarHBondContact N-O 2.81Å; F69-A92 HydrophobicContact CB-CB 4.37Å; F69-A92 HydrophobicContact CD1-CB 4.26Å; F69-A92 CarbonylContact O-C 3.54Å; F69-V93 PolarHBondContact O-N 2.96Å; F69-Q144 CarbonylContact C-O 3.58Å; F69-Q144 WeakPolarHBondContact CA-O 3.49Å; F69-Q144 HydrophobicContact CD2-CB 3.89Å; F69-Y146 HydrophobicContact CZ-CG 4.42Å
70L97.1Very high94Very high4 Ų428.2 Ų28.22%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-128.9121.3179.1179.662.1000111.1L72 V93 I95 I139 A142 Q144 V145 Y146L70-L72 HydrophobicContact CD1-CD2 4.3Å; L70-L72 HydrophobicContact CD2-CD2 3.85Å; L70-L72 HydrophobicContact CD2-CG 4.47Å; L70-L72 HydrophobicContact CG-CD2 3.91Å; L70-L72 HydrophobicContact CG-CG 4.34Å; L70-V93 CarbonylContact C-O 3.4Å; L70-V93 WeakPolarHBondContact CA-O 3.3Å; L70-V93 HydrophobicContact CD1-CB 4Å; L70-V93 HydrophobicContact CD1-CG1 3.94Å; L70-I95 HydrophobicContact CD1-CD1 4.01Å; L70-I95 HydrophobicContact CD1-CG1 4.28Å; L70-I139 HydrophobicContact CD2-CG1 4.09Å; L70-A142 HydrophobicContact CB-CB 3.72Å; L70-A142 HydrophobicContact CD2-CB 3.88Å; L70-A142 HydrophobicContact CG-CB 4.47Å; L70-Q144 PolarHBondContact N-O 3.47Å; L70-V145 CarbonylContact O-C 3.49Å; L70-V145 WeakPolarHBondContact O-CA 3.32Å; L70-Y146 PolarHBondContact O-N 3.45Å
71D95Very high94.4Very high4 Ų423.9 Ų23.92%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-103.9112.7174.1-173.72000110.7F69 S74 V80 V93 G94 I95 Y146F69-D71 HydrophobicContact CE1-CB 3.97Å; D71-S74 WeakPolarHBondContact OD2-CA 3.46Å; D71-S74 WeakPolarHBondContact OD2-CB 3.22Å; D71-V80 HydrophobicContact CB-CG2 3.7Å; D71-V93 PolarHBondContact N-O 3.41Å; D71-G94 WeakPolarHBondContact O-CA 3.46Å; D71-I95 PolarHBondContact O-N 3.03Å; D71-Y146 WeakPolarHBondContact OD1-CD1 3.21Å
72L93.2Very high94.5Very high2 Ų224 Ų241%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-92.2105.5179.9-60.7179.1000110.1L70 I95 F130 V145 Y146 C147 L153 I156L70-L72 HydrophobicContact CD1-CD2 4.3Å; L70-L72 HydrophobicContact CD2-CD2 3.85Å; L70-L72 HydrophobicContact CD2-CG 4.47Å; L70-L72 HydrophobicContact CG-CD2 3.91Å; L70-L72 HydrophobicContact CG-CG 4.34Å; L72-I95 HydrophobicContact CD2-CD1 4.47Å; L72-F130 HydrophobicContact CB-CD1 4.18Å; L72-F130 HydrophobicContact CB-CE1 4.34Å; L72-F130 HydrophobicContact CD2-CB 3.8Å; L72-F130 HydrophobicContact CD2-CD1 4.32Å; L72-F130 HydrophobicContact CD2-CG 3.97Å; L72-V145 HydrophobicContact CD1-CG1 3.85Å; L72-V145 HydrophobicContact CG-CG1 4.18Å; L72-Y146 PolarHBondContact N-O 3.3Å; L72-C147 HydrophobicContact CB-CB 4.08Å; L72-C147 PolarHBondContact O-SG 3.07Å; L72-L153 HydrophobicContact CD1-CD2 4.37Å; L72-I156 HydrophobicContact CD1-CD1 4.05Å; L72-I156 HydrophobicContact CD1-CG2 4.3Å
73G91.3Very high94.8Very high22 Ų2218.5 Ų18.523%0.22711%0.112CC..THydrogen-bonded Turntrans88.551.3-170.300000111.7G75 I95G73-G75 PolarHBondContact O-N 3.39Å; G73-I95 VanDerWaalsContact CA-O 3.26Å; G73-I95 WeakPolarHBondContact CA-O 3.2Å; G73-I95 PolarHBondContact N-O 3.43Å
74S93.4Very high94.7Very high8 Ų817.7 Ų17.76%0.05611%0.108CC..  trans-67.7-8.4-169.162.50000115.5D71 V76 G77 I95D71-S74 WeakPolarHBondContact OD2-CA 3.46Å; D71-S74 WeakPolarHBondContact OD2-CB 3.22Å; S74-V76 PolarHBondContact O-N 3.38Å; S74-G77 WeakPolarHBondContact O-CA 3.45Å; S74-G77 PolarHBondContact O-N 2.64Å; S74-I95 PolarHBondContact N-O 3.44Å; S74-I95 PolarHBondContact OG-N 3.03Å
75G91.2Very high94.5Very high2 Ų215.5 Ų15.52%0.0219%0.094CC..THydrogen-bonded Turntrans58.2-126.9-178.600000111.8G73 G77 E96 P101G73-G75 PolarHBondContact O-N 3.39Å; G75-G77 PolarHBondContact O-N 3.18Å; G75-E96 WeakPolarHBondContact CA-OE2 3.18Å; G75-E96 PolarHBondContact N-OE2 3.03Å; G75-P101 CarbonylContact O-C 3.45Å
76V91.6Very high94.4Very high1 Ų113.5 Ų13.51%0.0068%0.082CC..THydrogen-bonded Turntrans-806.1176.3-53.30000113.5Y25 V29 L35 Y46 S74 Q78 P101 F104 A105 I108Y25-V76 HydrophobicContact CD2-CG2 3.99Å; Y25-V76 HydrophobicContact CE2-CG2 3.96Å; V29-V76 HydrophobicContact CG2-CG1 4.21Å; L35-V76 HydrophobicContact CD1-CG1 4.37Å; L35-V76 HydrophobicContact CD2-CG1 3.74Å; Y46-V76 PolarHBondContact OH-N 2.92Å; S74-V76 PolarHBondContact O-N 3.38Å; V76-Q78 HydrophobicContact CG2-CG 3.79Å; V76-P101 HydrophobicContact CG1-CB 4.4Å; V76-F104 HydrophobicContact CB-CB 4.49Å; V76-F104 HydrophobicContact CG1-CB 4.03Å; V76-A105 WeakPolarHBondContact O-CA 3.4Å; V76-A105 WeakPolarHBondContact O-CB 3.35Å; V76-I108 HydrophobicContact CB-CD1 3.96Å; V76-I108 HydrophobicContact CG2-CD1 4.15Å; V76-I108 WeakPolarHBondContact O-CD1 3.2Å
77G92.9Very high94.3Very high0 Ų07.9 Ų7.90%05%0.052CC..SBendtrans85.211.3172.400000116S74 G75 V79 V80 L81S74-G77 WeakPolarHBondContact O-CA 3.45Å; S74-G77 PolarHBondContact O-N 2.64Å; G75-G77 PolarHBondContact O-N 3.18Å; G77-V79 PolarHBondContact O-N 2.79Å; G77-V80 PolarHBondContact O-N 3.29Å; G77-L81 VanDerWaalsContact O-CG 3.32Å; G77-L81 WeakPolarHBondContact O-CG 3.38Å; G77-L81 PolarHBondContact O-N 2.75Å
78Q91.3Very high94.1Very high40 Ų4013.3 Ų13.319%0.1878%0.078CC..Hα-helixtrans-59.2-44.4-175.2-76.2-72.7-4000113.2L21 Y25 V76 L81 H82L21-Q78 PolarHBondContact O-NE2 3.49Å; Y25-Q78 HydrophobicContact CD2-CG 4.26Å; V76-Q78 HydrophobicContact CG2-CG 3.79Å; Q78-L81 PolarHBondContact O-N 2.7Å; Q78-H82 VanDerWaalsContact O-CB 3.22Å; Q78-H82 WeakPolarHBondContact O-CB 3.18Å; Q78-H82 PolarHBondContact O-N 3.39Å
79V93.1Very high94.1Very high9 Ų913 Ų136%0.0558%0.075CC..Hα-helixtrans-65.3-45.7-179.5-179.70000110.6T49 V54 M57 F69 G77 L81 H82 V83 Y146T49-V79 HydrophobicContact CG2-CG2 4.29Å; V54-V79 HydrophobicContact CG1-CG1 4.39Å; V54-V79 HydrophobicContact CG2-CG1 4.35Å; V54-V79 HydrophobicContact CG2-CG2 3.93Å; M57-V79 HydrophobicContact CE-CG1 3.83Å; F69-V79 HydrophobicContact CE1-CG1 4.05Å; F69-V79 HydrophobicContact CZ-CG1 3.82Å; G77-V79 PolarHBondContact O-N 2.79Å; V79-L81 PolarHBondContact O-N 3.28Å; V79-H82 WeakPolarHBondContact O-CB 3.27Å; V79-H82 PolarHBondContact O-N 3.5Å; V79-V83 HydrophobicContact CG1-CG2 4.41Å; V79-V83 WeakPolarHBondContact O-CG2 3.17Å; V79-V83 PolarHBondContact O-N 2.98Å; V79-Y146 HydrophobicContact CG1-CD1 4.02Å; V79-Y146 HydrophobicContact CG1-CE1 4.31Å; V79-Y146 HydrophobicContact CG2-CD1 4.49Å; V79-Y146 HydrophobicContact CG2-CE1 4.05Å
80V95.3Very high94.1Very high0 Ų019 Ų190%010%0.098CC..Hα-helixtrans-56.5-49.6177.3178.50000111.4D71 G77 H82 V83 A84 A92 L125D71-V80 HydrophobicContact CB-CG2 3.7Å; G77-V80 PolarHBondContact O-N 3.29Å; V80-H82 VanDerWaalsContact C-N 3.33Å; V80-H82 PolarHBondContact O-N 3.32Å; V80-V83 PolarHBondContact O-N 2.67Å; V80-A84 WeakPolarHBondContact O-CB 3.41Å; V80-A84 PolarHBondContact O-N 2.55Å; V80-A92 HydrophobicContact CG1-CB 3.91Å; V80-A92 WeakPolarHBondContact CG1-O 3.4Å; V80-L125 HydrophobicContact CB-CD2 3.93Å; V80-L125 HydrophobicContact CG1-CD2 3.9Å; V80-L125 HydrophobicContact CG2-CD2 4.01Å
81L93.6Very high94.1Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-66.1-37.6179.7-67-179.6000112.4L21 G77 Q78 V79 A84 A85 I108 M113 Y123L21-L81 HydrophobicContact CD2-CB 3.83Å; G77-L81 VanDerWaalsContact O-CG 3.32Å; G77-L81 WeakPolarHBondContact O-CG 3.38Å; G77-L81 PolarHBondContact O-N 2.75Å; Q78-L81 PolarHBondContact O-N 2.7Å; V79-L81 PolarHBondContact O-N 3.28Å; L81-A84 PolarHBondContact O-N 3.08Å; L81-A85 WeakPolarHBondContact O-CB 3.48Å; L81-A85 PolarHBondContact O-N 2.97Å; L81-I108 HydrophobicContact CD1-CG2 3.14Å; L81-M113 HydrophobicContact CB-SD 4.27Å; L81-M113 HydrophobicContact CD1-CG 4.32Å; L81-M113 HydrophobicContact CD1-SD 4.2Å; L81-M113 HydrophobicContact CD2-CE 4.18Å; L81-M113 HydrophobicContact CD2-CG 3.83Å; L81-M113 HydrophobicContact CD2-SD 4Å; L81-M113 HydrophobicContact CG-SD 4.4Å; L81-Y123 HydrophobicContact CD2-CD1 4.1Å; L81-Y123 HydrophobicContact CD2-CD2 3.71Å; L81-Y123 HydrophobicContact CD2-CE1 3.89Å; L81-Y123 HydrophobicContact CD2-CE2 3.5Å; L81-Y123 VanDerWaalsContact CD2-CE2 3.5Å; L81-Y123 HydrophobicContact CD2-CG 4.01Å
82H93.8Very high94.3Very high4 Ų419.8 Ų19.82%0.01910%0.103CC..Hα-helixtrans-63.9-48.9176.4-166.6170.7000110.9L21 F51 V54 E55 Q78 V79 V80 A84 A85 A86L21-H82 HydrophobicContact CD1-CB 3.63Å; F51-H82 AromaticContact CD2-CE1 3.17Å; F51-H82 WeakPolarHBondContact CD2-CE1 3.43Å; F51-H82 AromaticContact CD2-ND1 3.65Å; F51-H82 AromaticContact CD2-NE2 3.86Å; F51-H82 AromaticContact CE2-CE1 3Å; F51-H82 WeakPolarHBondContact CE2-CE1 3.43Å; F51-H82 AromaticContact CE2-ND1 3.75Å; F51-H82 AromaticContact CE2-NE2 3.18Å; F51-H82 WeakPolarHBondContact CE2-NE2 3Å; F51-H82 AromaticContact CG-CE1 3.89Å; F51-H82 AromaticContact CZ-CE1 3.61Å; F51-H82 AromaticContact CZ-NE2 3.57Å; V54-H82 WeakPolarHBondContact CB-ND1 3.5Å; V54-H82 HydrophobicContact CG1-CB 3.93Å; V54-H82 WeakPolarHBondContact CG1-ND1 3.16Å; E55-H82 IonicContact OE1-CE1 3.52Å; E55-H82 IonicContact OE1-NE2 2.89Å; E55-H82 PolarHBondContact OE1-NE2 3.44Å; E55-H82 VanDerWaalsContact OE1-NE2 3.09Å; Q78-H82 VanDerWaalsContact O-CB 3.22Å; Q78-H82 WeakPolarHBondContact O-CB 3.18Å; Q78-H82 PolarHBondContact O-N 3.39Å; V79-H82 WeakPolarHBondContact O-CB 3.27Å; V79-H82 PolarHBondContact O-N 3.5Å; V80-H82 VanDerWaalsContact C-N 3.33Å; V80-H82 PolarHBondContact O-N 3.32Å; H82-A84 VanDerWaalsContact C-N 3.33Å; H82-A84 PolarHBondContact O-N 2.93Å; H82-A85 PolarHBondContact O-N 3.43Å; H82-A85 VanDerWaalsContact O-N 3.16Å; H82-A86 VanDerWaalsContact O-CB 3.22Å; H82-A86 WeakPolarHBondContact O-CB 3.47Å; H82-A86 PolarHBondContact O-N 2.8Å
83V95.8Very high94.5Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-59.5-44.6176.8172.20000111M57 I58 I63 F69 V79 V80 A85 A86 T87 C89 A92M57-V83 HydrophobicContact CE-CG2 4.11Å; I58-V83 HydrophobicContact CD1-CG2 4.2Å; I58-V83 HydrophobicContact CG1-CG2 4.19Å; I63-V83 HydrophobicContact CD1-CG1 3.96Å; F69-V83 HydrophobicContact CB-CG1 3.92Å; F69-V83 HydrophobicContact CD1-CB 4.14Å; F69-V83 HydrophobicContact CD1-CG1 4Å; F69-V83 HydrophobicContact CD1-CG2 4.1Å; F69-V83 HydrophobicContact CD2-CG1 4.18Å; F69-V83 HydrophobicContact CD2-CG2 4.27Å; F69-V83 HydrophobicContact CE1-CB 4.33Å; F69-V83 HydrophobicContact CE1-CG2 3.86Å; F69-V83 HydrophobicContact CE2-CG2 4.06Å; F69-V83 HydrophobicContact CG-CB 4.36Å; F69-V83 HydrophobicContact CG-CG1 3.77Å; F69-V83 HydrophobicContact CG-CG2 4.29Å; F69-V83 HydrophobicContact CZ-CG2 3.86Å; V79-V83 HydrophobicContact CG1-CG2 4.41Å; V79-V83 WeakPolarHBondContact O-CG2 3.17Å; V79-V83 PolarHBondContact O-N 2.98Å; V80-V83 PolarHBondContact O-N 2.67Å; V83-A85 VanDerWaalsContact C-N 3.3Å; V83-A85 PolarHBondContact O-N 3.07Å; V83-A86 PolarHBondContact O-N 3.38Å; V83-T87 HydrophobicContact CG1-CG2 4.21Å; V83-T87 WeakPolarHBondContact O-CB 3.42Å; V83-T87 WeakPolarHBondContact O-CG2 3.11Å; V83-T87 PolarHBondContact O-N 3.17Å; V83-T87 PolarHBondContact O-OG1 3.02Å; V83-C89 HydrophobicContact CG1-CB 4.47Å; V83-A92 HydrophobicContact CG1-CB 4.3Å
84A95.1Very high94.7Very high0 Ų018.9 Ų18.90%09%0.093CC..Hα-helixtrans-60.5-36.417700000113.1V80 L81 H82 A92 Y120 Q121 Y123V80-A84 WeakPolarHBondContact O-CB 3.41Å; V80-A84 PolarHBondContact O-N 2.55Å; L81-A84 PolarHBondContact O-N 3.08Å; H82-A84 VanDerWaalsContact C-N 3.33Å; H82-A84 PolarHBondContact O-N 2.93Å; A84-A92 HydrophobicContact CB-CB 4.18Å; A84-Y120 CarbonylContact O-C 3.56Å; A84-Y120 WeakPolarHBondContact O-CA 3.46Å; A84-Q121 PolarHBondContact O-N 3.06Å; A84-Y123 HydrophobicContact CB-CD1 4.35Å
85A92.9Very high94.8Very high2 Ų218.5 Ų18.52%0.0179%0.09CC..Hα-helixtrans-84.4-32.8-179.100000113.8K13 V17 L81 H82 V83 I118K13-A85 VanDerWaalsContact CE-O 3.25Å; K13-A85 WeakPolarHBondContact CE-O 3.07Å; K13-A85 PolarHBondContact NZ-O 2.77Å; V17-A85 HydrophobicContact CG1-CB 4.17Å; V17-A85 HydrophobicContact CG2-CB 4.18Å; L81-A85 WeakPolarHBondContact O-CB 3.48Å; L81-A85 PolarHBondContact O-N 2.97Å; H82-A85 PolarHBondContact O-N 3.43Å; H82-A85 VanDerWaalsContact O-N 3.16Å; V83-A85 VanDerWaalsContact C-N 3.3Å; V83-A85 PolarHBondContact O-N 3.07Å; A85-I118 HydrophobicContact CB-CD1 4.09Å
86A93.5Very high94.9Very high29 Ų2918.6 Ų18.624%0.249%0.09CC..Hα-helixtrans-94.4-17.3-171.700000113.9I58 H82 V83I58-A86 HydrophobicContact CD1-CB 3.83Å; H82-A86 VanDerWaalsContact O-CB 3.22Å; H82-A86 WeakPolarHBondContact O-CB 3.47Å; H82-A86 PolarHBondContact O-N 2.8Å; V83-A86 PolarHBondContact O-N 3.38Å
87T95.3Very high95Very high13 Ų1321.4 Ų21.48%0.0811%0.109CC..SBendtrans-120.2177-17476.90000113.2I58 I63 V83 C89 Q121I58-T87 HydrophobicContact CB-CG2 4.4Å; I58-T87 HydrophobicContact CD1-CG2 4.04Å; I58-T87 HydrophobicContact CG1-CG2 3.98Å; I58-T87 HydrophobicContact CG2-CG2 3.59Å; I63-T87 HydrophobicContact CB-CG2 4.08Å; I63-T87 HydrophobicContact CD1-CG2 4.29Å; I63-T87 HydrophobicContact CG2-CG2 4.49Å; V83-T87 HydrophobicContact CG1-CG2 4.21Å; V83-T87 WeakPolarHBondContact O-CB 3.42Å; V83-T87 WeakPolarHBondContact O-CG2 3.11Å; V83-T87 PolarHBondContact O-N 3.17Å; V83-T87 PolarHBondContact O-OG1 3.02Å; T87-C89 WeakPolarHBondContact OG1-CB 3.11Å; T87-C89 PolarHBondContact OG1-N 3.01Å; T87-C89 PolarHBondContact OG1-SG 3.31Å; T87-Q121 WeakPolarHBondContact O-CG 3.13Å
88E94.8Very high94.8Very high131 Ų13123.9 Ų23.961%0.61212%0.119SC*.  trans-98.115.5171.3-63.1-171.1165.600112.4T64 S65 R90T64-E88 CarbonylContact C-O 3.6Å; S65-E88 WeakPolarHBondContact CA-O 3.32Å; S65-E88 PolarHBondContact N-O 3.35Å; E88-R90 PolarHBondContact O-N 2.96Å
89C97.9Very high94.8Very high0 Ų028.4 Ų28.40%014%0.14CC..  trans-45.7141.2-178.166.50000112.6I63 T64 V83 T87 V91 Q121I63-C89 HydrophobicContact CG2-CB 3.6Å; T64-C89 VanDerWaalsContact O-CA 3.28Å; T64-C89 WeakPolarHBondContact O-CA 3.28Å; V83-C89 HydrophobicContact CG1-CB 4.47Å; T87-C89 WeakPolarHBondContact OG1-CB 3.11Å; T87-C89 PolarHBondContact OG1-N 3.01Å; T87-C89 PolarHBondContact OG1-SG 3.31Å; C89-V91 VanDerWaalsContact C-N 3.26Å; C89-V91 PolarHBondContact O-N 2.95Å; C89-Q121 WeakPolarHBondContact O-CB 3.25Å; C89-Q121 WeakPolarHBondContact O-CG 3.45Å
90R98Very high94.8Very high128 Ų12830.9 Ų30.948%0.48315%0.148SC..SBendtrans-58-44.4172.2-174.7170.853.2138.82.2111.4S65 D67 S68 E88S65-R90 WeakPolarHBondContact O-CB 3.42Å; D67-R90 VanDerWaalsContact O-CB 3.3Å; D67-R90 WeakPolarHBondContact O-CB 3.36Å; D67-R90 PolarHBondContact O-N 2.78Å; S68-R90 PolarHBondContact OG-NH2 2.8Å; E88-R90 PolarHBondContact O-N 2.96Å
91V97.9Very high94.6Very high24 Ų2431.1 Ų31.115%0.14515%0.149CC..EExtended strand (participates in β ladder)trans-157144.617964.10000110.6F69 C89 V93 S122F69-V91 PolarHBondContact N-O 2.81Å; C89-V91 VanDerWaalsContact C-N 3.26Å; C89-V91 PolarHBondContact O-N 2.95Å; V91-V93 HydrophobicContact CG1-CG2 4.49Å; V91-V93 HydrophobicContact CG2-CG2 3.9Å; V91-S122 VanDerWaalsContact CA-O 3.31Å; V91-S122 WeakPolarHBondContact CA-O 3.48Å
92A97.6Very high94.6Very high0 Ų031.1 Ų31.10%015%0.15CC..EExtended strand (participates in β ladder)trans-116120.8169.500000110.7F69 V80 V83 A84 S122 Y123 E124F69-A92 HydrophobicContact CB-CB 4.37Å; F69-A92 HydrophobicContact CD1-CB 4.26Å; F69-A92 CarbonylContact O-C 3.54Å; V80-A92 HydrophobicContact CG1-CB 3.91Å; V80-A92 WeakPolarHBondContact CG1-O 3.4Å; V83-A92 HydrophobicContact CG1-CB 4.3Å; A84-A92 HydrophobicContact CB-CB 4.18Å; A92-S122 PolarHBondContact N-O 3.46Å; A92-Y123 CarbonylContact O-C 3.56Å; A92-Y123 WeakPolarHBondContact O-CA 3.23Å; A92-Y123 VanDerWaalsContact O-CB 3.27Å; A92-Y123 WeakPolarHBondContact O-CB 3.3Å; A92-E124 PolarHBondContact O-N 3.28Å
93V97.9Very high94.5Very high6 Ų636 Ų364%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-116.6135.3-176.3-177.60000109.7F69 L70 D71 V91 I95 E124 L126 Y138F69-V93 PolarHBondContact O-N 2.96Å; L70-V93 CarbonylContact C-O 3.4Å; L70-V93 WeakPolarHBondContact CA-O 3.3Å; L70-V93 HydrophobicContact CD1-CB 4Å; L70-V93 HydrophobicContact CD1-CG1 3.94Å; D71-V93 PolarHBondContact N-O 3.41Å; V91-V93 HydrophobicContact CG1-CG2 4.49Å; V91-V93 HydrophobicContact CG2-CG2 3.9Å; V93-I95 HydrophobicContact CG1-CG1 4.48Å; V93-E124 CarbonylContact C-O 3.52Å; V93-E124 WeakPolarHBondContact CA-O 3.4Å; V93-E124 HydrophobicContact CG1-CB 4.38Å; V93-E124 HydrophobicContact CG2-CB 4.33Å; V93-L126 HydrophobicContact CG1-CD1 3.68Å; V93-L126 HydrophobicContact CG1-CG 4.35Å; V93-Y138 HydrophobicContact CB-CD1 4.38Å; V93-Y138 HydrophobicContact CG1-CD1 3.84Å; V93-Y138 HydrophobicContact CG1-CE1 4.1Å; V93-Y138 HydrophobicContact CG1-CG 4.24Å; V93-Y138 HydrophobicContact CG2-CD1 3.91Å; V93-Y138 HydrophobicContact CG2-CE1 4.1Å
94G96.4Very high94.4Very high0 Ų036 Ų360%017%0.171CC..EExtended strand (participates in β ladder)trans-120.7136.416900000111.6D71 E124 L126D71-G94 WeakPolarHBondContact O-CA 3.46Å; G94-E124 PolarHBondContact N-O 3.44Å; G94-L126 PolarHBondContact O-N 3.48Å
95I95.6Very high94.3Very high0 Ų036 Ų360%017%0.171CC..EExtended strand (participates in β ladder)trans-116.9126.4173.4-54.9170.3000108.4L70 D71 L72 G73 S74 V93 L126 G128 F130 F135L70-I95 HydrophobicContact CD1-CD1 4.01Å; L70-I95 HydrophobicContact CD1-CG1 4.28Å; D71-I95 PolarHBondContact O-N 3.03Å; L72-I95 HydrophobicContact CD2-CD1 4.47Å; G73-I95 VanDerWaalsContact CA-O 3.26Å; G73-I95 WeakPolarHBondContact CA-O 3.2Å; G73-I95 PolarHBondContact N-O 3.43Å; S74-I95 PolarHBondContact N-O 3.44Å; S74-I95 PolarHBondContact OG-N 3.03Å; V93-I95 HydrophobicContact CG1-CG1 4.48Å; I95-L126 HydrophobicContact CG1-CB 4.31Å; I95-L126 HydrophobicContact CG1-CD1 4.26Å; I95-G128 WeakPolarHBondContact CG2-O 3.2Å; I95-F130 HydrophobicContact CB-CB 4.23Å; I95-F130 HydrophobicContact CD1-CB 3.99Å; I95-F130 HydrophobicContact CG2-CB 3.9Å; I95-F135 HydrophobicContact CD1-CB 3.89Å; I95-F135 HydrophobicContact CD1-CD1 3.99Å; I95-F135 HydrophobicContact CD1-CD2 4.5Å; I95-F135 HydrophobicContact CD1-CG 3.9Å; I95-F135 HydrophobicContact CG1-CD1 4.42Å; I95-F135 HydrophobicContact CG2-CD2 4.29Å; I95-F135 HydrophobicContact CG2-CE1 4.4Å; I95-F135 HydrophobicContact CG2-CE2 3.98Å; I95-F135 HydrophobicContact CG2-CZ 4.02Å
96E93.5Very high94.1Very high4 Ų441.6 Ų41.62%0.01919%0.192CC..EExtended strand (participates in β ladder)trans-136.4132.6177.1173.261.1-126.200110.8G75 R98 P101 I102 L126 E127 G128G75-E96 WeakPolarHBondContact CA-OE2 3.18Å; G75-E96 PolarHBondContact N-OE2 3.03Å; E96-R98 WeakPolarHBondContact OE1-CA 3.45Å; E96-R98 WeakPolarHBondContact OE1-CB 3.45Å; E96-R98 VanDerWaalsContact OE1-CG 3.23Å; E96-R98 WeakPolarHBondContact OE1-CG 3.31Å; E96-R98 PolarHBondContact OE1-N 3.39Å; E96-R98 IonicContact OE1-NE 3.1Å; E96-R98 PolarHBondContact OE1-NE 3.48Å; E96-R98 VanDerWaalsContact OE1-NE 3.1Å; E96-R98 IonicContact OE2-NH2 3.81Å; E96-P101 HydrophobicContact CG-CB 3.88Å; E96-I102 HydrophobicContact CB-CB 4.37Å; E96-I102 HydrophobicContact CB-CD1 4.4Å; E96-I102 HydrophobicContact CG-CB 4.16Å; E96-L126 PolarHBondContact N-O 3.29Å; E96-E127 WeakPolarHBondContact O-CA 3.39Å; E96-G128 CarbonylContact C-O 3.52Å; E96-G128 PolarHBondContact O-N 2.87Å
97C92.2Very high93.7Very high59 Ų5942.3 Ų42.340%0.39919%0.193SC..  trans-96.3-16.5-176.464.80000113.5G128C97-G128 WeakPolarHBondContact CA-O 3.45Å; C97-G128 VanDerWaalsContact CB-O 3.27Å; C97-G128 WeakPolarHBondContact CB-O 3.39Å; C97-G128 PolarHBondContact N-O 3.49Å
98R89.4Confident93.2Very high53 Ų5341.7 Ų41.720%0.219%0.189CC..  trans-86.7129.6-177.8-62.3179.8-68.7174.8-8.5111.9Y38 Y46 E96 W100 P101 I102Y38-R98 PolarHBondContact OH-NH1 3.44Å; Y38-R98 VanDerWaalsContact OH-NH1 3.13Å; Y46-R98 VanDerWaalsContact CD2-NH2 3.27Å; E96-R98 WeakPolarHBondContact OE1-CA 3.45Å; E96-R98 WeakPolarHBondContact OE1-CB 3.45Å; E96-R98 VanDerWaalsContact OE1-CG 3.23Å; E96-R98 WeakPolarHBondContact OE1-CG 3.31Å; E96-R98 PolarHBondContact OE1-N 3.39Å; E96-R98 IonicContact OE1-NE 3.1Å; E96-R98 PolarHBondContact OE1-NE 3.48Å; E96-R98 VanDerWaalsContact OE1-NE 3.1Å; E96-R98 IonicContact OE2-NH2 3.81Å; R98-W100 PolarHBondContact O-N 3.47Å; R98-P101 HydrophobicContact CB-CG 3.84Å; R98-P101 WeakPolarHBondContact O-CD 2.9Å; R98-I102 WeakPolarHBondContact O-CG2 3.39Å; R98-I102 PolarHBondContact O-N 2.75Å; R98-I102 VanDerWaalsContact O-N 3.09Å
99E91.4Very high92.4Very high134 Ų13436.5 Ų36.563%0.62617%0.167SC*.Hα-helixtrans-49.2-53.7-178.6-175.3-170-177.900113.7I102 F103E99-I102 WeakPolarHBondContact O-CG2 3.46Å; E99-F103 WeakPolarHBondContact O-CB 3.44Å; E99-F103 PolarHBondContact O-N 3.23Å
100W92.2Very high91.2Very high62 Ų6240.5 Ų40.524%0.23520%0.195CC..Hα-helixtrans-71-48.3-174.9-70.3101.9000113.4K34 R98 F103 F104K34-W100 HydrophobicContact CB-CB 4.11Å; K34-W100 HydrophobicContact CB-CD2 3.73Å; K34-W100 HydrophobicContact CB-CE3 4.06Å; K34-W100 HydrophobicContact CB-CG 3.73Å; K34-W100 HydrophobicContact CD-CD2 4.08Å; K34-W100 HydrophobicContact CD-CG 4.5Å; K34-W100 HydrophobicContact CD-CZ2 3.98Å; K34-W100 HydrophobicContact CG-CD2 3.96Å; K34-W100 HydrophobicContact CG-CE3 4.14Å; K34-W100 HydrophobicContact CG-CG 4.43Å; K34-W100 HydrophobicContact CG-CZ2 4.43Å; K34-W100 HydrophobicContact CG-CZ3 4.45Å; R98-W100 PolarHBondContact O-N 3.47Å; W100-F103 HydrophobicContact CE3-CD1 4.33Å; W100-F103 HydrophobicContact CZ3-CD1 4.4Å; W100-F103 PolarHBondContact O-N 2.94Å; W100-F104 HydrophobicContact CB-CE2 4.33Å; W100-F104 HydrophobicContact CE3-CE2 4.27Å; W100-F104 HydrophobicContact CE3-CZ 4.07Å; W100-F104 WeakPolarHBondContact O-CD2 3.33Å; W100-F104 PolarHBondContact O-N 2.89Å; W100-F104 VanDerWaalsContact O-N 3.07Å
101P91.7Very high89.9Confident4 Ų441.9 Ų41.93%0.02620%0.2CC..Hα-helixtrans-54.6-50.5173.1-28.836.1000113.8L35 Y46 G75 V76 E96 R98 F103 F104 A105L35-P101 HydrophobicContact CD2-CB 4.28Å; L35-P101 HydrophobicContact CD2-CG 3.88Å; Y46-P101 HydrophobicContact CE2-CG 4.42Å; G75-P101 CarbonylContact O-C 3.45Å; V76-P101 HydrophobicContact CG1-CB 4.4Å; E96-P101 HydrophobicContact CG-CB 3.88Å; R98-P101 HydrophobicContact CB-CG 3.84Å; R98-P101 WeakPolarHBondContact O-CD 2.9Å; P101-F103 VanDerWaalsContact C-N 3.35Å; P101-F103 PolarHBondContact O-N 3.34Å; P101-F104 PolarHBondContact O-N 3.44Å; P101-A105 PolarHBondContact O-N 3.43Å
102I93.1Very high88.6Confident1 Ų141.3 Ų41.31%0.00520%0.195CC..Hα-helixtrans-67.5-34.6-179.8-167.856.3000112.5E96 R98 E99 F104 A105 R106 E127E96-I102 HydrophobicContact CB-CB 4.37Å; E96-I102 HydrophobicContact CB-CD1 4.4Å; E96-I102 HydrophobicContact CG-CB 4.16Å; R98-I102 WeakPolarHBondContact O-CG2 3.39Å; R98-I102 PolarHBondContact O-N 2.75Å; R98-I102 VanDerWaalsContact O-N 3.09Å; E99-I102 WeakPolarHBondContact O-CG2 3.46Å; I102-F104 PolarHBondContact O-N 2.95Å; I102-A105 HydrophobicContact CD1-CB 4.19Å; I102-A105 WeakPolarHBondContact O-CB 3.36Å; I102-A105 PolarHBondContact O-N 2.88Å; I102-R106 WeakPolarHBondContact O-CG 3.38Å; I102-R106 PolarHBondContact O-N 3.27Å; I102-R106 VanDerWaalsContact O-N 3.1Å; I102-E127 HydrophobicContact CG1-CB 3.81Å; I102-E127 HydrophobicContact CG1-CG 4.18Å; I102-E127 HydrophobicContact CG2-CG 4.06Å
103F93.2Very high87.4Confident105 Ų10541.3 Ų41.346%0.46120%0.196SC..Hα-helixtrans-57.5-48.8172.6172.9-92.8000111.1E99 W100 P101 R106 V107E99-F103 WeakPolarHBondContact O-CB 3.44Å; E99-F103 PolarHBondContact O-N 3.23Å; W100-F103 HydrophobicContact CE3-CD1 4.33Å; W100-F103 HydrophobicContact CZ3-CD1 4.4Å; W100-F103 PolarHBondContact O-N 2.94Å; P101-F103 VanDerWaalsContact C-N 3.35Å; P101-F103 PolarHBondContact O-N 3.34Å; F103-R106 PolarHBondContact O-N 3.3Å; F103-V107 HydrophobicContact CE1-CG2 4.45Å; F103-V107 PolarHBondContact O-N 2.93Å
104F92.4Very high86.3Confident1 Ų146.2 Ų46.20%0.00422%0.221CC..Hα-helixtrans-67.5-36.9177.5-64.8-51.7000112.3S28 V29 V30 K31 K34 L35 V76 W100 P101 I102 R106 V107 I108S28-F104 WeakPolarHBondContact O-CD1 3.44Å; V29-F104 HydrophobicContact CG1-CD2 4.23Å; V29-F104 HydrophobicContact CG1-CE2 4.22Å; V29-F104 HydrophobicContact CG2-CB 4.13Å; V29-F104 HydrophobicContact CG2-CD2 4.42Å; V29-F104 HydrophobicContact CG2-CG 4.21Å; V30-F104 HydrophobicContact CG2-CE1 3.99Å; K31-F104 HydrophobicContact CB-CZ 4.22Å; K34-F104 HydrophobicContact CB-CE2 4.46Å; L35-F104 HydrophobicContact CD2-CD2 3.79Å; L35-F104 HydrophobicContact CD2-CE2 4.08Å; L35-F104 HydrophobicContact CG-CD2 4.46Å; L35-F104 HydrophobicContact CG-CE2 4.39Å; V76-F104 HydrophobicContact CB-CB 4.49Å; V76-F104 HydrophobicContact CG1-CB 4.03Å; W100-F104 HydrophobicContact CB-CE2 4.33Å; W100-F104 HydrophobicContact CE3-CE2 4.27Å; W100-F104 HydrophobicContact CE3-CZ 4.07Å; W100-F104 WeakPolarHBondContact O-CD2 3.33Å; W100-F104 PolarHBondContact O-N 2.89Å; W100-F104 VanDerWaalsContact O-N 3.07Å; P101-F104 PolarHBondContact O-N 3.44Å; I102-F104 PolarHBondContact O-N 2.95Å; F104-R106 VanDerWaalsContact C-N 3.27Å; F104-R106 PolarHBondContact O-N 3.45Å; F104-V107 WeakPolarHBondContact O-CB 3.4Å; F104-V107 PolarHBondContact O-N 2.77Å; F104-I108 VanDerWaalsContact O-CG1 3.29Å; F104-I108 WeakPolarHBondContact O-CG1 3.26Å; F104-I108 PolarHBondContact O-N 3.21Å
105A92.7Very high85.4Confident0 Ų054.6 Ų54.60%025%0.253CS..Hα-helixtrans-56.7-38.9176.100000112.8V76 P101 I102 I108 S109 L125V76-A105 WeakPolarHBondContact O-CA 3.4Å; V76-A105 WeakPolarHBondContact O-CB 3.35Å; P101-A105 PolarHBondContact O-N 3.43Å; I102-A105 HydrophobicContact CD1-CB 4.19Å; I102-A105 WeakPolarHBondContact O-CB 3.36Å; I102-A105 PolarHBondContact O-N 2.88Å; A105-I108 PolarHBondContact O-N 2.8Å; A105-S109 PolarHBondContact O-N 3.07Å; A105-S109 PolarHBondContact O-OG 3.31Å; A105-L125 HydrophobicContact CB-CD1 4.07Å
106R89.4Confident84.6Confident120 Ų12057.6 Ų57.645%0.45327%0.266SS..Hα-helixtrans-67.1-34.8175.2-72175.3171.3159.12.6113.2I102 F103 F104 S109 S110 E127I102-R106 WeakPolarHBondContact O-CG 3.38Å; I102-R106 PolarHBondContact O-N 3.27Å; I102-R106 VanDerWaalsContact O-N 3.1Å; F103-R106 PolarHBondContact O-N 3.3Å; F104-R106 VanDerWaalsContact C-N 3.27Å; F104-R106 PolarHBondContact O-N 3.45Å; R106-S109 WeakPolarHBondContact CA-OG 3.27Å; R106-S109 PolarHBondContact O-OG 3.25Å; R106-S109 VanDerWaalsContact O-OG 3.14Å; R106-S110 WeakPolarHBondContact O-CB 2.97Å; R106-S110 PolarHBondContact O-N 2.91Å; R106-S110 PolarHBondContact O-OG 2.8Å; R106-E127 IonicContact CZ-OE2 2.66Å; R106-E127 IonicContact NH1-OE2 2.79Å; R106-E127 PolarHBondContact NH1-OE2 3.23Å; R106-E127 IonicContact NH2-OE2 3.62Å; R106-E127 PolarHBondContact NH2-OE2 3.12Å
107V86.1Confident83.9Confident44 Ų4460.6 Ų60.627%0.26730%0.298SS..Hα-helixtrans-70.8-42.1176.4178.40000110.9F103 F104 S110 R111F103-V107 HydrophobicContact CE1-CG2 4.45Å; F103-V107 PolarHBondContact O-N 2.93Å; F104-V107 WeakPolarHBondContact O-CB 3.4Å; F104-V107 PolarHBondContact O-N 2.77Å; V107-S110 PolarHBondContact O-OG 2.73Å; V107-R111 WeakPolarHBondContact O-CB 3.49Å; V107-R111 PolarHBondContact O-N 2.73Å
108I83.3Confident83.4Confident0 Ų058.9 Ų58.90%029%0.285CS..Hα-helixtrans-58-55.9177.4-73.7176.9000110.5V24 S28 V76 L81 F104 A105 W112V24-I108 HydrophobicContact CG1-CB 3.69Å; V24-I108 HydrophobicContact CG1-CG1 3.78Å; V24-I108 HydrophobicContact CG1-CG2 3.24Å; S28-I108 VanDerWaalsContact OG-CG1 3.27Å; S28-I108 WeakPolarHBondContact OG-CG1 3.22Å; V76-I108 HydrophobicContact CB-CD1 3.96Å; V76-I108 HydrophobicContact CG2-CD1 4.15Å; V76-I108 WeakPolarHBondContact O-CD1 3.2Å; L81-I108 HydrophobicContact CD1-CG2 3.14Å; F104-I108 VanDerWaalsContact O-CG1 3.29Å; F104-I108 WeakPolarHBondContact O-CG1 3.26Å; F104-I108 PolarHBondContact O-N 3.21Å; A105-I108 PolarHBondContact O-N 2.8Å; I108-W112 PolarHBondContact O-N 3.44Å
109S78.2Confident83.3Confident21 Ų2161.5 Ų61.515%0.14731%0.308CS..Hα-helixtrans-63.1-48.9-174.747.30000113.6A105 R106 R111 Y123A105-S109 PolarHBondContact O-N 3.07Å; A105-S109 PolarHBondContact O-OG 3.31Å; R106-S109 WeakPolarHBondContact CA-OG 3.27Å; R106-S109 PolarHBondContact O-OG 3.25Å; R106-S109 VanDerWaalsContact O-OG 3.14Å; S109-R111 PolarHBondContact O-N 3.33Å; S109-Y123 WeakPolarHBondContact CA-OH 3.35Å; S109-Y123 VanDerWaalsContact CB-OH 3.25Å; S109-Y123 WeakPolarHBondContact CB-OH 3.25Å; S109-Y123 PolarHBondContact O-OH 2.9Å
110S72.2Confident83.3Confident84 Ų8458.4 Ų58.459%0.58729%0.292SS*.Hα-helixtrans-67.4-33.1-175.6550000114R106 V107R106-S110 WeakPolarHBondContact O-CB 2.97Å; R106-S110 PolarHBondContact O-N 2.91Å; R106-S110 PolarHBondContact O-OG 2.8Å; V107-S110 PolarHBondContact O-OG 2.73Å
111R72.1Confident83.4Confident158 Ų15858.9 Ų58.960%0.59630%0.297SS*.Hα-helixtrans-99.8-35.2-167.3-172.4170.8-179.1174.50.4114.5V107 S109V107-R111 WeakPolarHBondContact O-CB 3.49Å; V107-R111 PolarHBondContact O-N 2.73Å; S109-R111 PolarHBondContact O-N 3.33Å
112W69.8Low83.6Confident11 Ų1162.7 Ų62.74%0.04232%0.323CS..THydrogen-bonded Turntrans-112.9-37.4-161.1-64.195.4000114.7V23 V24 N27 S28 I108 N114 W115 F116V23-W112 HydrophobicContact CG1-CE3 4.21Å; V23-W112 HydrophobicContact CG1-CH2 4.36Å; V23-W112 HydrophobicContact CG1-CZ3 3.72Å; V24-W112 HydrophobicContact CB-CB 3.94Å; V24-W112 HydrophobicContact CB-CG 4.11Å; V24-W112 HydrophobicContact CG1-CB 3.62Å; V24-W112 HydrophobicContact CG1-CG 3.79Å; V24-W112 HydrophobicContact CG2-CB 3.32Å; V24-W112 HydrophobicContact CG2-CD2 4.49Å; V24-W112 HydrophobicContact CG2-CG 3.92Å; N27-W112 HydrophobicContact CB-CH2 3.68Å; N27-W112 HydrophobicContact CB-CZ2 3.12Å; N27-W112 VanDerWaalsContact CG-CH2 3.41Å; N27-W112 VanDerWaalsContact CG-CZ2 3.42Å; S28-W112 PolarHBondContact OG-NE1 3.22Å; I108-W112 PolarHBondContact O-N 3.44Å; W112-N114 VanDerWaalsContact C-N 3.29Å; W112-N114 PolarHBondContact O-N 3.29Å; W112-W115 HydrophobicContact CD2-CE3 4.29Å; W112-W115 AromaticContact CE3-CE3 3.44Å; W112-W115 HydrophobicContact CE3-CE3 3.44Å; W112-W115 VanDerWaalsContact CE3-CE3 3.44Å; W112-W115 AromaticContact CE3-CZ3 3.72Å; W112-W115 HydrophobicContact CE3-CZ3 3.72Å; W112-W115 HydrophobicContact CH2-CE3 4.06Å; W112-W115 HydrophobicContact CH2-CH2 4.49Å; W112-W115 AromaticContact CH2-CZ3 3.46Å; W112-W115 HydrophobicContact CH2-CZ3 3.46Å; W112-W115 VanDerWaalsContact CH2-CZ3 3.46Å; W112-W115 HydrophobicContact CZ2-CZ3 4.35Å; W112-W115 AromaticContact CZ3-CE3 3.36Å; W112-W115 HydrophobicContact CZ3-CE3 3.36Å; W112-W115 HydrophobicContact CZ3-CH2 4.17Å; W112-W115 AromaticContact CZ3-CZ3 3.08Å; W112-W115 HydrophobicContact CZ3-CZ3 3.08Å; W112-W115 PolarHBondContact O-N 3.39Å; W112-F116 HydrophobicContact CB-CE2 4.26Å; W112-F116 AromaticContact CE3-CE2 3.65Å; W112-F116 HydrophobicContact CE3-CE2 3.65Å; W112-F116 AromaticContact CE3-CZ 3.88Å; W112-F116 HydrophobicContact CE3-CZ 3.88Å; W112-F116 HydrophobicContact CZ3-CE2 4.43Å; W112-F116 HydrophobicContact CZ3-CZ 4.21Å; W112-F116 WeakPolarHBondContact O-CD2 3.46Å; W112-F116 PolarHBondContact O-N 3.01Å
113M72.7Confident83.7Confident1 Ų164.8 Ų64.81%0.00533%0.331CS..THydrogen-bonded Turntrans-58.3-42.9-178.4-71-61.5-68.900112L81 W115 Y120 Y123L81-M113 HydrophobicContact CB-SD 4.27Å; L81-M113 HydrophobicContact CD1-CG 4.32Å; L81-M113 HydrophobicContact CD1-SD 4.2Å; L81-M113 HydrophobicContact CD2-CE 4.18Å; L81-M113 HydrophobicContact CD2-CG 3.83Å; L81-M113 HydrophobicContact CD2-SD 4Å; L81-M113 HydrophobicContact CG-SD 4.4Å; M113-W115 VanDerWaalsContact C-N 3.32Å; M113-W115 PolarHBondContact O-N 3.07Å; M113-Y120 HydrophobicContact CB-CE1 4Å; M113-Y120 HydrophobicContact CE-CD1 3.83Å; M113-Y120 HydrophobicContact CE-CD2 4.32Å; M113-Y120 HydrophobicContact CE-CE1 4.41Å; M113-Y120 HydrophobicContact CE-CG 3.78Å; M113-Y123 HydrophobicContact CB-CE1 4.48Å; M113-Y123 HydrophobicContact CG-CE1 4.28Å
114N74.8Confident83.8Confident108 Ų10863.4 Ų63.458%0.57833%0.326SS*.THydrogen-bonded Turntrans-67.9-28.8175.8-72-45.6000113.5W112 Y120W112-N114 VanDerWaalsContact C-N 3.29Å; W112-N114 PolarHBondContact O-N 3.29Å; N114-Y120 PolarHBondContact OD1-OH 3.25Å
115W76.7Confident84Confident176 Ų17664.5 Ų64.567%0.66733%0.332SS*.THydrogen-bonded Turntrans-74.6-36.6-170.8-174.816.2000112.3W112 M113 G117W112-W115 HydrophobicContact CD2-CE3 4.29Å; W112-W115 AromaticContact CE3-CE3 3.44Å; W112-W115 HydrophobicContact CE3-CE3 3.44Å; W112-W115 VanDerWaalsContact CE3-CE3 3.44Å; W112-W115 AromaticContact CE3-CZ3 3.72Å; W112-W115 HydrophobicContact CE3-CZ3 3.72Å; W112-W115 HydrophobicContact CH2-CE3 4.06Å; W112-W115 HydrophobicContact CH2-CH2 4.49Å; W112-W115 AromaticContact CH2-CZ3 3.46Å; W112-W115 HydrophobicContact CH2-CZ3 3.46Å; W112-W115 VanDerWaalsContact CH2-CZ3 3.46Å; W112-W115 HydrophobicContact CZ2-CZ3 4.35Å; W112-W115 AromaticContact CZ3-CE3 3.36Å; W112-W115 HydrophobicContact CZ3-CE3 3.36Å; W112-W115 HydrophobicContact CZ3-CH2 4.17Å; W112-W115 AromaticContact CZ3-CZ3 3.08Å; W112-W115 HydrophobicContact CZ3-CZ3 3.08Å; W112-W115 PolarHBondContact O-N 3.39Å; M113-W115 VanDerWaalsContact C-N 3.32Å; M113-W115 PolarHBondContact O-N 3.07Å; W115-G117 VanDerWaalsContact C-N 3.28Å; W115-G117 PolarHBondContact O-N 3.46Å
116F79.1Confident84.2Confident64 Ų6466 Ų6628%0.28134%0.34SS..THydrogen-bonded Turntrans-78.9-7.9-175.3-69-75.2000114.8I20 V23 V24 W112 I118I20-F116 HydrophobicContact CB-CD2 4.12Å; I20-F116 HydrophobicContact CB-CE2 4.3Å; I20-F116 HydrophobicContact CB-CG 4.29Å; I20-F116 HydrophobicContact CD1-CB 3.47Å; I20-F116 VanDerWaalsContact CD1-CB 3.47Å; I20-F116 HydrophobicContact CD1-CD1 4.07Å; I20-F116 HydrophobicContact CD1-CD2 4.32Å; I20-F116 HydrophobicContact CD1-CG 3.72Å; I20-F116 HydrophobicContact CG1-CB 3.9Å; I20-F116 HydrophobicContact CG1-CD1 3.63Å; I20-F116 HydrophobicContact CG1-CD2 3.85Å; I20-F116 HydrophobicContact CG1-CE1 4.03Å; I20-F116 HydrophobicContact CG1-CE2 4.23Å; I20-F116 HydrophobicContact CG1-CG 3.52Å; I20-F116 HydrophobicContact CG1-CZ 4.32Å; I20-F116 HydrophobicContact CG2-CB 4.35Å; I20-F116 HydrophobicContact CG2-CD2 3.36Å; I20-F116 HydrophobicContact CG2-CE2 3.71Å; I20-F116 HydrophobicContact CG2-CG 3.92Å; V23-F116 HydrophobicContact CB-CZ 4.15Å; V23-F116 HydrophobicContact CG1-CZ 3.82Å; V24-F116 HydrophobicContact CG2-CE2 3.94Å; W112-F116 HydrophobicContact CB-CE2 4.26Å; W112-F116 AromaticContact CE3-CE2 3.65Å; W112-F116 HydrophobicContact CE3-CE2 3.65Å; W112-F116 AromaticContact CE3-CZ 3.88Å; W112-F116 HydrophobicContact CE3-CZ 3.88Å; W112-F116 HydrophobicContact CZ3-CE2 4.43Å; W112-F116 HydrophobicContact CZ3-CZ 4.21Å; W112-F116 WeakPolarHBondContact O-CD2 3.46Å; W112-F116 PolarHBondContact O-N 3.01Å; F116-I118 PolarHBondContact O-N 2.92Å; F116-I118 VanDerWaalsContact O-N 3.08Å
117G79.5Confident84.5Confident66 Ų6664.5 Ų64.568%0.6834%0.338SS*.  trans64.213.4175.300000114.8W115W115-G117 VanDerWaalsContact C-N 3.28Å; W115-G117 PolarHBondContact O-N 3.46Å
118I82.3Confident85Confident23 Ų2363 Ų6312%0.11833%0.331CS..  trans-74.9135.7171.659.1167000109.1L16 V17 I20 A85 F116 Y120L16-I118 HydrophobicContact CD2-CG2 3.76Å; L16-I118 HydrophobicContact CG-CG2 4.25Å; V17-I118 HydrophobicContact CG2-CD1 4.23Å; I20-I118 HydrophobicContact CD1-CB 4.49Å; I20-I118 HydrophobicContact CD1-CD1 3.73Å; I20-I118 HydrophobicContact CD1-CG1 4.1Å; I20-I118 HydrophobicContact CD1-CG2 3.6Å; I20-I118 HydrophobicContact CG2-CD1 4.47Å; A85-I118 HydrophobicContact CB-CD1 4.09Å; F116-I118 PolarHBondContact O-N 2.92Å; F116-I118 VanDerWaalsContact O-N 3.08Å; I118-Y120 WeakPolarHBondContact O-CD1 3.37Å; I118-Y120 PolarHBondContact O-N 2.76Å
119P87.2Confident85.4Confident108 Ų10866.5 Ų66.570%0.70135%0.35SS*.  trans-62.8135.7169.4-18.630.4000110.2
120Y91.6Very high86.1Confident70 Ų7065.9 Ų65.928%0.27535%0.345SS..  trans-143.1155.2174.360.5-97.7000109.9A84 M113 N114 I118 Y123A84-Y120 CarbonylContact O-C 3.56Å; A84-Y120 WeakPolarHBondContact O-CA 3.46Å; M113-Y120 HydrophobicContact CB-CE1 4Å; M113-Y120 HydrophobicContact CE-CD1 3.83Å; M113-Y120 HydrophobicContact CE-CD2 4.32Å; M113-Y120 HydrophobicContact CE-CE1 4.41Å; M113-Y120 HydrophobicContact CE-CG 3.78Å; N114-Y120 PolarHBondContact OD1-OH 3.25Å; I118-Y120 WeakPolarHBondContact O-CD1 3.37Å; I118-Y120 PolarHBondContact O-N 2.76Å; Y120-Y123 AromaticContact CD2-CD1 3.94Å; Y120-Y123 HydrophobicContact CD2-CD1 3.94Å; Y120-Y123 AromaticContact CD2-CE1 3.9Å; Y120-Y123 HydrophobicContact CD2-CE1 3.9Å; Y120-Y123 AromaticContact CE2-CD1 3.97Å; Y120-Y123 HydrophobicContact CE2-CD1 3.97Å; Y120-Y123 AromaticContact CE2-CE1 3.58Å; Y120-Y123 HydrophobicContact CE2-CE1 3.58Å
121Q94.4Very high86.9Confident72 Ų7264.6 Ų64.634%0.33633%0.33SS..  trans-81.6162.3177.3-52-53.8-22.300112A84 T87 C89 Y123A84-Q121 PolarHBondContact O-N 3.06Å; T87-Q121 WeakPolarHBondContact O-CG 3.13Å; C89-Q121 WeakPolarHBondContact O-CB 3.25Å; C89-Q121 WeakPolarHBondContact O-CG 3.45Å; Q121-Y123 PolarHBondContact O-N 3.43Å
122S94.7Very high87.9Confident83 Ų8360.3 Ų60.358%0.5832%0.319SS*.  trans-52.8139177-70.20000111.5V91 A92V91-S122 VanDerWaalsContact CA-O 3.31Å; V91-S122 WeakPolarHBondContact CA-O 3.48Å; A92-S122 PolarHBondContact N-O 3.46Å
123Y95.2Very high89Confident46 Ų4666.3 Ų66.318%0.1835%0.348CS..EExtended strand (participates in β ladder)trans-144.4154.4176.172-92.5000112.3L81 A84 A92 S109 M113 Y120 Q121 L125L81-Y123 HydrophobicContact CD2-CD1 4.1Å; L81-Y123 HydrophobicContact CD2-CD2 3.71Å; L81-Y123 HydrophobicContact CD2-CE1 3.89Å; L81-Y123 HydrophobicContact CD2-CE2 3.5Å; L81-Y123 VanDerWaalsContact CD2-CE2 3.5Å; L81-Y123 HydrophobicContact CD2-CG 4.01Å; A84-Y123 HydrophobicContact CB-CD1 4.35Å; A92-Y123 CarbonylContact O-C 3.56Å; A92-Y123 WeakPolarHBondContact O-CA 3.23Å; A92-Y123 VanDerWaalsContact O-CB 3.27Å; A92-Y123 WeakPolarHBondContact O-CB 3.3Å; S109-Y123 WeakPolarHBondContact CA-OH 3.35Å; S109-Y123 VanDerWaalsContact CB-OH 3.25Å; S109-Y123 WeakPolarHBondContact CB-OH 3.25Å; S109-Y123 PolarHBondContact O-OH 2.9Å; M113-Y123 HydrophobicContact CB-CE1 4.48Å; M113-Y123 HydrophobicContact CG-CE1 4.28Å; Y120-Y123 AromaticContact CD2-CD1 3.94Å; Y120-Y123 HydrophobicContact CD2-CD1 3.94Å; Y120-Y123 AromaticContact CD2-CE1 3.9Å; Y120-Y123 HydrophobicContact CD2-CE1 3.9Å; Y120-Y123 AromaticContact CE2-CD1 3.97Å; Y120-Y123 HydrophobicContact CE2-CD1 3.97Å; Y120-Y123 AromaticContact CE2-CE1 3.58Å; Y120-Y123 HydrophobicContact CE2-CE1 3.58Å; Q121-Y123 PolarHBondContact O-N 3.43Å; Y123-L125 HydrophobicContact CD2-CD1 4.49Å; Y123-L125 HydrophobicContact CD2-CG 4.32Å; Y123-L125 HydrophobicContact CE2-CD1 4.26Å
124E96Very high90.1Very high75 Ų7572 Ų7235%0.3537%0.372SS..EExtended strand (participates in β ladder)trans-134.2136.6178.3-65.2178.9-134.700110.6A92 V93 G94 L126 Y138A92-E124 PolarHBondContact O-N 3.28Å; V93-E124 CarbonylContact C-O 3.52Å; V93-E124 WeakPolarHBondContact CA-O 3.4Å; V93-E124 HydrophobicContact CG1-CB 4.38Å; V93-E124 HydrophobicContact CG2-CB 4.33Å; G94-E124 PolarHBondContact N-O 3.44Å; E124-L126 HydrophobicContact CB-CD2 4.26Å; E124-L126 HydrophobicContact CB-CG 4.32Å; E124-Y138 PolarHBondContact OE2-OH 3.42Å
125L95.9Very high91Very high24 Ų2467.4 Ų67.413%0.12635%0.347CS..EExtended strand (participates in β ladder)trans-122108.5175.3-64.8170.4000108.1V80 A105 Y123V80-L125 HydrophobicContact CB-CD2 3.93Å; V80-L125 HydrophobicContact CG1-CD2 3.9Å; V80-L125 HydrophobicContact CG2-CD2 4.01Å; A105-L125 HydrophobicContact CB-CD1 4.07Å; Y123-L125 HydrophobicContact CD2-CD1 4.49Å; Y123-L125 HydrophobicContact CD2-CG 4.32Å; Y123-L125 HydrophobicContact CE2-CD1 4.26Å
126L96.8Very high91.8Very high33 Ų3362.4 Ų62.417%0.17333%0.328CS..EExtended strand (participates in β ladder)trans-111.1141.6-165.3-55.7174.1000111.2V93 G94 I95 E96 E124 F135 Y138V93-L126 HydrophobicContact CG1-CD1 3.68Å; V93-L126 HydrophobicContact CG1-CG 4.35Å; G94-L126 PolarHBondContact O-N 3.48Å; I95-L126 HydrophobicContact CG1-CB 4.31Å; I95-L126 HydrophobicContact CG1-CD1 4.26Å; E96-L126 PolarHBondContact N-O 3.29Å; E124-L126 HydrophobicContact CB-CD2 4.26Å; E124-L126 HydrophobicContact CB-CG 4.32Å; L126-F135 HydrophobicContact CB-CE1 3.92Å; L126-F135 HydrophobicContact CD1-CD1 4.24Å; L126-F135 HydrophobicContact CD1-CE1 4.11Å; L126-Y138 HydrophobicContact CD1-CD1 4.45Å; L126-Y138 HydrophobicContact CD1-CD2 3.77Å; L126-Y138 HydrophobicContact CD1-CE1 3.99Å; L126-Y138 HydrophobicContact CD1-CE2 3.22Å; L126-Y138 HydrophobicContact CD1-CG 4.35Å
127E96.5Very high92.5Very high88 Ų8863.4 Ų63.441%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-98.5118.9179.5-176.8174.9-174.100111.3E96 I102 R106 F135E96-E127 WeakPolarHBondContact O-CA 3.39Å; I102-E127 HydrophobicContact CG1-CB 3.81Å; I102-E127 HydrophobicContact CG1-CG 4.18Å; I102-E127 HydrophobicContact CG2-CG 4.06Å; R106-E127 IonicContact CZ-OE2 2.66Å; R106-E127 IonicContact NH1-OE2 2.79Å; R106-E127 PolarHBondContact NH1-OE2 3.23Å; R106-E127 IonicContact NH2-OE2 3.62Å; R106-E127 PolarHBondContact NH2-OE2 3.12Å; E127-F135 WeakPolarHBondContact O-CZ 3.29Å
128G95.1Very high93.3Very high12 Ų1262.3 Ų62.312%0.12431%0.309CS..SBendtrans153.1-179.9170.200000114.2I95 E96 C97I95-G128 WeakPolarHBondContact CG2-O 3.2Å; E96-G128 CarbonylContact C-O 3.52Å; E96-G128 PolarHBondContact O-N 2.87Å; C97-G128 WeakPolarHBondContact CA-O 3.45Å; C97-G128 VanDerWaalsContact CB-O 3.27Å; C97-G128 WeakPolarHBondContact CB-O 3.39Å; C97-G128 PolarHBondContact N-O 3.49Å
129D92.6Very high93.8Very high73 Ų7361.3 Ų61.339%0.3930%0.304SS..  trans-79.1120.6171.6-173-20.3000108.9M131 D132 F135D129-M131 PolarHBondContact O-N 2.95Å; D129-M131 WeakPolarHBondContact OD1-CB 3.29Å; D129-M131 WeakPolarHBondContact OD1-CG 3.37Å; D129-M131 PolarHBondContact OD1-N 3.22Å; D129-D132 VanDerWaalsContact O-CB 3.25Å; D129-D132 WeakPolarHBondContact O-CB 3.14Å; D129-D132 PolarHBondContact O-N 2.8Å; D129-F135 WeakPolarHBondContact O-CD2 3.34Å; D129-F135 WeakPolarHBondContact O-CE2 3.37Å
130F92.1Very high94Very high8 Ų859.4 Ų59.44%0.03529%0.288CS..THydrogen-bonded Turntrans-61.2-14.9179.651.9-109.1000113.6L72 I95 D132 I139 Y151 L153 I156L72-F130 HydrophobicContact CB-CD1 4.18Å; L72-F130 HydrophobicContact CB-CE1 4.34Å; L72-F130 HydrophobicContact CD2-CB 3.8Å; L72-F130 HydrophobicContact CD2-CD1 4.32Å; L72-F130 HydrophobicContact CD2-CG 3.97Å; I95-F130 HydrophobicContact CB-CB 4.23Å; I95-F130 HydrophobicContact CD1-CB 3.99Å; I95-F130 HydrophobicContact CG2-CB 3.9Å; F130-D132 VanDerWaalsContact C-N 3.28Å; F130-I139 WeakPolarHBondContact O-CD1 3.05Å; F130-Y151 HydrophobicContact CE1-CD2 4.27Å; F130-Y151 HydrophobicContact CE1-CE2 4.33Å; F130-Y151 HydrophobicContact CZ-CD1 4.34Å; F130-Y151 AromaticContact CZ-CD2 3.84Å; F130-Y151 HydrophobicContact CZ-CD2 3.84Å; F130-Y151 HydrophobicContact CZ-CE2 4.26Å; F130-Y151 AromaticContact CZ-CG 3.89Å; F130-Y151 HydrophobicContact CZ-CG 3.89Å; F130-L153 HydrophobicContact CE2-CD2 3.99Å; F130-L153 HydrophobicContact CZ-CD2 4.11Å; F130-I156 HydrophobicContact CD2-CD1 3.41Å; F130-I156 VanDerWaalsContact CD2-CD1 3.41Å; F130-I156 HydrophobicContact CE2-CD1 3.56Å
131M89.7Confident94.1Very high58 Ų5861.3 Ų61.329%0.28630%0.299SS..THydrogen-bonded Turntrans-74.2-17.5172.7-62.8-61.4-71.100113.1D129 E155 I156D129-M131 PolarHBondContact O-N 2.95Å; D129-M131 WeakPolarHBondContact OD1-CB 3.29Å; D129-M131 WeakPolarHBondContact OD1-CG 3.37Å; D129-M131 PolarHBondContact OD1-N 3.22Å; M131-E155 HydrophobicContact CE-CB 4.28Å; M131-E155 HydrophobicContact CE-CG 4.38Å; M131-E155 WeakPolarHBondContact CE-OE2 3.44Å; M131-I156 HydrophobicContact SD-CD1 3.59Å; M131-I156 VanDerWaalsContact SD-CD1 3.59Å; M131-I156 HydrophobicContact SD-CG1 3.6Å; M131-I156 VanDerWaalsContact SD-CG1 3.6Å
132D93Very high94.2Very high68 Ų6858 Ų5836%0.36429%0.285SS..SBendtrans-62.5141.1180-72.2-22.1000111.6D129 F130 K134 F135D129-D132 VanDerWaalsContact O-CB 3.25Å; D129-D132 WeakPolarHBondContact O-CB 3.14Å; D129-D132 PolarHBondContact O-N 2.8Å; F130-D132 VanDerWaalsContact C-N 3.28Å; D132-K134 HydrophobicContact CB-CD 4.43Å; D132-K134 HydrophobicContact CB-CG 3.94Å; D132-K134 PolarHBondContact O-N 3.3Å; D132-K134 WeakPolarHBondContact OD2-CE 3.39Å; D132-K134 IonicContact OD2-NZ 3.77Å; D132-F135 HydrophobicContact CB-CD2 4Å; D132-F135 HydrophobicContact CB-CE2 4.33Å; D132-F135 PolarHBondContact O-N 2.83Å
133E92.5Very high94.3Very high137 Ų13756 Ų5664%0.6427%0.269SS*.G310 helixtrans-53.6-32.9-179.5-172.260.4-152.700112.9F135 R136E133-F135 PolarHBondContact O-N 2.92Å; E133-F135 VanDerWaalsContact O-N 3.09Å; E133-R136 WeakPolarHBondContact O-CB 3.41Å; E133-R136 WeakPolarHBondContact O-CG 3.38Å; E133-R136 PolarHBondContact O-N 3.2Å; E133-R136 VanDerWaalsContact O-N 3.1Å; E133-R136 IonicContact OE2-CZ 3.91Å; E133-R136 IonicContact OE2-NE 3.12Å; E133-R136 IonicContact OE2-NH1 2.69Å
134K95.9Very high94.4Very high120 Ų12054 Ų5452%0.52226%0.261SS..G310 helixtrans-63.2-14.3179.271.4-174.9179175.40114.5D132 H137D132-K134 HydrophobicContact CB-CD 4.43Å; D132-K134 HydrophobicContact CB-CG 3.94Å; D132-K134 PolarHBondContact O-N 3.3Å; D132-K134 WeakPolarHBondContact OD2-CE 3.39Å; D132-K134 IonicContact OD2-NZ 3.77Å; K134-H137 PolarHBondContact O-CE1 2.8Å; K134-H137 VanDerWaalsContact O-CE1 3.26Å; K134-H137 PolarHBondContact O-ND1 2.78Å
135F95.1Very high94.3Very high11 Ų1150.5 Ų50.55%0.04825%0.245CC..G310 helixtrans-107.30.3177.3-58.5-60.4000113.8I95 L126 E127 D129 D132 E133 H137 Y138 I139I95-F135 HydrophobicContact CD1-CB 3.89Å; I95-F135 HydrophobicContact CD1-CD1 3.99Å; I95-F135 HydrophobicContact CD1-CD2 4.5Å; I95-F135 HydrophobicContact CD1-CG 3.9Å; I95-F135 HydrophobicContact CG1-CD1 4.42Å; I95-F135 HydrophobicContact CG2-CD2 4.29Å; I95-F135 HydrophobicContact CG2-CE1 4.4Å; I95-F135 HydrophobicContact CG2-CE2 3.98Å; I95-F135 HydrophobicContact CG2-CZ 4.02Å; L126-F135 HydrophobicContact CB-CE1 3.92Å; L126-F135 HydrophobicContact CD1-CD1 4.24Å; L126-F135 HydrophobicContact CD1-CE1 4.11Å; E127-F135 WeakPolarHBondContact O-CZ 3.29Å; D129-F135 WeakPolarHBondContact O-CD2 3.34Å; D129-F135 WeakPolarHBondContact O-CE2 3.37Å; D132-F135 HydrophobicContact CB-CD2 4Å; D132-F135 HydrophobicContact CB-CE2 4.33Å; D132-F135 PolarHBondContact O-N 2.83Å; E133-F135 PolarHBondContact O-N 2.92Å; E133-F135 VanDerWaalsContact O-N 3.09Å; F135-H137 PolarHBondContact O-N 3.14Å; F135-Y138 HydrophobicContact CB-CD2 4.44Å; F135-Y138 HydrophobicContact CD1-CD2 4.02Å; F135-Y138 HydrophobicContact CD1-CE2 4.18Å; F135-Y138 PolarHBondContact O-N 3Å; F135-Y138 VanDerWaalsContact O-N 3.08Å; F135-I139 PolarHBondContact O-N 3.26Å
136R92.5Very high94.1Very high71 Ų7149.5 Ų49.527%0.26824%0.239SC..Hα-helixtrans-58-34.1-177.9-72.1-73.5177.7102.9-15.2112.8E133 I139 N140 E155E133-R136 WeakPolarHBondContact O-CB 3.41Å; E133-R136 WeakPolarHBondContact O-CG 3.38Å; E133-R136 PolarHBondContact O-N 3.2Å; E133-R136 VanDerWaalsContact O-N 3.1Å; E133-R136 IonicContact OE2-CZ 3.91Å; E133-R136 IonicContact OE2-NE 3.12Å; E133-R136 IonicContact OE2-NH1 2.69Å; R136-I139 PolarHBondContact O-N 2.96Å; R136-N140 WeakPolarHBondContact O-CB 3.41Å; R136-N140 PolarHBondContact O-N 3.22Å; R136-N140 PolarHBondContact O-ND2 2.98Å; R136-N140 PolarHBondContact O-OD1 3.32Å; R136-E155 IonicContact NH2-OE1 2.64Å
137H94.8Very high93.6Very high85 Ų8548 Ų4839%0.39423%0.231SC..Hα-helixtrans-65.9-40.7177.168.6-77.4000112.2K134 F135 I139 N140 E141K134-H137 PolarHBondContact O-CE1 2.8Å; K134-H137 VanDerWaalsContact O-CE1 3.26Å; K134-H137 PolarHBondContact O-ND1 2.78Å; F135-H137 PolarHBondContact O-N 3.14Å; H137-I139 VanDerWaalsContact C-N 3.33Å; H137-I139 PolarHBondContact O-N 2.93Å; H137-N140 PolarHBondContact O-N 3.28Å; H137-E141 WeakPolarHBondContact O-CB 3.25Å; H137-E141 WeakPolarHBondContact O-CG 3.37Å; H137-E141 PolarHBondContact O-N 3.23Å
138Y95.4Very high92.7Very high43 Ų4344.7 Ų44.717%0.16922%0.216CC..Hα-helixtrans-63.1-40.8175.5-65.6-72.3000111.7V93 E124 L126 F135 E141 A142V93-Y138 HydrophobicContact CB-CD1 4.38Å; V93-Y138 HydrophobicContact CG1-CD1 3.84Å; V93-Y138 HydrophobicContact CG1-CE1 4.1Å; V93-Y138 HydrophobicContact CG1-CG 4.24Å; V93-Y138 HydrophobicContact CG2-CD1 3.91Å; V93-Y138 HydrophobicContact CG2-CE1 4.1Å; E124-Y138 PolarHBondContact OE2-OH 3.42Å; L126-Y138 HydrophobicContact CD1-CD1 4.45Å; L126-Y138 HydrophobicContact CD1-CD2 3.77Å; L126-Y138 HydrophobicContact CD1-CE1 3.99Å; L126-Y138 HydrophobicContact CD1-CE2 3.22Å; L126-Y138 HydrophobicContact CD1-CG 4.35Å; F135-Y138 HydrophobicContact CB-CD2 4.44Å; F135-Y138 HydrophobicContact CD1-CD2 4.02Å; F135-Y138 HydrophobicContact CD1-CE2 4.18Å; F135-Y138 PolarHBondContact O-N 3Å; F135-Y138 VanDerWaalsContact O-N 3.08Å; Y138-E141 PolarHBondContact O-N 2.99Å; Y138-A142 WeakPolarHBondContact O-CB 2.98Å; Y138-A142 PolarHBondContact O-N 3.35Å
139I92.8Very high91.3Very high2 Ų246 Ų461%0.0122%0.219CC..Hα-helixtrans-62.8-47176.1-65.8173000110.4L70 F130 F135 R136 H137 E141 A142 I156 L160L70-I139 HydrophobicContact CD2-CG1 4.09Å; F130-I139 WeakPolarHBondContact O-CD1 3.05Å; F135-I139 PolarHBondContact O-N 3.26Å; R136-I139 PolarHBondContact O-N 2.96Å; H137-I139 VanDerWaalsContact C-N 3.33Å; H137-I139 PolarHBondContact O-N 2.93Å; I139-E141 VanDerWaalsContact C-N 3.31Å; I139-E141 PolarHBondContact O-N 3.28Å; I139-A142 PolarHBondContact O-N 3.4Å; I139-I156 HydrophobicContact CD1-CD1 4.49Å; I139-I156 HydrophobicContact CD1-CG2 4.34Å; I139-I156 HydrophobicContact CG2-CG2 3.82Å; I139-L160 HydrophobicContact CG2-CD2 3.76Å; I139-L160 VanDerWaalsContact O-CD2 3.29Å; I139-L160 WeakPolarHBondContact O-CD2 3.27Å
140N91.7Very high89.7Confident69 Ų6948 Ų4837%0.36923%0.226SC..Hα-helixtrans-67.7-31-178.8-68-16.2000112.7R136 H137 N161R136-N140 WeakPolarHBondContact O-CB 3.41Å; R136-N140 PolarHBondContact O-N 3.22Å; R136-N140 PolarHBondContact O-ND2 2.98Å; R136-N140 PolarHBondContact O-OD1 3.32Å; H137-N140 PolarHBondContact O-N 3.28Å; N140-N161 PolarHBondContact O-ND2 3.45Å
141E94.4Very high88.2Confident110 Ų11053.2 Ų53.251%0.51425%0.246SC..Hα-helixtrans-85.6-15.8179.3-72.3-175170.700113.4S68 H137 Y138 I139 T143S68-E141 PolarHBondContact OG-O 2.9Å; H137-E141 WeakPolarHBondContact O-CB 3.25Å; H137-E141 WeakPolarHBondContact O-CG 3.37Å; H137-E141 PolarHBondContact O-N 3.23Å; Y138-E141 PolarHBondContact O-N 2.99Å; I139-E141 VanDerWaalsContact C-N 3.31Å; I139-E141 PolarHBondContact O-N 3.28Å; E141-T143 PolarHBondContact O-N 2.98Å
142A96.3Very high87.1Confident3 Ų354.8 Ų54.83%0.02526%0.263CS..  trans-64.9133.8-177.200000112.1L70 Y138 I139 V145 V164L70-A142 HydrophobicContact CB-CB 3.72Å; L70-A142 HydrophobicContact CD2-CB 3.88Å; L70-A142 HydrophobicContact CG-CB 4.47Å; Y138-A142 WeakPolarHBondContact O-CB 2.98Å; Y138-A142 PolarHBondContact O-N 3.35Å; I139-A142 PolarHBondContact O-N 3.4Å; A142-V145 HydrophobicContact CB-CG2 3.82Å; A142-V164 WeakPolarHBondContact O-CG2 3.45Å
143T96.6Very high86Confident40 Ų4051.6 Ų51.625%0.24525%0.246CC..SBendtrans-105.4-25.7170.964.20000112.1D67 S68 E141 V164 R165D67-T143 VanDerWaalsContact CA-OG1 3.25Å; D67-T143 WeakPolarHBondContact CA-OG1 3.28Å; D67-T143 WeakPolarHBondContact CB-OG1 3.37Å; D67-T143 PolarHBondContact OD1-OG1 3.41Å; S68-T143 PolarHBondContact N-OG1 3.44Å; S68-T143 PolarHBondContact O-N 3.48Å; S68-T143 PolarHBondContact O-OG1 2.91Å; S68-T143 PolarHBondContact OG-N 3.38Å; E141-T143 PolarHBondContact O-N 2.98Å; T143-V164 WeakPolarHBondContact O-CA 3.45Å; T143-R165 PolarHBondContact O-N 3.07Å
144Q95.9Very high85.1Confident4 Ų448.3 Ų48.32%0.01923%0.23CC..EExtended strand (participates in β ladder)trans-126.6120176.3-50-52.6-39.400108.8L61 I63 D67 S68 F69 L70 R165L61-Q144 HydrophobicContact CD1-CB 4.37Å; I63-Q144 HydrophobicContact CG1-CG 4.34Å; D67-Q144 HydrophobicContact CB-CG 4.14Å; D67-Q144 PolarHBondContact OD1-NE2 3.28Å; S68-Q144 PolarHBondContact O-N 3.32Å; S68-Q144 VanDerWaalsContact O-N 3.08Å; F69-Q144 CarbonylContact C-O 3.58Å; F69-Q144 WeakPolarHBondContact CA-O 3.49Å; F69-Q144 HydrophobicContact CD2-CB 3.89Å; L70-Q144 PolarHBondContact N-O 3.47Å; Q144-R165 CarbonylContact C-O 3.54Å; Q144-R165 WeakPolarHBondContact CA-O 3.49Å; Q144-R165 VanDerWaalsContact CD-NH2 3.3Å
145V93.9Very high84.2Confident1 Ų147.7 Ų47.71%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-116.6134.6-179.4-179.20000109.4L70 L72 A142 L160 V164 R165 I166 V167L70-V145 CarbonylContact O-C 3.49Å; L70-V145 WeakPolarHBondContact O-CA 3.32Å; L72-V145 HydrophobicContact CD1-CG1 3.85Å; L72-V145 HydrophobicContact CG-CG1 4.18Å; A142-V145 HydrophobicContact CB-CG2 3.82Å; V145-L160 HydrophobicContact CG2-CD1 4.11Å; V145-L160 HydrophobicContact CG2-CD2 4.03Å; V145-V164 HydrophobicContact CG2-CG1 3.9Å; V145-R165 PolarHBondContact N-O 3.4Å; V145-I166 HydrophobicContact CB-CB 4.47Å; V145-I166 HydrophobicContact CB-CG1 4.14Å; V145-I166 HydrophobicContact CB-CG2 4.36Å; V145-I166 HydrophobicContact CG1-CG2 4.37Å; V145-I166 CarbonylContact O-C 3.49Å; V145-I166 VanDerWaalsContact O-CA 3.26Å; V145-I166 WeakPolarHBondContact O-CA 3.26Å; V145-V167 PolarHBondContact O-N 3.32Å
146Y92.1Very high83.5Confident4 Ų447.4 Ų47.42%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-117.4135.5170.1179.5-116.4000109.8T49 M57 F69 L70 D71 L72 V79 F148 V167T49-Y146 WeakPolarHBondContact CG2-OH 3.42Å; T49-Y146 PolarHBondContact OG1-OH 2.81Å; M57-Y146 HydrophobicContact SD-CD2 3.6Å; M57-Y146 HydrophobicContact SD-CE2 4.12Å; M57-Y146 HydrophobicContact SD-CG 4Å; F69-Y146 HydrophobicContact CZ-CG 4.42Å; L70-Y146 PolarHBondContact O-N 3.45Å; D71-Y146 WeakPolarHBondContact OD1-CD1 3.21Å; L72-Y146 PolarHBondContact N-O 3.3Å; V79-Y146 HydrophobicContact CG1-CD1 4.02Å; V79-Y146 HydrophobicContact CG1-CE1 4.31Å; V79-Y146 HydrophobicContact CG2-CD1 4.49Å; V79-Y146 HydrophobicContact CG2-CE1 4.05Å; Y146-F148 HydrophobicContact CE1-CB 4.26Å; Y146-F148 VanDerWaalsContact OH-CD2 3.25Å; Y146-F148 WeakPolarHBondContact OH-CD2 3.26Å; Y146-V167 WeakPolarHBondContact CA-O 3.49Å; Y146-V167 HydrophobicContact CD2-CB 3.91Å; Y146-V167 HydrophobicContact CD2-CG1 3.89Å; Y146-V167 WeakPolarHBondContact CD2-O 3.43Å; Y146-V167 HydrophobicContact CE2-CG1 4.13Å
147C87.5Confident82.9Confident1 Ų144.9 Ų44.91%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-148.9125.2168.9-169.40000111.7L72 L153 V167 S168L72-C147 HydrophobicContact CB-CB 4.08Å; L72-C147 PolarHBondContact O-SG 3.07Å; C147-L153 HydrophobicContact CB-CD1 3.66Å; C147-L153 WeakPolarHBondContact SG-CD1 3.36Å; C147-V167 PolarHBondContact N-O 2.97Å; C147-S168 VanDerWaalsContact O-CA 3.3Å; C147-S168 WeakPolarHBondContact O-CA 3.48Å
148F77.4Confident82Confident18 Ų1844.7 Ų44.78%0.07922%0.221CC..  trans-94.9-8.5-176.3-167.4-106.1000114.2M53 Y146 S169 V198 W200 L205M53-F148 HydrophobicContact CE-CD2 4.4Å; M53-F148 HydrophobicContact CE-CE2 4.21Å; Y146-F148 HydrophobicContact CE1-CB 4.26Å; Y146-F148 VanDerWaalsContact OH-CD2 3.25Å; Y146-F148 WeakPolarHBondContact OH-CD2 3.26Å; F148-S169 PolarHBondContact O-OG 3.24Å; F148-V198 HydrophobicContact CE2-CG1 4.22Å; F148-V198 HydrophobicContact CZ-CB 4.48Å; F148-V198 HydrophobicContact CZ-CG1 3.94Å; F148-W200 HydrophobicContact CE1-CZ2 4.48Å; F148-W200 AromaticContact CE1-NE1 3.61Å; F148-W200 AromaticContact CZ-NE1 3.83Å; F148-L205 HydrophobicContact CE2-CD1 4.3Å; F148-L205 HydrophobicContact CZ-CD1 3.74Å
149H66Low81.4Confident41 Ų4144.9 Ų44.919%0.1923%0.226CC..SBendtrans-114.9164.6-166.1-80.7-65.2000116.3Y151H149-Y151 HydrophobicContact CB-CD2 3.85Å; H149-Y151 HydrophobicContact CB-CE2 3.94Å; H149-Y151 PolarHBondContact O-N 2.75Å; H149-Y151 VanDerWaalsContact O-N 3.09Å
150E58.8Low81.1Confident114 Ų11444.8 Ų44.853%0.53323%0.226SC..  trans-7615.6-170.6-47.8-167.7146.500115.1R170E150-R170 VanDerWaalsContact CG-NH2 3.34Å; E150-R170 IonicContact OE1-CZ 2.69Å; E150-R170 IonicContact OE1-NH2 3.09Å; E150-R170 PolarHBondContact OE1-NH2 2.88Å; E150-R170 IonicContact OE2-NH2 3.81Å; E150-R170 PolarHBondContact OE2-NH2 3.01Å
151Y60.9Low81Confident117 Ų11745.8 Ų45.846%0.45923%0.231SC..  trans-60.7145.9177.5-67.2-77.5000109.7F130 H149 L153F130-Y151 HydrophobicContact CE1-CD2 4.27Å; F130-Y151 HydrophobicContact CE1-CE2 4.33Å; F130-Y151 HydrophobicContact CZ-CD1 4.34Å; F130-Y151 AromaticContact CZ-CD2 3.84Å; F130-Y151 HydrophobicContact CZ-CD2 3.84Å; F130-Y151 HydrophobicContact CZ-CE2 4.26Å; F130-Y151 AromaticContact CZ-CG 3.89Å; F130-Y151 HydrophobicContact CZ-CG 3.89Å; H149-Y151 HydrophobicContact CB-CD2 3.85Å; H149-Y151 HydrophobicContact CB-CE2 3.94Å; H149-Y151 PolarHBondContact O-N 2.75Å; H149-Y151 VanDerWaalsContact O-N 3.09Å; Y151-L153 WeakPolarHBondContact O-CG 3.44Å; Y151-L153 PolarHBondContact O-N 2.99Å
152S64.9Low80.8Confident92 Ų9244.5 Ų44.564%0.64323%0.228SC*.  trans-7087.7166.2-172.30000107.1E154S152-E154 WeakPolarHBondContact CA-OE2 3.47Å; S152-E154 VanDerWaalsContact CB-OE2 3.29Å; S152-E154 WeakPolarHBondContact CB-OE2 3.34Å; S152-E154 PolarHBondContact OG-OE2 3.44Å
153L71.3Confident80.5Confident1 Ų146.4 Ų46.41%0.00525%0.248CC..  trans-87.82.1-177.9-61.7168.9000111.8L72 F130 C147 Y151 E155 I156 F157 F172L72-L153 HydrophobicContact CD1-CD2 4.37Å; F130-L153 HydrophobicContact CE2-CD2 3.99Å; F130-L153 HydrophobicContact CZ-CD2 4.11Å; C147-L153 HydrophobicContact CB-CD1 3.66Å; C147-L153 WeakPolarHBondContact SG-CD1 3.36Å; Y151-L153 WeakPolarHBondContact O-CG 3.44Å; Y151-L153 PolarHBondContact O-N 2.99Å; L153-E155 PolarHBondContact O-N 3.45Å; L153-I156 HydrophobicContact CD2-CD1 3.83Å; L153-I156 PolarHBondContact O-N 3.41Å; L153-F157 HydrophobicContact CB-CD1 4.37Å; L153-F157 HydrophobicContact CB-CD2 4.25Å; L153-F157 HydrophobicContact CB-CE1 3.76Å; L153-F157 HydrophobicContact CB-CE2 3.59Å; L153-F157 HydrophobicContact CB-CZ 3.33Å; L153-F157 HydrophobicContact CD1-CE1 4.27Å; L153-F157 HydrophobicContact CD1-CE2 4.49Å; L153-F157 HydrophobicContact CD1-CZ 3.68Å; L153-F157 HydrophobicContact CG-CZ 4.15Å; L153-F157 WeakPolarHBondContact O-CD2 3.38Å; L153-F157 VanDerWaalsContact O-CG 3.26Å; L153-F157 WeakPolarHBondContact O-CG 3.32Å; L153-F157 PolarHBondContact O-N 3.2Å; L153-F172 HydrophobicContact CD1-CE1 4.49Å; L153-F172 HydrophobicContact CD1-CZ 4.18Å
154E73.5Confident80.3Confident68 Ų6844.7 Ų44.732%0.31824%0.237SC..Hα-helixtrans-53.7-42.8179.7-66.481.8178.100110.4S152 I156 F157 L158 M184S152-E154 WeakPolarHBondContact CA-OE2 3.47Å; S152-E154 VanDerWaalsContact CB-OE2 3.29Å; S152-E154 WeakPolarHBondContact CB-OE2 3.34Å; S152-E154 PolarHBondContact OG-OE2 3.44Å; E154-I156 PolarHBondContact O-N 3Å; E154-F157 PolarHBondContact O-N 2.92Å; E154-L158 VanDerWaalsContact O-CG 3.28Å; E154-L158 WeakPolarHBondContact O-CG 3.46Å; E154-L158 PolarHBondContact O-N 3.47Å; E154-L158 VanDerWaalsContact O-N 3.14Å; E154-M184 HydrophobicContact CG-CE 4.48Å; E154-M184 HydrophobicContact CG-SD 4.02Å
155E75.9Confident80.1Confident106 Ų10647.2 Ų47.250%0.49525%0.247SC..Hα-helixtrans-61.5-43.2177.8-171.1178.9171.800112.5M131 R136 L153 L158M131-E155 HydrophobicContact CE-CB 4.28Å; M131-E155 HydrophobicContact CE-CG 4.38Å; M131-E155 WeakPolarHBondContact CE-OE2 3.44Å; R136-E155 IonicContact NH2-OE1 2.64Å; L153-E155 PolarHBondContact O-N 3.45Å; E155-L158 PolarHBondContact O-N 3.38Å
156I80.5Confident79.8Confident6 Ų647.3 Ų47.33%0.03125%0.247CC..Hα-helixtrans-65-42.6177.5-62.2-178.9000110.3L72 F130 M131 I139 L153 E154 L158 T159 L160L72-I156 HydrophobicContact CD1-CD1 4.05Å; L72-I156 HydrophobicContact CD1-CG2 4.3Å; F130-I156 HydrophobicContact CD2-CD1 3.41Å; F130-I156 VanDerWaalsContact CD2-CD1 3.41Å; F130-I156 HydrophobicContact CE2-CD1 3.56Å; M131-I156 HydrophobicContact SD-CD1 3.59Å; M131-I156 VanDerWaalsContact SD-CD1 3.59Å; M131-I156 HydrophobicContact SD-CG1 3.6Å; M131-I156 VanDerWaalsContact SD-CG1 3.6Å; I139-I156 HydrophobicContact CD1-CD1 4.49Å; I139-I156 HydrophobicContact CD1-CG2 4.34Å; I139-I156 HydrophobicContact CG2-CG2 3.82Å; L153-I156 HydrophobicContact CD2-CD1 3.83Å; L153-I156 PolarHBondContact O-N 3.41Å; E154-I156 PolarHBondContact O-N 3Å; I156-L158 PolarHBondContact O-N 3.08Å; I156-T159 PolarHBondContact O-N 3.26Å; I156-T159 PolarHBondContact O-OG1 2.63Å; I156-L160 PolarHBondContact O-N 3.06Å
157F80.3Confident79.6Confident18 Ų1847.1 Ų47.18%0.07925%0.246CC..Hα-helixtrans-66.9-24.1-178.3-57.8-21.8000113.1L153 E154 T159 L160 I166 F172 I212L153-F157 HydrophobicContact CB-CD1 4.37Å; L153-F157 HydrophobicContact CB-CD2 4.25Å; L153-F157 HydrophobicContact CB-CE1 3.76Å; L153-F157 HydrophobicContact CB-CE2 3.59Å; L153-F157 HydrophobicContact CB-CZ 3.33Å; L153-F157 HydrophobicContact CD1-CE1 4.27Å; L153-F157 HydrophobicContact CD1-CE2 4.49Å; L153-F157 HydrophobicContact CD1-CZ 3.68Å; L153-F157 HydrophobicContact CG-CZ 4.15Å; L153-F157 WeakPolarHBondContact O-CD2 3.38Å; L153-F157 VanDerWaalsContact O-CG 3.26Å; L153-F157 WeakPolarHBondContact O-CG 3.32Å; L153-F157 PolarHBondContact O-N 3.2Å; E154-F157 PolarHBondContact O-N 2.92Å; F157-T159 VanDerWaalsContact C-N 3.27Å; F157-T159 PolarHBondContact O-N 3.34Å; F157-L160 HydrophobicContact CD1-CD1 3.73Å; F157-L160 HydrophobicContact CE1-CD1 4.47Å; F157-I166 HydrophobicContact CB-CD1 4.45Å; F157-I166 HydrophobicContact CD1-CD1 3.58Å; F157-I166 HydrophobicContact CD1-CG1 4.41Å; F157-I166 HydrophobicContact CD2-CD1 4.43Å; F157-I166 HydrophobicContact CE1-CD1 3.83Å; F157-I166 HydrophobicContact CE1-CG1 4.32Å; F157-I166 HydrophobicContact CE1-CG2 3.81Å; F157-I166 HydrophobicContact CG-CD1 3.9Å; F157-I166 HydrophobicContact CZ-CD1 4.37Å; F157-I166 HydrophobicContact CZ-CG2 3.89Å; F157-F172 HydrophobicContact CD2-CD1 4.41Å; F157-F172 HydrophobicContact CD2-CD2 4.19Å; F157-F172 HydrophobicContact CD2-CE2 4.31Å; F157-F172 HydrophobicContact CD2-CG 4.26Å; F157-F172 AromaticContact CE2-CD1 3.61Å; F157-F172 HydrophobicContact CE2-CD1 3.61Å; F157-F172 AromaticContact CE2-CD2 3.44Å; F157-F172 HydrophobicContact CE2-CD2 3.44Å; F157-F172 VanDerWaalsContact CE2-CD2 3.44Å; F157-F172 AromaticContact CE2-CE1 3.41Å; F157-F172 HydrophobicContact CE2-CE1 3.41Å; F157-F172 VanDerWaalsContact CE2-CE1 3.41Å; F157-F172 AromaticContact CE2-CE2 3.2Å; F157-F172 HydrophobicContact CE2-CE2 3.2Å; F157-F172 AromaticContact CE2-CG 3.65Å; F157-F172 HydrophobicContact CE2-CG 3.65Å; F157-F172 AromaticContact CE2-CZ 3.21Å; F157-F172 HydrophobicContact CE2-CZ 3.21Å; F157-F172 HydrophobicContact CZ-CD2 4.09Å; F157-F172 AromaticContact CZ-CE1 3.91Å; F157-F172 HydrophobicContact CZ-CE1 3.91Å; F157-F172 AromaticContact CZ-CE2 3.39Å; F157-F172 HydrophobicContact CZ-CE2 3.39Å; F157-F172 AromaticContact CZ-CZ 3.31Å; F157-F172 HydrophobicContact CZ-CZ 3.31Å; F157-I212 HydrophobicContact CB-CD1 4.5Å
158L76.9Confident79.4Confident81 Ų8147.2 Ų47.242%0.42425%0.247SC..Hα-helixtrans-71.2-21.4171.7-64.1175.8000113.3E154 E155 I156 N183 R214E154-L158 VanDerWaalsContact O-CG 3.28Å; E154-L158 WeakPolarHBondContact O-CG 3.46Å; E154-L158 PolarHBondContact O-N 3.47Å; E154-L158 VanDerWaalsContact O-N 3.14Å; E155-L158 PolarHBondContact O-N 3.38Å; I156-L158 PolarHBondContact O-N 3.08Å; L158-N183 WeakPolarHBondContact CD2-O 3.29Å; L158-R214 PolarHBondContact O-NH2 3.1Å
159T81.9Confident79.3Confident47 Ų4747.7 Ų47.729%0.28825%0.252SS..Hα-helixtrans-93.6-20.1178.567.80000113.3I156 F157I156-T159 PolarHBondContact O-N 3.26Å; I156-T159 PolarHBondContact O-OG1 2.63Å; F157-T159 VanDerWaalsContact C-N 3.27Å; F157-T159 PolarHBondContact O-N 3.34Å
160L87.1Confident79.6Confident0 Ų051.3 Ų51.30%026%0.264CS..SBendtrans-62.7144179.7-67.2175.1000113.1I139 V145 I156 F157 V164 I166 I212 R214I139-L160 HydrophobicContact CG2-CD2 3.76Å; I139-L160 VanDerWaalsContact O-CD2 3.29Å; I139-L160 WeakPolarHBondContact O-CD2 3.27Å; V145-L160 HydrophobicContact CG2-CD1 4.11Å; V145-L160 HydrophobicContact CG2-CD2 4.03Å; I156-L160 PolarHBondContact O-N 3.06Å; F157-L160 HydrophobicContact CD1-CD1 3.73Å; F157-L160 HydrophobicContact CE1-CD1 4.47Å; L160-V164 HydrophobicContact CB-CB 4.25Å; L160-V164 HydrophobicContact CB-CG1 4.27Å; L160-V164 HydrophobicContact CB-CG2 4.3Å; L160-V164 HydrophobicContact CD1-CG1 3.94Å; L160-V164 HydrophobicContact CD2-CG1 4.28Å; L160-V164 HydrophobicContact CG-CG1 4.39Å; L160-I166 HydrophobicContact CD1-CD1 3.66Å; L160-I166 HydrophobicContact CD1-CG1 3.8Å; L160-I212 HydrophobicContact CB-CG1 4.27Å; L160-R214 PolarHBondContact O-NE 3.01Å; L160-R214 PolarHBondContact O-NH2 3.4Å
161N89.3Confident80.1Confident89 Ų8949.9 Ų49.948%0.47626%0.256SS..PPolyproline II helixtrans-65.6162179-71.5-32.7000112.7N140 V164 I212N140-N161 PolarHBondContact O-ND2 3.45Å; N161-V164 HydrophobicContact CB-CG2 3.99Å; N161-V164 WeakPolarHBondContact O-CB 3.36Å; N161-V164 WeakPolarHBondContact O-CG2 3.42Å; N161-V164 PolarHBondContact O-N 3.45Å; N161-I212 WeakPolarHBondContact O-CG2 3.36Å
162D88.9Confident80.4Confident83 Ų8345.5 Ų45.544%0.44424%0.24SC..THydrogen-bonded Turntrans-60.1141.7171.2-166.651.5000110.9V164 R214D162-V164 VanDerWaalsContact C-N 3.25Å; D162-V164 PolarHBondContact O-N 2.81Å; D162-R214 HydrophobicContact CB-CB 4.35Å; D162-R214 HydrophobicContact CB-CG 4.26Å; D162-R214 WeakPolarHBondContact OD1-CB 3.1Å; D162-R214 PolarHBondContact OD1-N 2.86Å
163G90Very high80Confident43 Ų4344.1 Ų44.144%0.44323%0.234SC..THydrogen-bonded Turntrans79.9-7-178.900000115.5R165 I212G163-R165 PolarHBondContact O-N 3.46Å; G163-I212 WeakPolarHBondContact CA-O 3.37Å; G163-I212 PolarHBondContact N-O 3.14Å
164V92.2Very high78.8Confident4 Ų449.1 Ų49.12%0.02426%0.257CS..  trans-59.8132.5175.3174.80000109.9A142 T143 V145 L160 N161 D162 I166 T211 I212A142-V164 WeakPolarHBondContact O-CG2 3.45Å; T143-V164 WeakPolarHBondContact O-CA 3.45Å; V145-V164 HydrophobicContact CG2-CG1 3.9Å; L160-V164 HydrophobicContact CB-CB 4.25Å; L160-V164 HydrophobicContact CB-CG1 4.27Å; L160-V164 HydrophobicContact CB-CG2 4.3Å; L160-V164 HydrophobicContact CD1-CG1 3.94Å; L160-V164 HydrophobicContact CD2-CG1 4.28Å; L160-V164 HydrophobicContact CG-CG1 4.39Å; N161-V164 HydrophobicContact CB-CG2 3.99Å; N161-V164 WeakPolarHBondContact O-CB 3.36Å; N161-V164 WeakPolarHBondContact O-CG2 3.42Å; N161-V164 PolarHBondContact O-N 3.45Å; D162-V164 VanDerWaalsContact C-N 3.25Å; D162-V164 PolarHBondContact O-N 2.81Å; V164-I166 HydrophobicContact CG1-CG1 4.36Å; V164-T211 WeakPolarHBondContact O-CA 3.37Å; V164-I212 HydrophobicContact CB-CB 4.47Å; V164-I212 HydrophobicContact CB-CG1 4.19Å; V164-I212 PolarHBondContact O-N 2.69Å
165R91.9Very high77.1Confident58 Ų5848.6 Ų48.622%0.21926%0.26CS..EExtended strand (participates in β ladder)trans-102.7136.5174.3-60.5177-69.4-174.7-11.5110.5L61 T143 Q144 V145 G163 H210 T211L61-R165 HydrophobicContact CD2-CB 4.23Å; L61-R165 PolarHBondContact O-NH1 3.42Å; L61-R165 PolarHBondContact O-NH2 2.76Å; T143-R165 PolarHBondContact O-N 3.07Å; Q144-R165 CarbonylContact C-O 3.54Å; Q144-R165 WeakPolarHBondContact CA-O 3.49Å; Q144-R165 VanDerWaalsContact CD-NH2 3.3Å; V145-R165 PolarHBondContact N-O 3.4Å; G163-R165 PolarHBondContact O-N 3.46Å; R165-H210 CarbonylContact C-O 3.47Å; R165-H210 WeakPolarHBondContact CA-O 3.36Å; R165-T211 HydrophobicContact CG-CG2 4.15Å
166I89Confident75.2Confident2 Ų249.2 Ų49.21%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-121.1130-176.9-53.3153.2000107.8V145 F157 L160 V164 F172 I209 H210 I212V145-I166 HydrophobicContact CB-CB 4.47Å; V145-I166 HydrophobicContact CB-CG1 4.14Å; V145-I166 HydrophobicContact CB-CG2 4.36Å; V145-I166 HydrophobicContact CG1-CG2 4.37Å; V145-I166 CarbonylContact O-C 3.49Å; V145-I166 VanDerWaalsContact O-CA 3.26Å; V145-I166 WeakPolarHBondContact O-CA 3.26Å; F157-I166 HydrophobicContact CB-CD1 4.45Å; F157-I166 HydrophobicContact CD1-CD1 3.58Å; F157-I166 HydrophobicContact CD1-CG1 4.41Å; F157-I166 HydrophobicContact CD2-CD1 4.43Å; F157-I166 HydrophobicContact CE1-CD1 3.83Å; F157-I166 HydrophobicContact CE1-CG1 4.32Å; F157-I166 HydrophobicContact CE1-CG2 3.81Å; F157-I166 HydrophobicContact CG-CD1 3.9Å; F157-I166 HydrophobicContact CZ-CD1 4.37Å; F157-I166 HydrophobicContact CZ-CG2 3.89Å; L160-I166 HydrophobicContact CD1-CD1 3.66Å; L160-I166 HydrophobicContact CD1-CG1 3.8Å; V164-I166 HydrophobicContact CG1-CG1 4.36Å; I166-F172 HydrophobicContact CG2-CE2 4.31Å; I166-I209 CarbonylContact O-C 3.56Å; I166-I209 WeakPolarHBondContact O-CA 3.15Å; I166-H210 HydrophobicContact CB-CB 3.99Å; I166-H210 PolarHBondContact N-O 3.1Å; I166-H210 WeakPolarHBondContact O-CB 3.44Å; I166-H210 PolarHBondContact O-N 2.53Å; I166-I212 HydrophobicContact CD1-CD1 3.68Å; I166-I212 HydrophobicContact CD1-CG1 3.97Å
167V87.8Confident73.2Confident1 Ų158.1 Ų58.11%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-109.3121.5173.5-1780000108.3M57 L61 V145 Y146 C147 Y207 F208 I209M57-V167 HydrophobicContact CG-CB 4.39Å; M57-V167 HydrophobicContact CG-CG1 4.11Å; M57-V167 HydrophobicContact CG-CG2 4.07Å; M57-V167 HydrophobicContact SD-CB 4.18Å; M57-V167 HydrophobicContact SD-CG1 4.07Å; M57-V167 HydrophobicContact SD-CG2 4.36Å; L61-V167 HydrophobicContact CD1-CG2 3.93Å; L61-V167 HydrophobicContact CD2-CG2 3.68Å; L61-V167 HydrophobicContact CG-CG2 4.05Å; V145-V167 PolarHBondContact O-N 3.32Å; Y146-V167 WeakPolarHBondContact CA-O 3.49Å; Y146-V167 HydrophobicContact CD2-CB 3.91Å; Y146-V167 HydrophobicContact CD2-CG1 3.89Å; Y146-V167 WeakPolarHBondContact CD2-O 3.43Å; Y146-V167 HydrophobicContact CE2-CG1 4.13Å; C147-V167 PolarHBondContact N-O 2.97Å; V167-Y207 HydrophobicContact CG1-CD2 3.92Å; V167-F208 WeakPolarHBondContact CA-O 3.38Å; V167-I209 HydrophobicContact CG2-CG1 4.16Å
168S83.9Confident71Confident2 Ų267.1 Ų67.11%0.01434%0.341CS..EExtended strand (participates in β ladder)trans-137156.8-175.161.60000113.6C147 R170 F172 Y207 F208 H210C147-S168 VanDerWaalsContact O-CA 3.3Å; C147-S168 WeakPolarHBondContact O-CA 3.48Å; S168-R170 VanDerWaalsContact C-N 3.28Å; S168-R170 PolarHBondContact OG-O 2.88Å; S168-F172 WeakPolarHBondContact OG-CE2 3.24Å; S168-Y207 CarbonylContact O-C 3.42Å; S168-Y207 VanDerWaalsContact O-CA 3.23Å; S168-Y207 WeakPolarHBondContact O-CA 3.29Å; S168-Y207 WeakPolarHBondContact O-CB 3.27Å; S168-F208 PolarHBondContact N-O 3.13Å; S168-F208 PolarHBondContact O-N 3.13Å; S168-H210 PolarHBondContact OG-CD2 3.09Å; S168-H210 VanDerWaalsContact OG-CD2 3.31Å; S168-H210 PolarHBondContact OG-NE2 2.96Å
169S74.8Confident68.9Low28 Ų2870.2 Ų70.220%0.19636%0.358CS..SBendtrans-79.6-10172.962.30000113.6F148F148-S169 PolarHBondContact O-OG 3.24Å
170R71.8Confident66.4Low117 Ų11775.2 Ų75.244%0.44238%0.383SS..SBendtrans-124.9137.9179.8-71.4-176.7170.2-164.5-4.7110.5E150 S168 F172E150-R170 VanDerWaalsContact CG-NH2 3.34Å; E150-R170 IonicContact OE1-CZ 2.69Å; E150-R170 IonicContact OE1-NH2 3.09Å; E150-R170 PolarHBondContact OE1-NH2 2.88Å; E150-R170 IonicContact OE2-NH2 3.81Å; E150-R170 PolarHBondContact OE2-NH2 3.01Å; S168-R170 VanDerWaalsContact C-N 3.28Å; S168-R170 PolarHBondContact OG-O 2.88Å; R170-F172 PolarHBondContact O-N 3.05Å
171K69.9Low64.3Low84 Ų8477.8 Ų77.837%0.36540%0.404SS..  trans-68.1115.7166-170.3176.4-179.2-179.70107.7E174 F208K171-E174 VanDerWaalsContact CE-OE1 3.28Å; K171-E174 WeakPolarHBondContact CE-OE1 3.02Å; K171-E174 VanDerWaalsContact NZ-CD 3.34Å; K171-E174 IonicContact NZ-OE1 3.95Å; K171-E174 PolarHBondContact NZ-OE1 3.34Å; K171-F208 HydrophobicContact CB-CD1 3.83Å; K171-F208 HydrophobicContact CB-CD2 4.23Å; K171-F208 HydrophobicContact CB-CE1 3.71Å; K171-F208 HydrophobicContact CB-CE2 4.13Å; K171-F208 HydrophobicContact CB-CG 4.09Å; K171-F208 HydrophobicContact CB-CZ 3.86Å; K171-F208 HydrophobicContact CD-CE1 4.35Å; K171-F208 HydrophobicContact CG-CD1 4.19Å; K171-F208 HydrophobicContact CG-CE1 4.28Å; K171-F208 VanDerWaalsContact N-CE2 3.28Å
172F66.7Low61.8Low26 Ų2684.4 Ų84.411%0.11442%0.422CS..PPolyproline II helixtrans-67.5147.5167.4-56.7-63.1000109.9L153 F157 I166 S168 R170 E174 M184 H210L153-F172 HydrophobicContact CD1-CE1 4.49Å; L153-F172 HydrophobicContact CD1-CZ 4.18Å; F157-F172 HydrophobicContact CD2-CD1 4.41Å; F157-F172 HydrophobicContact CD2-CD2 4.19Å; F157-F172 HydrophobicContact CD2-CE2 4.31Å; F157-F172 HydrophobicContact CD2-CG 4.26Å; F157-F172 AromaticContact CE2-CD1 3.61Å; F157-F172 HydrophobicContact CE2-CD1 3.61Å; F157-F172 AromaticContact CE2-CD2 3.44Å; F157-F172 HydrophobicContact CE2-CD2 3.44Å; F157-F172 VanDerWaalsContact CE2-CD2 3.44Å; F157-F172 AromaticContact CE2-CE1 3.41Å; F157-F172 HydrophobicContact CE2-CE1 3.41Å; F157-F172 VanDerWaalsContact CE2-CE1 3.41Å; F157-F172 AromaticContact CE2-CE2 3.2Å; F157-F172 HydrophobicContact CE2-CE2 3.2Å; F157-F172 AromaticContact CE2-CG 3.65Å; F157-F172 HydrophobicContact CE2-CG 3.65Å; F157-F172 AromaticContact CE2-CZ 3.21Å; F157-F172 HydrophobicContact CE2-CZ 3.21Å; F157-F172 HydrophobicContact CZ-CD2 4.09Å; F157-F172 AromaticContact CZ-CE1 3.91Å; F157-F172 HydrophobicContact CZ-CE1 3.91Å; F157-F172 AromaticContact CZ-CE2 3.39Å; F157-F172 HydrophobicContact CZ-CE2 3.39Å; F157-F172 AromaticContact CZ-CZ 3.31Å; F157-F172 HydrophobicContact CZ-CZ 3.31Å; I166-F172 HydrophobicContact CG2-CE2 4.31Å; S168-F172 WeakPolarHBondContact OG-CE2 3.24Å; R170-F172 PolarHBondContact O-N 3.05Å; F172-E174 PolarHBondContact O-N 2.84Å; F172-M184 HydrophobicContact CB-CE 4.23Å; F172-H210 AromaticContact CD2-CD2 3.63Å; F172-H210 AromaticContact CD2-CE1 3.65Å; F172-H210 AromaticContact CD2-CG 3.9Å; F172-H210 AromaticContact CD2-ND1 3.88Å; F172-H210 AromaticContact CD2-NE2 3.46Å; F172-H210 WeakPolarHBondContact CD2-NE2 3.34Å; F172-H210 AromaticContact CE2-CD2 3.92Å; F172-H210 PolarHBondContact N-CE1 3.03Å; F172-H210 VanDerWaalsContact N-CE1 3.33Å
173A56.7Low59.4Low63 Ų6385.3 Ų85.352%0.52143%0.427SS..PPolyproline II helixtrans-49.8126.8-174.200000110.7M184A173-M184 HydrophobicContact CB-CE 4.12Å; A173-M184 HydrophobicContact CB-SD 3.95Å
174E45.2Very low56.8Low106 Ų10686 Ų8650%0.49542%0.419SS..PPolyproline II helixtrans-61138.9158.7-74.2179.518000106.6K171 F172 D176 F190K171-E174 VanDerWaalsContact CE-OE1 3.28Å; K171-E174 WeakPolarHBondContact CE-OE1 3.02Å; K171-E174 VanDerWaalsContact NZ-CD 3.34Å; K171-E174 IonicContact NZ-OE1 3.95Å; K171-E174 PolarHBondContact NZ-OE1 3.34Å; F172-E174 PolarHBondContact O-N 2.84Å; E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 2.87Å; E174-F190 WeakPolarHBondContact OE1-CE1 3.04Å
175P39.5Very low54.4Low57 Ų5789 Ų8937%0.3744%0.435SS..  trans-55.3104.2172.2-20.530.6000107.9Q177P175-Q177 PolarHBondContact O-N 3.24Å; P175-Q177 VanDerWaalsContact O-N 3.12Å
176D34.1Very low51.8Low118 Ų11887.6 Ų87.663%0.63144%0.439SS*.  trans-58119.8-174.3-149.1-19.8000107.5E174 R178E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 2.87Å; D176-R178 PolarHBondContact O-N 3.28Å
177Q39Very low49.6Very low194 Ų19489 Ų8991%0.90745%0.449SS*.SBendtrans-63.6-6.3-177.4-77.4-167.6-32.200112.5P175P175-Q177 PolarHBondContact O-N 3.24Å; P175-Q177 VanDerWaalsContact O-N 3.12Å
178R33.9Very low47.3Very low206 Ų20690.7 Ų90.778%0.77746%0.461SS*.SBendtrans-139.8114168.5-76.3179.2163.8157.1-5.6109.4D176D176-R178 PolarHBondContact O-N 3.28Å
179L33.4Very low45.5Very low147 Ų14797.1 Ų97.177%0.7749%0.49SS*.SBendtrans92.2116.5156.6-51.7154.3000116.2
180N30.3Very low44.1Very low152 Ų152100.8 Ų100.881%0.81350%0.503SS*.  trans68.244.3163.5-62.1-18.3000118.6R182N180-R182 VanDerWaalsContact C-N 3.3Å; N180-R182 PolarHBondContact O-N 2.71Å
181A41.3Very low43Very low53 Ų53100 Ų10044%0.43850%0.504SS..  trans-8258.4159.800000112.6N183A181-N183 PolarHBondContact O-N 2.95Å
182R36.7Very low41.9Very low228 Ų22899.9 Ų99.986%0.8651%0.513SS*.SBendtrans-79.285.5165.6-73.4-170.8-167.4164.25108.4N180N180-R182 VanDerWaalsContact C-N 3.3Å; N180-R182 PolarHBondContact O-N 2.71Å
183N39.4Very low41.3Very low102 Ų10298.7 Ų98.755%0.54551%0.508SS..SBendtrans104.14.4157.6-55.3-13.3000119.5L158 A181 N185L158-N183 WeakPolarHBondContact CD2-O 3.29Å; A181-N183 PolarHBondContact O-N 2.95Å; N183-N185 PolarHBondContact O-N 3.42Å
184M35.9Very low41.1Very low58 Ų58104 Ų10429%0.28651%0.514SS..  trans-79.473.4162.7-74-169.568.300110.1E154 F172 A173E154-M184 HydrophobicContact CG-CE 4.48Å; E154-M184 HydrophobicContact CG-SD 4.02Å; F172-M184 HydrophobicContact CB-CE 4.23Å; A173-M184 HydrophobicContact CB-CE 4.12Å; A173-M184 HydrophobicContact CB-SD 3.95Å
185N40.4Very low41.5Very low66 Ų66102.5 Ų102.535%0.35351%0.514SS..  trans-87.4-4.3-167.7-67.9-4.2000114.9N183 V217N183-N185 PolarHBondContact O-N 3.42Å; N185-V217 VanDerWaalsContact C-CG2 3.42Å; N185-V217 HydrophobicContact CB-CB 3.99Å; N185-V217 HydrophobicContact CB-CG1 3.51Å; N185-V217 HydrophobicContact CB-CG2 3.63Å; N185-V217 WeakPolarHBondContact O-CG2 3.08Å
186G37.8Very low42.1Very low30 Ų30100.2 Ų100.231%0.30950%0.5SS..  trans-83.4123.9174.900000111.4
187S43.7Very low43Very low31 Ų3198.9 Ų98.922%0.21750%0.498CS..  trans-75.3129.7166.7105.70000107.7K216S187-K216 WeakPolarHBondContact OG-CD 3.37Å; S187-K216 WeakPolarHBondContact OG-CE 3.03Å; S187-K216 PolarHBondContact OG-NZ 3.28Å
188C39.6Very low43.6Very low37 Ų3790 Ų9025%0.2546%0.457CS..  trans-106.3117.1-178.6-150.20000112.2H210 T211C188-H210 VanDerWaalsContact SG-C 3.58Å; C188-H210 WeakPolarHBondContact SG-CA 3.34Å; C188-H210 WeakPolarHBondContact SG-CB 3.34Å; C188-H210 PolarHBondContact SG-ND1 3.12Å; C188-T211 PolarHBondContact SG-N 2.94Å
189Q44.7Very low44.7Very low136 Ų13683.8 Ų83.864%0.63645%0.445SS*.  trans-72.3139.7164-69.3-173.9-17.700108.7
190F46.1Very low45.4Very low106 Ų10682.3 Ų82.347%0.46543%0.429SS..  trans-130.6141.9-178.862.5-88.6000112.2E174 I209E174-F190 WeakPolarHBondContact OE1-CE1 3.04Å; F190-I209 VanDerWaalsContact CA-O 3.27Å; F190-I209 WeakPolarHBondContact CA-O 3.02Å
191E49.6Very low46.4Very low101 Ų10176.4 Ų76.447%0.47240%0.399SS..  trans-125.9127.1167.3-162172.7178.800107.6Y60 L193Y60-E191 WeakPolarHBondContact CE1-OE1 3.35Å; Y60-E191 WeakPolarHBondContact CE1-OE2 3.18Å; E191-L193 HydrophobicContact CB-CD2 4.28Å; E191-L193 HydrophobicContact CG-CD2 3.92Å
192C46.4Very low46.9Very low81 Ų8179.6 Ų79.655%0.54742%0.418SS..BIsolated β-bridgetrans-86.9114.2174.8-1770000107.6
193L53.6Low47.9Very low1 Ų176 Ų761%0.00541%0.408CS..PPolyproline II helixtrans-89.5161.9-177-59.9-169.3000111.5Y60 E191 P195 Y207 I209Y60-L193 HydrophobicContact CD1-CD1 4.21Å; Y60-L193 HydrophobicContact CD1-CD2 3.79Å; Y60-L193 HydrophobicContact CD2-CD1 3.21Å; Y60-L193 HydrophobicContact CD2-CD2 3.62Å; Y60-L193 HydrophobicContact CD2-CG 4Å; Y60-L193 HydrophobicContact CE1-CD2 3.4Å; Y60-L193 VanDerWaalsContact CE1-CD2 3.4Å; Y60-L193 HydrophobicContact CE2-CB 4.43Å; Y60-L193 HydrophobicContact CE2-CD1 3.65Å; Y60-L193 HydrophobicContact CE2-CD2 3.21Å; Y60-L193 HydrophobicContact CE2-CG 3.94Å; Y60-L193 HydrophobicContact CG-CD1 3.53Å; Y60-L193 HydrophobicContact CG-CD2 3.9Å; Y60-L193 HydrophobicContact CG-CG 4.39Å; Y60-L193 WeakPolarHBondContact OH-CD2 3.49Å; E191-L193 HydrophobicContact CB-CD2 4.28Å; E191-L193 HydrophobicContact CG-CD2 3.92Å; L193-P195 WeakPolarHBondContact O-CD 3.04Å; L193-Y207 HydrophobicContact CB-CD1 3.95Å; L193-Y207 HydrophobicContact CB-CD2 3.87Å; L193-Y207 HydrophobicContact CB-CE1 3.32Å; L193-Y207 HydrophobicContact CB-CE2 3.33Å; L193-Y207 HydrophobicContact CB-CG 4.19Å; L193-Y207 WeakPolarHBondContact CB-OH 3.27Å; L193-Y207 HydrophobicContact CD1-CD2 3.69Å; L193-Y207 HydrophobicContact CD1-CE2 2.96Å; L193-Y207 VanDerWaalsContact CD1-CZ 3.49Å; L193-Y207 WeakPolarHBondContact CD1-OH 3.25Å; L193-Y207 HydrophobicContact CG-CD2 4.05Å; L193-Y207 HydrophobicContact CG-CE1 4.45Å; L193-Y207 HydrophobicContact CG-CE2 3.57Å; L193-I209 HydrophobicContact CD1-CD1 3.53Å; L193-I209 HydrophobicContact CD1-CG1 3.95Å; L193-I209 HydrophobicContact CG-CD1 4.4Å
194R52.3Low48.8Very low173 Ų17375 Ų7565%0.65341%0.408SS*.PPolyproline II helixtrans-63.1127.5-168.6-79.4-169.7-62.6-136.2-5.1109.2E56 A196E56-R194 PolarHBondContact OE1-N 3.49Å; R194-A196 PolarHBondContact O-N 2.54Å
195P53.5Low50Low75 Ų7574.1 Ų74.149%0.48740%0.404SS..PPolyproline II helixtrans-60.6124.6-177-25.735.3000111.5L193 P204L193-P195 WeakPolarHBondContact O-CD 3.04Å; P195-P204 HydrophobicContact CB-CB 3.03Å; P195-P204 HydrophobicContact CB-CG 4.27Å; P195-P204 HydrophobicContact CG-CB 4.18Å
196A52.5Low51.3Low10 Ų1073.2 Ų73.28%0.08340%0.402CS..EExtended strand (participates in β ladder)trans-108.4150.1176.800000110.5M53 R194M53-A196 HydrophobicContact CB-CB 4Å; R194-A196 PolarHBondContact O-N 2.54Å
197P52.3Low53.1Low89 Ų8971.9 Ų71.958%0.57839%0.387SS*.EExtended strand (participates in β ladder)trans-60.4143.1171-18.530.9000110.7S50S50-P197 WeakPolarHBondContact CB-O 3.4Å; S50-P197 PolarHBondContact OG-O 2.69Å
198V53.1Low54.8Low9 Ų971.9 Ų71.96%0.05538%0.383CS..EExtended strand (participates in β ladder)trans-116.6156.9167.3-65.60000108.6M53 F148 W200 T201 L205M53-V198 HydrophobicContact SD-CG1 4.19Å; F148-V198 HydrophobicContact CE2-CG1 4.22Å; F148-V198 HydrophobicContact CZ-CB 4.48Å; F148-V198 HydrophobicContact CZ-CG1 3.94Å; V198-W200 HydrophobicContact CG2-CD2 4.48Å; V198-W200 HydrophobicContact CG2-CG 4.36Å; V198-W200 PolarHBondContact O-N 2.87Å; V198-T201 HydrophobicContact CG2-CG2 3.26Å; V198-T201 PolarHBondContact O-N 3.03Å; V198-T201 VanDerWaalsContact O-O 3.1Å; V198-L205 HydrophobicContact CG1-CD1 4.26Å; V198-L205 HydrophobicContact CG2-CD1 3.65Å; V198-L205 HydrophobicContact CG2-CG 4.31Å
199S55.8Low56.9Low75 Ų7570.9 Ų70.952%0.52438%0.375SS..THydrogen-bonded Turntrans-64.2-16.3-167.263.60000115.3E48E48-S199 WeakPolarHBondContact CB-OG 3.35Å; E48-S199 PolarHBondContact N-OG 3.09Å; E48-S199 PolarHBondContact O-N 3.12Å
200W49Very low58.7Low116 Ų11664.7 Ų64.744%0.43935%0.346SS..THydrogen-bonded Turntrans-111.1-10.8-172.365.8-80.2000114.6A45 F148 V198 L205A45-W200 HydrophobicContact CB-CB 4.1Å; F148-W200 HydrophobicContact CE1-CZ2 4.48Å; F148-W200 AromaticContact CE1-NE1 3.61Å; F148-W200 AromaticContact CZ-NE1 3.83Å; V198-W200 HydrophobicContact CG2-CD2 4.48Å; V198-W200 HydrophobicContact CG2-CG 4.36Å; V198-W200 PolarHBondContact O-N 2.87Å; W200-L205 HydrophobicContact CH2-CD1 4.44Å; W200-L205 HydrophobicContact CZ2-CD1 3.68Å
201T50.9Low60.7Low28 Ų2861.7 Ų61.717%0.17234%0.337CS..EExtended strand (participates in β ladder)trans-142.8137.3177.4178.90000111.7V198 K203 L205V198-T201 HydrophobicContact CG2-CG2 3.26Å; V198-T201 PolarHBondContact O-N 3.03Å; V198-T201 VanDerWaalsContact O-O 3.1Å; T201-K203 PolarHBondContact O-N 3.19Å; T201-K203 WeakPolarHBondContact OG1-CB 3.46Å; T201-K203 PolarHBondContact OG1-N 2.66Å; T201-L205 HydrophobicContact CG2-CD1 4.03Å; T201-L205 HydrophobicContact CG2-CG 4.16Å
202S52Low62.4Low120 Ų12057.8 Ų57.884%0.83932%0.319SS*.EExtended strand (participates in β ladder)trans-74.5-11.8170.558.70000112.6P204S202-P204 WeakPolarHBondContact O-CD 3.37Å
203K56.5Low64.1Low152 Ų15255.7 Ų55.766%0.66130%0.303SS*.EExtended strand (participates in β ladder)trans-74.1122.2175.6-67-175.6179.3178.70108.7T201 L205T201-K203 PolarHBondContact O-N 3.19Å; T201-K203 WeakPolarHBondContact OG1-CB 3.46Å; T201-K203 PolarHBondContact OG1-N 2.66Å; K203-L205 PolarHBondContact O-N 3.41Å
204P58.8Low65.1Low82 Ų8260.4 Ų60.453%0.53232%0.32SS..EExtended strand (participates in β ladder)trans-61.2125.9172-17.231000109.3P195 S202P195-P204 HydrophobicContact CB-CB 3.03Å; P195-P204 HydrophobicContact CB-CG 4.27Å; P195-P204 HydrophobicContact CG-CB 4.18Å; S202-P204 WeakPolarHBondContact O-CD 3.37Å
205L62Low65.8Low38 Ų3859.1 Ų59.120%0.19932%0.321CS..EExtended strand (participates in β ladder)trans-95.1127.8-179.6-68.7174.7000109.6F148 V198 W200 T201 K203F148-L205 HydrophobicContact CE2-CD1 4.3Å; F148-L205 HydrophobicContact CZ-CD1 3.74Å; V198-L205 HydrophobicContact CG1-CD1 4.26Å; V198-L205 HydrophobicContact CG2-CD1 3.65Å; V198-L205 HydrophobicContact CG2-CG 4.31Å; W200-L205 HydrophobicContact CH2-CD1 4.44Å; W200-L205 HydrophobicContact CZ2-CD1 3.68Å; T201-L205 HydrophobicContact CG2-CD1 4.03Å; T201-L205 HydrophobicContact CG2-CG 4.16Å; K203-L205 PolarHBondContact O-N 3.41Å
206P67.9Low65.9Low48 Ų4859.4 Ų59.431%0.31232%0.315SS..PPolyproline II helixtrans-66.1147.3168.931.1-33.5000108.6F208P206-F208 HydrophobicContact CB-CE2 4.13Å; P206-F208 HydrophobicContact CB-CZ 3.99Å; P206-F208 HydrophobicContact CG-CE2 4.06Å; P206-F208 HydrophobicContact CG-CZ 4.04Å
207Y74.9Confident65.9Low1 Ų160.2 Ų60.20%0.00432%0.319CS..  trans-127150166.259.6-76.3000108.9M53 E56 V167 S168 L193M53-Y207 HydrophobicContact CE-CD1 4.02Å; M53-Y207 HydrophobicContact CE-CG 3.94Å; M53-Y207 HydrophobicContact CG-CE1 4.46Å; E56-Y207 WeakPolarHBondContact CB-OH 3.31Å; E56-Y207 WeakPolarHBondContact CG-OH 3.35Å; E56-Y207 PolarHBondContact OE1-OH 2.72Å; V167-Y207 HydrophobicContact CG1-CD2 3.92Å; S168-Y207 CarbonylContact O-C 3.42Å; S168-Y207 VanDerWaalsContact O-CA 3.23Å; S168-Y207 WeakPolarHBondContact O-CA 3.29Å; S168-Y207 WeakPolarHBondContact O-CB 3.27Å; L193-Y207 HydrophobicContact CB-CD1 3.95Å; L193-Y207 HydrophobicContact CB-CD2 3.87Å; L193-Y207 HydrophobicContact CB-CE1 3.32Å; L193-Y207 HydrophobicContact CB-CE2 3.33Å; L193-Y207 HydrophobicContact CB-CG 4.19Å; L193-Y207 WeakPolarHBondContact CB-OH 3.27Å; L193-Y207 HydrophobicContact CD1-CD2 3.69Å; L193-Y207 HydrophobicContact CD1-CE2 2.96Å; L193-Y207 VanDerWaalsContact CD1-CZ 3.49Å; L193-Y207 WeakPolarHBondContact CD1-OH 3.25Å; L193-Y207 HydrophobicContact CG-CD2 4.05Å; L193-Y207 HydrophobicContact CG-CE1 4.45Å; L193-Y207 HydrophobicContact CG-CE2 3.57Å
208F79.6Confident65.6Low32 Ų3258.6 Ų58.614%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-119.3128.1-169.5-57-87.7000107.4V167 S168 K171 P206 H210V167-F208 WeakPolarHBondContact CA-O 3.38Å; S168-F208 PolarHBondContact N-O 3.13Å; S168-F208 PolarHBondContact O-N 3.13Å; K171-F208 HydrophobicContact CB-CD1 3.83Å; K171-F208 HydrophobicContact CB-CD2 4.23Å; K171-F208 HydrophobicContact CB-CE1 3.71Å; K171-F208 HydrophobicContact CB-CE2 4.13Å; K171-F208 HydrophobicContact CB-CG 4.09Å; K171-F208 HydrophobicContact CB-CZ 3.86Å; K171-F208 HydrophobicContact CD-CE1 4.35Å; K171-F208 HydrophobicContact CG-CD1 4.19Å; K171-F208 HydrophobicContact CG-CE1 4.28Å; K171-F208 VanDerWaalsContact N-CE2 3.28Å; P206-F208 HydrophobicContact CB-CE2 4.13Å; P206-F208 HydrophobicContact CB-CZ 3.99Å; P206-F208 HydrophobicContact CG-CE2 4.06Å; P206-F208 HydrophobicContact CG-CZ 4.04Å; F208-H210 VanDerWaalsContact CB-NE2 3.25Å; F208-H210 WeakPolarHBondContact CB-NE2 3.19Å
209I83.2Confident65.2Low16 Ų1660.6 Ų60.68%0.08233%0.331CS..EExtended strand (participates in β ladder)trans-90.7134.2164.9-56.6-171.7000107Y60 I166 V167 F190 L193Y60-I209 VanDerWaalsContact CB-CD1 3.49Å; Y60-I209 HydrophobicContact CD1-CD1 4.37Å; Y60-I209 HydrophobicContact CG-CD1 4.06Å; I166-I209 CarbonylContact O-C 3.56Å; I166-I209 WeakPolarHBondContact O-CA 3.15Å; V167-I209 HydrophobicContact CG2-CG1 4.16Å; F190-I209 VanDerWaalsContact CA-O 3.27Å; F190-I209 WeakPolarHBondContact CA-O 3.02Å; L193-I209 HydrophobicContact CD1-CD1 3.53Å; L193-I209 HydrophobicContact CD1-CG1 3.95Å; L193-I209 HydrophobicContact CG-CD1 4.4Å
210H83.6Confident64.7Low5 Ų559.8 Ų59.82%0.02333%0.329CS..EExtended strand (participates in β ladder)trans-124138-179-74.4-87.6000107.4R165 I166 S168 F172 C188 F208R165-H210 CarbonylContact C-O 3.47Å; R165-H210 WeakPolarHBondContact CA-O 3.36Å; I166-H210 HydrophobicContact CB-CB 3.99Å; I166-H210 PolarHBondContact N-O 3.1Å; I166-H210 WeakPolarHBondContact O-CB 3.44Å; I166-H210 PolarHBondContact O-N 2.53Å; S168-H210 PolarHBondContact OG-CD2 3.09Å; S168-H210 VanDerWaalsContact OG-CD2 3.31Å; S168-H210 PolarHBondContact OG-NE2 2.96Å; F172-H210 AromaticContact CD2-CD2 3.63Å; F172-H210 AromaticContact CD2-CE1 3.65Å; F172-H210 AromaticContact CD2-CG 3.9Å; F172-H210 AromaticContact CD2-ND1 3.88Å; F172-H210 AromaticContact CD2-NE2 3.46Å; F172-H210 WeakPolarHBondContact CD2-NE2 3.34Å; F172-H210 AromaticContact CE2-CD2 3.92Å; F172-H210 PolarHBondContact N-CE1 3.03Å; F172-H210 VanDerWaalsContact N-CE1 3.33Å; C188-H210 VanDerWaalsContact SG-C 3.58Å; C188-H210 WeakPolarHBondContact SG-CA 3.34Å; C188-H210 WeakPolarHBondContact SG-CB 3.34Å; C188-H210 PolarHBondContact SG-ND1 3.12Å; F208-H210 VanDerWaalsContact CB-NE2 3.25Å; F208-H210 WeakPolarHBondContact CB-NE2 3.19Å
211T87.3Confident64.3Low43 Ų4357.4 Ų57.426%0.26433%0.327SS..EExtended strand (participates in β ladder)trans-121.7125.9172.6-54.50000108.5V164 R165 C188 D213V164-T211 WeakPolarHBondContact O-CA 3.37Å; R165-T211 HydrophobicContact CG-CG2 4.15Å; C188-T211 PolarHBondContact SG-N 2.94Å; T211-D213 PolarHBondContact O-N 2.91Å
212I84.9Confident63.8Low20 Ų2060 Ų6010%0.10334%0.343CS..  trans-69.7115.1175-60.4-58.2000108.4F157 L160 N161 G163 V164 I166 R214F157-I212 HydrophobicContact CB-CD1 4.5Å; L160-I212 HydrophobicContact CB-CG1 4.27Å; N161-I212 WeakPolarHBondContact O-CG2 3.36Å; G163-I212 WeakPolarHBondContact CA-O 3.37Å; G163-I212 PolarHBondContact N-O 3.14Å; V164-I212 HydrophobicContact CB-CB 4.47Å; V164-I212 HydrophobicContact CB-CG1 4.19Å; V164-I212 PolarHBondContact O-N 2.69Å; I166-I212 HydrophobicContact CD1-CD1 3.68Å; I166-I212 HydrophobicContact CD1-CG1 3.97Å; I212-R214 HydrophobicContact CG2-CG 4Å
213D81.8Confident63.2Low37 Ų3759.4 Ų59.420%0.19833%0.33CS..  trans-120.8101.1176.1176.5-12.2000108.6T211 Q215 K216T211-D213 PolarHBondContact O-N 2.91Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.23Å; D213-Q215 PolarHBondContact OD1-N 3.3Å; D213-K216 PolarHBondContact OD1-N 3.48Å; D213-K216 WeakPolarHBondContact OD2-CD 3.49Å; D213-K216 WeakPolarHBondContact OD2-CE 3.41Å; D213-K216 IonicContact OD2-NZ 3.41Å; D213-K216 PolarHBondContact OD2-NZ 3.06Å
214R74.4Confident62.6Low99 Ų9955.1 Ų55.137%0.37432%0.319SS..SBendtrans-84.3-12.2179.1-64.6-173.9175.3-91.43.2112.9L158 L160 D162 I212 K216 V217 A218L158-R214 PolarHBondContact O-NH2 3.1Å; L160-R214 PolarHBondContact O-NE 3.01Å; L160-R214 PolarHBondContact O-NH2 3.4Å; D162-R214 HydrophobicContact CB-CB 4.35Å; D162-R214 HydrophobicContact CB-CG 4.26Å; D162-R214 WeakPolarHBondContact OD1-CB 3.1Å; D162-R214 PolarHBondContact OD1-N 2.86Å; I212-R214 HydrophobicContact CG2-CG 4Å; R214-K216 VanDerWaalsContact C-N 3.3Å; R214-K216 PolarHBondContact O-N 3.34Å; R214-V217 HydrophobicContact CB-CG2 4.21Å; R214-V217 HydrophobicContact CG-CG2 4.42Å; R214-V217 VanDerWaalsContact O-CB 3.24Å; R214-V217 WeakPolarHBondContact O-CB 3.49Å; R214-V217 PolarHBondContact O-N 3.01Å; R214-A218 PolarHBondContact O-N 3.05Å
215Q67.8Low61.8Low146 Ų14654.1 Ų54.168%0.68231%0.313SS*.Hα-helixtrans-68.7-34.4175.9-61.3-172.46.200111.1D213 V217 A218 A219D213-Q215 WeakPolarHBondContact OD1-CB 3.23Å; D213-Q215 PolarHBondContact OD1-N 3.3Å; Q215-V217 VanDerWaalsContact C-N 3.32Å; Q215-V217 PolarHBondContact O-N 3.44Å; Q215-A218 PolarHBondContact O-N 2.83Å; Q215-A219 PolarHBondContact O-N 3.24Å; Q215-A219 VanDerWaalsContact O-N 3.12Å
216K55.8Low60.7Low81 Ų8156 Ų5635%0.35232%0.323SS..Hα-helixtrans-70.9-25.2173.1-71.6171.8-172.6148.60113.8S187 D213 R214 A220S187-K216 WeakPolarHBondContact OG-CD 3.37Å; S187-K216 WeakPolarHBondContact OG-CE 3.03Å; S187-K216 PolarHBondContact OG-NZ 3.28Å; D213-K216 PolarHBondContact OD1-N 3.48Å; D213-K216 WeakPolarHBondContact OD2-CD 3.49Å; D213-K216 WeakPolarHBondContact OD2-CE 3.41Å; D213-K216 IonicContact OD2-NZ 3.41Å; D213-K216 PolarHBondContact OD2-NZ 3.06Å; R214-K216 VanDerWaalsContact C-N 3.3Å; R214-K216 PolarHBondContact O-N 3.34Å; K216-A220 VanDerWaalsContact O-CB 3.3Å; K216-A220 WeakPolarHBondContact O-CB 3.03Å; K216-A220 PolarHBondContact O-N 3.44Å
217V51.4Low59.6Low27 Ų2757.1 Ų57.116%0.16433%0.332CS..Hα-helixtrans-60.6-49.4169.71790000110.2N185 R214 Q215 A220 T221N185-V217 VanDerWaalsContact C-CG2 3.42Å; N185-V217 HydrophobicContact CB-CB 3.99Å; N185-V217 HydrophobicContact CB-CG1 3.51Å; N185-V217 HydrophobicContact CB-CG2 3.63Å; N185-V217 WeakPolarHBondContact O-CG2 3.08Å; R214-V217 HydrophobicContact CB-CG2 4.21Å; R214-V217 HydrophobicContact CG-CG2 4.42Å; R214-V217 VanDerWaalsContact O-CB 3.24Å; R214-V217 WeakPolarHBondContact O-CB 3.49Å; R214-V217 PolarHBondContact O-N 3.01Å; Q215-V217 VanDerWaalsContact C-N 3.32Å; Q215-V217 PolarHBondContact O-N 3.44Å; V217-A220 PolarHBondContact O-N 3.35Å; V217-T221 WeakPolarHBondContact O-CB 3.28Å; V217-T221 PolarHBondContact O-N 3.07Å; V217-T221 PolarHBondContact O-OG1 3.38Å
218A46.2Very low58Low56 Ų5665.2 Ų65.246%0.46337%0.367SS..Hα-helixtrans-66.1-44.1-17700000110.7R214 Q215 A220 T221 V222R214-A218 PolarHBondContact O-N 3.05Å; Q215-A218 PolarHBondContact O-N 2.83Å; A218-A220 PolarHBondContact O-N 3.1Å; A218-T221 PolarHBondContact O-N 3.09Å; A218-V222 WeakPolarHBondContact O-CB 3.13Å; A218-V222 WeakPolarHBondContact O-CG2 3.39Å; A218-V222 PolarHBondContact O-N 2.93Å
219A44.5Very low56.2Low51 Ų5168.9 Ų68.942%0.42139%0.389SS..Hα-helixtrans-62.1-42.6176.400000112.6Q215 V222 L223Q215-A219 PolarHBondContact O-N 3.24Å; Q215-A219 VanDerWaalsContact O-N 3.12Å; A219-V222 PolarHBondContact O-N 3.13Å; A219-L223 WeakPolarHBondContact O-CB 3.42Å; A219-L223 VanDerWaalsContact O-CG 3.26Å; A219-L223 WeakPolarHBondContact O-CG 3.34Å; A219-L223 PolarHBondContact O-N 2.93Å
220A45.1Very low54.1Low58 Ų5876.5 Ų76.548%0.47942%0.421SS..Hα-helixtrans-66.3-37.8176.900000112.5K216 V217 A218 S224K216-A220 VanDerWaalsContact O-CB 3.3Å; K216-A220 WeakPolarHBondContact O-CB 3.03Å; K216-A220 PolarHBondContact O-N 3.44Å; V217-A220 PolarHBondContact O-N 3.35Å; A218-A220 PolarHBondContact O-N 3.1Å; A220-S224 WeakPolarHBondContact O-CB 3.37Å; A220-S224 PolarHBondContact O-N 3.35Å; A220-S224 PolarHBondContact O-OG 3.38Å
221T41Very low51.7Low66 Ų6683.4 Ų83.441%0.40546%0.458SS..Hα-helixtrans-70.4-38.8177-53.20000111.5V217 A218 S224 S225V217-T221 WeakPolarHBondContact O-CB 3.28Å; V217-T221 PolarHBondContact O-N 3.07Å; V217-T221 PolarHBondContact O-OG1 3.38Å; A218-T221 PolarHBondContact O-N 3.09Å; T221-S224 PolarHBondContact O-OG 3.49Å; T221-S225 WeakPolarHBondContact O-CB 3.08Å; T221-S225 PolarHBondContact O-N 3Å; T221-S225 PolarHBondContact O-OG 3.46Å
222V41.3Very low49.9Very low83 Ų8393.7 Ų93.750%0.50350%0.499SS..Hα-helixtrans-66.9-43174.6170.90000110.5A218 A219 S225 I226A218-V222 WeakPolarHBondContact O-CB 3.13Å; A218-V222 WeakPolarHBondContact O-CG2 3.39Å; A218-V222 PolarHBondContact O-N 2.93Å; A219-V222 PolarHBondContact O-N 3.13Å; V222-S225 WeakPolarHBondContact O-CB 3.26Å; V222-S225 PolarHBondContact O-N 3.31Å; V222-I226 HydrophobicContact CG1-CD1 3.64Å; V222-I226 HydrophobicContact CG1-CG1 4.37Å; V222-I226 VanDerWaalsContact O-CG1 3.23Å; V222-I226 WeakPolarHBondContact O-CG1 3.24Å; V222-I226 PolarHBondContact O-N 3.13Å
223L39.4Very low48.1Very low107 Ų10797.4 Ų97.456%0.5652%0.519SS*.Hα-helixtrans-66.3-38.7176.8-74.2168.6000112.7A219 S225 I226 S227A219-L223 WeakPolarHBondContact O-CB 3.42Å; A219-L223 VanDerWaalsContact O-CG 3.26Å; A219-L223 WeakPolarHBondContact O-CG 3.34Å; A219-L223 PolarHBondContact O-N 2.93Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-I226 PolarHBondContact O-N 3.1Å; L223-S227 VanDerWaalsContact O-CB 3.31Å; L223-S227 WeakPolarHBondContact O-CB 3.2Å; L223-S227 PolarHBondContact O-N 2.79Å; L223-S227 PolarHBondContact O-OG 3Å
224S44.6Very low46.3Very low62 Ų62100.6 Ų100.643%0.43454%0.536SS..Hα-helixtrans-66.4-36.4173.9680000111.8A220 T221 S227 F228A220-S224 WeakPolarHBondContact O-CB 3.37Å; A220-S224 PolarHBondContact O-N 3.35Å; A220-S224 PolarHBondContact O-OG 3.38Å; T221-S224 PolarHBondContact O-OG 3.49Å; S224-S227 PolarHBondContact O-N 3.38Å; S224-F228 PolarHBondContact O-N 3.45Å
225S40.9Very low44.8Very low60 Ų60100.7 Ų100.742%0.4255%0.545SS..Hα-helixtrans-66.8-40.7174.1-54.40000112.3T221 V222 L223 N229T221-S225 WeakPolarHBondContact O-CB 3.08Å; T221-S225 PolarHBondContact O-N 3Å; T221-S225 PolarHBondContact O-OG 3.46Å; V222-S225 WeakPolarHBondContact O-CB 3.26Å; V222-S225 PolarHBondContact O-N 3.31Å; L223-S225 VanDerWaalsContact C-N 3.33Å; S225-N229 PolarHBondContact O-N 2.93Å; S225-N229 VanDerWaalsContact O-N 3.17Å; S225-N229 PolarHBondContact O-ND2 3Å
226I39.1Very low43.4Very low78 Ų7898 Ų9840%0.454%0.537SS..Hα-helixtrans-69.8-39.1176.2-66.6164.3000110.8V222 L223 F228 N229 F230V222-I226 HydrophobicContact CG1-CD1 3.64Å; V222-I226 HydrophobicContact CG1-CG1 4.37Å; V222-I226 VanDerWaalsContact O-CG1 3.23Å; V222-I226 WeakPolarHBondContact O-CG1 3.24Å; V222-I226 PolarHBondContact O-N 3.13Å; L223-I226 PolarHBondContact O-N 3.1Å; I226-F228 VanDerWaalsContact C-N 3.32Å; I226-F228 PolarHBondContact O-N 2.9Å; I226-N229 PolarHBondContact O-N 3.48Å; I226-N229 VanDerWaalsContact O-N 3.12Å; I226-F230 HydrophobicContact CG2-CD2 4.16Å; I226-F230 HydrophobicContact CG2-CE2 4.36Å; I226-F230 PolarHBondContact O-N 2.92Å
227S44.1Very low42.6Very low71 Ų7199.1 Ų99.150%0.49755%0.549SS..Hα-helixtrans-65.4-36177.7-56.20000111.9L223 S224 N229L223-S227 VanDerWaalsContact O-CB 3.31Å; L223-S227 WeakPolarHBondContact O-CB 3.2Å; L223-S227 PolarHBondContact O-N 2.79Å; L223-S227 PolarHBondContact O-OG 3Å; S224-S227 PolarHBondContact O-N 3.38Å; S227-N229 VanDerWaalsContact C-N 3.34Å
228F42.8Very low42.1Very low171 Ų171103.9 Ų103.975%0.7557%0.574SS**Hα-helixtrans-68.7-31172-106.7-91.5000112.9S224 I226 F230S224-F228 PolarHBondContact O-N 3.45Å; I226-F228 VanDerWaalsContact C-N 3.32Å; I226-F228 PolarHBondContact O-N 2.9Å; F228-F230 VanDerWaalsContact C-N 3.33Å; F228-F230 PolarHBondContact O-N 3.16Å
229N40.6Very low41.8Very low110 Ų110107.3 Ų107.359%0.58858%0.582SS**Hα-helixtrans-78.6-10.6-179.9-77.4-23.6000114.7S225 I226 S227S225-N229 PolarHBondContact O-N 2.93Å; S225-N229 VanDerWaalsContact O-N 3.17Å; S225-N229 PolarHBondContact O-ND2 3Å; I226-N229 PolarHBondContact O-N 3.48Å; I226-N229 VanDerWaalsContact O-N 3.12Å; S227-N229 VanDerWaalsContact C-N 3.34Å
230F38.9Very low41.5Very low175 Ų175111.6 Ų111.677%0.76860%0.595SS**THydrogen-bonded Turntrans-107.45.6178.4-87.3-80.8000114.7I226 F228I226-F230 HydrophobicContact CG2-CD2 4.16Å; I226-F230 HydrophobicContact CG2-CE2 4.36Å; I226-F230 PolarHBondContact O-N 2.92Å; F228-F230 VanDerWaalsContact C-N 3.33Å; F228-F230 PolarHBondContact O-N 3.16Å
231L34.3Very low41.2Very low150 Ų150116.1 Ų116.179%0.78560%0.604SS**  trans-9881167.4-80.6154.7000109.2
232F48.1Very low41.3Very low260 Ų260120.6 Ų120.6100%1.1462%0.622SS**  trans-112.70158.3-75.2-76.7000108.9

Retrieved 232 of 232 residues in 399 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).