A0A087Y857_POEFO Loading...

Cytochrome c oxidase assembly factor 7

Required for assembly of mitochondrial respiratory chain complexes.

AlphaFold DB , UniProt , Accession A0A087Y857, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 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
1M41.4Very low79.8Confident242 Ų242130.9 Ų130.9100%1.19269%0.694SS**  0104.90-77.7-176-83.400106.7G3M1-G3 PolarHBondContact O-N 2.68Å
2A55.1Low80.9Confident107 Ų107126.6 Ų126.688%0.88467%0.667SS**  trans-70.8110.3169.800000106.5
3G67.9Low81.7Confident62 Ų62119.7 Ų119.764%0.63963%0.633SS**PPolyproline II helixtrans-60.5145.9168.300000108.9M1 I5M1-G3 PolarHBondContact O-N 2.68Å; G3-I5 PolarHBondContact O-N 2.68Å
4L81.8Confident82.2Confident175 Ų175121 Ų12192%0.91663%0.631SS**PPolyproline II helixtrans-60130.2170.3-69.7165.3000108.2
5I84.8Confident82.8Confident56 Ų56121.4 Ų121.429%0.28763%0.628SS.*PPolyproline II helixtrans-73.3127.9178.9-55.7-178.4000108.1G3 F7 E12 F16G3-I5 PolarHBondContact O-N 2.68Å; I5-F7 HydrophobicContact CB-CE2 4.49Å; I5-F7 HydrophobicContact CB-CZ 4.49Å; I5-F7 PolarHBondContact O-N 2.87Å; I5-E12 HydrophobicContact CG2-CB 4.16Å; I5-F16 HydrophobicContact CD1-CB 3.79Å; I5-F16 HydrophobicContact CD1-CD1 4.34Å; I5-F16 HydrophobicContact CD1-CD2 3.04Å; I5-F16 HydrophobicContact CD1-CE2 3.62Å; I5-F16 HydrophobicContact CD1-CG 3.46Å; I5-F16 VanDerWaalsContact CD1-CG 3.46Å; I5-F16 HydrophobicContact CD1-CZ 4.45Å; I5-F16 HydrophobicContact CG2-CB 4.4Å
6N88.5Confident83.3Confident71 Ų71118.1 Ų118.138%0.3861%0.608SS.*  trans-80104.7172.7-175.55.6000110E8 D9 E12N6-E8 PolarHBondContact O-N 2.92Å; N6-E8 WeakPolarHBondContact OD1-CB 3.23Å; N6-E8 PolarHBondContact OD1-N 3.24Å; N6-E8 VanDerWaalsContact OD1-N 3.08Å; N6-D9 HydrophobicContact CB-CB 4.13Å; N6-D9 PolarHBondContact O-N 3.5Å; N6-D9 VanDerWaalsContact O-N 3.08Å; N6-E12 WeakPolarHBondContact CB-OE2 3.25Å; N6-E12 PolarHBondContact N-OE2 3.44Å
7F89Confident83.7Confident146 Ų146114.2 Ų114.264%0.6459%0.588SS**THydrogen-bonded Turntrans-72.3-9.4179.7-71-76.9000114.4I5 V13I5-F7 HydrophobicContact CB-CE2 4.49Å; I5-F7 HydrophobicContact CB-CZ 4.49Å; I5-F7 PolarHBondContact O-N 2.87Å; F7-V13 HydrophobicContact CB-CG2 4.44Å; F7-V13 HydrophobicContact CD1-CG2 4.05Å
8E92.8Very high84Confident181 Ų181111.3 Ų111.385%0.84657%0.574SS**THydrogen-bonded Turntrans-84.9-15.3170.5-58.6-178.6168.800112N6N6-E8 PolarHBondContact O-N 2.92Å; N6-E8 WeakPolarHBondContact OD1-CB 3.23Å; N6-E8 PolarHBondContact OD1-N 3.24Å; N6-E8 VanDerWaalsContact OD1-N 3.08Å
9D93.1Very high84.5Confident58 Ų58110.6 Ų110.631%0.3157%0.571SS.*  trans-92.8110.4176.5-172-47.2000110.9N6 K11 E12 V13N6-D9 HydrophobicContact CB-CB 4.13Å; N6-D9 PolarHBondContact O-N 3.5Å; N6-D9 VanDerWaalsContact O-N 3.08Å; D9-K11 PolarHBondContact O-N 2.73Å; D9-K11 WeakPolarHBondContact OD1-CA 3.38Å; D9-K11 VanDerWaalsContact OD1-CB 3.32Å; D9-K11 WeakPolarHBondContact OD1-CB 3.3Å; D9-K11 PolarHBondContact OD1-N 3.31Å; D9-E12 HydrophobicContact CB-CB 4.12Å; D9-E12 HydrophobicContact CB-CG 4.11Å; D9-E12 PolarHBondContact O-N 3.26Å; D9-E12 PolarHBondContact OD1-N 2.91Å; D9-E12 VanDerWaalsContact OD1-N 3.17Å; D9-V13 WeakPolarHBondContact O-CG2 3.47Å; D9-V13 PolarHBondContact O-N 3.47Å
10E92.2Very high84.9Confident171 Ų171106.5 Ų106.580%0.79955%0.55SS*.Hα-helixtrans-58.3-31.9-179.1-65.9-173.3166.200114K14E10-K14 VanDerWaalsContact O-CB 3.24Å; E10-K14 WeakPolarHBondContact O-CB 3.31Å; E10-K14 PolarHBondContact O-N 3.46Å
11K91.4Very high85.4Confident171 Ų171101.9 Ų101.974%0.74353%0.529SS*.Hα-helixtrans-74.1-43.2180-66.6179-179.3172.40110.7D9 K14 Q15D9-K11 PolarHBondContact O-N 2.73Å; D9-K11 WeakPolarHBondContact OD1-CA 3.38Å; D9-K11 VanDerWaalsContact OD1-CB 3.32Å; D9-K11 WeakPolarHBondContact OD1-CB 3.3Å; D9-K11 PolarHBondContact OD1-N 3.31Å; K11-K14 PolarHBondContact O-N 3.44Å; K11-Q15 WeakPolarHBondContact O-CB 3.27Å; K11-Q15 PolarHBondContact O-N 3.07Å
12E92.6Very high88Confident79 Ų7995.3 Ų95.337%0.36950%0.502SS..Hα-helixtrans-63.1-44.3175.5-69.8-164.9-16100111.1I5 N6 D9 K14 Q15 F16I5-E12 HydrophobicContact CG2-CB 4.16Å; N6-E12 WeakPolarHBondContact CB-OE2 3.25Å; N6-E12 PolarHBondContact N-OE2 3.44Å; D9-E12 HydrophobicContact CB-CB 4.12Å; D9-E12 HydrophobicContact CB-CG 4.11Å; D9-E12 PolarHBondContact O-N 3.26Å; D9-E12 PolarHBondContact OD1-N 2.91Å; D9-E12 VanDerWaalsContact OD1-N 3.17Å; E12-K14 PolarHBondContact O-N 2.98Å; E12-Q15 PolarHBondContact O-N 3.46Å; E12-F16 WeakPolarHBondContact O-CB 3.19Å; E12-F16 PolarHBondContact O-N 2.87Å
13V91.1Very high90Very high37 Ų3795 Ų9522%0.22448%0.482CS..Hα-helixtrans-60-46.3175.3173.40000111.1F7 D9 Q15 F16 L17F7-V13 HydrophobicContact CB-CG2 4.44Å; F7-V13 HydrophobicContact CD1-CG2 4.05Å; D9-V13 WeakPolarHBondContact O-CG2 3.47Å; D9-V13 PolarHBondContact O-N 3.47Å; V13-Q15 PolarHBondContact O-N 3.01Å; V13-F16 WeakPolarHBondContact O-CB 3.14Å; V13-F16 PolarHBondContact O-N 2.96Å; V13-L17 HydrophobicContact CG1-CD1 3.96Å; V13-L17 HydrophobicContact CG1-CG 4.35Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.32Å; V13-L17 PolarHBondContact O-N 3.41Å
14K89.4Confident91.4Very high138 Ų13894.2 Ų94.260%0.646%0.461SS*.Hα-helixtrans-61.3-45.7178.8-175.2177.6179.8-179.30111.7E10 K11 E12 F16 L17 D18E10-K14 VanDerWaalsContact O-CB 3.24Å; E10-K14 WeakPolarHBondContact O-CB 3.31Å; E10-K14 PolarHBondContact O-N 3.46Å; K11-K14 PolarHBondContact O-N 3.44Å; E12-K14 PolarHBondContact O-N 2.98Å; K14-F16 VanDerWaalsContact C-N 3.32Å; K14-F16 PolarHBondContact O-N 3.43Å; K14-L17 PolarHBondContact O-N 3.12Å; K14-D18 PolarHBondContact O-N 2.57Å
15Q90.8Very high92.2Very high127 Ų12788 Ų8859%0.59343%0.432SS*.Hα-helixtrans-63.2-40.3178.7-175170.912.700111.8K11 E12 V13 D18 N19K11-Q15 WeakPolarHBondContact O-CB 3.27Å; K11-Q15 PolarHBondContact O-N 3.07Å; E12-Q15 PolarHBondContact O-N 3.46Å; V13-Q15 PolarHBondContact O-N 3.01Å; Q15-D18 PolarHBondContact O-N 3.27Å; Q15-N19 VanDerWaalsContact O-CG 3.28Å; Q15-N19 PolarHBondContact O-N 3.08Å; Q15-N19 PolarHBondContact O-ND2 3.12Å
16F90.8Very high92.8Very high68 Ų6891.6 Ų91.630%0.29844%0.442SS..Hα-helixtrans-60.1-49.5173.9175.9-113.5000112.3I5 E12 V13 K14 D18 N19 L20I5-F16 HydrophobicContact CD1-CB 3.79Å; I5-F16 HydrophobicContact CD1-CD1 4.34Å; I5-F16 HydrophobicContact CD1-CD2 3.04Å; I5-F16 HydrophobicContact CD1-CE2 3.62Å; I5-F16 HydrophobicContact CD1-CG 3.46Å; I5-F16 VanDerWaalsContact CD1-CG 3.46Å; I5-F16 HydrophobicContact CD1-CZ 4.45Å; I5-F16 HydrophobicContact CG2-CB 4.4Å; E12-F16 WeakPolarHBondContact O-CB 3.19Å; E12-F16 PolarHBondContact O-N 2.87Å; V13-F16 WeakPolarHBondContact O-CB 3.14Å; V13-F16 PolarHBondContact O-N 2.96Å; K14-F16 VanDerWaalsContact C-N 3.32Å; K14-F16 PolarHBondContact O-N 3.43Å; F16-D18 VanDerWaalsContact C-N 3.29Å; F16-D18 PolarHBondContact O-N 3.49Å; F16-N19 PolarHBondContact O-N 2.95Å; F16-L20 HydrophobicContact CD1-CD1 4.16Å; F16-L20 HydrophobicContact CE1-CD1 3.56Å; F16-L20 HydrophobicContact CE1-CG 4.18Å; F16-L20 HydrophobicContact CE2-CD1 4.47Å; F16-L20 HydrophobicContact CE2-CD2 4.26Å; F16-L20 HydrophobicContact CE2-CG 4.24Å; F16-L20 HydrophobicContact CZ-CD1 3.76Å; F16-L20 HydrophobicContact CZ-CD2 4.08Å; F16-L20 HydrophobicContact CZ-CG 4Å; F16-L20 PolarHBondContact O-N 3.07Å
17L89.7Confident93.3Very high52 Ų5289.5 Ų89.527%0.27243%0.431SS..Hα-helixtrans-60.9-39.3178.2-69174000111.3V13 K14 L20 G21 Y43 V47V13-L17 HydrophobicContact CG1-CD1 3.96Å; V13-L17 HydrophobicContact CG1-CG 4.35Å; V13-L17 VanDerWaalsContact O-CG 3.28Å; V13-L17 WeakPolarHBondContact O-CG 3.32Å; V13-L17 PolarHBondContact O-N 3.41Å; K14-L17 PolarHBondContact O-N 3.12Å; L17-L20 HydrophobicContact CD2-CD1 4.36Å; L17-L20 PolarHBondContact O-N 2.92Å; L17-G21 PolarHBondContact O-N 3.32Å; L17-Y43 HydrophobicContact CB-CE2 4.41Å; L17-Y43 WeakPolarHBondContact O-CE2 3.03Å; L17-Y43 PolarHBondContact O-OH 3.38Å; L17-V47 HydrophobicContact CB-CG1 4.47Å; L17-V47 HydrophobicContact CD1-CG1 4.02Å; L17-V47 HydrophobicContact CD2-CG1 4.3Å
18D90.1Very high93.7Very high63 Ų6382.6 Ų82.634%0.33740%0.4SS..Hα-helixtrans-62.6-42.3176-72.9-15.7000111.6K14 Q15 F16 L20 G21 V22 K48K14-D18 PolarHBondContact O-N 2.57Å; Q15-D18 PolarHBondContact O-N 3.27Å; F16-D18 VanDerWaalsContact C-N 3.29Å; F16-D18 PolarHBondContact O-N 3.49Å; D18-L20 PolarHBondContact O-N 3.21Å; D18-G21 PolarHBondContact O-N 2.89Å; D18-V22 PolarHBondContact O-N 3.36Å; D18-K48 IonicContact OD1-NZ 2.68Å; D18-K48 PolarHBondContact OD1-NZ 2.83Å
19N92.2Very high94Very high97 Ų9779.5 Ų79.552%0.51938%0.382SS..Hα-helixtrans-65.1-38177.1-69.3-21.5000112.7Q15 F16 G21 V22 E23Q15-N19 VanDerWaalsContact O-CG 3.28Å; Q15-N19 PolarHBondContact O-N 3.08Å; Q15-N19 PolarHBondContact O-ND2 3.12Å; F16-N19 PolarHBondContact O-N 2.95Å; N19-G21 VanDerWaalsContact C-N 3.29Å; N19-G21 PolarHBondContact O-N 3.46Å; N19-V22 WeakPolarHBondContact O-CB 3.31Å; N19-V22 PolarHBondContact O-N 3.22Å; N19-V22 VanDerWaalsContact O-N 3.15Å; N19-E23 PolarHBondContact O-N 3.21Å
20L94Very high94.2Very high28 Ų2883.7 Ų83.715%0.14740%0.397CS..Hα-helixtrans-59.3-40.4174.8-74.1-179.5000112.1F16 L17 D18 V22 E23 Y24F16-L20 HydrophobicContact CD1-CD1 4.16Å; F16-L20 HydrophobicContact CE1-CD1 3.56Å; F16-L20 HydrophobicContact CE1-CG 4.18Å; F16-L20 HydrophobicContact CE2-CD1 4.47Å; F16-L20 HydrophobicContact CE2-CD2 4.26Å; F16-L20 HydrophobicContact CE2-CG 4.24Å; F16-L20 HydrophobicContact CZ-CD1 3.76Å; F16-L20 HydrophobicContact CZ-CD2 4.08Å; F16-L20 HydrophobicContact CZ-CG 4Å; F16-L20 PolarHBondContact O-N 3.07Å; L17-L20 HydrophobicContact CD2-CD1 4.36Å; L17-L20 PolarHBondContact O-N 2.92Å; D18-L20 PolarHBondContact O-N 3.21Å; L20-V22 VanDerWaalsContact C-N 3.27Å; L20-V22 PolarHBondContact O-N 3.14Å; L20-E23 PolarHBondContact O-N 3.1Å; L20-Y24 HydrophobicContact CB-CE2 3.93Å; L20-Y24 HydrophobicContact CD2-CE1 4.33Å; L20-Y24 VanDerWaalsContact O-CD2 3.28Å; L20-Y24 WeakPolarHBondContact O-CD2 3.34Å; L20-Y24 PolarHBondContact O-N 3.47Å
21G94.4Very high94.5Very high11 Ų1181 Ų8111%0.11338%0.384CS..Hα-helixtrans-59.7-38.4176.500000112.8L17 D18 N19 S25L17-G21 PolarHBondContact O-N 3.32Å; D18-G21 PolarHBondContact O-N 2.89Å; N19-G21 VanDerWaalsContact C-N 3.29Å; N19-G21 PolarHBondContact O-N 3.46Å; G21-S25 VanDerWaalsContact O-CB 3.25Å; G21-S25 WeakPolarHBondContact O-CB 3.34Å; G21-S25 PolarHBondContact O-N 3.43Å
22V95.6Very high94.8Very high103 Ų10379.6 Ų79.662%0.62438%0.378SS*.Hα-helixtrans-67.1-45.8176.21790000110.9D18 N19 L20 S25 Y26D18-V22 PolarHBondContact O-N 3.36Å; N19-V22 WeakPolarHBondContact O-CB 3.31Å; N19-V22 PolarHBondContact O-N 3.22Å; N19-V22 VanDerWaalsContact O-N 3.15Å; L20-V22 VanDerWaalsContact C-N 3.27Å; L20-V22 PolarHBondContact O-N 3.14Å; V22-S25 WeakPolarHBondContact O-CB 3.44Å; V22-S25 PolarHBondContact O-N 3.07Å; V22-Y26 PolarHBondContact O-N 2.95Å
23E96.8Very high95.1Very high100 Ų10078 Ų7847%0.46737%0.373SS..Hα-helixtrans-61.1-49.7178.6-172.8-175.6157.900111.7N19 L20 S25 Y26 Q27N19-E23 PolarHBondContact O-N 3.21Å; L20-E23 PolarHBondContact O-N 3.1Å; E23-S25 VanDerWaalsContact C-N 3.27Å; E23-S25 PolarHBondContact O-N 3.32Å; E23-Y26 WeakPolarHBondContact O-CB 3.47Å; E23-Y26 PolarHBondContact O-N 3.27Å; E23-Y26 VanDerWaalsContact O-N 3.12Å; E23-Q27 WeakPolarHBondContact O-CG 3.46Å; E23-Q27 PolarHBondContact O-N 3.32Å; E23-Q27 PolarHBondContact OE1-NE2 2.04Å; E23-Q27 VanDerWaalsContact OE1-NE2 3.15Å
24Y98.2Very high95.4Very high47 Ų4778.2 Ų78.218%0.18437%0.374CS..Hα-helixtrans-63.3-35.8179-56.6-26.1000112L20 C28 R39 Y43L20-Y24 HydrophobicContact CB-CE2 3.93Å; L20-Y24 HydrophobicContact CD2-CE1 4.33Å; L20-Y24 VanDerWaalsContact O-CD2 3.28Å; L20-Y24 WeakPolarHBondContact O-CD2 3.34Å; L20-Y24 PolarHBondContact O-N 3.47Å; Y24-C28 VanDerWaalsContact O-CB 3.29Å; Y24-C28 WeakPolarHBondContact O-CB 3.46Å; Y24-C28 PolarHBondContact O-N 2.88Å; Y24-R39 HydrophobicContact CD1-CB 3.84Å; Y24-R39 HydrophobicContact CD2-CB 4Å; Y24-R39 HydrophobicContact CE1-CB 4.08Å; Y24-R39 HydrophobicContact CE2-CB 4.21Å; Y24-R39 HydrophobicContact CG-CB 3.81Å; Y24-Y43 HydrophobicContact CD2-CG 4.31Å
25S97.9Very high95.8Very high45 Ų4575.4 Ų75.432%0.31537%0.366SS..Hα-helixtrans-63.3-43.8172.9-173.50000112.4G21 V22 E23 C28 Y29G21-S25 VanDerWaalsContact O-CB 3.25Å; G21-S25 WeakPolarHBondContact O-CB 3.34Å; G21-S25 PolarHBondContact O-N 3.43Å; V22-S25 WeakPolarHBondContact O-CB 3.44Å; V22-S25 PolarHBondContact O-N 3.07Å; E23-S25 VanDerWaalsContact C-N 3.27Å; E23-S25 PolarHBondContact O-N 3.32Å; S25-C28 PolarHBondContact O-N 3.5Å; S25-Y29 WeakPolarHBondContact O-CD2 3.41Å; S25-Y29 PolarHBondContact O-N 3.12Å
26Y98.1Very high96.1Very high130 Ų13069.4 Ų69.451%0.5134%0.338SS..Hα-helixtrans-63.2-48.3176.1-173-90.7000111.6V22 E23 C28 K30 E31V22-Y26 PolarHBondContact O-N 2.95Å; E23-Y26 WeakPolarHBondContact O-CB 3.47Å; E23-Y26 PolarHBondContact O-N 3.27Å; E23-Y26 VanDerWaalsContact O-N 3.12Å; Y26-C28 VanDerWaalsContact C-N 3.34Å; Y26-C28 PolarHBondContact O-N 3.08Å; Y26-K30 HydrophobicContact CD1-CB 4.42Å; Y26-K30 HydrophobicContact CD2-CB 3.89Å; Y26-K30 HydrophobicContact CD2-CG 4.15Å; Y26-K30 HydrophobicContact CE1-CB 4.37Å; Y26-K30 HydrophobicContact CE1-CG 4.25Å; Y26-K30 HydrophobicContact CE2-CB 3.85Å; Y26-K30 HydrophobicContact CE2-CG 3.56Å; Y26-K30 HydrophobicContact CG-CB 4.19Å; Y26-K30 WeakPolarHBondContact O-CA 3.38Å; Y26-K30 VanDerWaalsContact O-CB 3.23Å; Y26-K30 WeakPolarHBondContact O-CB 3.21Å; Y26-K30 PolarHBondContact O-N 2.88Å; Y26-E31 HydrophobicContact CD1-CG 3.89Å; Y26-E31 HydrophobicContact CE1-CG 3.63Å; Y26-E31 WeakPolarHBondContact CE1-OE1 3.45Å; Y26-E31 PolarHBondContact O-N 3.43Å; Y26-E31 VanDerWaalsContact O-N 3.12Å
27Q98.4Very high96.5Very high28 Ų2866.1 Ų66.113%0.13132%0.324CS..Iπ-helixtrans-56.2-48.4176-71.7172.5-3.900111.2E23 E31 K32 D33E23-Q27 WeakPolarHBondContact O-CG 3.46Å; E23-Q27 PolarHBondContact O-N 3.32Å; E23-Q27 PolarHBondContact OE1-NE2 2.04Å; E23-Q27 VanDerWaalsContact OE1-NE2 3.15Å; Q27-E31 WeakPolarHBondContact CG-OE2 3.43Å; Q27-E31 CarbonylContact O-C 3.24Å; Q27-E31 WeakPolarHBondContact O-CB 3.43Å; Q27-E31 PolarHBondContact O-N 2.88Å; Q27-K32 PolarHBondContact O-N 3.44Å; Q27-D33 HydrophobicContact CB-CB 4.42Å; Q27-D33 PolarHBondContact O-N 3.42Å
28C98.5Very high96.9Very high0 Ų064.6 Ų64.60%032%0.315CS..Iπ-helixtrans-63.7-55.4-178.5-178.90000112.9Y24 S25 Y26 K32 C37 L40Y24-C28 VanDerWaalsContact O-CB 3.29Å; Y24-C28 WeakPolarHBondContact O-CB 3.46Å; Y24-C28 PolarHBondContact O-N 2.88Å; S25-C28 PolarHBondContact O-N 3.5Å; Y26-C28 VanDerWaalsContact C-N 3.34Å; Y26-C28 PolarHBondContact O-N 3.08Å; C28-K32 VanDerWaalsContact O-CA 3.32Å; C28-K32 WeakPolarHBondContact O-CA 3.29Å; C28-K32 PolarHBondContact O-N 3.42Å; C28-C37 WeakPolarHBondContact CA-SG 3.41Å; C28-C37 HydrophobicContact CB-CB 3.82Å; C28-C37 WeakPolarHBondContact CB-SG 3.06Å; C28-C37 WeakPolarHBondContact SG-CA 3.02Å; C28-C37 WeakPolarHBondContact SG-CB 3.38Å; C28-C37 CovalentContact SG-SG 2.04Å; C28-C37 PolarHBondContact SG-SG 3.5Å; C28-L40 HydrophobicContact CB-CD2 4.2Å
29Y97.8Very high97.3Very high117 Ų11766.3 Ų66.346%0.45932%0.317SS..Iπ-helixtrans-94-31.6-167.2-62.3-59.2000113.9S25 L40 V57S25-Y29 WeakPolarHBondContact O-CD2 3.41Å; S25-Y29 PolarHBondContact O-N 3.12Å; Y29-L40 HydrophobicContact CD2-CD2 4.46Å; Y29-L40 HydrophobicContact CE2-CD2 3.67Å; Y29-V57 VanDerWaalsContact OH-CG2 3.31Å; Y29-V57 WeakPolarHBondContact OH-CG2 3.5Å
30K98.2Very high97.6Very high145 Ų14562.2 Ų62.263%0.6330%0.295SS*.Iπ-helixtrans-93.1-47.4-178.1-174.658.4175.5-179.30111.8Y26Y26-K30 HydrophobicContact CD1-CB 4.42Å; Y26-K30 HydrophobicContact CD2-CB 3.89Å; Y26-K30 HydrophobicContact CD2-CG 4.15Å; Y26-K30 HydrophobicContact CE1-CB 4.37Å; Y26-K30 HydrophobicContact CE1-CG 4.25Å; Y26-K30 HydrophobicContact CE2-CB 3.85Å; Y26-K30 HydrophobicContact CE2-CG 3.56Å; Y26-K30 HydrophobicContact CG-CB 4.19Å; Y26-K30 WeakPolarHBondContact O-CA 3.38Å; Y26-K30 VanDerWaalsContact O-CB 3.23Å; Y26-K30 WeakPolarHBondContact O-CB 3.21Å; Y26-K30 PolarHBondContact O-N 2.88Å
31E98.2Very high97.8Very high114 Ų11460.9 Ų60.953%0.53329%0.288SS..Iπ-helixtrans-85-15.1-179.8-56.4-175.7146.700112.6Y26 Q27 D33Y26-E31 HydrophobicContact CD1-CG 3.89Å; Y26-E31 HydrophobicContact CE1-CG 3.63Å; Y26-E31 WeakPolarHBondContact CE1-OE1 3.45Å; Y26-E31 PolarHBondContact O-N 3.43Å; Y26-E31 VanDerWaalsContact O-N 3.12Å; Q27-E31 WeakPolarHBondContact CG-OE2 3.43Å; Q27-E31 CarbonylContact O-C 3.24Å; Q27-E31 WeakPolarHBondContact O-CB 3.43Å; Q27-E31 PolarHBondContact O-N 2.88Å; E31-D33 PolarHBondContact O-N 3.26Å
32K98.3Very high98Very high142 Ų14263.7 Ų63.762%0.61730%0.3SS*.  trans61.932.6-179.2-57.6-179.1-178.6-1790112.2Q27 C28 P34 Y65Q27-K32 PolarHBondContact O-N 3.44Å; C28-K32 VanDerWaalsContact O-CA 3.32Å; C28-K32 WeakPolarHBondContact O-CA 3.29Å; C28-K32 PolarHBondContact O-N 3.42Å; K32-P34 WeakPolarHBondContact O-CD 3.29Å; K32-Y65 HydrophobicContact CB-CE1 4.5Å; K32-Y65 VanDerWaalsContact CB-OH 3.27Å; K32-Y65 WeakPolarHBondContact CB-OH 3.45Å
33D98.3Very high98.1Very high47 Ų4759.7 Ų59.725%0.25127%0.274SS..  trans-81.4115.2176.5176.519000110.4Q27 E31 D35 G36 C37 R39Q27-D33 HydrophobicContact CB-CB 4.42Å; Q27-D33 PolarHBondContact O-N 3.42Å; E31-D33 PolarHBondContact O-N 3.26Å; D33-D35 VanDerWaalsContact C-N 3.26Å; D33-D35 PolarHBondContact O-N 2.85Å; D33-D35 PolarHBondContact OD1-N 3.42Å; D33-G36 PolarHBondContact O-N 3.01Å; D33-G36 PolarHBondContact OD2-N 3.37Å; D33-C37 PolarHBondContact O-N 3.02Å; D33-R39 IonicContact OD2-NH1 2.68Å; D33-R39 PolarHBondContact OD2-NH1 3.26Å
34P97.8Very high98.2Very high40 Ų4056 Ų5626%0.2626%0.258SS..Hα-helixtrans-60.8-33.2177.2-23.635.9000113.4K32 C37 Q38 N61 Y65 H67K32-P34 WeakPolarHBondContact O-CD 3.29Å; P34-C37 WeakPolarHBondContact O-CB 3.46Å; P34-C37 PolarHBondContact O-N 3.32Å; P34-Q38 PolarHBondContact O-N 2.86Å; P34-N61 WeakPolarHBondContact CA-OD1 3.38Å; P34-N61 PolarHBondContact O-ND2 2.95Å; P34-Y65 HydrophobicContact CB-CD2 4.31Å; P34-Y65 HydrophobicContact CB-CG 4.11Å; P34-Y65 HydrophobicContact CG-CD1 3.83Å; P34-Y65 HydrophobicContact CG-CD2 4.17Å; P34-Y65 HydrophobicContact CG-CE1 4.45Å; P34-Y65 HydrophobicContact CG-CG 3.67Å; P34-H67 HydrophobicContact CB-CB 4.4Å
35D97.5Very high98.2Very high80 Ų8054.7 Ų54.743%0.42825%0.253SS..Hα-helixtrans-73-36177.5-74-29.1000110.9D33 C37 Q38 R39 H67D33-D35 VanDerWaalsContact C-N 3.26Å; D33-D35 PolarHBondContact O-N 2.85Å; D33-D35 PolarHBondContact OD1-N 3.42Å; D35-C37 VanDerWaalsContact C-N 3.34Å; D35-C37 PolarHBondContact O-N 2.94Å; D35-Q38 PolarHBondContact O-N 3.34Å; D35-R39 WeakPolarHBondContact O-CG 3.35Å; D35-R39 PolarHBondContact O-N 3.06Å; D35-H67 IonicContact OD1-CD2 2.68Å; D35-H67 IonicContact OD1-CE1 3.82Å; D35-H67 IonicContact OD1-NE2 2.57Å; D35-H67 PolarHBondContact OD1-NE2 3.33Å
36G98.3Very high98.1Very high0 Ų054.3 Ų54.30%026%0.257CS..Hα-helixtrans-56.9-44.7168.300000112.5D33 Q38 R39 L40D33-G36 PolarHBondContact O-N 3.01Å; D33-G36 PolarHBondContact OD2-N 3.37Å; G36-Q38 PolarHBondContact O-N 2.04Å; G36-R39 PolarHBondContact O-N 3.36Å; G36-L40 WeakPolarHBondContact O-CB 3.46Å; G36-L40 PolarHBondContact O-N 3.5Å
37C98.6Very high97.9Very high0 Ų051.5 Ų51.50%025%0.253CS..Hα-helixtrans-62.1-41.6173.5-67.10000112.8C28 D33 P34 D35 L40 A41 V57 N61C28-C37 WeakPolarHBondContact CA-SG 3.41Å; C28-C37 HydrophobicContact CB-CB 3.82Å; C28-C37 WeakPolarHBondContact CB-SG 3.06Å; C28-C37 WeakPolarHBondContact SG-CA 3.02Å; C28-C37 WeakPolarHBondContact SG-CB 3.38Å; C28-C37 CovalentContact SG-SG 2.04Å; C28-C37 PolarHBondContact SG-SG 3.5Å; D33-C37 PolarHBondContact O-N 3.02Å; P34-C37 WeakPolarHBondContact O-CB 3.46Å; P34-C37 PolarHBondContact O-N 3.32Å; D35-C37 VanDerWaalsContact C-N 3.34Å; D35-C37 PolarHBondContact O-N 2.94Å; C37-L40 PolarHBondContact O-N 3.35Å; C37-A41 PolarHBondContact O-N 3.15Å; C37-V57 HydrophobicContact CB-CG1 4.26Å; C37-V57 VanDerWaalsContact O-CG1 3.29Å; C37-V57 WeakPolarHBondContact O-CG1 3.46Å; C37-N61 HydrophobicContact CB-CB 3.79Å; C37-N61 WeakPolarHBondContact CB-ND2 3.41Å
38Q98.3Very high97.8Very high19 Ų1954.4 Ų54.49%0.08927%0.265CS..Hα-helixtrans-63.1-44.6176-179.957.843.700111.5P34 D35 G36 L40 A41 D42 N61 E69 S70P34-Q38 PolarHBondContact O-N 2.86Å; D35-Q38 PolarHBondContact O-N 3.34Å; G36-Q38 PolarHBondContact O-N 2.04Å; Q38-L40 VanDerWaalsContact C-N 3.34Å; Q38-L40 PolarHBondContact O-N 2.94Å; Q38-A41 PolarHBondContact O-N 3.42Å; Q38-D42 PolarHBondContact NE2-OD1 2.9Å; Q38-D42 VanDerWaalsContact NE2-OD1 3.14Å; Q38-D42 PolarHBondContact NE2-OD2 3.34Å; Q38-D42 PolarHBondContact O-N 3.02Å; Q38-N61 PolarHBondContact N-ND2 3.29Å; Q38-E69 HydrophobicContact CG-CB 4.21Å; Q38-S70 VanDerWaalsContact OE1-CA 3.26Å; Q38-S70 PolarHBondContact OE1-OG 2.91Å
39R98.3Very high97.7Very high100 Ų10060.3 Ų60.338%0.37729%0.291SS..Hα-helixtrans-60.8-42.1175.7-68.9177.3-157.9106.810.1111.9Y24 D33 D35 G36 D42 Y43Y24-R39 HydrophobicContact CD1-CB 3.84Å; Y24-R39 HydrophobicContact CD2-CB 4Å; Y24-R39 HydrophobicContact CE1-CB 4.08Å; Y24-R39 HydrophobicContact CE2-CB 4.21Å; Y24-R39 HydrophobicContact CG-CB 3.81Å; D33-R39 IonicContact OD2-NH1 2.68Å; D33-R39 PolarHBondContact OD2-NH1 3.26Å; D35-R39 WeakPolarHBondContact O-CG 3.35Å; D35-R39 PolarHBondContact O-N 3.06Å; G36-R39 PolarHBondContact O-N 3.36Å; R39-D42 PolarHBondContact O-N 3.17Å; R39-Y43 VanDerWaalsContact O-CB 3.31Å; R39-Y43 WeakPolarHBondContact O-CB 3.21Å; R39-Y43 PolarHBondContact O-N 3.06Å
40L98.7Very high97.7Very high10 Ų1057.6 Ų57.65%0.05228%0.284CS..Hα-helixtrans-61.4-45.5175.9179.562.5000111.5C28 Y29 G36 C37 Q38 D42 Y43 L44 V57C28-L40 HydrophobicContact CB-CD2 4.2Å; Y29-L40 HydrophobicContact CD2-CD2 4.46Å; Y29-L40 HydrophobicContact CE2-CD2 3.67Å; G36-L40 WeakPolarHBondContact O-CB 3.46Å; G36-L40 PolarHBondContact O-N 3.5Å; C37-L40 PolarHBondContact O-N 3.35Å; Q38-L40 VanDerWaalsContact C-N 3.34Å; Q38-L40 PolarHBondContact O-N 2.94Å; L40-D42 PolarHBondContact O-N 3.48Å; L40-Y43 PolarHBondContact O-N 3.36Å; L40-L44 HydrophobicContact CD1-CD1 4.08Å; L40-L44 HydrophobicContact CD1-CG 4.3Å; L40-L44 HydrophobicContact CG-CD1 3.93Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.25Å; L40-V57 HydrophobicContact CB-CG1 4.28Å; L40-V57 HydrophobicContact CD2-CG1 4Å; L40-V57 HydrophobicContact CD2-CG2 3.9Å; L40-V57 HydrophobicContact CG-CG1 4.26Å; L40-V57 HydrophobicContact CG-CG2 4.21Å
41A98.6Very high97.7Very high0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-62.7-40.7177.300000112.5C37 Q38 L44 D45 V57 L58C37-A41 PolarHBondContact O-N 3.15Å; Q38-A41 PolarHBondContact O-N 3.42Å; A41-L44 PolarHBondContact O-N 3.02Å; A41-D45 WeakPolarHBondContact O-CB 3.24Å; A41-D45 PolarHBondContact O-N 3.34Å; A41-V57 HydrophobicContact CB-CB 4.17Å; A41-V57 HydrophobicContact CB-CG1 4.07Å; A41-L58 HydrophobicContact CB-CD2 3.57Å; A41-L58 HydrophobicContact CB-CG 3.76Å
42D98Very high97.7Very high70 Ų7053.4 Ų53.437%0.37427%0.267SS..Hα-helixtrans-68.3-39.2176.7-72.9-28.7000112.4Q38 R39 L40 G46 K73Q38-D42 PolarHBondContact NE2-OD1 2.9Å; Q38-D42 VanDerWaalsContact NE2-OD1 3.14Å; Q38-D42 PolarHBondContact NE2-OD2 3.34Å; Q38-D42 PolarHBondContact O-N 3.02Å; R39-D42 PolarHBondContact O-N 3.17Å; L40-D42 PolarHBondContact O-N 3.48Å; D42-G46 WeakPolarHBondContact O-CA 3.04Å; D42-G46 PolarHBondContact O-N 3.17Å; D42-K73 IonicContact OD1-NZ 3.38Å; D42-K73 PolarHBondContact OD1-NZ 3.37Å
43Y98Very high97.7Very high19 Ų1948.5 Ų48.58%0.07525%0.25CS..Hα-helixtrans-60.4-47172172.6-99.1000111.8L17 Y24 R39 L40 V47 K48L17-Y43 HydrophobicContact CB-CE2 4.41Å; L17-Y43 WeakPolarHBondContact O-CE2 3.03Å; L17-Y43 PolarHBondContact O-OH 3.38Å; Y24-Y43 HydrophobicContact CD2-CG 4.31Å; R39-Y43 VanDerWaalsContact O-CB 3.31Å; R39-Y43 WeakPolarHBondContact O-CB 3.21Å; R39-Y43 PolarHBondContact O-N 3.06Å; L40-Y43 PolarHBondContact O-N 3.36Å; Y43-V47 HydrophobicContact CD2-CB 3.84Å; Y43-V47 HydrophobicContact CD2-CG1 4.18Å; Y43-V47 HydrophobicContact CD2-CG2 3.9Å; Y43-V47 HydrophobicContact CE2-CB 4.04Å; Y43-V47 HydrophobicContact CE2-CG1 3.87Å; Y43-V47 HydrophobicContact CE2-CG2 4.41Å; Y43-V47 WeakPolarHBondContact O-CA 3.4Å; Y43-V47 VanDerWaalsContact O-CB 3.27Å; Y43-V47 WeakPolarHBondContact O-CB 3.29Å; Y43-V47 PolarHBondContact O-N 3.2Å; Y43-K48 HydrophobicContact CD1-CG 4.16Å; Y43-K48 HydrophobicContact CE1-CD 4.35Å; Y43-K48 HydrophobicContact CE1-CG 3.54Å; Y43-K48 VanDerWaalsContact CZ-CE 3.46Å; Y43-K48 PolarHBondContact O-N 3.15Å; Y43-K48 WeakPolarHBondContact OH-CE 3.03Å
44L98.3Very high97.7Very high24 Ų2446.2 Ų46.213%0.12624%0.238CC..Hα-helixtrans-64.2-43.1179.7-70.6164.9000112L40 A41 K48 K49 N50 A54 V57L40-L44 HydrophobicContact CD1-CD1 4.08Å; L40-L44 HydrophobicContact CD1-CG 4.3Å; L40-L44 HydrophobicContact CG-CD1 3.93Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.25Å; A41-L44 PolarHBondContact O-N 3.02Å; L44-K48 CarbonylContact O-C 3.56Å; L44-K49 CarbonylContact O-C 3.5Å; L44-K49 WeakPolarHBondContact O-CA 3.43Å; L44-K49 PolarHBondContact O-N 3.29Å; L44-N50 HydrophobicContact CD2-CB 4.41Å; L44-N50 PolarHBondContact O-N 2.86Å; L44-A54 HydrophobicContact CB-CB 3.79Å; L44-V57 HydrophobicContact CD1-CG2 3.72Å
45D97.6Very high97.8Very high18 Ų1844.6 Ų44.610%0.09623%0.228CC..Hα-helixtrans-70.9-51.2178.8-171.9-35.6000112.2A41 K49 Y51 A54 K73 Y77 K82A41-D45 WeakPolarHBondContact O-CB 3.24Å; A41-D45 PolarHBondContact O-N 3.34Å; D45-K49 WeakPolarHBondContact O-CA 3.36Å; D45-K49 WeakPolarHBondContact O-CD 3.49Å; D45-Y51 WeakPolarHBondContact O-CE1 3.49Å; D45-Y51 WeakPolarHBondContact OD1-CE1 3.48Å; D45-A54 HydrophobicContact CB-CB 4.11Å; D45-K73 WeakPolarHBondContact OD2-CE 3.5Å; D45-K73 IonicContact OD2-NZ 2.93Å; D45-K73 PolarHBondContact OD2-NZ 3.01Å; D45-Y77 WeakPolarHBondContact OD2-CE1 3.28Å; D45-Y77 PolarHBondContact OD2-OH 3.32Å; D45-K82 VanDerWaalsContact CG-NZ 3.28Å; D45-K82 IonicContact OD1-NZ 2.61Å; D45-K82 PolarHBondContact OD1-NZ 3.39Å; D45-K82 IonicContact OD2-NZ 3.48Å; D45-K82 PolarHBondContact OD2-NZ 3.26Å
46G95.7Very high97.8Very high38 Ų3847.1 Ų47.139%0.39224%0.237SC..Hα-helixtrans-83.4-43.5-168.400000113.5D42 K49D42-G46 WeakPolarHBondContact O-CA 3.04Å; D42-G46 PolarHBondContact O-N 3.17Å; G46-K49 VanDerWaalsContact O-CE 3.29Å; G46-K49 WeakPolarHBondContact O-CE 3.29Å; G46-K49 PolarHBondContact O-NZ 3.39Å
47V94.9Very high97.8Very high70 Ų7047.3 Ų47.342%0.42424%0.239SC..THydrogen-bonded Turntrans-95.5-53.6-173.1-176.30000110.8L17 Y43L17-V47 HydrophobicContact CB-CG1 4.47Å; L17-V47 HydrophobicContact CD1-CG1 4.02Å; L17-V47 HydrophobicContact CD2-CG1 4.3Å; Y43-V47 HydrophobicContact CD2-CB 3.84Å; Y43-V47 HydrophobicContact CD2-CG1 4.18Å; Y43-V47 HydrophobicContact CD2-CG2 3.9Å; Y43-V47 HydrophobicContact CE2-CB 4.04Å; Y43-V47 HydrophobicContact CE2-CG1 3.87Å; Y43-V47 HydrophobicContact CE2-CG2 4.41Å; Y43-V47 WeakPolarHBondContact O-CA 3.4Å; Y43-V47 VanDerWaalsContact O-CB 3.27Å; Y43-V47 WeakPolarHBondContact O-CB 3.29Å; Y43-V47 PolarHBondContact O-N 3.2Å
48K95.8Very high97.8Very high90 Ų9047.3 Ų47.339%0.39124%0.239SC..SBendtrans-82.6-15.1-177.5-66.2-67178.3-179.50114.3D18 Y43 L44 N50D18-K48 IonicContact OD1-NZ 2.68Å; D18-K48 PolarHBondContact OD1-NZ 2.83Å; Y43-K48 HydrophobicContact CD1-CG 4.16Å; Y43-K48 HydrophobicContact CE1-CD 4.35Å; Y43-K48 HydrophobicContact CE1-CG 3.54Å; Y43-K48 VanDerWaalsContact CZ-CE 3.46Å; Y43-K48 PolarHBondContact O-N 3.15Å; Y43-K48 WeakPolarHBondContact OH-CE 3.03Å; L44-K48 CarbonylContact O-C 3.56Å; K48-N50 HydrophobicContact CB-CB 4.23Å; K48-N50 PolarHBondContact O-N 2.83Å
49K96.3Very high97.9Very high123 Ų12351.6 Ų51.654%0.53526%0.257SS..  trans51.126.6-171.4-51.6-51.2-163.8-169.70112.8L44 D45 G46 Y51L44-K49 CarbonylContact O-C 3.5Å; L44-K49 WeakPolarHBondContact O-CA 3.43Å; L44-K49 PolarHBondContact O-N 3.29Å; D45-K49 WeakPolarHBondContact O-CA 3.36Å; D45-K49 WeakPolarHBondContact O-CD 3.49Å; G46-K49 VanDerWaalsContact O-CE 3.29Å; G46-K49 WeakPolarHBondContact O-CE 3.29Å; G46-K49 PolarHBondContact O-NZ 3.39Å; K49-Y51 HydrophobicContact CB-CE1 4.47Å; K49-Y51 HydrophobicContact CB-CE2 4.48Å; K49-Y51 HydrophobicContact CD-CE1 4.42Å; K49-Y51 PolarHBondContact O-N 3.41Å
50N97.7Very high97.9Very high60 Ų6049.8 Ų49.832%0.32125%0.253SS..  trans-92.381.3176.3-177.3-10.8000108.4L44 K48 D52 S53 A54L44-N50 HydrophobicContact CD2-CB 4.41Å; L44-N50 PolarHBondContact O-N 2.86Å; K48-N50 HydrophobicContact CB-CB 4.23Å; K48-N50 PolarHBondContact O-N 2.83Å; N50-D52 VanDerWaalsContact C-N 3.31Å; N50-D52 PolarHBondContact O-N 3.46Å; N50-S53 WeakPolarHBondContact ND2-CB 3.25Å; N50-S53 PolarHBondContact ND2-OG 3.2Å; N50-S53 WeakPolarHBondContact OD1-CB 3.47Å; N50-S53 PolarHBondContact OD1-N 3.37Å; N50-S53 VanDerWaalsContact OD1-N 3.08Å; N50-S53 PolarHBondContact OD1-OG 3.39Å; N50-A54 WeakPolarHBondContact O-CB 3.41Å; N50-A54 PolarHBondContact O-N 3.12Å
51Y98.3Very high97.9Very high83 Ų8349.3 Ų49.333%0.32525%0.25SS..Hα-helixtrans-67.8-31.4-174.4-52.6-54.5000112.7D45 K49 A54 A55 K82 G83D45-Y51 WeakPolarHBondContact O-CE1 3.49Å; D45-Y51 WeakPolarHBondContact OD1-CE1 3.48Å; K49-Y51 HydrophobicContact CB-CE1 4.47Å; K49-Y51 HydrophobicContact CB-CE2 4.48Å; K49-Y51 HydrophobicContact CD-CE1 4.42Å; K49-Y51 PolarHBondContact O-N 3.41Å; Y51-A54 PolarHBondContact O-N 3.37Å; Y51-A55 WeakPolarHBondContact O-CB 3.43Å; Y51-A55 PolarHBondContact O-N 2.87Å; Y51-K82 HydrophobicContact CD1-CD 4.47Å; Y51-K82 HydrophobicContact CG-CG 4.35Å; Y51-G83 VanDerWaalsContact C-CA 3.46Å; Y51-G83 VanDerWaalsContact CB-CA 3.48Å; Y51-G83 WeakPolarHBondContact O-CA 3.32Å
52D98.4Very high97.9Very high89 Ų8949.4 Ų49.448%0.47625%0.251SS..Hα-helixtrans-67.4-48.4179.8-58.1-33.9000110.9N50 A54 A55 Q56 G83 G84N50-D52 VanDerWaalsContact C-N 3.31Å; N50-D52 PolarHBondContact O-N 3.46Å; D52-A54 VanDerWaalsContact C-N 3.34Å; D52-A54 PolarHBondContact O-N 2.93Å; D52-A55 PolarHBondContact O-N 3.29Å; D52-Q56 WeakPolarHBondContact O-CG 3.34Å; D52-Q56 PolarHBondContact O-N 2.9Å; D52-Q56 VanDerWaalsContact O-N 3.14Å; D52-G83 WeakPolarHBondContact OD1-CA 3.42Å; D52-G84 PolarHBondContact OD1-N 3.26Å; D52-G84 VanDerWaalsContact OD1-N 3.15Å
53S98.4Very high97.9Very high38 Ų3849.6 Ų49.627%0.26625%0.252SS..Hα-helixtrans-65.3-39.1174.2-61.30000111.4N50 A55 Q56 V57N50-S53 WeakPolarHBondContact ND2-CB 3.25Å; N50-S53 PolarHBondContact ND2-OG 3.2Å; N50-S53 WeakPolarHBondContact OD1-CB 3.47Å; N50-S53 PolarHBondContact OD1-N 3.37Å; N50-S53 VanDerWaalsContact OD1-N 3.08Å; N50-S53 PolarHBondContact OD1-OG 3.39Å; S53-A55 VanDerWaalsContact C-N 3.33Å; S53-A55 PolarHBondContact O-N 3.14Å; S53-Q56 WeakPolarHBondContact O-CB 3.22Å; S53-Q56 PolarHBondContact O-N 3.19Å; S53-V57 VanDerWaalsContact O-CG2 3.29Å; S53-V57 WeakPolarHBondContact O-CG2 3.44Å; S53-V57 PolarHBondContact O-N 2.97Å
54A98.8Very high97.8Very high0 Ų052.3 Ų52.30%027%0.27CS..Hα-helixtrans-57.8-46.1174.600000111.5L44 D45 N50 Y51 D52 Q56 V57 L58L44-A54 HydrophobicContact CB-CB 3.79Å; D45-A54 HydrophobicContact CB-CB 4.11Å; N50-A54 WeakPolarHBondContact O-CB 3.41Å; N50-A54 PolarHBondContact O-N 3.12Å; Y51-A54 PolarHBondContact O-N 3.37Å; D52-A54 VanDerWaalsContact C-N 3.34Å; D52-A54 PolarHBondContact O-N 2.93Å; A54-Q56 VanDerWaalsContact C-N 3.3Å; A54-Q56 PolarHBondContact O-N 2.96Å; A54-V57 PolarHBondContact O-N 3.15Å; A54-L58 WeakPolarHBondContact O-CB 3.26Å; A54-L58 WeakPolarHBondContact O-CG 3.3Å; A54-L58 PolarHBondContact O-N 3.46Å
55A98.7Very high97.8Very high6 Ų655 Ų555%0.0528%0.28CS..Hα-helixtrans-58.7-40.7177.400000112.3Y51 D52 S53 L58 K59 Y77 G83 V85Y51-A55 WeakPolarHBondContact O-CB 3.43Å; Y51-A55 PolarHBondContact O-N 2.87Å; D52-A55 PolarHBondContact O-N 3.29Å; S53-A55 VanDerWaalsContact C-N 3.33Å; S53-A55 PolarHBondContact O-N 3.14Å; A55-L58 PolarHBondContact O-N 3.2Å; A55-K59 VanDerWaalsContact O-CB 3.29Å; A55-K59 WeakPolarHBondContact O-CB 3.03Å; A55-K59 PolarHBondContact O-N 3.39Å; A55-Y77 HydrophobicContact CB-CD2 3.77Å; A55-Y77 HydrophobicContact CB-CE2 3.89Å; A55-G83 WeakPolarHBondContact CB-O 2.85Å; A55-V85 HydrophobicContact CB-CG1 3.7Å
56Q98.6Very high97.7Very high132 Ų13255.4 Ų55.462%0.61729%0.288SS*.Hα-helixtrans-63.1-45.1176.5-68.3172.613.400112D52 S53 A54 K59 H60D52-Q56 WeakPolarHBondContact O-CG 3.34Å; D52-Q56 PolarHBondContact O-N 2.9Å; D52-Q56 VanDerWaalsContact O-N 3.14Å; S53-Q56 WeakPolarHBondContact O-CB 3.22Å; S53-Q56 PolarHBondContact O-N 3.19Å; A54-Q56 VanDerWaalsContact C-N 3.3Å; A54-Q56 PolarHBondContact O-N 2.96Å; Q56-K59 PolarHBondContact O-N 3.41Å; Q56-H60 WeakPolarHBondContact O-CB 3.42Å; Q56-H60 PolarHBondContact O-N 2.91Å
57V98.8Very high97.8Very high4 Ų454.7 Ų54.72%0.02428%0.275CS..Hα-helixtrans-65.9-43.7177.7-175.10000111.1Y29 C37 L40 A41 L44 S53 A54 K59 H60 N61Y29-V57 VanDerWaalsContact OH-CG2 3.31Å; Y29-V57 WeakPolarHBondContact OH-CG2 3.5Å; C37-V57 HydrophobicContact CB-CG1 4.26Å; C37-V57 VanDerWaalsContact O-CG1 3.29Å; C37-V57 WeakPolarHBondContact O-CG1 3.46Å; L40-V57 HydrophobicContact CB-CG1 4.28Å; L40-V57 HydrophobicContact CD2-CG1 4Å; L40-V57 HydrophobicContact CD2-CG2 3.9Å; L40-V57 HydrophobicContact CG-CG1 4.26Å; L40-V57 HydrophobicContact CG-CG2 4.21Å; A41-V57 HydrophobicContact CB-CB 4.17Å; A41-V57 HydrophobicContact CB-CG1 4.07Å; L44-V57 HydrophobicContact CD1-CG2 3.72Å; S53-V57 VanDerWaalsContact O-CG2 3.29Å; S53-V57 WeakPolarHBondContact O-CG2 3.44Å; S53-V57 PolarHBondContact O-N 2.97Å; A54-V57 PolarHBondContact O-N 3.15Å; V57-K59 VanDerWaalsContact C-N 3.33Å; V57-K59 PolarHBondContact O-N 3.14Å; V57-H60 PolarHBondContact O-N 3.47Å; V57-N61 WeakPolarHBondContact O-CB 3.41Å; V57-N61 PolarHBondContact O-N 3.19Å
58L98.8Very high97.9Very high0 Ų051.6 Ų51.60%026%0.256CS..Hα-helixtrans-59.1-45.3176.2-69.9170.4000111.6A41 A54 A55 N61 C62 K73 L74 Y77A41-L58 HydrophobicContact CB-CD2 3.57Å; A41-L58 HydrophobicContact CB-CG 3.76Å; A54-L58 WeakPolarHBondContact O-CB 3.26Å; A54-L58 WeakPolarHBondContact O-CG 3.3Å; A54-L58 PolarHBondContact O-N 3.46Å; A55-L58 PolarHBondContact O-N 3.2Å; L58-N61 PolarHBondContact O-N 2.88Å; L58-C62 WeakPolarHBondContact O-CB 3.42Å; L58-C62 PolarHBondContact O-N 2.86Å; L58-K73 HydrophobicContact CD1-CB 4.13Å; L58-K73 HydrophobicContact CD1-CD 3.98Å; L58-K73 HydrophobicContact CD1-CG 3.84Å; L58-K73 HydrophobicContact CD2-CB 4Å; L58-K73 HydrophobicContact CD2-CD 4.02Å; L58-K73 HydrophobicContact CD2-CG 4.32Å; L58-L74 HydrophobicContact CB-CB 4.18Å; L58-L74 HydrophobicContact CB-CD1 4.37Å; L58-Y77 HydrophobicContact CD1-CE1 4.34Å; L58-Y77 HydrophobicContact CD1-CE2 4.36Å
59K98.6Very high98Very high110 Ų11049 Ų4948%0.47825%0.245SC..Hα-helixtrans-60.9-48.9175.5-174-179-176.4-55.60111.4A55 Q56 V57 N61 C62 D63 L74A55-K59 VanDerWaalsContact O-CB 3.29Å; A55-K59 WeakPolarHBondContact O-CB 3.03Å; A55-K59 PolarHBondContact O-N 3.39Å; Q56-K59 PolarHBondContact O-N 3.41Å; V57-K59 VanDerWaalsContact C-N 3.33Å; V57-K59 PolarHBondContact O-N 3.14Å; K59-N61 PolarHBondContact O-N 3.41Å; K59-C62 PolarHBondContact O-N 3.18Å; K59-D63 VanDerWaalsContact CG-OD2 3.3Å; K59-D63 WeakPolarHBondContact CG-OD2 3.23Å; K59-D63 IonicContact NZ-OD2 2.88Å; K59-D63 PolarHBondContact NZ-OD2 3.07Å; K59-D63 VanDerWaalsContact O-CB 3.25Å; K59-D63 WeakPolarHBondContact O-CB 3.38Å; K59-D63 VanDerWaalsContact O-CG 3.31Å; K59-D63 PolarHBondContact O-N 3.02Å; K59-L74 HydrophobicContact CB-CD1 4.25Å; K59-L74 HydrophobicContact CB-CD2 4.07Å; K59-L74 HydrophobicContact CG-CD2 4.33Å
60H98.6Very high98.1Very high61 Ų6143.1 Ų43.128%0.28222%0.22SC..Hα-helixtrans-56.9-48.8177.1174.961.9000111.8Q56 V57 D63 T64 Y65Q56-H60 WeakPolarHBondContact O-CB 3.42Å; Q56-H60 PolarHBondContact O-N 2.91Å; V57-H60 PolarHBondContact O-N 3.47Å; H60-D63 PolarHBondContact O-N 3.26Å; H60-T64 PolarHBondContact CE1-OG1 2.83Å; H60-T64 VanDerWaalsContact CE1-OG1 3.31Å; H60-T64 PolarHBondContact ND1-OG1 3.42Å; H60-T64 WeakPolarHBondContact O-CB 3.35Å; H60-T64 PolarHBondContact O-N 2.96Å; H60-T64 PolarHBondContact O-OG1 3.1Å; H60-Y65 AromaticContact NE2-CE2 3.92Å
61N98.6Very high98.2Very high0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-68.1-41.4-176.4-160.620000112.3P34 C37 Q38 V57 L58 K59 Y65 G66 H67 S70P34-N61 WeakPolarHBondContact CA-OD1 3.38Å; P34-N61 PolarHBondContact O-ND2 2.95Å; C37-N61 HydrophobicContact CB-CB 3.79Å; C37-N61 WeakPolarHBondContact CB-ND2 3.41Å; Q38-N61 PolarHBondContact N-ND2 3.29Å; V57-N61 WeakPolarHBondContact O-CB 3.41Å; V57-N61 PolarHBondContact O-N 3.19Å; L58-N61 PolarHBondContact O-N 2.88Å; K59-N61 PolarHBondContact O-N 3.41Å; N61-Y65 PolarHBondContact O-N 2.64Å; N61-Y65 WeakPolarHBondContact OD1-CD2 3.27Å; N61-G66 PolarHBondContact O-N 3.48Å; N61-H67 WeakPolarHBondContact ND2-CB 3.48Å; N61-S70 WeakPolarHBondContact CB-OG 3.43Å; N61-S70 PolarHBondContact ND2-OG 2.51Å
62C98.4Very high98.2Very high2 Ų239.1 Ų39.11%0.01420%0.2CC..Hα-helixtrans-65.9-45.9175.7179.60000112.4L58 K59 G66 C71 L74L58-C62 WeakPolarHBondContact O-CB 3.42Å; L58-C62 PolarHBondContact O-N 2.86Å; K59-C62 PolarHBondContact O-N 3.18Å; C62-G66 VanDerWaalsContact O-CA 3.24Å; C62-G66 WeakPolarHBondContact O-CA 3.38Å; C62-G66 PolarHBondContact O-N 3.4Å; C62-G66 VanDerWaalsContact O-N 3.12Å; C62-C71 WeakPolarHBondContact CA-SG 3.02Å; C62-C71 HydrophobicContact CB-CB 3.96Å; C62-C71 WeakPolarHBondContact CB-SG 3.22Å; C62-C71 WeakPolarHBondContact SG-CA 3.11Å; C62-C71 WeakPolarHBondContact SG-CB 3.37Å; C62-C71 CovalentContact SG-SG 2.04Å; C62-C71 PolarHBondContact SG-SG 3.49Å; C62-L74 HydrophobicContact CB-CD2 4.15Å
63D97.8Very high98.2Very high74 Ų7436.9 Ų36.940%0.39619%0.186SC..Hα-helixtrans-73-35-177.2-73-23.6000112.6K59 H60 R98K59-D63 VanDerWaalsContact CG-OD2 3.3Å; K59-D63 WeakPolarHBondContact CG-OD2 3.23Å; K59-D63 IonicContact NZ-OD2 2.88Å; K59-D63 PolarHBondContact NZ-OD2 3.07Å; K59-D63 VanDerWaalsContact O-CB 3.25Å; K59-D63 WeakPolarHBondContact O-CB 3.38Å; K59-D63 VanDerWaalsContact O-CG 3.31Å; K59-D63 PolarHBondContact O-N 3.02Å; H60-D63 PolarHBondContact O-N 3.26Å; D63-R98 IonicContact OD1-CZ 2.98Å; D63-R98 IonicContact OD1-NH1 2.83Å; D63-R98 PolarHBondContact OD1-NH1 2.84Å
64T97.6Very high98.2Very high76 Ų7635.2 Ų35.247%0.46617%0.174SC..Hα-helixtrans-89-45.4-173.4-49.30000112.1H60H60-T64 PolarHBondContact CE1-OG1 2.83Å; H60-T64 VanDerWaalsContact CE1-OG1 3.31Å; H60-T64 PolarHBondContact ND1-OG1 3.42Å; H60-T64 WeakPolarHBondContact O-CB 3.35Å; H60-T64 PolarHBondContact O-N 2.96Å; H60-T64 PolarHBondContact O-OG1 3.1Å
65Y96.8Very high98.2Very high81 Ų8135.2 Ų35.232%0.31817%0.174SC..Hα-helixtrans-111.8-6.7-171.8-53.4-72.5000113K32 P34 H60 N61 H67K32-Y65 HydrophobicContact CB-CE1 4.5Å; K32-Y65 VanDerWaalsContact CB-OH 3.27Å; K32-Y65 WeakPolarHBondContact CB-OH 3.45Å; P34-Y65 HydrophobicContact CB-CD2 4.31Å; P34-Y65 HydrophobicContact CB-CG 4.11Å; P34-Y65 HydrophobicContact CG-CD1 3.83Å; P34-Y65 HydrophobicContact CG-CD2 4.17Å; P34-Y65 HydrophobicContact CG-CE1 4.45Å; P34-Y65 HydrophobicContact CG-CG 3.67Å; H60-Y65 AromaticContact NE2-CE2 3.92Å; N61-Y65 PolarHBondContact O-N 2.64Å; N61-Y65 WeakPolarHBondContact OD1-CD2 3.27Å; Y65-H67 PolarHBondContact O-N 2.92Å
66G96.6Very high98.2Very high27 Ų2736.6 Ų36.628%0.27819%0.186SC..  trans63.323-17500000113N61 C62 S68 A102N61-G66 PolarHBondContact O-N 3.48Å; C62-G66 VanDerWaalsContact O-CA 3.24Å; C62-G66 WeakPolarHBondContact O-CA 3.38Å; C62-G66 PolarHBondContact O-N 3.4Å; C62-G66 VanDerWaalsContact O-N 3.12Å; G66-S68 PolarHBondContact O-N 2.85Å; G66-A102 WeakPolarHBondContact O-CB 3.4Å
67H97.9Very high98.2Very high23 Ų2330.6 Ų30.611%0.10616%0.157CC..  trans-61.7124.7-173.7-169.7-78.6000111P34 D35 N61 Y65 E69 S70 C71P34-H67 HydrophobicContact CB-CB 4.4Å; D35-H67 IonicContact OD1-CD2 2.68Å; D35-H67 IonicContact OD1-CE1 3.82Å; D35-H67 IonicContact OD1-NE2 2.57Å; D35-H67 PolarHBondContact OD1-NE2 3.33Å; N61-H67 WeakPolarHBondContact ND2-CB 3.48Å; Y65-H67 PolarHBondContact O-N 2.92Å; H67-E69 IonicContact CE1-OE2 3.35Å; H67-E69 PolarHBondContact CE1-OE2 2.83Å; H67-E69 IonicContact ND1-OE2 3.97Å; H67-E69 PolarHBondContact ND1-OE2 3.44Å; H67-E69 IonicContact NE2-OE2 2.77Å; H67-S70 PolarHBondContact O-N 3.33Å; H67-C71 WeakPolarHBondContact O-CB 3.32Å; H67-C71 PolarHBondContact O-N 2.94Å; H67-C71 PolarHBondContact O-SG 3.01Å
68S97.5Very high98.2Very high5 Ų531.6 Ų31.64%0.03516%0.162CC..Hα-helixtrans-64.8-47.6-165.1-171.70000113.3G66 S70 C71 Y72 S99 G103 S107G66-S68 PolarHBondContact O-N 2.85Å; S68-S70 VanDerWaalsContact C-N 3.31Å; S68-S70 PolarHBondContact O-N 2.9Å; S68-C71 PolarHBondContact O-N 3.34Å; S68-Y72 WeakPolarHBondContact O-CB 3.42Å; S68-Y72 PolarHBondContact O-N 3.45Å; S68-S99 WeakPolarHBondContact O-CB 3.48Å; S68-S99 PolarHBondContact O-OG 3.01Å; S68-S99 PolarHBondContact OG-O 3.29Å; S68-S99 PolarHBondContact OG-OG 3.02Å; S68-G103 WeakPolarHBondContact CB-O 3.12Å; S68-G103 PolarHBondContact OG-O 2.99Å; S68-S107 PolarHBondContact OG-N 3.46Å
69E97.9Very high98.1Very high35 Ų3534.2 Ų34.216%0.16418%0.178CC..Hα-helixtrans-64.4-39.3179.6-69.173.2-173.200110.8Q38 H67 Y72 K73 K105 K106Q38-E69 HydrophobicContact CG-CB 4.21Å; H67-E69 IonicContact CE1-OE2 3.35Å; H67-E69 PolarHBondContact CE1-OE2 2.83Å; H67-E69 IonicContact ND1-OE2 3.97Å; H67-E69 PolarHBondContact ND1-OE2 3.44Å; H67-E69 IonicContact NE2-OE2 2.77Å; E69-Y72 PolarHBondContact O-N 3.25Å; E69-K73 WeakPolarHBondContact O-CB 3.32Å; E69-K73 PolarHBondContact O-N 3.3Å; E69-K105 WeakPolarHBondContact OE1-CA 3.01Å; E69-K105 WeakPolarHBondContact OE1-CB 3.41Å; E69-K105 PolarHBondContact OE1-N 2.9Å; E69-K106 HydrophobicContact CG-CB 4.25Å; E69-K106 HydrophobicContact CG-CG 3.97Å
70S98.4Very high98.1Very high0 Ų033.2 Ų33.20%018%0.181CC..Hα-helixtrans-65.9-45.8176.2-77.40000111.7Q38 N61 H67 S68 K73 L74Q38-S70 VanDerWaalsContact OE1-CA 3.26Å; Q38-S70 PolarHBondContact OE1-OG 2.91Å; N61-S70 WeakPolarHBondContact CB-OG 3.43Å; N61-S70 PolarHBondContact ND2-OG 2.51Å; H67-S70 PolarHBondContact O-N 3.33Å; S68-S70 VanDerWaalsContact C-N 3.31Å; S68-S70 PolarHBondContact O-N 2.9Å; S70-K73 PolarHBondContact O-N 3.41Å; S70-L74 VanDerWaalsContact O-CB 3.23Å; S70-L74 WeakPolarHBondContact O-CB 3.34Å; S70-L74 PolarHBondContact O-N 2.61Å
71C98.7Very high98Very high0 Ų031.5 Ų31.50%018%0.18CC..Hα-helixtrans-62.1-43.5175-73.10000111.9C62 H67 S68 G75 C95 R98C62-C71 WeakPolarHBondContact CA-SG 3.02Å; C62-C71 HydrophobicContact CB-CB 3.96Å; C62-C71 WeakPolarHBondContact CB-SG 3.22Å; C62-C71 WeakPolarHBondContact SG-CA 3.11Å; C62-C71 WeakPolarHBondContact SG-CB 3.37Å; C62-C71 CovalentContact SG-SG 2.04Å; C62-C71 PolarHBondContact SG-SG 3.49Å; H67-C71 WeakPolarHBondContact O-CB 3.32Å; H67-C71 PolarHBondContact O-N 2.94Å; H67-C71 PolarHBondContact O-SG 3.01Å; S68-C71 PolarHBondContact O-N 3.34Å; C71-G75 PolarHBondContact O-N 3.24Å; C71-C95 WeakPolarHBondContact O-CB 3.33Å; C71-R98 HydrophobicContact CB-CB 4.39Å
72Y98.7Very high97.9Very high59 Ų5934.6 Ų34.623%0.23119%0.193CC..Hα-helixtrans-59-50.3175.7173-92.2000111.4S68 E69 G75 A76 F96 K106 D109 S110 N113S68-Y72 WeakPolarHBondContact O-CB 3.42Å; S68-Y72 PolarHBondContact O-N 3.45Å; E69-Y72 PolarHBondContact O-N 3.25Å; Y72-G75 PolarHBondContact O-N 2.76Å; Y72-A76 PolarHBondContact O-N 3.03Å; Y72-F96 HydrophobicContact CD2-CD1 4.08Å; Y72-F96 AromaticContact CD2-CE1 3.95Å; Y72-F96 HydrophobicContact CD2-CE1 3.95Å; Y72-F96 HydrophobicContact CE2-CE1 4.25Å; Y72-F96 HydrophobicContact CG-CE1 4.5Å; Y72-F96 WeakPolarHBondContact O-CE1 3.44Å; Y72-K106 HydrophobicContact CD1-CB 4.25Å; Y72-K106 HydrophobicContact CD1-CD 4.12Å; Y72-K106 HydrophobicContact CD1-CG 4Å; Y72-K106 HydrophobicContact CD2-CB 4.25Å; Y72-K106 HydrophobicContact CE1-CD 4.14Å; Y72-K106 HydrophobicContact CG-CB 3.84Å; Y72-K106 HydrophobicContact CG-CD 4.37Å; Y72-K106 HydrophobicContact CG-CG 4.12Å; Y72-D109 HydrophobicContact CD2-CB 4.4Å; Y72-D109 HydrophobicContact CE2-CB 3.83Å; Y72-S110 VanDerWaalsContact CD2-OG 3.28Å; Y72-S110 WeakPolarHBondContact CD2-OG 3.43Å; Y72-N113 WeakPolarHBondContact CE2-ND2 3.32Å
73K98.4Very high97.8Very high41 Ų4135 Ų3518%0.17820%0.198CC..Hα-helixtrans-68.8-36.9-176.5-166.5175-175.3-1730112D42 D45 L58 E69 S70 G75 A76 Y77D42-K73 IonicContact OD1-NZ 3.38Å; D42-K73 PolarHBondContact OD1-NZ 3.37Å; D45-K73 WeakPolarHBondContact OD2-CE 3.5Å; D45-K73 IonicContact OD2-NZ 2.93Å; D45-K73 PolarHBondContact OD2-NZ 3.01Å; L58-K73 HydrophobicContact CD1-CB 4.13Å; L58-K73 HydrophobicContact CD1-CD 3.98Å; L58-K73 HydrophobicContact CD1-CG 3.84Å; L58-K73 HydrophobicContact CD2-CB 4Å; L58-K73 HydrophobicContact CD2-CD 4.02Å; L58-K73 HydrophobicContact CD2-CG 4.32Å; E69-K73 WeakPolarHBondContact O-CB 3.32Å; E69-K73 PolarHBondContact O-N 3.3Å; S70-K73 PolarHBondContact O-N 3.41Å; K73-G75 VanDerWaalsContact C-N 3.34Å; K73-A76 PolarHBondContact O-N 2.97Å; K73-Y77 HydrophobicContact CG-CD1 4.4Å; K73-Y77 HydrophobicContact CG-CE1 4.19Å; K73-Y77 VanDerWaalsContact O-CD1 3.27Å; K73-Y77 WeakPolarHBondContact O-CD1 3.47Å; K73-Y77 PolarHBondContact O-N 2.92Å
74L98.7Very high97.6Very high4 Ų434.8 Ų34.82%0.02121%0.213CC..Hα-helixtrans-62.4-41.1170.9-176.164.3000111.9L58 K59 C62 S70 A76 Y77 H78L58-L74 HydrophobicContact CB-CB 4.18Å; L58-L74 HydrophobicContact CB-CD1 4.37Å; K59-L74 HydrophobicContact CB-CD1 4.25Å; K59-L74 HydrophobicContact CB-CD2 4.07Å; K59-L74 HydrophobicContact CG-CD2 4.33Å; C62-L74 HydrophobicContact CB-CD2 4.15Å; S70-L74 VanDerWaalsContact O-CB 3.23Å; S70-L74 WeakPolarHBondContact O-CB 3.34Å; S70-L74 PolarHBondContact O-N 2.61Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 3.5Å; L74-Y77 WeakPolarHBondContact O-CB 3.42Å; L74-Y77 PolarHBondContact O-N 3.28Å; L74-H78 PolarHBondContact O-CD2 2.61Å; L74-H78 PolarHBondContact O-N 3.38Å
75G98.4Very high97.6Very high0 Ų032.5 Ų32.50%020%0.199CC..Hα-helixtrans-58.2-46.1173.300000111.7C71 Y72 K73 Y77 H78 V79 A92C71-G75 PolarHBondContact O-N 3.24Å; Y72-G75 PolarHBondContact O-N 2.76Å; K73-G75 VanDerWaalsContact C-N 3.34Å; G75-Y77 VanDerWaalsContact C-N 3.32Å; G75-Y77 PolarHBondContact O-N 3.21Å; G75-H78 PolarHBondContact O-N 3Å; G75-H78 VanDerWaalsContact O-N 3.14Å; G75-V79 WeakPolarHBondContact O-CG2 2.85Å; G75-V79 PolarHBondContact O-N 2.85Å; G75-A92 WeakPolarHBondContact O-CB 3.48Å
76A98.4Very high97.6Very high35 Ų3533.9 Ų33.929%0.28922%0.216SC..Hα-helixtrans-63.3-34.9175.500000113.2Y72 K73 L74 V79 T80Y72-A76 PolarHBondContact O-N 3.03Å; K73-A76 PolarHBondContact O-N 2.97Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 3.5Å; A76-V79 PolarHBondContact O-N 3.45Å; A76-T80 PolarHBondContact O-N 2.9Å; A76-T80 PolarHBondContact O-OG1 3.03Å
77Y98.6Very high97.7Very high5 Ų538.6 Ų38.62%0.0223%0.231CC..Hα-helixtrans-62.8-43.9171.9-87.740.7000111.1D45 A55 L58 K73 L74 G75 V79 T80 G81 K82 V85D45-Y77 WeakPolarHBondContact OD2-CE1 3.28Å; D45-Y77 PolarHBondContact OD2-OH 3.32Å; A55-Y77 HydrophobicContact CB-CD2 3.77Å; A55-Y77 HydrophobicContact CB-CE2 3.89Å; L58-Y77 HydrophobicContact CD1-CE1 4.34Å; L58-Y77 HydrophobicContact CD1-CE2 4.36Å; K73-Y77 HydrophobicContact CG-CD1 4.4Å; K73-Y77 HydrophobicContact CG-CE1 4.19Å; K73-Y77 VanDerWaalsContact O-CD1 3.27Å; K73-Y77 WeakPolarHBondContact O-CD1 3.47Å; K73-Y77 PolarHBondContact O-N 2.92Å; L74-Y77 WeakPolarHBondContact O-CB 3.42Å; L74-Y77 PolarHBondContact O-N 3.28Å; G75-Y77 VanDerWaalsContact C-N 3.32Å; G75-Y77 PolarHBondContact O-N 3.21Å; Y77-V79 VanDerWaalsContact C-N 3.28Å; Y77-V79 PolarHBondContact O-N 3.32Å; Y77-T80 CarbonylContact O-C 3.51Å; Y77-T80 PolarHBondContact O-N 2.8Å; Y77-T80 VanDerWaalsContact O-N 3.12Å; Y77-T80 PolarHBondContact O-OG1 3.45Å; Y77-G81 WeakPolarHBondContact O-CA 3.48Å; Y77-G81 PolarHBondContact O-N 2.66Å; Y77-K82 HydrophobicContact CD1-CB 4.21Å; Y77-K82 HydrophobicContact CD1-CD 4.07Å; Y77-K82 HydrophobicContact CD1-CG 4.34Å; Y77-K82 HydrophobicContact CD2-CB 4.18Å; Y77-K82 HydrophobicContact CD2-CG 4.3Å; Y77-K82 WeakPolarHBondContact CD2-O 3.36Å; Y77-K82 HydrophobicContact CE1-CB 4.49Å; Y77-K82 HydrophobicContact CE1-CD 3.6Å; Y77-K82 HydrophobicContact CE1-CG 4.1Å; Y77-K82 HydrophobicContact CE2-CB 4.43Å; Y77-K82 HydrophobicContact CE2-CD 4.38Å; Y77-K82 HydrophobicContact CE2-CG 4.04Å; Y77-K82 HydrophobicContact CG-CB 4.04Å; Y77-K82 HydrophobicContact CG-CG 4.42Å; Y77-K82 PolarHBondContact O-N 3.3Å; Y77-K82 WeakPolarHBondContact OH-CE 3.49Å; Y77-V85 WeakPolarHBondContact O-CG2 3.28Å
78H98.6Very high97.6Very high26 Ų2639.4 Ų39.412%0.1224%0.238CC..Hα-helixtrans-68-22.8175.4-80.5-65.1000114.1L74 G75 T80 T86 E87 C88 T91 A92L74-H78 PolarHBondContact O-CD2 2.61Å; L74-H78 PolarHBondContact O-N 3.38Å; G75-H78 PolarHBondContact O-N 3Å; G75-H78 VanDerWaalsContact O-N 3.14Å; H78-T80 VanDerWaalsContact C-N 3.3Å; H78-T86 PolarHBondContact ND1-O 3.39Å; H78-E87 CarbonylContact O-C 3.5Å; H78-E87 VanDerWaalsContact O-CA 3.26Å; H78-E87 WeakPolarHBondContact O-CA 3.44Å; H78-C88 PolarHBondContact O-N 3.17Å; H78-T91 WeakPolarHBondContact NE2-CG2 3.42Å; H78-A92 HydrophobicContact CB-CB 3.9Å
79V98Very high97.7Very high55 Ų5540.7 Ų40.733%0.33325%0.245SC..Hα-helixtrans-70.6-28.3171.6174.10000111.8G75 A76 Y77 E87 L89 A92 F96G75-V79 WeakPolarHBondContact O-CG2 2.85Å; G75-V79 PolarHBondContact O-N 2.85Å; A76-V79 PolarHBondContact O-N 3.45Å; Y77-V79 VanDerWaalsContact C-N 3.28Å; Y77-V79 PolarHBondContact O-N 3.32Å; V79-E87 WeakPolarHBondContact O-CG 3.36Å; V79-L89 HydrophobicContact CG2-CD2 4.32Å; V79-A92 HydrophobicContact CG2-CB 3.65Å; V79-F96 HydrophobicContact CG2-CE2 4.09Å; V79-F96 HydrophobicContact CG2-CZ 4.27Å
80T97Very high97.7Very high88 Ų8843.7 Ų43.754%0.5426%0.257SS..Hα-helixtrans-118.5-5.1-169.554.90000114.7A76 Y77 H78 K82A76-T80 PolarHBondContact O-N 2.9Å; A76-T80 PolarHBondContact O-OG1 3.03Å; Y77-T80 CarbonylContact O-C 3.51Å; Y77-T80 PolarHBondContact O-N 2.8Å; Y77-T80 VanDerWaalsContact O-N 3.12Å; Y77-T80 PolarHBondContact O-OG1 3.45Å; H78-T80 VanDerWaalsContact C-N 3.3Å; T80-K82 PolarHBondContact O-N 3.22Å
81G97.1Very high97.6Very high26 Ų2646.3 Ų46.327%0.26827%0.273SS..THydrogen-bonded Turntrans66.817.4-171.800000114.6Y77 V85Y77-G81 WeakPolarHBondContact O-CA 3.48Å; Y77-G81 PolarHBondContact O-N 2.66Å; G81-V85 CarbonylContact C-O 3.53Å; G81-V85 VanDerWaalsContact CA-O 3.3Å; G81-V85 WeakPolarHBondContact CA-O 3.31Å
82K97.1Very high97.6Very high65 Ų6546.3 Ų46.328%0.28327%0.273SS..G310 helixtrans-67.8142.8-176.5-175.5177173.6-166.20111.5D45 Y51 Y77 T80 V85D45-K82 VanDerWaalsContact CG-NZ 3.28Å; D45-K82 IonicContact OD1-NZ 2.61Å; D45-K82 PolarHBondContact OD1-NZ 3.39Å; D45-K82 IonicContact OD2-NZ 3.48Å; D45-K82 PolarHBondContact OD2-NZ 3.26Å; Y51-K82 HydrophobicContact CD1-CD 4.47Å; Y51-K82 HydrophobicContact CG-CG 4.35Å; Y77-K82 HydrophobicContact CD1-CB 4.21Å; Y77-K82 HydrophobicContact CD1-CD 4.07Å; Y77-K82 HydrophobicContact CD1-CG 4.34Å; Y77-K82 HydrophobicContact CD2-CB 4.18Å; Y77-K82 HydrophobicContact CD2-CG 4.3Å; Y77-K82 WeakPolarHBondContact CD2-O 3.36Å; Y77-K82 HydrophobicContact CE1-CB 4.49Å; Y77-K82 HydrophobicContact CE1-CD 3.6Å; Y77-K82 HydrophobicContact CE1-CG 4.1Å; Y77-K82 HydrophobicContact CE2-CB 4.43Å; Y77-K82 HydrophobicContact CE2-CD 4.38Å; Y77-K82 HydrophobicContact CE2-CG 4.04Å; Y77-K82 HydrophobicContact CG-CB 4.04Å; Y77-K82 HydrophobicContact CG-CG 4.42Å; Y77-K82 PolarHBondContact O-N 3.3Å; Y77-K82 WeakPolarHBondContact OH-CE 3.49Å; T80-K82 PolarHBondContact O-N 3.22Å; K82-V85 WeakPolarHBondContact O-CG2 3.06Å
83G95.3Very high97.6Very high11 Ų1145.1 Ų45.111%0.11327%0.269CS..G310 helixtrans6836.317500000113.9Y51 D52 A55 V85Y51-G83 VanDerWaalsContact C-CA 3.46Å; Y51-G83 VanDerWaalsContact CB-CA 3.48Å; Y51-G83 WeakPolarHBondContact O-CA 3.32Å; D52-G83 WeakPolarHBondContact OD1-CA 3.42Å; A55-G83 WeakPolarHBondContact CB-O 2.85Å; G83-V85 PolarHBondContact O-N 2.92Å; G83-V85 VanDerWaalsContact O-N 3.07Å
84G94.6Very high97.6Very high68 Ų6846 Ų4670%0.70128%0.28SS*.G310 helixtrans71.53.5173.700000114.7D52D52-G84 PolarHBondContact OD1-N 3.26Å; D52-G84 VanDerWaalsContact OD1-N 3.15Å
85V97Very high97.6Very high28 Ų2846.2 Ų46.217%0.1728%0.281CS..PPolyproline II helixtrans-76.9146174-48.20000110.2A55 Y77 G81 K82 G83 E87A55-V85 HydrophobicContact CB-CG1 3.7Å; Y77-V85 WeakPolarHBondContact O-CG2 3.28Å; G81-V85 CarbonylContact C-O 3.53Å; G81-V85 VanDerWaalsContact CA-O 3.3Å; G81-V85 WeakPolarHBondContact CA-O 3.31Å; K82-V85 WeakPolarHBondContact O-CG2 3.06Å; G83-V85 PolarHBondContact O-N 2.92Å; G83-V85 VanDerWaalsContact O-N 3.07Å; V85-E87 PolarHBondContact O-N 3.05Å
86T96.9Very high97.6Very high111 Ų11146.5 Ų46.568%0.68128%0.283SS*.PPolyproline II helixtrans-66.3129.6173.8-50.70000110.4H78 C88H78-T86 PolarHBondContact ND1-O 3.39Å; T86-C88 PolarHBondContact O-N 3.49Å
87E97.8Very high97.6Very high126 Ų12646.2 Ų46.259%0.58928%0.277SS*.PPolyproline II helixtrans-62117170-170.3-177.5119.600109.5H78 V79 V85H78-E87 CarbonylContact O-C 3.5Å; H78-E87 VanDerWaalsContact O-CA 3.26Å; H78-E87 WeakPolarHBondContact O-CA 3.44Å; V79-E87 WeakPolarHBondContact O-CG 3.36Å; V85-E87 PolarHBondContact O-N 3.05Å
88C97.6Very high97.6Very high40 Ų4051.6 Ų51.627%0.2730%0.298SS..  trans-158.1108.2-175.4-177.90000110.9H78 T86 K90 T91 A92H78-C88 PolarHBondContact O-N 3.17Å; T86-C88 PolarHBondContact O-N 3.49Å; C88-K90 VanDerWaalsContact C-N 3.25Å; C88-K90 PolarHBondContact O-N 3.38Å; C88-T91 PolarHBondContact O-N 3.01Å; C88-T91 PolarHBondContact SG-N 3.38Å; C88-T91 PolarHBondContact SG-OG1 2.93Å; C88-A92 PolarHBondContact O-N 3.21Å
89L97.8Very high97.6Very high32 Ų3250.4 Ų50.417%0.16829%0.292CS..Hα-helixtrans-62.7-30.5178.4-64.7-179.1000113V79 A92 Y93 L117 R122 A123V79-L89 HydrophobicContact CG2-CD2 4.32Å; L89-A92 PolarHBondContact O-N 3.03Å; L89-Y93 VanDerWaalsContact O-CB 3.22Å; L89-Y93 WeakPolarHBondContact O-CB 3.02Å; L89-Y93 PolarHBondContact O-N 2.87Å; L89-L117 HydrophobicContact CD2-CD2 4.25Å; L89-R122 HydrophobicContact CD1-CB 3.84Å; L89-A123 HydrophobicContact CB-CB 4.03Å
90K97.9Very high97.6Very high98 Ų9848.2 Ų48.243%0.42628%0.279SS..Hα-helixtrans-67-41.6176.5-57.5-169.3179.5-1800111.9C88 S94 D125C88-K90 VanDerWaalsContact C-N 3.25Å; C88-K90 PolarHBondContact O-N 3.38Å; K90-S94 PolarHBondContact O-N 3.37Å; K90-S94 VanDerWaalsContact O-N 3.08Å; K90-S94 PolarHBondContact O-OG 2.88Å; K90-D125 WeakPolarHBondContact CE-OD1 3.16Å; K90-D125 IonicContact NZ-OD1 3.29Å; K90-D125 PolarHBondContact NZ-OD1 3.17Å
91T97.9Very high97.6Very high54 Ų5449.1 Ų49.133%0.33128%0.28SS..Hα-helixtrans-69.2-44175.5-49.40000110.3H78 C88 Y93 S94 C95H78-T91 WeakPolarHBondContact NE2-CG2 3.42Å; C88-T91 PolarHBondContact O-N 3.01Å; C88-T91 PolarHBondContact SG-N 3.38Å; C88-T91 PolarHBondContact SG-OG1 2.93Å; T91-Y93 VanDerWaalsContact C-N 3.34Å; T91-Y93 PolarHBondContact O-N 3.26Å; T91-S94 WeakPolarHBondContact O-CB 3.07Å; T91-S94 PolarHBondContact O-N 2.98Å; T91-S94 VanDerWaalsContact O-N 3.14Å; T91-C95 PolarHBondContact O-N 3.46Å; T91-C95 PolarHBondContact O-SG 2.92Å; T91-C95 VanDerWaalsContact O-SG 3.32Å
92A98.4Very high97.3Very high0 Ų050.3 Ų50.30%029%0.288CS..Hα-helixtrans-56.4-47.4174.900000112.1G75 H78 V79 C88 L89 S94 C95 F96G75-A92 WeakPolarHBondContact O-CB 3.48Å; H78-A92 HydrophobicContact CB-CB 3.9Å; V79-A92 HydrophobicContact CG2-CB 3.65Å; C88-A92 PolarHBondContact O-N 3.21Å; L89-A92 PolarHBondContact O-N 3.03Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 3.03Å; A92-C95 WeakPolarHBondContact O-CB 3.36Å; A92-C95 PolarHBondContact O-N 2.88Å; A92-F96 HydrophobicContact CB-CE2 4.08Å; A92-F96 WeakPolarHBondContact O-CD2 3.43Å; A92-F96 WeakPolarHBondContact O-CG 3.13Å; A92-F96 PolarHBondContact O-N 3.29Å
93Y98.6Very high96.7Very high35 Ų3548.9 Ų48.914%0.13729%0.292CS..Hα-helixtrans-54.5-48.5174.4176.1-93.8000111.8L89 T91 C95 F96 V97 V114 L117 A123 L124 L132L89-Y93 VanDerWaalsContact O-CB 3.22Å; L89-Y93 WeakPolarHBondContact O-CB 3.02Å; L89-Y93 PolarHBondContact O-N 2.87Å; T91-Y93 VanDerWaalsContact C-N 3.34Å; T91-Y93 PolarHBondContact O-N 3.26Å; Y93-C95 VanDerWaalsContact C-N 3.32Å; Y93-C95 PolarHBondContact O-N 3.04Å; Y93-F96 PolarHBondContact O-N 2.8Å; Y93-V97 HydrophobicContact CD1-CG2 4.14Å; Y93-V97 HydrophobicContact CE1-CG2 3.68Å; Y93-V97 HydrophobicContact CE2-CG2 4.24Å; Y93-V97 WeakPolarHBondContact O-CG2 3.47Å; Y93-V97 PolarHBondContact O-N 3.33Å; Y93-V114 HydrophobicContact CD2-CG1 4.34Å; Y93-V114 HydrophobicContact CE2-CG1 3.57Å; Y93-L117 HydrophobicContact CD2-CB 3.88Å; Y93-L117 HydrophobicContact CD2-CD1 4.25Å; Y93-A123 HydrophobicContact CD2-CB 4.35Å; Y93-A123 HydrophobicContact CG-CB 4.25Å; Y93-L124 HydrophobicContact CD1-CD2 4.33Å; Y93-L124 HydrophobicContact CD2-CD2 4.37Å; Y93-L124 HydrophobicContact CE1-CD2 3.96Å; Y93-L124 HydrophobicContact CE2-CD2 3.98Å; Y93-L132 WeakPolarHBondContact OH-CD2 3.38Å
94S98.2Very high96.4Very high60 Ų6051 Ų5142%0.4231%0.313SS..Hα-helixtrans-61-40.8178.7-590000112.2K90 T91 A92 V97 R98K90-S94 PolarHBondContact O-N 3.37Å; K90-S94 VanDerWaalsContact O-N 3.08Å; K90-S94 PolarHBondContact O-OG 2.88Å; T91-S94 WeakPolarHBondContact O-CB 3.07Å; T91-S94 PolarHBondContact O-N 2.98Å; T91-S94 VanDerWaalsContact O-N 3.14Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 3.03Å; S94-V97 PolarHBondContact O-N 2.92Å; S94-R98 WeakPolarHBondContact O-CG 3.5Å; S94-R98 PolarHBondContact O-N 3.49Å; S94-R98 VanDerWaalsContact O-N 3.1Å
95C98.6Very high96.2Very high7 Ų756.5 Ų56.55%0.04732%0.318CS..Hα-helixtrans-63.6-44.7174.6-67.80000112.2C71 T91 A92 Y93 R98 S99C71-C95 WeakPolarHBondContact O-CB 3.33Å; T91-C95 PolarHBondContact O-N 3.46Å; T91-C95 PolarHBondContact O-SG 2.92Å; T91-C95 VanDerWaalsContact O-SG 3.32Å; A92-C95 WeakPolarHBondContact O-CB 3.36Å; A92-C95 PolarHBondContact O-N 2.88Å; Y93-C95 VanDerWaalsContact C-N 3.32Å; Y93-C95 PolarHBondContact O-N 3.04Å; C95-R98 PolarHBondContact O-N 2.88Å; C95-S99 PolarHBondContact O-N 2.99Å
96F98.6Very high96.2Very high6 Ų658.4 Ų58.43%0.02632%0.324CS..Hα-helixtrans-66.1-38.1177.1-63.4-46.6000112.3Y72 V79 A92 Y93 R98 S99 C100 S110 N113 V114 L117Y72-F96 HydrophobicContact CD2-CD1 4.08Å; Y72-F96 AromaticContact CD2-CE1 3.95Å; Y72-F96 HydrophobicContact CD2-CE1 3.95Å; Y72-F96 HydrophobicContact CE2-CE1 4.25Å; Y72-F96 HydrophobicContact CG-CE1 4.5Å; Y72-F96 WeakPolarHBondContact O-CE1 3.44Å; V79-F96 HydrophobicContact CG2-CE2 4.09Å; V79-F96 HydrophobicContact CG2-CZ 4.27Å; A92-F96 HydrophobicContact CB-CE2 4.08Å; A92-F96 WeakPolarHBondContact O-CD2 3.43Å; A92-F96 WeakPolarHBondContact O-CG 3.13Å; A92-F96 PolarHBondContact O-N 3.29Å; Y93-F96 PolarHBondContact O-N 2.8Å; F96-R98 VanDerWaalsContact C-N 3.34Å; F96-R98 PolarHBondContact O-N 3.33Å; F96-S99 PolarHBondContact O-N 3.38Å; F96-C100 VanDerWaalsContact O-CB 3.32Å; F96-C100 WeakPolarHBondContact O-CB 3.38Å; F96-C100 PolarHBondContact O-N 3.1Å; F96-S110 WeakPolarHBondContact O-CB 3.38Å; F96-N113 HydrophobicContact CB-CB 4.36Å; F96-N113 HydrophobicContact CD1-CB 4.12Å; F96-N113 HydrophobicContact CD2-CB 3.74Å; F96-N113 HydrophobicContact CE1-CB 4.34Å; F96-N113 WeakPolarHBondContact CE1-ND2 3.28Å; F96-N113 HydrophobicContact CE2-CB 3.97Å; F96-N113 HydrophobicContact CG-CB 3.83Å; F96-N113 HydrophobicContact CZ-CB 4.27Å; F96-V114 HydrophobicContact CB-CG2 3.63Å; F96-L117 HydrophobicContact CD2-CD1 3.8Å; F96-L117 HydrophobicContact CE2-CD1 4.06Å
97V98.3Very high96.2Very high29 Ų2953.7 Ų53.718%0.17630%0.296CS..Hα-helixtrans-59.3-46.1173.4169.40000110.7Y93 S94 C100 N101 V114Y93-V97 HydrophobicContact CD1-CG2 4.14Å; Y93-V97 HydrophobicContact CE1-CG2 3.68Å; Y93-V97 HydrophobicContact CE2-CG2 4.24Å; Y93-V97 WeakPolarHBondContact O-CG2 3.47Å; Y93-V97 PolarHBondContact O-N 3.33Å; S94-V97 PolarHBondContact O-N 2.92Å; V97-C100 PolarHBondContact O-N 3.48Å; V97-N101 VanDerWaalsContact O-CG 3.3Å; V97-N101 PolarHBondContact O-N 3.48Å; V97-N101 VanDerWaalsContact O-N 3.1Å; V97-N101 PolarHBondContact O-ND2 3.4Å; V97-V114 HydrophobicContact CB-CG2 4.4Å; V97-V114 HydrophobicContact CG2-CG1 3.87Å; V97-V114 HydrophobicContact CG2-CG2 3.72Å
98R98.2Very high96.2Very high119 Ų11950 Ų5045%0.44928%0.28SS..Hα-helixtrans-60-48.2176.5-71.5178.8-177.3-178.22.8112D63 C71 S94 C95 F96 N101 A102D63-R98 IonicContact OD1-CZ 2.98Å; D63-R98 IonicContact OD1-NH1 2.83Å; D63-R98 PolarHBondContact OD1-NH1 2.84Å; C71-R98 HydrophobicContact CB-CB 4.39Å; S94-R98 WeakPolarHBondContact O-CG 3.5Å; S94-R98 PolarHBondContact O-N 3.49Å; S94-R98 VanDerWaalsContact O-N 3.1Å; C95-R98 PolarHBondContact O-N 2.88Å; F96-R98 VanDerWaalsContact C-N 3.34Å; F96-R98 PolarHBondContact O-N 3.33Å; R98-N101 PolarHBondContact O-N 3.24Å; R98-A102 WeakPolarHBondContact O-CB 3.4Å; R98-A102 PolarHBondContact O-N 3.42Å
99S98.4Very high96.2Very high0 Ų049.7 Ų49.70%028%0.275CS..Hα-helixtrans-63.4-42.9178.31680000112.7S68 C95 F96 N101 A102 K106 S107 S110S68-S99 WeakPolarHBondContact O-CB 3.48Å; S68-S99 PolarHBondContact O-OG 3.01Å; S68-S99 PolarHBondContact OG-O 3.29Å; S68-S99 PolarHBondContact OG-OG 3.02Å; C95-S99 PolarHBondContact O-N 2.99Å; F96-S99 PolarHBondContact O-N 3.38Å; S99-N101 PolarHBondContact O-N 3.11Å; S99-A102 PolarHBondContact O-N 3.45Å; S99-K106 PolarHBondContact OG-O 3.5Å; S99-S107 WeakPolarHBondContact O-CA 3.31Å; S99-S107 WeakPolarHBondContact O-CB 3.48Å; S99-S110 WeakPolarHBondContact CB-OG 3.4Å; S99-S110 WeakPolarHBondContact OG-CB 3.36Å; S99-S110 PolarHBondContact OG-OG 3.27Å
100C98.1Very high96.2Very high10 Ų1048.1 Ų48.17%0.06827%0.267CS..Hα-helixtrans-56.8-39.8176.11740000111.2F96 V97 S107 C111 Y136F96-C100 VanDerWaalsContact O-CB 3.32Å; F96-C100 WeakPolarHBondContact O-CB 3.38Å; F96-C100 PolarHBondContact O-N 3.1Å; V97-C100 PolarHBondContact O-N 3.48Å; C100-S107 WeakPolarHBondContact CA-O 3.44Å; C100-S107 PolarHBondContact O-OG 3.13Å; C100-C111 HydrophobicContact CB-CB 4.03Å; C100-C111 WeakPolarHBondContact CB-SG 3.36Å; C100-C111 WeakPolarHBondContact SG-CA 3.11Å; C100-C111 WeakPolarHBondContact SG-CB 3.46Å; C100-C111 CovalentContact SG-SG 2.04Å; C100-C111 PolarHBondContact SG-SG 3.37Å; C100-Y136 HydrophobicContact CB-CE1 4.41Å; C100-Y136 VanDerWaalsContact SG-CE1 3.55Å
101N96.3Very high96.2Very high106 Ų10643.7 Ų43.757%0.56725%0.248SC*.Hα-helixtrans-82.1-17.8-178.5-66.7-20.9000114.5V97 R98 S99 G103V97-N101 VanDerWaalsContact O-CG 3.3Å; V97-N101 PolarHBondContact O-N 3.48Å; V97-N101 VanDerWaalsContact O-N 3.1Å; V97-N101 PolarHBondContact O-ND2 3.4Å; R98-N101 PolarHBondContact O-N 3.24Å; S99-N101 PolarHBondContact O-N 3.11Å; N101-G103 PolarHBondContact O-N 3.04Å
102A90.9Very high96.3Very high52 Ų5242.1 Ų42.143%0.4324%0.237SC..THydrogen-bonded Turntrans-82.5-6.2-172.900000115.3G66 R98 S99G66-A102 WeakPolarHBondContact O-CB 3.4Å; R98-A102 WeakPolarHBondContact O-CB 3.4Å; R98-A102 PolarHBondContact O-N 3.42Å; S99-A102 PolarHBondContact O-N 3.45Å
103G84.3Confident96.3Very high35 Ų3543.6 Ų43.636%0.36125%0.245SC..  trans69.2-171.9-165.800000111.7S68 N101 S107S68-G103 WeakPolarHBondContact CB-O 3.12Å; S68-G103 PolarHBondContact OG-O 2.99Å; N101-G103 PolarHBondContact O-N 3.04Å; G103-S107 VanDerWaalsContact O-CB 3.3Å; G103-S107 WeakPolarHBondContact O-CB 3.44Å
104G89.3Confident96.2Very high54 Ų5442 Ų4256%0.55724%0.238SC*.SBendtrans94.5174.2178.800000115.3K106 S107G104-K106 PolarHBondContact O-N 3.39Å; G104-S107 WeakPolarHBondContact O-CB 3.2Å; G104-S107 PolarHBondContact O-N 2.99Å
105K91.7Very high96.2Very high184 Ų18439.1 Ų39.180%0.822%0.218SC*.THydrogen-bonded Turntrans-66.6-26.7-168.1-57.7176.4-179.4173.60112.8E69E69-K105 WeakPolarHBondContact OE1-CA 3.01Å; E69-K105 WeakPolarHBondContact OE1-CB 3.41Å; E69-K105 PolarHBondContact OE1-N 2.9Å
106K95.9Very high96.2Very high68 Ų6842.7 Ų42.730%0.29624%0.237SC..THydrogen-bonded Turntrans-102.62179.3-70-58.6-173.1-168.90115E69 Y72 S99 G104 I108 D109 S110E69-K106 HydrophobicContact CG-CB 4.25Å; E69-K106 HydrophobicContact CG-CG 3.97Å; Y72-K106 HydrophobicContact CD1-CB 4.25Å; Y72-K106 HydrophobicContact CD1-CD 4.12Å; Y72-K106 HydrophobicContact CD1-CG 4Å; Y72-K106 HydrophobicContact CD2-CB 4.25Å; Y72-K106 HydrophobicContact CE1-CD 4.14Å; Y72-K106 HydrophobicContact CG-CB 3.84Å; Y72-K106 HydrophobicContact CG-CD 4.37Å; Y72-K106 HydrophobicContact CG-CG 4.12Å; S99-K106 PolarHBondContact OG-O 3.5Å; G104-K106 PolarHBondContact O-N 3.39Å; K106-I108 PolarHBondContact O-N 2.98Å; K106-D109 HydrophobicContact CD-CB 4.18Å; K106-D109 IonicContact NZ-OD1 2.58Å; K106-D109 PolarHBondContact NZ-OD1 2.83Å; K106-S110 VanDerWaalsContact O-CB 3.28Å; K106-S110 WeakPolarHBondContact O-CB 3.47Å; K106-S110 PolarHBondContact O-N 3.29Å; K106-S110 PolarHBondContact O-OG 3.23Å
107S96.7Very high96.1Very high13 Ų1343.2 Ų43.29%0.09124%0.239CC..Hα-helixtrans-60.9-45.4177.6156.90000111.6S68 S99 C100 G103 G104 S110 C111S68-S107 PolarHBondContact OG-N 3.46Å; S99-S107 WeakPolarHBondContact O-CA 3.31Å; S99-S107 WeakPolarHBondContact O-CB 3.48Å; C100-S107 WeakPolarHBondContact CA-O 3.44Å; C100-S107 PolarHBondContact O-OG 3.13Å; G103-S107 VanDerWaalsContact O-CB 3.3Å; G103-S107 WeakPolarHBondContact O-CB 3.44Å; G104-S107 WeakPolarHBondContact O-CB 3.2Å; G104-S107 PolarHBondContact O-N 2.99Å; S107-S110 WeakPolarHBondContact O-CB 3.46Å; S107-S110 PolarHBondContact O-N 3.34Å; S107-C111 PolarHBondContact O-N 2.88Å; S107-C111 PolarHBondContact O-SG 2.04Å
108I98Very high96.1Very high49 Ų4941.8 Ų41.825%0.25123%0.231SC..Hα-helixtrans-67-45-178.4-63.9-51.5000112.1K106 S110 C111 H112 A140 F145K106-I108 PolarHBondContact O-N 2.98Å; I108-S110 VanDerWaalsContact C-N 3.29Å; I108-S110 PolarHBondContact O-N 3.43Å; I108-C111 PolarHBondContact O-N 3.32Å; I108-H112 PolarHBondContact O-N 3.19Å; I108-H112 VanDerWaalsContact O-N 3.16Å; I108-A140 HydrophobicContact CG2-CB 4.46Å; I108-F145 HydrophobicContact CG2-CB 3.72Å; I108-F145 HydrophobicContact CG2-CD2 4.42Å; I108-F145 HydrophobicContact CG2-CG 4.4Å
109D97.5Very high95.9Very high32 Ų3240 Ų4017%0.17123%0.228CC..Hα-helixtrans-58.1-42172-54.5-144.1000111Y72 K106 H112 N113 F145Y72-D109 HydrophobicContact CD2-CB 4.4Å; Y72-D109 HydrophobicContact CE2-CB 3.83Å; K106-D109 HydrophobicContact CD-CB 4.18Å; K106-D109 IonicContact NZ-OD1 2.58Å; K106-D109 PolarHBondContact NZ-OD1 2.83Å; D109-H112 WeakPolarHBondContact O-CB 3.28Å; D109-H112 PolarHBondContact O-N 3.23Å; D109-N113 PolarHBondContact O-N 2.89Å; D109-F145 HydrophobicContact CB-CE2 4.44Å
110S98.3Very high95.7Very high0 Ų043.3 Ų43.30%025%0.245CC..Hα-helixtrans-62.2-43.4175.6-82.50000112.5Y72 F96 S99 K106 S107 I108 H112 N113 V114Y72-S110 VanDerWaalsContact CD2-OG 3.28Å; Y72-S110 WeakPolarHBondContact CD2-OG 3.43Å; F96-S110 WeakPolarHBondContact O-CB 3.38Å; S99-S110 WeakPolarHBondContact CB-OG 3.4Å; S99-S110 WeakPolarHBondContact OG-CB 3.36Å; S99-S110 PolarHBondContact OG-OG 3.27Å; K106-S110 VanDerWaalsContact O-CB 3.28Å; K106-S110 WeakPolarHBondContact O-CB 3.47Å; K106-S110 PolarHBondContact O-N 3.29Å; K106-S110 PolarHBondContact O-OG 3.23Å; S107-S110 WeakPolarHBondContact O-CB 3.46Å; S107-S110 PolarHBondContact O-N 3.34Å; I108-S110 VanDerWaalsContact C-N 3.29Å; I108-S110 PolarHBondContact O-N 3.43Å; S110-H112 PolarHBondContact O-N 3.12Å; S110-N113 PolarHBondContact O-N 3.43Å; S110-V114 WeakPolarHBondContact O-CG2 3.39Å; S110-V114 PolarHBondContact O-N 3.14Å
111C98.6Very high95.5Very high4 Ų443 Ų433%0.02724%0.244CC..Hα-helixtrans-59.1-38.1176.1-58.50000111.1C100 S107 I108 V114 G115 Y136 K139 A140C100-C111 HydrophobicContact CB-CB 4.03Å; C100-C111 WeakPolarHBondContact CB-SG 3.36Å; C100-C111 WeakPolarHBondContact SG-CA 3.11Å; C100-C111 WeakPolarHBondContact SG-CB 3.46Å; C100-C111 CovalentContact SG-SG 2.04Å; C100-C111 PolarHBondContact SG-SG 3.37Å; S107-C111 PolarHBondContact O-N 2.88Å; S107-C111 PolarHBondContact O-SG 2.04Å; I108-C111 PolarHBondContact O-N 3.32Å; C111-V114 PolarHBondContact O-N 2.93Å; C111-G115 PolarHBondContact O-N 2.86Å; C111-Y136 HydrophobicContact CB-CD1 4.28Å; C111-Y136 WeakPolarHBondContact O-CB 3.24Å; C111-K139 HydrophobicContact CB-CB 4.48Å; C111-A140 HydrophobicContact CB-CB 3.97Å
112H98.4Very high95.4Very high22 Ų2246.4 Ų46.410%0.10225%0.249CC..Hα-helixtrans-61-47172.1175.680.6000112.4I108 D109 S110 V114 G115 L116 Y137 A140 F145 S148I108-H112 PolarHBondContact O-N 3.19Å; I108-H112 VanDerWaalsContact O-N 3.16Å; D109-H112 WeakPolarHBondContact O-CB 3.28Å; D109-H112 PolarHBondContact O-N 3.23Å; S110-H112 PolarHBondContact O-N 3.12Å; H112-V114 VanDerWaalsContact C-N 3.32Å; H112-V114 PolarHBondContact O-N 2.82Å; H112-G115 WeakPolarHBondContact O-CA 3.48Å; H112-G115 PolarHBondContact O-N 3.12Å; H112-G115 VanDerWaalsContact O-N 3.11Å; H112-L116 PolarHBondContact O-N 3.46Å; H112-Y137 AromaticContact CE1-CE1 3.98Å; H112-Y137 AromaticContact ND1-CD1 3.95Å; H112-Y137 AromaticContact ND1-CE1 3.68Å; H112-A140 HydrophobicContact CB-CB 4.17Å; H112-F145 HydrophobicContact CB-CD1 3.57Å; H112-F145 HydrophobicContact CB-CE1 3.61Å; H112-F145 HydrophobicContact CB-CG 4.41Å; H112-F145 HydrophobicContact CB-CZ 4.47Å; H112-F145 AromaticContact CD2-CE1 3.56Å; H112-F145 AromaticContact CG-CD1 3.57Å; H112-F145 AromaticContact CG-CE1 3.31Å; H112-F145 AromaticContact ND1-CD1 3.69Å; H112-F145 AromaticContact ND1-CE1 3.65Å; H112-S148 WeakPolarHBondContact CB-OG 3.24Å; H112-S148 PolarHBondContact ND1-OG 3.3Å
113N98.4Very high95.6Very high31 Ų3144.1 Ų44.117%0.16623%0.23CC..Hα-helixtrans-63.8-36.4179.6-73-13.1000112.7Y72 F96 D109 S110 L116 L117Y72-N113 WeakPolarHBondContact CE2-ND2 3.32Å; F96-N113 HydrophobicContact CB-CB 4.36Å; F96-N113 HydrophobicContact CD1-CB 4.12Å; F96-N113 HydrophobicContact CD2-CB 3.74Å; F96-N113 HydrophobicContact CE1-CB 4.34Å; F96-N113 WeakPolarHBondContact CE1-ND2 3.28Å; F96-N113 HydrophobicContact CE2-CB 3.97Å; F96-N113 HydrophobicContact CG-CB 3.83Å; F96-N113 HydrophobicContact CZ-CB 4.27Å; D109-N113 PolarHBondContact O-N 2.89Å; S110-N113 PolarHBondContact O-N 3.43Å; N113-L116 PolarHBondContact O-N 2.68Å; N113-L117 WeakPolarHBondContact O-CG 3.27Å; N113-L117 PolarHBondContact O-N 3.23Å
114V98.4Very high96.1Very high0 Ų044.2 Ų44.20%022%0.222CC..Hα-helixtrans-61.2-47.3171.41790000110.1Y93 F96 V97 S110 C111 H112 L116 L117 A118 Y136Y93-V114 HydrophobicContact CD2-CG1 4.34Å; Y93-V114 HydrophobicContact CE2-CG1 3.57Å; F96-V114 HydrophobicContact CB-CG2 3.63Å; V97-V114 HydrophobicContact CB-CG2 4.4Å; V97-V114 HydrophobicContact CG2-CG1 3.87Å; V97-V114 HydrophobicContact CG2-CG2 3.72Å; S110-V114 WeakPolarHBondContact O-CG2 3.39Å; S110-V114 PolarHBondContact O-N 3.14Å; C111-V114 PolarHBondContact O-N 2.93Å; H112-V114 VanDerWaalsContact C-N 3.32Å; H112-V114 PolarHBondContact O-N 2.82Å; V114-L116 VanDerWaalsContact C-N 3.31Å; V114-L116 PolarHBondContact O-N 3.02Å; V114-L117 PolarHBondContact O-N 3.24Å; V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.41Å; V114-A118 PolarHBondContact O-N 3.31Å; V114-Y136 HydrophobicContact CB-CD1 3.78Å; V114-Y136 HydrophobicContact CB-CD2 4.35Å; V114-Y136 HydrophobicContact CB-CE1 4.11Å; V114-Y136 HydrophobicContact CB-CG 3.91Å; V114-Y136 HydrophobicContact CG1-CD1 3.65Å; V114-Y136 HydrophobicContact CG1-CD2 3.45Å; V114-Y136 VanDerWaalsContact CG1-CD2 3.45Å; V114-Y136 HydrophobicContact CG1-CE1 3.72Å; V114-Y136 HydrophobicContact CG1-CE2 3.51Å; V114-Y136 HydrophobicContact CG1-CG 3.52Å; V114-Y136 HydrophobicContact CG2-CD1 4.39Å; V114-Y136 HydrophobicContact CG2-CE1 4.34Å
115G97.8Very high96.2Very high0 Ų048.5 Ų48.50%023%0.232CC..Hα-helixtrans-58.1-42.7176.800000112.7C111 H112 A118 H119 A133 Y137C111-G115 PolarHBondContact O-N 2.86Å; H112-G115 WeakPolarHBondContact O-CA 3.48Å; H112-G115 PolarHBondContact O-N 3.12Å; H112-G115 VanDerWaalsContact O-N 3.11Å; G115-A118 PolarHBondContact O-N 2.94Å; G115-H119 VanDerWaalsContact O-CB 3.29Å; G115-H119 WeakPolarHBondContact O-CB 3.49Å; G115-H119 PolarHBondContact O-N 2.94Å; G115-A133 WeakPolarHBondContact O-CB 3.1Å; G115-Y137 VanDerWaalsContact C-CZ 3.47Å
116L97.6Very high96.1Very high83 Ų8343.2 Ų43.244%0.43523%0.23SC..Hα-helixtrans-61.6-50.2176.4-170.978000112.3H112 N113 V114 A118 H119 D120 Y137H112-L116 PolarHBondContact O-N 3.46Å; N113-L116 PolarHBondContact O-N 2.68Å; V114-L116 VanDerWaalsContact C-N 3.31Å; V114-L116 PolarHBondContact O-N 3.02Å; L116-A118 VanDerWaalsContact C-N 3.33Å; L116-A118 PolarHBondContact O-N 3.46Å; L116-H119 PolarHBondContact O-N 3.47Å; L116-D120 WeakPolarHBondContact O-CB 3.3Å; L116-D120 PolarHBondContact O-N 3.37Å; L116-Y137 VanDerWaalsContact CA-OH 3.22Å; L116-Y137 WeakPolarHBondContact CA-OH 3.34Å; L116-Y137 PolarHBondContact N-OH 2.77Å
117L97.8Very high95.9Very high16 Ų1641 Ų418%0.08423%0.227CC..Hα-helixtrans-68.8-32-179.2-70176.8000112.6L89 Y93 F96 N113 V114 G121 A123L89-L117 HydrophobicContact CD2-CD2 4.25Å; Y93-L117 HydrophobicContact CD2-CB 3.88Å; Y93-L117 HydrophobicContact CD2-CD1 4.25Å; F96-L117 HydrophobicContact CD2-CD1 3.8Å; F96-L117 HydrophobicContact CE2-CD1 4.06Å; N113-L117 WeakPolarHBondContact O-CG 3.27Å; N113-L117 PolarHBondContact O-N 3.23Å; V114-L117 PolarHBondContact O-N 3.24Å; L117-G121 WeakPolarHBondContact O-CA 3.28Å; L117-G121 PolarHBondContact O-N 3.47Å; L117-A123 HydrophobicContact CB-CB 4Å; L117-A123 HydrophobicContact CD1-CB 4.41Å; L117-A123 HydrophobicContact CD2-CB 4.36Å; L117-A123 HydrophobicContact CG-CB 4.5Å
118A97.1Very high95.7Very high0 Ų043.9 Ų43.90%025%0.245CC..Hα-helixtrans-70-39.4173.100000111.9V114 G115 L116 L124 D129 L132 A133V114-A118 VanDerWaalsContact O-CB 3.31Å; V114-A118 WeakPolarHBondContact O-CB 3.41Å; V114-A118 PolarHBondContact O-N 3.31Å; G115-A118 PolarHBondContact O-N 2.94Å; L116-A118 VanDerWaalsContact C-N 3.33Å; L116-A118 PolarHBondContact O-N 3.46Å; A118-L124 HydrophobicContact CB-CD1 4.18Å; A118-D129 PolarHBondContact O-N 3.02Å; A118-L132 HydrophobicContact CB-CB 4.29Å; A118-L132 HydrophobicContact CB-CD2 4.13Å; A118-L132 HydrophobicContact CB-CG 4.2Å; A118-A133 HydrophobicContact CB-CB 4.13Å
119H94.3Very high95.5Very high81 Ų8144.4 Ų44.438%0.37525%0.248SC..Hα-helixtrans-66.6-44.1177-172.481.9000112G115 L116 P128 A133G115-H119 VanDerWaalsContact O-CB 3.29Å; G115-H119 WeakPolarHBondContact O-CB 3.49Å; G115-H119 PolarHBondContact O-N 2.94Å; L116-H119 PolarHBondContact O-N 3.47Å; H119-P128 WeakPolarHBondContact O-CB 3.38Å; H119-A133 HydrophobicContact CB-CB 3.74Å
120D94.1Very high95.3Very high70 Ų7043.7 Ų43.737%0.37425%0.247SC..Hα-helixtrans-71.3-35.2176.5167.687.4000112.6L116 R122L116-D120 WeakPolarHBondContact O-CB 3.3Å; L116-D120 PolarHBondContact O-N 3.37Å; D120-R122 VanDerWaalsContact C-N 3.28Å; D120-R122 PolarHBondContact O-N 3.32Å; D120-R122 WeakPolarHBondContact OD1-CD 3.42Å; D120-R122 WeakPolarHBondContact OD2-CB 3.47Å; D120-R122 WeakPolarHBondContact OD2-CD 3.32Å; D120-R122 WeakPolarHBondContact OD2-CG 3.24Å; D120-R122 PolarHBondContact OD2-N 2.95Å
121G94.2Very high95.1Very high4 Ų446.2 Ų46.24%0.04126%0.262CS..  trans79.6-9173.600000116L117 A123 L124L117-G121 WeakPolarHBondContact O-CA 3.28Å; L117-G121 PolarHBondContact O-N 3.47Å; G121-A123 PolarHBondContact O-N 3.33Å; G121-L124 PolarHBondContact O-N 3.23Å; G121-L124 VanDerWaalsContact O-O 3.09Å
122R93.7Very high94.9Very high176 Ų17647.8 Ų47.866%0.66427%0.27SS*.THydrogen-bonded Turntrans-66.3-19-179.8-65165.758.1-150.9-0.4113.3L89 D120L89-R122 HydrophobicContact CD1-CB 3.84Å; D120-R122 VanDerWaalsContact C-N 3.28Å; D120-R122 PolarHBondContact O-N 3.32Å; D120-R122 WeakPolarHBondContact OD1-CD 3.42Å; D120-R122 WeakPolarHBondContact OD2-CB 3.47Å; D120-R122 WeakPolarHBondContact OD2-CD 3.32Å; D120-R122 WeakPolarHBondContact OD2-CG 3.24Å; D120-R122 PolarHBondContact OD2-N 2.95Å
123A94.8Very high94.8Very high5 Ų546.8 Ų46.84%0.04127%0.266CS..THydrogen-bonded Turntrans-88.4-4.917500000113.7L89 Y93 L117 G121L89-A123 HydrophobicContact CB-CB 4.03Å; Y93-A123 HydrophobicContact CD2-CB 4.35Å; Y93-A123 HydrophobicContact CG-CB 4.25Å; L117-A123 HydrophobicContact CB-CB 4Å; L117-A123 HydrophobicContact CD1-CB 4.41Å; L117-A123 HydrophobicContact CD2-CB 4.36Å; L117-A123 HydrophobicContact CG-CB 4.5Å; G121-A123 PolarHBondContact O-N 3.33Å
124L94.7Very high94.7Very high36 Ų3648.6 Ų48.619%0.18827%0.27CS..SBendtrans-118.5139-173.6-56.8-177000111Y93 A118 G121 G126 G127 D129 L132Y93-L124 HydrophobicContact CD1-CD2 4.33Å; Y93-L124 HydrophobicContact CD2-CD2 4.37Å; Y93-L124 HydrophobicContact CE1-CD2 3.96Å; Y93-L124 HydrophobicContact CE2-CD2 3.98Å; A118-L124 HydrophobicContact CB-CD1 4.18Å; G121-L124 PolarHBondContact O-N 3.23Å; G121-L124 VanDerWaalsContact O-O 3.09Å; L124-G126 PolarHBondContact O-N 2.73Å; L124-G127 PolarHBondContact O-N 2.92Å; L124-D129 HydrophobicContact CD1-CB 3.99Å; L124-L132 HydrophobicContact CD1-CD2 4.37Å
125D91.5Very high94.6Very high145 Ų14552.7 Ų52.778%0.77529%0.289SS*.THydrogen-bonded Turntrans-66.2-24.8178.7-67.9-45.3000113.1K90K90-D125 WeakPolarHBondContact CE-OD1 3.16Å; K90-D125 IonicContact NZ-OD1 3.29Å; K90-D125 PolarHBondContact NZ-OD1 3.17Å
126G89.6Confident94.6Very high72 Ų7253.7 Ų53.774%0.74229%0.293SS*.THydrogen-bonded Turntrans-90.25178.100000115.1L124L124-G126 PolarHBondContact O-N 2.73Å
127G92.8Very high94.6Very high23 Ų2350 Ų5024%0.23727%0.273CS..  trans70.7-158-171.900000113.1L124 D129L124-G127 PolarHBondContact O-N 2.92Å; G127-D129 PolarHBondContact O-N 3.36Å
128P93.4Very high94.7Very high72 Ų7252.4 Ų52.447%0.46828%0.284SS..  trans-55.9128.2-177.5-30.136.2000114.5H119 K162H119-P128 WeakPolarHBondContact O-CB 3.38Å; P128-K162 PolarHBondContact O-NZ 3.03Å
129D93.7Very high94.7Very high60 Ų6057.1 Ų57.132%0.32131%0.305SS..  trans-12191.9172.7-168.2-23.2000110.5A118 L124 G127 T131 L132 A133A118-D129 PolarHBondContact O-N 3.02Å; L124-D129 HydrophobicContact CD1-CB 3.99Å; G127-D129 PolarHBondContact O-N 3.36Å; D129-T131 VanDerWaalsContact C-N 3.31Å; D129-T131 PolarHBondContact O-N 3.28Å; D129-T131 PolarHBondContact OD1-N 2.93Å; D129-L132 HydrophobicContact CB-CB 3.94Å; D129-L132 VanDerWaalsContact CG-CB 3.46Å; D129-L132 PolarHBondContact O-N 2.87Å; D129-L132 PolarHBondContact OD1-N 3.23Å; D129-A133 WeakPolarHBondContact O-CB 3.4Å; D129-A133 PolarHBondContact O-N 2.88Å
130A93Very high94.9Very high18 Ų1853.2 Ų53.215%0.14929%0.287CS..Hα-helixtrans-71.9-22.3179.900000113.6R134 M155 N160 L164A130-R134 WeakPolarHBondContact O-CB 3.16Å; A130-R134 PolarHBondContact O-N 2.82Å; A130-R134 VanDerWaalsContact O-N 3.07Å; A130-M155 HydrophobicContact CB-CE 4.2Å; A130-M155 WeakPolarHBondContact O-CE 3.41Å; A130-N160 WeakPolarHBondContact CB-ND2 3.48Å; A130-L164 HydrophobicContact CB-CD1 3.89Å
131T93.1Very high95.1Very high52 Ų5250 Ų5032%0.31927%0.27SS..Hα-helixtrans-70.8-48.1174.8-61.40000109.2D129 A133 R134 E135D129-T131 VanDerWaalsContact C-N 3.31Å; D129-T131 PolarHBondContact O-N 3.28Å; D129-T131 PolarHBondContact OD1-N 2.93Å; T131-A133 PolarHBondContact O-N 2.89Å; T131-R134 WeakPolarHBondContact O-CB 3.39Å; T131-R134 PolarHBondContact O-N 3.07Å; T131-E135 WeakPolarHBondContact O-CG 3.47Å; T131-E135 PolarHBondContact O-N 3.15Å; T131-E135 VanDerWaalsContact O-N 3.1Å
132L94.6Very high95.3Very high38 Ų3853.1 Ų53.120%0.19930%0.295CS..Hα-helixtrans-62.3-43.6175.7-169.363.7000111.7Y93 A118 L124 D129 R134 E135 Y136Y93-L132 WeakPolarHBondContact OH-CD2 3.38Å; A118-L132 HydrophobicContact CB-CB 4.29Å; A118-L132 HydrophobicContact CB-CD2 4.13Å; A118-L132 HydrophobicContact CB-CG 4.2Å; L124-L132 HydrophobicContact CD1-CD2 4.37Å; D129-L132 HydrophobicContact CB-CB 3.94Å; D129-L132 VanDerWaalsContact CG-CB 3.46Å; D129-L132 PolarHBondContact O-N 2.87Å; D129-L132 PolarHBondContact OD1-N 3.23Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.32Å; L132-E135 PolarHBondContact O-N 2.91Å; L132-Y136 HydrophobicContact CD1-CD2 3.96Å; L132-Y136 HydrophobicContact CD1-CE2 3.64Å; L132-Y136 HydrophobicContact CG-CD2 4.07Å; L132-Y136 HydrophobicContact CG-CE2 4.08Å; L132-Y136 WeakPolarHBondContact O-CD2 3Å; L132-Y136 PolarHBondContact O-N 3.38Å; L132-Y136 VanDerWaalsContact O-N 3.13Å
133A96.4Very high95.4Very high0 Ų046.9 Ų46.90%029%0.285CS..Hα-helixtrans-56.3-45.7175.800000112.1G115 A118 H119 D129 T131 Y136 Y137 M155G115-A133 WeakPolarHBondContact O-CB 3.1Å; A118-A133 HydrophobicContact CB-CB 4.13Å; H119-A133 HydrophobicContact CB-CB 3.74Å; D129-A133 WeakPolarHBondContact O-CB 3.4Å; D129-A133 PolarHBondContact O-N 2.88Å; T131-A133 PolarHBondContact O-N 2.89Å; A133-Y136 PolarHBondContact O-N 3.07Å; A133-Y137 HydrophobicContact CB-CE2 4.31Å; A133-Y137 WeakPolarHBondContact O-CB 3.29Å; A133-Y137 VanDerWaalsContact O-CD2 3.24Å; A133-Y137 WeakPolarHBondContact O-CD2 3.49Å; A133-Y137 VanDerWaalsContact O-CG 3.31Å; A133-Y137 PolarHBondContact O-N 3.06Å; A133-M155 HydrophobicContact CB-CE 4.26Å
134R95.8Very high95.6Very high69 Ų6948.3 Ų48.326%0.2630%0.301SS..Hα-helixtrans-59.4-48.6177.3-177.3-174.761.2176.6-2.5111.2A130 T131 L132 Y136 Y137 E138 L152 M155A130-R134 WeakPolarHBondContact O-CB 3.16Å; A130-R134 PolarHBondContact O-N 2.82Å; A130-R134 VanDerWaalsContact O-N 3.07Å; T131-R134 WeakPolarHBondContact O-CB 3.39Å; T131-R134 PolarHBondContact O-N 3.07Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.32Å; R134-Y136 VanDerWaalsContact C-N 3.3Å; R134-Y136 PolarHBondContact O-N 3Å; R134-Y137 PolarHBondContact O-N 2.8Å; R134-E138 HydrophobicContact CG-CG 4.28Å; R134-E138 WeakPolarHBondContact CG-OE1 3.47Å; R134-E138 IonicContact NE-OE1 3.83Å; R134-E138 WeakPolarHBondContact O-CB 3.4Å; R134-E138 WeakPolarHBondContact O-CG 3.16Å; R134-E138 PolarHBondContact O-N 3.26Å; R134-L152 HydrophobicContact CB-CD2 4.47Å; R134-L152 HydrophobicContact CG-CD2 3.75Å; R134-M155 HydrophobicContact CB-CE 3.8Å
135E96.5Very high95.7Very high86 Ų8649 Ų4940%0.40230%0.303SS..Hα-helixtrans-57.3-43.7-179.3-71.2177.1-17300112.3T131 L132 E138 K139T131-E135 WeakPolarHBondContact O-CG 3.47Å; T131-E135 PolarHBondContact O-N 3.15Å; T131-E135 VanDerWaalsContact O-N 3.1Å; L132-E135 PolarHBondContact O-N 2.91Å; E135-E138 PolarHBondContact O-N 2.79Å; E135-K139 WeakPolarHBondContact O-CG 3.22Å; E135-K139 PolarHBondContact O-N 3.31Å; E135-K139 VanDerWaalsContact O-N 3.12Å
136Y98.3Very high96Very high22 Ų2242.8 Ų42.89%0.08627%0.271CS..Hα-helixtrans-73.9-36.3179.5-84.4-77.6000113C100 C111 V114 L132 A133 R134 E138 K139 A140C100-Y136 HydrophobicContact CB-CE1 4.41Å; C100-Y136 VanDerWaalsContact SG-CE1 3.55Å; C111-Y136 HydrophobicContact CB-CD1 4.28Å; C111-Y136 WeakPolarHBondContact O-CB 3.24Å; V114-Y136 HydrophobicContact CB-CD1 3.78Å; V114-Y136 HydrophobicContact CB-CD2 4.35Å; V114-Y136 HydrophobicContact CB-CE1 4.11Å; V114-Y136 HydrophobicContact CB-CG 3.91Å; V114-Y136 HydrophobicContact CG1-CD1 3.65Å; V114-Y136 HydrophobicContact CG1-CD2 3.45Å; V114-Y136 VanDerWaalsContact CG1-CD2 3.45Å; V114-Y136 HydrophobicContact CG1-CE1 3.72Å; V114-Y136 HydrophobicContact CG1-CE2 3.51Å; V114-Y136 HydrophobicContact CG1-CG 3.52Å; V114-Y136 HydrophobicContact CG2-CD1 4.39Å; V114-Y136 HydrophobicContact CG2-CE1 4.34Å; L132-Y136 HydrophobicContact CD1-CD2 3.96Å; L132-Y136 HydrophobicContact CD1-CE2 3.64Å; L132-Y136 HydrophobicContact CG-CD2 4.07Å; L132-Y136 HydrophobicContact CG-CE2 4.08Å; L132-Y136 WeakPolarHBondContact O-CD2 3Å; L132-Y136 PolarHBondContact O-N 3.38Å; L132-Y136 VanDerWaalsContact O-N 3.13Å; A133-Y136 PolarHBondContact O-N 3.07Å; R134-Y136 VanDerWaalsContact C-N 3.3Å; R134-Y136 PolarHBondContact O-N 3Å; Y136-E138 VanDerWaalsContact C-N 3.35Å; Y136-K139 HydrophobicContact CD1-CD 4.44Å; Y136-K139 PolarHBondContact O-N 3.43Å; Y136-A140 WeakPolarHBondContact O-CB 3.46Å; Y136-A140 PolarHBondContact O-N 2.83Å
137Y98.4Very high96.4Very high4 Ų441.2 Ų41.22%0.01625%0.248CC..Hα-helixtrans-65.6-37170.6-68.6-37.1000112.4H112 G115 L116 A133 R134 A140 C141 S148 N151 M155H112-Y137 AromaticContact CE1-CE1 3.98Å; H112-Y137 AromaticContact ND1-CD1 3.95Å; H112-Y137 AromaticContact ND1-CE1 3.68Å; G115-Y137 VanDerWaalsContact C-CZ 3.47Å; L116-Y137 VanDerWaalsContact CA-OH 3.22Å; L116-Y137 WeakPolarHBondContact CA-OH 3.34Å; L116-Y137 PolarHBondContact N-OH 2.77Å; A133-Y137 HydrophobicContact CB-CE2 4.31Å; A133-Y137 WeakPolarHBondContact O-CB 3.29Å; A133-Y137 VanDerWaalsContact O-CD2 3.24Å; A133-Y137 WeakPolarHBondContact O-CD2 3.49Å; A133-Y137 VanDerWaalsContact O-CG 3.31Å; A133-Y137 PolarHBondContact O-N 3.06Å; R134-Y137 PolarHBondContact O-N 2.8Å; Y137-A140 PolarHBondContact O-N 3.16Å; Y137-C141 WeakPolarHBondContact O-CB 3.37Å; Y137-C141 PolarHBondContact O-N 3.22Å; Y137-S148 WeakPolarHBondContact O-CB 3.29Å; Y137-N151 HydrophobicContact CD2-CB 4.01Å; Y137-N151 HydrophobicContact CE1-CB 4.36Å; Y137-N151 HydrophobicContact CE2-CB 3.78Å; Y137-N151 HydrophobicContact CG-CB 4.38Å; Y137-N151 PolarHBondContact OH-ND2 3.36Å; Y137-N151 VanDerWaalsContact OH-ND2 3.15Å; Y137-M155 HydrophobicContact CD2-SD 3.62Å; Y137-M155 HydrophobicContact CE2-SD 3.85Å
138E98Very high96.7Very high67 Ų6740.1 Ų40.131%0.31324%0.236SC..Hα-helixtrans-60.4-46.4175-79.6173.5177.600110.8R134 E135 Y136 C141 A142 L152R134-E138 HydrophobicContact CG-CG 4.28Å; R134-E138 WeakPolarHBondContact CG-OE1 3.47Å; R134-E138 IonicContact NE-OE1 3.83Å; R134-E138 WeakPolarHBondContact O-CB 3.4Å; R134-E138 WeakPolarHBondContact O-CG 3.16Å; R134-E138 PolarHBondContact O-N 3.26Å; E135-E138 PolarHBondContact O-N 2.79Å; Y136-E138 VanDerWaalsContact C-N 3.35Å; E138-C141 PolarHBondContact O-N 3.22Å; E138-A142 VanDerWaalsContact O-CB 3.24Å; E138-A142 WeakPolarHBondContact O-CB 3.42Å; E138-A142 PolarHBondContact O-N 3.08Å; E138-L152 HydrophobicContact CB-CD1 4.47Å; E138-L152 HydrophobicContact CG-CD1 3.93Å; E138-L152 HydrophobicContact CG-CD2 3.89Å
139K97.9Very high97Very high99 Ų9936.7 Ų36.743%0.4321%0.214SC..Hα-helixtrans-57.8-49.9173.6-70.8174.7-175.9175.40111.9C111 E135 Y136 A142 G143C111-K139 HydrophobicContact CB-CB 4.48Å; E135-K139 WeakPolarHBondContact O-CG 3.22Å; E135-K139 PolarHBondContact O-N 3.31Å; E135-K139 VanDerWaalsContact O-N 3.12Å; Y136-K139 HydrophobicContact CD1-CD 4.44Å; Y136-K139 PolarHBondContact O-N 3.43Å; K139-A142 PolarHBondContact O-N 3.27Å; K139-G143 PolarHBondContact O-N 2.87Å
140A98.4Very high97.2Very high0 Ų036 Ų360%021%0.208CC..Hα-helixtrans-66.1-40.9-178.200000112.6I108 C111 H112 Y136 Y137 G143 G144 F145 S148I108-A140 HydrophobicContact CG2-CB 4.46Å; C111-A140 HydrophobicContact CB-CB 3.97Å; H112-A140 HydrophobicContact CB-CB 4.17Å; Y136-A140 WeakPolarHBondContact O-CB 3.46Å; Y136-A140 PolarHBondContact O-N 2.83Å; Y137-A140 PolarHBondContact O-N 3.16Å; A140-G143 CarbonylContact O-C 3.56Å; A140-G143 WeakPolarHBondContact O-CA 3.47Å; A140-G143 PolarHBondContact O-N 3.47Å; A140-G144 PolarHBondContact O-N 2.98Å; A140-F145 HydrophobicContact CB-CB 4.14Å; A140-F145 VanDerWaalsContact O-CB 3.29Å; A140-F145 WeakPolarHBondContact O-CB 3.14Å; A140-F145 PolarHBondContact O-N 2.91Å; A140-S148 WeakPolarHBondContact CB-OG 3.29Å
141C98.5Very high97.4Very high1 Ų137 Ų371%0.00721%0.211CC..Hα-helixtrans-66.4-39.3176176.10000112Y137 E138 G143 G144 C149 L152 R177Y137-C141 WeakPolarHBondContact O-CB 3.37Å; Y137-C141 PolarHBondContact O-N 3.22Å; E138-C141 PolarHBondContact O-N 3.22Å; C141-G143 VanDerWaalsContact C-N 3.27Å; C141-G143 PolarHBondContact O-N 3.22Å; C141-G144 PolarHBondContact O-N 2.98Å; C141-G144 VanDerWaalsContact O-N 3.09Å; C141-C149 WeakPolarHBondContact CA-SG 2.93Å; C141-C149 HydrophobicContact CB-CB 4Å; C141-C149 WeakPolarHBondContact CB-SG 3.37Å; C141-C149 WeakPolarHBondContact SG-CA 3.49Å; C141-C149 WeakPolarHBondContact SG-CB 3.34Å; C141-C149 CovalentContact SG-SG 2.03Å; C141-C149 PolarHBondContact SG-SG 2.9Å; C141-L152 HydrophobicContact CB-CD1 3.78Å; C141-R177 PolarHBondContact O-NE 3.2Å; C141-R177 VanDerWaalsContact O-NE 3.11Å; C141-R177 PolarHBondContact O-NH2 2.79Å; C141-R177 VanDerWaalsContact SG-CD 3.54Å
142A97.8Very high97.7Very high71 Ų7134.5 Ų34.559%0.58720%0.196SC*.Hα-helixtrans-60.4-39.7171.900000111.2E138 K139 G144 R177E138-A142 VanDerWaalsContact O-CB 3.24Å; E138-A142 WeakPolarHBondContact O-CB 3.42Å; E138-A142 PolarHBondContact O-N 3.08Å; K139-A142 PolarHBondContact O-N 3.27Å; A142-G144 PolarHBondContact O-N 2.81Å; A142-R177 PolarHBondContact O-NH2 3.32Å; A142-R177 VanDerWaalsContact O-NH2 3.08Å
143G96.9Very high97.8Very high44 Ų4432.7 Ų32.745%0.45419%0.187SC..THydrogen-bonded Turntrans-74.35.2172.800000116K139 A140 C141K139-G143 PolarHBondContact O-N 2.87Å; A140-G143 CarbonylContact O-C 3.56Å; A140-G143 WeakPolarHBondContact O-CA 3.47Å; A140-G143 PolarHBondContact O-N 3.47Å; C141-G143 VanDerWaalsContact C-N 3.27Å; C141-G143 PolarHBondContact O-N 3.22Å
144G97.4Very high97.8Very high35 Ų3534 Ų3436%0.36120%0.197SC..THydrogen-bonded Turntrans88.911.1174.400000115.5A140 C141 A142 A146A140-G144 PolarHBondContact O-N 2.98Å; C141-G144 PolarHBondContact O-N 2.98Å; C141-G144 VanDerWaalsContact O-N 3.09Å; A142-G144 PolarHBondContact O-N 2.81Å; G144-A146 PolarHBondContact O-N 3.08Å; G144-A146 VanDerWaalsContact O-N 3.13Å
145F98.1Very high97.8Very high52 Ų5231.5 Ų31.523%0.22819%0.188CC..  trans-78.598.8175.9-153.3-108.4000111.2I108 D109 H112 A140 P147 S148 C149I108-F145 HydrophobicContact CG2-CB 3.72Å; I108-F145 HydrophobicContact CG2-CD2 4.42Å; I108-F145 HydrophobicContact CG2-CG 4.4Å; D109-F145 HydrophobicContact CB-CE2 4.44Å; H112-F145 HydrophobicContact CB-CD1 3.57Å; H112-F145 HydrophobicContact CB-CE1 3.61Å; H112-F145 HydrophobicContact CB-CG 4.41Å; H112-F145 HydrophobicContact CB-CZ 4.47Å; H112-F145 AromaticContact CD2-CE1 3.56Å; H112-F145 AromaticContact CG-CD1 3.57Å; H112-F145 AromaticContact CG-CE1 3.31Å; H112-F145 AromaticContact ND1-CD1 3.69Å; H112-F145 AromaticContact ND1-CE1 3.65Å; A140-F145 HydrophobicContact CB-CB 4.14Å; A140-F145 VanDerWaalsContact O-CB 3.29Å; A140-F145 WeakPolarHBondContact O-CB 3.14Å; A140-F145 PolarHBondContact O-N 2.91Å; F145-P147 VanDerWaalsContact C-CD 3.49Å; F145-P147 HydrophobicContact CD1-CB 4.05Å; F145-P147 HydrophobicContact CD1-CG 4.03Å; F145-P147 HydrophobicContact CE1-CB 3.82Å; F145-P147 HydrophobicContact CE1-CG 3.67Å; F145-P147 HydrophobicContact CZ-CG 4.21Å; F145-S148 WeakPolarHBondContact O-CB 3.35Å; F145-S148 PolarHBondContact O-N 2.71Å; F145-C149 PolarHBondContact O-N 3.24Å
146A98.2Very high97.7Very high13 Ų1328.5 Ų28.511%0.10717%0.174CC..Hα-helixtrans-53.4-42.8-174.600000114.3G144 S148 C149 F150 L181 H183G144-A146 PolarHBondContact O-N 3.08Å; G144-A146 VanDerWaalsContact O-N 3.13Å; A146-S148 VanDerWaalsContact C-N 3.29Å; A146-S148 PolarHBondContact O-N 2.87Å; A146-C149 WeakPolarHBondContact O-CB 3.4Å; A146-C149 PolarHBondContact O-N 2.96Å; A146-C149 VanDerWaalsContact O-N 3.15Å; A146-F150 PolarHBondContact O-N 3.47Å; A146-F150 VanDerWaalsContact O-N 3.07Å; A146-L181 HydrophobicContact CB-CB 3.49Å; A146-L181 VanDerWaalsContact CB-CB 3.49Å; A146-L181 HydrophobicContact CB-CD1 4.37Å; A146-H183 HydrophobicContact CB-CB 3.84Å
147P98.1Very high97.6Very high40 Ų4030.5 Ų30.526%0.2619%0.186SC..Hα-helixtrans-59.5-35.1176.5-26.235.7000113.9F145 F150 N151F145-P147 VanDerWaalsContact C-CD 3.49Å; F145-P147 HydrophobicContact CD1-CB 4.05Å; F145-P147 HydrophobicContact CD1-CG 4.03Å; F145-P147 HydrophobicContact CE1-CB 3.82Å; F145-P147 HydrophobicContact CE1-CG 3.67Å; F145-P147 HydrophobicContact CZ-CG 4.21Å; P147-F150 PolarHBondContact O-N 3.27Å; P147-N151 PolarHBondContact O-N 3.46Å
148S98.5Very high97.2Very high0 Ų036.9 Ų36.90%022%0.216CC..Hα-helixtrans-68-38.3176.5-65.70000112.1H112 Y137 A140 F145 A146 F150 N151 L152H112-S148 WeakPolarHBondContact CB-OG 3.24Å; H112-S148 PolarHBondContact ND1-OG 3.3Å; Y137-S148 WeakPolarHBondContact O-CB 3.29Å; A140-S148 WeakPolarHBondContact CB-OG 3.29Å; F145-S148 WeakPolarHBondContact O-CB 3.35Å; F145-S148 PolarHBondContact O-N 2.71Å; A146-S148 VanDerWaalsContact C-N 3.29Å; A146-S148 PolarHBondContact O-N 2.87Å; S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.46Å; S148-N151 PolarHBondContact O-N 3.35Å; S148-L152 WeakPolarHBondContact O-CG 3.43Å; S148-L152 PolarHBondContact O-N 3.45Å
149C98.6Very high96.6Very high0 Ų034.4 Ų34.40%021%0.208CC..Hα-helixtrans-63.2-39.3173.5-590000111.2C141 F145 A146 L152 S153 Y174 A178 L181C141-C149 WeakPolarHBondContact CA-SG 2.93Å; C141-C149 HydrophobicContact CB-CB 4Å; C141-C149 WeakPolarHBondContact CB-SG 3.37Å; C141-C149 WeakPolarHBondContact SG-CA 3.49Å; C141-C149 WeakPolarHBondContact SG-CB 3.34Å; C141-C149 CovalentContact SG-SG 2.03Å; C141-C149 PolarHBondContact SG-SG 2.9Å; F145-C149 PolarHBondContact O-N 3.24Å; A146-C149 WeakPolarHBondContact O-CB 3.4Å; A146-C149 PolarHBondContact O-N 2.96Å; A146-C149 VanDerWaalsContact O-N 3.15Å; C149-L152 PolarHBondContact O-N 2.96Å; C149-S153 PolarHBondContact O-N 3.15Å; C149-Y174 WeakPolarHBondContact O-CB 3.5Å; C149-A178 HydrophobicContact CB-CB 3.68Å; C149-L181 VanDerWaalsContact SG-CD1 3.58Å
150F98.4Very high95.7Very high45 Ų4531.9 Ų31.920%0.19720%0.199CC..Hα-helixtrans-64.1-45.4174.9173.1-102.9000112.2A146 P147 S148 L152 S153 A154 A178 H183 W185 N189A146-F150 PolarHBondContact O-N 3.47Å; A146-F150 VanDerWaalsContact O-N 3.07Å; P147-F150 PolarHBondContact O-N 3.27Å; S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.46Å; F150-L152 VanDerWaalsContact C-N 3.32Å; F150-L152 PolarHBondContact O-N 3.28Å; F150-S153 WeakPolarHBondContact O-CA 3.29Å; F150-S153 VanDerWaalsContact O-CB 3.27Å; F150-S153 WeakPolarHBondContact O-CB 3.18Å; F150-S153 PolarHBondContact O-N 3.27Å; F150-S153 VanDerWaalsContact O-N 3.08Å; F150-A154 PolarHBondContact O-N 3.38Å; F150-A178 HydrophobicContact CB-CB 4.12Å; F150-H183 VanDerWaalsContact CB-CE1 3.5Å; F150-H183 WeakPolarHBondContact CB-CE1 3.27Å; F150-H183 AromaticContact CD1-CE1 3.56Å; F150-H183 AromaticContact CD2-CE1 3.78Å; F150-H183 AromaticContact CD2-ND1 3.77Å; F150-H183 AromaticContact CG-CE1 3.31Å; F150-H183 WeakPolarHBondContact CG-CE1 3.19Å; F150-H183 AromaticContact CG-ND1 3.6Å; F150-W185 HydrophobicContact CD2-CB 3.95Å; F150-W185 HydrophobicContact CE2-CB 3.45Å; F150-W185 VanDerWaalsContact CE2-CB 3.45Å; F150-W185 HydrophobicContact CZ-CB 3.79Å; F150-N189 WeakPolarHBondContact CE2-ND2 3.35Å
151N98Very high94.1Very high39 Ų3937.3 Ų37.321%0.20924%0.244CC..Hα-helixtrans-62.5-38.5177.4-72.1-1.5000112Y137 P147 S148 S153 A154 M155Y137-N151 HydrophobicContact CD2-CB 4.01Å; Y137-N151 HydrophobicContact CE1-CB 4.36Å; Y137-N151 HydrophobicContact CE2-CB 3.78Å; Y137-N151 HydrophobicContact CG-CB 4.38Å; Y137-N151 PolarHBondContact OH-ND2 3.36Å; Y137-N151 VanDerWaalsContact OH-ND2 3.15Å; P147-N151 PolarHBondContact O-N 3.46Å; S148-N151 PolarHBondContact O-N 3.35Å; N151-S153 VanDerWaalsContact C-N 3.32Å; N151-S153 PolarHBondContact O-N 2.91Å; N151-A154 PolarHBondContact O-N 3.06Å; N151-M155 VanDerWaalsContact O-CG 3.29Å; N151-M155 WeakPolarHBondContact O-CG 3.03Å; N151-M155 PolarHBondContact O-N 3.31Å
152L97.8Very high92.7Very high0 Ų044.3 Ų44.30%028%0.275CS..Hα-helixtrans-60.7-42.5172.2-72.9168000112R134 E138 C141 S148 C149 F150 A154 M155 F156 Y174R134-L152 HydrophobicContact CB-CD2 4.47Å; R134-L152 HydrophobicContact CG-CD2 3.75Å; E138-L152 HydrophobicContact CB-CD1 4.47Å; E138-L152 HydrophobicContact CG-CD1 3.93Å; E138-L152 HydrophobicContact CG-CD2 3.89Å; C141-L152 HydrophobicContact CB-CD1 3.78Å; S148-L152 WeakPolarHBondContact O-CG 3.43Å; S148-L152 PolarHBondContact O-N 3.45Å; C149-L152 PolarHBondContact O-N 2.96Å; F150-L152 VanDerWaalsContact C-N 3.32Å; F150-L152 PolarHBondContact O-N 3.28Å; L152-A154 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 3.47Å; L152-M155 PolarHBondContact O-N 3.04Å; L152-F156 WeakPolarHBondContact O-CD2 3.05Å; L152-F156 PolarHBondContact O-N 2.03Å; L152-Y174 HydrophobicContact CB-CD1 3.87Å; L152-Y174 HydrophobicContact CB-CD2 4.02Å; L152-Y174 HydrophobicContact CB-CE1 4.3Å; L152-Y174 HydrophobicContact CB-CE2 4.48Å; L152-Y174 HydrophobicContact CB-CG 3.72Å; L152-Y174 HydrophobicContact CD1-CD1 3.59Å; L152-Y174 HydrophobicContact CD1-CE1 3.36Å; L152-Y174 HydrophobicContact CD1-CG 4.28Å; L152-Y174 HydrophobicContact CG-CD1 4.39Å; L152-Y174 HydrophobicContact CG-CE1 4.42Å
153S97.8Very high91.2Very high0 Ų044 Ų440%028%0.279CS..Hα-helixtrans-56.8-48.8175.4-176.30000111.3C149 F150 N151 M155 F156 I157 A171 A175C149-S153 PolarHBondContact O-N 3.15Å; F150-S153 WeakPolarHBondContact O-CA 3.29Å; F150-S153 VanDerWaalsContact O-CB 3.27Å; F150-S153 WeakPolarHBondContact O-CB 3.18Å; F150-S153 PolarHBondContact O-N 3.27Å; F150-S153 VanDerWaalsContact O-N 3.08Å; N151-S153 VanDerWaalsContact C-N 3.32Å; N151-S153 PolarHBondContact O-N 2.91Å; S153-M155 PolarHBondContact O-N 3.28Å; S153-F156 PolarHBondContact O-N 2.88Å; S153-I157 WeakPolarHBondContact O-CG1 3.32Å; S153-I157 PolarHBondContact O-N 3.09Å; S153-A171 WeakPolarHBondContact CB-O 3.43Å; S153-A171 WeakPolarHBondContact O-CB 3.4Å; S153-A171 PolarHBondContact OG-O 3.19Å; S153-A175 WeakPolarHBondContact OG-CB 3.46Å
154A96.2Very high90.4Very high26 Ų2642.6 Ų42.622%0.21526%0.26CS..Hα-helixtrans-59.8-45.7176.700000112.1F150 N151 L152 F156 I157 E158F150-A154 PolarHBondContact O-N 3.38Å; N151-A154 PolarHBondContact O-N 3.06Å; L152-A154 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 3.47Å; A154-F156 VanDerWaalsContact C-N 3.29Å; A154-F156 PolarHBondContact O-N 3.11Å; A154-I157 WeakPolarHBondContact O-CB 3.47Å; A154-I157 PolarHBondContact O-N 3.46Å; A154-E158 PolarHBondContact O-N 3.13Å
155M95.4Very high89.9Confident17 Ų1745.4 Ų45.48%0.08428%0.275CS..Hα-helixtrans-60.6-35.9177.6-70.9178.474.400113A130 A133 R134 Y137 N151 L152 S153 G159 L164A130-M155 HydrophobicContact CB-CE 4.2Å; A130-M155 WeakPolarHBondContact O-CE 3.41Å; A133-M155 HydrophobicContact CB-CE 4.26Å; R134-M155 HydrophobicContact CB-CE 3.8Å; Y137-M155 HydrophobicContact CD2-SD 3.62Å; Y137-M155 HydrophobicContact CE2-SD 3.85Å; N151-M155 VanDerWaalsContact O-CG 3.29Å; N151-M155 WeakPolarHBondContact O-CG 3.03Å; N151-M155 PolarHBondContact O-N 3.31Å; L152-M155 PolarHBondContact O-N 3.04Å; S153-M155 PolarHBondContact O-N 3.28Å; M155-G159 WeakPolarHBondContact O-CA 3.47Å; M155-G159 PolarHBondContact O-N 3.08Å; M155-L164 HydrophobicContact CE-CD1 4.05Å
156F95.9Very high89.6Confident23 Ų2347 Ų4710%0.10129%0.29CS..Hα-helixtrans-77.2-23.4175.4-81-65.5000113.5L152 S153 A154 P166 N167 Q170 A171 Y174L152-F156 WeakPolarHBondContact O-CD2 3.05Å; L152-F156 PolarHBondContact O-N 2.03Å; S153-F156 PolarHBondContact O-N 2.88Å; A154-F156 VanDerWaalsContact C-N 3.29Å; A154-F156 PolarHBondContact O-N 3.11Å; F156-P166 CarbonylContact O-C 3.47Å; F156-P166 VanDerWaalsContact O-CA 3.27Å; F156-P166 WeakPolarHBondContact O-CA 3.32Å; F156-N167 HydrophobicContact CD1-CB 3.88Å; F156-N167 HydrophobicContact CE1-CB 4.48Å; F156-N167 PolarHBondContact O-N 3.21Å; F156-Q170 HydrophobicContact CB-CB 4.31Å; F156-Q170 HydrophobicContact CD1-CB 3.71Å; F156-Q170 HydrophobicContact CD1-CG 4.37Å; F156-Q170 HydrophobicContact CD2-CB 3.78Å; F156-Q170 HydrophobicContact CE1-CB 3.86Å; F156-Q170 HydrophobicContact CE1-CG 4.1Å; F156-Q170 HydrophobicContact CE2-CB 3.98Å; F156-Q170 HydrophobicContact CG-CB 3.66Å; F156-Q170 HydrophobicContact CZ-CB 4Å; F156-Q170 HydrophobicContact CZ-CG 4.26Å; F156-A171 HydrophobicContact CB-CB 3.75Å; F156-Y174 AromaticContact CD2-CD2 3.64Å; F156-Y174 HydrophobicContact CD2-CD2 3.64Å; F156-Y174 AromaticContact CD2-CE2 3.84Å; F156-Y174 HydrophobicContact CD2-CE2 3.84Å; F156-Y174 AromaticContact CE2-CD2 3.62Å; F156-Y174 HydrophobicContact CE2-CD2 3.62Å; F156-Y174 AromaticContact CE2-CE2 3.29Å; F156-Y174 HydrophobicContact CE2-CE2 3.29Å; F156-Y174 HydrophobicContact CZ-CE2 4.19Å
157I94.7Very high89.5Confident65 Ų6549.6 Ų49.633%0.33330%0.302SS..Hα-helixtrans-72.3-48.4171.7-67.8166.2000109.8S153 A154 M168 A171S153-I157 WeakPolarHBondContact O-CG1 3.32Å; S153-I157 PolarHBondContact O-N 3.09Å; A154-I157 WeakPolarHBondContact O-CB 3.47Å; A154-I157 PolarHBondContact O-N 3.46Å; I157-M168 HydrophobicContact CB-SD 4.44Å; I157-M168 HydrophobicContact CG1-CE 4.23Å; I157-M168 HydrophobicContact CG1-SD 4.13Å; I157-M168 HydrophobicContact CG2-SD 4.46Å; I157-A171 HydrophobicContact CD1-CB 4.36Å; I157-A171 HydrophobicContact CG1-CB 3.58Å
158E90.9Very high89.4Confident137 Ų13750.4 Ų50.464%0.6430%0.303SS*.Hα-helixtrans-77.8-38.1-174.2-67.7173.5-172.100112.4A154A154-E158 PolarHBondContact O-N 3.13Å
159G84.9Confident89.4Confident15 Ų1553.8 Ų53.816%0.15533%0.326CS..  trans61.6-165.3-164.100000112.3M155 L164M155-G159 WeakPolarHBondContact O-CA 3.47Å; M155-G159 PolarHBondContact O-N 3.08Å; G159-L164 CarbonylContact C-O 3.51Å; G159-L164 VanDerWaalsContact C-O 3.24Å; G159-L164 WeakPolarHBondContact CA-O 3.45Å
160N80Confident89.4Confident47 Ų4756.8 Ų56.825%0.25134%0.34SS..  trans-153.5163.916974.326.8000112.3A130 K162 G163 L164A130-N160 WeakPolarHBondContact CB-ND2 3.48Å; N160-K162 PolarHBondContact O-N 2.8Å; N160-K162 WeakPolarHBondContact OD1-CA 3.49Å; N160-K162 PolarHBondContact OD1-N 3.05Å; N160-G163 PolarHBondContact OD1-N 3.45Å; N160-L164 HydrophobicContact CB-CB 4.35Å; N160-L164 PolarHBondContact N-O 3.04Å; N160-L164 WeakPolarHBondContact ND2-CD1 3.31Å; N160-L164 WeakPolarHBondContact ND2-CG 3.39Å; N160-L164 WeakPolarHBondContact OD1-CB 3.27Å; N160-L164 PolarHBondContact OD1-N 2.94Å
161A64Low89.3Confident114 Ų11454.6 Ų54.694%0.94233%0.331SS*.THydrogen-bonded Turntrans-71.2-9.6176.800000114.6
162K68.7Low89.4Confident148 Ų14853.9 Ų53.964%0.64333%0.326SS*.THydrogen-bonded Turntrans-98.216.7-178.6-64.8-175.7-179.1177.60113.1P128 N160P128-K162 PolarHBondContact O-NZ 3.03Å; N160-K162 PolarHBondContact O-N 2.8Å; N160-K162 WeakPolarHBondContact OD1-CA 3.49Å; N160-K162 PolarHBondContact OD1-N 3.05Å
163G66.3Low89.4Confident65 Ų6559.8 Ų59.867%0.6735%0.352SS*.SBendtrans108.12.9171.300000116.3N160 S165N160-G163 PolarHBondContact OD1-N 3.45Å; G163-S165 PolarHBondContact O-N 3.4Å
164L79.8Confident89.4Confident14 Ų1461.4 Ų61.47%0.07336%0.358CS..  trans-83.189.6166.3-66.6169.9000108.5A130 M155 G159 N160A130-L164 HydrophobicContact CB-CD1 3.89Å; M155-L164 HydrophobicContact CE-CD1 4.05Å; G159-L164 CarbonylContact C-O 3.51Å; G159-L164 VanDerWaalsContact C-O 3.24Å; G159-L164 WeakPolarHBondContact CA-O 3.45Å; N160-L164 HydrophobicContact CB-CB 4.35Å; N160-L164 PolarHBondContact N-O 3.04Å; N160-L164 WeakPolarHBondContact ND2-CD1 3.31Å; N160-L164 WeakPolarHBondContact ND2-CG 3.39Å; N160-L164 WeakPolarHBondContact OD1-CB 3.27Å; N160-L164 PolarHBondContact OD1-N 2.94Å
165S87.1Confident89.5Confident94 Ų9460.1 Ų60.166%0.65735%0.348SS*.  trans-67.1142.4174.1-63.70000110.5G163 N167G163-S165 PolarHBondContact O-N 3.4Å; S165-N167 PolarHBondContact O-N 3.08Å
166P92.7Very high89.7Confident84 Ų8460.2 Ų60.255%0.54535%0.35SS..  trans-52139.2171.2-26.534.5000111.6F156F156-P166 CarbonylContact O-C 3.47Å; F156-P166 VanDerWaalsContact O-CA 3.27Å; F156-P166 WeakPolarHBondContact O-CA 3.32Å
167N95.6Very high89.8Confident68 Ų6863.4 Ų63.436%0.36436%0.361SS..  trans-144.394.8177-172.5-41.4000110F156 S165 S169 Q170 A171F156-N167 HydrophobicContact CD1-CB 3.88Å; F156-N167 HydrophobicContact CE1-CB 4.48Å; F156-N167 PolarHBondContact O-N 3.21Å; S165-N167 PolarHBondContact O-N 3.08Å; N167-S169 VanDerWaalsContact C-N 3.25Å; N167-S169 PolarHBondContact O-N 2.98Å; N167-S169 PolarHBondContact OD1-N 3.29Å; N167-Q170 HydrophobicContact CB-CB 4.21Å; N167-Q170 HydrophobicContact CB-CG 4.31Å; N167-Q170 PolarHBondContact O-N 3.47Å; N167-Q170 PolarHBondContact OD1-N 3.25Å; N167-A171 PolarHBondContact O-N 3.15Å
168M97.1Very high90Very high58 Ų5860.3 Ų60.329%0.28635%0.345SS..Hα-helixtrans-63.6-29.9-175.2-63-55.4-7400113.1I157 A171 F172 M193 D198I157-M168 HydrophobicContact CB-SD 4.44Å; I157-M168 HydrophobicContact CG1-CE 4.23Å; I157-M168 HydrophobicContact CG1-SD 4.13Å; I157-M168 HydrophobicContact CG2-SD 4.46Å; M168-A171 PolarHBondContact O-N 2.95Å; M168-F172 WeakPolarHBondContact O-CB 3.22Å; M168-F172 PolarHBondContact O-N 3.4Å; M168-M193 HydrophobicContact CE-CE 3.79Å; M168-M193 WeakPolarHBondContact O-CE 3.44Å; M168-D198 HydrophobicContact CE-CB 3.75Å
169S97.8Very high90.4Very high70 Ų7053.9 Ų53.949%0.4932%0.315SS..Hα-helixtrans-69.7-39.7176.6-62.80000112.6N167 F172 K173 G199N167-S169 VanDerWaalsContact C-N 3.25Å; N167-S169 PolarHBondContact O-N 2.98Å; N167-S169 PolarHBondContact OD1-N 3.29Å; S169-F172 PolarHBondContact O-N 2.76Å; S169-K173 PolarHBondContact O-N 3.07Å; S169-K173 VanDerWaalsContact O-N 3.08Å; S169-G199 WeakPolarHBondContact CA-O 3.41Å; S169-G199 PolarHBondContact OG-O 2.89Å; S169-G199 VanDerWaalsContact OG-O 3.05Å
170Q97.3Very high91Very high63 Ų6359.5 Ų59.529%0.29434%0.338SS..Hα-helixtrans-66.9-42.7170.6-69.3-62-30.100111F156 N167 F172 K173 Y174F156-Q170 HydrophobicContact CB-CB 4.31Å; F156-Q170 HydrophobicContact CD1-CB 3.71Å; F156-Q170 HydrophobicContact CD1-CG 4.37Å; F156-Q170 HydrophobicContact CD2-CB 3.78Å; F156-Q170 HydrophobicContact CE1-CB 3.86Å; F156-Q170 HydrophobicContact CE1-CG 4.1Å; F156-Q170 HydrophobicContact CE2-CB 3.98Å; F156-Q170 HydrophobicContact CG-CB 3.66Å; F156-Q170 HydrophobicContact CZ-CB 4Å; F156-Q170 HydrophobicContact CZ-CG 4.26Å; N167-Q170 HydrophobicContact CB-CB 4.21Å; N167-Q170 HydrophobicContact CB-CG 4.31Å; N167-Q170 PolarHBondContact O-N 3.47Å; N167-Q170 PolarHBondContact OD1-N 3.25Å; Q170-F172 VanDerWaalsContact C-N 3.26Å; Q170-F172 PolarHBondContact O-N 3.45Å; Q170-K173 WeakPolarHBondContact O-CB 3.33Å; Q170-K173 PolarHBondContact O-N 3.38Å; Q170-K173 VanDerWaalsContact O-N 3.15Å; Q170-Y174 HydrophobicContact CB-CD2 4.45Å; Q170-Y174 HydrophobicContact CB-CE2 4.48Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.47Å; Q170-Y174 PolarHBondContact O-N 2.92Å
171A98Very high91.9Very high0 Ų060.7 Ų60.70%034%0.344CS..Hα-helixtrans-55.5-42.8175.600000112.2S153 F156 I157 N167 M168 Y174 A175 M193S153-A171 WeakPolarHBondContact CB-O 3.43Å; S153-A171 WeakPolarHBondContact O-CB 3.4Å; S153-A171 PolarHBondContact OG-O 3.19Å; F156-A171 HydrophobicContact CB-CB 3.75Å; I157-A171 HydrophobicContact CD1-CB 4.36Å; I157-A171 HydrophobicContact CG1-CB 3.58Å; N167-A171 PolarHBondContact O-N 3.15Å; M168-A171 PolarHBondContact O-N 2.95Å; A171-Y174 PolarHBondContact O-N 2.88Å; A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.08Å; A171-M193 HydrophobicContact CB-CE 3.72Å
172F98.5Very high93.5Very high24 Ų2456.3 Ų56.311%0.10531%0.31CS..Hα-helixtrans-65.5-43.9177.9176.4-111.4000111.8M168 S169 Q170 Y174 A175 S176 A190 M193 C194 T200M168-F172 WeakPolarHBondContact O-CB 3.22Å; M168-F172 PolarHBondContact O-N 3.4Å; S169-F172 PolarHBondContact O-N 2.76Å; Q170-F172 VanDerWaalsContact C-N 3.26Å; Q170-F172 PolarHBondContact O-N 3.45Å; F172-Y174 VanDerWaalsContact C-N 3.35Å; F172-Y174 PolarHBondContact O-N 3.05Å; F172-A175 PolarHBondContact O-N 3.46Å; F172-S176 WeakPolarHBondContact CE2-OG 3.42Å; F172-S176 WeakPolarHBondContact CZ-OG 3.5Å; F172-S176 VanDerWaalsContact O-CB 3.32Å; F172-S176 WeakPolarHBondContact O-CB 3.47Å; F172-S176 PolarHBondContact O-N 2.99Å; F172-S176 PolarHBondContact O-OG 2.87Å; F172-A190 HydrophobicContact CE2-CB 4.24Å; F172-M193 HydrophobicContact CB-CE 3.68Å; F172-M193 HydrophobicContact CB-SD 4.12Å; F172-M193 HydrophobicContact CD2-CB 3.9Å; F172-M193 HydrophobicContact CD2-SD 4.29Å; F172-M193 VanDerWaalsContact N-CE 3.33Å; F172-C194 WeakPolarHBondContact CE2-SG 3.37Å; F172-T200 HydrophobicContact CD1-CG2 4.32Å; F172-T200 HydrophobicContact CD2-CG2 3.92Å; F172-T200 HydrophobicContact CE1-CG2 4.32Å; F172-T200 HydrophobicContact CE2-CG2 3.93Å; F172-T200 HydrophobicContact CG-CG2 4.11Å; F172-T200 HydrophobicContact CZ-CG2 4.13Å
173K98.5Very high94.9Very high124 Ų12450.8 Ų50.854%0.53929%0.286SS..Hα-helixtrans-57.7-47.5176.5-178.5-176.2175.3-173.40111.3S169 Q170 R177S169-K173 PolarHBondContact O-N 3.07Å; S169-K173 VanDerWaalsContact O-N 3.08Å; Q170-K173 WeakPolarHBondContact O-CB 3.33Å; Q170-K173 PolarHBondContact O-N 3.38Å; Q170-K173 VanDerWaalsContact O-N 3.15Å; K173-R177 WeakPolarHBondContact O-CB 3.19Å; K173-R177 PolarHBondContact O-N 3.16Å
174Y98.7Very high96.4Very high33 Ų3348.3 Ų48.313%0.12926%0.258CS..Hα-helixtrans-72.4-36.5-179.8-75.8-67.5000113C149 L152 F156 Q170 A171 F172 R177 A178C149-Y174 WeakPolarHBondContact O-CB 3.5Å; L152-Y174 HydrophobicContact CB-CD1 3.87Å; L152-Y174 HydrophobicContact CB-CD2 4.02Å; L152-Y174 HydrophobicContact CB-CE1 4.3Å; L152-Y174 HydrophobicContact CB-CE2 4.48Å; L152-Y174 HydrophobicContact CB-CG 3.72Å; L152-Y174 HydrophobicContact CD1-CD1 3.59Å; L152-Y174 HydrophobicContact CD1-CE1 3.36Å; L152-Y174 HydrophobicContact CD1-CG 4.28Å; L152-Y174 HydrophobicContact CG-CD1 4.39Å; L152-Y174 HydrophobicContact CG-CE1 4.42Å; F156-Y174 AromaticContact CD2-CD2 3.64Å; F156-Y174 HydrophobicContact CD2-CD2 3.64Å; F156-Y174 AromaticContact CD2-CE2 3.84Å; F156-Y174 HydrophobicContact CD2-CE2 3.84Å; F156-Y174 AromaticContact CE2-CD2 3.62Å; F156-Y174 HydrophobicContact CE2-CD2 3.62Å; F156-Y174 AromaticContact CE2-CE2 3.29Å; F156-Y174 HydrophobicContact CE2-CE2 3.29Å; F156-Y174 HydrophobicContact CZ-CE2 4.19Å; Q170-Y174 HydrophobicContact CB-CD2 4.45Å; Q170-Y174 HydrophobicContact CB-CE2 4.48Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.47Å; Q170-Y174 PolarHBondContact O-N 2.92Å; A171-Y174 PolarHBondContact O-N 2.88Å; F172-Y174 VanDerWaalsContact C-N 3.35Å; F172-Y174 PolarHBondContact O-N 3.05Å; Y174-R177 PolarHBondContact O-N 3.45Å; Y174-A178 WeakPolarHBondContact O-CB 3.33Å; Y174-A178 PolarHBondContact O-N 3.02Å
175A98.7Very high97.2Very high0 Ų055.7 Ų55.70%029%0.285CS..Hα-helixtrans-61.2-45.5172.100000111.6S153 A171 F172 A178 C179 G186 N189 A190 M193S153-A175 WeakPolarHBondContact OG-CB 3.46Å; A171-A175 WeakPolarHBondContact O-CB 3.49Å; A171-A175 PolarHBondContact O-N 3.08Å; F172-A175 PolarHBondContact O-N 3.46Å; A175-A178 WeakPolarHBondContact O-CB 3.22Å; A175-A178 PolarHBondContact O-N 3.42Å; A175-C179 PolarHBondContact O-N 3.23Å; A175-G186 CarbonylContact O-C 3.59Å; A175-N189 HydrophobicContact CB-CB 4.09Å; A175-A190 HydrophobicContact CB-CB 3.95Å; A175-M193 HydrophobicContact CB-SD 4.36Å
176S98.6Very high97.8Very high18 Ų1851.2 Ų51.213%0.12625%0.254CS..Hα-helixtrans-62.1-46177.6-59.90000111F172 A178 C179 E180F172-S176 WeakPolarHBondContact CE2-OG 3.42Å; F172-S176 WeakPolarHBondContact CZ-OG 3.5Å; F172-S176 VanDerWaalsContact O-CB 3.32Å; F172-S176 WeakPolarHBondContact O-CB 3.47Å; F172-S176 PolarHBondContact O-N 2.99Å; F172-S176 PolarHBondContact O-OG 2.87Å; S176-A178 PolarHBondContact O-N 3.32Å; S176-C179 WeakPolarHBondContact O-CA 3.42Å; S176-C179 VanDerWaalsContact O-CB 3.28Å; S176-C179 WeakPolarHBondContact O-CB 3.45Å; S176-C179 PolarHBondContact O-N 3.3Å; S176-C179 VanDerWaalsContact O-N 3.12Å; S176-E180 WeakPolarHBondContact O-CG 3.3Å; S176-E180 PolarHBondContact O-N 2.96Å
177R98.6Very high98Very high90 Ų9047.2 Ų47.234%0.3423%0.228SC..Hα-helixtrans-61.7-41.9174.9-175.6174.8174.8104.80.2112.6C141 A142 K173 Y174 C179 E180 L181C141-R177 PolarHBondContact O-NE 3.2Å; C141-R177 VanDerWaalsContact O-NE 3.11Å; C141-R177 PolarHBondContact O-NH2 2.79Å; C141-R177 VanDerWaalsContact SG-CD 3.54Å; A142-R177 PolarHBondContact O-NH2 3.32Å; A142-R177 VanDerWaalsContact O-NH2 3.08Å; K173-R177 WeakPolarHBondContact O-CB 3.19Å; K173-R177 PolarHBondContact O-N 3.16Å; Y174-R177 PolarHBondContact O-N 3.45Å; R177-C179 VanDerWaalsContact C-N 3.26Å; R177-C179 PolarHBondContact O-N 3.29Å; R177-E180 PolarHBondContact O-N 3.29Å; R177-L181 HydrophobicContact CG-CD1 4.11Å; R177-L181 VanDerWaalsContact O-CG 3.3Å; R177-L181 WeakPolarHBondContact O-CG 3.41Å; R177-L181 PolarHBondContact O-N 3.4Å
178A98.7Very high98.1Very high0 Ų045.6 Ų45.60%022%0.224CC..Hα-helixtrans-59.5-41174.600000111C149 F150 Y174 A175 S176 L181 G182 H183C149-A178 HydrophobicContact CB-CB 3.68Å; F150-A178 HydrophobicContact CB-CB 4.12Å; Y174-A178 WeakPolarHBondContact O-CB 3.33Å; Y174-A178 PolarHBondContact O-N 3.02Å; A175-A178 WeakPolarHBondContact O-CB 3.22Å; A175-A178 PolarHBondContact O-N 3.42Å; S176-A178 PolarHBondContact O-N 3.32Å; A178-L181 CarbonylContact O-C 3.11Å; A178-L181 PolarHBondContact O-N 3.42Å; A178-G182 PolarHBondContact O-N 3.39Å; A178-H183 HydrophobicContact CB-CB 3.99Å; A178-H183 WeakPolarHBondContact O-CB 3.38Å; A178-H183 PolarHBondContact O-N 2.85Å
179C98.6Very high98.2Very high2 Ų244.9 Ų44.91%0.01422%0.221CC..Hα-helixtrans-65.1-42.1175.8-175.80000113.5A175 S176 R177 L181 G182 C187 L210 R213A175-C179 PolarHBondContact O-N 3.23Å; S176-C179 WeakPolarHBondContact O-CA 3.42Å; S176-C179 VanDerWaalsContact O-CB 3.28Å; S176-C179 WeakPolarHBondContact O-CB 3.45Å; S176-C179 PolarHBondContact O-N 3.3Å; S176-C179 VanDerWaalsContact O-N 3.12Å; R177-C179 VanDerWaalsContact C-N 3.26Å; R177-C179 PolarHBondContact O-N 3.29Å; C179-L181 PolarHBondContact O-N 2.99Å; C179-G182 PolarHBondContact O-N 3.49Å; C179-C187 WeakPolarHBondContact CA-SG 3.34Å; C179-C187 HydrophobicContact CB-CB 3.8Å; C179-C187 WeakPolarHBondContact CB-SG 3.44Å; C179-C187 WeakPolarHBondContact SG-CA 3.4Å; C179-C187 WeakPolarHBondContact SG-CB 3.41Å; C179-C187 CovalentContact SG-SG 2.03Å; C179-C187 PolarHBondContact SG-SG 3.41Å; C179-L210 HydrophobicContact CB-CD2 4.47Å; C179-R213 PolarHBondContact O-NE 2.94Å; C179-R213 VanDerWaalsContact O-NE 3.1Å; C179-R213 PolarHBondContact O-NH2 3.28Å; C179-R213 VanDerWaalsContact SG-CD 3.55Å
180E98.3Very high98.2Very high134 Ų13441.6 Ų41.663%0.62620%0.198SC*.Hα-helixtrans-58.2-40.4173.9-72.5164.5-168.300111S176 R177 G182 R213S176-E180 WeakPolarHBondContact O-CG 3.3Å; S176-E180 PolarHBondContact O-N 2.96Å; R177-E180 PolarHBondContact O-N 3.29Å; E180-G182 PolarHBondContact O-N 3.2Å; E180-R213 PolarHBondContact O-NH2 2.94Å
181L97.9Very high98.3Very high71 Ų7139.2 Ų39.237%0.37219%0.189SC..THydrogen-bonded Turntrans-78.25175.6-64169.7000114.1A146 C149 R177 A178 C179A146-L181 HydrophobicContact CB-CB 3.49Å; A146-L181 VanDerWaalsContact CB-CB 3.49Å; A146-L181 HydrophobicContact CB-CD1 4.37Å; C149-L181 VanDerWaalsContact SG-CD1 3.58Å; R177-L181 HydrophobicContact CG-CD1 4.11Å; R177-L181 VanDerWaalsContact O-CG 3.3Å; R177-L181 WeakPolarHBondContact O-CG 3.41Å; R177-L181 PolarHBondContact O-N 3.4Å; A178-L181 CarbonylContact O-C 3.11Å; A178-L181 PolarHBondContact O-N 3.42Å; C179-L181 PolarHBondContact O-N 2.99Å
182G97.5Very high98.3Very high22 Ų2246 Ų4623%0.22721%0.214CC..THydrogen-bonded Turntrans87.315.9173.400000115.4A178 C179 E180 V184A178-G182 PolarHBondContact O-N 3.39Å; C179-G182 PolarHBondContact O-N 3.49Å; E180-G182 PolarHBondContact O-N 3.2Å; G182-V184 PolarHBondContact O-N 3.35Å
183H98.2Very high98.3Very high33 Ų3345 Ų4515%0.15321%0.21CC..  trans-80.4114.2175.6-162.1-97.9000111.5A146 F150 A178 W185 G186 C187A146-H183 HydrophobicContact CB-CB 3.84Å; F150-H183 VanDerWaalsContact CB-CE1 3.5Å; F150-H183 WeakPolarHBondContact CB-CE1 3.27Å; F150-H183 AromaticContact CD1-CE1 3.56Å; F150-H183 AromaticContact CD2-CE1 3.78Å; F150-H183 AromaticContact CD2-ND1 3.77Å; F150-H183 AromaticContact CG-CE1 3.31Å; F150-H183 WeakPolarHBondContact CG-CE1 3.19Å; F150-H183 AromaticContact CG-ND1 3.6Å; A178-H183 HydrophobicContact CB-CB 3.99Å; A178-H183 WeakPolarHBondContact O-CB 3.38Å; A178-H183 PolarHBondContact O-N 2.85Å; H183-W185 PolarHBondContact O-N 3.34Å; H183-G186 PolarHBondContact ND1-N 3.1Å; H183-G186 VanDerWaalsContact ND1-N 3.16Å; H183-G186 WeakPolarHBondContact O-CA 3.5Å; H183-G186 PolarHBondContact O-N 3.03Å; H183-C187 PolarHBondContact O-N 3.04Å; H183-C187 VanDerWaalsContact O-N 3.1Å
184V98.1Very high98.3Very high13 Ų1339.1 Ų39.18%0.07918%0.184CC..Hα-helixtrans-52-51.7-178.9175.70000112.1G182 G186 C187 A188 L217 H218 E221G182-V184 PolarHBondContact O-N 3.35Å; V184-G186 VanDerWaalsContact C-N 3.26Å; V184-G186 PolarHBondContact O-N 3.44Å; V184-C187 WeakPolarHBondContact O-CB 3.37Å; V184-C187 PolarHBondContact O-N 3.28Å; V184-A188 PolarHBondContact O-N 3.01Å; V184-L217 HydrophobicContact CG2-CB 3.66Å; V184-H218 HydrophobicContact CG1-CB 4.07Å; V184-H218 HydrophobicContact CG2-CB 4.17Å; V184-E221 WeakPolarHBondContact CG2-OE2 3.39Å
185W97.5Very high98.2Very high168 Ų16843 Ų4364%0.63620%0.202SC*.Hα-helixtrans-70.6-23.2-178.9-58.8108.7000113.1F150 H183 A188 N189F150-W185 HydrophobicContact CD2-CB 3.95Å; F150-W185 HydrophobicContact CE2-CB 3.45Å; F150-W185 VanDerWaalsContact CE2-CB 3.45Å; F150-W185 HydrophobicContact CZ-CB 3.79Å; H183-W185 PolarHBondContact O-N 3.34Å; W185-A188 HydrophobicContact CE3-CB 4.49Å; W185-N189 WeakPolarHBondContact O-CB 3.32Å; W185-N189 PolarHBondContact O-N 3.48Å
186G98.1Very high98.2Very high0 Ų047.3 Ų47.30%022%0.224CC..Hα-helixtrans-65.7-45.9171.700000110.8A175 H183 V184 N189 A190A175-G186 CarbonylContact O-C 3.59Å; H183-G186 PolarHBondContact ND1-N 3.1Å; H183-G186 VanDerWaalsContact ND1-N 3.16Å; H183-G186 WeakPolarHBondContact O-CA 3.5Å; H183-G186 PolarHBondContact O-N 3.03Å; V184-G186 VanDerWaalsContact C-N 3.26Å; V184-G186 PolarHBondContact O-N 3.44Å; G186-N189 PolarHBondContact O-N 3.31Å; G186-A190 WeakPolarHBondContact O-CB 3.44Å; G186-A190 PolarHBondContact O-N 3.28Å
187C98.6Very high98.1Very high0 Ų047.7 Ų47.70%023%0.232CC..Hα-helixtrans-62.7-43.8174.8-62.90000112.4C179 H183 V184 N189 A190 S191 A214 L217C179-C187 WeakPolarHBondContact CA-SG 3.34Å; C179-C187 HydrophobicContact CB-CB 3.8Å; C179-C187 WeakPolarHBondContact CB-SG 3.44Å; C179-C187 WeakPolarHBondContact SG-CA 3.4Å; C179-C187 WeakPolarHBondContact SG-CB 3.41Å; C179-C187 CovalentContact SG-SG 2.03Å; C179-C187 PolarHBondContact SG-SG 3.41Å; H183-C187 PolarHBondContact O-N 3.04Å; H183-C187 VanDerWaalsContact O-N 3.1Å; V184-C187 WeakPolarHBondContact O-CB 3.37Å; V184-C187 PolarHBondContact O-N 3.28Å; C187-N189 PolarHBondContact O-N 3.15Å; C187-A190 PolarHBondContact O-N 3.42Å; C187-S191 VanDerWaalsContact O-CB 3.27Å; C187-S191 WeakPolarHBondContact O-CB 3.28Å; C187-S191 PolarHBondContact O-N 3.14Å; C187-A214 HydrophobicContact CB-CB 3.63Å; C187-L217 VanDerWaalsContact SG-CD1 3.57Å
188A97.9Very high97.9Very high35 Ų3545.9 Ų45.929%0.28923%0.229SC..Hα-helixtrans-61.4-44177.800000112.1V184 W185 S191 R192V184-A188 PolarHBondContact O-N 3.01Å; W185-A188 HydrophobicContact CE3-CB 4.49Å; A188-S191 PolarHBondContact O-N 3.48Å; A188-R192 PolarHBondContact O-N 2.84Å
189N97.4Very high97.7Very high43 Ų4347 Ų4723%0.2324%0.24CC..Hα-helixtrans-64.1-49176.2-80.76.3000111.6F150 A175 W185 G186 C187 S191 R192 M193F150-N189 WeakPolarHBondContact CE2-ND2 3.35Å; A175-N189 HydrophobicContact CB-CB 4.09Å; W185-N189 WeakPolarHBondContact O-CB 3.32Å; W185-N189 PolarHBondContact O-N 3.48Å; G186-N189 PolarHBondContact O-N 3.31Å; C187-N189 PolarHBondContact O-N 3.15Å; N189-S191 VanDerWaalsContact C-N 3.29Å; N189-S191 PolarHBondContact O-N 3.47Å; N189-R192 PolarHBondContact O-N 2.88Å; N189-M193 VanDerWaalsContact O-CG 3.22Å; N189-M193 WeakPolarHBondContact O-CG 3.3Å; N189-M193 PolarHBondContact O-N 3.12Å
190A98.4Very high97.7Very high0 Ų048.8 Ų48.80%025%0.251CS..Hα-helixtrans-60.3-39.8178.600000111.9F172 A175 G186 C187 M193 C194 L210F172-A190 HydrophobicContact CE2-CB 4.24Å; A175-A190 HydrophobicContact CB-CB 3.95Å; G186-A190 WeakPolarHBondContact O-CB 3.44Å; G186-A190 PolarHBondContact O-N 3.28Å; C187-A190 PolarHBondContact O-N 3.42Å; A190-M193 PolarHBondContact O-N 2.95Å; A190-C194 PolarHBondContact O-N 3.01Å; A190-C194 PolarHBondContact O-SG 3.47Å; A190-L210 HydrophobicContact CB-CD1 3.81Å; A190-L210 HydrophobicContact CB-CD2 4.4Å
191S98.6Very high97.7Very high14 Ų1450.5 Ų50.510%0.09826%0.259CS..Hα-helixtrans-59.3-50.2174.51740000111.8C187 A188 N189 M193 C194 K195 A207C187-S191 VanDerWaalsContact O-CB 3.27Å; C187-S191 WeakPolarHBondContact O-CB 3.28Å; C187-S191 PolarHBondContact O-N 3.14Å; A188-S191 PolarHBondContact O-N 3.48Å; N189-S191 VanDerWaalsContact C-N 3.29Å; N189-S191 PolarHBondContact O-N 3.47Å; S191-M193 VanDerWaalsContact C-N 3.31Å; S191-M193 PolarHBondContact O-N 3.1Å; S191-C194 PolarHBondContact O-N 3.01Å; S191-K195 PolarHBondContact O-N 3.43Å; S191-A207 WeakPolarHBondContact CB-O 3Å; S191-A207 WeakPolarHBondContact O-CB 3.5Å; S191-A207 PolarHBondContact OG-O 2.87Å
192R98.2Very high97.7Very high141 Ų14153.5 Ų53.553%0.53227%0.269SS..Hα-helixtrans-59.4-42.9177.5-177.2-176.1172.7-73.8-1.7111.3A188 N189 K195 L196 D198A188-R192 PolarHBondContact O-N 2.84Å; N189-R192 PolarHBondContact O-N 2.88Å; R192-K195 PolarHBondContact O-N 2.89Å; R192-L196 HydrophobicContact CG-CD1 3.9Å; R192-L196 VanDerWaalsContact CZ-CD1 3.42Å; R192-L196 WeakPolarHBondContact O-CG 3.38Å; R192-L196 PolarHBondContact O-N 2.03Å; R192-D198 IonicContact NH1-OD2 2.71Å; R192-D198 PolarHBondContact NH1-OD2 3.35Å
193M98.3Very high97.7Very high4 Ų455.7 Ų55.72%0.0228%0.276CS..Hα-helixtrans-64.5-44.4179.7-67.7174.39100112.1M168 A171 F172 A175 N189 A190 S191 K195 L196 G197 D198M168-M193 HydrophobicContact CE-CE 3.79Å; M168-M193 WeakPolarHBondContact O-CE 3.44Å; A171-M193 HydrophobicContact CB-CE 3.72Å; F172-M193 HydrophobicContact CB-CE 3.68Å; F172-M193 HydrophobicContact CB-SD 4.12Å; F172-M193 HydrophobicContact CD2-CB 3.9Å; F172-M193 HydrophobicContact CD2-SD 4.29Å; F172-M193 VanDerWaalsContact N-CE 3.33Å; A175-M193 HydrophobicContact CB-SD 4.36Å; N189-M193 VanDerWaalsContact O-CG 3.22Å; N189-M193 WeakPolarHBondContact O-CG 3.3Å; N189-M193 PolarHBondContact O-N 3.12Å; A190-M193 PolarHBondContact O-N 2.95Å; S191-M193 VanDerWaalsContact C-N 3.31Å; S191-M193 PolarHBondContact O-N 3.1Å; M193-K195 VanDerWaalsContact C-N 3.32Å; M193-K195 PolarHBondContact O-N 3Å; M193-L196 PolarHBondContact O-N 3.29Å; M193-G197 WeakPolarHBondContact O-CA 3.39Å; M193-G197 PolarHBondContact O-N 3.01Å; M193-D198 HydrophobicContact CB-CB 4.38Å; M193-D198 WeakPolarHBondContact CE-O 3.32Å; M193-D198 HydrophobicContact CG-CB 4.33Å; M193-D198 PolarHBondContact O-N 2.85Å
194C98.4Very high97.7Very high0 Ų058.7 Ų58.70%029%0.29CS..Hα-helixtrans-60.6-39.5172.6-73.40000112.6F172 A190 S191 K202 D203 A207F172-C194 WeakPolarHBondContact CE2-SG 3.37Å; A190-C194 PolarHBondContact O-N 3.01Å; A190-C194 PolarHBondContact O-SG 3.47Å; S191-C194 PolarHBondContact O-N 3.01Å; C194-K202 CarbonylContact O-C 3.42Å; C194-K202 VanDerWaalsContact O-CA 3.31Å; C194-K202 WeakPolarHBondContact O-CA 3.38Å; C194-D203 PolarHBondContact O-N 3.35Å; C194-A207 HydrophobicContact CB-CB 3.85Å
195K98.1Very high97.7Very high116 Ų11665.7 Ų65.750%0.50432%0.319SS..Hα-helixtrans-66.1-38.7179.7-176.5174.2-178.21790112.5S191 R192 M193 K202 A207S191-K195 PolarHBondContact O-N 3.43Å; R192-K195 PolarHBondContact O-N 2.89Å; M193-K195 VanDerWaalsContact C-N 3.32Å; M193-K195 PolarHBondContact O-N 3Å; K195-K202 VanDerWaalsContact O-CE 3.24Å; K195-K202 WeakPolarHBondContact O-CE 3.34Å; K195-A207 HydrophobicContact CB-CB 3.91Å
196L97.4Very high97.7Very high89 Ų8961.7 Ų61.747%0.46631%0.306SS..Hα-helixtrans-88.6-21.3-177.2-63.9176.3000113.1R192 M193 D198R192-L196 HydrophobicContact CG-CD1 3.9Å; R192-L196 VanDerWaalsContact CZ-CD1 3.42Å; R192-L196 WeakPolarHBondContact O-CG 3.38Å; R192-L196 PolarHBondContact O-N 2.03Å; M193-L196 PolarHBondContact O-N 3.29Å; L196-D198 HydrophobicContact CB-CB 4.45Å; L196-D198 WeakPolarHBondContact CD1-OD2 3.17Å
197G97.1Very high97.7Very high27 Ų2761.9 Ų61.928%0.27831%0.307SS..THydrogen-bonded Turntrans76.626.4-167.700000112.7M193 G199 T200M193-G197 WeakPolarHBondContact O-CA 3.39Å; M193-G197 PolarHBondContact O-N 3.01Å; G197-G199 PolarHBondContact O-N 2.95Å; G197-T200 CarbonylContact C-O 3.58Å; G197-T200 WeakPolarHBondContact CA-O 3.46Å
198D95.2Very high97.7Very high52 Ų5265.6 Ų65.628%0.27833%0.325SS..SBendtrans-82.7101.6-178.1-73.5-14000109.6M168 R192 M193 L196 T200M168-D198 HydrophobicContact CE-CB 3.75Å; R192-D198 IonicContact NH1-OD2 2.71Å; R192-D198 PolarHBondContact NH1-OD2 3.35Å; M193-D198 HydrophobicContact CB-CB 4.38Å; M193-D198 WeakPolarHBondContact CE-O 3.32Å; M193-D198 HydrophobicContact CG-CB 4.33Å; M193-D198 PolarHBondContact O-N 2.85Å; L196-D198 HydrophobicContact CB-CB 4.45Å; L196-D198 WeakPolarHBondContact CD1-OD2 3.17Å; D198-T200 PolarHBondContact O-N 3.35Å
199G94.8Very high97.7Very high23 Ų2368.3 Ų68.324%0.23733%0.334CS..SBendtrans76.63.2179.300000115.3S169 G197S169-G199 WeakPolarHBondContact CA-O 3.41Å; S169-G199 PolarHBondContact OG-O 2.89Å; S169-G199 VanDerWaalsContact OG-O 3.05Å; G197-G199 PolarHBondContact O-N 2.95Å
200T97.6Very high97.8Very high40 Ų4067.4 Ų67.425%0.24533%0.329CS..SBendtrans-146.5165.8174.6-179.90000108.7F172 G197 D198F172-T200 HydrophobicContact CD1-CG2 4.32Å; F172-T200 HydrophobicContact CD2-CG2 3.92Å; F172-T200 HydrophobicContact CE1-CG2 4.32Å; F172-T200 HydrophobicContact CE2-CG2 3.93Å; F172-T200 HydrophobicContact CG-CG2 4.11Å; F172-T200 HydrophobicContact CZ-CG2 4.13Å; G197-T200 CarbonylContact C-O 3.58Å; G197-T200 WeakPolarHBondContact CA-O 3.46Å; D198-T200 PolarHBondContact O-N 3.35Å
201E97.4Very high97.8Very high170 Ų17070.8 Ų70.879%0.79434%0.344SS*.  trans-64.8148.8167.1-66.1-178.2177.200110.8D203E201-D203 PolarHBondContact O-N 3.43Å
202K98.1Very high97.7Very high134 Ų13472.7 Ų72.758%0.58335%0.354SS*.  trans-67.3123.1176.4-178.1176.7176.6178.80110C194 K195 E204C194-K202 CarbonylContact O-C 3.42Å; C194-K202 VanDerWaalsContact O-CA 3.31Å; C194-K202 WeakPolarHBondContact O-CA 3.38Å; K195-K202 VanDerWaalsContact O-CE 3.24Å; K195-K202 WeakPolarHBondContact O-CE 3.34Å; K202-E204 WeakPolarHBondContact CE-OE1 3.27Å; K202-E204 IonicContact NZ-OE1 3Å; K202-E204 PolarHBondContact NZ-OE1 3.05Å
203D98.1Very high97.7Very high68 Ų6870.8 Ų70.836%0.36435%0.346SS..  trans-144.3100179.1-174.6-19.2000110.2C194 E201 K205 K206 A207C194-D203 PolarHBondContact O-N 3.35Å; E201-D203 PolarHBondContact O-N 3.43Å; D203-K205 VanDerWaalsContact C-N 3.32Å; D203-K205 PolarHBondContact O-N 3.27Å; D203-K205 PolarHBondContact OD1-N 3.34Å; D203-K206 HydrophobicContact CB-CB 3.97Å; D203-K206 PolarHBondContact OD1-N 2.94Å; D203-K206 WeakPolarHBondContact OD2-CB 3.4Å; D203-A207 VanDerWaalsContact O-CB 3.3Å; D203-A207 WeakPolarHBondContact O-CB 3.01Å; D203-A207 PolarHBondContact O-N 3.4Å
204E97.7Very high97.7Very high96 Ų9671 Ų7145%0.44935%0.349SS..Hα-helixtrans-66.6-32.9-179.3-65.5-75.4177.800112.1K202 A207 E208K202-E204 WeakPolarHBondContact CE-OE1 3.27Å; K202-E204 IonicContact NZ-OE1 3Å; K202-E204 PolarHBondContact NZ-OE1 3.05Å; E204-A207 PolarHBondContact O-N 3.35Å; E204-E208 PolarHBondContact O-N 3.16Å
205K98.1Very high97.7Very high159 Ų15978.2 Ų78.269%0.69138%0.376SS*.Hα-helixtrans-69.2-50.7-179.9-176.9-176.7176.4-174.90109.9D203 A207 E208 D209D203-K205 VanDerWaalsContact C-N 3.32Å; D203-K205 PolarHBondContact O-N 3.27Å; D203-K205 PolarHBondContact OD1-N 3.34Å; K205-A207 VanDerWaalsContact C-N 3.27Å; K205-A207 PolarHBondContact O-N 3.46Å; K205-E208 PolarHBondContact O-N 3.06Å; K205-E208 VanDerWaalsContact O-N 3.12Å; K205-D209 PolarHBondContact O-N 3.21Å
206K97.8Very high97.6Very high84 Ų8479.2 Ų79.237%0.36538%0.383SS..Hα-helixtrans-62-36.7176.4-174.2175.6179.3179.50111.8D203 D209 L210D203-K206 HydrophobicContact CB-CB 3.97Å; D203-K206 PolarHBondContact OD1-N 2.94Å; D203-K206 WeakPolarHBondContact OD2-CB 3.4Å; K206-D209 PolarHBondContact O-N 3.03Å; K206-L210 HydrophobicContact CG-CD1 4.04Å; K206-L210 WeakPolarHBondContact O-CB 3.33Å; K206-L210 WeakPolarHBondContact O-CD1 3.34Å; K206-L210 VanDerWaalsContact O-CG 3.28Å; K206-L210 WeakPolarHBondContact O-CG 3.44Å; K206-L210 PolarHBondContact O-N 2.99Å
207A98.4Very high97.5Very high4 Ų476.6 Ų76.63%0.03337%0.369CS..Hα-helixtrans-60.5-44.7173.600000111.9S191 C194 K195 D203 E204 K205 K211S191-A207 WeakPolarHBondContact CB-O 3Å; S191-A207 WeakPolarHBondContact O-CB 3.5Å; S191-A207 PolarHBondContact OG-O 2.87Å; C194-A207 HydrophobicContact CB-CB 3.85Å; K195-A207 HydrophobicContact CB-CB 3.91Å; D203-A207 VanDerWaalsContact O-CB 3.3Å; D203-A207 WeakPolarHBondContact O-CB 3.01Å; D203-A207 PolarHBondContact O-N 3.4Å; E204-A207 PolarHBondContact O-N 3.35Å; K205-A207 VanDerWaalsContact C-N 3.27Å; K205-A207 PolarHBondContact O-N 3.46Å; A207-K211 WeakPolarHBondContact O-CB 3.47Å; A207-K211 PolarHBondContact O-N 3.43Å
208E98.4Very high97.4Very high79 Ų7980.5 Ų80.537%0.36938%0.38SS..Hα-helixtrans-65-43.5177.5-16861.5-15400112E204 K205 L210 K211 N212E204-E208 PolarHBondContact O-N 3.16Å; K205-E208 PolarHBondContact O-N 3.06Å; K205-E208 VanDerWaalsContact O-N 3.12Å; E208-L210 PolarHBondContact O-N 3.26Å; E208-K211 VanDerWaalsContact CD-CE 3.44Å; E208-K211 WeakPolarHBondContact O-CB 3.5Å; E208-K211 PolarHBondContact O-N 3.44Å; E208-K211 WeakPolarHBondContact OE1-CE 3.48Å; E208-K211 IonicContact OE1-NZ 3.75Å; E208-K211 PolarHBondContact OE1-NZ 3.19Å; E208-K211 VanDerWaalsContact OE2-CE 3.26Å; E208-K211 WeakPolarHBondContact OE2-CE 3.28Å; E208-K211 IonicContact OE2-NZ 3.9Å; E208-K211 PolarHBondContact OE2-NZ 3.03Å; E208-N212 PolarHBondContact O-N 3.4Å; E208-N212 PolarHBondContact O-ND2 2.99Å
209D98.4Very high97.3Very high91 Ų9179.5 Ų79.549%0.48738%0.381SS..Hα-helixtrans-59.7-47177.5-67.5-20.3000111.3K205 K206 K211 N212 R213K205-D209 PolarHBondContact O-N 3.21Å; K206-D209 PolarHBondContact O-N 3.03Å; D209-K211 VanDerWaalsContact C-N 3.33Å; D209-K211 PolarHBondContact O-N 2.9Å; D209-N212 PolarHBondContact O-N 3.5Å; D209-R213 PolarHBondContact O-N 2.91Å
210L98.6Very high97.2Very high24 Ų2480.3 Ų80.313%0.12639%0.386CS..Hα-helixtrans-64.2-36.9176.5-72.3166.5000112.3C179 A190 K206 E208 A214C179-L210 HydrophobicContact CB-CD2 4.47Å; A190-L210 HydrophobicContact CB-CD1 3.81Å; A190-L210 HydrophobicContact CB-CD2 4.4Å; K206-L210 HydrophobicContact CG-CD1 4.04Å; K206-L210 WeakPolarHBondContact O-CB 3.33Å; K206-L210 WeakPolarHBondContact O-CD1 3.34Å; K206-L210 VanDerWaalsContact O-CG 3.28Å; K206-L210 WeakPolarHBondContact O-CG 3.44Å; K206-L210 PolarHBondContact O-N 2.99Å; E208-L210 PolarHBondContact O-N 3.26Å; L210-A214 PolarHBondContact O-N 3.39Å
211K98.3Very high96.7Very high71 Ų7181.6 Ų81.631%0.30939%0.389SS..Hα-helixtrans-65.4-42175.9-170.6-175.273.9-169.30111.4A207 E208 D209 A214 R215A207-K211 WeakPolarHBondContact O-CB 3.47Å; A207-K211 PolarHBondContact O-N 3.43Å; E208-K211 VanDerWaalsContact CD-CE 3.44Å; E208-K211 WeakPolarHBondContact O-CB 3.5Å; E208-K211 PolarHBondContact O-N 3.44Å; E208-K211 WeakPolarHBondContact OE1-CE 3.48Å; E208-K211 IonicContact OE1-NZ 3.75Å; E208-K211 PolarHBondContact OE1-NZ 3.19Å; E208-K211 VanDerWaalsContact OE2-CE 3.26Å; E208-K211 WeakPolarHBondContact OE2-CE 3.28Å; E208-K211 IonicContact OE2-NZ 3.9Å; E208-K211 PolarHBondContact OE2-NZ 3.03Å; D209-K211 VanDerWaalsContact C-N 3.33Å; D209-K211 PolarHBondContact O-N 2.9Å; K211-A214 WeakPolarHBondContact O-CB 3.24Å; K211-A214 PolarHBondContact O-N 3.33Å; K211-R215 WeakPolarHBondContact O-CG 3.3Å; K211-R215 PolarHBondContact O-N 3.34Å; K211-R215 VanDerWaalsContact O-N 3.16Å
212N98.2Very high96.2Very high55 Ų5579.6 Ų79.629%0.29438%0.378SS..Hα-helixtrans-66.9-42.9177.7-70.3-26.8000111.2E208 D209 A214 R215 E216E208-N212 PolarHBondContact O-N 3.4Å; E208-N212 PolarHBondContact O-ND2 2.99Å; D209-N212 PolarHBondContact O-N 3.5Å; N212-A214 VanDerWaalsContact C-N 3.31Å; N212-A214 PolarHBondContact O-N 3.35Å; N212-R215 WeakPolarHBondContact O-CB 3.31Å; N212-R215 PolarHBondContact O-N 3.33Å; N212-R215 PolarHBondContact OD1-NH1 2.91Å; N212-E216 WeakPolarHBondContact O-CG 3.43Å; N212-E216 PolarHBondContact O-N 3.42Å
213R98.1Very high95.6Very high100 Ų10079 Ų7938%0.37738%0.377SS..Hα-helixtrans-57.3-41.7171.5-177.2173.2174.4112.1-0.6112.7C179 E180 D209 R215 E216 L217C179-R213 PolarHBondContact O-NE 2.94Å; C179-R213 VanDerWaalsContact O-NE 3.1Å; C179-R213 PolarHBondContact O-NH2 3.28Å; C179-R213 VanDerWaalsContact SG-CD 3.55Å; E180-R213 PolarHBondContact O-NH2 2.94Å; D209-R213 PolarHBondContact O-N 2.91Å; R213-R215 VanDerWaalsContact C-N 3.29Å; R213-R215 PolarHBondContact O-N 2.97Å; R213-E216 PolarHBondContact O-N 3.41Å; R213-L217 HydrophobicContact CG-CD1 3.99Å; R213-L217 HydrophobicContact CG-CG 4.41Å; R213-L217 WeakPolarHBondContact O-CB 3.31Å; R213-L217 VanDerWaalsContact O-CG 3.31Å; R213-L217 WeakPolarHBondContact O-CG 3.47Å; R213-L217 PolarHBondContact O-N 3.2Å
214A97.6Very high94.9Very high10 Ų1083.4 Ų83.48%0.08339%0.389CS..Hα-helixtrans-59.4-41.1175.600000111.9C187 L210 K211 N212 H218C187-A214 HydrophobicContact CB-CB 3.63Å; L210-A214 PolarHBondContact O-N 3.39Å; K211-A214 WeakPolarHBondContact O-CB 3.24Å; K211-A214 PolarHBondContact O-N 3.33Å; N212-A214 VanDerWaalsContact C-N 3.31Å; N212-A214 PolarHBondContact O-N 3.35Å; A214-H218 WeakPolarHBondContact O-CB 2.91Å; A214-H218 PolarHBondContact O-N 2.98Å
215R97.6Very high93.7Very high150 Ų15086 Ų8657%0.56640%0.401SS*.Hα-helixtrans-66.2-43.3177.3-68.9168.3172.2169.4-9.9112.1K211 N212 R213 H218 G219K211-R215 WeakPolarHBondContact O-CG 3.3Å; K211-R215 PolarHBondContact O-N 3.34Å; K211-R215 VanDerWaalsContact O-N 3.16Å; N212-R215 WeakPolarHBondContact O-CB 3.31Å; N212-R215 PolarHBondContact O-N 3.33Å; N212-R215 PolarHBondContact OD1-NH1 2.91Å; R213-R215 VanDerWaalsContact C-N 3.29Å; R213-R215 PolarHBondContact O-N 2.97Å; R215-H218 PolarHBondContact O-N 3.32Å; R215-G219 PolarHBondContact O-N 2.92Å
216E97.2Very high92.5Very high137 Ų13784.4 Ų84.464%0.6440%0.399SS*.Hα-helixtrans-60.6-48.9176.6-70.6168.7-175.200111.4N212 R213 H218 G219 A220N212-E216 WeakPolarHBondContact O-CG 3.43Å; N212-E216 PolarHBondContact O-N 3.42Å; R213-E216 PolarHBondContact O-N 3.41Å; E216-H218 VanDerWaalsContact C-N 3.34Å; E216-H218 PolarHBondContact O-N 3.03Å; E216-G219 PolarHBondContact O-N 3.48Å; E216-A220 PolarHBondContact O-N 3Å
217L95.7Very high90.9Very high35 Ų3587.7 Ų87.718%0.18341%0.414CS..Hα-helixtrans-60.5-43.9177.4-71.4168.4000111.5V184 C187 R213 G219 A220 E221V184-L217 HydrophobicContact CG2-CB 3.66Å; C187-L217 VanDerWaalsContact SG-CD1 3.57Å; R213-L217 HydrophobicContact CG-CD1 3.99Å; R213-L217 HydrophobicContact CG-CG 4.41Å; R213-L217 WeakPolarHBondContact O-CB 3.31Å; R213-L217 VanDerWaalsContact O-CG 3.31Å; R213-L217 WeakPolarHBondContact O-CG 3.47Å; R213-L217 PolarHBondContact O-N 3.2Å; L217-G219 PolarHBondContact O-N 2.97Å; L217-A220 PolarHBondContact O-N 2.66Å; L217-E221 WeakPolarHBondContact O-CG 3.46Å; L217-E221 PolarHBondContact O-N 3Å
218H94.3Very high88.1Confident109 Ų10997.1 Ų97.151%0.50545%0.454SS..Hα-helixtrans-64.1-40.7177.8-174.159.7000112.4V184 A214 R215 E216 E221 K222V184-H218 HydrophobicContact CG1-CB 4.07Å; V184-H218 HydrophobicContact CG2-CB 4.17Å; A214-H218 WeakPolarHBondContact O-CB 2.91Å; A214-H218 PolarHBondContact O-N 2.98Å; R215-H218 PolarHBondContact O-N 3.32Å; E216-H218 VanDerWaalsContact C-N 3.34Å; E216-H218 PolarHBondContact O-N 3.03Å; H218-E221 PolarHBondContact O-N 3.49Å; H218-K222 PolarHBondContact O-N 3.45Å
219G94Very high86Confident30 Ų3097.3 Ų97.331%0.30948%0.477SS..Hα-helixtrans-59.8-48.8173.400000112R215 E216 L217 E221 K222 E223R215-G219 PolarHBondContact O-N 2.92Å; E216-G219 PolarHBondContact O-N 3.48Å; L217-G219 PolarHBondContact O-N 2.97Å; G219-E221 VanDerWaalsContact C-N 3.34Å; G219-E221 PolarHBondContact O-N 3.02Å; G219-K222 PolarHBondContact O-N 3.19Å; G219-E223 WeakPolarHBondContact O-CG 3.39Å; G219-E223 PolarHBondContact O-N 3.12Å
220A91Very high83.2Confident40 Ų40104.5 Ų104.533%0.33151%0.508SS..Hα-helixtrans-64.9-33.6178.300000113.4E216 L217 R224E216-A220 PolarHBondContact O-N 3Å; L217-A220 PolarHBondContact O-N 2.66Å; A220-R224 WeakPolarHBondContact O-CB 3.45Å; A220-R224 WeakPolarHBondContact O-CG 3.43Å; A220-R224 PolarHBondContact O-N 3.47Å; A220-R224 VanDerWaalsContact O-N 3.14Å; A220-R224 PolarHBondContact O-NE 3.37Å
221E88.2Confident82.4Confident67 Ų67108.5 Ų108.531%0.31353%0.527SS..Hα-helixtrans-64.1-46.2171.1-77178171.300111.7V184 L217 H218 G219 R224 Q225V184-E221 WeakPolarHBondContact CG2-OE2 3.39Å; L217-E221 WeakPolarHBondContact O-CG 3.46Å; L217-E221 PolarHBondContact O-N 3Å; H218-E221 PolarHBondContact O-N 3.49Å; G219-E221 VanDerWaalsContact C-N 3.34Å; G219-E221 PolarHBondContact O-N 3.02Å; E221-R224 PolarHBondContact O-N 3.46Å; E221-Q225 WeakPolarHBondContact O-CG 3.26Å; E221-Q225 PolarHBondContact O-N 2.95Å
222K86.6Confident81.6Confident128 Ų128110.5 Ų110.556%0.55754%0.538SS*.Hα-helixtrans-62.8-43.4178.5-171178.7179.8-1780111.9H218 G219 R224 Q225 L226H218-K222 PolarHBondContact O-N 3.45Å; G219-K222 PolarHBondContact O-N 3.19Å; K222-R224 VanDerWaalsContact C-N 3.34Å; K222-R224 PolarHBondContact O-N 2.95Å; K222-Q225 PolarHBondContact O-N 3.33Å; K222-L226 HydrophobicContact CG-CD1 4.37Å; K222-L226 VanDerWaalsContact O-CG 3.32Å; K222-L226 WeakPolarHBondContact O-CG 3.02Å; K222-L226 PolarHBondContact O-N 2.91Å; K222-L226 VanDerWaalsContact O-N 3.15Å
223E86.2Confident80.7Confident123 Ų123113.6 Ų113.658%0.57555%0.552SS**Hα-helixtrans-62-40.1175.8-73.6178.3-17300112.5G219 L226 K227G219-E223 WeakPolarHBondContact O-CG 3.39Å; G219-E223 PolarHBondContact O-N 3.12Å; E223-L226 PolarHBondContact O-N 2.96Å; E223-K227 WeakPolarHBondContact O-CG 3.33Å; E223-K227 PolarHBondContact O-N 2.58Å
224R82.1Confident79.7Confident159 Ų159114.4 Ų114.460%0.656%0.562SS**Hα-helixtrans-65.3-37.8175.9-77.9-178-71.4-174.82.2112.5A220 E221 K222 L226 K227A220-R224 WeakPolarHBondContact O-CB 3.45Å; A220-R224 WeakPolarHBondContact O-CG 3.43Å; A220-R224 PolarHBondContact O-N 3.47Å; A220-R224 VanDerWaalsContact O-N 3.14Å; A220-R224 PolarHBondContact O-NE 3.37Å; E221-R224 PolarHBondContact O-N 3.46Å; K222-R224 VanDerWaalsContact C-N 3.34Å; K222-R224 PolarHBondContact O-N 2.95Å; R224-L226 VanDerWaalsContact C-N 3.29Å; R224-L226 PolarHBondContact O-N 2.93Å; R224-K227 PolarHBondContact O-N 3.3Å
225Q73.9Confident78.5Confident151 Ų151120.9 Ų120.971%0.70659%0.592SS**Hα-helixtrans-65.9-32.5176.2-72.6176.75.100112.5E221 K222 K227E221-Q225 WeakPolarHBondContact O-CG 3.26Å; E221-Q225 PolarHBondContact O-N 2.95Å; K222-Q225 PolarHBondContact O-N 3.33Å; Q225-K227 VanDerWaalsContact C-N 3.34Å
226L72.9Confident77.3Confident125 Ų125118.9 Ų118.965%0.65459%0.594SS**Hα-helixtrans-75-19.7179.9-68.8168.1000113.7K222 E223 R224 F228K222-L226 HydrophobicContact CG-CD1 4.37Å; K222-L226 VanDerWaalsContact O-CG 3.32Å; K222-L226 WeakPolarHBondContact O-CG 3.02Å; K222-L226 PolarHBondContact O-N 2.91Å; K222-L226 VanDerWaalsContact O-N 3.15Å; E223-L226 PolarHBondContact O-N 2.96Å; R224-L226 VanDerWaalsContact C-N 3.29Å; R224-L226 PolarHBondContact O-N 2.93Å; L226-F228 PolarHBondContact O-N 3.19Å
227K63.5Low75.9Confident154 Ų154117.6 Ų117.667%0.6759%0.59SS**THydrogen-bonded Turntrans-889.5-176.9-70.3-175.9-179.9-175.10115.2E223 R224 Q225 G229E223-K227 WeakPolarHBondContact O-CG 3.33Å; E223-K227 PolarHBondContact O-N 2.58Å; R224-K227 PolarHBondContact O-N 3.3Å; Q225-K227 VanDerWaalsContact C-N 3.34Å; K227-G229 PolarHBondContact O-N 2.71Å
228F38.9Very low74.3Confident202 Ų202124 Ų12489%0.88662%0.622SS**THydrogen-bonded Turntrans-91.198.1175.1-114.3-90.3000109.8L226L226-F228 PolarHBondContact O-N 3.19Å
229G54.2Low72.7Confident82 Ų82125.3 Ų125.385%0.84563%0.631SS**THydrogen-bonded Turntrans121.713.6174.400000116.9K227K227-G229 PolarHBondContact O-N 2.71Å
230E40.5Very low70.7Confident242 Ų242133.9 Ų133.9100%1.13166%0.661SS**  trans-94.20159.8-67.6-175.7161.900110.9

Retrieved 230 of 230 residues in 43.4 ms (Link to these results)

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