A0A5K4EZP5_SCHMA Loading...

Methyltransf_11 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 267 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
1M70.6Confident91.3Very high217 Ų217111.8 Ų111.8100%1.06960%0.598SS**  0-47.40-99.8-164.3-160.700113.3I3 L4 F5M1-I3 PolarHBondContact O-N 3.04Å; M1-L4 PolarHBondContact O-N 2.82Å; M1-F5 PolarHBondContact O-N 3.02Å
2S88.3Confident91.7Very high97 Ų97111.3 Ų111.368%0.67859%0.594SS**Hα-helixtrans-57.3-45.6-175.2550000114.4F5 A6S2-F5 PolarHBondContact O-N 3Å; S2-A6 WeakPolarHBondContact O-CB 3.21Å; S2-A6 PolarHBondContact O-N 3.39Å
3I92.2Very high92Very high126 Ų126110.4 Ų110.465%0.64658%0.584SS**Hα-helixtrans-63.5-46.1179.7-61.6172.5000111.1M1 F5 A6 I7M1-I3 PolarHBondContact O-N 3.04Å; I3-F5 VanDerWaalsContact C-N 3.33Å; I3-F5 PolarHBondContact O-N 3.28Å; I3-A6 PolarHBondContact O-N 2.87Å; I3-I7 HydrophobicContact CG2-CD1 3.8Å; I3-I7 HydrophobicContact CG2-CG1 4.43Å; I3-I7 VanDerWaalsContact O-CG1 3.28Å; I3-I7 WeakPolarHBondContact O-CG1 3.32Å; I3-I7 PolarHBondContact O-N 3.27Å
4L91Very high92.3Very high112 Ų112109 Ų10959%0.58657%0.573SS**Hα-helixtrans-62-42.9178.5-177.863.2000111.3M1 I7 L8M1-L4 PolarHBondContact O-N 2.82Å; L4-I7 PolarHBondContact O-N 2.84Å; L4-L8 HydrophobicContact CD1-CD1 4.43Å; L4-L8 HydrophobicContact CD1-CG 4.48Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 3.03Å
5F93.3Very high92.6Very high156 Ų156107.9 Ų107.968%0.68456%0.563SS**Hα-helixtrans-61.8-44.9175.9-175.6-95.9000111.8M1 S2 I3 I7 L8 A9M1-F5 PolarHBondContact O-N 3.02Å; S2-F5 PolarHBondContact O-N 3Å; I3-F5 VanDerWaalsContact C-N 3.33Å; I3-F5 PolarHBondContact O-N 3.28Å; F5-I7 PolarHBondContact O-N 3.21Å; F5-L8 PolarHBondContact O-N 3.34Å; F5-A9 WeakPolarHBondContact O-CB 3.22Å; F5-A9 PolarHBondContact O-N 3.21Å
6A94Very high92.9Very high58 Ų58104.9 Ų104.948%0.47955%0.547SS..Hα-helixtrans-61.3-41.7176.600000112.3S2 I3 A9 N10S2-A6 WeakPolarHBondContact O-CB 3.21Å; S2-A6 PolarHBondContact O-N 3.39Å; I3-A6 PolarHBondContact O-N 2.87Å; A6-A9 PolarHBondContact O-N 3.26Å; A6-N10 WeakPolarHBondContact O-CB 3.47Å; A6-N10 PolarHBondContact O-N 2.91Å
7I94.6Very high93.2Very high83 Ų8399.5 Ų99.543%0.42652%0.519SS..Hα-helixtrans-62.7-45.8175.6-68.4166.9000110.8I3 L4 F5 N10 K11I3-I7 HydrophobicContact CG2-CD1 3.8Å; I3-I7 HydrophobicContact CG2-CG1 4.43Å; I3-I7 VanDerWaalsContact O-CG1 3.28Å; I3-I7 WeakPolarHBondContact O-CG1 3.32Å; I3-I7 PolarHBondContact O-N 3.27Å; L4-I7 PolarHBondContact O-N 2.84Å; F5-I7 PolarHBondContact O-N 3.21Å; I7-N10 PolarHBondContact O-N 3.34Å; I7-K11 HydrophobicContact CG2-CD 4.39Å; I7-K11 WeakPolarHBondContact O-CG 3.39Å; I7-K11 PolarHBondContact O-N 2.78Å
8L93.4Very high93.4Very high100 Ų10098 Ų9852%0.52451%0.509SS..Hα-helixtrans-63.9-43.9178.7-72.1170.6000111.7L4 F5 N10 K11 L12L4-L8 HydrophobicContact CD1-CD1 4.43Å; L4-L8 HydrophobicContact CD1-CG 4.48Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.4Å; L4-L8 PolarHBondContact O-N 3.03Å; F5-L8 PolarHBondContact O-N 3.34Å; L8-N10 PolarHBondContact O-N 3.12Å; L8-K11 PolarHBondContact O-N 3.34Å; L8-L12 WeakPolarHBondContact O-CB 3.46Å; L8-L12 PolarHBondContact O-N 2.81Å
9A95Very high93.7Very high45 Ų4595.2 Ų95.237%0.37249%0.493SS..Hα-helixtrans-61.6-42.817700000111.8F5 A6 L12 H13F5-A9 WeakPolarHBondContact O-CB 3.22Å; F5-A9 PolarHBondContact O-N 3.21Å; A6-A9 PolarHBondContact O-N 3.26Å; A9-L12 PolarHBondContact O-N 2.83Å; A9-H13 WeakPolarHBondContact O-CB 3.48Å; A9-H13 PolarHBondContact O-N 3Å
10N95.8Very high93.9Very high92 Ų9291.6 Ų91.649%0.49247%0.473SS..Hα-helixtrans-65.1-44.2176.6-169.310.2000111.7A6 I7 L8 L12 H13 Q14A6-N10 WeakPolarHBondContact O-CB 3.47Å; A6-N10 PolarHBondContact O-N 2.91Å; I7-N10 PolarHBondContact O-N 3.34Å; L8-N10 PolarHBondContact O-N 3.12Å; N10-L12 VanDerWaalsContact C-N 3.31Å; N10-L12 PolarHBondContact O-N 3.46Å; N10-H13 WeakPolarHBondContact O-CB 3.37Å; N10-H13 PolarHBondContact O-N 2.83Å; N10-Q14 WeakPolarHBondContact O-CG 3.48Å; N10-Q14 PolarHBondContact O-N 2.96Å
11K96.2Very high94.1Very high144 Ų14487.2 Ų87.263%0.62645%0.451SS*.Hα-helixtrans-58.5-43.4175-76.3-176.9178.5-174.80112I7 L8 Q14 H15I7-K11 HydrophobicContact CG2-CD 4.39Å; I7-K11 WeakPolarHBondContact O-CG 3.39Å; I7-K11 PolarHBondContact O-N 2.78Å; L8-K11 PolarHBondContact O-N 3.34Å; K11-Q14 PolarHBondContact O-N 2.73Å; K11-H15 WeakPolarHBondContact O-CB 3.02Å; K11-H15 PolarHBondContact O-N 3.04Å
12L96Very high95.4Very high105 Ų10579 Ų7955%0.5541%0.414SS..Hα-helixtrans-63.4-44.4176.2179.861.5000111.5L8 A9 N10 H15 I16L8-L12 WeakPolarHBondContact O-CB 3.46Å; L8-L12 PolarHBondContact O-N 2.81Å; A9-L12 PolarHBondContact O-N 2.83Å; N10-L12 VanDerWaalsContact C-N 3.31Å; N10-L12 PolarHBondContact O-N 3.46Å; L12-H15 WeakPolarHBondContact O-CB 3.16Å; L12-H15 PolarHBondContact O-N 2.9Å; L12-I16 HydrophobicContact CD1-CD1 4.27Å; L12-I16 HydrophobicContact CD1-CG1 4.49Å; L12-I16 HydrophobicContact CG-CD1 4.07Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.37Å
13H95.2Very high95.8Very high100 Ų10074.4 Ų74.446%0.46338%0.382SS..Hα-helixtrans-59.7-47.2177.1178.667.7000112.2A9 N10 H15 I16 I17A9-H13 WeakPolarHBondContact O-CB 3.48Å; A9-H13 PolarHBondContact O-N 3Å; N10-H13 WeakPolarHBondContact O-CB 3.37Å; N10-H13 PolarHBondContact O-N 2.83Å; H13-H15 VanDerWaalsContact C-N 3.32Å; H13-H15 PolarHBondContact O-N 2.87Å; H13-I16 PolarHBondContact O-N 3.24Å; H13-I16 VanDerWaalsContact O-N 3.17Å; H13-I17 WeakPolarHBondContact NE2-CD1 3.37Å; H13-I17 WeakPolarHBondContact O-CG1 3.43Å; H13-I17 PolarHBondContact O-N 2.99Å
14Q96.7Very high96.1Very high91 Ų9169 Ų6943%0.42535%0.354SS..Hα-helixtrans-62.9-38.8176.4-66.7-55.1-35.600112.2N10 K11 I16 I17 H18N10-Q14 WeakPolarHBondContact O-CG 3.48Å; N10-Q14 PolarHBondContact O-N 2.96Å; K11-Q14 PolarHBondContact O-N 2.73Å; Q14-I16 VanDerWaalsContact C-N 3.35Å; Q14-I16 PolarHBondContact O-N 3.01Å; Q14-I17 PolarHBondContact O-N 3.13Å; Q14-H18 WeakPolarHBondContact O-CB 3.36Å; Q14-H18 PolarHBondContact O-N 3.37Å
15H97.2Very high96.3Very high93 Ų9367.7 Ų67.743%0.43134%0.344SS..Hα-helixtrans-60.3-45.4173.3-18085.3000111.4K11 L12 H13 H18 Q19K11-H15 WeakPolarHBondContact O-CB 3.02Å; K11-H15 PolarHBondContact O-N 3.04Å; L12-H15 WeakPolarHBondContact O-CB 3.16Å; L12-H15 PolarHBondContact O-N 2.9Å; H13-H15 VanDerWaalsContact C-N 3.32Å; H13-H15 PolarHBondContact O-N 2.87Å; H15-H18 WeakPolarHBondContact O-CB 3.34Å; H15-H18 PolarHBondContact O-N 2.93Å; H15-Q19 PolarHBondContact CE1-NE2 2.8Å; H15-Q19 VanDerWaalsContact O-CG 3.31Å; H15-Q19 WeakPolarHBondContact O-CG 3.49Å; H15-Q19 PolarHBondContact O-N 3.16Å
16I97.1Very high96.5Very high59 Ų5963.8 Ų63.830%0.30333%0.327SS..Hα-helixtrans-62.2-45.9178-69.6166.8000111.1L12 H13 Q14 H18 Q19 F20L12-I16 HydrophobicContact CD1-CD1 4.27Å; L12-I16 HydrophobicContact CD1-CG1 4.49Å; L12-I16 HydrophobicContact CG-CD1 4.07Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.37Å; H13-I16 PolarHBondContact O-N 3.24Å; H13-I16 VanDerWaalsContact O-N 3.17Å; Q14-I16 VanDerWaalsContact C-N 3.35Å; Q14-I16 PolarHBondContact O-N 3.01Å; I16-H18 VanDerWaalsContact C-N 3.31Å; I16-H18 PolarHBondContact O-N 2.91Å; I16-Q19 PolarHBondContact O-N 3.3Å; I16-F20 HydrophobicContact CG2-CD2 3.62Å; I16-F20 HydrophobicContact CG2-CE2 3.55Å; I16-F20 VanDerWaalsContact O-CD2 3.3Å; I16-F20 WeakPolarHBondContact O-CD2 3.37Å; I16-F20 PolarHBondContact O-N 2.75Å
17I97.4Very high96.7Very high14 Ų1461.3 Ų61.37%0.07231%0.306CS..Hα-helixtrans-57.7-46.2175.3-70.9177.5000110.5H13 Q14 Q19 F20 S21 G210 Q213H13-I17 WeakPolarHBondContact NE2-CD1 3.37Å; H13-I17 WeakPolarHBondContact O-CG1 3.43Å; H13-I17 PolarHBondContact O-N 2.99Å; Q14-I17 PolarHBondContact O-N 3.13Å; I17-Q19 PolarHBondContact O-N 3.43Å; I17-F20 PolarHBondContact O-N 2.76Å; I17-S21 WeakPolarHBondContact O-CB 3.47Å; I17-S21 PolarHBondContact O-N 3.38Å; I17-S21 PolarHBondContact O-OG 2.88Å; I17-G210 VanDerWaalsContact CG2-O 3.23Å; I17-G210 WeakPolarHBondContact CG2-O 3.37Å; I17-Q213 HydrophobicContact CG2-CG 4.33Å
18H97.8Very high96.8Very high72 Ų7260.1 Ų60.133%0.33330%0.302SS..Hα-helixtrans-59.6-47178.4175.385.1000111.8Q14 H15 I16 F20 S21 C22 Y214Q14-H18 WeakPolarHBondContact O-CB 3.36Å; Q14-H18 PolarHBondContact O-N 3.37Å; H15-H18 WeakPolarHBondContact O-CB 3.34Å; H15-H18 PolarHBondContact O-N 2.93Å; I16-H18 VanDerWaalsContact C-N 3.31Å; I16-H18 PolarHBondContact O-N 2.91Å; H18-F20 PolarHBondContact O-N 2.95Å; H18-S21 PolarHBondContact O-N 3.27Å; H18-C22 VanDerWaalsContact CE1-SG 3.53Å; H18-C22 PolarHBondContact NE2-SG 3.35Å; H18-C22 VanDerWaalsContact NE2-SG 3.44Å; H18-C22 WeakPolarHBondContact O-CB 3.16Å; H18-C22 PolarHBondContact O-N 3.18Å; H18-C22 PolarHBondContact O-SG 2.78Å; H18-C22 VanDerWaalsContact O-SG 3.41Å; H18-Y214 PolarHBondContact CE1-OH 3.22Å; H18-Y214 PolarHBondContact ND1-OH 3.32Å
19Q98.2Very high97Very high44 Ų4460.2 Ų60.221%0.20631%0.312CS..Hα-helixtrans-61.3-44.5178.7-68.4-59.9-32.800111.9H15 I16 I17 S23 Y32H15-Q19 PolarHBondContact CE1-NE2 2.8Å; H15-Q19 VanDerWaalsContact O-CG 3.31Å; H15-Q19 WeakPolarHBondContact O-CG 3.49Å; H15-Q19 PolarHBondContact O-N 3.16Å; I16-Q19 PolarHBondContact O-N 3.3Å; I17-Q19 PolarHBondContact O-N 3.43Å; Q19-S23 VanDerWaalsContact O-CB 3.31Å; Q19-S23 WeakPolarHBondContact O-CB 3.39Å; Q19-S23 PolarHBondContact O-N 2.79Å; Q19-S23 PolarHBondContact O-OG 3.07Å; Q19-Y32 HydrophobicContact CB-CD1 3.8Å; Q19-Y32 HydrophobicContact CB-CD2 3.63Å; Q19-Y32 HydrophobicContact CB-CE1 3.73Å; Q19-Y32 HydrophobicContact CB-CE2 3.55Å; Q19-Y32 HydrophobicContact CB-CG 3.76Å; Q19-Y32 HydrophobicContact CG-CD2 4.1Å; Q19-Y32 HydrophobicContact CG-CE1 4.36Å; Q19-Y32 HydrophobicContact CG-CE2 3.59Å
20F98Very high97.1Very high23 Ų2360.3 Ų60.310%0.10131%0.306CS..Hα-helixtrans-65.5-37.7175.2-79.3-59.1000112.6I16 I17 H18 S23 L24 Y32 Y35 L36 W211I16-F20 HydrophobicContact CG2-CD2 3.62Å; I16-F20 HydrophobicContact CG2-CE2 3.55Å; I16-F20 VanDerWaalsContact O-CD2 3.3Å; I16-F20 WeakPolarHBondContact O-CD2 3.37Å; I16-F20 PolarHBondContact O-N 2.75Å; I17-F20 PolarHBondContact O-N 2.76Å; H18-F20 PolarHBondContact O-N 2.95Å; F20-S23 PolarHBondContact O-N 2.84Å; F20-L24 VanDerWaalsContact O-CB 3.23Å; F20-L24 WeakPolarHBondContact O-CB 3.48Å; F20-L24 PolarHBondContact O-N 3.14Å; F20-Y32 AromaticContact CD1-CD1 3.97Å; F20-Y32 HydrophobicContact CD1-CD1 3.97Å; F20-Y32 HydrophobicContact CD2-CD1 4.15Å; F20-Y32 HydrophobicContact CD2-CE1 4.5Å; F20-Y32 AromaticContact CE1-CD1 3.72Å; F20-Y32 HydrophobicContact CE1-CD1 3.72Å; F20-Y32 HydrophobicContact CE1-CG 4.47Å; F20-Y32 AromaticContact CE2-CD1 3.92Å; F20-Y32 HydrophobicContact CE2-CD1 3.92Å; F20-Y32 HydrophobicContact CE2-CE1 4.18Å; F20-Y32 HydrophobicContact CG-CD1 4.18Å; F20-Y32 AromaticContact CZ-CD1 3.71Å; F20-Y32 HydrophobicContact CZ-CD1 3.71Å; F20-Y32 HydrophobicContact CZ-CE1 4.29Å; F20-Y35 AromaticContact CE1-CD1 3.7Å; F20-Y35 HydrophobicContact CE1-CD1 3.7Å; F20-Y35 HydrophobicContact CE1-CE1 4.17Å; F20-Y35 HydrophobicContact CZ-CD1 4.12Å; F20-Y35 HydrophobicContact CZ-CE1 4.33Å; F20-L36 HydrophobicContact CD1-CD1 3.97Å; F20-L36 HydrophobicContact CD1-CD2 4Å; F20-L36 HydrophobicContact CD1-CG 3.91Å; F20-L36 HydrophobicContact CE1-CD2 4.25Å; F20-L36 HydrophobicContact CE1-CG 4.18Å; F20-W211 HydrophobicContact CB-CD2 3.64Å; F20-W211 HydrophobicContact CB-CE3 4.15Å; F20-W211 HydrophobicContact CB-CG 3.87Å; F20-W211 HydrophobicContact CB-CZ2 4.11Å; F20-W211 HydrophobicContact CD1-CH2 4.02Å; F20-W211 HydrophobicContact CD1-CZ2 4.11Å; F20-W211 HydrophobicContact CD1-CZ3 4.26Å; F20-W211 AromaticContact CD2-CE2 3.69Å; F20-W211 HydrophobicContact CD2-CH2 4.19Å; F20-W211 AromaticContact CD2-CZ2 3.48Å; F20-W211 HydrophobicContact CD2-CZ2 3.48Å; F20-W211 VanDerWaalsContact CD2-CZ2 3.48Å; F20-W211 AromaticContact CD2-NE1 3.88Å; F20-W211 HydrophobicContact CE1-CH2 4.2Å; F20-W211 HydrophobicContact CE1-CZ2 4.42Å; F20-W211 HydrophobicContact CE2-CH2 4.34Å; F20-W211 AromaticContact CE2-CZ2 3.82Å; F20-W211 HydrophobicContact CE2-CZ2 3.82Å; F20-W211 HydrophobicContact CG-CD2 4.09Å; F20-W211 AromaticContact CG-CE2 3.66Å; F20-W211 HydrophobicContact CG-CE3 4.4Å; F20-W211 HydrophobicContact CG-CH2 4.03Å; F20-W211 AromaticContact CG-CZ2 3.64Å; F20-W211 HydrophobicContact CG-CZ2 3.64Å; F20-W211 HydrophobicContact CG-CZ3 4.4Å; F20-W211 HydrophobicContact CZ-CH2 4.34Å; F20-W211 HydrophobicContact CZ-CZ2 4.28Å
21S97.9Very high97.1Very high0 Ų063.1 Ų63.10%031%0.314CS..Hα-helixtrans-65.2-45.1177.7-56.70000111.9I17 H18 L24 K25 G210 W211 Q213I17-S21 WeakPolarHBondContact O-CB 3.47Å; I17-S21 PolarHBondContact O-N 3.38Å; I17-S21 PolarHBondContact O-OG 2.88Å; H18-S21 PolarHBondContact O-N 3.27Å; S21-L24 PolarHBondContact O-N 2.96Å; S21-K25 PolarHBondContact O-N 3.16Å; S21-K25 VanDerWaalsContact O-N 3.12Å; S21-G210 PolarHBondContact OG-O 3.2Å; S21-W211 WeakPolarHBondContact CA-O 2.99Å; S21-W211 WeakPolarHBondContact OG-CA 3.47Å; S21-W211 PolarHBondContact OG-O 3.29Å; S21-Q213 WeakPolarHBondContact OG-CG 3.33Å; S21-Q213 PolarHBondContact OG-OE1 3.39Å
22C97.9Very high97.2Very high45 Ų4558.7 Ų58.730%0.30429%0.294SS..Hα-helixtrans-61.6-46.6174.4-730000111.2H18 L24 K25 K26H18-C22 VanDerWaalsContact CE1-SG 3.53Å; H18-C22 PolarHBondContact NE2-SG 3.35Å; H18-C22 VanDerWaalsContact NE2-SG 3.44Å; H18-C22 WeakPolarHBondContact O-CB 3.16Å; H18-C22 PolarHBondContact O-N 3.18Å; H18-C22 PolarHBondContact O-SG 2.78Å; H18-C22 VanDerWaalsContact O-SG 3.41Å; C22-L24 PolarHBondContact O-N 3.37Å; C22-K25 PolarHBondContact O-N 3.02Å; C22-K26 PolarHBondContact O-N 3.27Å
23S97.6Very high97.2Very high1 Ų153.7 Ų53.71%0.00727%0.268CS..Hα-helixtrans-66-34.6178.9-77.70000113.7Q19 F20 P27 N30 Y32 S33 Y37Q19-S23 VanDerWaalsContact O-CB 3.31Å; Q19-S23 WeakPolarHBondContact O-CB 3.39Å; Q19-S23 PolarHBondContact O-N 2.79Å; Q19-S23 PolarHBondContact O-OG 3.07Å; F20-S23 PolarHBondContact O-N 2.84Å; S23-P27 WeakPolarHBondContact O-CA 3.27Å; S23-P27 WeakPolarHBondContact O-CG 3.38Å; S23-N30 PolarHBondContact OG-ND2 3.14Å; S23-N30 PolarHBondContact OG-OD1 3.26Å; S23-Y32 WeakPolarHBondContact OG-CB 3.34Å; S23-S33 WeakPolarHBondContact CB-OG 3.48Å; S23-S33 PolarHBondContact OG-N 3.21Å; S23-S33 PolarHBondContact OG-OG 2.96Å; S23-Y37 WeakPolarHBondContact O-CE2 3.3Å
24L97Very high97.3Very high11 Ų1153.3 Ų53.36%0.05827%0.265CS..Hα-helixtrans-70.5-35.1176.6-170.468.3000111.9F20 S21 C22 L36 Y37 L41 F173 L206 W211 F212F20-L24 VanDerWaalsContact O-CB 3.23Å; F20-L24 WeakPolarHBondContact O-CB 3.48Å; F20-L24 PolarHBondContact O-N 3.14Å; S21-L24 PolarHBondContact O-N 2.96Å; C22-L24 PolarHBondContact O-N 3.37Å; L24-L36 HydrophobicContact CB-CD1 4.28Å; L24-L36 HydrophobicContact CD1-CD1 4.47Å; L24-Y37 PolarHBondContact O-OH 2.88Å; L24-L41 HydrophobicContact CD1-CD1 3.96Å; L24-F173 HydrophobicContact CB-CZ 4.33Å; L24-F173 HydrophobicContact CD2-CZ 3.93Å; L24-F173 HydrophobicContact CG-CE2 4.25Å; L24-F173 HydrophobicContact CG-CZ 3.74Å; L24-F173 WeakPolarHBondContact O-CE2 3.39Å; L24-L206 HydrophobicContact CD1-CD1 4.3Å; L24-L206 HydrophobicContact CD2-CD1 4.22Å; L24-W211 HydrophobicContact CD2-CB 4.12Å; L24-F212 HydrophobicContact CD2-CD1 4.4Å; L24-F212 HydrophobicContact CD2-CE1 4.09Å; L24-F212 HydrophobicContact CD2-CZ 4.17Å
25K97.1Very high97.3Very high86 Ų8653.5 Ų53.537%0.37426%0.262SS..Hα-helixtrans-74.1-53.9176.9172.6172.9177.6177.60113.1S21 C22 F173 Y214S21-K25 PolarHBondContact O-N 3.16Å; S21-K25 VanDerWaalsContact O-N 3.12Å; C22-K25 PolarHBondContact O-N 3.02Å; K25-F173 HydrophobicContact CB-CD1 3.71Å; K25-F173 HydrophobicContact CB-CE1 3.92Å; K25-F173 HydrophobicContact CB-CG 4.14Å; K25-F173 HydrophobicContact CD-CD1 4.35Å; K25-F173 HydrophobicContact CG-CB 4.14Å; K25-F173 HydrophobicContact CG-CD1 3.88Å; K25-F173 HydrophobicContact CG-CG 4.06Å; K25-Y214 HydrophobicContact CD-CG 4.34Å
26K97.5Very high97.3Very high73 Ų7349.1 Ų49.132%0.31724%0.242SC..SBendtrans-140.694.3-176.9-179.4170.1162.5155.50108.4C22 I124 E126C22-K26 PolarHBondContact O-N 3.27Å; K26-I124 HydrophobicContact CB-CD1 4.2Å; K26-I124 HydrophobicContact CD-CD1 4.47Å; K26-I124 HydrophobicContact CD-CG1 4.5Å; K26-I124 WeakPolarHBondContact CE-O 3.44Å; K26-I124 HydrophobicContact CG-CD1 4.38Å; K26-I124 HydrophobicContact CG-CG1 4.39Å; K26-I124 PolarHBondContact NZ-O 3.27Å; K26-E126 WeakPolarHBondContact CE-OE2 3.41Å; K26-E126 VanDerWaalsContact NZ-CD 3.33Å; K26-E126 IonicContact NZ-OE1 2.87Å; K26-E126 PolarHBondContact NZ-OE1 2.9Å; K26-E126 IonicContact NZ-OE2 3.63Å; K26-E126 PolarHBondContact NZ-OE2 3.25Å
27P97.1Very high97.2Very high7 Ų748.2 Ų48.25%0.04524%0.235CC..  trans-61144-176.6-23.133.5000111.7S23 Y37 S125 Y127 M128S23-P27 WeakPolarHBondContact O-CA 3.27Å; S23-P27 WeakPolarHBondContact O-CG 3.38Å; P27-Y37 HydrophobicContact CB-CD2 4.06Å; P27-Y37 HydrophobicContact CB-CE2 3.92Å; P27-Y37 HydrophobicContact CG-CD2 3.87Å; P27-Y37 HydrophobicContact CG-CE1 4.12Å; P27-Y37 HydrophobicContact CG-CE2 3.33Å; P27-Y37 HydrophobicContact CG-CG 4.5Å; P27-Y37 VanDerWaalsContact CG-CZ 3.44Å; P27-S125 WeakPolarHBondContact O-CB 3.37Å; P27-S125 PolarHBondContact O-OG 2.92Å; P27-Y127 HydrophobicContact CB-CD1 4.22Å; P27-M128 HydrophobicContact CB-CE 3.5Å; P27-M128 VanDerWaalsContact CB-CE 3.5Å; P27-M128 HydrophobicContact CB-CG 4.11Å; P27-M128 HydrophobicContact CG-CE 3.63Å; P27-M128 HydrophobicContact CG-CG 4.16Å
28T97.3Very high97Very high57 Ų5749.8 Ų49.835%0.3524%0.242SC..  trans-126.6-176.617463.30000110N30 S33 Y127T28-N30 PolarHBondContact O-N 3.22Å; T28-N30 VanDerWaalsContact O-N 3.12Å; T28-N30 VanDerWaalsContact OG1-CG 3.26Å; T28-N30 PolarHBondContact OG1-ND2 3.48Å; T28-S33 PolarHBondContact N-OG 3.03Å; T28-S33 WeakPolarHBondContact O-CB 3.39Å; T28-S33 PolarHBondContact O-OG 3.45Å; T28-Y127 VanDerWaalsContact O-CD1 3.23Å; T28-Y127 WeakPolarHBondContact O-CD1 3.34Å; T28-Y127 WeakPolarHBondContact O-CE1 3.43Å
29S96.2Very high96.8Very high103 Ų10353.7 Ų53.772%0.7226%0.255SS*.SBendtrans-72.84.9177.953.10000114.4
30N97.1Very high96.6Very high47 Ų4754.3 Ų54.325%0.25126%0.257SS..SBendtrans-72.1168.3-177.975.217.1000113.7S23 T28 Y32 S33 K34S23-N30 PolarHBondContact OG-ND2 3.14Å; S23-N30 PolarHBondContact OG-OD1 3.26Å; T28-N30 PolarHBondContact O-N 3.22Å; T28-N30 VanDerWaalsContact O-N 3.12Å; T28-N30 VanDerWaalsContact OG1-CG 3.26Å; T28-N30 PolarHBondContact OG1-ND2 3.48Å; N30-Y32 PolarHBondContact O-N 3.48Å; N30-Y32 PolarHBondContact OD1-N 3.34Å; N30-S33 VanDerWaalsContact OD1-CB 3.25Å; N30-S33 WeakPolarHBondContact OD1-CB 3.43Å; N30-S33 PolarHBondContact OD1-N 2.65Å; N30-S33 PolarHBondContact OD1-OG 3.31Å; N30-K34 PolarHBondContact O-N 3.27Å; N30-K34 VanDerWaalsContact O-N 3.1Å
31F96.9Very high96.5Very high150 Ų15053.4 Ų53.466%0.65825%0.253SS*.Hα-helixtrans-60.7-43-178.7173.5-97.7000113.2S33 K34 Y35F31-S33 PolarHBondContact O-N 2.77Å; F31-K34 PolarHBondContact O-N 3.25Å; F31-Y35 PolarHBondContact O-N 2.98Å
32Y97.6Very high96.2Very high52 Ų5257.2 Ų57.220%0.20427%0.269CS..Hα-helixtrans-61.3-46.2-178.5-60.6-86.4000112Q19 F20 S23 N30 K34 Y35 L36Q19-Y32 HydrophobicContact CB-CD1 3.8Å; Q19-Y32 HydrophobicContact CB-CD2 3.63Å; Q19-Y32 HydrophobicContact CB-CE1 3.73Å; Q19-Y32 HydrophobicContact CB-CE2 3.55Å; Q19-Y32 HydrophobicContact CB-CG 3.76Å; Q19-Y32 HydrophobicContact CG-CD2 4.1Å; Q19-Y32 HydrophobicContact CG-CE1 4.36Å; Q19-Y32 HydrophobicContact CG-CE2 3.59Å; F20-Y32 AromaticContact CD1-CD1 3.97Å; F20-Y32 HydrophobicContact CD1-CD1 3.97Å; F20-Y32 HydrophobicContact CD2-CD1 4.15Å; F20-Y32 HydrophobicContact CD2-CE1 4.5Å; F20-Y32 AromaticContact CE1-CD1 3.72Å; F20-Y32 HydrophobicContact CE1-CD1 3.72Å; F20-Y32 HydrophobicContact CE1-CG 4.47Å; F20-Y32 AromaticContact CE2-CD1 3.92Å; F20-Y32 HydrophobicContact CE2-CD1 3.92Å; F20-Y32 HydrophobicContact CE2-CE1 4.18Å; F20-Y32 HydrophobicContact CG-CD1 4.18Å; F20-Y32 AromaticContact CZ-CD1 3.71Å; F20-Y32 HydrophobicContact CZ-CD1 3.71Å; F20-Y32 HydrophobicContact CZ-CE1 4.29Å; S23-Y32 WeakPolarHBondContact OG-CB 3.34Å; N30-Y32 PolarHBondContact O-N 3.48Å; N30-Y32 PolarHBondContact OD1-N 3.34Å; Y32-K34 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 2.79Å; Y32-Y35 PolarHBondContact O-N 3.13Å; Y32-L36 WeakPolarHBondContact O-CB 3.31Å; Y32-L36 WeakPolarHBondContact O-CG 3.5Å; Y32-L36 PolarHBondContact O-N 3.48Å
33S97.6Very high96Very high0 Ų062.9 Ų62.90%029%0.289CS..Hα-helixtrans-63.8-40.5176.1-51.80000111.3S23 T28 N30 F31 L36 Y37S23-S33 WeakPolarHBondContact CB-OG 3.48Å; S23-S33 PolarHBondContact OG-N 3.21Å; S23-S33 PolarHBondContact OG-OG 2.96Å; T28-S33 PolarHBondContact N-OG 3.03Å; T28-S33 WeakPolarHBondContact O-CB 3.39Å; T28-S33 PolarHBondContact O-OG 3.45Å; N30-S33 VanDerWaalsContact OD1-CB 3.25Å; N30-S33 WeakPolarHBondContact OD1-CB 3.43Å; N30-S33 PolarHBondContact OD1-N 2.65Å; N30-S33 PolarHBondContact OD1-OG 3.31Å; F31-S33 PolarHBondContact O-N 2.77Å; S33-L36 PolarHBondContact O-N 2.89Å; S33-Y37 WeakPolarHBondContact O-CD2 3.29Å; S33-Y37 PolarHBondContact O-N 3.41Å
34K96.8Very high95.7Very high92 Ų9264.5 Ų64.540%0.430%0.296SS..Hα-helixtrans-62-48.1174.7173.3158.8-172.6-170.70111.2N30 F31 Y32 Q38 Y39N30-K34 PolarHBondContact O-N 3.27Å; N30-K34 VanDerWaalsContact O-N 3.1Å; F31-K34 PolarHBondContact O-N 3.25Å; Y32-K34 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 2.79Å; K34-Q38 HydrophobicContact CG-CG 4.3Å; K34-Q38 WeakPolarHBondContact O-CA 3.23Å; K34-Q38 WeakPolarHBondContact O-CB 3.47Å; K34-Q38 WeakPolarHBondContact O-CG 3.02Å; K34-Q38 PolarHBondContact O-N 2.86Å; K34-Y39 HydrophobicContact CG-CE2 4.15Å
35Y97.1Very high95.6Very high95 Ų9565.4 Ų65.437%0.37330%0.301SS..Hα-helixtrans-57.2-51175.9171-97.2000111.8F20 F31 Y32 Y39 K40F20-Y35 AromaticContact CE1-CD1 3.7Å; F20-Y35 HydrophobicContact CE1-CD1 3.7Å; F20-Y35 HydrophobicContact CE1-CE1 4.17Å; F20-Y35 HydrophobicContact CZ-CD1 4.12Å; F20-Y35 HydrophobicContact CZ-CE1 4.33Å; F31-Y35 PolarHBondContact O-N 2.98Å; Y32-Y35 PolarHBondContact O-N 3.13Å; Y35-Y39 WeakPolarHBondContact O-CB 3.44Å; Y35-Y39 PolarHBondContact O-N 3.44Å; Y35-K40 HydrophobicContact CD1-CB 4.46Å; Y35-K40 HydrophobicContact CE1-CB 3.98Å; Y35-K40 HydrophobicContact CE1-CD 3.98Å; Y35-K40 HydrophobicContact CE1-CG 4.48Å; Y35-K40 PolarHBondContact O-N 2.92Å
36L96.3Very high95.4Very high0 Ų065.7 Ų65.70%030%0.302CS..Iπ-helixtrans-59.6-58.4-178.2-74.7177.9000111.8F20 L24 Y32 S33 K40 L41 W211F20-L36 HydrophobicContact CD1-CD1 3.97Å; F20-L36 HydrophobicContact CD1-CD2 4Å; F20-L36 HydrophobicContact CD1-CG 3.91Å; F20-L36 HydrophobicContact CE1-CD2 4.25Å; F20-L36 HydrophobicContact CE1-CG 4.18Å; L24-L36 HydrophobicContact CB-CD1 4.28Å; L24-L36 HydrophobicContact CD1-CD1 4.47Å; Y32-L36 WeakPolarHBondContact O-CB 3.31Å; Y32-L36 WeakPolarHBondContact O-CG 3.5Å; Y32-L36 PolarHBondContact O-N 3.48Å; S33-L36 PolarHBondContact O-N 2.89Å; L36-K40 HydrophobicContact CD2-CD 4.14Å; L36-K40 PolarHBondContact O-N 3.27Å; L36-L41 HydrophobicContact CB-CD1 4.43Å; L36-L41 WeakPolarHBondContact O-CB 3.38Å; L36-L41 PolarHBondContact O-N 3.1Å; L36-W211 HydrophobicContact CD2-CE3 4.1Å; L36-W211 HydrophobicContact CD2-CH2 4.2Å; L36-W211 HydrophobicContact CD2-CZ3 3.46Å; L36-W211 VanDerWaalsContact CD2-CZ3 3.46Å
37Y95.7Very high95.3Very high41 Ų4163.2 Ų63.216%0.16129%0.293CS..Iπ-helixtrans-89.9-19.1-166.8-69.2-90.2000114.1S23 L24 P27 S33 L41 K42 M128S23-Y37 WeakPolarHBondContact O-CE2 3.3Å; L24-Y37 PolarHBondContact O-OH 2.88Å; P27-Y37 HydrophobicContact CB-CD2 4.06Å; P27-Y37 HydrophobicContact CB-CE2 3.92Å; P27-Y37 HydrophobicContact CG-CD2 3.87Å; P27-Y37 HydrophobicContact CG-CE1 4.12Å; P27-Y37 HydrophobicContact CG-CE2 3.33Å; P27-Y37 HydrophobicContact CG-CG 4.5Å; P27-Y37 VanDerWaalsContact CG-CZ 3.44Å; S33-Y37 WeakPolarHBondContact O-CD2 3.29Å; S33-Y37 PolarHBondContact O-N 3.41Å; Y37-L41 HydrophobicContact CE1-CD1 4.5Å; Y37-K42 WeakPolarHBondContact O-CB 3.43Å; Y37-M128 HydrophobicContact CD1-CE 3.62Å; Y37-M128 HydrophobicContact CD2-CE 3.8Å; Y37-M128 HydrophobicContact CE1-CE 4.24Å; Y37-M128 HydrophobicContact CE2-CE 4.44Å; Y37-M128 HydrophobicContact CG-CE 3.36Å
38Q93.2Very high95.3Very high46 Ų4662.9 Ų62.922%0.21529%0.291CS..Iπ-helixtrans-97.8-18.5178.4-51.8-177.836.900112.9K34 K42 Y127 K131K34-Q38 HydrophobicContact CG-CG 4.3Å; K34-Q38 WeakPolarHBondContact O-CA 3.23Å; K34-Q38 WeakPolarHBondContact O-CB 3.47Å; K34-Q38 WeakPolarHBondContact O-CG 3.02Å; K34-Q38 PolarHBondContact O-N 2.86Å; Q38-K42 WeakPolarHBondContact O-CD 3.18Å; Q38-Y127 PolarHBondContact NE2-OH 3.45Å; Q38-K131 VanDerWaalsContact CD-NZ 3.28Å
39Y93.5Very high95.3Very high154 Ų15460.7 Ų60.760%0.60428%0.277SS*.Iπ-helixtrans-127.5-67.1-177.6-54.8-89.3000112.2K34 Y35 L41K34-Y39 HydrophobicContact CG-CE2 4.15Å; Y35-Y39 WeakPolarHBondContact O-CB 3.44Å; Y35-Y39 PolarHBondContact O-N 3.44Å; Y39-L41 PolarHBondContact O-N 3.16Å
40K93.6Very high95.3Very high57 Ų5755.9 Ų55.925%0.24824%0.243CC..Iπ-helixtrans-61.7-49.3-169.9-174.5176.4177-179.60113.2Y35 L36 D205 W211Y35-K40 HydrophobicContact CD1-CB 4.46Å; Y35-K40 HydrophobicContact CE1-CB 3.98Å; Y35-K40 HydrophobicContact CE1-CD 3.98Å; Y35-K40 HydrophobicContact CE1-CG 4.48Å; Y35-K40 PolarHBondContact O-N 2.92Å; L36-K40 HydrophobicContact CD2-CD 4.14Å; L36-K40 PolarHBondContact O-N 3.27Å; K40-D205 IonicContact NZ-OD2 2.9Å; K40-D205 PolarHBondContact NZ-OD2 3.02Å; K40-W211 HydrophobicContact CD-CH2 4.25Å; K40-W211 HydrophobicContact CD-CZ3 4.01Å
41L94.5Very high95.3Very high4 Ų453.6 Ų53.62%0.02123%0.231CC..THydrogen-bonded Turntrans-99.8-14.1-171.6-56.4179.3000113.2L24 L36 Y37 Y39 K43 Q44 N45 Q202L24-L41 HydrophobicContact CD1-CD1 3.96Å; L36-L41 HydrophobicContact CB-CD1 4.43Å; L36-L41 WeakPolarHBondContact O-CB 3.38Å; L36-L41 PolarHBondContact O-N 3.1Å; Y37-L41 HydrophobicContact CE1-CD1 4.5Å; Y39-L41 PolarHBondContact O-N 3.16Å; L41-K43 PolarHBondContact O-N 3.29Å; L41-Q44 PolarHBondContact O-N 3.36Å; L41-N45 WeakPolarHBondContact O-CB 3.43Å; L41-N45 PolarHBondContact O-N 2.66Å; L41-Q202 VanDerWaalsContact CD2-NE2 3.31Å
42K93.5Very high95.3Very high80 Ų8046.5 Ų46.535%0.34820%0.2SC..Hα-helixtrans-56.6-49.9-166.3-172.9175.5-1791800113.7Y37 Q38 K46Y37-K42 WeakPolarHBondContact O-CB 3.43Å; Q38-K42 WeakPolarHBondContact O-CD 3.18Å; K42-K46 WeakPolarHBondContact O-CG 3.29Å; K42-K46 PolarHBondContact O-N 3.43Å
43K92.3Very high95.3Very high165 Ų16544 Ų4472%0.71719%0.191SC*.Hα-helixtrans-65.2-48.4-176.7-177.5-178177.4-174.10110.8L41 K46 L47L41-K43 PolarHBondContact O-N 3.29Å; K43-K46 PolarHBondContact O-N 3.49Å; K43-L47 HydrophobicContact CG-CD1 4.46Å; K43-L47 PolarHBondContact O-N 3.09Å
44Q91.8Very high95.1Very high34 Ų3446.1 Ų46.116%0.15920%0.202CC..Hα-helixtrans-68.3-42.8-177-166.7-160.157.900111.4L41 K46 L47 L48 Q199 Q202L41-Q44 PolarHBondContact O-N 3.36Å; Q44-K46 VanDerWaalsContact C-N 3.26Å; Q44-K46 PolarHBondContact O-N 3.14Å; Q44-L47 PolarHBondContact O-N 3.07Å; Q44-L48 HydrophobicContact CG-CD1 4.06Å; Q44-L48 HydrophobicContact CG-CG 4.29Å; Q44-L48 WeakPolarHBondContact O-CG 3.44Å; Q44-L48 PolarHBondContact O-N 2.94Å; Q44-Q199 VanDerWaalsContact CD-OE1 3.24Å; Q44-Q202 VanDerWaalsContact CD-NE2 3.33Å
45N94.4Very high95.1Very high30 Ų3042 Ų4216%0.1619%0.185CC..Hα-helixtrans-57.4-40175.3-792.3000111.6L41 L47 L48 T49 N169L41-N45 WeakPolarHBondContact O-CB 3.43Å; L41-N45 PolarHBondContact O-N 2.66Å; N45-L47 VanDerWaalsContact C-N 3.32Å; N45-L47 PolarHBondContact O-N 2.79Å; N45-L48 PolarHBondContact O-N 3.01Å; N45-T49 VanDerWaalsContact O-CB 3.22Å; N45-T49 WeakPolarHBondContact O-CB 3.34Å; N45-T49 PolarHBondContact O-N 2.88Å; N45-T49 PolarHBondContact O-OG1 2.73Å; N45-N169 PolarHBondContact OD1-ND2 3.38Å
46K94.4Very high95.1Very high92 Ų9237.7 Ų37.740%0.417%0.169SC..Hα-helixtrans-59.8-40.7174.9-77.4-177.1173.2-159.90113.3K42 K43 Q44 A50 D73K42-K46 WeakPolarHBondContact O-CG 3.29Å; K42-K46 PolarHBondContact O-N 3.43Å; K43-K46 PolarHBondContact O-N 3.49Å; Q44-K46 VanDerWaalsContact C-N 3.26Å; Q44-K46 PolarHBondContact O-N 3.14Å; K46-A50 PolarHBondContact O-N 3.11Å; K46-D73 VanDerWaalsContact CE-OD2 3.26Å; K46-D73 WeakPolarHBondContact CE-OD2 3.19Å; K46-D73 HydrophobicContact CG-CB 4.43Å; K46-D73 WeakPolarHBondContact CG-OD2 3.41Å
47L95Very high95.1Very high22 Ų2241.4 Ų41.412%0.11519%0.188CC..Hα-helixtrans-73.8-42-179.8-63.6170.3000111.4K43 Q44 N45 T49 A50 A51 T241 F243 N244 Y249K43-L47 HydrophobicContact CG-CD1 4.46Å; K43-L47 PolarHBondContact O-N 3.09Å; Q44-L47 PolarHBondContact O-N 3.07Å; N45-L47 VanDerWaalsContact C-N 3.32Å; N45-L47 PolarHBondContact O-N 2.79Å; L47-T49 VanDerWaalsContact C-N 3.34Å; L47-T49 PolarHBondContact O-N 2.94Å; L47-A50 PolarHBondContact O-N 3.43Å; L47-A51 PolarHBondContact O-N 3.27Å; L47-T241 HydrophobicContact CD2-CG2 4.26Å; L47-F243 HydrophobicContact CD2-CB 4.06Å; L47-N244 HydrophobicContact CD2-CB 4.03Å; L47-Y249 HydrophobicContact CB-CE1 4.21Å; L47-Y249 HydrophobicContact CB-CE2 3.9Å; L47-Y249 VanDerWaalsContact CB-OH 3.32Å; L47-Y249 WeakPolarHBondContact CB-OH 3.23Å; L47-Y249 WeakPolarHBondContact CD1-OH 3.25Å
48L96.1Very high95.2Very high0 Ų039.8 Ų39.80%018%0.182CC..Hα-helixtrans-58.2-45.5172.2-71.5171.5000111.7Q44 N45 A51 A52 V168 N169 T197 F198 Y249Q44-L48 HydrophobicContact CG-CD1 4.06Å; Q44-L48 HydrophobicContact CG-CG 4.29Å; Q44-L48 WeakPolarHBondContact O-CG 3.44Å; Q44-L48 PolarHBondContact O-N 2.94Å; N45-L48 PolarHBondContact O-N 3.01Å; L48-A51 PolarHBondContact O-N 3.09Å; L48-A52 PolarHBondContact O-N 2.92Å; L48-V168 HydrophobicContact CB-CG1 3.53Å; L48-V168 HydrophobicContact CD1-CG1 4.23Å; L48-V168 HydrophobicContact CG-CG1 4.5Å; L48-N169 WeakPolarHBondContact CD1-ND2 3.25Å; L48-T197 VanDerWaalsContact C-OG1 3.29Å; L48-T197 PolarHBondContact O-OG1 2.79Å; L48-F198 WeakPolarHBondContact CD2-O 3.38Å; L48-Y249 HydrophobicContact CD2-CD1 3.42Å; L48-Y249 VanDerWaalsContact CD2-CD1 3.42Å; L48-Y249 HydrophobicContact CD2-CE1 4.38Å; L48-Y249 HydrophobicContact CD2-CG 3.65Å; L48-Y249 HydrophobicContact CG-CD1 4.06Å
49T97.1Very high95.4Very high10 Ų1042.6 Ų42.66%0.06119%0.194CC..Hα-helixtrans-59.8-46.3174.7-660000112N45 L47 A51 A52 I53 L77N45-T49 VanDerWaalsContact O-CB 3.22Å; N45-T49 WeakPolarHBondContact O-CB 3.34Å; N45-T49 PolarHBondContact O-N 2.88Å; N45-T49 PolarHBondContact O-OG1 2.73Å; L47-T49 VanDerWaalsContact C-N 3.34Å; L47-T49 PolarHBondContact O-N 2.94Å; T49-A51 VanDerWaalsContact C-N 3.33Å; T49-A51 PolarHBondContact O-N 2.57Å; T49-A52 PolarHBondContact O-N 3.42Å; T49-I53 WeakPolarHBondContact O-CG1 3.32Å; T49-I53 PolarHBondContact O-N 2.85Å; T49-L77 HydrophobicContact CG2-CD1 4.17Å
50A96.4Very high95.6Very high2 Ų239.4 Ų39.42%0.01719%0.192CC..Hα-helixtrans-62.5-41.6177.200000112.1K46 L47 A52 I53 D54 L77 T241 F243K46-A50 PolarHBondContact O-N 3.11Å; L47-A50 PolarHBondContact O-N 3.43Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A50-A52 PolarHBondContact O-N 2.96Å; A50-I53 PolarHBondContact O-N 3.15Å; A50-D54 VanDerWaalsContact O-CG 3.29Å; A50-D54 PolarHBondContact O-N 3Å; A50-L77 HydrophobicContact CB-CD1 4.15Å; A50-T241 HydrophobicContact CB-CG2 4.42Å; A50-T241 VanDerWaalsContact CB-OG1 3.29Å; A50-T241 WeakPolarHBondContact CB-OG1 3.13Å; A50-F243 HydrophobicContact CB-CD2 3.45Å; A50-F243 VanDerWaalsContact CB-CD2 3.45Å; A50-F243 HydrophobicContact CB-CE2 3.67Å
51A96.4Very high95.7Very high0 Ų038.4 Ų38.40%020%0.198CC..Hα-helixtrans-61-39.8174.500000112.4L47 L48 T49 D54 A55 T197 Q239 Y249L47-A51 PolarHBondContact O-N 3.27Å; L48-A51 PolarHBondContact O-N 3.09Å; T49-A51 VanDerWaalsContact C-N 3.33Å; T49-A51 PolarHBondContact O-N 2.57Å; A51-D54 PolarHBondContact O-N 3Å; A51-A55 WeakPolarHBondContact O-CB 3.38Å; A51-A55 PolarHBondContact O-N 3.27Å; A51-T197 HydrophobicContact CB-CG2 4.22Å; A51-Q239 HydrophobicContact CB-CB 4.32Å; A51-Q239 HydrophobicContact CB-CG 3.86Å; A51-Y249 HydrophobicContact CB-CD2 3.92Å
52A97.8Very high95.9Very high0 Ų039.6 Ų39.60%020%0.204CC..Hα-helixtrans-64.5-43.417600000111.9L48 T49 A50 A55 C56 F166 V168 V195 T197L48-A52 PolarHBondContact O-N 2.92Å; T49-A52 PolarHBondContact O-N 3.42Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A50-A52 PolarHBondContact O-N 2.96Å; A52-A55 PolarHBondContact O-N 3.1Å; A52-C56 PolarHBondContact O-N 2.88Å; A52-C56 PolarHBondContact O-SG 3.21Å; A52-F166 HydrophobicContact CB-CD2 4.05Å; A52-V168 HydrophobicContact CB-CG2 4Å; A52-V195 HydrophobicContact CB-CG1 4.18Å; A52-T197 HydrophobicContact CB-CG2 3.77Å
53I96.9Very high96.1Very high1 Ų137.4 Ų37.41%0.00520%0.197CC..Hα-helixtrans-62.9-44.9176.5-67.6-65.2000111.1T49 A50 A55 C56 L58 L77 A78 Y81 F166T49-I53 WeakPolarHBondContact O-CG1 3.32Å; T49-I53 PolarHBondContact O-N 2.85Å; A50-I53 PolarHBondContact O-N 3.15Å; I53-A55 VanDerWaalsContact C-N 3.33Å; I53-A55 PolarHBondContact O-N 2.88Å; I53-C56 WeakPolarHBondContact O-CB 3.16Å; I53-C56 PolarHBondContact O-N 2.88Å; I53-L58 HydrophobicContact CD1-CD1 4.14Å; I53-L58 HydrophobicContact CG2-CD1 4.28Å; I53-L77 HydrophobicContact CG1-CB 4.18Å; I53-A78 HydrophobicContact CD1-CB 3.72Å; I53-Y81 HydrophobicContact CG2-CD2 3.84Å; I53-Y81 HydrophobicContact CG2-CE2 3.62Å; I53-Y81 HydrophobicContact CG2-CG 4.46Å; I53-F166 HydrophobicContact CD1-CD1 4.18Å; I53-F166 HydrophobicContact CD1-CD2 4.46Å; I53-F166 HydrophobicContact CD1-CE1 3.53Å; I53-F166 HydrophobicContact CD1-CE2 3.85Å; I53-F166 HydrophobicContact CD1-CZ 3.35Å; I53-F166 HydrophobicContact CG1-CE2 4.44Å; I53-F166 HydrophobicContact CG1-CZ 4.35Å
54D94.9Very high96.4Very high43 Ų4329.6 Ų29.623%0.2316%0.163CC..Hα-helixtrans-60.7-43.3177.5-70.3-27.3000110.5A50 A51 C56 N57 Y81 T241A50-D54 VanDerWaalsContact O-CG 3.29Å; A50-D54 PolarHBondContact O-N 3Å; A51-D54 PolarHBondContact O-N 3Å; D54-C56 VanDerWaalsContact C-N 3.34Å; D54-C56 PolarHBondContact O-N 3.43Å; D54-N57 PolarHBondContact O-N 3.36Å; D54-Y81 PolarHBondContact OD1-OH 2.79Å; D54-T241 PolarHBondContact OD2-OG1 3.43Å
55A96.3Very high96.7Very high5 Ų528 Ų284%0.04116%0.155CC..Hα-helixtrans-67.8-27.7176.900000114.2A51 A52 I53 N57 R193 V195 Q239 I253A51-A55 WeakPolarHBondContact O-CB 3.38Å; A51-A55 PolarHBondContact O-N 3.27Å; A52-A55 PolarHBondContact O-N 3.1Å; I53-A55 VanDerWaalsContact C-N 3.33Å; I53-A55 PolarHBondContact O-N 2.88Å; A55-N57 PolarHBondContact O-N 2.98Å; A55-R193 PolarHBondContact O-NH1 2.89Å; A55-R193 VanDerWaalsContact O-NH1 3.07Å; A55-V195 HydrophobicContact CB-CG1 3.78Å; A55-V195 HydrophobicContact CB-CG2 4.38Å; A55-Q239 HydrophobicContact CB-CG 4.33Å; A55-I253 HydrophobicContact CB-CD1 3.8Å; A55-I253 HydrophobicContact CB-CG1 4.28Å
56C97.7Very high96.9Very high6 Ų626.7 Ų26.74%0.04115%0.148CC..Hα-helixtrans-63.6-22.9173.7-72.20000113A52 I53 D54 L58 A164A52-C56 PolarHBondContact O-N 2.88Å; A52-C56 PolarHBondContact O-SG 3.21Å; I53-C56 WeakPolarHBondContact O-CB 3.16Å; I53-C56 PolarHBondContact O-N 2.88Å; D54-C56 VanDerWaalsContact C-N 3.34Å; D54-C56 PolarHBondContact O-N 3.43Å; C56-L58 VanDerWaalsContact C-N 3.26Å; C56-L58 HydrophobicContact CB-CD1 4.39Å; C56-L58 HydrophobicContact CB-CD2 3.71Å; C56-L58 HydrophobicContact CB-CG 3.69Å; C56-L58 PolarHBondContact O-N 2.97Å; C56-A164 HydrophobicContact CB-CB 4.2Å
57N96.2Very high97.1Very high77 Ų7722.5 Ų22.541%0.41213%0.13SC..THydrogen-bonded Turntrans53.641.9-177.3-174.235.9000113.2D54 A55 K59D54-N57 PolarHBondContact O-N 3.36Å; A55-N57 PolarHBondContact O-N 2.98Å; N57-K59 PolarHBondContact OD1-NZ 3.45Å
58L97.7Very high97.3Very high7 Ų722.6 Ų22.64%0.03714%0.136CC..  trans-60.7143.5-177.6-58.9178.5000112.3I53 C56 V64 A78 Y81 V82 A164I53-L58 HydrophobicContact CD1-CD1 4.14Å; I53-L58 HydrophobicContact CG2-CD1 4.28Å; C56-L58 VanDerWaalsContact C-N 3.26Å; C56-L58 HydrophobicContact CB-CD1 4.39Å; C56-L58 HydrophobicContact CB-CD2 3.71Å; C56-L58 HydrophobicContact CB-CG 3.69Å; C56-L58 PolarHBondContact O-N 2.97Å; L58-V64 HydrophobicContact CD1-CB 4.4Å; L58-V64 HydrophobicContact CD1-CG1 4.33Å; L58-V64 HydrophobicContact CD1-CG2 4.1Å; L58-V64 HydrophobicContact CD2-CB 3.92Å; L58-V64 HydrophobicContact CD2-CG2 3.8Å; L58-A78 HydrophobicContact CD1-CB 4.27Å; L58-Y81 HydrophobicContact CB-CD1 4.5Å; L58-Y81 HydrophobicContact CB-CG 4.42Å; L58-V82 HydrophobicContact CB-CG1 4.05Å; L58-V82 HydrophobicContact CD1-CG1 4.08Å; L58-V82 HydrophobicContact CD2-CG1 4.46Å; L58-V82 HydrophobicContact CG-CG1 4.42Å; L58-A164 HydrophobicContact CD2-CB 3.77Å
59K96.9Very high97.3Very high105 Ų10522.9 Ų22.946%0.45714%0.137SC..  trans-120.2157.2174.3-53.9-56.5177.4-156.40111.1N57 G61 D62 Y81N57-K59 PolarHBondContact OD1-NZ 3.45Å; K59-G61 PolarHBondContact O-N 2.92Å; K59-D62 PolarHBondContact N-OD2 2.96Å; K59-D62 WeakPolarHBondContact O-CB 3.4Å; K59-D62 PolarHBondContact O-N 2.82Å; K59-D62 VanDerWaalsContact O-N 3.14Å; K59-Y81 CarbonylContact C-O 3.49Å
60P96.8Very high97.3Very high87 Ų8723.1 Ų23.157%0.56514%0.141SC*.THydrogen-bonded Turntrans-52.3134.7167.5-26.135.7000111Y81 V82 P84P60-Y81 WeakPolarHBondContact CA-O 3.49Å; P60-V82 WeakPolarHBondContact CA-O 3.05Å; P60-P84 HydrophobicContact CB-CG 3.98Å; P60-P84 HydrophobicContact CG-CG 4Å
61G96.4Very high97.3Very high36 Ų3624.7 Ų24.737%0.37115%0.149SC..THydrogen-bonded Turntrans88.8-7.2-177.500000115.4K59 V82 N115K59-G61 PolarHBondContact O-N 2.92Å; G61-V82 PolarHBondContact N-O 2.84Å; G61-N115 WeakPolarHBondContact CA-O 3.49Å; G61-N115 PolarHBondContact N-O 3.45Å
62D98Very high97.3Very high29 Ų2924.7 Ų24.716%0.15515%0.149CC..  trans-71.9142.9177.7-78.6-24.2000112.6K59 V82 G117 H118 N163K59-D62 PolarHBondContact N-OD2 2.96Å; K59-D62 WeakPolarHBondContact O-CB 3.4Å; K59-D62 PolarHBondContact O-N 2.82Å; K59-D62 VanDerWaalsContact O-N 3.14Å; D62-V82 HydrophobicContact CB-CG1 3.96Å; D62-V82 WeakPolarHBondContact O-CB 3.34Å; D62-G117 VanDerWaalsContact O-CA 3.32Å; D62-G117 WeakPolarHBondContact O-CA 3.37Å; D62-H118 PolarHBondContact O-N 2.69Å; D62-H118 VanDerWaalsContact O-N 3.16Å; D62-N163 HydrophobicContact CB-CB 3.99Å; D62-N163 VanDerWaalsContact OD1-CG 3.3Å; D62-N163 PolarHBondContact OD1-ND2 2.74Å
63N98.1Very high97.3Very high35 Ų3525.8 Ų25.819%0.18715%0.154CC..EExtended strand (participates in β ladder)trans-88.5122.5163.5-71-26000109.5H118 Y120 S161 I162 N163 A164N63-H118 CarbonylContact C-O 3.58Å; N63-H118 WeakPolarHBondContact CA-O 3.37Å; N63-H118 WeakPolarHBondContact OD1-CB 3.48Å; N63-Y120 HydrophobicContact CB-CE2 4.1Å; N63-S161 WeakPolarHBondContact CB-O 3.36Å; N63-S161 PolarHBondContact ND2-O 3.18Å; N63-I162 HydrophobicContact CB-CD1 4.21Å; N63-N163 PolarHBondContact N-OD1 2.7Å; N63-N163 WeakPolarHBondContact O-CB 3.32Å; N63-N163 PolarHBondContact O-N 3.01Å; N63-A164 PolarHBondContact O-N 2.94Å
64V98.7Very high97.3Very high0 Ų025.8 Ų25.80%015%0.154CC..EExtended strand (participates in β ladder)trans-123.5139.9-179.860.40000111.1L58 A78 V82 H118 V119 Y120 A164 F166L58-V64 HydrophobicContact CD1-CB 4.4Å; L58-V64 HydrophobicContact CD1-CG1 4.33Å; L58-V64 HydrophobicContact CD1-CG2 4.1Å; L58-V64 HydrophobicContact CD2-CB 3.92Å; L58-V64 HydrophobicContact CD2-CG2 3.8Å; V64-A78 HydrophobicContact CG1-CB 4.06Å; V64-V82 HydrophobicContact CG1-CG1 3.93Å; V64-V82 HydrophobicContact CG1-CG2 4.3Å; V64-H118 PolarHBondContact N-O 3.29Å; V64-V119 HydrophobicContact CG1-CB 4.14Å; V64-V119 HydrophobicContact CG1-CG1 4.06Å; V64-V119 HydrophobicContact CG1-CG2 3.76Å; V64-V119 WeakPolarHBondContact O-CA 3.38Å; V64-Y120 PolarHBondContact O-N 2.86Å; V64-A164 CarbonylContact C-O 3.53Å; V64-A164 VanDerWaalsContact CA-O 3.25Å; V64-A164 WeakPolarHBondContact CA-O 3.19Å; V64-A164 HydrophobicContact CG2-CB 4.45Å; V64-A164 WeakPolarHBondContact CG2-O 3.42Å; V64-F166 HydrophobicContact CG2-CD1 3.73Å; V64-F166 HydrophobicContact CG2-CE1 3.68Å
65L98.8Very high97.5Very high0 Ų023.7 Ų23.70%014%0.143CC..EExtended strand (participates in β ladder)trans-115.2117.7178174.262000111.1I67 Y120 I122 L155 Y157 I162 A164 C165 F166 V187L65-I67 HydrophobicContact CD2-CG1 4.43Å; L65-I67 HydrophobicContact CG-CG1 4.28Å; L65-Y120 CarbonylContact C-O 3.59Å; L65-Y120 WeakPolarHBondContact CA-O 3.35Å; L65-I122 HydrophobicContact CD1-CG2 4.45Å; L65-L155 HydrophobicContact CD2-CD1 4.07Å; L65-L155 HydrophobicContact CD2-CD2 4.2Å; L65-Y157 HydrophobicContact CD1-CE2 3.7Å; L65-Y157 HydrophobicContact CD2-CD2 4.17Å; L65-Y157 HydrophobicContact CD2-CE2 3.93Å; L65-Y157 HydrophobicContact CG-CE2 4.45Å; L65-I162 HydrophobicContact CB-CD1 4.41Å; L65-I162 HydrophobicContact CB-CG1 4.43Å; L65-I162 HydrophobicContact CB-CG2 3.92Å; L65-A164 PolarHBondContact N-O 3.4Å; L65-C165 HydrophobicContact CB-CB 4.33Å; L65-C165 CarbonylContact O-C 3.59Å; L65-C165 VanDerWaalsContact O-CA 3.23Å; L65-C165 WeakPolarHBondContact O-CA 3.25Å; L65-C165 PolarHBondContact O-SG 3.28Å; L65-C165 VanDerWaalsContact O-SG 3.4Å; L65-F166 PolarHBondContact O-N 2.92Å; L65-V187 HydrophobicContact CD2-CG2 4.35Å
66E98.8Very high97.5Very high4 Ų426.4 Ų26.42%0.01916%0.155CC..EExtended strand (participates in β ladder)trans-93.5127.3166.9-171.4171.5-163.700110.8F69 G74 I75 Y120 G121 I122 F166E66-F69 HydrophobicContact CB-CB 4.35Å; E66-F69 HydrophobicContact CG-CB 3.86Å; E66-F69 WeakPolarHBondContact OE2-CB 3.36Å; E66-G74 VanDerWaalsContact OE2-C 3.25Å; E66-G74 WeakPolarHBondContact OE2-CA 3.39Å; E66-I75 HydrophobicContact CB-CD1 3.74Å; E66-I75 HydrophobicContact CG-CD1 4.45Å; E66-I75 WeakPolarHBondContact OE2-CD1 3.37Å; E66-I75 WeakPolarHBondContact OE2-CG1 3.42Å; E66-I75 PolarHBondContact OE2-N 2.9Å; E66-Y120 PolarHBondContact N-O 2.94Å; E66-G121 WeakPolarHBondContact O-CA 3.29Å; E66-I122 PolarHBondContact O-N 2.93Å; E66-F166 WeakPolarHBondContact CA-O 3.27Å; E66-F166 HydrophobicContact CB-CD1 4.47Å; E66-F166 HydrophobicContact CB-CE1 3.77Å; E66-F166 HydrophobicContact CB-CE2 4Å; E66-F166 HydrophobicContact CB-CZ 3.49Å; E66-F166 VanDerWaalsContact CB-CZ 3.49Å; E66-F166 VanDerWaalsContact CD-CE2 3.42Å; E66-F166 VanDerWaalsContact CD-CZ 3.45Å; E66-F166 HydrophobicContact CG-CD2 4.16Å; E66-F166 HydrophobicContact CG-CE1 4.21Å; E66-F166 HydrophobicContact CG-CE2 3.48Å; E66-F166 VanDerWaalsContact CG-CE2 3.48Å; E66-F166 HydrophobicContact CG-CZ 3.49Å; E66-F166 VanDerWaalsContact CG-CZ 3.49Å; E66-F166 WeakPolarHBondContact OE1-CE2 3.44Å
67I98.6Very high97.5Very high4 Ų427.8 Ų27.82%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-102.6125.7172.4-56.5167.1000109.3L65 I122 V152 C165 F166 H167 W174 I184L65-I67 HydrophobicContact CD2-CG1 4.43Å; L65-I67 HydrophobicContact CG-CG1 4.28Å; I67-I122 HydrophobicContact CB-CD1 4.42Å; I67-I122 HydrophobicContact CB-CG1 4.17Å; I67-I122 HydrophobicContact CG1-CD1 4.13Å; I67-I122 HydrophobicContact CG1-CG1 4.03Å; I67-I122 HydrophobicContact CG2-CD1 3.9Å; I67-I122 HydrophobicContact CG2-CG1 4.03Å; I67-V152 HydrophobicContact CD1-CG2 3.82Å; I67-V152 HydrophobicContact CG2-CB 4.12Å; I67-C165 VanDerWaalsContact CD1-SG 3.59Å; I67-F166 PolarHBondContact N-O 2.96Å; I67-H167 HydrophobicContact CB-CB 4.03Å; I67-H167 WeakPolarHBondContact O-CB 3.41Å; I67-W174 HydrophobicContact CB-CZ2 4.42Å; I67-W174 HydrophobicContact CD1-CH2 4.21Å; I67-W174 HydrophobicContact CD1-CZ2 4.2Å; I67-W174 HydrophobicContact CG2-CZ2 3.79Å; I67-I184 HydrophobicContact CD1-CD1 3.4Å; I67-I184 HydrophobicContact CD1-CG1 3.72Å
68G97.7Very high97.6Very high23 Ų2324.1 Ų24.124%0.23714%0.142CC..SBendtrans7152.9-177.100000112.2G70 I122G68-G70 PolarHBondContact O-N 2.79Å; G68-G70 VanDerWaalsContact O-N 3.08Å; G68-I122 WeakPolarHBondContact CA-O 3.29Å; G68-I122 PolarHBondContact N-O 3.01Å
69F98Very high97.6Very high7 Ų723.9 Ų23.93%0.03114%0.141CC..  trans-66.6-10-172.961.9-109.2000114.8E66 Q71 G72 I75 G121 I122 E123 L129 A132 L147E66-F69 HydrophobicContact CB-CB 4.35Å; E66-F69 HydrophobicContact CG-CB 3.86Å; E66-F69 WeakPolarHBondContact OE2-CB 3.36Å; F69-Q71 PolarHBondContact O-N 3.01Å; F69-G72 PolarHBondContact O-N 3.39Å; F69-I75 HydrophobicContact CB-CD1 3.87Å; F69-I75 HydrophobicContact CB-CG1 3.74Å; F69-I75 HydrophobicContact CG-CD1 4.34Å; F69-I75 HydrophobicContact CG-CG1 4.14Å; F69-G121 VanDerWaalsContact CD1-C 3.42Å; F69-G121 WeakPolarHBondContact CE1-O 3.5Å; F69-I122 VanDerWaalsContact CD1-C 3.49Å; F69-I122 WeakPolarHBondContact CD1-O 3.38Å; F69-I122 VanDerWaalsContact CE1-C 3.49Å; F69-I122 PolarHBondContact N-O 3.18Å; F69-E123 HydrophobicContact CD1-CB 3.77Å; F69-E123 HydrophobicContact CD2-CB 4.2Å; F69-E123 HydrophobicContact CE1-CB 3.29Å; F69-E123 HydrophobicContact CE1-CG 4.49Å; F69-E123 HydrophobicContact CE2-CB 3.71Å; F69-E123 HydrophobicContact CE2-CG 4.11Å; F69-E123 HydrophobicContact CG-CB 4.2Å; F69-E123 HydrophobicContact CZ-CB 3.24Å; F69-E123 HydrophobicContact CZ-CG 4.06Å; F69-L129 HydrophobicContact CE2-CD1 4.48Å; F69-L129 HydrophobicContact CZ-CB 4.2Å; F69-L129 HydrophobicContact CZ-CD1 3.68Å; F69-A132 HydrophobicContact CD2-CB 3.69Å; F69-A132 HydrophobicContact CE2-CB 3.37Å; F69-A132 HydrophobicContact CZ-CB 4.4Å; F69-L147 HydrophobicContact CD1-CD2 4.22Å; F69-L147 HydrophobicContact CE1-CB 4.27Å; F69-L147 HydrophobicContact CE1-CD2 4.07Å; F69-L147 HydrophobicContact CZ-CB 4.2Å; F69-L147 HydrophobicContact CZ-CD2 4.33Å
70G96.6Very high97.5Very high14 Ų1422.3 Ų22.314%0.14414%0.135CC..THydrogen-bonded Turntrans56.7-123.1177.800000112.4G68 G72 E123 M128G68-G70 PolarHBondContact O-N 2.79Å; G68-G70 VanDerWaalsContact O-N 3.08Å; G70-G72 PolarHBondContact O-N 3.02Å; G70-E123 WeakPolarHBondContact CA-OE2 3.34Å; G70-E123 PolarHBondContact N-OE2 2.69Å; G70-M128 CarbonylContact O-C 3.38Å; G70-M128 WeakPolarHBondContact O-CB 3.34Å; G70-M128 VanDerWaalsContact O-O 3.09Å
71Q95.7Very high97.5Very high36 Ų3621 Ų2117%0.16812%0.119CC..THydrogen-bonded Turntrans-82.25.4179.567.3178.248.900114.3F69 D73 M128 K131 A132 K135F69-Q71 PolarHBondContact O-N 3.01Å; Q71-D73 VanDerWaalsContact NE2-CG 3.32Å; Q71-D73 PolarHBondContact NE2-OD1 3.1Å; Q71-D73 PolarHBondContact NE2-OD2 2.75Å; Q71-M128 HydrophobicContact CB-SD 4.49Å; Q71-K131 HydrophobicContact CB-CB 4.41Å; Q71-A132 WeakPolarHBondContact O-CA 3.4Å; Q71-K135 VanDerWaalsContact O-CD 3.3Å; Q71-K135 WeakPolarHBondContact O-CD 3.13Å
72G97.5Very high97.6Very high0 Ų019.2 Ų19.20%010%0.102CC..THydrogen-bonded Turntrans79.133.2177.600000114.5F69 G70 Q76 K135F69-G72 PolarHBondContact O-N 3.39Å; G70-G72 PolarHBondContact O-N 3.02Å; G72-Q76 WeakPolarHBondContact O-CB 3.03Å; G72-Q76 PolarHBondContact O-N 2.83Å; G72-K135 PolarHBondContact O-NZ 3.06Å
73D96.7Very high97.5Very high22 Ų2217.9 Ų17.912%0.1189%0.094CC..Hα-helixtrans-72.2-40169.5-70.7-28.2000111K46 Q71 Q76 L77 K135K46-D73 VanDerWaalsContact CE-OD2 3.26Å; K46-D73 WeakPolarHBondContact CE-OD2 3.19Å; K46-D73 HydrophobicContact CG-CB 4.43Å; K46-D73 WeakPolarHBondContact CG-OD2 3.41Å; Q71-D73 VanDerWaalsContact NE2-CG 3.32Å; Q71-D73 PolarHBondContact NE2-OD1 3.1Å; Q71-D73 PolarHBondContact NE2-OD2 2.75Å; D73-Q76 PolarHBondContact O-N 2.96Å; D73-L77 WeakPolarHBondContact O-CG 3.39Å; D73-L77 PolarHBondContact O-N 3.41Å; D73-L77 VanDerWaalsContact O-N 3.17Å; D73-K135 IonicContact OD1-NZ 2.78Å; D73-K135 PolarHBondContact OD1-NZ 2.96Å
74G98Very high97.4Very high1 Ų117.7 Ų17.71%0.0110%0.095CC..Hα-helixtrans-68.1-50177.700000112.8E66 Q76 L77 A78E66-G74 VanDerWaalsContact OE2-C 3.25Å; E66-G74 WeakPolarHBondContact OE2-CA 3.39Å; G74-Q76 PolarHBondContact O-N 3.05Å; G74-L77 PolarHBondContact O-N 2.91Å; G74-A78 WeakPolarHBondContact O-CB 3.46Å; G74-A78 PolarHBondContact O-N 3.49Å
75I98.3Very high97.1Very high0 Ų021.1 Ų21.10%011%0.113CC..Hα-helixtrans-50.1-46.2173.1-52.2-63.3000111.6E66 F69 L77 A78 V79 V119 L136 I145 L147E66-I75 HydrophobicContact CB-CD1 3.74Å; E66-I75 HydrophobicContact CG-CD1 4.45Å; E66-I75 WeakPolarHBondContact OE2-CD1 3.37Å; E66-I75 WeakPolarHBondContact OE2-CG1 3.42Å; E66-I75 PolarHBondContact OE2-N 2.9Å; F69-I75 HydrophobicContact CB-CD1 3.87Å; F69-I75 HydrophobicContact CB-CG1 3.74Å; F69-I75 HydrophobicContact CG-CD1 4.34Å; F69-I75 HydrophobicContact CG-CG1 4.14Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.27Å; I75-A78 PolarHBondContact O-N 3.4Å; I75-V79 WeakPolarHBondContact O-CG1 3.29Å; I75-V79 PolarHBondContact O-N 3.48Å; I75-V119 HydrophobicContact CB-CG1 4.34Å; I75-V119 HydrophobicContact CD1-CG1 3.65Å; I75-V119 HydrophobicContact CG2-CB 4.4Å; I75-V119 HydrophobicContact CG2-CG1 3.86Å; I75-L136 HydrophobicContact CB-CD1 3.73Å; I75-L136 HydrophobicContact CG1-CD1 4.46Å; I75-L136 HydrophobicContact CG2-CD1 3.59Å; I75-I145 HydrophobicContact CG2-CD1 3.83Å; I75-I145 HydrophobicContact CG2-CG1 4.09Å; I75-I145 HydrophobicContact CG2-CG2 3.6Å; I75-L147 HydrophobicContact CD1-CD2 3.95Å; I75-L147 HydrophobicContact CG1-CD2 3.84Å; I75-L147 HydrophobicContact CG2-CD2 4.14Å
76Q97.1Very high96.7Very high62 Ų6221.3 Ų21.329%0.2911%0.114SC..Hα-helixtrans-62.6-39.7179.6-166.3179.4-2.600112.3G72 D73 G74 V79 E80 L136G72-Q76 WeakPolarHBondContact O-CB 3.03Å; G72-Q76 PolarHBondContact O-N 2.83Å; D73-Q76 PolarHBondContact O-N 2.96Å; G74-Q76 PolarHBondContact O-N 3.05Å; Q76-V79 VanDerWaalsContact O-CG1 3.29Å; Q76-V79 WeakPolarHBondContact O-CG1 3.33Å; Q76-E80 WeakPolarHBondContact O-CG 3.38Å; Q76-L136 HydrophobicContact CB-CD2 3.84Å; Q76-L136 HydrophobicContact CG-CD2 4.04Å
77L96.7Very high96.4Very high35 Ų3521.3 Ų21.318%0.18311%0.114CC..Hα-helixtrans-72.5-46.6178.4-72172.6000110.4T49 A50 I53 D73 G74 I75 V79 E80 Y81 F243T49-L77 HydrophobicContact CG2-CD1 4.17Å; A50-L77 HydrophobicContact CB-CD1 4.15Å; I53-L77 HydrophobicContact CG1-CB 4.18Å; D73-L77 WeakPolarHBondContact O-CG 3.39Å; D73-L77 PolarHBondContact O-N 3.41Å; D73-L77 VanDerWaalsContact O-N 3.17Å; G74-L77 PolarHBondContact O-N 2.91Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.27Å; L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 2.85Å; L77-E80 WeakPolarHBondContact O-CB 3.49Å; L77-E80 PolarHBondContact O-N 3.42Å; L77-E80 VanDerWaalsContact O-N 3.11Å; L77-Y81 WeakPolarHBondContact O-CD2 3.45Å; L77-F243 HydrophobicContact CD2-CE2 4.4Å; L77-F243 HydrophobicContact CD2-CZ 4.23Å
78A98.3Very high96.1Very high0 Ų025.9 Ų25.90%014%0.139CC..Hα-helixtrans-55.5-44.4-179.700000112.4I53 L58 V64 G74 I75 E80 Y81 V82 V119 F166I53-A78 HydrophobicContact CD1-CB 3.72Å; L58-A78 HydrophobicContact CD1-CB 4.27Å; V64-A78 HydrophobicContact CG1-CB 4.06Å; G74-A78 WeakPolarHBondContact O-CB 3.46Å; G74-A78 PolarHBondContact O-N 3.49Å; I75-A78 PolarHBondContact O-N 3.4Å; A78-E80 PolarHBondContact O-N 3.48Å; A78-Y81 PolarHBondContact O-N 3.04Å; A78-V82 PolarHBondContact O-N 3.23Å; A78-V119 HydrophobicContact CB-CG1 3.94Å; A78-V119 HydrophobicContact CB-CG2 3.81Å; A78-F166 HydrophobicContact CB-CE1 4.49Å
79V97.2Very high95.7Very high1 Ų126.7 Ų26.71%0.00614%0.136CC..Hα-helixtrans-64.8-27.3-178.373.40000112.3I75 Q76 L77 Y81 A83 V87 V119 L139 C144 I145I75-V79 WeakPolarHBondContact O-CG1 3.29Å; I75-V79 PolarHBondContact O-N 3.48Å; Q76-V79 VanDerWaalsContact O-CG1 3.29Å; Q76-V79 WeakPolarHBondContact O-CG1 3.33Å; L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 2.85Å; V79-Y81 VanDerWaalsContact C-N 3.27Å; V79-Y81 PolarHBondContact O-N 2.82Å; V79-A83 HydrophobicContact CG2-CB 3.81Å; V79-A83 CarbonylContact O-C 3.59Å; V79-A83 WeakPolarHBondContact O-CA 3.25Å; V79-A83 PolarHBondContact O-N 2.98Å; V79-V87 HydrophobicContact CB-CG2 4.46Å; V79-V87 HydrophobicContact CG1-CG2 3.99Å; V79-V87 HydrophobicContact CG2-CG2 4.02Å; V79-V119 HydrophobicContact CB-CG2 3.87Å; V79-V119 HydrophobicContact CG2-CG2 4.39Å; V79-L139 HydrophobicContact CG1-CD1 3.94Å; V79-C144 HydrophobicContact CG2-CB 4.26Å; V79-C144 VanDerWaalsContact CG2-SG 3.6Å; V79-I145 HydrophobicContact CB-CD1 4.28Å; V79-I145 HydrophobicContact CB-CG1 4.34Å; V79-I145 HydrophobicContact CG1-CD1 4.3Å; V79-I145 HydrophobicContact CG2-CD1 4.16Å; V79-I145 HydrophobicContact CG2-CG1 4.01Å
80E96Very high95.2Very high72 Ų7227.3 Ų27.334%0.33614%0.138SC..Hα-helixtrans-67.7-28.7173.8-53.5-161.5145.600112.7Q76 L77 A78 V87 K91Q76-E80 WeakPolarHBondContact O-CG 3.38Å; L77-E80 WeakPolarHBondContact O-CB 3.49Å; L77-E80 PolarHBondContact O-N 3.42Å; L77-E80 VanDerWaalsContact O-N 3.11Å; A78-E80 PolarHBondContact O-N 3.48Å; E80-V87 HydrophobicContact CG-CG1 4.23Å; E80-K91 IonicContact OE1-NZ 2.69Å; E80-K91 PolarHBondContact OE1-NZ 3.29Å
81Y96.7Very high94.8Very high59 Ų5931.5 Ų31.523%0.23115%0.153CC..Hα-helixtrans-84.9-46.5178.1-74.2-105.1000111.5I53 D54 L58 K59 P60 L77 A78 V79 K242I53-Y81 HydrophobicContact CG2-CD2 3.84Å; I53-Y81 HydrophobicContact CG2-CE2 3.62Å; I53-Y81 HydrophobicContact CG2-CG 4.46Å; D54-Y81 PolarHBondContact OD1-OH 2.79Å; L58-Y81 HydrophobicContact CB-CD1 4.5Å; L58-Y81 HydrophobicContact CB-CG 4.42Å; K59-Y81 CarbonylContact C-O 3.49Å; P60-Y81 WeakPolarHBondContact CA-O 3.49Å; L77-Y81 WeakPolarHBondContact O-CD2 3.45Å; A78-Y81 PolarHBondContact O-N 3.04Å; V79-Y81 VanDerWaalsContact C-N 3.27Å; V79-Y81 PolarHBondContact O-N 2.82Å; Y81-K242 PolarHBondContact OH-NZ 2.94Å
82V97.9Very high94.5Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-87.4-29.6-171.6-52.80000113.2L58 P60 G61 D62 V64 A78 P84 G117 V119L58-V82 HydrophobicContact CB-CG1 4.05Å; L58-V82 HydrophobicContact CD1-CG1 4.08Å; L58-V82 HydrophobicContact CD2-CG1 4.46Å; L58-V82 HydrophobicContact CG-CG1 4.42Å; P60-V82 WeakPolarHBondContact CA-O 3.05Å; G61-V82 PolarHBondContact N-O 2.84Å; D62-V82 HydrophobicContact CB-CG1 3.96Å; D62-V82 WeakPolarHBondContact O-CB 3.34Å; V64-V82 HydrophobicContact CG1-CG1 3.93Å; V64-V82 HydrophobicContact CG1-CG2 4.3Å; A78-V82 PolarHBondContact O-N 3.23Å; V82-P84 WeakPolarHBondContact O-CD 3.19Å; V82-G117 PolarHBondContact O-N 3.05Å; V82-V119 HydrophobicContact CG2-CG2 3.5Å
83A96.6Very high94Very high0 Ų036.2 Ų36.20%019%0.19CC..  trans-126.155-176.400000113.4V79 I85 T86 V87 D116 C144V79-A83 HydrophobicContact CG2-CB 3.81Å; V79-A83 CarbonylContact O-C 3.59Å; V79-A83 WeakPolarHBondContact O-CA 3.25Å; V79-A83 PolarHBondContact O-N 2.98Å; A83-I85 VanDerWaalsContact C-N 3.27Å; A83-I85 PolarHBondContact O-N 2.72Å; A83-T86 PolarHBondContact O-N 3.2Å; A83-V87 WeakPolarHBondContact O-CG2 3.46Å; A83-V87 PolarHBondContact O-N 3.11Å; A83-V87 VanDerWaalsContact O-N 3.11Å; A83-D116 VanDerWaalsContact C-CG 3.48Å; A83-D116 VanDerWaalsContact CA-OD1 3.27Å; A83-D116 WeakPolarHBondContact CA-OD1 3.42Å; A83-D116 HydrophobicContact CB-CB 3.61Å; A83-C144 HydrophobicContact CB-CB 3.82Å
84P95.2Very high93.5Very high32 Ų3241.7 Ų41.721%0.20821%0.208CC..Hα-helixtrans-64.5-27.8-173.928.5-36.8000113.4P60 V82 N88 D116P60-P84 HydrophobicContact CB-CG 3.98Å; P60-P84 HydrophobicContact CG-CG 4Å; V82-P84 WeakPolarHBondContact O-CD 3.19Å; P84-N88 WeakPolarHBondContact O-CB 3.32Å; P84-N88 PolarHBondContact O-N 2.93Å; P84-N88 PolarHBondContact O-ND2 2.87Å; P84-N88 VanDerWaalsContact O-ND2 3.1Å; P84-D116 WeakPolarHBondContact CD-OD1 3.39Å
85I92.7Very high92.8Very high72 Ų7247.8 Ų47.837%0.36924%0.239SC..Hα-helixtrans-68.7-48.4-178.3-53.6174.2000109.4A83 N88 H89 F113 N115 D116A83-I85 VanDerWaalsContact C-N 3.27Å; A83-I85 PolarHBondContact O-N 2.72Å; I85-N88 PolarHBondContact O-N 2.83Å; I85-H89 WeakPolarHBondContact O-CB 3.34Å; I85-H89 PolarHBondContact O-N 2.78Å; I85-F113 HydrophobicContact CB-CD1 4.19Å; I85-F113 HydrophobicContact CG2-CD1 3.74Å; I85-F113 HydrophobicContact CG2-CE1 4.25Å; I85-N115 HydrophobicContact CD1-CB 4Å; I85-D116 WeakPolarHBondContact CB-OD1 3.35Å; I85-D116 WeakPolarHBondContact CG1-OD1 3.49Å; I85-D116 PolarHBondContact N-OD1 3.25Å
86T91.6Very high92.1Very high3 Ų353.2 Ų53.22%0.01826%0.263CS..Hα-helixtrans-59.6-48175.5-62.20000110.8A83 N88 H89 W90 F97 F113 D116 L139 T142A83-T86 PolarHBondContact O-N 3.2Å; T86-N88 PolarHBondContact O-N 3.08Å; T86-H89 PolarHBondContact O-N 3.27Å; T86-W90 WeakPolarHBondContact O-CB 3.46Å; T86-W90 PolarHBondContact O-N 3.32Å; T86-F97 HydrophobicContact CG2-CE2 4.02Å; T86-F97 HydrophobicContact CG2-CZ 4.04Å; T86-F113 WeakPolarHBondContact OG1-CD1 3.32Å; T86-F113 WeakPolarHBondContact OG1-CG 3.48Å; T86-D116 WeakPolarHBondContact CA-OD2 3.32Å; T86-D116 WeakPolarHBondContact CB-OD2 3.2Å; T86-D116 PolarHBondContact N-OD2 3.44Å; T86-D116 PolarHBondContact OG1-OD2 2.74Å; T86-L139 HydrophobicContact CG2-CD2 4.27Å; T86-T142 HydrophobicContact CG2-CG2 4.06Å
87V92.4Very high91.5Very high4 Ų450.2 Ų50.22%0.02425%0.249CC..Hα-helixtrans-64.4-41.3-179.1171.90000111.8V79 E80 A83 W90 K91V79-V87 HydrophobicContact CB-CG2 4.46Å; V79-V87 HydrophobicContact CG1-CG2 3.99Å; V79-V87 HydrophobicContact CG2-CG2 4.02Å; E80-V87 HydrophobicContact CG-CG1 4.23Å; A83-V87 WeakPolarHBondContact O-CG2 3.46Å; A83-V87 PolarHBondContact O-N 3.11Å; A83-V87 VanDerWaalsContact O-N 3.11Å; V87-W90 PolarHBondContact O-N 3.4Å; V87-K91 HydrophobicContact CG1-CD 3.93Å; V87-K91 HydrophobicContact CG1-CG 4.43Å; V87-K91 WeakPolarHBondContact O-CB 3.39Å; V87-K91 VanDerWaalsContact O-CG 3.32Å; V87-K91 WeakPolarHBondContact O-CG 3.4Å; V87-K91 PolarHBondContact O-N 3.4Å
88N91.8Very high90.8Very high100 Ų10051 Ų5154%0.53525%0.253SS..Hα-helixtrans-67.6-39.5177.5-72.8-24.8000111.8P84 I85 T86 K91 S92P84-N88 WeakPolarHBondContact O-CB 3.32Å; P84-N88 PolarHBondContact O-N 2.93Å; P84-N88 PolarHBondContact O-ND2 2.87Å; P84-N88 VanDerWaalsContact O-ND2 3.1Å; I85-N88 PolarHBondContact O-N 2.83Å; T86-N88 PolarHBondContact O-N 3.08Å; N88-K91 PolarHBondContact O-N 3.3Å; N88-S92 WeakPolarHBondContact O-CB 3.45Å; N88-S92 PolarHBondContact O-N 3.01Å; N88-S92 PolarHBondContact O-OG 3.49Å
89H88.3Confident89.9Confident40 Ų4055.7 Ų55.719%0.18528%0.278CS..Hα-helixtrans-63.5-41.1174.2-171.558.2000111.9I85 T86 S92 S93 F97 E100 K112 F113I85-H89 WeakPolarHBondContact O-CB 3.34Å; I85-H89 PolarHBondContact O-N 2.78Å; T86-H89 PolarHBondContact O-N 3.27Å; H89-S92 PolarHBondContact O-N 3.48Å; H89-S92 PolarHBondContact O-OG 3.34Å; H89-S93 PolarHBondContact O-N 2.92Å; H89-F97 AromaticContact CD2-CD2 3.53Å; H89-E100 IonicContact CD2-OE2 3.51Å; H89-E100 IonicContact CE1-OE2 3.3Å; H89-E100 IonicContact NE2-OE2 2.69Å; H89-E100 PolarHBondContact NE2-OE2 2.8Å; H89-K112 PolarHBondContact NE2-NZ 3.44Å; H89-F113 HydrophobicContact CB-CE1 4.05Å; H89-F113 HydrophobicContact CB-CZ 4.41Å; H89-F113 AromaticContact CD2-CZ 3.85Å
90W88Confident89.1Confident21 Ų2158.3 Ų58.38%0.0829%0.29CS..Hα-helixtrans-63.5-43.2173.9174.155000112.8T86 V87 R94 F97 P138 L139T86-W90 WeakPolarHBondContact O-CB 3.46Å; T86-W90 PolarHBondContact O-N 3.32Å; V87-W90 PolarHBondContact O-N 3.4Å; W90-R94 WeakPolarHBondContact O-CG 3.48Å; W90-R94 PolarHBondContact O-N 3.24Å; W90-F97 VanDerWaalsContact CA-CD2 3.44Å; W90-F97 HydrophobicContact CB-CD1 4.25Å; W90-F97 HydrophobicContact CB-CD2 3.67Å; W90-F97 HydrophobicContact CB-CE1 4.22Å; W90-F97 HydrophobicContact CB-CE2 3.67Å; W90-F97 HydrophobicContact CB-CG 3.97Å; W90-F97 HydrophobicContact CB-CZ 3.93Å; W90-F97 AromaticContact CD1-CD1 3.56Å; W90-F97 AromaticContact CD1-CE1 3.89Å; W90-F97 AromaticContact CD1-CG 3.83Å; W90-F97 HydrophobicContact CG-CD1 4.22Å; W90-F97 HydrophobicContact CG-CD2 4.46Å; W90-F97 HydrophobicContact CG-CE1 4.26Å; W90-F97 HydrophobicContact CG-CG 4.31Å; W90-F97 HydrophobicContact CG-CZ 4.4Å; W90-P138 HydrophobicContact CZ2-CB 4.4Å; W90-P138 HydrophobicContact CZ2-CG 4.15Å; W90-L139 HydrophobicContact CB-CD2 4.32Å; W90-L139 HydrophobicContact CD2-CD2 4.17Å; W90-L139 HydrophobicContact CE3-CD1 4.34Å; W90-L139 HydrophobicContact CE3-CD2 4.17Å; W90-L139 HydrophobicContact CE3-CG 4.44Å; W90-L139 HydrophobicContact CG-CD2 4.25Å; W90-L139 HydrophobicContact CZ3-CD1 4.2Å
91K89.2Confident88.1Confident102 Ų10255.4 Ų55.444%0.44328%0.277SS..Hα-helixtrans-68.3-34.6179.5-75.5175.5-179.1173.90112.2E80 V87 N88E80-K91 IonicContact OE1-NZ 2.69Å; E80-K91 PolarHBondContact OE1-NZ 3.29Å; V87-K91 HydrophobicContact CG1-CD 3.93Å; V87-K91 HydrophobicContact CG1-CG 4.43Å; V87-K91 WeakPolarHBondContact O-CB 3.39Å; V87-K91 VanDerWaalsContact O-CG 3.32Å; V87-K91 WeakPolarHBondContact O-CG 3.4Å; V87-K91 PolarHBondContact O-N 3.4Å; N88-K91 PolarHBondContact O-N 3.3Å
92S88.6Confident87Confident91 Ų9156.8 Ų56.864%0.63629%0.291SS*.Hα-helixtrans-73.9-34.5-178.6710000113.3N88 H89N88-S92 WeakPolarHBondContact O-CB 3.45Å; N88-S92 PolarHBondContact O-N 3.01Å; N88-S92 PolarHBondContact O-OG 3.49Å; H89-S92 PolarHBondContact O-N 3.48Å; H89-S92 PolarHBondContact O-OG 3.34Å
93S86.6Confident85.6Confident44 Ų4463.2 Ų63.231%0.30832%0.324SS..  trans-153.290.4175.3-168.10000112.9H89 I95 K96 F97H89-S93 PolarHBondContact O-N 2.92Å; S93-I95 PolarHBondContact O-N 2.91Å; S93-K96 PolarHBondContact O-N 3.19Å; S93-K96 WeakPolarHBondContact OG-CB 3.25Å; S93-F97 WeakPolarHBondContact O-CB 3.3Å; S93-F97 PolarHBondContact O-N 3.02Å
94R85.9Confident83.8Confident136 Ų13665 Ų6551%0.51334%0.336SS..Hα-helixtrans-57.9-43.5-179.1-75.6-175.8137.589.7-0.1113.8W90 I98W90-R94 WeakPolarHBondContact O-CG 3.48Å; W90-R94 PolarHBondContact O-N 3.24Å; R94-I98 WeakPolarHBondContact O-CD1 2.92Å; R94-I98 VanDerWaalsContact O-CG1 3.27Å; R94-I98 WeakPolarHBondContact O-CG1 3.36Å; R94-I98 PolarHBondContact O-N 2.86Å
95I84.8Confident81.9Confident129 Ų12968 Ų6866%0.66236%0.355SS*.Hα-helixtrans-67.8-49.3-177.6-62.9172.4000109.9S93 F97 I98 L99S93-I95 PolarHBondContact O-N 2.91Å; I95-F97 VanDerWaalsContact C-N 3.31Å; I95-F97 PolarHBondContact O-N 3.15Å; I95-I98 PolarHBondContact O-N 3Å; I95-L99 HydrophobicContact CG2-CD1 3.95Å; I95-L99 HydrophobicContact CG2-CG 4.45Å; I95-L99 WeakPolarHBondContact O-CG 3.35Å; I95-L99 PolarHBondContact O-N 2.9Å
96K82.9Confident80.2Confident114 Ų11468.8 Ų68.850%0.49637%0.366SS..Hα-helixtrans-59.8-43.5177.4-174.4175.5176.7174.80111.1S93 I98 L99 E100S93-K96 PolarHBondContact O-N 3.19Å; S93-K96 WeakPolarHBondContact OG-CB 3.25Å; K96-I98 VanDerWaalsContact C-N 3.35Å; K96-I98 PolarHBondContact O-N 2.98Å; K96-L99 PolarHBondContact O-N 3.09Å; K96-E100 WeakPolarHBondContact CE-OE1 3.33Å; K96-E100 HydrophobicContact CG-CG 4.26Å; K96-E100 WeakPolarHBondContact CG-OE1 3.19Å; K96-E100 WeakPolarHBondContact O-CB 3.47Å; K96-E100 VanDerWaalsContact O-CG 3.25Å; K96-E100 WeakPolarHBondContact O-CG 3.48Å; K96-E100 PolarHBondContact O-N 3.45Å
97F83.2Confident78.2Confident0 Ų073.8 Ų73.80%040%0.397CS..Hα-helixtrans-58-45176.3-176.1-85.6000112.3T86 H89 W90 S93 I95 N101 P138 L139 T142T86-F97 HydrophobicContact CG2-CE2 4.02Å; T86-F97 HydrophobicContact CG2-CZ 4.04Å; H89-F97 AromaticContact CD2-CD2 3.53Å; W90-F97 VanDerWaalsContact CA-CD2 3.44Å; W90-F97 HydrophobicContact CB-CD1 4.25Å; W90-F97 HydrophobicContact CB-CD2 3.67Å; W90-F97 HydrophobicContact CB-CE1 4.22Å; W90-F97 HydrophobicContact CB-CE2 3.67Å; W90-F97 HydrophobicContact CB-CG 3.97Å; W90-F97 HydrophobicContact CB-CZ 3.93Å; W90-F97 AromaticContact CD1-CD1 3.56Å; W90-F97 AromaticContact CD1-CE1 3.89Å; W90-F97 AromaticContact CD1-CG 3.83Å; W90-F97 HydrophobicContact CG-CD1 4.22Å; W90-F97 HydrophobicContact CG-CD2 4.46Å; W90-F97 HydrophobicContact CG-CE1 4.26Å; W90-F97 HydrophobicContact CG-CG 4.31Å; W90-F97 HydrophobicContact CG-CZ 4.4Å; S93-F97 WeakPolarHBondContact O-CB 3.3Å; S93-F97 PolarHBondContact O-N 3.02Å; I95-F97 VanDerWaalsContact C-N 3.31Å; I95-F97 PolarHBondContact O-N 3.15Å; F97-N101 WeakPolarHBondContact CD1-ND2 3.26Å; F97-N101 WeakPolarHBondContact CE1-ND2 3.48Å; F97-N101 WeakPolarHBondContact CE2-ND2 3.23Å; F97-N101 WeakPolarHBondContact CZ-ND2 3.49Å; F97-N101 WeakPolarHBondContact O-CB 3.36Å; F97-N101 PolarHBondContact O-N 2.98Å; F97-N101 VanDerWaalsContact O-N 3.08Å; F97-N101 PolarHBondContact O-ND2 3.04Å; F97-P138 HydrophobicContact CE1-CB 4.31Å; F97-P138 WeakPolarHBondContact CE1-O 3.5Å; F97-L139 HydrophobicContact CE1-CD2 4.49Å; F97-L139 HydrophobicContact CZ-CD2 4.07Å; F97-T142 HydrophobicContact CE1-CG2 4.01Å; F97-T142 HydrophobicContact CE2-CG2 4.08Å; F97-T142 HydrophobicContact CZ-CG2 3.34Å
98I82.3Confident76.2Confident52 Ų5279.2 Ų79.227%0.26743%0.425SS..Hα-helixtrans-64.8-48.1177.8-70.5163.5000110.4R94 I95 K96 E100 N101 V102 W137R94-I98 WeakPolarHBondContact O-CD1 2.92Å; R94-I98 VanDerWaalsContact O-CG1 3.27Å; R94-I98 WeakPolarHBondContact O-CG1 3.36Å; R94-I98 PolarHBondContact O-N 2.86Å; I95-I98 PolarHBondContact O-N 3Å; K96-I98 VanDerWaalsContact C-N 3.35Å; K96-I98 PolarHBondContact O-N 2.98Å; I98-E100 VanDerWaalsContact C-N 3.35Å; I98-E100 PolarHBondContact O-N 3.03Å; I98-N101 PolarHBondContact O-N 3.32Å; I98-V102 HydrophobicContact CG2-CG2 3.97Å; I98-V102 VanDerWaalsContact O-CB 3.27Å; I98-V102 WeakPolarHBondContact O-CB 3.14Å; I98-V102 WeakPolarHBondContact O-CG2 3.42Å; I98-V102 PolarHBondContact O-N 3.42Å; I98-W137 HydrophobicContact CD1-CH2 4.05Å; I98-W137 HydrophobicContact CD1-CZ2 3.75Å; I98-W137 HydrophobicContact CG1-CH2 3.98Å; I98-W137 HydrophobicContact CG1-CZ2 4.12Å; I98-W137 HydrophobicContact CG2-CH2 3.73Å; I98-W137 HydrophobicContact CG2-CZ2 4.49Å
99L80.4Confident74.5Confident98 Ų9875.3 Ų75.351%0.51340%0.403SS..Hα-helixtrans-60.8-44.4-179.3-70.3172000111.8I95 K96 I103I95-L99 HydrophobicContact CG2-CD1 3.95Å; I95-L99 HydrophobicContact CG2-CG 4.45Å; I95-L99 WeakPolarHBondContact O-CG 3.35Å; I95-L99 PolarHBondContact O-N 2.9Å; K96-L99 PolarHBondContact O-N 3.09Å; L99-I103 HydrophobicContact CD2-CD1 4.44Å; L99-I103 WeakPolarHBondContact O-CB 3.4Å; L99-I103 WeakPolarHBondContact O-CD1 3.47Å; L99-I103 VanDerWaalsContact O-CG1 3.25Å; L99-I103 WeakPolarHBondContact O-CG1 3.33Å; L99-I103 PolarHBondContact O-N 3.11Å
100E80Confident73Confident55 Ų5577 Ų7726%0.25742%0.419SS..Hα-helixtrans-61.2-49.7177.9-73.9174.9170.300111.1H89 K96 I98 S104 K112H89-E100 IonicContact CD2-OE2 3.51Å; H89-E100 IonicContact CE1-OE2 3.3Å; H89-E100 IonicContact NE2-OE2 2.69Å; H89-E100 PolarHBondContact NE2-OE2 2.8Å; K96-E100 WeakPolarHBondContact CE-OE1 3.33Å; K96-E100 HydrophobicContact CG-CG 4.26Å; K96-E100 WeakPolarHBondContact CG-OE1 3.19Å; K96-E100 WeakPolarHBondContact O-CB 3.47Å; K96-E100 VanDerWaalsContact O-CG 3.25Å; K96-E100 WeakPolarHBondContact O-CG 3.48Å; K96-E100 PolarHBondContact O-N 3.45Å; I98-E100 VanDerWaalsContact C-N 3.35Å; I98-E100 PolarHBondContact O-N 3.03Å; E100-S104 WeakPolarHBondContact O-CB 3.39Å; E100-S104 PolarHBondContact O-N 3.22Å; E100-S104 PolarHBondContact O-OG 3.43Å; E100-K112 IonicContact OE1-NZ 3.63Å; E100-K112 IonicContact OE2-NZ 2.66Å; E100-K112 PolarHBondContact OE2-NZ 3.22Å
101N75.3Confident71.8Confident12 Ų1282 Ų826%0.06445%0.447CS..Hα-helixtrans-84.9-16.1-171.7-64.3-55.2000114.9F97 I98 Q109 K141 T142F97-N101 WeakPolarHBondContact CD1-ND2 3.26Å; F97-N101 WeakPolarHBondContact CE1-ND2 3.48Å; F97-N101 WeakPolarHBondContact CE2-ND2 3.23Å; F97-N101 WeakPolarHBondContact CZ-ND2 3.49Å; F97-N101 WeakPolarHBondContact O-CB 3.36Å; F97-N101 PolarHBondContact O-N 2.98Å; F97-N101 VanDerWaalsContact O-N 3.08Å; F97-N101 PolarHBondContact O-ND2 3.04Å; I98-N101 PolarHBondContact O-N 3.32Å; N101-Q109 PolarHBondContact OD1-NE2 2.89Å; N101-K141 HydrophobicContact CB-CB 4.2Å; N101-T142 HydrophobicContact CB-CG2 4.43Å
102V74.2Confident70.8Confident88 Ų8881.5 Ų81.553%0.53345%0.445SS..Hα-helixtrans-83.4-32.5172.6172.60000111.3I98I98-V102 HydrophobicContact CG2-CG2 3.97Å; I98-V102 VanDerWaalsContact O-CB 3.27Å; I98-V102 WeakPolarHBondContact O-CB 3.14Å; I98-V102 WeakPolarHBondContact O-CG2 3.42Å; I98-V102 PolarHBondContact O-N 3.42Å
103I67.3Low70.3Confident134 Ų13478.3 Ų78.369%0.68742%0.42SS*.Hα-helixtrans-94.8-31.6-175-58.1170.1000111.7L99L99-I103 HydrophobicContact CD2-CD1 4.44Å; L99-I103 WeakPolarHBondContact O-CB 3.4Å; L99-I103 WeakPolarHBondContact O-CD1 3.47Å; L99-I103 VanDerWaalsContact O-CG1 3.25Å; L99-I103 WeakPolarHBondContact O-CG1 3.33Å; L99-I103 PolarHBondContact O-N 3.11Å
104S59.9Low69.8Low38 Ų3883.7 Ų83.727%0.26644%0.438SS..SBendtrans-69.8134.8-176.263.70000112.7E100 Q109E100-S104 WeakPolarHBondContact O-CB 3.39Å; E100-S104 PolarHBondContact O-N 3.22Å; E100-S104 PolarHBondContact O-OG 3.43Å; S104-Q109 PolarHBondContact OG-NE2 3.29Å
105T54.1Low69.9Low96 Ų9682.6 Ų82.659%0.58944%0.442SS*.  trans-65.8148.4163.751.60000110.5T107 I108T105-T107 PolarHBondContact O-N 3.37Å; T105-I108 PolarHBondContact O-N 3.33Å
106S57.1Low70.3Confident87 Ų8777.7 Ų77.761%0.60842%0.417SS*.Hα-helixtrans-51.4-32-172.2510000114.5I108 Q109S106-I108 VanDerWaalsContact C-N 3.32Å; S106-I108 PolarHBondContact O-N 3.17Å; S106-Q109 PolarHBondContact O-N 2.93Å
107T49.6Very low71Confident109 Ų10972.5 Ų72.567%0.66940%0.397SS*.Hα-helixtrans-61-34.8-175.6-41.70000113.7T105 S110T105-T107 PolarHBondContact O-N 3.37Å; T107-S110 PolarHBondContact O-OG 2.91Å
108I50.5Low71.6Confident118 Ų11874 Ų7461%0.60540%0.403SS*.Hα-helixtrans-75.2-26.7-176.4-60.7174.5000111.8T105 S106T105-I108 PolarHBondContact O-N 3.33Å; S106-I108 VanDerWaalsContact C-N 3.32Å; S106-I108 PolarHBondContact O-N 3.17Å
109Q56.6Low72.4Confident17 Ų1771.5 Ų71.58%0.07939%0.391CS..Hα-helixtrans-71.2-39.8-176.4-73.7-174.2-3.900112.7N101 S104 S106 N111 K112 K141N101-Q109 PolarHBondContact OD1-NE2 2.89Å; S104-Q109 PolarHBondContact OG-NE2 3.29Å; S106-Q109 PolarHBondContact O-N 2.93Å; Q109-N111 VanDerWaalsContact C-N 3.28Å; Q109-N111 PolarHBondContact O-N 2.9Å; Q109-N111 VanDerWaalsContact O-N 3.12Å; Q109-K112 PolarHBondContact O-N 2.84Å; Q109-K141 PolarHBondContact NE2-O 2.99Å
110S56.5Low73.2Confident75 Ų7569.1 Ų69.152%0.52438%0.375SS..Hα-helixtrans-55-36.2-171.864.60000114.7T107T107-S110 PolarHBondContact O-OG 2.91Å
111N62.6Low74.1Confident126 Ų12666.5 Ų66.567%0.67436%0.363SS*.Hα-helixtrans-85.5-24.5179.9-106.4-9.7000113.6Q109 F113Q109-N111 VanDerWaalsContact C-N 3.28Å; Q109-N111 PolarHBondContact O-N 2.9Å; Q109-N111 VanDerWaalsContact O-N 3.12Å; N111-F113 VanDerWaalsContact C-N 3.28Å; N111-F113 PolarHBondContact O-N 3.3Å
112K69Low75.2Confident93 Ų9366 Ų6640%0.40436%0.36SS..Hα-helixtrans-68.1-30.2-173.8-170.2173-178.9170.60112.3H89 E100 Q109H89-K112 PolarHBondContact NE2-NZ 3.44Å; E100-K112 IonicContact OE1-NZ 3.63Å; E100-K112 IonicContact OE2-NZ 2.66Å; E100-K112 PolarHBondContact OE2-NZ 3.22Å; Q109-K112 PolarHBondContact O-N 2.84Å
113F77.2Confident76.3Confident23 Ų2362.5 Ų62.510%0.10134%0.338CS..THydrogen-bonded Turntrans-123.633-174.5-54.5-61.8000112.2I85 T86 H89 N111 N115 D116I85-F113 HydrophobicContact CB-CD1 4.19Å; I85-F113 HydrophobicContact CG2-CD1 3.74Å; I85-F113 HydrophobicContact CG2-CE1 4.25Å; T86-F113 WeakPolarHBondContact OG1-CD1 3.32Å; T86-F113 WeakPolarHBondContact OG1-CG 3.48Å; H89-F113 HydrophobicContact CB-CE1 4.05Å; H89-F113 HydrophobicContact CB-CZ 4.41Å; H89-F113 AromaticContact CD2-CZ 3.85Å; N111-F113 VanDerWaalsContact C-N 3.28Å; N111-F113 PolarHBondContact O-N 3.3Å; F113-N115 PolarHBondContact O-N 3.04Å; F113-D116 HydrophobicContact CB-CB 4.27Å; F113-D116 WeakPolarHBondContact O-CB 3.29Å; F113-D116 PolarHBondContact O-N 2.72Å
114K75.7Confident77.7Confident158 Ų15859.1 Ų59.169%0.68732%0.321SS*.THydrogen-bonded Turntrans-48.8-27.8-170-175.1176.1178.2-179.10116.5
115N87.9Confident79.5Confident112 Ų11257.3 Ų57.360%0.59931%0.308SS*.THydrogen-bonded Turntrans-101.63-178.1-62.3-23.6000113.7G61 I85 F113G61-N115 WeakPolarHBondContact CA-O 3.49Å; G61-N115 PolarHBondContact N-O 3.45Å; I85-N115 HydrophobicContact CD1-CB 4Å; F113-N115 PolarHBondContact O-N 3.04Å
116D94.9Very high81.6Confident26 Ų2656.7 Ų56.714%0.13930%0.298CS..  trans-79.5145.2172.5-75.4-14000110.2A83 P84 I85 T86 F113A83-D116 VanDerWaalsContact C-CG 3.48Å; A83-D116 VanDerWaalsContact CA-OD1 3.27Å; A83-D116 WeakPolarHBondContact CA-OD1 3.42Å; A83-D116 HydrophobicContact CB-CB 3.61Å; P84-D116 WeakPolarHBondContact CD-OD1 3.39Å; I85-D116 WeakPolarHBondContact CB-OD1 3.35Å; I85-D116 WeakPolarHBondContact CG1-OD1 3.49Å; I85-D116 PolarHBondContact N-OD1 3.25Å; T86-D116 WeakPolarHBondContact CA-OD2 3.32Å; T86-D116 WeakPolarHBondContact CB-OD2 3.2Å; T86-D116 PolarHBondContact N-OD2 3.44Å; T86-D116 PolarHBondContact OG1-OD2 2.74Å; F113-D116 HydrophobicContact CB-CB 4.27Å; F113-D116 WeakPolarHBondContact O-CB 3.29Å; F113-D116 PolarHBondContact O-N 2.72Å
117G96Very high83.6Confident6 Ų654.2 Ų54.26%0.06228%0.276CS..  trans-90.6-170171.900000111.6D62 V82D62-G117 VanDerWaalsContact O-CA 3.32Å; D62-G117 WeakPolarHBondContact O-CA 3.37Å; V82-G117 PolarHBondContact O-N 3.05Å
118H96.9Very high85.9Confident31 Ų3149.1 Ų49.114%0.14425%0.245CC..EExtended strand (participates in β ladder)trans-129.4136-174.5-158.3104000111.8D62 N63 V64 Y120 D143 D146D62-H118 PolarHBondContact O-N 2.69Å; D62-H118 VanDerWaalsContact O-N 3.16Å; N63-H118 CarbonylContact C-O 3.58Å; N63-H118 WeakPolarHBondContact CA-O 3.37Å; N63-H118 WeakPolarHBondContact OD1-CB 3.48Å; V64-H118 PolarHBondContact N-O 3.29Å; H118-Y120 HydrophobicContact CB-CD2 4.49Å; H118-Y120 HydrophobicContact CB-CE2 3.76Å; H118-Y120 AromaticContact CD2-CD1 3.7Å; H118-Y120 AromaticContact CD2-CD2 3.82Å; H118-Y120 AromaticContact CD2-CE1 3.49Å; H118-Y120 VanDerWaalsContact CD2-CE1 3.49Å; H118-Y120 WeakPolarHBondContact CD2-CE1 3.45Å; H118-Y120 AromaticContact CD2-CE2 3.6Å; H118-Y120 AromaticContact CD2-CG 3.87Å; H118-Y120 AromaticContact CD2-CZ 3.43Å; H118-Y120 VanDerWaalsContact CD2-CZ 3.43Å; H118-Y120 AromaticContact CG-CE2 3.88Å; H118-Y120 AromaticContact CG-CZ 3.71Å; H118-Y120 AromaticContact NE2-CE1 3.8Å; H118-D143 PolarHBondContact CE1-O 3.16Å; H118-D143 VanDerWaalsContact CE1-O 3.29Å; H118-D143 PolarHBondContact ND1-O 2.99Å; H118-D146 VanDerWaalsContact NE2-CB 3.34Å; H118-D146 WeakPolarHBondContact NE2-CB 3.27Å; H118-D146 PolarHBondContact NE2-N 3.41Å
119V98.4Very high88.2Confident0 Ų045 Ų450%022%0.224CC..EExtended strand (participates in β ladder)trans-103.2110.2172-172.30000109.7V64 I75 A78 V79 V82 C144 I145 D146V64-V119 HydrophobicContact CG1-CB 4.14Å; V64-V119 HydrophobicContact CG1-CG1 4.06Å; V64-V119 HydrophobicContact CG1-CG2 3.76Å; V64-V119 WeakPolarHBondContact O-CA 3.38Å; I75-V119 HydrophobicContact CB-CG1 4.34Å; I75-V119 HydrophobicContact CD1-CG1 3.65Å; I75-V119 HydrophobicContact CG2-CB 4.4Å; I75-V119 HydrophobicContact CG2-CG1 3.86Å; A78-V119 HydrophobicContact CB-CG1 3.94Å; A78-V119 HydrophobicContact CB-CG2 3.81Å; V79-V119 HydrophobicContact CB-CG2 3.87Å; V79-V119 HydrophobicContact CG2-CG2 4.39Å; V82-V119 HydrophobicContact CG2-CG2 3.5Å; V119-C144 PolarHBondContact N-O 3.46Å; V119-I145 HydrophobicContact CB-CG1 4.44Å; V119-I145 VanDerWaalsContact O-CA 3.32Å; V119-I145 WeakPolarHBondContact O-CA 3.46Å; V119-D146 PolarHBondContact O-N 2.93Å
120Y98Very high90.1Very high47 Ų4748.9 Ų48.918%0.18424%0.242CC..EExtended strand (participates in β ladder)trans-90137.3170.2-57.4-86.5000109N63 V64 L65 E66 H118 D146 Y157 I162N63-Y120 HydrophobicContact CB-CE2 4.1Å; V64-Y120 PolarHBondContact O-N 2.86Å; L65-Y120 CarbonylContact C-O 3.59Å; L65-Y120 WeakPolarHBondContact CA-O 3.35Å; E66-Y120 PolarHBondContact N-O 2.94Å; H118-Y120 HydrophobicContact CB-CD2 4.49Å; H118-Y120 HydrophobicContact CB-CE2 3.76Å; H118-Y120 AromaticContact CD2-CD1 3.7Å; H118-Y120 AromaticContact CD2-CD2 3.82Å; H118-Y120 AromaticContact CD2-CE1 3.49Å; H118-Y120 VanDerWaalsContact CD2-CE1 3.49Å; H118-Y120 WeakPolarHBondContact CD2-CE1 3.45Å; H118-Y120 AromaticContact CD2-CE2 3.6Å; H118-Y120 AromaticContact CD2-CG 3.87Å; H118-Y120 AromaticContact CD2-CZ 3.43Å; H118-Y120 VanDerWaalsContact CD2-CZ 3.43Å; H118-Y120 AromaticContact CG-CE2 3.88Å; H118-Y120 AromaticContact CG-CZ 3.71Å; H118-Y120 AromaticContact NE2-CE1 3.8Å; Y120-D146 CarbonylContact C-O 3.15Å; Y120-D146 HydrophobicContact CD1-CB 4.02Å; Y120-D146 HydrophobicContact CE1-CB 4.47Å; Y120-Y157 HydrophobicContact CD1-CD1 4Å; Y120-Y157 AromaticContact CD1-CE1 3.39Å; Y120-Y157 HydrophobicContact CD1-CE1 3.39Å; Y120-Y157 HydrophobicContact CE1-CD1 4.22Å; Y120-Y157 AromaticContact CE1-CE1 3.99Å; Y120-Y157 HydrophobicContact CE1-CE1 3.99Å; Y120-Y157 HydrophobicContact CG-CD1 4.43Å; Y120-Y157 AromaticContact CG-CE1 3.88Å; Y120-Y157 HydrophobicContact CG-CE1 3.88Å; Y120-I162 HydrophobicContact CD2-CD1 3.67Å; Y120-I162 HydrophobicContact CE2-CD1 3.89Å; Y120-I162 HydrophobicContact CG-CD1 4.49Å
121G98.2Very high92.1Very high0 Ų047.4 Ų47.40%023%0.226CC..EExtended strand (participates in β ladder)trans-132128176.700000110.5E66 F69 D146 L147 Q148E66-G121 WeakPolarHBondContact O-CA 3.29Å; F69-G121 VanDerWaalsContact CD1-C 3.42Å; F69-G121 WeakPolarHBondContact CE1-O 3.5Å; G121-D146 PolarHBondContact N-O 3.37Å; G121-L147 WeakPolarHBondContact O-CA 3.4Å; G121-Q148 PolarHBondContact O-N 2.95Å
122I98.2Very high93.8Very high2 Ų241.4 Ų41.41%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-112.8142.7167.264.8157.2000111.5L65 E66 I67 G68 F69 Q148 R150 V152 L155 Y157L65-I122 HydrophobicContact CD1-CG2 4.45Å; E66-I122 PolarHBondContact O-N 2.93Å; I67-I122 HydrophobicContact CB-CD1 4.42Å; I67-I122 HydrophobicContact CB-CG1 4.17Å; I67-I122 HydrophobicContact CG1-CD1 4.13Å; I67-I122 HydrophobicContact CG1-CG1 4.03Å; I67-I122 HydrophobicContact CG2-CD1 3.9Å; I67-I122 HydrophobicContact CG2-CG1 4.03Å; G68-I122 WeakPolarHBondContact CA-O 3.29Å; G68-I122 PolarHBondContact N-O 3.01Å; F69-I122 VanDerWaalsContact CD1-C 3.49Å; F69-I122 WeakPolarHBondContact CD1-O 3.38Å; F69-I122 VanDerWaalsContact CE1-C 3.49Å; F69-I122 PolarHBondContact N-O 3.18Å; I122-Q148 WeakPolarHBondContact CA-O 2.91Å; I122-Q148 HydrophobicContact CG2-CB 4.49Å; I122-R150 HydrophobicContact CB-CB 4.16Å; I122-R150 HydrophobicContact CG2-CB 4.06Å; I122-V152 HydrophobicContact CD1-CB 4.09Å; I122-L155 HydrophobicContact CD1-CD2 3.56Å; I122-L155 HydrophobicContact CG1-CD2 4.43Å; I122-L155 HydrophobicContact CG2-CD2 4.48Å; I122-Y157 WeakPolarHBondContact CG2-OH 3Å
123E97.9Very high95.1Very high14 Ų1439 Ų397%0.06519%0.189CC..EExtended strand (participates in β ladder)trans-145.5142.217817453.7-109.600109.6F69 G70 S125 M128 Q148 L149 R150F69-E123 HydrophobicContact CD1-CB 3.77Å; F69-E123 HydrophobicContact CD2-CB 4.2Å; F69-E123 HydrophobicContact CE1-CB 3.29Å; F69-E123 HydrophobicContact CE1-CG 4.49Å; F69-E123 HydrophobicContact CE2-CB 3.71Å; F69-E123 HydrophobicContact CE2-CG 4.11Å; F69-E123 HydrophobicContact CG-CB 4.2Å; F69-E123 HydrophobicContact CZ-CB 3.24Å; F69-E123 HydrophobicContact CZ-CG 4.06Å; G70-E123 WeakPolarHBondContact CA-OE2 3.34Å; G70-E123 PolarHBondContact N-OE2 2.69Å; E123-S125 WeakPolarHBondContact CG-O 3.4Å; E123-S125 WeakPolarHBondContact OE1-CB 3.25Å; E123-S125 PolarHBondContact OE1-N 3.34Å; E123-M128 HydrophobicContact CG-CB 3.68Å; E123-Q148 PolarHBondContact N-O 2.87Å; E123-L149 CarbonylContact O-C 3.41Å; E123-L149 VanDerWaalsContact O-CA 3.25Å; E123-L149 WeakPolarHBondContact O-CA 3.46Å; E123-L149 WeakPolarHBondContact O-CD1 3.48Å; E123-R150 CarbonylContact C-O 3.51Å; E123-R150 PolarHBondContact O-N 2.83Å
124I97.3Very high96Very high64 Ų6446.2 Ų46.233%0.32822%0.215SC..SBendtrans-91.3-18.2179.159.9168000112.6K26 R150K26-I124 HydrophobicContact CB-CD1 4.2Å; K26-I124 HydrophobicContact CD-CD1 4.47Å; K26-I124 HydrophobicContact CD-CG1 4.5Å; K26-I124 WeakPolarHBondContact CE-O 3.44Å; K26-I124 HydrophobicContact CG-CD1 4.38Å; K26-I124 HydrophobicContact CG-CG1 4.39Å; K26-I124 PolarHBondContact NZ-O 3.27Å; I124-R150 WeakPolarHBondContact CG2-O 3.42Å
125S98Very high96.9Very high0 Ų042.3 Ų42.30%020%0.198CC..  trans-92.3116.9178.9167.50000112P27 E123 Y127 M128 L129P27-S125 WeakPolarHBondContact O-CB 3.37Å; P27-S125 PolarHBondContact O-OG 2.92Å; E123-S125 WeakPolarHBondContact CG-O 3.4Å; E123-S125 WeakPolarHBondContact OE1-CB 3.25Å; E123-S125 PolarHBondContact OE1-N 3.34Å; S125-Y127 PolarHBondContact O-N 3.31Å; S125-Y127 PolarHBondContact OG-N 3.02Å; S125-M128 PolarHBondContact O-N 2.99Å; S125-M128 VanDerWaalsContact O-N 3.15Å; S125-M128 PolarHBondContact OG-N 3.28Å; S125-L129 PolarHBondContact O-N 3.19Å
126E98.2Very high97.3Very high82 Ų8237.2 Ų37.238%0.38317%0.171SC..Hα-helixtrans-58.6-37.5173.3-60.375-16700110.9K26 Q130 L149K26-E126 WeakPolarHBondContact CE-OE2 3.41Å; K26-E126 VanDerWaalsContact NZ-CD 3.33Å; K26-E126 IonicContact NZ-OE1 2.87Å; K26-E126 PolarHBondContact NZ-OE1 2.9Å; K26-E126 IonicContact NZ-OE2 3.63Å; K26-E126 PolarHBondContact NZ-OE2 3.25Å; E126-Q130 WeakPolarHBondContact O-CB 3.42Å; E126-Q130 VanDerWaalsContact O-CG 3.26Å; E126-Q130 WeakPolarHBondContact O-CG 3.36Å; E126-Q130 PolarHBondContact O-N 3.34Å; E126-L149 HydrophobicContact CB-CD1 4.44Å; E126-L149 HydrophobicContact CG-CD1 3.86Å; E126-L149 HydrophobicContact CG-CD2 3.7Å; E126-L149 HydrophobicContact CG-CG 4.46Å
127Y98Very high97.1Very high36 Ų3641.2 Ų41.214%0.14118%0.184CC..Hα-helixtrans-63.3-43.5177.2169.7-111.7000112.4P27 T28 Q38 S125 K131P27-Y127 HydrophobicContact CB-CD1 4.22Å; T28-Y127 VanDerWaalsContact O-CD1 3.23Å; T28-Y127 WeakPolarHBondContact O-CD1 3.34Å; T28-Y127 WeakPolarHBondContact O-CE1 3.43Å; Q38-Y127 PolarHBondContact NE2-OH 3.45Å; S125-Y127 PolarHBondContact O-N 3.31Å; S125-Y127 PolarHBondContact OG-N 3.02Å; Y127-K131 HydrophobicContact CE1-CD 3.9Å; Y127-K131 HydrophobicContact CE2-CD 3.99Å; Y127-K131 HydrophobicContact CE2-CG 4.37Å; Y127-K131 WeakPolarHBondContact O-CG 3.43Å; Y127-K131 PolarHBondContact O-N 3.23Å; Y127-K131 WeakPolarHBondContact OH-CE 3.42Å; Y127-K131 PolarHBondContact OH-NZ 3.08Å
128M97.9Very high96.7Very high2 Ų241.5 Ų41.51%0.0119%0.185CC..Hα-helixtrans-70.5-43.4178.3-75.2-57.1-178.300111.7P27 Y37 G70 Q71 E123 S125 Q130 K131 A132P27-M128 HydrophobicContact CB-CE 3.5Å; P27-M128 VanDerWaalsContact CB-CE 3.5Å; P27-M128 HydrophobicContact CB-CG 4.11Å; P27-M128 HydrophobicContact CG-CE 3.63Å; P27-M128 HydrophobicContact CG-CG 4.16Å; Y37-M128 HydrophobicContact CD1-CE 3.62Å; Y37-M128 HydrophobicContact CD2-CE 3.8Å; Y37-M128 HydrophobicContact CE1-CE 4.24Å; Y37-M128 HydrophobicContact CE2-CE 4.44Å; Y37-M128 HydrophobicContact CG-CE 3.36Å; G70-M128 CarbonylContact O-C 3.38Å; G70-M128 WeakPolarHBondContact O-CB 3.34Å; G70-M128 VanDerWaalsContact O-O 3.09Å; Q71-M128 HydrophobicContact CB-SD 4.49Å; E123-M128 HydrophobicContact CG-CB 3.68Å; S125-M128 PolarHBondContact O-N 2.99Å; S125-M128 VanDerWaalsContact O-N 3.15Å; S125-M128 PolarHBondContact OG-N 3.28Å; M128-Q130 VanDerWaalsContact C-N 3.33Å; M128-Q130 PolarHBondContact O-N 3.04Å; M128-K131 WeakPolarHBondContact O-CB 3.46Å; M128-K131 PolarHBondContact O-N 2.78Å; M128-K131 VanDerWaalsContact O-N 3.08Å; M128-K131 HydrophobicContact SD-CD 4.45Å; M128-A132 PolarHBondContact O-N 2.99Å
129L98.2Very high96.3Very high32 Ų3240 Ų4017%0.16818%0.178CC..Hα-helixtrans-54.6-47172.3173.963.1000112.1F69 S125 K131 A132 S133 L147 L149F69-L129 HydrophobicContact CE2-CD1 4.48Å; F69-L129 HydrophobicContact CZ-CB 4.2Å; F69-L129 HydrophobicContact CZ-CD1 3.68Å; S125-L129 PolarHBondContact O-N 3.19Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.86Å; L129-A132 PolarHBondContact O-N 2.77Å; L129-S133 VanDerWaalsContact O-CB 3.26Å; L129-S133 WeakPolarHBondContact O-CB 3.2Å; L129-S133 PolarHBondContact O-N 3.18Å; L129-S133 PolarHBondContact O-OG 2.87Å; L129-L147 HydrophobicContact CD1-CB 3.73Å; L129-L149 HydrophobicContact CD2-CB 3.7Å
130Q97.8Very high95.7Very high97 Ų9742.5 Ų42.545%0.45319%0.193SC..Hα-helixtrans-60.7-40.3177.4-75.1175.42900112.1E126 M128 R134E126-Q130 WeakPolarHBondContact O-CB 3.42Å; E126-Q130 VanDerWaalsContact O-CG 3.26Å; E126-Q130 WeakPolarHBondContact O-CG 3.36Å; E126-Q130 PolarHBondContact O-N 3.34Å; M128-Q130 VanDerWaalsContact C-N 3.33Å; M128-Q130 PolarHBondContact O-N 3.04Å; Q130-R134 WeakPolarHBondContact O-CB 3.49Å; Q130-R134 VanDerWaalsContact O-CG 3.26Å; Q130-R134 WeakPolarHBondContact O-CG 3.41Å; Q130-R134 PolarHBondContact O-N 3.31Å
131K97.4Very high95Very high44 Ų4445.3 Ų45.319%0.19121%0.207CC..Hα-helixtrans-66.5-47.8177.7-78.6-177.1131.4-174.20112.4Q38 Q71 Y127 M128 L129 S133 R134 K135Q38-K131 VanDerWaalsContact CD-NZ 3.28Å; Q71-K131 HydrophobicContact CB-CB 4.41Å; Y127-K131 HydrophobicContact CE1-CD 3.9Å; Y127-K131 HydrophobicContact CE2-CD 3.99Å; Y127-K131 HydrophobicContact CE2-CG 4.37Å; Y127-K131 WeakPolarHBondContact O-CG 3.43Å; Y127-K131 PolarHBondContact O-N 3.23Å; Y127-K131 WeakPolarHBondContact OH-CE 3.42Å; Y127-K131 PolarHBondContact OH-NZ 3.08Å; M128-K131 WeakPolarHBondContact O-CB 3.46Å; M128-K131 PolarHBondContact O-N 2.78Å; M128-K131 VanDerWaalsContact O-N 3.08Å; M128-K131 HydrophobicContact SD-CD 4.45Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.86Å; K131-S133 VanDerWaalsContact C-N 3.34Å; K131-R134 PolarHBondContact O-N 3.37Å; K131-K135 VanDerWaalsContact O-CB 3.28Å; K131-K135 WeakPolarHBondContact O-CB 3.41Å; K131-K135 PolarHBondContact O-N 3.31Å
132A97.9Very high94.3Very high0 Ų045.6 Ų45.60%021%0.208CC..Hα-helixtrans-60.7-46.5177.300000110.7F69 Q71 M128 L129 R134 K135 L136 L147F69-A132 HydrophobicContact CD2-CB 3.69Å; F69-A132 HydrophobicContact CE2-CB 3.37Å; F69-A132 HydrophobicContact CZ-CB 4.4Å; Q71-A132 WeakPolarHBondContact O-CA 3.4Å; M128-A132 PolarHBondContact O-N 2.99Å; L129-A132 PolarHBondContact O-N 2.77Å; A132-R134 VanDerWaalsContact C-N 3.35Å; A132-R134 PolarHBondContact O-N 3.44Å; A132-K135 PolarHBondContact O-N 3.02Å; A132-K135 VanDerWaalsContact O-N 3.16Å; A132-L136 VanDerWaalsContact O-CB 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.49Å; A132-L136 WeakPolarHBondContact O-CG 3.37Å; A132-L136 PolarHBondContact O-N 3.21Å; A132-L147 HydrophobicContact CB-CD1 3.95Å
133S96.8Very high93.6Very high42 Ų4250.3 Ų50.329%0.29423%0.233SC..Hα-helixtrans-59.9-42.6178.7-57.70000112.1L129 K131 W137L129-S133 VanDerWaalsContact O-CB 3.26Å; L129-S133 WeakPolarHBondContact O-CB 3.2Å; L129-S133 PolarHBondContact O-N 3.18Å; L129-S133 PolarHBondContact O-OG 2.87Å; K131-S133 VanDerWaalsContact C-N 3.34Å; S133-W137 WeakPolarHBondContact O-CA 3.38Å; S133-W137 VanDerWaalsContact O-CB 3.24Å; S133-W137 WeakPolarHBondContact O-CB 3.4Å; S133-W137 PolarHBondContact O-N 3.43Å
134R96.2Very high93.3Very high176 Ų17649.7 Ų49.766%0.66423%0.231SC*.Hα-helixtrans-66.2-43174.9-73.7174.4-171.5160.27.3112.2Q130 K131 A132 L136Q130-R134 WeakPolarHBondContact O-CB 3.49Å; Q130-R134 VanDerWaalsContact O-CG 3.26Å; Q130-R134 WeakPolarHBondContact O-CG 3.41Å; Q130-R134 PolarHBondContact O-N 3.31Å; K131-R134 PolarHBondContact O-N 3.37Å; A132-R134 VanDerWaalsContact C-N 3.35Å; A132-R134 PolarHBondContact O-N 3.44Å; R134-L136 VanDerWaalsContact C-N 3.34Å
135K95.5Very high93.2Very high75 Ų7547.2 Ų47.233%0.32622%0.218SC..Hα-helixtrans-64.3-40.7-179.3-177-169.6173.2-153.90111.6Q71 G72 D73 K131 A132Q71-K135 VanDerWaalsContact O-CD 3.3Å; Q71-K135 WeakPolarHBondContact O-CD 3.13Å; G72-K135 PolarHBondContact O-NZ 3.06Å; D73-K135 IonicContact OD1-NZ 2.78Å; D73-K135 PolarHBondContact OD1-NZ 2.96Å; K131-K135 VanDerWaalsContact O-CB 3.28Å; K131-K135 WeakPolarHBondContact O-CB 3.41Å; K131-K135 PolarHBondContact O-N 3.31Å; A132-K135 PolarHBondContact O-N 3.02Å; A132-K135 VanDerWaalsContact O-N 3.16Å
136L95.1Very high93.1Very high5 Ų549.6 Ų49.63%0.02623%0.231CC..THydrogen-bonded Turntrans-102.38.8-172.6-59.2173.4000112.8I75 Q76 A132 R134 P138 L139 T140 L147I75-L136 HydrophobicContact CB-CD1 3.73Å; I75-L136 HydrophobicContact CG1-CD1 4.46Å; I75-L136 HydrophobicContact CG2-CD1 3.59Å; Q76-L136 HydrophobicContact CB-CD2 3.84Å; Q76-L136 HydrophobicContact CG-CD2 4.04Å; A132-L136 VanDerWaalsContact O-CB 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.49Å; A132-L136 WeakPolarHBondContact O-CG 3.37Å; A132-L136 PolarHBondContact O-N 3.21Å; R134-L136 VanDerWaalsContact C-N 3.34Å; L136-P138 VanDerWaalsContact C-N 3.27Å; L136-P138 WeakPolarHBondContact O-CD 3.2Å; L136-L139 WeakPolarHBondContact O-CA 3.35Å; L136-L139 PolarHBondContact O-N 3.12Å; L136-T140 HydrophobicContact CB-CG2 4.31Å; L136-T140 PolarHBondContact O-N 3.03Å; L136-L147 HydrophobicContact CD1-CD1 4.34Å
137W91.5Very high93.1Very high110 Ų11047 Ų4742%0.41722%0.219SC..THydrogen-bonded Turntrans-48.8-38.5-169.293.7-96.8000114.5I98 S133 L139 T140 K141I98-W137 HydrophobicContact CD1-CH2 4.05Å; I98-W137 HydrophobicContact CD1-CZ2 3.75Å; I98-W137 HydrophobicContact CG1-CH2 3.98Å; I98-W137 HydrophobicContact CG1-CZ2 4.12Å; I98-W137 HydrophobicContact CG2-CH2 3.73Å; I98-W137 HydrophobicContact CG2-CZ2 4.49Å; S133-W137 WeakPolarHBondContact O-CA 3.38Å; S133-W137 VanDerWaalsContact O-CB 3.24Å; S133-W137 WeakPolarHBondContact O-CB 3.4Å; S133-W137 PolarHBondContact O-N 3.43Å; W137-L139 VanDerWaalsContact C-N 3.32Å; W137-L139 PolarHBondContact O-N 3.39Å; W137-T140 WeakPolarHBondContact CA-OG1 3.19Å; W137-T140 PolarHBondContact O-N 2.77Å; W137-T140 PolarHBondContact O-OG1 2.86Å; W137-K141 HydrophobicContact CE3-CG 4.34Å; W137-K141 HydrophobicContact CZ3-CG 4.36Å
138P87.1Confident93Very high12 Ų1247.3 Ų47.38%0.07822%0.222CC..THydrogen-bonded Turntrans-63.7-40.3178.9-20.735.7000111.6W90 F97 L136 K141W90-P138 HydrophobicContact CZ2-CB 4.4Å; W90-P138 HydrophobicContact CZ2-CG 4.15Å; F97-P138 HydrophobicContact CE1-CB 4.31Å; F97-P138 WeakPolarHBondContact CE1-O 3.5Å; L136-P138 VanDerWaalsContact C-N 3.27Å; L136-P138 WeakPolarHBondContact O-CD 3.2Å; P138-K141 PolarHBondContact O-N 2.87Å
139L89Confident93Very high1 Ų151.1 Ų51.11%0.00524%0.242CC..G310 helixtrans-79.3-22.4-179-60.4175.4000112.4V79 T86 W90 F97 L136 W137 K141 T142 I145V79-L139 HydrophobicContact CG1-CD1 3.94Å; T86-L139 HydrophobicContact CG2-CD2 4.27Å; W90-L139 HydrophobicContact CB-CD2 4.32Å; W90-L139 HydrophobicContact CD2-CD2 4.17Å; W90-L139 HydrophobicContact CE3-CD1 4.34Å; W90-L139 HydrophobicContact CE3-CD2 4.17Å; W90-L139 HydrophobicContact CE3-CG 4.44Å; W90-L139 HydrophobicContact CG-CD2 4.25Å; W90-L139 HydrophobicContact CZ3-CD1 4.2Å; F97-L139 HydrophobicContact CE1-CD2 4.49Å; F97-L139 HydrophobicContact CZ-CD2 4.07Å; L136-L139 WeakPolarHBondContact O-CA 3.35Å; L136-L139 PolarHBondContact O-N 3.12Å; W137-L139 VanDerWaalsContact C-N 3.32Å; W137-L139 PolarHBondContact O-N 3.39Å; L139-K141 PolarHBondContact O-N 3.41Å; L139-T142 PolarHBondContact O-N 3.41Å; L139-T142 VanDerWaalsContact O-N 3.11Å; L139-T142 PolarHBondContact O-OG1 3.36Å; L139-I145 HydrophobicContact CB-CD1 3.51Å; L139-I145 HydrophobicContact CB-CG1 4.46Å; L139-I145 HydrophobicContact CD1-CD1 3.97Å; L139-I145 HydrophobicContact CG-CD1 4.39Å
140T86.1Confident92.9Very high51 Ų5153.1 Ų53.131%0.31325%0.247SC..G310 helixtrans-67.7-9.5170.366.30000113.4L136 W137 T142 L147L136-T140 HydrophobicContact CB-CG2 4.31Å; L136-T140 PolarHBondContact O-N 3.03Å; W137-T140 WeakPolarHBondContact CA-OG1 3.19Å; W137-T140 PolarHBondContact O-N 2.77Å; W137-T140 PolarHBondContact O-OG1 2.86Å; T140-T142 VanDerWaalsContact C-N 3.35Å; T140-L147 HydrophobicContact CG2-CD1 4.46Å
141K82.9Confident92.8Very high107 Ų10750.4 Ų50.447%0.46524%0.239SC..G310 helixtrans-93.84.8173.9-58.4-56.2-177.4-177.10113.2N101 Q109 W137 P138 L139N101-K141 HydrophobicContact CB-CB 4.2Å; Q109-K141 PolarHBondContact NE2-O 2.99Å; W137-K141 HydrophobicContact CE3-CG 4.34Å; W137-K141 HydrophobicContact CZ3-CG 4.36Å; P138-K141 PolarHBondContact O-N 2.87Å; L139-K141 PolarHBondContact O-N 3.41Å
142T83.6Confident92.7Very high6 Ų648.5 Ų48.54%0.03723%0.231CC..THydrogen-bonded Turntrans-118.7157.9173.853.90000110.3T86 F97 N101 L139 T140 C144T86-T142 HydrophobicContact CG2-CG2 4.06Å; F97-T142 HydrophobicContact CE1-CG2 4.01Å; F97-T142 HydrophobicContact CE2-CG2 4.08Å; F97-T142 HydrophobicContact CZ-CG2 3.34Å; N101-T142 HydrophobicContact CB-CG2 4.43Å; L139-T142 PolarHBondContact O-N 3.41Å; L139-T142 VanDerWaalsContact O-N 3.11Å; L139-T142 PolarHBondContact O-OG1 3.36Å; T140-T142 VanDerWaalsContact C-N 3.35Å; T142-C144 PolarHBondContact O-N 3.3Å; T142-C144 PolarHBondContact OG1-SG 3.47Å
143D83.2Confident92.5Very high100 Ų10050.6 Ų50.654%0.53524%0.241SC..THydrogen-bonded Turntrans-76.731178.5-63.5-30.1000113.9H118H118-D143 PolarHBondContact CE1-O 3.16Å; H118-D143 VanDerWaalsContact CE1-O 3.29Å; H118-D143 PolarHBondContact ND1-O 2.99Å
144C92.4Very high92.2Very high2 Ų253.5 Ų53.51%0.01425%0.25CC..THydrogen-bonded Turntrans-112.8-9.3179.171.90000114.4V79 A83 V119 T142V79-C144 HydrophobicContact CG2-CB 4.26Å; V79-C144 VanDerWaalsContact CG2-SG 3.6Å; A83-C144 HydrophobicContact CB-CB 3.82Å; V119-C144 PolarHBondContact N-O 3.46Å; T142-C144 PolarHBondContact O-N 3.3Å; T142-C144 PolarHBondContact OG1-SG 3.47Å
145I95.4Very high92.1Very high11 Ų1145.3 Ų45.36%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-135.7132.1177.4-59174.6000109.9I75 V79 V119 L139 L147I75-I145 HydrophobicContact CG2-CD1 3.83Å; I75-I145 HydrophobicContact CG2-CG1 4.09Å; I75-I145 HydrophobicContact CG2-CG2 3.6Å; V79-I145 HydrophobicContact CB-CD1 4.28Å; V79-I145 HydrophobicContact CB-CG1 4.34Å; V79-I145 HydrophobicContact CG1-CD1 4.3Å; V79-I145 HydrophobicContact CG2-CD1 4.16Å; V79-I145 HydrophobicContact CG2-CG1 4.01Å; V119-I145 HydrophobicContact CB-CG1 4.44Å; V119-I145 VanDerWaalsContact O-CA 3.32Å; V119-I145 WeakPolarHBondContact O-CA 3.46Å; L139-I145 HydrophobicContact CB-CD1 3.51Å; L139-I145 HydrophobicContact CB-CG1 4.46Å; L139-I145 HydrophobicContact CD1-CD1 3.97Å; L139-I145 HydrophobicContact CG-CD1 4.39Å; I145-L147 HydrophobicContact CG2-CD1 4.49Å; I145-L147 HydrophobicContact CG2-CD2 3.72Å; I145-L147 HydrophobicContact CG2-CG 3.8Å
146D95.3Very high91.9Very high51 Ų5147 Ų4727%0.27323%0.232SC..EExtended strand (participates in β ladder)trans-125.9118.8169177.114.7000109.9H118 V119 Y120 G121 Q148H118-D146 VanDerWaalsContact NE2-CB 3.34Å; H118-D146 WeakPolarHBondContact NE2-CB 3.27Å; H118-D146 PolarHBondContact NE2-N 3.41Å; V119-D146 PolarHBondContact O-N 2.93Å; Y120-D146 CarbonylContact C-O 3.15Å; Y120-D146 HydrophobicContact CD1-CB 4.02Å; Y120-D146 HydrophobicContact CE1-CB 4.47Å; G121-D146 PolarHBondContact N-O 3.37Å; D146-Q148 WeakPolarHBondContact OD1-CG 3.01Å; D146-Q148 PolarHBondContact OD2-NE2 2.81Å
147L97.3Very high92Very high27 Ų2747.5 Ų47.514%0.14123%0.233CC..EExtended strand (participates in β ladder)trans-113.7119.6-179.4-56.7-177.2000110.3F69 I75 G121 L129 A132 L136 T140 I145F69-L147 HydrophobicContact CD1-CD2 4.22Å; F69-L147 HydrophobicContact CE1-CB 4.27Å; F69-L147 HydrophobicContact CE1-CD2 4.07Å; F69-L147 HydrophobicContact CZ-CB 4.2Å; F69-L147 HydrophobicContact CZ-CD2 4.33Å; I75-L147 HydrophobicContact CD1-CD2 3.95Å; I75-L147 HydrophobicContact CG1-CD2 3.84Å; I75-L147 HydrophobicContact CG2-CD2 4.14Å; G121-L147 WeakPolarHBondContact O-CA 3.4Å; L129-L147 HydrophobicContact CD1-CB 3.73Å; A132-L147 HydrophobicContact CB-CD1 3.95Å; L136-L147 HydrophobicContact CD1-CD1 4.34Å; T140-L147 HydrophobicContact CG2-CD1 4.46Å; I145-L147 HydrophobicContact CG2-CD1 4.49Å; I145-L147 HydrophobicContact CG2-CD2 3.72Å; I145-L147 HydrophobicContact CG2-CG 3.8Å
148Q97.1Very high92.2Very high43 Ų4346.4 Ų46.420%0.20124%0.24CC..EExtended strand (participates in β ladder)trans-122.9138-175.9-55.9-169.711.600112.5G121 I122 E123 D146 R150G121-Q148 PolarHBondContact O-N 2.95Å; I122-Q148 WeakPolarHBondContact CA-O 2.91Å; I122-Q148 HydrophobicContact CG2-CB 4.49Å; E123-Q148 PolarHBondContact N-O 2.87Å; D146-Q148 WeakPolarHBondContact OD1-CG 3.01Å; D146-Q148 PolarHBondContact OD2-NE2 2.81Å; Q148-R150 HydrophobicContact CB-CB 4.38Å; Q148-R150 PolarHBondContact O-N 3.47Å; Q148-R150 VanDerWaalsContact OE1-NH2 3.08Å
149L97.8Very high92.7Very high81 Ų8150 Ų5042%0.42426%0.264SS..EExtended strand (participates in β ladder)trans-74.599.7165.8-174.871.7000108.6E123 E126 L129E123-L149 CarbonylContact O-C 3.41Å; E123-L149 VanDerWaalsContact O-CA 3.25Å; E123-L149 WeakPolarHBondContact O-CA 3.46Å; E123-L149 WeakPolarHBondContact O-CD1 3.48Å; E126-L149 HydrophobicContact CB-CD1 4.44Å; E126-L149 HydrophobicContact CG-CD1 3.86Å; E126-L149 HydrophobicContact CG-CD2 3.7Å; E126-L149 HydrophobicContact CG-CG 4.46Å; L129-L149 HydrophobicContact CD2-CB 3.7Å
150R96.2Very high93.1Very high74 Ų7452.2 Ų52.228%0.27928%0.279SS..  trans-158.8150.8-171.4-159.5172.3-69.9-95.311.7112.4I122 E123 I124 Q148 H154 D156I122-R150 HydrophobicContact CB-CB 4.16Å; I122-R150 HydrophobicContact CG2-CB 4.06Å; E123-R150 CarbonylContact C-O 3.51Å; E123-R150 PolarHBondContact O-N 2.83Å; I124-R150 WeakPolarHBondContact CG2-O 3.42Å; Q148-R150 HydrophobicContact CB-CB 4.38Å; Q148-R150 PolarHBondContact O-N 3.47Å; Q148-R150 VanDerWaalsContact OE1-NH2 3.08Å; R150-H154 WeakPolarHBondContact CD-O 3.23Å; R150-H154 HydrophobicContact CG-CB 4.26Å; R150-H154 VanDerWaalsContact CG-O 3.29Å; R150-H154 WeakPolarHBondContact CG-O 3.4Å; R150-D156 IonicContact CZ-OD2 2.67Å; R150-D156 VanDerWaalsContact CZ-OD2 3.3Å; R150-D156 IonicContact NH1-OD2 2.97Å; R150-D156 PolarHBondContact NH1-OD2 3.03Å; R150-D156 IonicContact NH2-OD2 2.86Å
151S95.5Very high93.7Very high41 Ų4150.7 Ų50.729%0.28727%0.271SS..  trans-90.8147.8169173.30000110.7H153 H154S151-H153 PolarHBondContact O-N 3.43Å; S151-H153 PolarHBondContact OG-N 3.39Å; S151-H154 CarbonylContact O-C 3.39Å; S151-H154 PolarHBondContact O-N 2.9Å; S151-H154 VanDerWaalsContact O-O 3.05Å
152V94.9Very high94.4Very high4 Ų445.6 Ų45.62%0.02425%0.249CC..THydrogen-bonded Turntrans-55.2-19172.660.20000113.5I67 I122 H154 L155 W174 C180 I184I67-V152 HydrophobicContact CD1-CG2 3.82Å; I67-V152 HydrophobicContact CG2-CB 4.12Å; I122-V152 HydrophobicContact CD1-CB 4.09Å; V152-H154 PolarHBondContact O-N 2.86Å; V152-L155 HydrophobicContact CG2-CD1 4.46Å; V152-W174 HydrophobicContact CG1-CD2 3.91Å; V152-W174 HydrophobicContact CG1-CG 4.04Å; V152-W174 HydrophobicContact CG1-CZ2 4.46Å; V152-W174 HydrophobicContact CG2-CH2 4.37Å; V152-W174 HydrophobicContact CG2-CZ2 4.35Å; V152-C180 HydrophobicContact CB-CB 4.47Å; V152-C180 HydrophobicContact CG1-CB 3.78Å; V152-C180 WeakPolarHBondContact CG1-SG 3.34Å; V152-C180 HydrophobicContact CG2-CB 3.86Å; V152-I184 HydrophobicContact CG2-CD1 3.99Å; V152-I184 HydrophobicContact CG2-CG1 4.06Å
153H92.8Very high95.2Very high44 Ų4447 Ų4720%0.20426%0.256CS..THydrogen-bonded Turntrans-58.2-26.8171.3-78.6-146.1000113.4S151 Y179 C180 K183S151-H153 PolarHBondContact O-N 3.43Å; S151-H153 PolarHBondContact OG-N 3.39Å; H153-Y179 HydrophobicContact CB-CD1 4.46Å; H153-Y179 HydrophobicContact CB-CE1 3.95Å; H153-Y179 AromaticContact CG-CD1 3.98Å; H153-Y179 AromaticContact CG-CE1 3.88Å; H153-Y179 AromaticContact ND1-CE1 3.97Å; H153-C180 PolarHBondContact CD2-SG 3.22Å; H153-K183 WeakPolarHBondContact O-CE 3.26Å
154H90.7Very high95.9Very high103 Ų10342.4 Ų42.448%0.47723%0.232SC..  trans-126.3100.8-177.9-58-75000107.6R150 S151 V152R150-H154 WeakPolarHBondContact CD-O 3.23Å; R150-H154 HydrophobicContact CG-CB 4.26Å; R150-H154 VanDerWaalsContact CG-O 3.29Å; R150-H154 WeakPolarHBondContact CG-O 3.4Å; S151-H154 CarbonylContact O-C 3.39Å; S151-H154 PolarHBondContact O-N 2.9Å; S151-H154 VanDerWaalsContact O-O 3.05Å; V152-H154 PolarHBondContact O-N 2.86Å
155L95.1Very high96.2Very high4 Ų442.3 Ų42.32%0.02123%0.231CC..  trans-113.598.8170.9-62.5-177.8000106.2L65 I122 V152 Y157 K183 I184 R186 V187L65-L155 HydrophobicContact CD2-CD1 4.07Å; L65-L155 HydrophobicContact CD2-CD2 4.2Å; I122-L155 HydrophobicContact CD1-CD2 3.56Å; I122-L155 HydrophobicContact CG1-CD2 4.43Å; I122-L155 HydrophobicContact CG2-CD2 4.48Å; V152-L155 HydrophobicContact CG2-CD1 4.46Å; L155-Y157 HydrophobicContact CB-CD2 3.99Å; L155-Y157 HydrophobicContact CB-CE2 4.35Å; L155-Y157 HydrophobicContact CD2-CE2 4.12Å; L155-Y157 PolarHBondContact O-N 3.32Å; L155-K183 HydrophobicContact CD1-CB 3.96Å; L155-K183 HydrophobicContact CG-CB 4.21Å; L155-I184 HydrophobicContact CD1-CG1 3.96Å; L155-R186 PolarHBondContact O-NH2 3.07Å; L155-V187 HydrophobicContact CB-CG1 4.16Å; L155-V187 HydrophobicContact CD1-CG2 4.14Å
156D91.5Very high96.4Very high111 Ų11141.8 Ų41.859%0.59423%0.229SC*.  trans-85.333.5-174.8-60.3-22.3000111.8R150R150-D156 IonicContact CZ-OD2 2.67Å; R150-D156 VanDerWaalsContact CZ-OD2 3.3Å; R150-D156 IonicContact NH1-OD2 2.97Å; R150-D156 PolarHBondContact NH1-OD2 3.03Å; R150-D156 IonicContact NH2-OD2 2.86Å
157Y96.4Very high96.5Very high15 Ų1539.4 Ų39.46%0.05922%0.216CC..SBendtrans-91.3149175.5-50-63.3000110.5L65 Y120 I122 L155 R186 V187L65-Y157 HydrophobicContact CD1-CE2 3.7Å; L65-Y157 HydrophobicContact CD2-CD2 4.17Å; L65-Y157 HydrophobicContact CD2-CE2 3.93Å; L65-Y157 HydrophobicContact CG-CE2 4.45Å; Y120-Y157 HydrophobicContact CD1-CD1 4Å; Y120-Y157 AromaticContact CD1-CE1 3.39Å; Y120-Y157 HydrophobicContact CD1-CE1 3.39Å; Y120-Y157 HydrophobicContact CE1-CD1 4.22Å; Y120-Y157 AromaticContact CE1-CE1 3.99Å; Y120-Y157 HydrophobicContact CE1-CE1 3.99Å; Y120-Y157 HydrophobicContact CG-CD1 4.43Å; Y120-Y157 AromaticContact CG-CE1 3.88Å; Y120-Y157 HydrophobicContact CG-CE1 3.88Å; I122-Y157 WeakPolarHBondContact CG2-OH 3Å; L155-Y157 HydrophobicContact CB-CD2 3.99Å; L155-Y157 HydrophobicContact CB-CE2 4.35Å; L155-Y157 HydrophobicContact CD2-CE2 4.12Å; L155-Y157 PolarHBondContact O-N 3.32Å; Y157-R186 VanDerWaalsContact O-CZ 3.32Å; Y157-R186 PolarHBondContact O-NH1 3.38Å; Y157-R186 PolarHBondContact O-NH2 2.97Å; Y157-V187 HydrophobicContact CD2-CG1 4.43Å
158P97.1Very high96.6Very high86 Ų8638.9 Ų38.956%0.55821%0.214SC*.PPolyproline II helixtrans-56.3151.6174.3-22.833000111.9S161P158-S161 WeakPolarHBondContact O-CB 3.22Å; P158-S161 PolarHBondContact O-OG 2.82Å
159P97.5Very high96.6Very high88 Ų8838.1 Ų38.157%0.57121%0.211SC*.THydrogen-bonded Turntrans-61.2144.6173.127.8-33.8000110.3S161 R186P159-S161 PolarHBondContact O-N 3.47Å; P159-R186 VanDerWaalsContact CA-O 3.32Å; P159-R186 WeakPolarHBondContact CA-O 3.48Å; P159-R186 HydrophobicContact CB-CG 4.34Å
160S97.4Very high96.5Very high47 Ų4735.2 Ų35.233%0.32920%0.197SC..THydrogen-bonded Turntrans52.838.3178-56.90000114.5R186 V187 L188 R189S160-R186 PolarHBondContact N-O 2.86Å; S160-V187 CarbonylContact C-O 3.56Å; S160-V187 WeakPolarHBondContact CA-O 3.38Å; S160-V187 PolarHBondContact N-O 2.85Å; S160-L188 WeakPolarHBondContact CA-O 3.5Å; S160-R189 WeakPolarHBondContact O-CG 3.25Å; S160-R189 PolarHBondContact O-NE 2.69Å
161S97.8Very high96.6Very high20 Ų2031.8 Ų31.814%0.1418%0.184CC..  trans-103.3-16.5179.870.30000114.2N63 P158 P159 V187N63-S161 WeakPolarHBondContact CB-O 3.36Å; N63-S161 PolarHBondContact ND2-O 3.18Å; P158-S161 WeakPolarHBondContact O-CB 3.22Å; P158-S161 PolarHBondContact O-OG 2.82Å; P159-S161 PolarHBondContact O-N 3.47Å; S161-V187 PolarHBondContact N-O 3.45Å
162I98.5Very high96.7Very high0 Ų030.3 Ų30.30%017%0.173CC..EExtended strand (participates in β ladder)trans-105.1127.3-174.7-56.8-57.7000110N63 L65 Y120 A164 V187 L188 R189N63-I162 HydrophobicContact CB-CD1 4.21Å; L65-I162 HydrophobicContact CB-CD1 4.41Å; L65-I162 HydrophobicContact CB-CG1 4.43Å; L65-I162 HydrophobicContact CB-CG2 3.92Å; Y120-I162 HydrophobicContact CD2-CD1 3.67Å; Y120-I162 HydrophobicContact CE2-CD1 3.89Å; Y120-I162 HydrophobicContact CG-CD1 4.49Å; I162-A164 WeakPolarHBondContact CG2-O 3.38Å; I162-V187 HydrophobicContact CG1-CB 4.07Å; I162-V187 HydrophobicContact CG1-CG2 4.09Å; I162-V187 PolarHBondContact N-O 3.07Å; I162-L188 HydrophobicContact CB-CD2 4.37Å; I162-L188 HydrophobicContact CG2-CD2 4.04Å; I162-L188 CarbonylContact O-C 3.54Å; I162-L188 WeakPolarHBondContact O-CA 3.07Å; I162-R189 PolarHBondContact O-N 3.08Å
163N98.5Very high96.8Very high35 Ų3531.4 Ų31.419%0.18718%0.177CC..EExtended strand (participates in β ladder)trans-75.3-43.9177.5-61.963.6000110.9D62 N63 R189 G192 R193D62-N163 HydrophobicContact CB-CB 3.99Å; D62-N163 VanDerWaalsContact OD1-CG 3.3Å; D62-N163 PolarHBondContact OD1-ND2 2.74Å; N63-N163 PolarHBondContact N-OD1 2.7Å; N63-N163 WeakPolarHBondContact O-CB 3.32Å; N63-N163 PolarHBondContact O-N 3.01Å; N163-R189 PolarHBondContact ND2-NH1 3.01Å; N163-R189 PolarHBondContact OD1-NH1 3.41Å; N163-G192 WeakPolarHBondContact O-CA 3.26Å; N163-R193 PolarHBondContact O-N 3.46Å
164A98.8Very high97Very high4 Ų430.6 Ų30.63%0.03317%0.172CC..EExtended strand (participates in β ladder)trans-143.3145.5177.800000111.6C56 L58 N63 V64 L65 I162 R193C56-A164 HydrophobicContact CB-CB 4.2Å; L58-A164 HydrophobicContact CD2-CB 3.77Å; N63-A164 PolarHBondContact O-N 2.94Å; V64-A164 CarbonylContact C-O 3.53Å; V64-A164 VanDerWaalsContact CA-O 3.25Å; V64-A164 WeakPolarHBondContact CA-O 3.19Å; V64-A164 HydrophobicContact CG2-CB 4.45Å; V64-A164 WeakPolarHBondContact CG2-O 3.42Å; L65-A164 PolarHBondContact N-O 3.4Å; I162-A164 WeakPolarHBondContact CG2-O 3.38Å; A164-R193 CarbonylContact C-O 3.53Å; A164-R193 WeakPolarHBondContact CA-O 3.41Å; A164-R193 HydrophobicContact CB-CB 4.42Å
165C98.8Very high97Very high0 Ų030.9 Ų30.90%018%0.183CC..EExtended strand (participates in β ladder)trans-123.2140172.5-179.90000108.8L65 I67 I184 L188 R193 L194 V195L65-C165 HydrophobicContact CB-CB 4.33Å; L65-C165 CarbonylContact O-C 3.59Å; L65-C165 VanDerWaalsContact O-CA 3.23Å; L65-C165 WeakPolarHBondContact O-CA 3.25Å; L65-C165 PolarHBondContact O-SG 3.28Å; L65-C165 VanDerWaalsContact O-SG 3.4Å; I67-C165 VanDerWaalsContact CD1-SG 3.59Å; C165-I184 HydrophobicContact CB-CG2 4.01Å; C165-L188 HydrophobicContact CB-CD2 3.96Å; C165-L188 HydrophobicContact CB-CG 4.46Å; C165-R193 PolarHBondContact N-O 3.24Å; C165-L194 HydrophobicContact CB-CD1 4.12Å; C165-L194 CarbonylContact O-C 3.6Å; C165-L194 VanDerWaalsContact O-CA 3.29Å; C165-L194 WeakPolarHBondContact O-CA 3.19Å; C165-V195 PolarHBondContact O-N 2.84Å
166F98.8Very high97Very high0 Ų033.1 Ų33.10%020%0.199CC..EExtended strand (participates in β ladder)trans-142.1158.6174.473-80.6000113A52 I53 V64 L65 E66 I67 A78 V195A52-F166 HydrophobicContact CB-CD2 4.05Å; I53-F166 HydrophobicContact CD1-CD1 4.18Å; I53-F166 HydrophobicContact CD1-CD2 4.46Å; I53-F166 HydrophobicContact CD1-CE1 3.53Å; I53-F166 HydrophobicContact CD1-CE2 3.85Å; I53-F166 HydrophobicContact CD1-CZ 3.35Å; I53-F166 HydrophobicContact CG1-CE2 4.44Å; I53-F166 HydrophobicContact CG1-CZ 4.35Å; V64-F166 HydrophobicContact CG2-CD1 3.73Å; V64-F166 HydrophobicContact CG2-CE1 3.68Å; L65-F166 PolarHBondContact O-N 2.92Å; E66-F166 WeakPolarHBondContact CA-O 3.27Å; E66-F166 HydrophobicContact CB-CD1 4.47Å; E66-F166 HydrophobicContact CB-CE1 3.77Å; E66-F166 HydrophobicContact CB-CE2 4Å; E66-F166 HydrophobicContact CB-CZ 3.49Å; E66-F166 VanDerWaalsContact CB-CZ 3.49Å; E66-F166 VanDerWaalsContact CD-CE2 3.42Å; E66-F166 VanDerWaalsContact CD-CZ 3.45Å; E66-F166 HydrophobicContact CG-CD2 4.16Å; E66-F166 HydrophobicContact CG-CE1 4.21Å; E66-F166 HydrophobicContact CG-CE2 3.48Å; E66-F166 VanDerWaalsContact CG-CE2 3.48Å; E66-F166 HydrophobicContact CG-CZ 3.49Å; E66-F166 VanDerWaalsContact CG-CZ 3.49Å; E66-F166 WeakPolarHBondContact OE1-CE2 3.44Å; I67-F166 PolarHBondContact N-O 2.96Å; A78-F166 HydrophobicContact CB-CE1 4.49Å; F166-V195 WeakPolarHBondContact CA-O 3.46Å; F166-V195 HydrophobicContact CB-CB 4.09Å; F166-V195 WeakPolarHBondContact CB-O 3.48Å
167H98.7Very high97.3Very high0 Ų029 Ų290%018%0.177CC..EExtended strand (participates in β ladder)trans-151.3152.3170.961.388.8000110.8I67 C170 F171 W174 V195 T196 T197 Y222I67-H167 HydrophobicContact CB-CB 4.03Å; I67-H167 WeakPolarHBondContact O-CB 3.41Å; H167-C170 HydrophobicContact CB-CB 3.75Å; H167-F171 AromaticContact CE1-CD1 3.56Å; H167-W174 AromaticContact CD2-CH2 3.76Å; H167-W174 AromaticContact NE2-CH2 3.63Å; H167-V195 PolarHBondContact N-O 3.01Å; H167-V195 VanDerWaalsContact N-O 3.09Å; H167-T196 WeakPolarHBondContact CE1-CB 3.45Å; H167-T196 PolarHBondContact CE1-OG1 3.32Å; H167-T196 PolarHBondContact ND1-OG1 2.85Å; H167-T196 VanDerWaalsContact O-CA 3.23Å; H167-T196 WeakPolarHBondContact O-CA 3.28Å; H167-T196 WeakPolarHBondContact O-CB 3.26Å; H167-T196 PolarHBondContact O-OG1 3.44Å; H167-T197 PolarHBondContact O-N 3.08Å; H167-Y222 AromaticContact CE1-CZ 3.83Å; H167-Y222 AromaticContact NE2-CE2 3.97Å; H167-Y222 AromaticContact NE2-CZ 3.55Å; H167-Y222 PolarHBondContact NE2-OH 2.91Å
168V98.1Very high97.4Very high16 Ų1630.7 Ų30.710%0.09719%0.189CC..EExtended strand (participates in β ladder)trans-126.9126.9-177.2179.70000108.8L48 A52 C170L48-V168 HydrophobicContact CB-CG1 3.53Å; L48-V168 HydrophobicContact CD1-CG1 4.23Å; L48-V168 HydrophobicContact CG-CG1 4.5Å; A52-V168 HydrophobicContact CB-CG2 4Å; V168-C170 PolarHBondContact O-N 2.83Å; V168-C170 VanDerWaalsContact O-N 3.16Å
169N96.9Very high97.4Very high27 Ų2730.6 Ų30.614%0.14418%0.178CC..SBendtrans48.242.7-179.9-74.9-33.7000113.7N45 L48 Y172 T197N45-N169 PolarHBondContact OD1-ND2 3.38Å; L48-N169 WeakPolarHBondContact CD1-ND2 3.25Å; N169-Y172 VanDerWaalsContact C-CE2 3.45Å; N169-Y172 VanDerWaalsContact CA-CE2 3.43Å; N169-Y172 HydrophobicContact CB-CE2 3.91Å; N169-Y172 PolarHBondContact OD1-OH 2.95Å; N169-T197 PolarHBondContact N-O 3.36Å
170C97.3Very high97.5Very high20 Ų2026.4 Ų26.414%0.13515%0.151CC..  trans-117.7-52.4-167-172.60000114.1H167 V168 Y172 F173 W174H167-C170 HydrophobicContact CB-CB 3.75Å; V168-C170 PolarHBondContact O-N 2.83Å; V168-C170 VanDerWaalsContact O-N 3.16Å; C170-Y172 PolarHBondContact O-N 3.16Å; C170-F173 PolarHBondContact O-N 3.2Å; C170-W174 PolarHBondContact SG-NE1 2.67Å; C170-W174 VanDerWaalsContact SG-NE1 3.39Å
171F97.6Very high97.5Very high2 Ų224.2 Ų24.21%0.00914%0.135CC..G310 helixtrans-58.6-19.9-167.270.3-93.3000115.3H167 F173 W174 L177 T196 F198 P219 Y222H167-F171 AromaticContact CE1-CD1 3.56Å; F171-F173 PolarHBondContact O-N 2.93Å; F171-W174 HydrophobicContact CB-CD2 4.12Å; F171-W174 HydrophobicContact CB-CE3 4.14Å; F171-W174 HydrophobicContact CB-CH2 4.41Å; F171-W174 HydrophobicContact CB-CZ2 4.38Å; F171-W174 HydrophobicContact CB-CZ3 4.3Å; F171-W174 WeakPolarHBondContact O-CB 3.24Å; F171-W174 PolarHBondContact O-N 3.14Å; F171-W174 VanDerWaalsContact O-N 3.12Å; F171-L177 HydrophobicContact CB-CD2 4.3Å; F171-L177 HydrophobicContact CD2-CD2 4.29Å; F171-T196 HydrophobicContact CD1-CG2 4.47Å; F171-T196 HydrophobicContact CE1-CG2 4.35Å; F171-F198 HydrophobicContact CE1-CD1 4.24Å; F171-F198 HydrophobicContact CE1-CE1 4.45Å; F171-P219 HydrophobicContact CZ-CB 4.4Å; F171-Y222 HydrophobicContact CB-CD2 3.69Å; F171-Y222 HydrophobicContact CB-CE2 3.67Å; F171-Y222 HydrophobicContact CD1-CD2 4.14Å; F171-Y222 HydrophobicContact CD1-CE2 4.34Å; F171-Y222 HydrophobicContact CD1-CG 4.28Å; F171-Y222 AromaticContact CD2-CD2 3.51Å; F171-Y222 HydrophobicContact CD2-CD2 3.51Å; F171-Y222 HydrophobicContact CD2-CE2 4.33Å; F171-Y222 AromaticContact CD2-CG 3.77Å; F171-Y222 HydrophobicContact CD2-CG 3.77Å; F171-Y222 HydrophobicContact CE1-CD1 4.45Å; F171-Y222 HydrophobicContact CE1-CG 4.31Å; F171-Y222 VanDerWaalsContact CE2-CB 3.46Å; F171-Y222 HydrophobicContact CE2-CD2 4.1Å; F171-Y222 AromaticContact CE2-CG 3.86Å; F171-Y222 HydrophobicContact CE2-CG 3.86Å; F171-Y222 AromaticContact CG-CD2 3.51Å; F171-Y222 HydrophobicContact CG-CD2 3.51Å; F171-Y222 AromaticContact CG-CE2 3.88Å; F171-Y222 HydrophobicContact CG-CE2 3.88Å; F171-Y222 AromaticContact CG-CG 3.97Å; F171-Y222 HydrophobicContact CG-CG 3.97Å; F171-Y222 HydrophobicContact CZ-CG 4.1Å
172Y97.6Very high97.5Very high11 Ų1128 Ų284%0.04315%0.151CC..G310 helixtrans-53.9-29.3-179.5-37.4-47000113N169 C170 F198 L203 F212 G215 N216 P217N169-Y172 VanDerWaalsContact C-CE2 3.45Å; N169-Y172 VanDerWaalsContact CA-CE2 3.43Å; N169-Y172 HydrophobicContact CB-CE2 3.91Å; N169-Y172 PolarHBondContact OD1-OH 2.95Å; C170-Y172 PolarHBondContact O-N 3.16Å; Y172-F198 WeakPolarHBondContact OH-CB 3.23Å; Y172-L203 HydrophobicContact CD2-CD2 4.46Å; Y172-L203 HydrophobicContact CE1-CD1 3.81Å; Y172-L203 HydrophobicContact CE1-CD2 4.19Å; Y172-L203 HydrophobicContact CE2-CD2 3.61Å; Y172-L203 VanDerWaalsContact CZ-CD2 3.47Å; Y172-L203 WeakPolarHBondContact OH-CD1 3.43Å; Y172-L203 WeakPolarHBondContact OH-CD2 3.26Å; Y172-F212 AromaticContact CD2-CE1 3.72Å; Y172-F212 HydrophobicContact CD2-CE1 3.72Å; Y172-F212 AromaticContact CD2-CZ 4Å; Y172-F212 HydrophobicContact CD2-CZ 4Å; Y172-F212 HydrophobicContact CE2-CZ 4.41Å; Y172-F212 AromaticContact CG-CE1 3.94Å; Y172-F212 HydrophobicContact CG-CE1 3.94Å; Y172-F212 HydrophobicContact CG-CZ 4.42Å; Y172-G215 CarbonylContact O-C 3.57Å; Y172-G215 WeakPolarHBondContact O-CA 3.41Å; Y172-N216 WeakPolarHBondContact CA-O 3.42Å; Y172-N216 PolarHBondContact O-N 3.37Å; Y172-P217 HydrophobicContact CD1-CB 4.4Å
173F97.1Very high97.5Very high27 Ų2730.8 Ų30.812%0.11816%0.163CC..G310 helixtrans-104.66.8-173-56.2-68000113.8L24 K25 C170 F171 P175 F212L24-F173 HydrophobicContact CB-CZ 4.33Å; L24-F173 HydrophobicContact CD2-CZ 3.93Å; L24-F173 HydrophobicContact CG-CE2 4.25Å; L24-F173 HydrophobicContact CG-CZ 3.74Å; L24-F173 WeakPolarHBondContact O-CE2 3.39Å; K25-F173 HydrophobicContact CB-CD1 3.71Å; K25-F173 HydrophobicContact CB-CE1 3.92Å; K25-F173 HydrophobicContact CB-CG 4.14Å; K25-F173 HydrophobicContact CD-CD1 4.35Å; K25-F173 HydrophobicContact CG-CB 4.14Å; K25-F173 HydrophobicContact CG-CD1 3.88Å; K25-F173 HydrophobicContact CG-CG 4.06Å; C170-F173 PolarHBondContact O-N 3.2Å; F171-F173 PolarHBondContact O-N 2.93Å; F173-P175 WeakPolarHBondContact O-CD 3.17Å; F173-F212 AromaticContact CE1-CD1 3.9Å; F173-F212 HydrophobicContact CE1-CD1 3.9Å; F173-F212 HydrophobicContact CE1-CE1 4.12Å; F173-F212 HydrophobicContact CE2-CE1 4.22Å; F173-F212 AromaticContact CZ-CD1 3.79Å; F173-F212 HydrophobicContact CZ-CD1 3.79Å; F173-F212 AromaticContact CZ-CE1 3.55Å; F173-F212 HydrophobicContact CZ-CE1 3.55Å
174W96.7Very high97.5Very high27 Ų2729.1 Ų29.110%0.10215%0.154CC..  trans-75.9123.7178.7-66.82.4000110I67 V152 H167 C170 F171 S176 L177 C180 L181 I184 Y222I67-W174 HydrophobicContact CB-CZ2 4.42Å; I67-W174 HydrophobicContact CD1-CH2 4.21Å; I67-W174 HydrophobicContact CD1-CZ2 4.2Å; I67-W174 HydrophobicContact CG2-CZ2 3.79Å; V152-W174 HydrophobicContact CG1-CD2 3.91Å; V152-W174 HydrophobicContact CG1-CG 4.04Å; V152-W174 HydrophobicContact CG1-CZ2 4.46Å; V152-W174 HydrophobicContact CG2-CH2 4.37Å; V152-W174 HydrophobicContact CG2-CZ2 4.35Å; H167-W174 AromaticContact CD2-CH2 3.76Å; H167-W174 AromaticContact NE2-CH2 3.63Å; C170-W174 PolarHBondContact SG-NE1 2.67Å; C170-W174 VanDerWaalsContact SG-NE1 3.39Å; F171-W174 HydrophobicContact CB-CD2 4.12Å; F171-W174 HydrophobicContact CB-CE3 4.14Å; F171-W174 HydrophobicContact CB-CH2 4.41Å; F171-W174 HydrophobicContact CB-CZ2 4.38Å; F171-W174 HydrophobicContact CB-CZ3 4.3Å; F171-W174 WeakPolarHBondContact O-CB 3.24Å; F171-W174 PolarHBondContact O-N 3.14Å; F171-W174 VanDerWaalsContact O-N 3.12Å; W174-S176 VanDerWaalsContact C-N 3.25Å; W174-S176 PolarHBondContact O-N 2.99Å; W174-L177 HydrophobicContact CB-CD2 4.16Å; W174-L177 HydrophobicContact CE3-CD2 4.08Å; W174-C180 HydrophobicContact CD2-CB 4.01Å; W174-C180 HydrophobicContact CE3-CB 3.4Å; W174-C180 HydrophobicContact CZ3-CB 3.88Å; W174-L181 HydrophobicContact CZ3-CD2 4.14Å; W174-L181 HydrophobicContact CZ3-CG 4.41Å; W174-I184 HydrophobicContact CH2-CD1 3.58Å; W174-I184 HydrophobicContact CZ3-CD1 3.89Å; W174-Y222 HydrophobicContact CZ3-CE2 4.1Å
175P90.6Very high97.5Very high109 Ų10933.2 Ų33.271%0.70817%0.169SC*.SBendtrans-60.7-31.2-176.8-25.934.6000114.5F173F173-P175 WeakPolarHBondContact O-CD 3.17Å
176S96.1Very high97.4Very high50 Ų5037 Ų3735%0.3518%0.183SC..  trans-141.2106.8175.2173.90000109.8W174 T178 Y179 C180W174-S176 VanDerWaalsContact C-N 3.25Å; W174-S176 PolarHBondContact O-N 2.99Å; S176-T178 PolarHBondContact O-N 3.2Å; S176-Y179 PolarHBondContact O-N 2.93Å; S176-Y179 WeakPolarHBondContact OG-CB 3.37Å; S176-Y179 PolarHBondContact OG-N 3.11Å; S176-C180 WeakPolarHBondContact O-CB 2.98Å; S176-C180 PolarHBondContact O-N 2.91Å; S176-C180 PolarHBondContact O-SG 2.73Å
177L97.9Very high97.4Very high26 Ų2637 Ų3714%0.13618%0.183CC..Hα-helixtrans-57.1-51.1178.7-68.5178.8000111.3F171 W174 Y179 C180 L181 I221 Y222 A225F171-L177 HydrophobicContact CB-CD2 4.3Å; F171-L177 HydrophobicContact CD2-CD2 4.29Å; W174-L177 HydrophobicContact CB-CD2 4.16Å; W174-L177 HydrophobicContact CE3-CD2 4.08Å; L177-Y179 PolarHBondContact O-N 3.11Å; L177-C180 PolarHBondContact O-N 3.23Å; L177-L181 VanDerWaalsContact O-CB 3.25Å; L177-L181 WeakPolarHBondContact O-CB 3.46Å; L177-L181 WeakPolarHBondContact O-CG 3.34Å; L177-L181 PolarHBondContact O-N 3.34Å; L177-I221 HydrophobicContact CD1-CB 4.35Å; L177-I221 HydrophobicContact CD1-CD1 3.78Å; L177-I221 HydrophobicContact CD1-CG1 3.93Å; L177-Y222 HydrophobicContact CD2-CD2 4.03Å; L177-A225 HydrophobicContact CB-CB 3.71Å; L177-A225 HydrophobicContact CD1-CB 4.35Å
178T97.7Very high97.4Very high50 Ų5037 Ų3731%0.30718%0.183SC..Hα-helixtrans-57.7-47.7-179.6-50.60000112.1S176 C180 L181 Q182 T228 C229S176-T178 PolarHBondContact O-N 3.2Å; T178-C180 PolarHBondContact O-N 3.28Å; T178-L181 PolarHBondContact O-N 3.36Å; T178-Q182 WeakPolarHBondContact O-CB 3.38Å; T178-Q182 VanDerWaalsContact O-CG 3.29Å; T178-Q182 WeakPolarHBondContact O-CG 3.49Å; T178-Q182 PolarHBondContact O-N 3.17Å; T178-T228 HydrophobicContact CG2-CG2 4.35Å; T178-C229 PolarHBondContact O-SG 3.3Å
179Y97.6Very high97.4Very high84 Ų8441.3 Ų41.333%0.32920%0.197SC..Hα-helixtrans-64.4-43.9-179.9-176.7-104.9000112H153 S176 L177 Q182 K183H153-Y179 HydrophobicContact CB-CD1 4.46Å; H153-Y179 HydrophobicContact CB-CE1 3.95Å; H153-Y179 AromaticContact CG-CD1 3.98Å; H153-Y179 AromaticContact CG-CE1 3.88Å; H153-Y179 AromaticContact ND1-CE1 3.97Å; S176-Y179 PolarHBondContact O-N 2.93Å; S176-Y179 WeakPolarHBondContact OG-CB 3.37Å; S176-Y179 PolarHBondContact OG-N 3.11Å; L177-Y179 PolarHBondContact O-N 3.11Å; Y179-Q182 PolarHBondContact O-N 3.36Å; Y179-K183 WeakPolarHBondContact O-CG 3.36Å; Y179-K183 PolarHBondContact O-N 3.15Å; Y179-K183 WeakPolarHBondContact OH-CE 3.32Å; Y179-K183 PolarHBondContact OH-NZ 2.98Å; Y179-K183 VanDerWaalsContact OH-NZ 3.1Å
180C98.1Very high97.4Very high0 Ų042 Ų420%020%0.203CC..Hα-helixtrans-62.4-46.1177.5-62.70000111.4V152 H153 W174 S176 L177 T178 Q182 K183 I184V152-C180 HydrophobicContact CB-CB 4.47Å; V152-C180 HydrophobicContact CG1-CB 3.78Å; V152-C180 WeakPolarHBondContact CG1-SG 3.34Å; V152-C180 HydrophobicContact CG2-CB 3.86Å; H153-C180 PolarHBondContact CD2-SG 3.22Å; W174-C180 HydrophobicContact CD2-CB 4.01Å; W174-C180 HydrophobicContact CE3-CB 3.4Å; W174-C180 HydrophobicContact CZ3-CB 3.88Å; S176-C180 WeakPolarHBondContact O-CB 2.98Å; S176-C180 PolarHBondContact O-N 2.91Å; S176-C180 PolarHBondContact O-SG 2.73Å; L177-C180 PolarHBondContact O-N 3.23Å; T178-C180 PolarHBondContact O-N 3.28Å; C180-Q182 VanDerWaalsContact C-N 3.33Å; C180-Q182 PolarHBondContact O-N 2.86Å; C180-K183 WeakPolarHBondContact O-CB 3.33Å; C180-K183 PolarHBondContact O-N 2.95Å; C180-K183 VanDerWaalsContact O-N 3.14Å; C180-I184 WeakPolarHBondContact O-CG1 3.43Å; C180-I184 PolarHBondContact O-N 3.36Å; C180-I184 VanDerWaalsContact O-N 3.1Å
181L98.6Very high97.4Very high0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-64.4-35.4179-72.7173.2000112.2W174 L177 T178 K183 I184 W185 L194 Y222 A225 L226 C229 F231W174-L181 HydrophobicContact CZ3-CD2 4.14Å; W174-L181 HydrophobicContact CZ3-CG 4.41Å; L177-L181 VanDerWaalsContact O-CB 3.25Å; L177-L181 WeakPolarHBondContact O-CB 3.46Å; L177-L181 WeakPolarHBondContact O-CG 3.34Å; L177-L181 PolarHBondContact O-N 3.34Å; T178-L181 PolarHBondContact O-N 3.36Å; L181-K183 VanDerWaalsContact C-N 3.34Å; L181-K183 PolarHBondContact O-N 3.29Å; L181-I184 HydrophobicContact CD2-CD1 4.29Å; L181-I184 PolarHBondContact O-N 3.04Å; L181-W185 VanDerWaalsContact O-CB 3.3Å; L181-W185 WeakPolarHBondContact O-CB 3.39Å; L181-W185 PolarHBondContact O-N 3.36Å; L181-L194 HydrophobicContact CD2-CD2 3.57Å; L181-Y222 HydrophobicContact CD1-CE2 4.36Å; L181-Y222 HydrophobicContact CD2-CE2 3.89Å; L181-Y222 HydrophobicContact CG-CE2 4.46Å; L181-A225 HydrophobicContact CD1-CB 3.6Å; L181-L226 HydrophobicContact CD1-CD2 4.05Å; L181-L226 HydrophobicContact CD1-CG 4.11Å; L181-L226 HydrophobicContact CD2-CD2 3.56Å; L181-L226 HydrophobicContact CD2-CG 4.4Å; L181-L226 HydrophobicContact CG-CD2 4.41Å; L181-C229 HydrophobicContact CB-CB 4.19Å; L181-F231 HydrophobicContact CB-CE2 4.27Å; L181-F231 HydrophobicContact CD2-CE2 4.39Å
182Q97.9Very high97.4Very high101 Ų10146 Ų4647%0.47223%0.225SC..Hα-helixtrans-62.9-38.2172-76.2172.2-8.700112.5T178 Y179 C180 W185 R186T178-Q182 WeakPolarHBondContact O-CB 3.38Å; T178-Q182 VanDerWaalsContact O-CG 3.29Å; T178-Q182 WeakPolarHBondContact O-CG 3.49Å; T178-Q182 PolarHBondContact O-N 3.17Å; Y179-Q182 PolarHBondContact O-N 3.36Å; C180-Q182 VanDerWaalsContact C-N 3.33Å; C180-Q182 PolarHBondContact O-N 2.86Å; Q182-W185 PolarHBondContact O-N 2.97Å; Q182-R186 WeakPolarHBondContact O-CB 3.3Å; Q182-R186 PolarHBondContact O-N 2.76Å
183K98.2Very high97.4Very high58 Ų5849 Ų4925%0.25224%0.236SC..Hα-helixtrans-64.5-41.8174.4-61.6-58.6-178.3-1780111.4H153 L155 Y179 C180 L181 R186 V187H153-K183 WeakPolarHBondContact O-CE 3.26Å; L155-K183 HydrophobicContact CD1-CB 3.96Å; L155-K183 HydrophobicContact CG-CB 4.21Å; Y179-K183 WeakPolarHBondContact O-CG 3.36Å; Y179-K183 PolarHBondContact O-N 3.15Å; Y179-K183 WeakPolarHBondContact OH-CE 3.32Å; Y179-K183 PolarHBondContact OH-NZ 2.98Å; Y179-K183 VanDerWaalsContact OH-NZ 3.1Å; C180-K183 WeakPolarHBondContact O-CB 3.33Å; C180-K183 PolarHBondContact O-N 2.95Å; C180-K183 VanDerWaalsContact O-N 3.14Å; L181-K183 VanDerWaalsContact C-N 3.34Å; L181-K183 PolarHBondContact O-N 3.29Å; K183-R186 WeakPolarHBondContact O-CB 3.4Å; K183-R186 PolarHBondContact O-N 2.82Å; K183-V187 PolarHBondContact O-N 3.34Å
184I98.6Very high97.5Very high0 Ų047.9 Ų47.90%023%0.231CC..Hα-helixtrans-64.8-48.1176.4-62.6167.1000110.5I67 V152 L155 C165 W174 C180 L181 R186 V187 L188 L194 F231I67-I184 HydrophobicContact CD1-CD1 3.4Å; I67-I184 HydrophobicContact CD1-CG1 3.72Å; V152-I184 HydrophobicContact CG2-CD1 3.99Å; V152-I184 HydrophobicContact CG2-CG1 4.06Å; L155-I184 HydrophobicContact CD1-CG1 3.96Å; C165-I184 HydrophobicContact CB-CG2 4.01Å; W174-I184 HydrophobicContact CH2-CD1 3.58Å; W174-I184 HydrophobicContact CZ3-CD1 3.89Å; C180-I184 WeakPolarHBondContact O-CG1 3.43Å; C180-I184 PolarHBondContact O-N 3.36Å; C180-I184 VanDerWaalsContact O-N 3.1Å; L181-I184 HydrophobicContact CD2-CD1 4.29Å; L181-I184 PolarHBondContact O-N 3.04Å; I184-R186 PolarHBondContact O-N 3.39Å; I184-V187 VanDerWaalsContact O-CG2 3.23Å; I184-V187 WeakPolarHBondContact O-CG2 3.49Å; I184-V187 PolarHBondContact O-N 3.12Å; I184-V187 VanDerWaalsContact O-N 3.13Å; I184-L188 HydrophobicContact CG2-CD1 3.79Å; I184-L188 HydrophobicContact CG2-CG 4.16Å; I184-L188 WeakPolarHBondContact O-CG 3.4Å; I184-L188 PolarHBondContact O-N 2.88Å; I184-L194 HydrophobicContact CD1-CD1 4.45Å; I184-L194 HydrophobicContact CD1-CD2 4.38Å; I184-L194 HydrophobicContact CG2-CD1 4.11Å; I184-L194 HydrophobicContact CG2-CD2 4Å; I184-L194 HydrophobicContact CG2-CG 4.5Å; I184-F231 HydrophobicContact CG2-CZ 4.37Å
185W98.2Very high97.6Very high90 Ų9046.6 Ų46.634%0.34123%0.226SC..Hα-helixtrans-55.1-40.9177.2-170.7102.4000111.5L181 Q182 V187 G230 F231 K256L181-W185 VanDerWaalsContact O-CB 3.3Å; L181-W185 WeakPolarHBondContact O-CB 3.39Å; L181-W185 PolarHBondContact O-N 3.36Å; Q182-W185 PolarHBondContact O-N 2.97Å; W185-V187 PolarHBondContact O-N 2.57Å; W185-G230 PolarHBondContact NE1-O 3.4Å; W185-F231 HydrophobicContact CB-CE2 3.89Å; W185-F231 HydrophobicContact CB-CZ 3.85Å; W185-F231 AromaticContact CD1-CE2 3.87Å; W185-F231 HydrophobicContact CG-CE2 4.33Å; W185-F231 HydrophobicContact CG-CZ 4.35Å; W185-K256 HydrophobicContact CD2-CD 4.28Å; W185-K256 HydrophobicContact CD2-CG 4.46Å; W185-K256 HydrophobicContact CZ2-CD 4.44Å; W185-K256 HydrophobicContact CZ2-CG 4.23Å; W185-K256 WeakPolarHBondContact O-CD 3.42Å; W185-K256 WeakPolarHBondContact O-CE 3.28Å; W185-K256 PolarHBondContact O-NZ 3.35Å
186R97.8Very high98Very high80 Ų8041.4 Ų41.430%0.30219%0.193SC..Hα-helixtrans-60.6-45.2177.7-172-168.765.572-2.4112.5L155 Y157 P159 S160 Q182 K183 I184L155-R186 PolarHBondContact O-NH2 3.07Å; Y157-R186 VanDerWaalsContact O-CZ 3.32Å; Y157-R186 PolarHBondContact O-NH1 3.38Å; Y157-R186 PolarHBondContact O-NH2 2.97Å; P159-R186 VanDerWaalsContact CA-O 3.32Å; P159-R186 WeakPolarHBondContact CA-O 3.48Å; P159-R186 HydrophobicContact CB-CG 4.34Å; S160-R186 PolarHBondContact N-O 2.86Å; Q182-R186 WeakPolarHBondContact O-CB 3.3Å; Q182-R186 PolarHBondContact O-N 2.76Å; K183-R186 WeakPolarHBondContact O-CB 3.4Å; K183-R186 PolarHBondContact O-N 2.82Å; I184-R186 PolarHBondContact O-N 3.39Å
187V98.4Very high98.1Very high0 Ų039 Ų390%018%0.176CC..Hα-helixtrans-81.3-25.3-175.1-590000113.2L65 L155 Y157 S160 S161 I162 K183 I184 W185L65-V187 HydrophobicContact CD2-CG2 4.35Å; L155-V187 HydrophobicContact CB-CG1 4.16Å; L155-V187 HydrophobicContact CD1-CG2 4.14Å; Y157-V187 HydrophobicContact CD2-CG1 4.43Å; S160-V187 CarbonylContact C-O 3.56Å; S160-V187 WeakPolarHBondContact CA-O 3.38Å; S160-V187 PolarHBondContact N-O 2.85Å; S161-V187 PolarHBondContact N-O 3.45Å; I162-V187 HydrophobicContact CG1-CB 4.07Å; I162-V187 HydrophobicContact CG1-CG2 4.09Å; I162-V187 PolarHBondContact N-O 3.07Å; K183-V187 PolarHBondContact O-N 3.34Å; I184-V187 VanDerWaalsContact O-CG2 3.23Å; I184-V187 WeakPolarHBondContact O-CG2 3.49Å; I184-V187 PolarHBondContact O-N 3.12Å; I184-V187 VanDerWaalsContact O-N 3.13Å; W185-V187 PolarHBondContact O-N 2.57Å
188L98.6Very high98.1Very high0 Ų037.8 Ų37.80%017%0.169CC..EExtended strand (participates in β ladder)trans-65.8139175.7-77.4173.7000111.6S160 I162 C165 I184 L194 F231 K256S160-L188 WeakPolarHBondContact CA-O 3.5Å; I162-L188 HydrophobicContact CB-CD2 4.37Å; I162-L188 HydrophobicContact CG2-CD2 4.04Å; I162-L188 CarbonylContact O-C 3.54Å; I162-L188 WeakPolarHBondContact O-CA 3.07Å; C165-L188 HydrophobicContact CB-CD2 3.96Å; C165-L188 HydrophobicContact CB-CG 4.46Å; I184-L188 HydrophobicContact CG2-CD1 3.79Å; I184-L188 HydrophobicContact CG2-CG 4.16Å; I184-L188 WeakPolarHBondContact O-CG 3.4Å; I184-L188 PolarHBondContact O-N 2.88Å; L188-L194 HydrophobicContact CD1-CB 4.12Å; L188-F231 HydrophobicContact CD1-CE1 3.79Å; L188-F231 HydrophobicContact CD1-CZ 4.25Å; L188-K256 HydrophobicContact CB-CB 4.36Å; L188-K256 HydrophobicContact CB-CD 4.01Å; L188-K256 WeakPolarHBondContact O-CD 3.41Å; L188-K256 WeakPolarHBondContact O-CE 3.36Å; L188-K256 PolarHBondContact O-NZ 2.93Å
189R97.9Very high98Very high105 Ų10536.9 Ų36.940%0.39616%0.162SC..EExtended strand (participates in β ladder)trans-64.6154.8167.1-77177.2172.3175.5-1.5110.7S160 I162 N163 N191 G192 K256S160-R189 WeakPolarHBondContact O-CG 3.25Å; S160-R189 PolarHBondContact O-NE 2.69Å; I162-R189 PolarHBondContact O-N 3.08Å; N163-R189 PolarHBondContact ND2-NH1 3.01Å; N163-R189 PolarHBondContact OD1-NH1 3.41Å; R189-N191 PolarHBondContact O-N 3.17Å; R189-G192 WeakPolarHBondContact O-CA 3.07Å; R189-G192 PolarHBondContact O-N 3.38Å; R189-K256 WeakPolarHBondContact O-CD 3.48Å
190P97.3Very high97.8Very high41 Ų4135.2 Ų35.227%0.26616%0.158SC..EExtended strand (participates in β ladder)trans-51.6139.1164.2-22.533.5000110.2G192 I259P190-G192 PolarHBondContact O-N 2.88Å; P190-I259 HydrophobicContact CB-CG1 4.24Å; P190-I259 HydrophobicContact CG-CD1 3.62Å; P190-I259 HydrophobicContact CG-CG1 3.77Å
191N96.2Very high97.6Very high104 Ų10440.7 Ų40.756%0.55619%0.187SC*.EExtended strand (participates in β ladder)trans63.74.4-169.1-51.1-49.2000115.6R189 K256 S258R189-N191 PolarHBondContact O-N 3.17Å; N191-K256 WeakPolarHBondContact CA-O 3.34Å; N191-K256 PolarHBondContact N-O 3.45Å; N191-S258 WeakPolarHBondContact OD1-CB 3.48Å
192G97.8Very high97.5Very high4 Ų442 Ų424%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-67147.3176.500000111.7N163 R189 P190 H255 K256N163-G192 WeakPolarHBondContact O-CA 3.26Å; R189-G192 WeakPolarHBondContact O-CA 3.07Å; R189-G192 PolarHBondContact O-N 3.38Å; P190-G192 PolarHBondContact O-N 2.88Å; G192-H255 WeakPolarHBondContact O-CA 3.48Å; G192-K256 PolarHBondContact O-N 2.95Å
193R98.3Very high97.4Very high74 Ų7437.4 Ų37.428%0.27917%0.172SC..EExtended strand (participates in β ladder)trans-97.7138.4-175.3-65.4-177.7177.7-170.41.7111.8A55 N163 A164 C165 V195 A254 H255A55-R193 PolarHBondContact O-NH1 2.89Å; A55-R193 VanDerWaalsContact O-NH1 3.07Å; N163-R193 PolarHBondContact O-N 3.46Å; A164-R193 CarbonylContact C-O 3.53Å; A164-R193 WeakPolarHBondContact CA-O 3.41Å; A164-R193 HydrophobicContact CB-CB 4.42Å; C165-R193 PolarHBondContact N-O 3.24Å; R193-V195 HydrophobicContact CB-CG2 4.32Å; R193-A254 CarbonylContact C-O 3.56Å; R193-H255 PolarHBondContact NE-NE2 3.26Å
194L98.8Very high97.3Very high2 Ų238.3 Ų38.31%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-110.6119.4160.8175.253.7000108.3C165 L181 I184 L188 L226 F231 A254C165-L194 HydrophobicContact CB-CD1 4.12Å; C165-L194 CarbonylContact O-C 3.6Å; C165-L194 VanDerWaalsContact O-CA 3.29Å; C165-L194 WeakPolarHBondContact O-CA 3.19Å; L181-L194 HydrophobicContact CD2-CD2 3.57Å; I184-L194 HydrophobicContact CD1-CD1 4.45Å; I184-L194 HydrophobicContact CD1-CD2 4.38Å; I184-L194 HydrophobicContact CG2-CD1 4.11Å; I184-L194 HydrophobicContact CG2-CD2 4Å; I184-L194 HydrophobicContact CG2-CG 4.5Å; L188-L194 HydrophobicContact CD1-CB 4.12Å; L194-L226 HydrophobicContact CD2-CD2 3.63Å; L194-F231 HydrophobicContact CB-CD1 4.48Å; L194-F231 HydrophobicContact CB-CE1 3.84Å; L194-F231 HydrophobicContact CB-CZ 4.42Å; L194-F231 HydrophobicContact CD2-CE1 3.93Å; L194-F231 HydrophobicContact CD2-CE2 4.29Å; L194-F231 HydrophobicContact CD2-CZ 3.7Å; L194-A254 PolarHBondContact N-O 2.98Å; L194-A254 PolarHBondContact O-N 3.48Å
195V98.8Very high97.3Very high0 Ų040.7 Ų40.70%019%0.191CC..EExtended strand (participates in β ladder)trans-117.9138.2-177.9179.40000110.3A52 A55 C165 F166 H167 R193 I252 I253A52-V195 HydrophobicContact CB-CG1 4.18Å; A55-V195 HydrophobicContact CB-CG1 3.78Å; A55-V195 HydrophobicContact CB-CG2 4.38Å; C165-V195 PolarHBondContact O-N 2.84Å; F166-V195 WeakPolarHBondContact CA-O 3.46Å; F166-V195 HydrophobicContact CB-CB 4.09Å; F166-V195 WeakPolarHBondContact CB-O 3.48Å; H167-V195 PolarHBondContact N-O 3.01Å; H167-V195 VanDerWaalsContact N-O 3.09Å; R193-V195 HydrophobicContact CB-CG2 4.32Å; V195-I252 CarbonylContact C-O 3.57Å; V195-I252 WeakPolarHBondContact CA-O 3.4Å; V195-I253 HydrophobicContact CG2-CG1 4.31Å; V195-I253 HydrophobicContact CG2-CG2 4.22Å
196T98.7Very high97.2Very high1 Ų136.5 Ų36.51%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-137142.3165.3-171.10000111.6H167 F171 F198 Y222 C251 I252H167-T196 WeakPolarHBondContact CE1-CB 3.45Å; H167-T196 PolarHBondContact CE1-OG1 3.32Å; H167-T196 PolarHBondContact ND1-OG1 2.85Å; H167-T196 VanDerWaalsContact O-CA 3.23Å; H167-T196 WeakPolarHBondContact O-CA 3.28Å; H167-T196 WeakPolarHBondContact O-CB 3.26Å; H167-T196 PolarHBondContact O-OG1 3.44Å; F171-T196 HydrophobicContact CD1-CG2 4.47Å; F171-T196 HydrophobicContact CE1-CG2 4.35Å; T196-F198 HydrophobicContact CG2-CD1 4.47Å; T196-F198 HydrophobicContact CG2-CE1 4.35Å; T196-Y222 HydrophobicContact CG2-CD1 4.21Å; T196-Y222 HydrophobicContact CG2-CE1 3.57Å; T196-C251 CarbonylContact O-C 3.59Å; T196-C251 VanDerWaalsContact O-CA 3.32Å; T196-C251 WeakPolarHBondContact O-CA 3.46Å; T196-I252 HydrophobicContact CG2-CB 3.89Å; T196-I252 HydrophobicContact CG2-CD1 4.46Å; T196-I252 PolarHBondContact N-O 3.48Å; T196-I252 PolarHBondContact O-N 3.38Å
197T98.3Very high97.1Very high0 Ų036.9 Ų36.90%018%0.184CC..EExtended strand (participates in β ladder)trans-124.1146.317558.70000112L48 A51 A52 H167 N169 D250 C251L48-T197 VanDerWaalsContact C-OG1 3.29Å; L48-T197 PolarHBondContact O-OG1 2.79Å; A51-T197 HydrophobicContact CB-CG2 4.22Å; A52-T197 HydrophobicContact CB-CG2 3.77Å; H167-T197 PolarHBondContact O-N 3.08Å; N169-T197 PolarHBondContact N-O 3.36Å; T197-D250 CarbonylContact C-O 3.38Å; T197-D250 WeakPolarHBondContact CA-O 3.42Å; T197-C251 HydrophobicContact CG2-CB 3.96Å
198F97.8Very high97.1Very high0 Ų044.2 Ų44.20%022%0.218CC..EExtended strand (participates in β ladder)trans-158.2177.9179.354.6-87.8000110.7L48 F171 Y172 T196 L203 P219 W236 D250 I252L48-F198 WeakPolarHBondContact CD2-O 3.38Å; F171-F198 HydrophobicContact CE1-CD1 4.24Å; F171-F198 HydrophobicContact CE1-CE1 4.45Å; Y172-F198 WeakPolarHBondContact OH-CB 3.23Å; T196-F198 HydrophobicContact CG2-CD1 4.47Å; T196-F198 HydrophobicContact CG2-CE1 4.35Å; F198-L203 HydrophobicContact CB-CD1 4.22Å; F198-L203 HydrophobicContact CD2-CD1 3.76Å; F198-L203 HydrophobicContact CG-CD1 4.22Å; F198-P219 HydrophobicContact CD2-CG 4.29Å; F198-P219 HydrophobicContact CE1-CB 4.31Å; F198-P219 HydrophobicContact CE2-CB 3.92Å; F198-P219 HydrophobicContact CE2-CG 3.47Å; F198-P219 VanDerWaalsContact CE2-CG 3.47Å; F198-P219 HydrophobicContact CZ-CB 3.54Å; F198-P219 HydrophobicContact CZ-CG 3.67Å; F198-W236 AromaticContact CE2-CZ2 3.9Å; F198-W236 HydrophobicContact CE2-CZ2 3.9Å; F198-W236 AromaticContact CZ-CE2 3.98Å; F198-W236 HydrophobicContact CZ-CH2 4.43Å; F198-W236 AromaticContact CZ-CZ2 3.8Å; F198-W236 HydrophobicContact CZ-CZ2 3.8Å; F198-D250 HydrophobicContact CD1-CB 4.46Å; F198-D250 HydrophobicContact CD2-CB 3.61Å; F198-D250 HydrophobicContact CE1-CB 4.29Å; F198-D250 HydrophobicContact CE2-CB 3.4Å; F198-D250 HydrophobicContact CG-CB 4.13Å; F198-D250 HydrophobicContact CZ-CB 3.76Å; F198-D250 PolarHBondContact N-O 3.32Å; F198-D250 WeakPolarHBondContact O-CB 3.47Å; F198-D250 PolarHBondContact O-N 2.95Å; F198-I252 HydrophobicContact CE1-CD1 3.7Å; F198-I252 HydrophobicContact CE1-CG1 3.99Å; F198-I252 HydrophobicContact CZ-CD1 3.89Å; F198-I252 HydrophobicContact CZ-CG1 4.25Å
199Q95.3Very high96.9Very high31 Ų3149.8 Ų49.815%0.14524%0.239CC..  trans-131.4109.8174-168.7155.8-1.800109.1Q44 N201 Q202 L203 E247Q44-Q199 VanDerWaalsContact CD-OE1 3.24Å; Q199-N201 VanDerWaalsContact C-N 3.25Å; Q199-N201 PolarHBondContact O-N 3.28Å; Q199-N201 VanDerWaalsContact O-N 3.17Å; Q199-Q202 HydrophobicContact CB-CB 4.32Å; Q199-Q202 WeakPolarHBondContact O-CA 3.41Å; Q199-Q202 WeakPolarHBondContact O-CB 3.23Å; Q199-Q202 PolarHBondContact O-N 3.43Å; Q199-L203 PolarHBondContact O-N 3.09Å; Q199-L203 VanDerWaalsContact O-N 3.11Å; Q199-E247 PolarHBondContact NE2-OE1 3.44Å
200I94.8Very high96.9Very high48 Ų4846.1 Ų46.125%0.24623%0.234CC..Hα-helixtrans-56-39.6-170-165.662.6000112.9Q202 L203 I204 P219 D250I200-Q202 VanDerWaalsContact C-N 3.3Å; I200-Q202 PolarHBondContact O-N 2.88Å; I200-L203 WeakPolarHBondContact O-CB 3.49Å; I200-L203 PolarHBondContact O-N 3.2Å; I200-L203 VanDerWaalsContact O-N 3.11Å; I200-I204 HydrophobicContact CG1-CD1 4.2Å; I200-I204 WeakPolarHBondContact O-CG1 3.38Å; I200-I204 PolarHBondContact O-N 3.45Å; I200-P219 HydrophobicContact CD1-CG 3.92Å; I200-D250 PolarHBondContact N-OD2 3.19Å
201N94.2Very high96.9Very high115 Ų11544.9 Ų44.962%0.61522%0.224SC*.Hα-helixtrans-64.9-33.6178.1-68.6-13.6000112.6Q199 D205Q199-N201 VanDerWaalsContact C-N 3.25Å; Q199-N201 PolarHBondContact O-N 3.28Å; Q199-N201 VanDerWaalsContact O-N 3.17Å; N201-D205 PolarHBondContact O-N 2.79Å
202Q95.1Very high96.9Very high28 Ų2840.6 Ų40.613%0.13120%0.2CC..Hα-helixtrans-68.8-43.6172.7176.2173.897.300110.6L41 Q44 Q199 I200 I204 D205 L206L41-Q202 VanDerWaalsContact CD2-NE2 3.31Å; Q44-Q202 VanDerWaalsContact CD-NE2 3.33Å; Q199-Q202 HydrophobicContact CB-CB 4.32Å; Q199-Q202 WeakPolarHBondContact O-CA 3.41Å; Q199-Q202 WeakPolarHBondContact O-CB 3.23Å; Q199-Q202 PolarHBondContact O-N 3.43Å; I200-Q202 VanDerWaalsContact C-N 3.3Å; I200-Q202 PolarHBondContact O-N 2.88Å; Q202-I204 VanDerWaalsContact C-N 3.25Å; Q202-I204 PolarHBondContact O-N 2.91Å; Q202-D205 PolarHBondContact O-N 3.36Å; Q202-L206 HydrophobicContact CG-CD1 3.82Å; Q202-L206 HydrophobicContact CG-CG 3.98Å; Q202-L206 VanDerWaalsContact O-CG 3.27Å; Q202-L206 WeakPolarHBondContact O-CG 3.34Å; Q202-L206 PolarHBondContact O-N 2.95Å
203L96.5Very high96.9Very high4 Ų444.4 Ų44.42%0.02122%0.217CC..Hα-helixtrans-59.2-41.5178.4-59.1-174.8000111.2Y172 F198 Q199 I200 L206 N207 F212 P217Y172-L203 HydrophobicContact CD2-CD2 4.46Å; Y172-L203 HydrophobicContact CE1-CD1 3.81Å; Y172-L203 HydrophobicContact CE1-CD2 4.19Å; Y172-L203 HydrophobicContact CE2-CD2 3.61Å; Y172-L203 VanDerWaalsContact CZ-CD2 3.47Å; Y172-L203 WeakPolarHBondContact OH-CD1 3.43Å; Y172-L203 WeakPolarHBondContact OH-CD2 3.26Å; F198-L203 HydrophobicContact CB-CD1 4.22Å; F198-L203 HydrophobicContact CD2-CD1 3.76Å; F198-L203 HydrophobicContact CG-CD1 4.22Å; Q199-L203 PolarHBondContact O-N 3.09Å; Q199-L203 VanDerWaalsContact O-N 3.11Å; I200-L203 WeakPolarHBondContact O-CB 3.49Å; I200-L203 PolarHBondContact O-N 3.2Å; I200-L203 VanDerWaalsContact O-N 3.11Å; L203-L206 PolarHBondContact O-N 3.42Å; L203-N207 VanDerWaalsContact O-CB 3.23Å; L203-N207 WeakPolarHBondContact O-CB 3.25Å; L203-N207 PolarHBondContact O-N 2.98Å; L203-F212 HydrophobicContact CD2-CE2 4.4Å; L203-F212 HydrophobicContact CD2-CZ 3.98Å; L203-P217 HydrophobicContact CB-CB 4.26Å; L203-P217 HydrophobicContact CD1-CB 4.49Å
204I96.5Very high96.8Very high77 Ų7745.2 Ų45.240%0.39522%0.221SC..Hα-helixtrans-61.6-49.2174.2-66.7163.6000111.3I200 Q202 L206 N207 Q208I200-I204 HydrophobicContact CG1-CD1 4.2Å; I200-I204 WeakPolarHBondContact O-CG1 3.38Å; I200-I204 PolarHBondContact O-N 3.45Å; Q202-I204 VanDerWaalsContact C-N 3.25Å; Q202-I204 PolarHBondContact O-N 2.91Å; I204-L206 PolarHBondContact O-N 2.87Å; I204-N207 PolarHBondContact O-N 2.68Å; I204-Q208 HydrophobicContact CG2-CG 4.3Å; I204-Q208 WeakPolarHBondContact O-CB 3.27Å; I204-Q208 WeakPolarHBondContact O-CG 3.46Å; I204-Q208 PolarHBondContact O-N 3.49Å
205D97Very high96.7Very high50 Ų5046.2 Ų46.227%0.26723%0.231SC..Hα-helixtrans-56.8-47.8177.1169.976.1000111.6K40 N201 Q202 N207 Q208 R209K40-D205 IonicContact NZ-OD2 2.9Å; K40-D205 PolarHBondContact NZ-OD2 3.02Å; N201-D205 PolarHBondContact O-N 2.79Å; Q202-D205 PolarHBondContact O-N 3.36Å; D205-N207 VanDerWaalsContact C-N 3.33Å; D205-N207 PolarHBondContact O-N 2.77Å; D205-Q208 PolarHBondContact O-N 3.35Å; D205-R209 VanDerWaalsContact O-CG 3.25Å; D205-R209 WeakPolarHBondContact O-CG 3.2Å; D205-R209 PolarHBondContact O-N 3.47Å; D205-R209 VanDerWaalsContact O-N 3.09Å; D205-R209 IonicContact OD1-CZ 3.85Å; D205-R209 VanDerWaalsContact OD1-CZ 3.29Å; D205-R209 IonicContact OD1-NE 2.74Å; D205-R209 PolarHBondContact OD1-NE 2.73Å; D205-R209 IonicContact OD1-NH2 2.82Å; D205-R209 PolarHBondContact OD1-NH2 2.91Å; D205-R209 IonicContact OD2-CZ 3.66Å; D205-R209 IonicContact OD2-NE 3.36Å; D205-R209 PolarHBondContact OD2-NE 2.89Å; D205-R209 IonicContact OD2-NH2 3.29Å
206L96.6Very high96.6Very high3 Ų350 Ų502%0.01625%0.252CS..Hα-helixtrans-66.5-36.4-179.3-62.8-178.2000111.7L24 Q202 L203 I204 R209 G210 W211 F212L24-L206 HydrophobicContact CD1-CD1 4.3Å; L24-L206 HydrophobicContact CD2-CD1 4.22Å; Q202-L206 HydrophobicContact CG-CD1 3.82Å; Q202-L206 HydrophobicContact CG-CG 3.98Å; Q202-L206 VanDerWaalsContact O-CG 3.27Å; Q202-L206 WeakPolarHBondContact O-CG 3.34Å; Q202-L206 PolarHBondContact O-N 2.95Å; L203-L206 PolarHBondContact O-N 3.42Å; I204-L206 PolarHBondContact O-N 2.87Å; L206-R209 PolarHBondContact O-N 3.39Å; L206-G210 PolarHBondContact O-N 3.49Å; L206-W211 HydrophobicContact CD2-CD2 4.49Å; L206-W211 HydrophobicContact CD2-CE3 3.52Å; L206-W211 HydrophobicContact CD2-CZ3 3.7Å; L206-W211 WeakPolarHBondContact O-CB 3.42Å; L206-W211 PolarHBondContact O-N 3.26Å; L206-F212 HydrophobicContact CB-CD2 4.17Å; L206-F212 HydrophobicContact CB-CE2 3.65Å; L206-F212 HydrophobicContact CB-CZ 4.46Å; L206-F212 HydrophobicContact CD1-CE2 4.45Å
207N96.8Very high96.5Very high88 Ų8850.8 Ų50.847%0.47126%0.257SS..Hα-helixtrans-68.6-43.7176.6-16648.1000112.1L203 I204 D205 R209 G210 F212 P217L203-N207 VanDerWaalsContact O-CB 3.23Å; L203-N207 WeakPolarHBondContact O-CB 3.25Å; L203-N207 PolarHBondContact O-N 2.98Å; I204-N207 PolarHBondContact O-N 2.68Å; D205-N207 VanDerWaalsContact C-N 3.33Å; D205-N207 PolarHBondContact O-N 2.77Å; N207-R209 PolarHBondContact O-N 3.12Å; N207-G210 WeakPolarHBondContact O-CA 3.47Å; N207-G210 PolarHBondContact O-N 3.34Å; N207-F212 HydrophobicContact CB-CD2 3.92Å; N207-P217 HydrophobicContact CB-CG 4.32Å
208Q96.8Very high96.4Very high154 Ų15453.7 Ų53.772%0.7227%0.272SS*.Hα-helixtrans-63-29.9175.8-73.7176.4-7.400112.7I204 D205 G210I204-Q208 HydrophobicContact CG2-CG 4.3Å; I204-Q208 WeakPolarHBondContact O-CB 3.27Å; I204-Q208 WeakPolarHBondContact O-CG 3.46Å; I204-Q208 PolarHBondContact O-N 3.49Å; D205-Q208 PolarHBondContact O-N 3.35Å; Q208-G210 PolarHBondContact O-N 3.45Å
209R96.1Very high96.4Very high117 Ų11754 Ų5444%0.44227%0.274SS..THydrogen-bonded Turntrans-74-4.9171.3-67.8170.1-170.2-81.6-10.3113.7D205 L206 N207 W211D205-R209 VanDerWaalsContact O-CG 3.25Å; D205-R209 WeakPolarHBondContact O-CG 3.2Å; D205-R209 PolarHBondContact O-N 3.47Å; D205-R209 VanDerWaalsContact O-N 3.09Å; D205-R209 IonicContact OD1-CZ 3.85Å; D205-R209 VanDerWaalsContact OD1-CZ 3.29Å; D205-R209 IonicContact OD1-NE 2.74Å; D205-R209 PolarHBondContact OD1-NE 2.73Å; D205-R209 IonicContact OD1-NH2 2.82Å; D205-R209 PolarHBondContact OD1-NH2 2.91Å; D205-R209 IonicContact OD2-CZ 3.66Å; D205-R209 IonicContact OD2-NE 3.36Å; D205-R209 PolarHBondContact OD2-NE 2.89Å; D205-R209 IonicContact OD2-NH2 3.29Å; L206-R209 PolarHBondContact O-N 3.39Å; N207-R209 PolarHBondContact O-N 3.12Å; R209-W211 VanDerWaalsContact C-N 3.34Å; R209-W211 HydrophobicContact CB-CD2 4.1Å; R209-W211 HydrophobicContact CB-CG 4.02Å; R209-W211 PolarHBondContact O-NE1 3.47Å
210G96.8Very high96.5Very high27 Ų2757.3 Ų57.328%0.27829%0.293SS..THydrogen-bonded Turntrans74.817.7-176.900000114I17 S21 L206 N207 Q208 F212 Q213I17-G210 VanDerWaalsContact CG2-O 3.23Å; I17-G210 WeakPolarHBondContact CG2-O 3.37Å; S21-G210 PolarHBondContact OG-O 3.2Å; L206-G210 PolarHBondContact O-N 3.49Å; N207-G210 WeakPolarHBondContact O-CA 3.47Å; N207-G210 PolarHBondContact O-N 3.34Å; Q208-G210 PolarHBondContact O-N 3.45Å; G210-F212 VanDerWaalsContact C-N 3.28Å; G210-F212 PolarHBondContact O-N 2.84Å; G210-Q213 WeakPolarHBondContact O-CG 3.23Å
211W97.6Very high96.6Very high16 Ų1657.6 Ų57.66%0.06129%0.294CS..THydrogen-bonded Turntrans-82.4-4.5-173-640.2000114.2F20 S21 L24 L36 K40 L206 R209 Q213F20-W211 HydrophobicContact CB-CD2 3.64Å; F20-W211 HydrophobicContact CB-CE3 4.15Å; F20-W211 HydrophobicContact CB-CG 3.87Å; F20-W211 HydrophobicContact CB-CZ2 4.11Å; F20-W211 HydrophobicContact CD1-CH2 4.02Å; F20-W211 HydrophobicContact CD1-CZ2 4.11Å; F20-W211 HydrophobicContact CD1-CZ3 4.26Å; F20-W211 AromaticContact CD2-CE2 3.69Å; F20-W211 HydrophobicContact CD2-CH2 4.19Å; F20-W211 AromaticContact CD2-CZ2 3.48Å; F20-W211 HydrophobicContact CD2-CZ2 3.48Å; F20-W211 VanDerWaalsContact CD2-CZ2 3.48Å; F20-W211 AromaticContact CD2-NE1 3.88Å; F20-W211 HydrophobicContact CE1-CH2 4.2Å; F20-W211 HydrophobicContact CE1-CZ2 4.42Å; F20-W211 HydrophobicContact CE2-CH2 4.34Å; F20-W211 AromaticContact CE2-CZ2 3.82Å; F20-W211 HydrophobicContact CE2-CZ2 3.82Å; F20-W211 HydrophobicContact CG-CD2 4.09Å; F20-W211 AromaticContact CG-CE2 3.66Å; F20-W211 HydrophobicContact CG-CE3 4.4Å; F20-W211 HydrophobicContact CG-CH2 4.03Å; F20-W211 AromaticContact CG-CZ2 3.64Å; F20-W211 HydrophobicContact CG-CZ2 3.64Å; F20-W211 HydrophobicContact CG-CZ3 4.4Å; F20-W211 HydrophobicContact CZ-CH2 4.34Å; F20-W211 HydrophobicContact CZ-CZ2 4.28Å; S21-W211 WeakPolarHBondContact CA-O 2.99Å; S21-W211 WeakPolarHBondContact OG-CA 3.47Å; S21-W211 PolarHBondContact OG-O 3.29Å; L24-W211 HydrophobicContact CD2-CB 4.12Å; L36-W211 HydrophobicContact CD2-CE3 4.1Å; L36-W211 HydrophobicContact CD2-CH2 4.2Å; L36-W211 HydrophobicContact CD2-CZ3 3.46Å; L36-W211 VanDerWaalsContact CD2-CZ3 3.46Å; K40-W211 HydrophobicContact CD-CH2 4.25Å; K40-W211 HydrophobicContact CD-CZ3 4.01Å; L206-W211 HydrophobicContact CD2-CD2 4.49Å; L206-W211 HydrophobicContact CD2-CE3 3.52Å; L206-W211 HydrophobicContact CD2-CZ3 3.7Å; L206-W211 WeakPolarHBondContact O-CB 3.42Å; L206-W211 PolarHBondContact O-N 3.26Å; R209-W211 VanDerWaalsContact C-N 3.34Å; R209-W211 HydrophobicContact CB-CD2 4.1Å; R209-W211 HydrophobicContact CB-CG 4.02Å; R209-W211 PolarHBondContact O-NE1 3.47Å; W211-Q213 VanDerWaalsContact C-N 3.35Å; W211-Q213 PolarHBondContact O-N 2.82Å
212F97Very high96.8Very high14 Ų1452.2 Ų52.26%0.06127%0.265CS..THydrogen-bonded Turntrans-94.236.7173.4-78-69.8000112.8L24 Y172 F173 L203 L206 N207 G210 Y214 G215 P217L24-F212 HydrophobicContact CD2-CD1 4.4Å; L24-F212 HydrophobicContact CD2-CE1 4.09Å; L24-F212 HydrophobicContact CD2-CZ 4.17Å; Y172-F212 AromaticContact CD2-CE1 3.72Å; Y172-F212 HydrophobicContact CD2-CE1 3.72Å; Y172-F212 AromaticContact CD2-CZ 4Å; Y172-F212 HydrophobicContact CD2-CZ 4Å; Y172-F212 HydrophobicContact CE2-CZ 4.41Å; Y172-F212 AromaticContact CG-CE1 3.94Å; Y172-F212 HydrophobicContact CG-CE1 3.94Å; Y172-F212 HydrophobicContact CG-CZ 4.42Å; F173-F212 AromaticContact CE1-CD1 3.9Å; F173-F212 HydrophobicContact CE1-CD1 3.9Å; F173-F212 HydrophobicContact CE1-CE1 4.12Å; F173-F212 HydrophobicContact CE2-CE1 4.22Å; F173-F212 AromaticContact CZ-CD1 3.79Å; F173-F212 HydrophobicContact CZ-CD1 3.79Å; F173-F212 AromaticContact CZ-CE1 3.55Å; F173-F212 HydrophobicContact CZ-CE1 3.55Å; L203-F212 HydrophobicContact CD2-CE2 4.4Å; L203-F212 HydrophobicContact CD2-CZ 3.98Å; L206-F212 HydrophobicContact CB-CD2 4.17Å; L206-F212 HydrophobicContact CB-CE2 3.65Å; L206-F212 HydrophobicContact CB-CZ 4.46Å; L206-F212 HydrophobicContact CD1-CE2 4.45Å; N207-F212 HydrophobicContact CB-CD2 3.92Å; G210-F212 VanDerWaalsContact C-N 3.28Å; G210-F212 PolarHBondContact O-N 2.84Å; F212-Y214 PolarHBondContact O-N 3.26Å; F212-Y214 VanDerWaalsContact O-N 3.07Å; F212-G215 PolarHBondContact O-N 3.48Å; F212-P217 HydrophobicContact CB-CG 4.37Å; F212-P217 HydrophobicContact CD1-CB 4.11Å; F212-P217 HydrophobicContact CD1-CG 4.29Å; F212-P217 HydrophobicContact CD2-CB 3.83Å; F212-P217 HydrophobicContact CD2-CG 3.63Å; F212-P217 HydrophobicContact CE1-CB 3.89Å; F212-P217 HydrophobicContact CE2-CB 3.56Å; F212-P217 HydrophobicContact CE2-CG 3.88Å; F212-P217 HydrophobicContact CG-CB 4.1Å; F212-P217 HydrophobicContact CG-CG 3.85Å; F212-P217 HydrophobicContact CZ-CB 3.61Å; F212-P217 HydrophobicContact CZ-CG 4.35Å
213Q96.9Very high97Very high84 Ų8452 Ų5239%0.39327%0.266SS..THydrogen-bonded Turntrans-57-25.5176.4-68.9-176.5-26.300114.1I17 S21 G210 W211I17-Q213 HydrophobicContact CG2-CG 4.33Å; S21-Q213 WeakPolarHBondContact OG-CG 3.33Å; S21-Q213 PolarHBondContact OG-OE1 3.39Å; G210-Q213 WeakPolarHBondContact O-CG 3.23Å; W211-Q213 VanDerWaalsContact C-N 3.35Å; W211-Q213 PolarHBondContact O-N 2.82Å
214Y96.3Very high97.1Very high91 Ų9157.4 Ų57.436%0.35729%0.292SS..THydrogen-bonded Turntrans-125.119.4-173.5-50.5-65.5000113.4H18 K25 F212H18-Y214 PolarHBondContact CE1-OH 3.22Å; H18-Y214 PolarHBondContact ND1-OH 3.32Å; K25-Y214 HydrophobicContact CD-CG 4.34Å; F212-Y214 PolarHBondContact O-N 3.26Å; F212-Y214 VanDerWaalsContact O-N 3.07Å
215G96.5Very high97.1Very high23 Ų2354.1 Ų54.124%0.23728%0.276CS..  trans-152.3165.3179.800000111.8Y172 F212Y172-G215 CarbonylContact O-C 3.57Å; Y172-G215 WeakPolarHBondContact O-CA 3.41Å; F212-G215 PolarHBondContact O-N 3.48Å
216N96.7Very high97.2Very high79 Ų7951.8 Ų51.842%0.42226%0.264SS..  trans-120.6109.2175.8-171.5-20.3000109Y172 D218 I221Y172-N216 WeakPolarHBondContact CA-O 3.42Å; Y172-N216 PolarHBondContact O-N 3.37Å; N216-D218 VanDerWaalsContact C-N 3.25Å; N216-D218 PolarHBondContact O-N 3.22Å; N216-D218 WeakPolarHBondContact OD1-CB 3.37Å; N216-D218 PolarHBondContact OD1-N 3.1Å; N216-D218 VanDerWaalsContact OD1-N 3.14Å; N216-I221 HydrophobicContact CB-CD1 3.85Å; N216-I221 VanDerWaalsContact CG-CD1 3.43Å; N216-I221 WeakPolarHBondContact ND2-CD1 3.38Å
217P96.8Very high97.3Very high18 Ų1857.5 Ų57.512%0.11729%0.29CS..  trans-84.79.5-174.836.4-37.6000114.1Y172 L203 N207 F212 P219Y172-P217 HydrophobicContact CD1-CB 4.4Å; L203-P217 HydrophobicContact CB-CB 4.26Å; L203-P217 HydrophobicContact CD1-CB 4.49Å; N207-P217 HydrophobicContact CB-CG 4.32Å; F212-P217 HydrophobicContact CB-CG 4.37Å; F212-P217 HydrophobicContact CD1-CB 4.11Å; F212-P217 HydrophobicContact CD1-CG 4.29Å; F212-P217 HydrophobicContact CD2-CB 3.83Å; F212-P217 HydrophobicContact CD2-CG 3.63Å; F212-P217 HydrophobicContact CE1-CB 3.89Å; F212-P217 HydrophobicContact CE2-CB 3.56Å; F212-P217 HydrophobicContact CE2-CG 3.88Å; F212-P217 HydrophobicContact CG-CB 4.1Å; F212-P217 HydrophobicContact CG-CG 3.85Å; F212-P217 HydrophobicContact CZ-CB 3.61Å; F212-P217 HydrophobicContact CZ-CG 4.35Å; P217-P219 VanDerWaalsContact O-CD 3.23Å; P217-P219 WeakPolarHBondContact O-CD 3.41Å
218D96.8Very high97.3Very high61 Ų6158.2 Ų58.233%0.32630%0.298SS..  trans-72.3117.4179.8-177.2-1.3000111N216 L220 I221N216-D218 VanDerWaalsContact C-N 3.25Å; N216-D218 PolarHBondContact O-N 3.22Å; N216-D218 WeakPolarHBondContact OD1-CB 3.37Å; N216-D218 PolarHBondContact OD1-N 3.1Å; N216-D218 VanDerWaalsContact OD1-N 3.14Å; D218-L220 VanDerWaalsContact C-N 3.3Å; D218-L220 PolarHBondContact O-N 2.99Å; D218-L220 WeakPolarHBondContact OD1-CB 3.23Å; D218-L220 PolarHBondContact OD1-N 3.49Å; D218-I221 HydrophobicContact CB-CD1 4.46Å; D218-I221 HydrophobicContact CB-CG1 4.03Å; D218-I221 HydrophobicContact CB-CG2 4.45Å; D218-I221 WeakPolarHBondContact O-CG1 3.38Å
219P97.6Very high97.4Very high6 Ų651.7 Ų51.74%0.03927%0.269CS..Hα-helixtrans-72.2-22.8177.3-15.831.6000113.4F171 F198 I200 P217 Y222 V223 W236 I252F171-P219 HydrophobicContact CZ-CB 4.4Å; F198-P219 HydrophobicContact CD2-CG 4.29Å; F198-P219 HydrophobicContact CE1-CB 4.31Å; F198-P219 HydrophobicContact CE2-CB 3.92Å; F198-P219 HydrophobicContact CE2-CG 3.47Å; F198-P219 VanDerWaalsContact CE2-CG 3.47Å; F198-P219 HydrophobicContact CZ-CB 3.54Å; F198-P219 HydrophobicContact CZ-CG 3.67Å; I200-P219 HydrophobicContact CD1-CG 3.92Å; P217-P219 VanDerWaalsContact O-CD 3.23Å; P217-P219 WeakPolarHBondContact O-CD 3.41Å; P219-Y222 WeakPolarHBondContact O-CB 3.36Å; P219-Y222 PolarHBondContact O-N 2.92Å; P219-Y222 VanDerWaalsContact O-N 3.15Å; P219-V223 WeakPolarHBondContact O-CG2 3.45Å; P219-V223 PolarHBondContact O-N 2.87Å; P219-W236 HydrophobicContact CB-CH2 3.54Å; P219-W236 HydrophobicContact CB-CZ2 4.14Å; P219-W236 HydrophobicContact CB-CZ3 3.91Å; P219-W236 HydrophobicContact CG-CH2 3.84Å; P219-W236 HydrophobicContact CG-CZ2 4.26Å; P219-I252 HydrophobicContact CB-CD1 4.29Å
220L97.3Very high97.4Very high101 Ų10147.9 Ų47.953%0.52927%0.266SS..Hα-helixtrans-67.4-40.2-178.5-67.3173.6000111.5D218 Y222 V223 M224 W236D218-L220 VanDerWaalsContact C-N 3.3Å; D218-L220 PolarHBondContact O-N 2.99Å; D218-L220 WeakPolarHBondContact OD1-CB 3.23Å; D218-L220 PolarHBondContact OD1-N 3.49Å; L220-Y222 PolarHBondContact O-N 3.31Å; L220-V223 PolarHBondContact O-N 2.91Å; L220-M224 WeakPolarHBondContact O-CG 3.31Å; L220-M224 PolarHBondContact O-N 3.34Å; L220-W236 HydrophobicContact CD2-CZ3 3.89Å; L220-W236 HydrophobicContact CG-CZ3 4.46Å
221I97.3Very high97.5Very high54 Ų5447 Ų4728%0.27726%0.255SS..Hα-helixtrans-62.2-29.3174.461.7162.1000112.1L177 N216 D218 A225L177-I221 HydrophobicContact CD1-CB 4.35Å; L177-I221 HydrophobicContact CD1-CD1 3.78Å; L177-I221 HydrophobicContact CD1-CG1 3.93Å; N216-I221 HydrophobicContact CB-CD1 3.85Å; N216-I221 VanDerWaalsContact CG-CD1 3.43Å; N216-I221 WeakPolarHBondContact ND2-CD1 3.38Å; D218-I221 HydrophobicContact CB-CD1 4.46Å; D218-I221 HydrophobicContact CB-CG1 4.03Å; D218-I221 HydrophobicContact CB-CG2 4.45Å; D218-I221 WeakPolarHBondContact O-CG1 3.38Å; I221-A225 VanDerWaalsContact O-CB 3.3Å; I221-A225 WeakPolarHBondContact O-CB 3.25Å; I221-A225 PolarHBondContact O-N 3.31Å; I221-A225 VanDerWaalsContact O-N 3.08Å
222Y98.3Very high97.4Very high1 Ų149.2 Ų49.20%0.00427%0.268CS..Hα-helixtrans-72.9-44.2176.2-178.2-100.1000111.2H167 F171 W174 L177 L181 T196 P219 L220 A225 L226 I252H167-Y222 AromaticContact CE1-CZ 3.83Å; H167-Y222 AromaticContact NE2-CE2 3.97Å; H167-Y222 AromaticContact NE2-CZ 3.55Å; H167-Y222 PolarHBondContact NE2-OH 2.91Å; F171-Y222 HydrophobicContact CB-CD2 3.69Å; F171-Y222 HydrophobicContact CB-CE2 3.67Å; F171-Y222 HydrophobicContact CD1-CD2 4.14Å; F171-Y222 HydrophobicContact CD1-CE2 4.34Å; F171-Y222 HydrophobicContact CD1-CG 4.28Å; F171-Y222 AromaticContact CD2-CD2 3.51Å; F171-Y222 HydrophobicContact CD2-CD2 3.51Å; F171-Y222 HydrophobicContact CD2-CE2 4.33Å; F171-Y222 AromaticContact CD2-CG 3.77Å; F171-Y222 HydrophobicContact CD2-CG 3.77Å; F171-Y222 HydrophobicContact CE1-CD1 4.45Å; F171-Y222 HydrophobicContact CE1-CG 4.31Å; F171-Y222 VanDerWaalsContact CE2-CB 3.46Å; F171-Y222 HydrophobicContact CE2-CD2 4.1Å; F171-Y222 AromaticContact CE2-CG 3.86Å; F171-Y222 HydrophobicContact CE2-CG 3.86Å; F171-Y222 AromaticContact CG-CD2 3.51Å; F171-Y222 HydrophobicContact CG-CD2 3.51Å; F171-Y222 AromaticContact CG-CE2 3.88Å; F171-Y222 HydrophobicContact CG-CE2 3.88Å; F171-Y222 AromaticContact CG-CG 3.97Å; F171-Y222 HydrophobicContact CG-CG 3.97Å; F171-Y222 HydrophobicContact CZ-CG 4.1Å; W174-Y222 HydrophobicContact CZ3-CE2 4.1Å; L177-Y222 HydrophobicContact CD2-CD2 4.03Å; L181-Y222 HydrophobicContact CD1-CE2 4.36Å; L181-Y222 HydrophobicContact CD2-CE2 3.89Å; L181-Y222 HydrophobicContact CG-CE2 4.46Å; T196-Y222 HydrophobicContact CG2-CD1 4.21Å; T196-Y222 HydrophobicContact CG2-CE1 3.57Å; P219-Y222 WeakPolarHBondContact O-CB 3.36Å; P219-Y222 PolarHBondContact O-N 2.92Å; P219-Y222 VanDerWaalsContact O-N 3.15Å; L220-Y222 PolarHBondContact O-N 3.31Å; Y222-A225 PolarHBondContact O-N 2.97Å; Y222-L226 HydrophobicContact CD1-CD1 3.8Å; Y222-L226 HydrophobicContact CD1-CG 4.36Å; Y222-L226 HydrophobicContact CE1-CD1 3.49Å; Y222-L226 VanDerWaalsContact CE1-CD1 3.49Å; Y222-L226 HydrophobicContact CE1-CD2 4.39Å; Y222-L226 HydrophobicContact CE1-CG 4.05Å; Y222-L226 WeakPolarHBondContact O-CG 3.38Å; Y222-L226 PolarHBondContact O-N 2.95Å; Y222-I252 HydrophobicContact CD1-CD1 4.1Å
223V98.4Very high97.4Very high25 Ų2554.5 Ų54.515%0.15229%0.293CS..Hα-helixtrans-59.1-48.3173.2174.50000111.4P219 L220 A225 L226 E227 I234 W236 I252P219-V223 WeakPolarHBondContact O-CG2 3.45Å; P219-V223 PolarHBondContact O-N 2.87Å; L220-V223 PolarHBondContact O-N 2.91Å; V223-A225 VanDerWaalsContact C-N 3.28Å; V223-A225 PolarHBondContact O-N 3.17Å; V223-L226 WeakPolarHBondContact O-CB 3.49Å; V223-L226 PolarHBondContact O-N 2.9Å; V223-L226 VanDerWaalsContact O-N 3.09Å; V223-E227 PolarHBondContact O-N 2.82Å; V223-I234 HydrophobicContact CG1-CG2 4.19Å; V223-W236 HydrophobicContact CG2-CE3 4.33Å; V223-I252 HydrophobicContact CG2-CD1 3.71Å
224M98Very high97.4Very high117 Ų11752.4 Ų52.458%0.57628%0.284SS*.Hα-helixtrans-60.2-38.8177.5-67.4174.57100112.2L220 E227 T228L220-M224 WeakPolarHBondContact O-CG 3.31Å; L220-M224 PolarHBondContact O-N 3.34Å; M224-E227 PolarHBondContact O-N 3.49Å; M224-T228 WeakPolarHBondContact O-CB 3.21Å; M224-T228 PolarHBondContact O-N 3.45Å; M224-T228 PolarHBondContact O-OG1 3.35Å
225A98.4Very high97.5Very high7 Ų752 Ų526%0.05829%0.288CS..Hα-helixtrans-69.4-33176.700000112.4L177 L181 I221 Y222 V223 C229L177-A225 HydrophobicContact CB-CB 3.71Å; L177-A225 HydrophobicContact CD1-CB 4.35Å; L181-A225 HydrophobicContact CD1-CB 3.6Å; I221-A225 VanDerWaalsContact O-CB 3.3Å; I221-A225 WeakPolarHBondContact O-CB 3.25Å; I221-A225 PolarHBondContact O-N 3.31Å; I221-A225 VanDerWaalsContact O-N 3.08Å; Y222-A225 PolarHBondContact O-N 2.97Å; V223-A225 VanDerWaalsContact C-N 3.28Å; V223-A225 PolarHBondContact O-N 3.17Å; A225-C229 WeakPolarHBondContact O-CB 3.4Å; A225-C229 PolarHBondContact O-N 2.99Å; A225-C229 VanDerWaalsContact O-N 3.09Å; A225-C229 PolarHBondContact O-SG 2.92Å
226L98.7Very high97.5Very high1 Ų155.8 Ų55.81%0.00530%0.295CS..Hα-helixtrans-62.1-50.2172.5-73.8167.2000111.1L181 L194 Y222 V223 T228 C229 G230 F231 I234 I252 A254L181-L226 HydrophobicContact CD1-CD2 4.05Å; L181-L226 HydrophobicContact CD1-CG 4.11Å; L181-L226 HydrophobicContact CD2-CD2 3.56Å; L181-L226 HydrophobicContact CD2-CG 4.4Å; L181-L226 HydrophobicContact CG-CD2 4.41Å; L194-L226 HydrophobicContact CD2-CD2 3.63Å; Y222-L226 HydrophobicContact CD1-CD1 3.8Å; Y222-L226 HydrophobicContact CD1-CG 4.36Å; Y222-L226 HydrophobicContact CE1-CD1 3.49Å; Y222-L226 VanDerWaalsContact CE1-CD1 3.49Å; Y222-L226 HydrophobicContact CE1-CD2 4.39Å; Y222-L226 HydrophobicContact CE1-CG 4.05Å; Y222-L226 WeakPolarHBondContact O-CG 3.38Å; Y222-L226 PolarHBondContact O-N 2.95Å; V223-L226 WeakPolarHBondContact O-CB 3.49Å; V223-L226 PolarHBondContact O-N 2.9Å; V223-L226 VanDerWaalsContact O-N 3.09Å; L226-T228 VanDerWaalsContact C-N 3.32Å; L226-T228 PolarHBondContact O-N 3.2Å; L226-C229 PolarHBondContact O-N 3.48Å; L226-C229 VanDerWaalsContact O-N 3.14Å; L226-G230 PolarHBondContact O-N 3.43Å; L226-F231 HydrophobicContact CB-CB 4.23Å; L226-F231 HydrophobicContact CB-CD2 4.4Å; L226-F231 HydrophobicContact CD2-CB 4.38Å; L226-F231 HydrophobicContact CD2-CD1 4.39Å; L226-F231 HydrophobicContact CD2-CD2 3.66Å; L226-F231 HydrophobicContact CD2-CE2 3.98Å; L226-F231 HydrophobicContact CD2-CG 3.89Å; L226-F231 HydrophobicContact CD2-CZ 4.47Å; L226-F231 WeakPolarHBondContact O-CB 3.39Å; L226-F231 PolarHBondContact O-N 3.27Å; L226-F231 VanDerWaalsContact O-N 3.13Å; L226-I234 HydrophobicContact CB-CD1 3.73Å; L226-I234 HydrophobicContact CB-CG1 4.5Å; L226-I234 HydrophobicContact CD1-CG2 4.2Å; L226-I252 HydrophobicContact CD1-CG2 3.89Å; L226-A254 HydrophobicContact CD1-CB 4Å; L226-A254 HydrophobicContact CD2-CB 4.03Å
227E97.5Very high97.5Very high123 Ų12354.8 Ų54.858%0.57529%0.29SS*.Hα-helixtrans-57.4-46.8176.8-69.3179.1152.500111.1V223 M224 C229 G230 I234V223-E227 PolarHBondContact O-N 2.82Å; M224-E227 PolarHBondContact O-N 3.49Å; E227-C229 PolarHBondContact O-N 3.44Å; E227-G230 PolarHBondContact O-N 3.41Å; E227-I234 HydrophobicContact CB-CD1 4.35Å; E227-I234 HydrophobicContact CG-CD1 3.44Å; E227-I234 VanDerWaalsContact CG-CD1 3.44Å
228T97.9Very high97.3Very high104 Ų10459.7 Ų59.764%0.63831%0.309SS*.Hα-helixtrans-59-34.1178.3-58.70000112.5T178 M224 L226 G230T178-T228 HydrophobicContact CG2-CG2 4.35Å; M224-T228 WeakPolarHBondContact O-CB 3.21Å; M224-T228 PolarHBondContact O-N 3.45Å; M224-T228 PolarHBondContact O-OG1 3.35Å; L226-T228 VanDerWaalsContact C-N 3.32Å; L226-T228 PolarHBondContact O-N 3.2Å; T228-G230 VanDerWaalsContact C-N 3.26Å; T228-G230 PolarHBondContact O-N 3.46Å
229C97.9Very high96.9Very high16 Ų1658.9 Ų58.911%0.10830%0.303CS..THydrogen-bonded Turntrans-82.40.9178.8-72.80000113.9T178 L181 A225 L226 E227 F231T178-C229 PolarHBondContact O-SG 3.3Å; L181-C229 HydrophobicContact CB-CB 4.19Å; A225-C229 WeakPolarHBondContact O-CB 3.4Å; A225-C229 PolarHBondContact O-N 2.99Å; A225-C229 VanDerWaalsContact O-N 3.09Å; A225-C229 PolarHBondContact O-SG 2.92Å; L226-C229 PolarHBondContact O-N 3.48Å; L226-C229 VanDerWaalsContact O-N 3.14Å; E227-C229 PolarHBondContact O-N 3.44Å; C229-F231 HydrophobicContact CB-CD2 3.96Å; C229-F231 HydrophobicContact CB-CE2 4.15Å
230G96.8Very high96.4Very high37 Ų3763.2 Ų63.238%0.38132%0.323SS..THydrogen-bonded Turntrans78.124.1179.700000113.9W185 L226 E227 T228 P257W185-G230 PolarHBondContact NE1-O 3.4Å; L226-G230 PolarHBondContact O-N 3.43Å; E227-G230 PolarHBondContact O-N 3.41Å; T228-G230 VanDerWaalsContact C-N 3.26Å; T228-G230 PolarHBondContact O-N 3.46Å; G230-P257 VanDerWaalsContact O-CD 3.22Å; G230-P257 WeakPolarHBondContact O-CD 3.3Å
231F98.4Very high95.8Very high9 Ų958.5 Ų58.54%0.03930%0.298CS..  trans-71.9146.4159.9-71.6-91.2000109.4L181 I184 W185 L188 L194 L226 C229 I234 A254 H255L181-F231 HydrophobicContact CB-CE2 4.27Å; L181-F231 HydrophobicContact CD2-CE2 4.39Å; I184-F231 HydrophobicContact CG2-CZ 4.37Å; W185-F231 HydrophobicContact CB-CE2 3.89Å; W185-F231 HydrophobicContact CB-CZ 3.85Å; W185-F231 AromaticContact CD1-CE2 3.87Å; W185-F231 HydrophobicContact CG-CE2 4.33Å; W185-F231 HydrophobicContact CG-CZ 4.35Å; L188-F231 HydrophobicContact CD1-CE1 3.79Å; L188-F231 HydrophobicContact CD1-CZ 4.25Å; L194-F231 HydrophobicContact CB-CD1 4.48Å; L194-F231 HydrophobicContact CB-CE1 3.84Å; L194-F231 HydrophobicContact CB-CZ 4.42Å; L194-F231 HydrophobicContact CD2-CE1 3.93Å; L194-F231 HydrophobicContact CD2-CE2 4.29Å; L194-F231 HydrophobicContact CD2-CZ 3.7Å; L226-F231 HydrophobicContact CB-CB 4.23Å; L226-F231 HydrophobicContact CB-CD2 4.4Å; L226-F231 HydrophobicContact CD2-CB 4.38Å; L226-F231 HydrophobicContact CD2-CD1 4.39Å; L226-F231 HydrophobicContact CD2-CD2 3.66Å; L226-F231 HydrophobicContact CD2-CE2 3.98Å; L226-F231 HydrophobicContact CD2-CG 3.89Å; L226-F231 HydrophobicContact CD2-CZ 4.47Å; L226-F231 WeakPolarHBondContact O-CB 3.39Å; L226-F231 PolarHBondContact O-N 3.27Å; L226-F231 VanDerWaalsContact O-N 3.13Å; C229-F231 HydrophobicContact CB-CD2 3.96Å; C229-F231 HydrophobicContact CB-CE2 4.15Å; F231-I234 HydrophobicContact CB-CD1 4.3Å; F231-I234 HydrophobicContact CB-CG1 4.39Å; F231-A254 HydrophobicContact CB-CB 4.08Å; F231-A254 HydrophobicContact CD1-CB 3.96Å; F231-A254 HydrophobicContact CG-CB 4.23Å; F231-H255 WeakPolarHBondContact CA-O 3.38Å; F231-H255 WeakPolarHBondContact CD1-O 3.39Å
232N96Very high95Very high62 Ų6261.5 Ų61.533%0.33231%0.31SS..EExtended strand (participates in β ladder)trans-127.8177.4175.269.3-2.3000110.4I234 H255N232-I234 VanDerWaalsContact C-N 3.27Å; N232-I234 PolarHBondContact O-N 2.93Å; N232-H255 PolarHBondContact N-O 3.33Å; N232-H255 PolarHBondContact O-N 3.46Å; N232-H255 PolarHBondContact OD1-O 2.85Å
233Q96.4Very high94.2Very high126 Ų12667.2 Ų67.259%0.58934%0.335SS*.EExtended strand (participates in β ladder)trans47.554.4-177.9-61.6178.1-19.100110.7D235 H255Q233-D235 PolarHBondContact O-N 2.89Å; Q233-H255 HydrophobicContact CB-CB 4.3Å; Q233-H255 PolarHBondContact O-ND1 3.4Å
234I97.9Very high93.4Very high39 Ų3967.9 Ų67.920%0.234%0.337CS..EExtended strand (participates in β ladder)trans-8898.9-177.6-57.4166.5000107.5V223 L226 E227 F231 N232 I252 I253 A254V223-I234 HydrophobicContact CG1-CG2 4.19Å; L226-I234 HydrophobicContact CB-CD1 3.73Å; L226-I234 HydrophobicContact CB-CG1 4.5Å; L226-I234 HydrophobicContact CD1-CG2 4.2Å; E227-I234 HydrophobicContact CB-CD1 4.35Å; E227-I234 HydrophobicContact CG-CD1 3.44Å; E227-I234 VanDerWaalsContact CG-CD1 3.44Å; F231-I234 HydrophobicContact CB-CD1 4.3Å; F231-I234 HydrophobicContact CB-CG1 4.39Å; N232-I234 VanDerWaalsContact C-N 3.27Å; N232-I234 PolarHBondContact O-N 2.93Å; I234-I252 HydrophobicContact CG2-CG2 4.01Å; I234-I253 CarbonylContact C-O 3.58Å; I234-I253 VanDerWaalsContact CA-O 3.31Å; I234-I253 WeakPolarHBondContact CA-O 3.49Å; I234-A254 HydrophobicContact CG1-CB 3.92Å
235D97.5Very high92.6Very high84 Ų8467.5 Ų67.545%0.44934%0.337SS..EExtended strand (participates in β ladder)trans-97.4129.4178.6-61.3-45.1000109.5Q233 L237 I252 I253Q233-D235 PolarHBondContact O-N 2.89Å; D235-L237 HydrophobicContact CB-CD2 4.34Å; D235-I252 CarbonylContact O-C 3.51Å; D235-I252 VanDerWaalsContact O-CA 3.29Å; D235-I252 WeakPolarHBondContact O-CA 3.46Å; D235-I253 PolarHBondContact N-O 2.97Å; D235-I253 PolarHBondContact O-N 3.42Å
236W97Very high91.9Very high102 Ų10274.9 Ų74.939%0.38638%0.375SS..EExtended strand (participates in β ladder)trans-107.8110164.3-173.8-16000108.6F198 P219 L220 V223 D250 C251 I252F198-W236 AromaticContact CE2-CZ2 3.9Å; F198-W236 HydrophobicContact CE2-CZ2 3.9Å; F198-W236 AromaticContact CZ-CE2 3.98Å; F198-W236 HydrophobicContact CZ-CH2 4.43Å; F198-W236 AromaticContact CZ-CZ2 3.8Å; F198-W236 HydrophobicContact CZ-CZ2 3.8Å; P219-W236 HydrophobicContact CB-CH2 3.54Å; P219-W236 HydrophobicContact CB-CZ2 4.14Å; P219-W236 HydrophobicContact CB-CZ3 3.91Å; P219-W236 HydrophobicContact CG-CH2 3.84Å; P219-W236 HydrophobicContact CG-CZ2 4.26Å; L220-W236 HydrophobicContact CD2-CZ3 3.89Å; L220-W236 HydrophobicContact CG-CZ3 4.46Å; V223-W236 HydrophobicContact CG2-CE3 4.33Å; W236-D250 PolarHBondContact NE1-OD1 3.17Å; W236-C251 WeakPolarHBondContact CA-O 3.31Å; W236-I252 HydrophobicContact CB-CG1 4.22Å; W236-I252 HydrophobicContact CD2-CD1 4.4Å; W236-I252 HydrophobicContact CD2-CG1 4.16Å; W236-I252 HydrophobicContact CE3-CD1 4.39Å; W236-I252 HydrophobicContact CG-CG1 3.98Å
237L95.8Very high91.3Very high58 Ų5877.9 Ų77.930%0.30439%0.389SS..EExtended strand (participates in β ladder)trans-128.9168.4-175.96084000112.3D235 Q239 C251 I253D235-L237 HydrophobicContact CB-CD2 4.34Å; L237-Q239 HydrophobicContact CD1-CB 3.72Å; L237-C251 HydrophobicContact CD1-CB 3.83Å; L237-C251 HydrophobicContact CG-CB 4.42Å; L237-C251 PolarHBondContact N-O 2.95Å; L237-C251 PolarHBondContact O-N 3.48Å; L237-I253 HydrophobicContact CD2-CD1 3.94Å
238K92.9Very high90.9Very high120 Ų12073.7 Ų73.752%0.52238%0.376SS..EExtended strand (participates in β ladder)trans-94.5105.8169.8-68.9-61.6-169.3-176.30109.1A248 Y249 D250K238-A248 HydrophobicContact CB-CB 3.8Å; K238-Y249 CarbonylContact C-O 3.56Å; K238-Y249 WeakPolarHBondContact CA-O 3.47Å; K238-D250 WeakPolarHBondContact CE-OD1 3.39Å; K238-D250 IonicContact NZ-OD1 2.9Å; K238-D250 PolarHBondContact NZ-OD1 2.91Å; K238-D250 IonicContact NZ-OD2 3.69Å; K238-D250 PolarHBondContact NZ-OD2 2.9Å
239Q89.1Confident90.7Very high44 Ų4468.8 Ų68.821%0.20635%0.346CS..EExtended strand (participates in β ladder)trans-93.5122.4-177-174.461.741.700110.6A51 A55 L237 Y249 C251A51-Q239 HydrophobicContact CB-CB 4.32Å; A51-Q239 HydrophobicContact CB-CG 3.86Å; A55-Q239 HydrophobicContact CB-CG 4.33Å; L237-Q239 HydrophobicContact CD1-CB 3.72Å; Q239-Y249 PolarHBondContact N-O 2.85Å; Q239-Y249 WeakPolarHBondContact O-CD2 3.3Å; Q239-Y249 PolarHBondContact O-N 3.34Å; Q239-C251 HydrophobicContact CB-CB 3.53Å; Q239-C251 HydrophobicContact CG-CB 4.47Å
240Q86.7Confident90.7Very high97 Ų9768.3 Ų68.345%0.45334%0.342SS..EExtended strand (participates in β ladder)trans-86.4162.1167.4-68.2178.2-23.800110.2L245 A248Q240-L245 PolarHBondContact NE2-O 3.46Å; Q240-A248 HydrophobicContact CG-CB 3.84Å
241T84.2Confident90.8Very high2 Ų266.5 Ų66.51%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-125.1149.8172.9-179.90000110.5L47 A50 D54 F243 N244 Y249L47-T241 HydrophobicContact CD2-CG2 4.26Å; A50-T241 HydrophobicContact CB-CG2 4.42Å; A50-T241 VanDerWaalsContact CB-OG1 3.29Å; A50-T241 WeakPolarHBondContact CB-OG1 3.13Å; D54-T241 PolarHBondContact OD2-OG1 3.43Å; T241-F243 HydrophobicContact CG2-CB 4.29Å; T241-F243 PolarHBondContact O-N 2.85Å; T241-F243 WeakPolarHBondContact OG1-CD2 3.46Å; T241-N244 HydrophobicContact CG2-CB 4.35Å; T241-N244 CarbonylContact O-C 3.43Å; T241-N244 PolarHBondContact O-N 3.37Å; T241-N244 VanDerWaalsContact O-O 3.11Å; T241-Y249 HydrophobicContact CG2-CE2 4.06Å
242K81Confident90.8Very high118 Ų11866.1 Ų66.151%0.51332%0.322SS..THydrogen-bonded Turntrans-55-22.5175.566.7-173.2-177.9-173.20114Y81Y81-K242 PolarHBondContact OH-NZ 2.94Å
243F81Confident90.9Very high120 Ų12063.9 Ų63.953%0.52631%0.31SS..THydrogen-bonded Turntrans-82.5-16.3178-57.8-73.3000113.9L47 A50 L77 T241L47-F243 HydrophobicContact CD2-CB 4.06Å; A50-F243 HydrophobicContact CB-CD2 3.45Å; A50-F243 VanDerWaalsContact CB-CD2 3.45Å; A50-F243 HydrophobicContact CB-CE2 3.67Å; L77-F243 HydrophobicContact CD2-CE2 4.4Å; L77-F243 HydrophobicContact CD2-CZ 4.23Å; T241-F243 HydrophobicContact CG2-CB 4.29Å; T241-F243 PolarHBondContact O-N 2.85Å; T241-F243 WeakPolarHBondContact OG1-CD2 3.46Å
244N83.1Confident91Very high39 Ų3957.9 Ų57.921%0.20928%0.282CS..EExtended strand (participates in β ladder)trans-158.197.3177.4-173.37.1000110.1L47 T241 N246 E247 Y249L47-N244 HydrophobicContact CD2-CB 4.03Å; T241-N244 HydrophobicContact CG2-CB 4.35Å; T241-N244 CarbonylContact O-C 3.43Å; T241-N244 PolarHBondContact O-N 3.37Å; T241-N244 VanDerWaalsContact O-O 3.11Å; N244-N246 VanDerWaalsContact C-N 3.28Å; N244-N246 PolarHBondContact OD1-N 2.99Å; N244-E247 WeakPolarHBondContact ND2-CB 3.33Å; N244-E247 PolarHBondContact ND2-OE2 3.27Å; N244-Y249 PolarHBondContact ND2-OH 3.5Å
245L81Confident91Very high110 Ų11057 Ų5758%0.57628%0.277SS*.EExtended strand (participates in β ladder)trans-79.9-10.9178.2-61.4175.3000113.1Q240Q240-L245 PolarHBondContact NE2-O 3.46Å
246N84Confident91.1Very high161 Ų16153.6 Ų53.686%0.86126%0.258SS*.EExtended strand (participates in β ladder)trans-88.9-9.6-176-63.4-19.1000113.1N244N244-N246 VanDerWaalsContact C-N 3.28Å; N244-N246 PolarHBondContact OD1-N 2.99Å
247E85.8Confident91Very high64 Ų6450.6 Ų50.630%0.29925%0.252SS..EExtended strand (participates in β ladder)trans-129141.4179.6-168176.9-164.900109.1Q199 N244 Y249Q199-E247 PolarHBondContact NE2-OE1 3.44Å; N244-E247 WeakPolarHBondContact ND2-CB 3.33Å; N244-E247 PolarHBondContact ND2-OE2 3.27Å; E247-Y249 HydrophobicContact CG-CE1 3.93Å; E247-Y249 PolarHBondContact OE2-OH 3.49Å
248A88.9Confident90.9Very high36 Ų3651.1 Ų51.130%0.29826%0.26SS..EExtended strand (participates in β ladder)trans-120.8143.7174.600000109.8K238 Q240K238-A248 HydrophobicContact CB-CB 3.8Å; Q240-A248 HydrophobicContact CG-CB 3.84Å
249Y94Very high90.6Very high0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-111146.8-173.2-56.6-74.2000110.4L47 L48 A51 K238 Q239 T241 N244 E247 C251L47-Y249 HydrophobicContact CB-CE1 4.21Å; L47-Y249 HydrophobicContact CB-CE2 3.9Å; L47-Y249 VanDerWaalsContact CB-OH 3.32Å; L47-Y249 WeakPolarHBondContact CB-OH 3.23Å; L47-Y249 WeakPolarHBondContact CD1-OH 3.25Å; L48-Y249 HydrophobicContact CD2-CD1 3.42Å; L48-Y249 VanDerWaalsContact CD2-CD1 3.42Å; L48-Y249 HydrophobicContact CD2-CE1 4.38Å; L48-Y249 HydrophobicContact CD2-CG 3.65Å; L48-Y249 HydrophobicContact CG-CD1 4.06Å; A51-Y249 HydrophobicContact CB-CD2 3.92Å; K238-Y249 CarbonylContact C-O 3.56Å; K238-Y249 WeakPolarHBondContact CA-O 3.47Å; Q239-Y249 PolarHBondContact N-O 2.85Å; Q239-Y249 WeakPolarHBondContact O-CD2 3.3Å; Q239-Y249 PolarHBondContact O-N 3.34Å; T241-Y249 HydrophobicContact CG2-CE2 4.06Å; N244-Y249 PolarHBondContact ND2-OH 3.5Å; E247-Y249 HydrophobicContact CG-CE1 3.93Å; E247-Y249 PolarHBondContact OE2-OH 3.49Å; Y249-C251 PolarHBondContact O-N 3.37Å
250D97.4Very high90Very high6 Ų654.5 Ų54.53%0.03229%0.29CS..EExtended strand (participates in β ladder)trans-63.9127172.1-69-76.3000108.9T197 F198 I200 W236 K238T197-D250 CarbonylContact C-O 3.38Å; T197-D250 WeakPolarHBondContact CA-O 3.42Å; F198-D250 HydrophobicContact CD1-CB 4.46Å; F198-D250 HydrophobicContact CD2-CB 3.61Å; F198-D250 HydrophobicContact CE1-CB 4.29Å; F198-D250 HydrophobicContact CE2-CB 3.4Å; F198-D250 HydrophobicContact CG-CB 4.13Å; F198-D250 HydrophobicContact CZ-CB 3.76Å; F198-D250 PolarHBondContact N-O 3.32Å; F198-D250 WeakPolarHBondContact O-CB 3.47Å; F198-D250 PolarHBondContact O-N 2.95Å; I200-D250 PolarHBondContact N-OD2 3.19Å; W236-D250 PolarHBondContact NE1-OD1 3.17Å; K238-D250 WeakPolarHBondContact CE-OD1 3.39Å; K238-D250 IonicContact NZ-OD1 2.9Å; K238-D250 PolarHBondContact NZ-OD1 2.91Å; K238-D250 IonicContact NZ-OD2 3.69Å; K238-D250 PolarHBondContact NZ-OD2 2.9Å
251C98.3Very high89.3Confident0 Ų058 Ų580%031%0.311CS..EExtended strand (participates in β ladder)trans-134.8124.3-178.6-172.60000108.9T196 T197 W236 L237 Q239 Y249T196-C251 CarbonylContact O-C 3.59Å; T196-C251 VanDerWaalsContact O-CA 3.32Å; T196-C251 WeakPolarHBondContact O-CA 3.46Å; T197-C251 HydrophobicContact CG2-CB 3.96Å; W236-C251 WeakPolarHBondContact CA-O 3.31Å; L237-C251 HydrophobicContact CD1-CB 3.83Å; L237-C251 HydrophobicContact CG-CB 4.42Å; L237-C251 PolarHBondContact N-O 2.95Å; L237-C251 PolarHBondContact O-N 3.48Å; Q239-C251 HydrophobicContact CB-CB 3.53Å; Q239-C251 HydrophobicContact CG-CB 4.47Å; Y249-C251 PolarHBondContact O-N 3.37Å
252I98.5Very high88.7Confident1 Ų166.1 Ų66.11%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-105.4124.9169.5-62.1169000107.4V195 T196 F198 P219 Y222 V223 L226 I234 D235 W236V195-I252 CarbonylContact C-O 3.57Å; V195-I252 WeakPolarHBondContact CA-O 3.4Å; T196-I252 HydrophobicContact CG2-CB 3.89Å; T196-I252 HydrophobicContact CG2-CD1 4.46Å; T196-I252 PolarHBondContact N-O 3.48Å; T196-I252 PolarHBondContact O-N 3.38Å; F198-I252 HydrophobicContact CE1-CD1 3.7Å; F198-I252 HydrophobicContact CE1-CG1 3.99Å; F198-I252 HydrophobicContact CZ-CD1 3.89Å; F198-I252 HydrophobicContact CZ-CG1 4.25Å; P219-I252 HydrophobicContact CB-CD1 4.29Å; Y222-I252 HydrophobicContact CD1-CD1 4.1Å; V223-I252 HydrophobicContact CG2-CD1 3.71Å; L226-I252 HydrophobicContact CD1-CG2 3.89Å; I234-I252 HydrophobicContact CG2-CG2 4.01Å; D235-I252 CarbonylContact O-C 3.51Å; D235-I252 VanDerWaalsContact O-CA 3.29Å; D235-I252 WeakPolarHBondContact O-CA 3.46Å; W236-I252 HydrophobicContact CB-CG1 4.22Å; W236-I252 HydrophobicContact CD2-CD1 4.4Å; W236-I252 HydrophobicContact CD2-CG1 4.16Å; W236-I252 HydrophobicContact CE3-CD1 4.39Å; W236-I252 HydrophobicContact CG-CG1 3.98Å
253I98.5Very high88Confident14 Ų1465.6 Ų65.67%0.07236%0.364CS..EExtended strand (participates in β ladder)trans-117.5124.6175.4-52.7178.5000107.1A55 V195 I234 D235 L237A55-I253 HydrophobicContact CB-CD1 3.8Å; A55-I253 HydrophobicContact CB-CG1 4.28Å; V195-I253 HydrophobicContact CG2-CG1 4.31Å; V195-I253 HydrophobicContact CG2-CG2 4.22Å; I234-I253 CarbonylContact C-O 3.58Å; I234-I253 VanDerWaalsContact CA-O 3.31Å; I234-I253 WeakPolarHBondContact CA-O 3.49Å; D235-I253 PolarHBondContact N-O 2.97Å; D235-I253 PolarHBondContact O-N 3.42Å; L237-I253 HydrophobicContact CD2-CD1 3.94Å
254A98.7Very high87.1Confident0 Ų063.9 Ų63.90%037%0.373CS..EExtended strand (participates in β ladder)trans-127.4147.7177.400000109.8R193 L194 L226 F231 I234R193-A254 CarbonylContact C-O 3.56Å; L194-A254 PolarHBondContact N-O 2.98Å; L194-A254 PolarHBondContact O-N 3.48Å; L226-A254 HydrophobicContact CD1-CB 4Å; L226-A254 HydrophobicContact CD2-CB 4.03Å; F231-A254 HydrophobicContact CB-CB 4.08Å; F231-A254 HydrophobicContact CD1-CB 3.96Å; F231-A254 HydrophobicContact CG-CB 4.23Å; I234-A254 HydrophobicContact CG1-CB 3.92Å
255H98.5Very high86Confident21 Ų2167.2 Ų67.210%0.09740%0.399CS..EExtended strand (participates in β ladder)trans-115143.3-177.5-63.684.1000111.2G192 R193 F231 N232 Q233G192-H255 WeakPolarHBondContact O-CA 3.48Å; R193-H255 PolarHBondContact NE-NE2 3.26Å; F231-H255 WeakPolarHBondContact CA-O 3.38Å; F231-H255 WeakPolarHBondContact CD1-O 3.39Å; N232-H255 PolarHBondContact N-O 3.33Å; N232-H255 PolarHBondContact O-N 3.46Å; N232-H255 PolarHBondContact OD1-O 2.85Å; Q233-H255 HydrophobicContact CB-CB 4.3Å; Q233-H255 PolarHBondContact O-ND1 3.4Å
256K98.2Very high84.9Confident12 Ų1269.7 Ų69.75%0.05241%0.411CS..PPolyproline II helixtrans-76.3128.4161.9-178.2173.2-179.5173.10108W185 L188 R189 N191 G192W185-K256 HydrophobicContact CD2-CD 4.28Å; W185-K256 HydrophobicContact CD2-CG 4.46Å; W185-K256 HydrophobicContact CZ2-CD 4.44Å; W185-K256 HydrophobicContact CZ2-CG 4.23Å; W185-K256 WeakPolarHBondContact O-CD 3.42Å; W185-K256 WeakPolarHBondContact O-CE 3.28Å; W185-K256 PolarHBondContact O-NZ 3.35Å; L188-K256 HydrophobicContact CB-CB 4.36Å; L188-K256 HydrophobicContact CB-CD 4.01Å; L188-K256 WeakPolarHBondContact O-CD 3.41Å; L188-K256 WeakPolarHBondContact O-CE 3.36Å; L188-K256 PolarHBondContact O-NZ 2.93Å; R189-K256 WeakPolarHBondContact O-CD 3.48Å; N191-K256 WeakPolarHBondContact CA-O 3.34Å; N191-K256 PolarHBondContact N-O 3.45Å; G192-K256 PolarHBondContact O-N 2.95Å
257P96.5Very high83.7Confident40 Ų4070.4 Ų70.426%0.2643%0.429SS..PPolyproline II helixtrans-56.9151.818021.8-33.2000112.1G230G230-P257 VanDerWaalsContact O-CD 3.22Å; G230-P257 WeakPolarHBondContact O-CD 3.3Å
258S92.9Very high83.6Confident68 Ų6870.8 Ų70.848%0.47644%0.435SS..PPolyproline II helixtrans-62.8154.8167.755.30000110.4N191 P260N191-S258 WeakPolarHBondContact OD1-CB 3.48Å; S258-P260 VanDerWaalsContact O-CD 3.29Å; S258-P260 WeakPolarHBondContact O-CD 3.47Å
259I86.4Confident83.3Confident132 Ų13272.6 Ų72.668%0.67744%0.443SS*.  trans-85.3111.2166.8-60.7171.6000105.9P190 L261P190-I259 HydrophobicContact CB-CG1 4.24Å; P190-I259 HydrophobicContact CG-CD1 3.62Å; P190-I259 HydrophobicContact CG-CG1 3.77Å; I259-L261 PolarHBondContact O-N 3.44Å
260P76.5Confident82.7Confident103 Ų10376.6 Ų76.667%0.66947%0.467SS*.  trans-64.5132.817626.4-31.9000108.8S258 L262S258-P260 VanDerWaalsContact O-CD 3.29Å; S258-P260 WeakPolarHBondContact O-CD 3.47Å; P260-L262 PolarHBondContact O-N 3.03Å
261L72.8Confident81.9Confident171 Ų17180.8 Ų80.890%0.89549%0.493SS*.  trans-66.8120.6164-70.5168.2000106.6I259 S263I259-L261 PolarHBondContact O-N 3.44Å; L261-S263 PolarHBondContact O-N 3.37Å
262L70.5Confident80.8Confident173 Ų17385.8 Ų85.891%0.90652%0.524SS*.  trans-61.9108164.2-72.4165.1000106P260 A264P260-L262 PolarHBondContact O-N 3.03Å; L262-A264 PolarHBondContact O-N 3.27Å
263S66.3Low79.7Confident106 Ų10691.5 Ų91.574%0.74156%0.558SS**  trans-61.1112.5163.946.80000105.7L261 S265L261-S263 PolarHBondContact O-N 3.37Å; S263-S265 PolarHBondContact O-N 2.94Å
264A62.7Low78.3Confident85 Ų8597 Ų9770%0.70259%0.593SS**  trans-59.899.9164.300000105.5L262 I266L262-A264 PolarHBondContact O-N 3.27Å; A264-I266 HydrophobicContact CB-CG1 4.42Å; A264-I266 PolarHBondContact O-N 3.32Å
265S59.6Low76.8Confident109 Ų109104.5 Ų104.576%0.76264%0.639SS**  trans-66.790.2162.728.50000104.8S263 S267S263-S265 PolarHBondContact O-N 2.94Å; S265-S267 PolarHBondContact O-N 3.4Å
266I58.8Low75Confident161 Ų161111.4 Ų111.483%0.82668%0.684SS**  trans-69.895.3163.7-58.5172.5000104.3A264A264-I266 HydrophobicContact CB-CG1 4.42Å; A264-I266 PolarHBondContact O-N 3.32Å
267S58.4Low72.8Confident177 Ų177120.5 Ų120.5100%1.23874%0.741SS**  trans-87.10158.163.60000109S265S265-S267 PolarHBondContact O-N 3.4Å

Retrieved 267 of 267 residues in 93.2 ms (Link to these results)

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