A0A077ZBK8_TRITR Loading...

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

Histone methyltransferase that specifically trimethylates histone H3 to form H3K79me3. This methylation is required for telomere silencing and for the pachytene checkpoint during the meiotic cell cycle by allowing the recruitment of RAD9 to double strand breaks. Nucleosomes are preferred as substrate compared to free histone.

AlphaFold DB , UniProt , Accession A0A077ZBK8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 232 aa.

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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 77.3 ms (Link to these results)

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