A0A087XSF5_POEFO Loading...

Eukaryotic translation elongation factor 1 epsilon 1

AlphaFold DB , UniProt , Accession A0A087XSF5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 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
1N77.4Confident93.2Very high80 Ų8044.1 Ų44.143%0.42822%0.218SC..  0129.60-177.2-37.3000107.4A3 L4 T24 K29N1-A3 PolarHBondContact OD1-N 2.67Å; N1-L4 HydrophobicContact CB-CB 4.39Å; N1-L4 HydrophobicContact CB-CD1 4.19Å; N1-L4 HydrophobicContact CB-CG 3.96Å; N1-L4 PolarHBondContact O-N 2.94Å; N1-T24 HydrophobicContact CB-CG2 4.29Å; N1-T24 WeakPolarHBondContact ND2-CG2 3.31Å; N1-K29 WeakPolarHBondContact ND2-CB 3.44Å; N1-K29 PolarHBondContact ND2-O 2.9Å
2M87.6Confident93.3Very high114 Ų11452.2 Ų52.256%0.56225%0.251SS*.Hα-helixtrans-59.4-51.3-177.4-173.4178.3-75.600111.5L4 R5 E6M2-L4 VanDerWaalsContact C-N 3.26Å; M2-L4 PolarHBondContact O-N 3.24Å; M2-L4 VanDerWaalsContact O-N 3.16Å; M2-R5 WeakPolarHBondContact O-CB 3.43Å; M2-R5 PolarHBondContact O-N 2.97Å; M2-E6 WeakPolarHBondContact O-CG 3.31Å; M2-E6 PolarHBondContact O-N 2.95Å; M2-E6 VanDerWaalsContact O-N 3.09Å
3A93.3Very high93.6Very high13 Ų1349.9 Ų49.911%0.10724%0.238CC..Hα-helixtrans-57-35.2-179.500000113.7N1 E6 L7 P31 L44N1-A3 PolarHBondContact OD1-N 2.67Å; A3-E6 PolarHBondContact O-N 3.07Å; A3-L7 WeakPolarHBondContact O-CG 3.43Å; A3-L7 PolarHBondContact O-N 3.19Å; A3-P31 HydrophobicContact CB-CB 4.47Å; A3-P31 HydrophobicContact CB-CG 4.15Å; A3-L44 HydrophobicContact CB-CD1 4.35Å
4L95.1Very high93.9Very high41 Ų4147.3 Ų47.322%0.21523%0.226CC..Hα-helixtrans-67.4-36176.1-63.5-168.2000113N1 M2 A8 Y22 T24 P31N1-L4 HydrophobicContact CB-CB 4.39Å; N1-L4 HydrophobicContact CB-CD1 4.19Å; N1-L4 HydrophobicContact CB-CG 3.96Å; N1-L4 PolarHBondContact O-N 2.94Å; M2-L4 VanDerWaalsContact C-N 3.26Å; M2-L4 PolarHBondContact O-N 3.24Å; M2-L4 VanDerWaalsContact O-N 3.16Å; L4-A8 WeakPolarHBondContact O-CB 3.48Å; L4-A8 PolarHBondContact O-N 3.34Å; L4-Y22 HydrophobicContact CD2-CG 4.15Å; L4-T24 HydrophobicContact CD1-CG2 3.91Å; L4-T24 HydrophobicContact CD2-CG2 4.24Å; L4-T24 HydrophobicContact CG-CG2 4.07Å; L4-P31 HydrophobicContact CD2-CB 3.73Å
5R94.5Very high94Very high176 Ų17647.7 Ų47.766%0.66425%0.247SC*.Hα-helixtrans-71.1-36.3176.7-67.8-178.4175.8175-2.1111.1M2 A8 S9M2-R5 WeakPolarHBondContact O-CB 3.43Å; M2-R5 PolarHBondContact O-N 2.97Å; R5-A8 PolarHBondContact O-N 3.11Å; R5-S9 WeakPolarHBondContact O-CB 3.31Å; R5-S9 PolarHBondContact O-N 2.67Å; R5-S9 PolarHBondContact O-OG 3.38Å; R5-S9 VanDerWaalsContact O-OG 3.04Å
6E95.6Very high94Very high9 Ų946.8 Ų46.84%0.04224%0.243CC..Hα-helixtrans-63.1-47.4173.6-63.2-176.8-169.400111.5M2 A3 A8 S9 L10 R78 Y120M2-E6 WeakPolarHBondContact O-CG 3.31Å; M2-E6 PolarHBondContact O-N 2.95Å; M2-E6 VanDerWaalsContact O-N 3.09Å; A3-E6 PolarHBondContact O-N 3.07Å; E6-A8 PolarHBondContact O-N 3.16Å; E6-S9 PolarHBondContact O-N 2.91Å; E6-L10 WeakPolarHBondContact O-CB 3.34Å; E6-L10 PolarHBondContact O-N 3.34Å; E6-R78 VanDerWaalsContact CD-NH2 3.32Å; E6-R78 IonicContact OE1-CZ 3.86Å; E6-R78 IonicContact OE1-NH1 3.61Å; E6-R78 IonicContact OE1-NH2 2.77Å; E6-R78 PolarHBondContact OE1-NH2 3.44Å; E6-R78 IonicContact OE2-CZ 3.22Å; E6-R78 IonicContact OE2-NH1 3.32Å; E6-R78 PolarHBondContact OE2-NH1 3.4Å; E6-R78 IonicContact OE2-NH2 2.81Å; E6-R78 PolarHBondContact OE2-NH2 2.72Å; E6-Y120 HydrophobicContact CB-CD2 3.85Å; E6-Y120 HydrophobicContact CB-CG 4.46Å; E6-Y120 HydrophobicContact CG-CD2 4.11Å; E6-Y120 HydrophobicContact CG-CG 4.23Å
7L97.1Very high93.4Very high0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-60.7-44.6175.7-72.8171.7000111.7A3 S9 L10 E11 Y22 P31 L44 I47 A48 L51A3-L7 WeakPolarHBondContact O-CG 3.43Å; A3-L7 PolarHBondContact O-N 3.19Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.43Å; L7-L10 WeakPolarHBondContact O-CB 3.32Å; L7-L10 PolarHBondContact O-N 3.29Å; L7-E11 WeakPolarHBondContact O-CG 3.5Å; L7-E11 PolarHBondContact O-N 3.24Å; L7-Y22 HydrophobicContact CB-CE1 4.14Å; L7-Y22 HydrophobicContact CB-CE2 4.22Å; L7-Y22 HydrophobicContact CD1-CD1 4.13Å; L7-Y22 HydrophobicContact CD1-CE1 4.03Å; L7-P31 HydrophobicContact CD1-CB 3.82Å; L7-P31 HydrophobicContact CD1-CG 4.28Å; L7-L44 HydrophobicContact CD1-CD1 4.34Å; L7-L44 HydrophobicContact CD2-CD1 3.83Å; L7-L44 HydrophobicContact CG-CD1 3.79Å; L7-I47 HydrophobicContact CD1-CB 4.29Å; L7-I47 HydrophobicContact CD1-CD1 4.11Å; L7-I47 HydrophobicContact CD1-CG2 3.96Å; L7-I47 HydrophobicContact CD2-CB 4.09Å; L7-I47 HydrophobicContact CD2-CG2 3.75Å; L7-I47 HydrophobicContact CG-CG2 4.46Å; L7-A48 HydrophobicContact CD2-CB 4.21Å; L7-L51 HydrophobicContact CD2-CD1 4.12Å
8A95.5Very high92.9Very high35 Ų3562.5 Ų62.529%0.28931%0.307SS..Hα-helixtrans-63-36.1176.400000112.8L4 R5 E6 K12L4-A8 WeakPolarHBondContact O-CB 3.48Å; L4-A8 PolarHBondContact O-N 3.34Å; R5-A8 PolarHBondContact O-N 3.11Å; E6-A8 PolarHBondContact O-N 3.16Å; A8-K12 WeakPolarHBondContact O-CG 2.83Å; A8-K12 PolarHBondContact O-N 3.26Å
9S95.8Very high92.3Very high3 Ų365.4 Ų65.42%0.02133%0.331CS..Hα-helixtrans-69.9-40.8173.4-64.90000111.3R5 E6 L7 E11 K12 Y13 Y120 H155 H156R5-S9 WeakPolarHBondContact O-CB 3.31Å; R5-S9 PolarHBondContact O-N 2.67Å; R5-S9 PolarHBondContact O-OG 3.38Å; R5-S9 VanDerWaalsContact O-OG 3.04Å; E6-S9 PolarHBondContact O-N 2.91Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.43Å; S9-E11 PolarHBondContact O-N 3.49Å; S9-K12 PolarHBondContact O-N 2.88Å; S9-Y13 PolarHBondContact O-N 3.38Å; S9-Y120 WeakPolarHBondContact CB-OH 3.32Å; S9-H155 PolarHBondContact O-CD2 3.17Å; S9-H155 PolarHBondContact O-NE2 2.88Å; S9-H156 PolarHBondContact OG-CD2 3.48Å; S9-H156 VanDerWaalsContact OG-CD2 3.3Å; S9-H156 PolarHBondContact OG-NE2 3.16Å; S9-H156 VanDerWaalsContact OG-NE2 3.14Å
10L97.3Very high92.2Very high0 Ų064.3 Ų64.30%033%0.326CS..Hα-helixtrans-59.9-45.1174.2178.162.5000111.7E6 L7 K12 Y13 L14 A48 L51 L113 V116 L117 Y120E6-L10 WeakPolarHBondContact O-CB 3.34Å; E6-L10 PolarHBondContact O-N 3.34Å; L7-L10 WeakPolarHBondContact O-CB 3.32Å; L7-L10 PolarHBondContact O-N 3.29Å; L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 2.84Å; L10-Y13 HydrophobicContact CD1-CD1 4.11Å; L10-Y13 WeakPolarHBondContact O-CB 3.2Å; L10-Y13 PolarHBondContact O-N 3.33Å; L10-Y13 VanDerWaalsContact O-N 3.16Å; L10-L14 HydrophobicContact CD1-CD1 3.92Å; L10-L14 HydrophobicContact CD1-CG 3.99Å; L10-L14 HydrophobicContact CD2-CD1 4.46Å; L10-L14 HydrophobicContact CG-CD1 3.8Å; L10-L14 HydrophobicContact CG-CG 4.28Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 2.8Å; L10-A48 HydrophobicContact CD2-CB 3.5Å; L10-L51 HydrophobicContact CD2-CD1 4.3Å; L10-L113 HydrophobicContact CD1-CD1 3.85Å; L10-L113 HydrophobicContact CD2-CD1 3.83Å; L10-V116 HydrophobicContact CD1-CG1 4.04Å; L10-L117 HydrophobicContact CD2-CD2 4.48Å; L10-Y120 HydrophobicContact CB-CE2 4.5Å
11E95.6Very high92.1Very high14 Ų1469.2 Ų69.27%0.06535%0.345CS..Hα-helixtrans-57-44.8176.7-75.4-178.2111.200112.9L7 S9 Y13 L14 G15 L16 N20 Y22 L51L7-E11 WeakPolarHBondContact O-CG 3.5Å; L7-E11 PolarHBondContact O-N 3.24Å; S9-E11 PolarHBondContact O-N 3.49Å; E11-Y13 VanDerWaalsContact C-N 3.34Å; E11-L14 CarbonylContact O-C 3.58Å; E11-L14 PolarHBondContact O-N 3.22Å; E11-G15 PolarHBondContact O-N 2.85Å; E11-G15 VanDerWaalsContact O-N 3.08Å; E11-L16 HydrophobicContact CB-CB 4.49Å; E11-L16 HydrophobicContact CB-CD1 4.47Å; E11-L16 HydrophobicContact CG-CD1 4.17Å; E11-L16 PolarHBondContact O-N 3.41Å; E11-L16 VanDerWaalsContact O-N 3.09Å; E11-N20 WeakPolarHBondContact OE1-CB 3.35Å; E11-N20 VanDerWaalsContact OE1-CG 3.3Å; E11-N20 PolarHBondContact OE1-N 2.87Å; E11-N20 PolarHBondContact OE1-ND2 3.43Å; E11-Y22 WeakPolarHBondContact CG-OH 3.45Å; E11-Y22 PolarHBondContact OE1-OH 3.27Å; E11-Y22 WeakPolarHBondContact OE2-CE2 3.3Å; E11-Y22 PolarHBondContact OE2-OH 3.46Å; E11-L51 HydrophobicContact CG-CD1 3.76Å; E11-L51 HydrophobicContact CG-CD2 4.08Å
12K95.1Very high92.9Very high141 Ų14167.2 Ų67.261%0.61333%0.332SS*.Hα-helixtrans-64.8-41.3177.7-69.7176.7180-177.70111.1A8 S9 L10 L14 G15 H155A8-K12 WeakPolarHBondContact O-CG 2.83Å; A8-K12 PolarHBondContact O-N 3.26Å; S9-K12 PolarHBondContact O-N 2.88Å; L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 2.84Å; K12-L14 VanDerWaalsContact C-N 3.27Å; K12-L14 PolarHBondContact O-N 3.11Å; K12-G15 PolarHBondContact O-N 3.27Å; K12-G15 VanDerWaalsContact O-N 3.13Å; K12-H155 WeakPolarHBondContact CB-CE1 3.29Å
13Y96.9Very high93.3Very high23 Ų2363.8 Ų63.89%0.0932%0.319CS..Hα-helixtrans-61.3-38.2174.6169.9-118.4000111.7S9 L10 E11 G15 R57 L60 L111 V116 G152 V153 H155S9-Y13 PolarHBondContact O-N 3.38Å; L10-Y13 HydrophobicContact CD1-CD1 4.11Å; L10-Y13 WeakPolarHBondContact O-CB 3.2Å; L10-Y13 PolarHBondContact O-N 3.33Å; L10-Y13 VanDerWaalsContact O-N 3.16Å; E11-Y13 VanDerWaalsContact C-N 3.34Å; Y13-G15 PolarHBondContact O-N 3.28Å; Y13-R57 PolarHBondContact O-NH1 3.24Å; Y13-R57 PolarHBondContact OH-NH2 3.49Å; Y13-L60 HydrophobicContact CE1-CD1 4.08Å; Y13-L111 WeakPolarHBondContact OH-CD2 3.41Å; Y13-V116 HydrophobicContact CD1-CG2 4.4Å; Y13-V116 HydrophobicContact CE1-CG2 4.01Å; Y13-G152 VanDerWaalsContact CB-O 3.26Å; Y13-G152 WeakPolarHBondContact CB-O 3.44Å; Y13-G152 VanDerWaalsContact CD2-O 3.29Å; Y13-G152 WeakPolarHBondContact CD2-O 3.19Å; Y13-V153 HydrophobicContact CD2-CG2 3.8Å; Y13-V153 HydrophobicContact CE1-CG2 4.48Å; Y13-V153 HydrophobicContact CE2-CG2 3.61Å; Y13-V153 HydrophobicContact CG-CG2 4.34Å; Y13-H155 WeakPolarHBondContact CA-NE2 3.19Å; Y13-H155 PolarHBondContact N-NE2 3.27Å
14L97.4Very high93.5Very high13 Ų1366 Ų667%0.06833%0.331CS..THydrogen-bonded Turntrans-76.7-7.1177.8-68174.7000113.5L10 E11 K12 L16 L51 V52 A55 L60L10-L14 HydrophobicContact CD1-CD1 3.92Å; L10-L14 HydrophobicContact CD1-CG 3.99Å; L10-L14 HydrophobicContact CD2-CD1 4.46Å; L10-L14 HydrophobicContact CG-CD1 3.8Å; L10-L14 HydrophobicContact CG-CG 4.28Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 2.8Å; E11-L14 CarbonylContact O-C 3.58Å; E11-L14 PolarHBondContact O-N 3.22Å; K12-L14 VanDerWaalsContact C-N 3.27Å; K12-L14 PolarHBondContact O-N 3.11Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 HydrophobicContact CB-CD1 4.45Å; L14-L16 HydrophobicContact CB-CG 4.15Å; L14-L16 PolarHBondContact O-N 2.82Å; L14-L51 HydrophobicContact CD1-CB 3.71Å; L14-V52 HydrophobicContact CD1-CG2 4.06Å; L14-V52 HydrophobicContact CD2-CG2 4.16Å; L14-A55 HydrophobicContact CB-CB 3.79Å; L14-A55 HydrophobicContact CD1-CB 4.34Å; L14-A55 HydrophobicContact CD2-CB 4.13Å; L14-A55 HydrophobicContact CG-CB 4.31Å; L14-L60 HydrophobicContact CD2-CD1 3.58Å
15G95.6Very high93.5Very high53 Ų5368.8 Ų68.855%0.54634%0.343SS..THydrogen-bonded Turntrans70.123.3179.800000113.8E11 K12 Y13 K17E11-G15 PolarHBondContact O-N 2.85Å; E11-G15 VanDerWaalsContact O-N 3.08Å; K12-G15 PolarHBondContact O-N 3.27Å; K12-G15 VanDerWaalsContact O-N 3.13Å; Y13-G15 PolarHBondContact O-N 3.28Å; G15-K17 PolarHBondContact O-N 3.37Å
16L93.9Very high93.3Very high33 Ų3363.3 Ų63.317%0.17334%0.342CS..  trans-69123.4178.1-67.1176.2000110E11 L14 L51 E54 A55E11-L16 HydrophobicContact CB-CB 4.49Å; E11-L16 HydrophobicContact CB-CD1 4.47Å; E11-L16 HydrophobicContact CG-CD1 4.17Å; E11-L16 PolarHBondContact O-N 3.41Å; E11-L16 VanDerWaalsContact O-N 3.09Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 HydrophobicContact CB-CD1 4.45Å; L14-L16 HydrophobicContact CB-CG 4.15Å; L14-L16 PolarHBondContact O-N 2.82Å; L16-L51 HydrophobicContact CD1-CB 4.1Å; L16-L51 HydrophobicContact CD1-CD2 3.75Å; L16-L51 HydrophobicContact CD1-CG 4.46Å; L16-E54 HydrophobicContact CD2-CB 4.42Å; L16-E54 HydrophobicContact CD2-CG 4.08Å; L16-A55 HydrophobicContact CD2-CB 3.91Å; L16-A55 HydrophobicContact CG-CB 4.33Å
17K84.9Confident93Very high205 Ų20571 Ų7189%0.89138%0.383SS*.SBendtrans-81-27.5-171.5-64.3-175.3179.9-178.50113.7G15G15-K17 PolarHBondContact O-N 3.37Å
18K83.9Confident92.6Very high172 Ų17280.2 Ų80.275%0.74842%0.423SS*.SBendtrans-101.1120.6179.8-69-175.5-179.1179.90108.1N20K18-N20 PolarHBondContact O-N 2.91Å
19P81.4Confident92.5Very high118 Ų11884.6 Ų84.677%0.76644%0.436SS*.PPolyproline II helixtrans-68.1126.9177.227.5-32.2000109.3
20N90.1Very high92.5Very high42 Ų4286.9 Ų86.923%0.22545%0.449CS..PPolyproline II helixtrans-72.4150.2172.4-77.8-66.1000111.6E11 K18 Y22 L33 L51E11-N20 WeakPolarHBondContact OE1-CB 3.35Å; E11-N20 VanDerWaalsContact OE1-CG 3.3Å; E11-N20 PolarHBondContact OE1-N 2.87Å; E11-N20 PolarHBondContact OE1-ND2 3.43Å; K18-N20 PolarHBondContact O-N 2.91Å; N20-Y22 HydrophobicContact CB-CE1 4.06Å; N20-Y22 HydrophobicContact CB-CE2 4.18Å; N20-L33 HydrophobicContact CB-CD1 3.51Å; N20-L51 VanDerWaalsContact ND2-CD2 3.29Å; N20-L51 WeakPolarHBondContact ND2-CD2 3.46Å
21K90.4Very high92.5Very high168 Ų16887.2 Ų87.273%0.7345%0.452SS*.  trans-94.9109.3174.8-172.6177.4179.8-177.70109.6Q34K21-Q34 PolarHBondContact O-N 3.34Å
22Y94.8Very high92.5Very high39 Ų3986.7 Ų86.715%0.15345%0.449CS..EExtended strand (participates in β ladder)trans-96.8147.7175.5-51.6-72.6000113L4 L7 E11 N20 V32 L33 I47L4-Y22 HydrophobicContact CD2-CG 4.15Å; L7-Y22 HydrophobicContact CB-CE1 4.14Å; L7-Y22 HydrophobicContact CB-CE2 4.22Å; L7-Y22 HydrophobicContact CD1-CD1 4.13Å; L7-Y22 HydrophobicContact CD1-CE1 4.03Å; E11-Y22 WeakPolarHBondContact CG-OH 3.45Å; E11-Y22 PolarHBondContact OE1-OH 3.27Å; E11-Y22 WeakPolarHBondContact OE2-CE2 3.3Å; E11-Y22 PolarHBondContact OE2-OH 3.46Å; N20-Y22 HydrophobicContact CB-CE1 4.06Å; N20-Y22 HydrophobicContact CB-CE2 4.18Å; Y22-V32 CarbonylContact C-O 3.53Å; Y22-V32 WeakPolarHBondContact CA-O 3.38Å; Y22-L33 HydrophobicContact CD1-CB 4.25Å; Y22-L33 HydrophobicContact CD1-CD1 4.16Å; Y22-L33 HydrophobicContact CE1-CB 4.32Å; Y22-L33 HydrophobicContact CE1-CD1 4Å; Y22-I47 HydrophobicContact CE1-CG2 3.91Å
23S95.6Very high92.6Very high41 Ų4180.2 Ų80.229%0.28742%0.421SS..EExtended strand (participates in β ladder)trans-131.6-177.2166.656.20000109.8V32 Q34S23-V32 PolarHBondContact N-O 3.04Å; S23-V32 PolarHBondContact O-N 2.99Å; S23-Q34 PolarHBondContact OG-NE2 3.02Å
24T96.4Very high92.3Very high60 Ų6083.3 Ų83.337%0.36844%0.437SS..EExtended strand (participates in β ladder)trans-132.9150.7174.155.90000110.3N1 L4 K29 V30N1-T24 HydrophobicContact CB-CG2 4.29Å; N1-T24 WeakPolarHBondContact ND2-CG2 3.31Å; L4-T24 HydrophobicContact CD1-CG2 3.91Å; L4-T24 HydrophobicContact CD2-CG2 4.24Å; L4-T24 HydrophobicContact CG-CG2 4.07Å; T24-K29 HydrophobicContact CG2-CB 4.23Å; T24-K29 WeakPolarHBondContact CG2-O 3.41Å; T24-V30 CarbonylContact C-O 3.51Å; T24-V30 WeakPolarHBondContact CA-O 3.47Å
25Q94.9Very high91.6Very high99 Ų9985.9 Ų85.946%0.46345%0.451SS..EExtended strand (participates in β ladder)trans-130.2151175.870.3-179.722.900112.8V30 V32Q25-V30 HydrophobicContact CG-CB 4.43Å; Q25-V30 PolarHBondContact N-O 3.26Å; Q25-V30 PolarHBondContact O-N 3.49Å; Q25-V32 HydrophobicContact CB-CG2 3.98Å; Q25-V32 HydrophobicContact CG-CG2 3.6Å
26G91.9Very high90.8Very high62 Ų6291.1 Ų91.164%0.63947%0.466SS*.THydrogen-bonded Turntrans68.2174.9-18000000114.7K28 K29G26-K28 VanDerWaalsContact C-N 3.29Å; G26-K28 PolarHBondContact O-N 3.44Å; G26-K29 WeakPolarHBondContact O-CA 3.21Å; G26-K29 PolarHBondContact O-N 3.35Å
27D89.3Confident90.3Very high170 Ų17097 Ų9791%0.90950%0.498SS*.THydrogen-bonded Turntrans-65.1-33.4-176.1-59.8-32.7000112.8K29D27-K29 PolarHBondContact O-N 3.44Å
28K87.7Confident90.3Very high193 Ų19389.5 Ų89.584%0.83947%0.473SS*.THydrogen-bonded Turntrans-72.2-1.2174.2-63.7-171.3178.5-174.90113.3G26 V30G26-K28 VanDerWaalsContact C-N 3.29Å; G26-K28 PolarHBondContact O-N 3.44Å; K28-V30 VanDerWaalsContact C-N 3.28Å; K28-V30 HydrophobicContact CB-CG2 4.11Å; K28-V30 PolarHBondContact O-N 2.76Å
29K93.4Very high90.7Very high128 Ų12886.2 Ų86.256%0.55747%0.47SS*.THydrogen-bonded Turntrans48.748.4-178.9-56.5178.5177.1171.40112N1 T24 G26 D27N1-K29 WeakPolarHBondContact ND2-CB 3.44Å; N1-K29 PolarHBondContact ND2-O 2.9Å; T24-K29 HydrophobicContact CG2-CB 4.23Å; T24-K29 WeakPolarHBondContact CG2-O 3.41Å; G26-K29 WeakPolarHBondContact O-CA 3.21Å; G26-K29 PolarHBondContact O-N 3.35Å; D27-K29 PolarHBondContact O-N 3.44Å
30V95.3Very high91.3Very high50 Ų5083.8 Ų83.830%0.30345%0.454SS..EExtended strand (participates in β ladder)trans-62.2131-179.4-178.70000109T24 Q25 K28 V42T24-V30 CarbonylContact C-O 3.51Å; T24-V30 WeakPolarHBondContact CA-O 3.47Å; Q25-V30 HydrophobicContact CG-CB 4.43Å; Q25-V30 PolarHBondContact N-O 3.26Å; Q25-V30 PolarHBondContact O-N 3.49Å; K28-V30 VanDerWaalsContact C-N 3.28Å; K28-V30 HydrophobicContact CB-CG2 4.11Å; K28-V30 PolarHBondContact O-N 2.76Å; V30-V42 HydrophobicContact CG1-CG1 3.78Å
31P97.1Very high91.6Very high8 Ų884 Ų845%0.05246%0.455CS..EExtended strand (participates in β ladder)trans-67.1144.2-176.929.9-37.6000111.3A3 L4 L7 G43 L44 I47A3-P31 HydrophobicContact CB-CB 4.47Å; A3-P31 HydrophobicContact CB-CG 4.15Å; L4-P31 HydrophobicContact CD2-CB 3.73Å; L7-P31 HydrophobicContact CD1-CB 3.82Å; L7-P31 HydrophobicContact CD1-CG 4.28Å; P31-G43 PolarHBondContact O-N 3.03Å; P31-L44 HydrophobicContact CG-CB 4.12Å; P31-I47 HydrophobicContact CB-CD1 4.07Å; P31-I47 HydrophobicContact CG-CD1 4.34Å; P31-I47 WeakPolarHBondContact O-CD1 3.45Å
32V97.5Very high91.9Very high3 Ų378.3 Ų78.32%0.01843%0.434CS..EExtended strand (participates in β ladder)trans-131.7127.5178.7-177.20000108.7Y22 S23 Q25 P40 L41 V42Y22-V32 CarbonylContact C-O 3.53Å; Y22-V32 WeakPolarHBondContact CA-O 3.38Å; S23-V32 PolarHBondContact N-O 3.04Å; S23-V32 PolarHBondContact O-N 2.99Å; Q25-V32 HydrophobicContact CB-CG2 3.98Å; Q25-V32 HydrophobicContact CG-CG2 3.6Å; V32-P40 HydrophobicContact CG1-CB 3.81Å; V32-L41 CarbonylContact C-O 3.55Å; V32-L41 VanDerWaalsContact CA-O 3.29Å; V32-L41 WeakPolarHBondContact CA-O 3.17Å; V32-V42 HydrophobicContact CG1-CG2 4.38Å; V32-V42 HydrophobicContact CG2-CG1 4.48Å; V32-V42 HydrophobicContact CG2-CG2 4.25Å
33L96.4Very high92Very high4 Ų477.2 Ų77.22%0.02143%0.434CS..EExtended strand (participates in β ladder)trans-97.9116.5169.9171.556.7000108.8N20 Y22 P40 L41 I47 L51N20-L33 HydrophobicContact CB-CD1 3.51Å; Y22-L33 HydrophobicContact CD1-CB 4.25Å; Y22-L33 HydrophobicContact CD1-CD1 4.16Å; Y22-L33 HydrophobicContact CE1-CB 4.32Å; Y22-L33 HydrophobicContact CE1-CD1 4Å; L33-P40 WeakPolarHBondContact O-CA 3.36Å; L33-L41 HydrophobicContact CB-CB 4.28Å; L33-L41 HydrophobicContact CD2-CD1 4.33Å; L33-L41 PolarHBondContact N-O 3.34Å; L33-L41 PolarHBondContact O-N 3.13Å; L33-I47 HydrophobicContact CB-CD1 3.93Å; L33-I47 HydrophobicContact CB-CG1 3.89Å; L33-I47 HydrophobicContact CB-CG2 3.95Å; L33-I47 HydrophobicContact CD2-CG2 3.97Å; L33-L51 HydrophobicContact CD2-CD2 4.47Å
34Q91.1Very high92.1Very high89 Ų8975.7 Ų75.742%0.41642%0.423SS..  trans-77.3133.4177.2-60.9-62.9-22.800110.2K21 S23K21-Q34 PolarHBondContact O-N 3.34Å; S23-Q34 PolarHBondContact OG-NE2 3.02Å
35N82.8Confident92.1Very high67 Ų6774 Ų7436%0.35841%0.413SS..  trans-125.4131.5172.8-171.5-22.6000108.7N37 A38N35-N37 VanDerWaalsContact C-N 3.29Å; N35-N37 PolarHBondContact OD1-N 2.8Å; N35-A38 HydrophobicContact CB-CB 4.33Å; N35-A38 VanDerWaalsContact O-O 3.05Å; N35-A38 PolarHBondContact OD1-N 3.06Å
36N78.1Confident92.3Very high163 Ų16372.8 Ų72.887%0.87241%0.412SS*.SBendtrans-73.4-24.4-180-66.9-15.7000112.5
37N82.4Confident92.6Very high157 Ų15769.8 Ų69.884%0.8438%0.382SS*.SBendtrans-114-1.3-170.4-62.9-12.5000113.2N35N35-N37 VanDerWaalsContact C-N 3.29Å; N35-N37 PolarHBondContact OD1-N 2.8Å
38A85.7Confident93Very high46 Ų4661.7 Ų61.738%0.3834%0.338SS..SBendtrans-149163.5-178.500000110.5N35N35-A38 HydrophobicContact CB-CB 4.33Å; N35-A38 VanDerWaalsContact O-O 3.05Å; N35-A38 PolarHBondContact OD1-N 3.06Å
39P92Very high93.5Very high104 Ų10453.2 Ų53.268%0.67530%0.303SS*.PPolyproline II helixtrans-53.5145.4172.7-25.735.2000112
40P94.4Very high93.6Very high66 Ų6650.2 Ų50.243%0.42929%0.291SS..PPolyproline II helixtrans-62.6140.1178.226.6-34000110.6V32 L33V32-P40 HydrophobicContact CG1-CB 3.81Å; L33-P40 WeakPolarHBondContact O-CA 3.36Å
41L96.6Very high93.7Very high46 Ų4647.9 Ų47.924%0.24128%0.276CS..EExtended strand (participates in β ladder)trans-87.6135175.2-59.9178.1000109.4V32 L33 T46 I47 H50V32-L41 CarbonylContact C-O 3.55Å; V32-L41 VanDerWaalsContact CA-O 3.29Å; V32-L41 WeakPolarHBondContact CA-O 3.17Å; L33-L41 HydrophobicContact CB-CB 4.28Å; L33-L41 HydrophobicContact CD2-CD1 4.33Å; L33-L41 PolarHBondContact N-O 3.34Å; L33-L41 PolarHBondContact O-N 3.13Å; L41-T46 HydrophobicContact CB-CG2 4.49Å; L41-T46 HydrophobicContact CD2-CG2 4.49Å; L41-I47 HydrophobicContact CB-CG1 3.99Å; L41-H50 HydrophobicContact CD1-CB 3.54Å
42V96.8Very high93.8Very high50 Ų5047.5 Ų47.530%0.30327%0.274SS..EExtended strand (participates in β ladder)trans-122.5135.3-174.1-178.50000110V30 V32 T46V30-V42 HydrophobicContact CG1-CG1 3.78Å; V32-V42 HydrophobicContact CG1-CG2 4.38Å; V32-V42 HydrophobicContact CG2-CG1 4.48Å; V32-V42 HydrophobicContact CG2-CG2 4.25Å; V42-T46 VanDerWaalsContact O-CB 3.23Å; V42-T46 WeakPolarHBondContact O-CB 3.18Å; V42-T46 PolarHBondContact O-OG1 2.95Å; V42-T46 VanDerWaalsContact O-OG1 3.06Å
43G96.6Very high93.7Very high15 Ų1554.1 Ų54.116%0.15530%0.302CS..SBendtrans99.4144.6174.300000113.4P31 V45 T46 I47P31-G43 PolarHBondContact O-N 3.03Å; G43-V45 PolarHBondContact O-N 3.06Å; G43-T46 PolarHBondContact O-N 3.09Å; G43-I47 WeakPolarHBondContact O-CB 3.3Å; G43-I47 WeakPolarHBondContact O-CD1 3.41Å; G43-I47 VanDerWaalsContact O-CG1 3.24Å; G43-I47 WeakPolarHBondContact O-CG1 3.12Å; G43-I47 PolarHBondContact O-N 3.41Å
44L97.4Very high93.6Very high10 Ų1058 Ų585%0.05232%0.321CS..Hα-helixtrans-56.3-52.8-174.4175.360.8000111.4A3 L7 P31 I47 A48A3-L44 HydrophobicContact CB-CD1 4.35Å; L7-L44 HydrophobicContact CD1-CD1 4.34Å; L7-L44 HydrophobicContact CD2-CD1 3.83Å; L7-L44 HydrophobicContact CG-CD1 3.79Å; P31-L44 HydrophobicContact CG-CB 4.12Å; L44-I47 PolarHBondContact O-N 3.48Å; L44-A48 WeakPolarHBondContact O-CB 3.26Å; L44-A48 PolarHBondContact O-N 3.33Å
45V97.8Very high93.9Very high24 Ų2454.9 Ų54.915%0.14531%0.31CS..Hα-helixtrans-64.4-45-177.3172.40000111.6G43 I47 A48 C49 L75 V79G43-V45 PolarHBondContact O-N 3.06Å; V45-I47 PolarHBondContact O-N 2.96Å; V45-A48 PolarHBondContact O-N 2.88Å; V45-C49 WeakPolarHBondContact O-CB 3.48Å; V45-C49 PolarHBondContact O-N 2.84Å; V45-C49 PolarHBondContact O-SG 3.36Å; V45-L75 HydrophobicContact CG1-CB 3.86Å; V45-L75 HydrophobicContact CG1-CD1 4.02Å; V45-L75 HydrophobicContact CG1-CG 4.44Å; V45-L75 HydrophobicContact CG2-CB 3.92Å; V45-L75 WeakPolarHBondContact CG2-O 3.5Å; V45-V79 HydrophobicContact CG2-CG1 3.6Å; V45-V79 HydrophobicContact CG2-CG2 4.47Å
46T97.6Very high94.6Very high73 Ų7360.2 Ų60.245%0.44833%0.33SS..Hα-helixtrans-57.6-50.6178.3-510000111.3L41 V42 G43 C49 H50L41-T46 HydrophobicContact CB-CG2 4.49Å; L41-T46 HydrophobicContact CD2-CG2 4.49Å; V42-T46 VanDerWaalsContact O-CB 3.23Å; V42-T46 WeakPolarHBondContact O-CB 3.18Å; V42-T46 PolarHBondContact O-OG1 2.95Å; V42-T46 VanDerWaalsContact O-OG1 3.06Å; G43-T46 PolarHBondContact O-N 3.09Å; T46-C49 PolarHBondContact O-N 3.32Å; T46-H50 PolarHBondContact O-N 2.98Å
47I97.9Very high95.5Very high0 Ų055.3 Ų55.30%030%0.299CS..Hα-helixtrans-65.9-46.6-179.3-63.2166.5000109.7L7 Y22 P31 L33 L41 G43 L44 V45 C49 H50 L51L7-I47 HydrophobicContact CD1-CB 4.29Å; L7-I47 HydrophobicContact CD1-CD1 4.11Å; L7-I47 HydrophobicContact CD1-CG2 3.96Å; L7-I47 HydrophobicContact CD2-CB 4.09Å; L7-I47 HydrophobicContact CD2-CG2 3.75Å; L7-I47 HydrophobicContact CG-CG2 4.46Å; Y22-I47 HydrophobicContact CE1-CG2 3.91Å; P31-I47 HydrophobicContact CB-CD1 4.07Å; P31-I47 HydrophobicContact CG-CD1 4.34Å; P31-I47 WeakPolarHBondContact O-CD1 3.45Å; L33-I47 HydrophobicContact CB-CD1 3.93Å; L33-I47 HydrophobicContact CB-CG1 3.89Å; L33-I47 HydrophobicContact CB-CG2 3.95Å; L33-I47 HydrophobicContact CD2-CG2 3.97Å; L41-I47 HydrophobicContact CB-CG1 3.99Å; G43-I47 WeakPolarHBondContact O-CB 3.3Å; G43-I47 WeakPolarHBondContact O-CD1 3.41Å; G43-I47 VanDerWaalsContact O-CG1 3.24Å; G43-I47 WeakPolarHBondContact O-CG1 3.12Å; G43-I47 PolarHBondContact O-N 3.41Å; L44-I47 PolarHBondContact O-N 3.48Å; V45-I47 PolarHBondContact O-N 2.96Å; I47-C49 VanDerWaalsContact C-N 3.34Å; I47-C49 PolarHBondContact O-N 2.92Å; I47-H50 WeakPolarHBondContact O-CA 3.29Å; I47-H50 WeakPolarHBondContact O-CB 3.3Å; I47-H50 PolarHBondContact O-N 3.47Å; I47-L51 HydrophobicContact CG2-CD1 4.15Å; I47-L51 HydrophobicContact CG2-CG 4.28Å; I47-L51 WeakPolarHBondContact O-CG 3.46Å; I47-L51 PolarHBondContact O-N 2.96Å
48A98.3Very high96.2Very high0 Ų051.7 Ų51.70%028%0.284CS..Hα-helixtrans-59-43.4179.100000112.6L7 L10 L44 V45 H50 L51 V52 L113 L117L7-A48 HydrophobicContact CD2-CB 4.21Å; L10-A48 HydrophobicContact CD2-CB 3.5Å; L44-A48 WeakPolarHBondContact O-CB 3.26Å; L44-A48 PolarHBondContact O-N 3.33Å; V45-A48 PolarHBondContact O-N 2.88Å; A48-H50 VanDerWaalsContact C-N 3.31Å; A48-H50 PolarHBondContact O-N 3.24Å; A48-L51 PolarHBondContact O-N 3.48Å; A48-V52 WeakPolarHBondContact O-CG2 3.47Å; A48-V52 PolarHBondContact O-N 3.15Å; A48-L113 HydrophobicContact CB-CD1 4.28Å; A48-L113 HydrophobicContact CB-CD2 4.01Å; A48-L117 HydrophobicContact CB-CD1 3.75Å
49C98.2Very high96.7Very high14 Ų1453.5 Ų53.510%0.09529%0.285CS..Hα-helixtrans-63.6-37.1175-68.80000112.1V45 T46 I47 K53 L61V45-C49 WeakPolarHBondContact O-CB 3.48Å; V45-C49 PolarHBondContact O-N 2.84Å; V45-C49 PolarHBondContact O-SG 3.36Å; T46-C49 PolarHBondContact O-N 3.32Å; I47-C49 VanDerWaalsContact C-N 3.34Å; I47-C49 PolarHBondContact O-N 2.92Å; C49-K53 WeakPolarHBondContact O-CG 3.17Å; C49-K53 PolarHBondContact O-N 3.23Å; C49-L61 HydrophobicContact CB-CD2 4.37Å
50H96.6Very high97Very high66 Ų6648.7 Ų48.731%0.30625%0.253SS..Hα-helixtrans-63.8-47.3174.5177.681.2000111.8L41 T46 I47 A48 V52 K53 E54L41-H50 HydrophobicContact CD1-CB 3.54Å; T46-H50 PolarHBondContact O-N 2.98Å; I47-H50 WeakPolarHBondContact O-CA 3.29Å; I47-H50 WeakPolarHBondContact O-CB 3.3Å; I47-H50 PolarHBondContact O-N 3.47Å; A48-H50 VanDerWaalsContact C-N 3.31Å; A48-H50 PolarHBondContact O-N 3.24Å; H50-V52 VanDerWaalsContact C-N 3.31Å; H50-V52 PolarHBondContact O-N 2.93Å; H50-K53 WeakPolarHBondContact O-CB 3.44Å; H50-K53 PolarHBondContact O-N 3.09Å; H50-K53 VanDerWaalsContact O-N 3.09Å; H50-E54 PolarHBondContact O-N 3.18Å
51L97.1Very high97.1Very high0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-60.2-40.6178.6-64.1173.6000111.9L7 L10 E11 L14 L16 N20 L33 I47 A48 K53 E54 A55L7-L51 HydrophobicContact CD2-CD1 4.12Å; L10-L51 HydrophobicContact CD2-CD1 4.3Å; E11-L51 HydrophobicContact CG-CD1 3.76Å; E11-L51 HydrophobicContact CG-CD2 4.08Å; L14-L51 HydrophobicContact CD1-CB 3.71Å; L16-L51 HydrophobicContact CD1-CB 4.1Å; L16-L51 HydrophobicContact CD1-CD2 3.75Å; L16-L51 HydrophobicContact CD1-CG 4.46Å; N20-L51 VanDerWaalsContact ND2-CD2 3.29Å; N20-L51 WeakPolarHBondContact ND2-CD2 3.46Å; L33-L51 HydrophobicContact CD2-CD2 4.47Å; I47-L51 HydrophobicContact CG2-CD1 4.15Å; I47-L51 HydrophobicContact CG2-CG 4.28Å; I47-L51 WeakPolarHBondContact O-CG 3.46Å; I47-L51 PolarHBondContact O-N 2.96Å; A48-L51 PolarHBondContact O-N 3.48Å; L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 2.98Å; L51-E54 PolarHBondContact O-N 3.02Å; L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.43Å; L51-A55 PolarHBondContact O-N 3.23Å
52V98.2Very high97.2Very high0 Ų044.7 Ų44.70%023%0.231CC..Hα-helixtrans-60.6-41.4175.2170.40000111.6L14 A48 H50 K56 R57 L60 L61 L113L14-V52 HydrophobicContact CD1-CG2 4.06Å; L14-V52 HydrophobicContact CD2-CG2 4.16Å; A48-V52 WeakPolarHBondContact O-CG2 3.47Å; A48-V52 PolarHBondContact O-N 3.15Å; H50-V52 VanDerWaalsContact C-N 3.31Å; H50-V52 PolarHBondContact O-N 2.93Å; V52-K56 PolarHBondContact O-N 3.43Å; V52-R57 HydrophobicContact CG1-CB 4.44Å; V52-R57 WeakPolarHBondContact CG1-O 3.37Å; V52-R57 PolarHBondContact O-N 3.34Å; V52-L60 HydrophobicContact CG1-CB 3.85Å; V52-L60 HydrophobicContact CG1-CD1 4.38Å; V52-L60 HydrophobicContact CG2-CB 4.43Å; V52-L60 HydrophobicContact CG2-CD1 4.27Å; V52-L61 HydrophobicContact CB-CD2 4.1Å; V52-L61 HydrophobicContact CB-CG 4.41Å; V52-L61 HydrophobicContact CG1-CD1 4.21Å; V52-L61 HydrophobicContact CG1-CD2 3.83Å; V52-L61 HydrophobicContact CG1-CG 3.69Å; V52-L61 HydrophobicContact CG2-CD2 4.43Å; V52-L113 HydrophobicContact CG2-CD1 3.95Å; V52-L113 HydrophobicContact CG2-CD2 4.03Å; V52-L113 HydrophobicContact CG2-CG 4.4Å
53K96.4Very high97Very high142 Ų14248.4 Ų48.462%0.61725%0.249SC*.Hα-helixtrans-67.6-42.9175.7-70176-178.2-179.60111.8C49 H50 L51 A55 K56 L61C49-K53 WeakPolarHBondContact O-CG 3.17Å; C49-K53 PolarHBondContact O-N 3.23Å; H50-K53 WeakPolarHBondContact O-CB 3.44Å; H50-K53 PolarHBondContact O-N 3.09Å; H50-K53 VanDerWaalsContact O-N 3.09Å; L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 2.98Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 3.21Å; K53-K56 PolarHBondContact O-N 2.91Å; K53-L61 HydrophobicContact CG-CD1 4Å
54E94.8Very high96.8Very high87 Ų8749.2 Ų49.241%0.40726%0.257SS..Hα-helixtrans-59.7-42176.3-172.2-173162.700111.4L16 H50 L51 K56L16-E54 HydrophobicContact CD2-CB 4.42Å; L16-E54 HydrophobicContact CD2-CG 4.08Å; H50-E54 PolarHBondContact O-N 3.18Å; L51-E54 PolarHBondContact O-N 3.02Å; E54-K56 PolarHBondContact O-N 2.89Å; E54-K56 VanDerWaalsContact O-N 3.16Å
55A96.8Very high96.8Very high23 Ų2352.3 Ų52.319%0.1928%0.284CS..THydrogen-bonded Turntrans-70.2-4.9176.500000113.8L14 L16 L51 K53 R57L14-A55 HydrophobicContact CB-CB 3.79Å; L14-A55 HydrophobicContact CD1-CB 4.34Å; L14-A55 HydrophobicContact CD2-CB 4.13Å; L14-A55 HydrophobicContact CG-CB 4.31Å; L16-A55 HydrophobicContact CD2-CB 3.91Å; L16-A55 HydrophobicContact CG-CB 4.33Å; L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.43Å; L51-A55 PolarHBondContact O-N 3.23Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 3.21Å; A55-R57 VanDerWaalsContact C-N 3.29Å; A55-R57 HydrophobicContact CB-CG 4.34Å; A55-R57 PolarHBondContact O-N 3.45Å
56K97.3Very high96.7Very high179 Ų17959 Ų5978%0.77831%0.314SS*.THydrogen-bonded Turntrans56.841.3-175.7-54.3-179.4-179.4-178.70112.6V52 K53 E54 P58V52-K56 PolarHBondContact O-N 3.43Å; K53-K56 PolarHBondContact O-N 2.91Å; E54-K56 PolarHBondContact O-N 2.89Å; E54-K56 VanDerWaalsContact O-N 3.16Å; K56-P58 VanDerWaalsContact O-CD 3.25Å; K56-P58 WeakPolarHBondContact O-CD 3.48Å
57R97.3Very high96.6Very high60 Ų6056.2 Ų56.223%0.22630%0.3CS..  trans-116.453.1179-68.7-173.367.4-170.2-0.6112.8Y13 V52 A55 E59 L60Y13-R57 PolarHBondContact O-NH1 3.24Å; Y13-R57 PolarHBondContact OH-NH2 3.49Å; V52-R57 HydrophobicContact CG1-CB 4.44Å; V52-R57 WeakPolarHBondContact CG1-O 3.37Å; V52-R57 PolarHBondContact O-N 3.34Å; A55-R57 VanDerWaalsContact C-N 3.29Å; A55-R57 HydrophobicContact CB-CG 4.34Å; A55-R57 PolarHBondContact O-N 3.45Å; R57-E59 WeakPolarHBondContact CA-OE2 3.4Å; R57-E59 VanDerWaalsContact CB-OE1 3.25Å; R57-E59 WeakPolarHBondContact CB-OE1 3.25Å; R57-E59 WeakPolarHBondContact CG-OE1 3.33Å; R57-E59 IonicContact NE-OE1 2.95Å; R57-E59 PolarHBondContact NE-OE1 3.05Å; R57-E59 PolarHBondContact O-N 2.84Å; R57-E59 VanDerWaalsContact O-N 3.09Å; R57-L60 HydrophobicContact CB-CD1 4.02Å; R57-L60 HydrophobicContact CB-CG 4.31Å; R57-L60 WeakPolarHBondContact O-CB 3.44Å; R57-L60 PolarHBondContact O-N 3.17Å; R57-L60 VanDerWaalsContact O-N 3.09Å
58P96.4Very high96.6Very high81 Ų8162.3 Ų62.353%0.52632%0.323SS..G310 helixtrans-61-20.5-174.329.6-36.9000113.4K56 L60 L61K56-P58 VanDerWaalsContact O-CD 3.25Å; K56-P58 WeakPolarHBondContact O-CD 3.48Å; P58-L60 PolarHBondContact O-N 3.45Å; P58-L61 WeakPolarHBondContact O-CB 3.24Å; P58-L61 PolarHBondContact O-N 2.92Å
59E95.9Very high96.6Very high83 Ų8365.2 Ų65.239%0.38835%0.347SS..G310 helixtrans-57.7-26.3174.572.5-74.1172.400113.2R57 L61 G62 Q110R57-E59 WeakPolarHBondContact CA-OE2 3.4Å; R57-E59 VanDerWaalsContact CB-OE1 3.25Å; R57-E59 WeakPolarHBondContact CB-OE1 3.25Å; R57-E59 WeakPolarHBondContact CG-OE1 3.33Å; R57-E59 IonicContact NE-OE1 2.95Å; R57-E59 PolarHBondContact NE-OE1 3.05Å; R57-E59 PolarHBondContact O-N 2.84Å; R57-E59 VanDerWaalsContact O-N 3.09Å; E59-L61 PolarHBondContact O-N 3.42Å; E59-G62 PolarHBondContact O-N 3.29Å; E59-Q110 PolarHBondContact O-NE2 2.68Å; E59-Q110 VanDerWaalsContact O-NE2 3.17Å
60L98.2Very high96.6Very high3 Ų366.1 Ų66.12%0.01635%0.352CS..G310 helixtrans-74.1-15175.6-64.6178000113Y13 L14 V52 R57 P58 G62 L111 T112 L113Y13-L60 HydrophobicContact CE1-CD1 4.08Å; L14-L60 HydrophobicContact CD2-CD1 3.58Å; V52-L60 HydrophobicContact CG1-CB 3.85Å; V52-L60 HydrophobicContact CG1-CD1 4.38Å; V52-L60 HydrophobicContact CG2-CB 4.43Å; V52-L60 HydrophobicContact CG2-CD1 4.27Å; R57-L60 HydrophobicContact CB-CD1 4.02Å; R57-L60 HydrophobicContact CB-CG 4.31Å; R57-L60 WeakPolarHBondContact O-CB 3.44Å; R57-L60 PolarHBondContact O-N 3.17Å; R57-L60 VanDerWaalsContact O-N 3.09Å; P58-L60 PolarHBondContact O-N 3.45Å; L60-G62 VanDerWaalsContact C-N 3.31Å; L60-L111 WeakPolarHBondContact CD2-O 3.48Å; L60-T112 WeakPolarHBondContact O-CB 3.45Å; L60-L113 WeakPolarHBondContact O-CB 3.37Å; L60-L113 PolarHBondContact O-N 3.44Å
61L98.1Very high96.7Very high21 Ų2163 Ų6311%0.1134%0.337CS..G310 helixtrans-89.60.8176.6-57.6-178.9000112.7C49 V52 K53 P58 E59 R68 L113C49-L61 HydrophobicContact CB-CD2 4.37Å; V52-L61 HydrophobicContact CB-CD2 4.1Å; V52-L61 HydrophobicContact CB-CG 4.41Å; V52-L61 HydrophobicContact CG1-CD1 4.21Å; V52-L61 HydrophobicContact CG1-CD2 3.83Å; V52-L61 HydrophobicContact CG1-CG 3.69Å; V52-L61 HydrophobicContact CG2-CD2 4.43Å; K53-L61 HydrophobicContact CG-CD1 4Å; P58-L61 WeakPolarHBondContact O-CB 3.24Å; P58-L61 PolarHBondContact O-N 2.92Å; E59-L61 PolarHBondContact O-N 3.42Å; L61-R68 WeakPolarHBondContact O-CA 3.24Å; L61-R68 WeakPolarHBondContact O-CG 3.25Å; L61-L113 HydrophobicContact CD2-CD2 3.92Å
62G96.8Very high96.8Very high8 Ų867.2 Ų67.28%0.08236%0.357CS..  trans99.4144.8-179.400000112.9E59 L60 R68E59-G62 PolarHBondContact O-N 3.29Å; L60-G62 VanDerWaalsContact C-N 3.31Å; G62-R68 VanDerWaalsContact O-CG 3.31Å; G62-R68 WeakPolarHBondContact O-CG 3.45Å
63D92.7Very high96.8Very high128 Ų12872.6 Ų72.668%0.68438%0.382SS*.SBendtrans-91143.8175.7-16919.6000111.5G67D63-G67 VanDerWaalsContact O-CA 3.24Å; D63-G67 WeakPolarHBondContact O-CA 3.29Å; D63-G67 PolarHBondContact O-N 2.91Å; D63-G67 VanDerWaalsContact O-N 3.13Å
64G93.9Very high96.9Very high32 Ų3266.5 Ų66.533%0.3336%0.355SS..Hα-helixtrans61.2-176.1-175.600000114.2R68G64-R68 VanDerWaalsContact O-CG 3.25Å; G64-R68 WeakPolarHBondContact O-CG 3.1Å; G64-R68 PolarHBondContact O-N 3.22Å; G64-R68 PolarHBondContact O-NE 2.92Å; G64-R68 PolarHBondContact O-NH1 3.02Å; G64-R68 PolarHBondContact O-NH2 3.31Å
65A96.2Very high97Very high75 Ų7562.4 Ų62.462%0.6234%0.336SS*.Hα-helixtrans-70.8-40.6177.600000111.7A69A65-A69 PolarHBondContact O-N 2.98Å
66E96Very high97Very high163 Ų16367.2 Ų67.276%0.76236%0.355SS*.Hα-helixtrans-65.3-51.3-178.9-175.2-178.9172.100112.1R68 A69 V70E66-R68 VanDerWaalsContact C-N 3.28Å; E66-R68 PolarHBondContact O-N 2.84Å; E66-A69 WeakPolarHBondContact O-CB 3.26Å; E66-A69 PolarHBondContact O-N 2.97Å; E66-V70 WeakPolarHBondContact O-CG2 3.4Å; E66-V70 PolarHBondContact O-N 2.91Å
67G96.6Very high97Very high16 Ų1660.8 Ų60.817%0.16533%0.326CS..Hα-helixtrans-60.2-40179.100000112D63 A69 V70 V71D63-G67 VanDerWaalsContact O-CA 3.24Å; D63-G67 WeakPolarHBondContact O-CA 3.29Å; D63-G67 PolarHBondContact O-N 2.91Å; D63-G67 VanDerWaalsContact O-N 3.13Å; G67-A69 VanDerWaalsContact C-N 3.34Å; G67-A69 PolarHBondContact O-N 3.27Å; G67-V70 PolarHBondContact O-N 2.96Å; G67-V71 WeakPolarHBondContact O-CG2 3.25Å; G67-V71 PolarHBondContact O-N 3.13Å
68R97.7Very high96.9Very high128 Ų12858 Ų5848%0.48332%0.316SS..Hα-helixtrans-61.3-40.5173.4-73.3-170.1-66.7-93.74.9112.7L61 G62 G64 E66 Q72L61-R68 WeakPolarHBondContact O-CA 3.24Å; L61-R68 WeakPolarHBondContact O-CG 3.25Å; G62-R68 VanDerWaalsContact O-CG 3.31Å; G62-R68 WeakPolarHBondContact O-CG 3.45Å; G64-R68 VanDerWaalsContact O-CG 3.25Å; G64-R68 WeakPolarHBondContact O-CG 3.1Å; G64-R68 PolarHBondContact O-N 3.22Å; G64-R68 PolarHBondContact O-NE 2.92Å; G64-R68 PolarHBondContact O-NH1 3.02Å; G64-R68 PolarHBondContact O-NH2 3.31Å; E66-R68 VanDerWaalsContact C-N 3.28Å; E66-R68 PolarHBondContact O-N 2.84Å; R68-Q72 WeakPolarHBondContact O-CG 3.33Å; R68-Q72 PolarHBondContact O-N 3.42Å
69A98.2Very high96.7Very high60 Ų6056.7 Ų56.750%0.49631%0.306SS..Hα-helixtrans-64.6-44.9177.700000111.5A65 E66 G67 V71 Q72 Q73A65-A69 PolarHBondContact O-N 2.98Å; E66-A69 WeakPolarHBondContact O-CB 3.26Å; E66-A69 PolarHBondContact O-N 2.97Å; G67-A69 VanDerWaalsContact C-N 3.34Å; G67-A69 PolarHBondContact O-N 3.27Å; A69-V71 PolarHBondContact O-N 3.46Å; A69-Q72 PolarHBondContact O-N 3.19Å; A69-Q73 PolarHBondContact O-N 3.37Å
70V98Very high96.5Very high33 Ų3355.7 Ų55.720%0.231%0.305CS..Hα-helixtrans-64.8-40.8178.2-179.60000111.4E66 G67 Q73 W74 A107E66-V70 WeakPolarHBondContact O-CG2 3.4Å; E66-V70 PolarHBondContact O-N 2.91Å; G67-V70 PolarHBondContact O-N 2.96Å; V70-Q73 PolarHBondContact O-N 2.98Å; V70-W74 VanDerWaalsContact O-CD1 3.3Å; V70-W74 PolarHBondContact O-N 3.47Å; V70-W74 VanDerWaalsContact O-N 3.15Å; V70-A107 HydrophobicContact CB-CB 4.23Å; V70-A107 HydrophobicContact CG1-CB 3.81Å
71V98.6Very high96.2Very high0 Ų058.9 Ų58.90%032%0.319CS..Hα-helixtrans-59-49.2173.4170.50000110.5G67 A69 Q73 W74 L75 A107 T112 A114G67-V71 WeakPolarHBondContact O-CG2 3.25Å; G67-V71 PolarHBondContact O-N 3.13Å; A69-V71 PolarHBondContact O-N 3.46Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 3.35Å; V71-W74 PolarHBondContact O-N 3.43Å; V71-L75 HydrophobicContact CG1-CD1 3.79Å; V71-L75 HydrophobicContact CG1-CG 4.25Å; V71-L75 VanDerWaalsContact O-CG 3.25Å; V71-L75 WeakPolarHBondContact O-CG 3.49Å; V71-L75 PolarHBondContact O-N 3.02Å; V71-A107 HydrophobicContact CG2-CB 3.5Å; V71-T112 HydrophobicContact CG2-CG2 3.84Å; V71-A114 HydrophobicContact CG1-CB 4.44Å
72Q98.3Very high95.7Very high89 Ų8958.4 Ų58.442%0.41632%0.317SS..Hα-helixtrans-62.3-39.8179.4-71.2-59.9-28.300112.7R68 A69 W74 L75 E76R68-Q72 WeakPolarHBondContact O-CG 3.33Å; R68-Q72 PolarHBondContact O-N 3.42Å; A69-Q72 PolarHBondContact O-N 3.19Å; Q72-W74 VanDerWaalsContact C-N 3.33Å; Q72-W74 PolarHBondContact O-N 3.39Å; Q72-L75 PolarHBondContact O-N 3.16Å; Q72-E76 PolarHBondContact O-N 3.04Å
73Q97.9Very high95.2Very high113 Ų11360.9 Ų60.953%0.52833%0.328SS..Hα-helixtrans-55.7-46.9174.9179.7-172.1-44.100111.6A69 V70 V71 E76 Y77A69-Q73 PolarHBondContact O-N 3.37Å; V70-Q73 PolarHBondContact O-N 2.98Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 3.35Å; Q73-E76 PolarHBondContact O-N 3.32Å; Q73-Y77 WeakPolarHBondContact O-CB 3.44Å; Q73-Y77 PolarHBondContact O-N 3.2Å
74W98.2Very high94.6Very high14 Ų1457.2 Ų57.25%0.05331%0.312CS..Hα-helixtrans-70.5-32.8179.1-79.4111.2000113.3V70 V71 Q72 Y77 R78 L96 Y99 L106 A114 M118V70-W74 VanDerWaalsContact O-CD1 3.3Å; V70-W74 PolarHBondContact O-N 3.47Å; V70-W74 VanDerWaalsContact O-N 3.15Å; V71-W74 PolarHBondContact O-N 3.43Å; Q72-W74 VanDerWaalsContact C-N 3.33Å; Q72-W74 PolarHBondContact O-N 3.39Å; W74-Y77 HydrophobicContact CE3-CD1 4.13Å; W74-Y77 HydrophobicContact CE3-CG 4.24Å; W74-Y77 AromaticContact CZ3-CD1 3.93Å; W74-Y77 HydrophobicContact CZ3-CD1 3.93Å; W74-Y77 HydrophobicContact CZ3-CE1 4.26Å; W74-Y77 HydrophobicContact CZ3-CG 4.18Å; W74-Y77 PolarHBondContact O-N 2.67Å; W74-R78 WeakPolarHBondContact O-CB 3.46Å; W74-R78 PolarHBondContact O-N 3.31Å; W74-L96 HydrophobicContact CH2-CD1 3.59Å; W74-L96 HydrophobicContact CZ2-CD1 4.45Å; W74-L96 HydrophobicContact CZ3-CD1 3.73Å; W74-Y99 AromaticContact CE2-CE1 3.7Å; W74-Y99 AromaticContact CE2-CZ 3.87Å; W74-Y99 HydrophobicContact CH2-CD1 4.07Å; W74-Y99 HydrophobicContact CH2-CE1 4.43Å; W74-Y99 HydrophobicContact CH2-CG 4.2Å; W74-Y99 AromaticContact CZ2-CD1 3.33Å; W74-Y99 HydrophobicContact CZ2-CD1 3.33Å; W74-Y99 AromaticContact CZ2-CD2 3.94Å; W74-Y99 HydrophobicContact CZ2-CD2 3.94Å; W74-Y99 AromaticContact CZ2-CE1 3.32Å; W74-Y99 HydrophobicContact CZ2-CE1 3.32Å; W74-Y99 AromaticContact CZ2-CE2 3.93Å; W74-Y99 HydrophobicContact CZ2-CE2 3.93Å; W74-Y99 AromaticContact CZ2-CG 3.64Å; W74-Y99 HydrophobicContact CZ2-CG 3.64Å; W74-Y99 AromaticContact CZ2-CZ 3.62Å; W74-Y99 AromaticContact NE1-CE1 3.59Å; W74-Y99 AromaticContact NE1-CZ 3.52Å; W74-Y99 PolarHBondContact NE1-OH 3.49Å; W74-L106 HydrophobicContact CD2-CB 4.34Å; W74-L106 HydrophobicContact CD2-CD1 4.24Å; W74-L106 HydrophobicContact CD2-CD2 4Å; W74-L106 HydrophobicContact CD2-CG 4.44Å; W74-L106 HydrophobicContact CE3-CD1 4.41Å; W74-L106 HydrophobicContact CE3-CD2 4.24Å; W74-L106 HydrophobicContact CG-CB 4.11Å; W74-L106 HydrophobicContact CG-CD1 4.32Å; W74-L106 HydrophobicContact CH2-CD2 4.2Å; W74-L106 HydrophobicContact CZ2-CD2 3.96Å; W74-L106 HydrophobicContact CZ3-CD2 4.33Å; W74-L106 PolarHBondContact NE1-O 3.37Å; W74-A114 HydrophobicContact CB-CB 3.6Å; W74-A114 HydrophobicContact CG-CB 4.35Å; W74-M118 HydrophobicContact CE3-CE 4.24Å; W74-M118 HydrophobicContact CE3-CG 4.48Å; W74-M118 HydrophobicContact CE3-SD 4.47Å; W74-M118 HydrophobicContact CZ3-CE 4.21Å
75L98.3Very high93.7Very high1 Ų163.1 Ų63.11%0.00533%0.331CS..Hα-helixtrans-67.2-38.5173.5-66.9177.5000112V45 V71 Q72 R78 V79 L113 L117V45-L75 HydrophobicContact CG1-CB 3.86Å; V45-L75 HydrophobicContact CG1-CD1 4.02Å; V45-L75 HydrophobicContact CG1-CG 4.44Å; V45-L75 HydrophobicContact CG2-CB 3.92Å; V45-L75 WeakPolarHBondContact CG2-O 3.5Å; V71-L75 HydrophobicContact CG1-CD1 3.79Å; V71-L75 HydrophobicContact CG1-CG 4.25Å; V71-L75 VanDerWaalsContact O-CG 3.25Å; V71-L75 WeakPolarHBondContact O-CG 3.49Å; V71-L75 PolarHBondContact O-N 3.02Å; Q72-L75 PolarHBondContact O-N 3.16Å; L75-R78 WeakPolarHBondContact O-CB 3.04Å; L75-V79 PolarHBondContact O-N 3.3Å; L75-L113 HydrophobicContact CD1-CD2 4.07Å; L75-L113 HydrophobicContact CD2-CD2 4.41Å; L75-L113 HydrophobicContact CD2-CG 4.18Å; L75-L117 HydrophobicContact CD2-CB 4.34Å; L75-L117 HydrophobicContact CD2-CD1 3.68Å; L75-L117 HydrophobicContact CD2-CG 4.43Å
76E97.3Very high92.5Very high124 Ų12464.3 Ų64.358%0.57933%0.33SS*.Hα-helixtrans-65.4-46.9171.7-177.9176.7-172.200111Q72 Q73 R78 V79 T80Q72-E76 PolarHBondContact O-N 3.04Å; Q73-E76 PolarHBondContact O-N 3.32Å; E76-R78 VanDerWaalsContact C-N 3.25Å; E76-R78 PolarHBondContact O-N 2.94Å; E76-V79 WeakPolarHBondContact O-CG2 3.4Å; E76-V79 PolarHBondContact O-N 3.42Å; E76-V79 VanDerWaalsContact O-N 3.14Å; E76-T80 HydrophobicContact CG-CG2 3.92Å; E76-T80 WeakPolarHBondContact O-CB 3.32Å; E76-T80 WeakPolarHBondContact O-CG2 3.45Å; E76-T80 PolarHBondContact O-N 3.17Å; E76-T80 PolarHBondContact O-OG1 3.03Å
77Y95.9Very high91.6Very high44 Ų4459.2 Ų59.217%0.17331%0.307CS..Hα-helixtrans-55-43.2176.7-173.8-86.4000111.3Q73 W74 V79 T80 K81 L82 I92 M118Q73-Y77 WeakPolarHBondContact O-CB 3.44Å; Q73-Y77 PolarHBondContact O-N 3.2Å; W74-Y77 HydrophobicContact CE3-CD1 4.13Å; W74-Y77 HydrophobicContact CE3-CG 4.24Å; W74-Y77 AromaticContact CZ3-CD1 3.93Å; W74-Y77 HydrophobicContact CZ3-CD1 3.93Å; W74-Y77 HydrophobicContact CZ3-CE1 4.26Å; W74-Y77 HydrophobicContact CZ3-CG 4.18Å; W74-Y77 PolarHBondContact O-N 2.67Å; Y77-V79 PolarHBondContact O-N 2.93Å; Y77-T80 PolarHBondContact O-N 3.09Å; Y77-K81 HydrophobicContact CD1-CB 4.3Å; Y77-K81 HydrophobicContact CD2-CB 4.06Å; Y77-K81 HydrophobicContact CD2-CG 3.72Å; Y77-K81 HydrophobicContact CE1-CB 4.12Å; Y77-K81 HydrophobicContact CE2-CB 3.88Å; Y77-K81 HydrophobicContact CE2-CG 3.71Å; Y77-K81 HydrophobicContact CG-CB 4.26Å; Y77-K81 HydrophobicContact CG-CG 4.28Å; Y77-K81 WeakPolarHBondContact O-CB 3.49Å; Y77-K81 PolarHBondContact O-N 3.42Å; Y77-L82 PolarHBondContact O-N 2.91Å; Y77-I92 HydrophobicContact CE1-CG2 4.11Å; Y77-M118 HydrophobicContact CD1-CE 4.05Å; Y77-M118 HydrophobicContact CD1-SD 4.32Å; Y77-M118 HydrophobicContact CE1-CE 4.21Å
78R94.7Very high91.1Very high3 Ų363 Ų631%0.01132%0.323CS..Iπ-helixtrans-53.8-49.9176169.259.4-156.6-83.8-0.8112.4E6 W74 L75 E76 L82 D83 L117 M118 G121E6-R78 VanDerWaalsContact CD-NH2 3.32Å; E6-R78 IonicContact OE1-CZ 3.86Å; E6-R78 IonicContact OE1-NH1 3.61Å; E6-R78 IonicContact OE1-NH2 2.77Å; E6-R78 PolarHBondContact OE1-NH2 3.44Å; E6-R78 IonicContact OE2-CZ 3.22Å; E6-R78 IonicContact OE2-NH1 3.32Å; E6-R78 PolarHBondContact OE2-NH1 3.4Å; E6-R78 IonicContact OE2-NH2 2.81Å; E6-R78 PolarHBondContact OE2-NH2 2.72Å; W74-R78 WeakPolarHBondContact O-CB 3.46Å; W74-R78 PolarHBondContact O-N 3.31Å; L75-R78 WeakPolarHBondContact O-CB 3.04Å; E76-R78 VanDerWaalsContact C-N 3.25Å; E76-R78 PolarHBondContact O-N 2.94Å; R78-L82 WeakPolarHBondContact O-CB 3.42Å; R78-D83 IonicContact CZ-OD1 3.32Å; R78-D83 IonicContact CZ-OD2 2.68Å; R78-D83 IonicContact NE-OD1 3.6Å; R78-D83 PolarHBondContact NE-OD1 3.22Å; R78-D83 IonicContact NE-OD2 2.83Å; R78-D83 PolarHBondContact NE-OD2 2.96Å; R78-D83 IonicContact NH2-OD1 3.02Å; R78-D83 PolarHBondContact NH2-OD1 3.34Å; R78-D83 IonicContact NH2-OD2 3.52Å; R78-D83 PolarHBondContact O-N 3.09Å; R78-L117 PolarHBondContact NH1-O 3.49Å; R78-M118 HydrophobicContact CB-SD 3.83Å; R78-G121 VanDerWaalsContact CZ-CA 3.46Å
79V93.8Very high90.5Very high53 Ų5359.2 Ų59.232%0.32131%0.314SS..Iπ-helixtrans-85.4-24.1-173.7-61.60000113.7V45 L75 E76 Y77V45-V79 HydrophobicContact CG2-CG1 3.6Å; V45-V79 HydrophobicContact CG2-CG2 4.47Å; L75-V79 PolarHBondContact O-N 3.3Å; E76-V79 WeakPolarHBondContact O-CG2 3.4Å; E76-V79 PolarHBondContact O-N 3.42Å; E76-V79 VanDerWaalsContact O-N 3.14Å; Y77-V79 PolarHBondContact O-N 2.93Å
80T91.4Very high90.1Very high61 Ų6161.4 Ų61.437%0.37431%0.312SS..Iπ-helixtrans-99.3-29.6-17559.30000114.2E76 Y77 S84E76-T80 HydrophobicContact CG-CG2 3.92Å; E76-T80 WeakPolarHBondContact O-CB 3.32Å; E76-T80 WeakPolarHBondContact O-CG2 3.45Å; E76-T80 PolarHBondContact O-N 3.17Å; E76-T80 PolarHBondContact O-OG1 3.03Å; Y77-T80 PolarHBondContact O-N 3.09Å; T80-S84 WeakPolarHBondContact O-CB 3.3Å; T80-S84 PolarHBondContact O-OG 2.81Å
81K90.5Very high89.9Confident71 Ų7162.3 Ų62.331%0.30932%0.32SS..Iπ-helixtrans-108.8-49.2-178-61.1-59.9-166.7161.40112.1Y77 S84 E87Y77-K81 HydrophobicContact CD1-CB 4.3Å; Y77-K81 HydrophobicContact CD2-CB 4.06Å; Y77-K81 HydrophobicContact CD2-CG 3.72Å; Y77-K81 HydrophobicContact CE1-CB 4.12Å; Y77-K81 HydrophobicContact CE2-CB 3.88Å; Y77-K81 HydrophobicContact CE2-CG 3.71Å; Y77-K81 HydrophobicContact CG-CB 4.26Å; Y77-K81 HydrophobicContact CG-CG 4.28Å; Y77-K81 WeakPolarHBondContact O-CB 3.49Å; Y77-K81 PolarHBondContact O-N 3.42Å; K81-S84 PolarHBondContact O-OG 3.01Å; K81-E87 HydrophobicContact CD-CG 4.47Å; K81-E87 WeakPolarHBondContact CD-OE1 3.16Å; K81-E87 WeakPolarHBondContact CE-OE1 3.41Å; K81-E87 IonicContact NZ-OE1 3.46Å; K81-E87 PolarHBondContact NZ-OE1 2.89Å
82L88.8Confident89.5Confident11 Ų1162.5 Ų62.56%0.05832%0.321CS..Iπ-helixtrans-75.5-53.4-176.6-175.763.8000112.1Y77 R78 S84 I92 M118 I122Y77-L82 PolarHBondContact O-N 2.91Å; R78-L82 WeakPolarHBondContact O-CB 3.42Å; L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 3.37Å; L82-I92 HydrophobicContact CD1-CD1 4Å; L82-I92 HydrophobicContact CD1-CG2 4.4Å; L82-M118 HydrophobicContact CD2-SD 4.42Å; L82-I122 HydrophobicContact CD1-CG2 4.05Å; L82-I122 HydrophobicContact CD2-CG2 3.54Å; L82-I122 HydrophobicContact CG-CG2 4.48Å
83D86.6Confident89.4Confident60 Ų6058.4 Ų58.432%0.32130%0.302SS..THydrogen-bonded Turntrans-74.6-21.6-176.6-69.5-12.4000113.6R78 H85R78-D83 IonicContact CZ-OD1 3.32Å; R78-D83 IonicContact CZ-OD2 2.68Å; R78-D83 IonicContact NE-OD1 3.6Å; R78-D83 PolarHBondContact NE-OD1 3.22Å; R78-D83 IonicContact NE-OD2 2.83Å; R78-D83 PolarHBondContact NE-OD2 2.96Å; R78-D83 IonicContact NH2-OD1 3.02Å; R78-D83 PolarHBondContact NH2-OD1 3.34Å; R78-D83 IonicContact NH2-OD2 3.52Å; R78-D83 PolarHBondContact O-N 3.09Å; D83-H85 VanDerWaalsContact C-N 3.29Å
84S79.1Confident89.3Confident50 Ų5059.1 Ų59.135%0.3530%0.304SS..THydrogen-bonded Turntrans-79.4-14.6-178.6700000113T80 K81 L82 T86T80-S84 WeakPolarHBondContact O-CB 3.3Å; T80-S84 PolarHBondContact O-OG 2.81Å; K81-S84 PolarHBondContact O-OG 3.01Å; L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 3.37Å; S84-T86 PolarHBondContact O-N 3.5Å; S84-T86 WeakPolarHBondContact OG-CG2 3.23Å; S84-T86 PolarHBondContact OG-N 3.48Å; S84-T86 PolarHBondContact OG-OG1 3.39Å
85H75.1Confident89.1Confident156 Ų15662.8 Ų62.872%0.72232%0.324SS*.  trans50.125.2-172-56.8-67.4000113.7D83 E87D83-H85 VanDerWaalsContact C-N 3.29Å; H85-E87 VanDerWaalsContact C-N 3.26Å; H85-E87 PolarHBondContact O-N 3.36Å
86T71.6Confident89Confident100 Ų10062.8 Ų62.861%0.61332%0.324SS*.  trans-72.5-24.1179.2540000112.5S84S84-T86 PolarHBondContact O-N 3.5Å; S84-T86 WeakPolarHBondContact OG-CG2 3.23Å; S84-T86 PolarHBondContact OG-N 3.48Å; S84-T86 PolarHBondContact OG-OG1 3.39Å
87E77.1Confident89Confident57 Ų5758.1 Ų58.127%0.26630%0.303SS..SBendtrans-113148179.7-68.4-175.7-173.700110.6K81 H85 T89 I92K81-E87 HydrophobicContact CD-CG 4.47Å; K81-E87 WeakPolarHBondContact CD-OE1 3.16Å; K81-E87 WeakPolarHBondContact CE-OE1 3.41Å; K81-E87 IonicContact NZ-OE1 3.46Å; K81-E87 PolarHBondContact NZ-OE1 2.89Å; H85-E87 VanDerWaalsContact C-N 3.26Å; H85-E87 PolarHBondContact O-N 3.36Å; E87-T89 PolarHBondContact O-N 3.19Å; E87-I92 HydrophobicContact CB-CD1 4.33Å; E87-I92 HydrophobicContact CB-CG1 4.17Å
88D86.3Confident89.1Confident96 Ų9661.7 Ų61.751%0.51333%0.325SS..  trans-62.4137172.7178.245.7000110.2K90 S91 I92D88-K90 PolarHBondContact O-N 3.31Å; D88-K90 VanDerWaalsContact OD2-CB 3.24Å; D88-K90 WeakPolarHBondContact OD2-CB 3.31Å; D88-K90 PolarHBondContact OD2-N 3.48Å; D88-S91 WeakPolarHBondContact O-CB 3.49Å; D88-S91 PolarHBondContact O-N 3.16Å; D88-I92 PolarHBondContact O-N 3.44Å
89T85.8Confident89.2Confident47 Ų4764.6 Ų64.629%0.28834%0.336SS..Hα-helixtrans-61.1-31.7-176.5-62.10000111.6E87 S91 I92 L93 V125E87-T89 PolarHBondContact O-N 3.19Å; T89-S91 VanDerWaalsContact C-N 3.35Å; T89-I92 PolarHBondContact O-N 2.89Å; T89-L93 HydrophobicContact CG2-CD1 4.37Å; T89-L93 WeakPolarHBondContact O-CG 3.41Å; T89-L93 PolarHBondContact O-N 2.73Å; T89-V125 HydrophobicContact CG2-CB 4.08Å; T89-V125 HydrophobicContact CG2-CG1 3.21Å; T89-V125 HydrophobicContact CG2-CG2 3.68Å
90K89.6Confident89.3Confident106 Ų10662 Ų6246%0.46132%0.321SS..Hα-helixtrans-68.4-34.9175.9-56.5-179.8174.1-177.90111.8D88 L93 K94D88-K90 PolarHBondContact O-N 3.31Å; D88-K90 VanDerWaalsContact OD2-CB 3.24Å; D88-K90 WeakPolarHBondContact OD2-CB 3.31Å; D88-K90 PolarHBondContact OD2-N 3.48Å; K90-L93 PolarHBondContact O-N 2.99Å; K90-K94 WeakPolarHBondContact O-CB 3.25Å; K90-K94 VanDerWaalsContact O-CG 3.26Å; K90-K94 WeakPolarHBondContact O-CG 3.41Å; K90-K94 PolarHBondContact O-N 2.94Å
91S92Very high89.5Confident52 Ų5265.5 Ų65.536%0.36433%0.333SS..Hα-helixtrans-64.5-46.4174.6-61.40000111.1D88 T89 L93 K94 D95D88-S91 WeakPolarHBondContact O-CB 3.49Å; D88-S91 PolarHBondContact O-N 3.16Å; T89-S91 VanDerWaalsContact C-N 3.35Å; S91-L93 VanDerWaalsContact C-N 3.31Å; S91-L93 PolarHBondContact O-N 3.1Å; S91-K94 PolarHBondContact O-N 3.44Å; S91-K94 VanDerWaalsContact O-N 3.15Å; S91-D95 PolarHBondContact O-N 3.19Å
92I91.9Very high89.8Confident4 Ų468.2 Ų68.22%0.02135%0.35CS..Hα-helixtrans-55.8-46.7175-65.2175000110.9Y77 L82 E87 D88 T89 D95 L96Y77-I92 HydrophobicContact CE1-CG2 4.11Å; L82-I92 HydrophobicContact CD1-CD1 4Å; L82-I92 HydrophobicContact CD1-CG2 4.4Å; E87-I92 HydrophobicContact CB-CD1 4.33Å; E87-I92 HydrophobicContact CB-CG1 4.17Å; D88-I92 PolarHBondContact O-N 3.44Å; T89-I92 PolarHBondContact O-N 2.89Å; I92-D95 PolarHBondContact O-N 3.19Å; I92-L96 VanDerWaalsContact O-CB 3.25Å; I92-L96 WeakPolarHBondContact O-CB 3.36Å; I92-L96 PolarHBondContact O-N 3.18Å
93L94.8Very high90.2Very high3 Ų370 Ų702%0.01636%0.358CS..Hα-helixtrans-67.1-36.4179.4-69175.9000112.8T89 K90 S91 N97 V125 I126 L129 Y137 V140T89-L93 HydrophobicContact CG2-CD1 4.37Å; T89-L93 WeakPolarHBondContact O-CG 3.41Å; T89-L93 PolarHBondContact O-N 2.73Å; K90-L93 PolarHBondContact O-N 2.99Å; S91-L93 VanDerWaalsContact C-N 3.31Å; S91-L93 PolarHBondContact O-N 3.1Å; L93-N97 WeakPolarHBondContact O-CB 3.25Å; L93-N97 PolarHBondContact O-N 3.29Å; L93-V125 HydrophobicContact CD1-CG1 3.89Å; L93-V125 HydrophobicContact CD2-CG1 4.39Å; L93-V125 HydrophobicContact CG-CG1 4.39Å; L93-I126 HydrophobicContact CD2-CD1 3.8Å; L93-L129 HydrophobicContact CD1-CD1 3.86Å; L93-L129 HydrophobicContact CD1-CD2 4.48Å; L93-Y137 HydrophobicContact CB-CD1 3.83Å; L93-Y137 HydrophobicContact CB-CD2 4.27Å; L93-Y137 HydrophobicContact CB-CE1 3.72Å; L93-Y137 HydrophobicContact CB-CE2 4.18Å; L93-Y137 HydrophobicContact CB-CG 4.11Å; L93-Y137 HydrophobicContact CD1-CD2 4.08Å; L93-Y137 HydrophobicContact CD1-CE2 3.88Å; L93-V140 HydrophobicContact CD2-CG1 4.23Å
94K95.6Very high90.6Very high128 Ų12870.1 Ų70.156%0.55736%0.361SS*.Hα-helixtrans-63.1-49.3174.9-77.3176.1-178.6178.20111.4K90 S91 N97 L98 Y137K90-K94 WeakPolarHBondContact O-CB 3.25Å; K90-K94 VanDerWaalsContact O-CG 3.26Å; K90-K94 WeakPolarHBondContact O-CG 3.41Å; K90-K94 PolarHBondContact O-N 2.94Å; S91-K94 PolarHBondContact O-N 3.44Å; S91-K94 VanDerWaalsContact O-N 3.15Å; K94-N97 PolarHBondContact O-N 2.95Å; K94-L98 PolarHBondContact O-N 3.03Å; K94-Y137 HydrophobicContact CG-CE1 3.82Å
95D95.1Very high91.6Very high91 Ų9169.1 Ų69.149%0.48735%0.349SS..Hα-helixtrans-65.1-43.2-178.7-69.1-10.2000110.9S91 I92 N97 L98 Y99S91-D95 PolarHBondContact O-N 3.19Å; I92-D95 PolarHBondContact O-N 3.19Å; D95-N97 VanDerWaalsContact C-N 3.34Å; D95-N97 PolarHBondContact O-N 3.43Å; D95-L98 PolarHBondContact O-N 3.45Å; D95-Y99 WeakPolarHBondContact O-CB 3.41Å; D95-Y99 PolarHBondContact O-N 3.02Å
96L96.3Very high92.6Very high2 Ų261.7 Ų61.71%0.0132%0.315CS..Hα-helixtrans-62.7-41.1174.9-169.864.6000111.7W74 I92 L98 Y99 M100 L106 I122 V140 W143W74-L96 HydrophobicContact CH2-CD1 3.59Å; W74-L96 HydrophobicContact CZ2-CD1 4.45Å; W74-L96 HydrophobicContact CZ3-CD1 3.73Å; I92-L96 VanDerWaalsContact O-CB 3.25Å; I92-L96 WeakPolarHBondContact O-CB 3.36Å; I92-L96 PolarHBondContact O-N 3.18Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.02Å; L96-Y99 PolarHBondContact O-N 3.25Å; L96-M100 HydrophobicContact CD1-CG 4.17Å; L96-M100 HydrophobicContact CG-CG 4.29Å; L96-M100 VanDerWaalsContact O-CB 3.3Å; L96-M100 WeakPolarHBondContact O-CB 3.36Å; L96-M100 WeakPolarHBondContact O-CG 3.44Å; L96-M100 PolarHBondContact O-N 3.42Å; L96-L106 HydrophobicContact CD1-CD2 3.7Å; L96-I122 HydrophobicContact CD2-CD1 4.12Å; L96-V140 HydrophobicContact CB-CG2 3.95Å; L96-V140 HydrophobicContact CD2-CG1 3.99Å; L96-V140 HydrophobicContact CD2-CG2 3.94Å; L96-V140 HydrophobicContact CG-CG2 3.82Å; L96-W143 HydrophobicContact CD2-CZ3 4.5Å
97N96.9Very high93.7Very high26 Ų2657.4 Ų57.414%0.13929%0.29CS..Hα-helixtrans-64.8-39.1179-171.468.1000112.5L93 K94 D95 Y137 V138 N139 V140L93-N97 WeakPolarHBondContact O-CB 3.25Å; L93-N97 PolarHBondContact O-N 3.29Å; K94-N97 PolarHBondContact O-N 2.95Å; D95-N97 VanDerWaalsContact C-N 3.34Å; D95-N97 PolarHBondContact O-N 3.43Å; N97-Y137 HydrophobicContact CB-CD1 4.16Å; N97-Y137 VanDerWaalsContact OD1-CA 3.31Å; N97-Y137 WeakPolarHBondContact OD1-CA 3.48Å; N97-Y137 PolarHBondContact OD1-O 2.99Å; N97-V138 PolarHBondContact OD1-N 3.47Å; N97-N139 WeakPolarHBondContact O-CB 3.41Å; N97-N139 PolarHBondContact O-ND2 2.76Å; N97-N139 WeakPolarHBondContact OD1-CA 3.47Å; N97-N139 VanDerWaalsContact OD1-CB 3.31Å; N97-N139 WeakPolarHBondContact OD1-CB 3.29Å; N97-N139 PolarHBondContact OD1-N 3.47Å; N97-V140 HydrophobicContact CB-CG2 3.75Å; N97-V140 PolarHBondContact OD1-N 3.22Å
98L97.3Very high94.1Very high118 Ų11856.6 Ų56.662%0.61830%0.297SS*.Hα-helixtrans-66.2-47.7173.9-178.662.4000110.7K94 D95 L96 M100 Q101K94-L98 PolarHBondContact O-N 3.03Å; D95-L98 PolarHBondContact O-N 3.45Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.02Å; L98-M100 VanDerWaalsContact C-N 3.27Å; L98-M100 PolarHBondContact O-N 3.25Å; L98-Q101 VanDerWaalsContact O-CB 3.32Å; L98-Q101 WeakPolarHBondContact O-CB 3.38Å; L98-Q101 PolarHBondContact O-N 2.89Å
99Y97Very high94.4Very high64 Ų6459 Ų5925%0.25131%0.31SS..Hα-helixtrans-58.9-37.7179.8-179.1-94.4000113.2W74 D95 L96 Q101 K103 L106W74-Y99 AromaticContact CE2-CE1 3.7Å; W74-Y99 AromaticContact CE2-CZ 3.87Å; W74-Y99 HydrophobicContact CH2-CD1 4.07Å; W74-Y99 HydrophobicContact CH2-CE1 4.43Å; W74-Y99 HydrophobicContact CH2-CG 4.2Å; W74-Y99 AromaticContact CZ2-CD1 3.33Å; W74-Y99 HydrophobicContact CZ2-CD1 3.33Å; W74-Y99 AromaticContact CZ2-CD2 3.94Å; W74-Y99 HydrophobicContact CZ2-CD2 3.94Å; W74-Y99 AromaticContact CZ2-CE1 3.32Å; W74-Y99 HydrophobicContact CZ2-CE1 3.32Å; W74-Y99 AromaticContact CZ2-CE2 3.93Å; W74-Y99 HydrophobicContact CZ2-CE2 3.93Å; W74-Y99 AromaticContact CZ2-CG 3.64Å; W74-Y99 HydrophobicContact CZ2-CG 3.64Å; W74-Y99 AromaticContact CZ2-CZ 3.62Å; W74-Y99 AromaticContact NE1-CE1 3.59Å; W74-Y99 AromaticContact NE1-CZ 3.52Å; W74-Y99 PolarHBondContact NE1-OH 3.49Å; D95-Y99 WeakPolarHBondContact O-CB 3.41Å; D95-Y99 PolarHBondContact O-N 3.02Å; L96-Y99 PolarHBondContact O-N 3.25Å; Y99-Q101 VanDerWaalsContact C-N 3.31Å; Y99-Q101 PolarHBondContact O-N 3.2Å; Y99-K103 HydrophobicContact CD1-CD 3.87Å; Y99-K103 HydrophobicContact CE1-CD 3.33Å; Y99-K103 HydrophobicContact CE2-CD 4.32Å; Y99-K103 VanDerWaalsContact CZ-CE 3.46Å; Y99-K103 WeakPolarHBondContact O-CD 3.36Å; Y99-K103 PolarHBondContact O-NZ 3.39Å; Y99-L106 HydrophobicContact CD1-CD2 4.35Å; Y99-L106 HydrophobicContact CE1-CD2 4.28Å; Y99-L106 PolarHBondContact OH-O 3.49Å
100M96.5Very high94.8Very high0 Ų060.8 Ų60.80%032%0.315CS..G310 helixtrans-85.94-175.1-68.1-63.8-70.500114.3L96 L98 D102 K103 L106 N139 R142 W143L96-M100 HydrophobicContact CD1-CG 4.17Å; L96-M100 HydrophobicContact CG-CG 4.29Å; L96-M100 VanDerWaalsContact O-CB 3.3Å; L96-M100 WeakPolarHBondContact O-CB 3.36Å; L96-M100 WeakPolarHBondContact O-CG 3.44Å; L96-M100 PolarHBondContact O-N 3.42Å; L98-M100 VanDerWaalsContact C-N 3.27Å; L98-M100 PolarHBondContact O-N 3.25Å; M100-D102 PolarHBondContact O-N 3.15Å; M100-K103 PolarHBondContact O-N 3.39Å; M100-K103 HydrophobicContact SD-CB 4.17Å; M100-L106 HydrophobicContact CG-CD2 4.4Å; M100-L106 HydrophobicContact SD-CD2 3.6Å; M100-L106 VanDerWaalsContact SD-CD2 3.6Å; M100-L106 HydrophobicContact SD-CG 4.38Å; M100-N139 HydrophobicContact CB-CB 3.92Å; M100-R142 PolarHBondContact O-NH2 2.89Å; M100-R142 VanDerWaalsContact O-NH2 3.11Å; M100-W143 HydrophobicContact CE-CB 3.45Å; M100-W143 VanDerWaalsContact CE-CB 3.45Å; M100-W143 HydrophobicContact CE-CD2 4.15Å; M100-W143 HydrophobicContact CE-CG 3.3Å
101Q96.3Very high95.2Very high133 Ų13356.4 Ų56.462%0.62130%0.296SS*.G310 helixtrans-57.8-36.9-176.9-176.2177.33.100112.9L98 Y99 N139L98-Q101 VanDerWaalsContact O-CB 3.32Å; L98-Q101 WeakPolarHBondContact O-CB 3.38Å; L98-Q101 PolarHBondContact O-N 2.89Å; Y99-Q101 VanDerWaalsContact C-N 3.31Å; Y99-Q101 PolarHBondContact O-N 3.2Å; Q101-N139 WeakPolarHBondContact CA-ND2 3.37Å
102D95.8Very high95.5Very high128 Ų12854 Ų5468%0.68428%0.279SS*.G310 helixtrans-117.113.1-175.665.3-28000113.3M100M100-D102 PolarHBondContact O-N 3.15Å
103K96.6Very high95.8Very high50 Ų5053.8 Ų53.822%0.21728%0.278CS..  trans-124.8141.5-171.2-65.7175.3-168.966.60113.1Y99 M100 Y105 R142Y99-K103 HydrophobicContact CD1-CD 3.87Å; Y99-K103 HydrophobicContact CE1-CD 3.33Å; Y99-K103 HydrophobicContact CE2-CD 4.32Å; Y99-K103 VanDerWaalsContact CZ-CE 3.46Å; Y99-K103 WeakPolarHBondContact O-CD 3.36Å; Y99-K103 PolarHBondContact O-NZ 3.39Å; M100-K103 PolarHBondContact O-N 3.39Å; M100-K103 HydrophobicContact SD-CB 4.17Å; K103-Y105 WeakPolarHBondContact CB-O 3.2Å; K103-R142 PolarHBondContact O-NH2 3.3Å
104V96.8Very high96Very high62 Ų6253.7 Ų53.738%0.37628%0.278SS..SBendtrans-84.5-39172.1-176.30000111.2
105Y98.2Very high96.1Very high28 Ų2847.6 Ų47.611%0.1125%0.251CS..BIsolated β-bridgetrans-128.9165.3179.8-61.7-78.3000110.3K103 A107 N109 Q110 L111 D115 H146 I147K103-Y105 WeakPolarHBondContact CB-O 3.2Å; Y105-A107 VanDerWaalsContact C-N 3.31Å; Y105-A107 PolarHBondContact O-N 2.89Å; Y105-N109 VanDerWaalsContact CD2-C 3.49Å; Y105-Q110 WeakPolarHBondContact CB-O 3.41Å; Y105-Q110 VanDerWaalsContact CG-C 3.49Å; Y105-L111 HydrophobicContact CD1-CB 4.13Å; Y105-L111 HydrophobicContact CD1-CD1 3.95Å; Y105-L111 HydrophobicContact CE1-CB 3.71Å; Y105-L111 HydrophobicContact CE1-CD1 3.73Å; Y105-L111 HydrophobicContact CE1-CG 4.36Å; Y105-D115 WeakPolarHBondContact CA-OD1 3.38Å; Y105-D115 WeakPolarHBondContact CB-OD1 3.47Å; Y105-H146 AromaticContact CE1-CD2 3.75Å; Y105-H146 AromaticContact CE1-NE2 3.74Å; Y105-H146 AromaticContact CZ-CD2 3.86Å; Y105-H146 AromaticContact CZ-NE2 3.37Å; Y105-H146 PolarHBondContact OH-NE2 3.47Å; Y105-I147 HydrophobicContact CD1-CD1 3.87Å; Y105-I147 HydrophobicContact CE1-CD1 3.76Å
106L97.5Very high96.3Very high0 Ų043.2 Ų43.20%023%0.228CC..THydrogen-bonded Turntrans-67-31.6-177.7-70.3173.2000113.5W74 L96 Y99 M100 A114 D115 M118 W143W74-L106 HydrophobicContact CD2-CB 4.34Å; W74-L106 HydrophobicContact CD2-CD1 4.24Å; W74-L106 HydrophobicContact CD2-CD2 4Å; W74-L106 HydrophobicContact CD2-CG 4.44Å; W74-L106 HydrophobicContact CE3-CD1 4.41Å; W74-L106 HydrophobicContact CE3-CD2 4.24Å; W74-L106 HydrophobicContact CG-CB 4.11Å; W74-L106 HydrophobicContact CG-CD1 4.32Å; W74-L106 HydrophobicContact CH2-CD2 4.2Å; W74-L106 HydrophobicContact CZ2-CD2 3.96Å; W74-L106 HydrophobicContact CZ3-CD2 4.33Å; W74-L106 PolarHBondContact NE1-O 3.37Å; L96-L106 HydrophobicContact CD1-CD2 3.7Å; Y99-L106 HydrophobicContact CD1-CD2 4.35Å; Y99-L106 HydrophobicContact CE1-CD2 4.28Å; Y99-L106 PolarHBondContact OH-O 3.49Å; M100-L106 HydrophobicContact CG-CD2 4.4Å; M100-L106 HydrophobicContact SD-CD2 3.6Å; M100-L106 VanDerWaalsContact SD-CD2 3.6Å; M100-L106 HydrophobicContact SD-CG 4.38Å; L106-A114 HydrophobicContact CB-CB 4.28Å; L106-A114 HydrophobicContact CD1-CB 4.28Å; L106-D115 PolarHBondContact N-OD1 2.92Å; L106-M118 HydrophobicContact CD1-CB 3.64Å; L106-M118 HydrophobicContact CD1-CG 3.52Å; L106-W143 HydrophobicContact CD1-CZ2 3.97Å; L106-W143 HydrophobicContact CG-CZ2 4.29Å
107A94.9Very high96.4Very high10 Ų1043.1 Ų43.18%0.08323%0.227CC..THydrogen-bonded Turntrans-125.667.8-175.900000111.3V70 V71 Y105 T112V70-A107 HydrophobicContact CB-CB 4.23Å; V70-A107 HydrophobicContact CG1-CB 3.81Å; V71-A107 HydrophobicContact CG2-CB 3.5Å; Y105-A107 VanDerWaalsContact C-N 3.31Å; Y105-A107 PolarHBondContact O-N 2.89Å; A107-T112 HydrophobicContact CB-CG2 4.01Å
108G85.8Confident96.4Very high40 Ų4042 Ų4241%0.41222%0.221SC..BIsolated β-bridgetrans92.4-139.4176.400000113.3
109N90.9Very high96.5Very high148 Ų14836.3 Ų36.379%0.79119%0.192SC*.SBendtrans-106.88.9-168.9-65.6-29.1000114.1Y105Y105-N109 VanDerWaalsContact CD2-C 3.49Å
110Q94.8Very high96.5Very high83 Ų8333.8 Ų33.839%0.38818%0.182SC..SBendtrans-131.9153.7179.966.1-170.253.700111E59 Y105 T112E59-Q110 PolarHBondContact O-NE2 2.68Å; E59-Q110 VanDerWaalsContact O-NE2 3.17Å; Y105-Q110 WeakPolarHBondContact CB-O 3.41Å; Y105-Q110 VanDerWaalsContact CG-C 3.49Å; Q110-T112 HydrophobicContact CG-CG2 4.31Å; Q110-T112 PolarHBondContact O-N 3.36Å
111L98Very high96.4Very high15 Ų1534.2 Ų34.28%0.07919%0.186CC..  trans-62.6130.7173-176.777.5000110.1Y13 L60 Y105 D115 V116 I147 V153Y13-L111 WeakPolarHBondContact OH-CD2 3.41Å; L60-L111 WeakPolarHBondContact CD2-O 3.48Å; Y105-L111 HydrophobicContact CD1-CB 4.13Å; Y105-L111 HydrophobicContact CD1-CD1 3.95Å; Y105-L111 HydrophobicContact CE1-CB 3.71Å; Y105-L111 HydrophobicContact CE1-CD1 3.73Å; Y105-L111 HydrophobicContact CE1-CG 4.36Å; L111-D115 HydrophobicContact CD1-CB 3.53Å; L111-V116 HydrophobicContact CD1-CG2 4.49Å; L111-V116 HydrophobicContact CD2-CG2 4.37Å; L111-I147 HydrophobicContact CD1-CD1 3.61Å; L111-V153 HydrophobicContact CD2-CG2 4.21Å
112T98.6Very high96.4Very high0 Ų027.9 Ų27.90%016%0.156CC..  trans-125.4175.4175.764.90000111.9L60 V71 A107 Q110 A114 D115 V116L60-T112 WeakPolarHBondContact O-CB 3.45Å; V71-T112 HydrophobicContact CG2-CG2 3.84Å; A107-T112 HydrophobicContact CB-CG2 4.01Å; Q110-T112 HydrophobicContact CG-CG2 4.31Å; Q110-T112 PolarHBondContact O-N 3.36Å; T112-A114 PolarHBondContact O-N 3.23Å; T112-A114 PolarHBondContact OG1-N 3.08Å; T112-D115 PolarHBondContact N-OD2 3.13Å; T112-D115 PolarHBondContact O-N 3.09Å; T112-D115 PolarHBondContact OG1-OD2 3.45Å; T112-V116 PolarHBondContact O-N 3.16Å
113L98.6Very high96.4Very high1 Ų122.2 Ų22.21%0.00513%0.126CC..Hα-helixtrans-60.8-30.2173.9-175.762000112L10 A48 V52 L60 L61 L75 D115 V116 L117L10-L113 HydrophobicContact CD1-CD1 3.85Å; L10-L113 HydrophobicContact CD2-CD1 3.83Å; A48-L113 HydrophobicContact CB-CD1 4.28Å; A48-L113 HydrophobicContact CB-CD2 4.01Å; V52-L113 HydrophobicContact CG2-CD1 3.95Å; V52-L113 HydrophobicContact CG2-CD2 4.03Å; V52-L113 HydrophobicContact CG2-CG 4.4Å; L60-L113 WeakPolarHBondContact O-CB 3.37Å; L60-L113 PolarHBondContact O-N 3.44Å; L61-L113 HydrophobicContact CD2-CD2 3.92Å; L75-L113 HydrophobicContact CD1-CD2 4.07Å; L75-L113 HydrophobicContact CD2-CD2 4.41Å; L75-L113 HydrophobicContact CD2-CG 4.18Å; L113-D115 VanDerWaalsContact C-N 3.34Å; L113-D115 PolarHBondContact O-N 3.05Å; L113-V116 PolarHBondContact O-N 3.33Å; L113-L117 HydrophobicContact CD1-CD1 4.16Å; L113-L117 HydrophobicContact CD1-CG 4.01Å; L113-L117 HydrophobicContact CG-CD1 4.12Å; L113-L117 HydrophobicContact CG-CG 4.3Å; L113-L117 PolarHBondContact O-N 3.36Å
114A98.5Very high96.2Very high0 Ų022.2 Ų22.20%013%0.132CC..Hα-helixtrans-58.5-46.8174.600000111V71 W74 L106 T112 V116 M118V71-A114 HydrophobicContact CG1-CB 4.44Å; W74-A114 HydrophobicContact CB-CB 3.6Å; W74-A114 HydrophobicContact CG-CB 4.35Å; L106-A114 HydrophobicContact CB-CB 4.28Å; L106-A114 HydrophobicContact CD1-CB 4.28Å; T112-A114 PolarHBondContact O-N 3.23Å; T112-A114 PolarHBondContact OG1-N 3.08Å; A114-V116 PolarHBondContact O-N 3.35Å; A114-M118 VanDerWaalsContact O-CB 3.23Å; A114-M118 WeakPolarHBondContact O-CB 3.25Å; A114-M118 VanDerWaalsContact O-CG 3.3Å; A114-M118 WeakPolarHBondContact O-CG 3.31Å; A114-M118 PolarHBondContact O-N 2.86Å
115D98.7Very high96Very high0 Ų020.6 Ų20.60%012%0.122CC..Hα-helixtrans-61.7-46.4179-60.4-81.7000111.9Y105 L106 L111 T112 L113 Y119 W143 I147Y105-D115 WeakPolarHBondContact CA-OD1 3.38Å; Y105-D115 WeakPolarHBondContact CB-OD1 3.47Å; L106-D115 PolarHBondContact N-OD1 2.92Å; L111-D115 HydrophobicContact CD1-CB 3.53Å; T112-D115 PolarHBondContact N-OD2 3.13Å; T112-D115 PolarHBondContact O-N 3.09Å; T112-D115 PolarHBondContact OG1-OD2 3.45Å; L113-D115 VanDerWaalsContact C-N 3.34Å; L113-D115 PolarHBondContact O-N 3.05Å; D115-Y119 WeakPolarHBondContact O-CB 3.23Å; D115-Y119 PolarHBondContact O-N 3.04Å; D115-W143 HydrophobicContact CB-CZ2 4.44Å; D115-W143 PolarHBondContact OD1-NE1 2.96Å; D115-I147 HydrophobicContact CB-CD1 4.11Å
116V98.6Very high95.8Very high0 Ų019.5 Ų19.50%012%0.118CC..Hα-helixtrans-62.8-47.8-177.8176.80000111.2L10 Y13 L111 T112 L113 A114 Y120 V153L10-V116 HydrophobicContact CD1-CG1 4.04Å; Y13-V116 HydrophobicContact CD1-CG2 4.4Å; Y13-V116 HydrophobicContact CE1-CG2 4.01Å; L111-V116 HydrophobicContact CD1-CG2 4.49Å; L111-V116 HydrophobicContact CD2-CG2 4.37Å; T112-V116 PolarHBondContact O-N 3.16Å; L113-V116 PolarHBondContact O-N 3.33Å; A114-V116 PolarHBondContact O-N 3.35Å; V116-Y120 HydrophobicContact CG1-CD2 4.29Å; V116-Y120 HydrophobicContact CG1-CE2 3.66Å; V116-Y120 WeakPolarHBondContact O-CD2 3.45Å; V116-Y120 PolarHBondContact O-N 3.14Å; V116-Y120 VanDerWaalsContact O-N 3.16Å; V116-V153 HydrophobicContact CG1-CG1 4.4Å; V116-V153 HydrophobicContact CG2-CG1 4.4Å; V116-V153 HydrophobicContact CG2-CG2 4.35Å
117L98.2Very high95.7Very high0 Ų023 Ų230%014%0.136CC..Hα-helixtrans-75.6-35-178.2-68.5-173000112.7L10 A48 L75 R78 L113 Y119 Y120 G121L10-L117 HydrophobicContact CD2-CD2 4.48Å; A48-L117 HydrophobicContact CB-CD1 3.75Å; L75-L117 HydrophobicContact CD2-CB 4.34Å; L75-L117 HydrophobicContact CD2-CD1 3.68Å; L75-L117 HydrophobicContact CD2-CG 4.43Å; R78-L117 PolarHBondContact NH1-O 3.49Å; L113-L117 HydrophobicContact CD1-CD1 4.16Å; L113-L117 HydrophobicContact CD1-CG 4.01Å; L113-L117 HydrophobicContact CG-CD1 4.12Å; L113-L117 HydrophobicContact CG-CG 4.3Å; L113-L117 PolarHBondContact O-N 3.36Å; L117-Y119 VanDerWaalsContact C-N 3.34Å; L117-Y120 HydrophobicContact CD2-CD2 4.11Å; L117-Y120 PolarHBondContact O-N 3.3Å; L117-G121 PolarHBondContact O-N 3.09Å
118M97.8Very high95.5Very high1 Ų128.9 Ų28.91%0.00517%0.166CC..Hα-helixtrans-65.5-40.7172.7-76-64.4-67.700111.1W74 Y77 R78 L82 L106 A114 Y120 G121 I122 W143W74-M118 HydrophobicContact CE3-CE 4.24Å; W74-M118 HydrophobicContact CE3-CG 4.48Å; W74-M118 HydrophobicContact CE3-SD 4.47Å; W74-M118 HydrophobicContact CZ3-CE 4.21Å; Y77-M118 HydrophobicContact CD1-CE 4.05Å; Y77-M118 HydrophobicContact CD1-SD 4.32Å; Y77-M118 HydrophobicContact CE1-CE 4.21Å; R78-M118 HydrophobicContact CB-SD 3.83Å; L82-M118 HydrophobicContact CD2-SD 4.42Å; L106-M118 HydrophobicContact CD1-CB 3.64Å; L106-M118 HydrophobicContact CD1-CG 3.52Å; A114-M118 VanDerWaalsContact O-CB 3.23Å; A114-M118 WeakPolarHBondContact O-CB 3.25Å; A114-M118 VanDerWaalsContact O-CG 3.3Å; A114-M118 WeakPolarHBondContact O-CG 3.31Å; A114-M118 PolarHBondContact O-N 2.86Å; M118-Y120 PolarHBondContact O-N 3.43Å; M118-G121 PolarHBondContact O-N 3.07Å; M118-I122 HydrophobicContact CE-CG2 4.44Å; M118-I122 WeakPolarHBondContact O-CG1 3.42Å; M118-I122 PolarHBondContact O-N 3.36Å; M118-W143 HydrophobicContact CB-CH2 3.83Å; M118-W143 HydrophobicContact CB-CZ2 4.13Å
119Y98.1Very high95.8Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-57.2-48175.9165.6-104.1000111.8D115 L117 H123 F144 I147 Q148 V153 R154 L157D115-Y119 WeakPolarHBondContact O-CB 3.23Å; D115-Y119 PolarHBondContact O-N 3.04Å; L117-Y119 VanDerWaalsContact C-N 3.34Å; Y119-H123 AromaticContact CZ-CD2 3.89Å; Y119-H123 WeakPolarHBondContact O-CB 3.49Å; Y119-H123 PolarHBondContact O-N 3.03Å; Y119-H123 VanDerWaalsContact O-N 3.1Å; Y119-F144 AromaticContact CD2-CD2 3.78Å; Y119-F144 HydrophobicContact CD2-CD2 3.78Å; Y119-F144 AromaticContact CD2-CE2 3.6Å; Y119-F144 HydrophobicContact CD2-CE2 3.6Å; Y119-F144 HydrophobicContact CD2-CG 4.35Å; Y119-F144 HydrophobicContact CD2-CZ 4.02Å; Y119-F144 HydrophobicContact CE2-CD1 4.28Å; Y119-F144 HydrophobicContact CE2-CD2 4.06Å; Y119-F144 AromaticContact CE2-CE1 3.84Å; Y119-F144 HydrophobicContact CE2-CE1 3.84Å; Y119-F144 AromaticContact CE2-CE2 3.61Å; Y119-F144 HydrophobicContact CE2-CE2 3.61Å; Y119-F144 HydrophobicContact CE2-CG 4.39Å; Y119-F144 AromaticContact CE2-CZ 3.51Å; Y119-F144 HydrophobicContact CE2-CZ 3.51Å; Y119-I147 HydrophobicContact CD1-CG2 4.09Å; Y119-I147 HydrophobicContact CD2-CB 4.14Å; Y119-I147 HydrophobicContact CD2-CG2 3.98Å; Y119-I147 HydrophobicContact CG-CB 4.27Å; Y119-I147 HydrophobicContact CG-CG2 3.62Å; Y119-Q148 HydrophobicContact CE2-CB 3.7Å; Y119-Q148 WeakPolarHBondContact OH-CB 3.1Å; Y119-V153 HydrophobicContact CD1-CG1 3.9Å; Y119-V153 HydrophobicContact CE1-CG1 4.2Å; Y119-R154 WeakPolarHBondContact OH-CG 3.33Å; Y119-L157 HydrophobicContact CE1-CD1 3.79Å
120Y97.6Very high95.7Very high11 Ų1123.1 Ų23.14%0.04313%0.132CC..Hα-helixtrans-62.3-43.9175.3-65-25.1000112.6E6 S9 L10 V116 L117 M118 I122 H123 V153 L157E6-Y120 HydrophobicContact CB-CD2 3.85Å; E6-Y120 HydrophobicContact CB-CG 4.46Å; E6-Y120 HydrophobicContact CG-CD2 4.11Å; E6-Y120 HydrophobicContact CG-CG 4.23Å; S9-Y120 WeakPolarHBondContact CB-OH 3.32Å; L10-Y120 HydrophobicContact CB-CE2 4.5Å; V116-Y120 HydrophobicContact CG1-CD2 4.29Å; V116-Y120 HydrophobicContact CG1-CE2 3.66Å; V116-Y120 WeakPolarHBondContact O-CD2 3.45Å; V116-Y120 PolarHBondContact O-N 3.14Å; V116-Y120 VanDerWaalsContact O-N 3.16Å; L117-Y120 HydrophobicContact CD2-CD2 4.11Å; L117-Y120 PolarHBondContact O-N 3.3Å; M118-Y120 PolarHBondContact O-N 3.43Å; Y120-I122 PolarHBondContact O-N 3.16Å; Y120-H123 WeakPolarHBondContact O-CB 3.48Å; Y120-H123 PolarHBondContact O-N 3.05Å; Y120-V153 WeakPolarHBondContact CE1-O 3.25Å; Y120-V153 PolarHBondContact OH-O 2.97Å; Y120-L157 HydrophobicContact CD1-CD1 3.49Å; Y120-L157 VanDerWaalsContact CD1-CD1 3.49Å; Y120-L157 HydrophobicContact CE1-CD1 3.9Å
121G95.1Very high95.3Very high8 Ų822.2 Ų22.28%0.08213%0.132CC..Hα-helixtrans-64.4-37.9-176.900000113.5R78 L117 M118R78-G121 VanDerWaalsContact CZ-CA 3.46Å; L117-G121 PolarHBondContact O-N 3.09Å; M118-G121 PolarHBondContact O-N 3.07Å
122I95.3Very high94.6Very high1 Ų127.7 Ų27.71%0.00516%0.157CC..Hα-helixtrans-94.51.5179.177.4166000113.3L82 L96 M118 Y120 S124 V125 I126 V140 W143 F144L82-I122 HydrophobicContact CD1-CG2 4.05Å; L82-I122 HydrophobicContact CD2-CG2 3.54Å; L82-I122 HydrophobicContact CG-CG2 4.48Å; L96-I122 HydrophobicContact CD2-CD1 4.12Å; M118-I122 HydrophobicContact CE-CG2 4.44Å; M118-I122 WeakPolarHBondContact O-CG1 3.42Å; M118-I122 PolarHBondContact O-N 3.36Å; Y120-I122 PolarHBondContact O-N 3.16Å; I122-S124 PolarHBondContact O-N 2.81Å; I122-V125 WeakPolarHBondContact O-CB 3.46Å; I122-V125 PolarHBondContact O-N 3.48Å; I122-I126 HydrophobicContact CB-CG1 4.39Å; I122-I126 HydrophobicContact CD1-CD1 4.1Å; I122-I126 HydrophobicContact CD1-CG1 3.71Å; I122-I126 HydrophobicContact CG1-CG1 3.92Å; I122-I126 WeakPolarHBondContact O-CG1 3.47Å; I122-I126 PolarHBondContact O-N 3.09Å; I122-V140 HydrophobicContact CD1-CG1 3.87Å; I122-W143 HydrophobicContact CD1-CH2 4.35Å; I122-W143 HydrophobicContact CD1-CZ3 3.58Å; I122-W143 HydrophobicContact CG1-CZ3 4.22Å; I122-F144 HydrophobicContact CD1-CD2 4.17Å; I122-F144 HydrophobicContact CG1-CD2 4.1Å; I122-F144 HydrophobicContact CG1-CE2 4.15Å
123H95.9Very high94.1Very high9 Ų930.4 Ų30.44%0.04217%0.17CC..Hα-helixtrans-57.5-50.2-174-177.8-78.8000112.3Y119 Y120 V125 I126 L127 F144 L157 P158Y119-H123 AromaticContact CZ-CD2 3.89Å; Y119-H123 WeakPolarHBondContact O-CB 3.49Å; Y119-H123 PolarHBondContact O-N 3.03Å; Y119-H123 VanDerWaalsContact O-N 3.1Å; Y120-H123 WeakPolarHBondContact O-CB 3.48Å; Y120-H123 PolarHBondContact O-N 3.05Å; H123-V125 VanDerWaalsContact C-N 3.33Å; H123-V125 PolarHBondContact O-N 3.37Å; H123-I126 PolarHBondContact O-N 3.19Å; H123-L127 WeakPolarHBondContact O-CB 3.39Å; H123-L127 PolarHBondContact O-N 3.02Å; H123-F144 HydrophobicContact CB-CE2 4.46Å; H123-F144 HydrophobicContact CB-CZ 4.43Å; H123-F144 AromaticContact CD2-CZ 3.57Å; H123-L157 HydrophobicContact CB-CD1 4.23Å; H123-P158 PolarHBondContact NE2-O 2.96Å
124S93.1Very high93.5Very high49 Ų4931.8 Ų31.834%0.34318%0.176SC..Hα-helixtrans-64-39.1178.756.30000112.1I122 L127 D128I122-S124 PolarHBondContact O-N 2.81Å; S124-L127 PolarHBondContact O-N 2.83Å; S124-D128 WeakPolarHBondContact O-CB 3.37Å; S124-D128 VanDerWaalsContact O-CG 3.23Å; S124-D128 PolarHBondContact O-N 3.19Å
125V92.8Very high93Very high28 Ų2835.4 Ų35.417%0.1719%0.193CC..Hα-helixtrans-57.8-52.9175.8169.70000110.4T89 L93 I122 H123 L127 D128 L129T89-V125 HydrophobicContact CG2-CB 4.08Å; T89-V125 HydrophobicContact CG2-CG1 3.21Å; T89-V125 HydrophobicContact CG2-CG2 3.68Å; L93-V125 HydrophobicContact CD1-CG1 3.89Å; L93-V125 HydrophobicContact CD2-CG1 4.39Å; L93-V125 HydrophobicContact CG-CG1 4.39Å; I122-V125 WeakPolarHBondContact O-CB 3.46Å; I122-V125 PolarHBondContact O-N 3.48Å; H123-V125 VanDerWaalsContact C-N 3.33Å; H123-V125 PolarHBondContact O-N 3.37Å; V125-L127 VanDerWaalsContact C-N 3.32Å; V125-L127 PolarHBondContact O-N 2.95Å; V125-D128 PolarHBondContact O-N 3.46Å; V125-L129 WeakPolarHBondContact O-CG 3.43Å; V125-L129 PolarHBondContact O-N 2.81Å
126I93.9Very high92.6Very high5 Ų541.3 Ų41.33%0.02622%0.221CC..Hα-helixtrans-68.1-33.9-177.9-62.7-61.8000111.4L93 I122 H123 D128 L129 K134 V140 F144 V160L93-I126 HydrophobicContact CD2-CD1 3.8Å; I122-I126 HydrophobicContact CB-CG1 4.39Å; I122-I126 HydrophobicContact CD1-CD1 4.1Å; I122-I126 HydrophobicContact CD1-CG1 3.71Å; I122-I126 HydrophobicContact CG1-CG1 3.92Å; I122-I126 WeakPolarHBondContact O-CG1 3.47Å; I122-I126 PolarHBondContact O-N 3.09Å; H123-I126 PolarHBondContact O-N 3.19Å; I126-D128 VanDerWaalsContact C-N 3.32Å; I126-D128 PolarHBondContact O-N 3.2Å; I126-L129 HydrophobicContact CD1-CD1 3.94Å; I126-K134 WeakPolarHBondContact O-CE 3.15Å; I126-K134 PolarHBondContact O-NZ 2.77Å; I126-V140 HydrophobicContact CD1-CG1 4.05Å; I126-F144 HydrophobicContact CB-CD2 4.13Å; I126-F144 HydrophobicContact CB-CE1 4.47Å; I126-F144 HydrophobicContact CB-CE2 3.83Å; I126-F144 HydrophobicContact CB-CZ 3.98Å; I126-F144 HydrophobicContact CG1-CD2 3.82Å; I126-F144 HydrophobicContact CG1-CE2 3.87Å; I126-F144 HydrophobicContact CG1-CG 4.42Å; I126-F144 HydrophobicContact CG2-CD1 3.93Å; I126-F144 HydrophobicContact CG2-CD2 4.11Å; I126-F144 HydrophobicContact CG2-CE1 3.9Å; I126-F144 HydrophobicContact CG2-CE2 4.06Å; I126-F144 HydrophobicContact CG2-CG 4.02Å; I126-F144 HydrophobicContact CG2-CZ 3.94Å; I126-V160 HydrophobicContact CG2-CG1 4.15Å
127L93.8Very high92.4Very high74 Ų7441.9 Ų41.939%0.38722%0.223SC..Hα-helixtrans-60.1-44.2174.9-178.465.7000111.3H123 S124 V125 P158 V160H123-L127 WeakPolarHBondContact O-CB 3.39Å; H123-L127 PolarHBondContact O-N 3.02Å; S124-L127 PolarHBondContact O-N 2.83Å; V125-L127 VanDerWaalsContact C-N 3.32Å; V125-L127 PolarHBondContact O-N 2.95Å; L127-P158 HydrophobicContact CD2-CG 4.13Å; L127-V160 HydrophobicContact CB-CG2 4.22Å; L127-V160 HydrophobicContact CD1-CG2 3.94Å
128D92.3Very high92.1Very high133 Ų13345.9 Ų45.971%0.71125%0.247SC*.Hα-helixtrans-77.3-17.5-175-67.3-17000113.9S124 V125 I126S124-D128 WeakPolarHBondContact O-CB 3.37Å; S124-D128 VanDerWaalsContact O-CG 3.23Å; S124-D128 PolarHBondContact O-N 3.19Å; V125-D128 PolarHBondContact O-N 3.46Å; I126-D128 VanDerWaalsContact C-N 3.32Å; I126-D128 PolarHBondContact O-N 3.2Å
129L91Very high92Very high23 Ų2347.1 Ų47.112%0.1225%0.254CS..SBendtrans-65.1137.6177.1-70.5179.7000112.4L93 V125 I126 E133 K134 Y137L93-L129 HydrophobicContact CD1-CD1 3.86Å; L93-L129 HydrophobicContact CD1-CD2 4.48Å; V125-L129 WeakPolarHBondContact O-CG 3.43Å; V125-L129 PolarHBondContact O-N 2.81Å; I126-L129 HydrophobicContact CD1-CD1 3.94Å; L129-E133 HydrophobicContact CB-CB 4.26Å; L129-E133 HydrophobicContact CD2-CB 4.02Å; L129-K134 HydrophobicContact CB-CD 4.46Å; L129-K134 HydrophobicContact CB-CG 3.84Å; L129-K134 HydrophobicContact CD1-CG 4.28Å; L129-K134 WeakPolarHBondContact O-CE 3.16Å; L129-K134 PolarHBondContact O-NZ 3.29Å; L129-Y137 HydrophobicContact CD1-CD2 4.17Å; L129-Y137 HydrophobicContact CD1-CE2 4.43Å
130A89.4Confident92Very high45 Ų4547.1 Ų47.137%0.37225%0.254SS..  trans-63.9158.3167.700000110.9Q132 E133 K134A130-Q132 VanDerWaalsContact C-N 3.26Å; A130-Q132 PolarHBondContact O-N 3.4Å; A130-E133 HydrophobicContact CB-CG 4.25Å; A130-E133 PolarHBondContact N-OE2 3.03Å; A130-E133 PolarHBondContact O-N 3.5Å; A130-E133 VanDerWaalsContact O-N 3.09Å; A130-K134 PolarHBondContact O-N 3.39Å
131V85.9Confident91.8Very high64 Ų6447 Ų4739%0.38826%0.255SS..Hα-helixtrans-56.2-43.5179.9173.70000111.4E133 K134 E135 L163V131-E133 VanDerWaalsContact C-N 3.31Å; V131-E133 PolarHBondContact O-N 3.45Å; V131-K134 WeakPolarHBondContact O-CB 3.41Å; V131-K134 PolarHBondContact O-N 2.86Å; V131-E135 PolarHBondContact O-N 2.91Å; V131-E135 VanDerWaalsContact O-N 3.16Å; V131-L163 HydrophobicContact CG1-CD1 3.38Å; V131-L163 HydrophobicContact CG1-CG 4.18Å
132Q84.2Confident91.9Very high129 Ų12951.3 Ų51.360%0.60327%0.269SS*.Hα-helixtrans-66.1-32.5180-63.279.72.400112.3A130 E135A130-Q132 VanDerWaalsContact C-N 3.26Å; A130-Q132 PolarHBondContact O-N 3.4Å; Q132-E135 PolarHBondContact O-N 2.72Å
133E87.1Confident92Very high58 Ų5851.2 Ų51.227%0.27127%0.269SS..Hα-helixtrans-73.4-37.6176-64.2177.8119.100111L129 A130 V131 E135 Q136 Y137L129-E133 HydrophobicContact CB-CB 4.26Å; L129-E133 HydrophobicContact CD2-CB 4.02Å; A130-E133 HydrophobicContact CB-CG 4.25Å; A130-E133 PolarHBondContact N-OE2 3.03Å; A130-E133 PolarHBondContact O-N 3.5Å; A130-E133 VanDerWaalsContact O-N 3.09Å; V131-E133 VanDerWaalsContact C-N 3.31Å; V131-E133 PolarHBondContact O-N 3.45Å; E133-E135 PolarHBondContact O-N 3.34Å; E133-Q136 WeakPolarHBondContact O-CB 3.35Å; E133-Q136 PolarHBondContact O-N 2.9Å; E133-Y137 WeakPolarHBondContact O-CD2 3.41Å
134K86.7Confident92Very high29 Ų2950.8 Ų50.813%0.12627%0.267CS..Hα-helixtrans-59.7-36.3173.4-69.6165.4174.1150.10111.7I126 L129 A130 V131 Q136 Y137I126-K134 WeakPolarHBondContact O-CE 3.15Å; I126-K134 PolarHBondContact O-NZ 2.77Å; L129-K134 HydrophobicContact CB-CD 4.46Å; L129-K134 HydrophobicContact CB-CG 3.84Å; L129-K134 HydrophobicContact CD1-CG 4.28Å; L129-K134 WeakPolarHBondContact O-CE 3.16Å; L129-K134 PolarHBondContact O-NZ 3.29Å; A130-K134 PolarHBondContact O-N 3.39Å; V131-K134 WeakPolarHBondContact O-CB 3.41Å; V131-K134 PolarHBondContact O-N 2.86Å; K134-Q136 VanDerWaalsContact C-N 3.26Å; K134-Q136 PolarHBondContact O-N 3.14Å; K134-Y137 CarbonylContact O-C 3.47Å; K134-Y137 PolarHBondContact O-N 3.29Å
135E86.8Confident92.2Very high76 Ų7649 Ų4936%0.35525%0.253SS..Hα-helixtrans-64.7-27175.6-69.7179160.400113V131 Q132 E133 Y137 N165V131-E135 PolarHBondContact O-N 2.91Å; V131-E135 VanDerWaalsContact O-N 3.16Å; Q132-E135 PolarHBondContact O-N 2.72Å; E133-E135 PolarHBondContact O-N 3.34Å; E135-Y137 VanDerWaalsContact C-N 3.3Å; E135-Y137 PolarHBondContact O-N 2.61Å; E135-N165 PolarHBondContact OE1-ND2 3.03Å; E135-N165 VanDerWaalsContact OE1-ND2 3.16Å
136Q90.8Very high92.4Very high125 Ų12551.3 Ų51.358%0.58426%0.262SS*.Hα-helixtrans-71.5-26.4175-61177.36.500112.6E133 K134E133-Q136 WeakPolarHBondContact O-CB 3.35Å; E133-Q136 PolarHBondContact O-N 2.9Å; K134-Q136 VanDerWaalsContact C-N 3.26Å; K134-Q136 PolarHBondContact O-N 3.14Å
137Y93.8Very high92.6Very high11 Ų1151 Ų514%0.04326%0.261CS..THydrogen-bonded Turntrans-110.647.3-178.8-50.3-67.4000111.6L93 K94 N97 L129 E133 K134 E135 N139 V140 A141L93-Y137 HydrophobicContact CB-CD1 3.83Å; L93-Y137 HydrophobicContact CB-CD2 4.27Å; L93-Y137 HydrophobicContact CB-CE1 3.72Å; L93-Y137 HydrophobicContact CB-CE2 4.18Å; L93-Y137 HydrophobicContact CB-CG 4.11Å; L93-Y137 HydrophobicContact CD1-CD2 4.08Å; L93-Y137 HydrophobicContact CD1-CE2 3.88Å; K94-Y137 HydrophobicContact CG-CE1 3.82Å; N97-Y137 HydrophobicContact CB-CD1 4.16Å; N97-Y137 VanDerWaalsContact OD1-CA 3.31Å; N97-Y137 WeakPolarHBondContact OD1-CA 3.48Å; N97-Y137 PolarHBondContact OD1-O 2.99Å; L129-Y137 HydrophobicContact CD1-CD2 4.17Å; L129-Y137 HydrophobicContact CD1-CE2 4.43Å; E133-Y137 WeakPolarHBondContact O-CD2 3.41Å; K134-Y137 CarbonylContact O-C 3.47Å; K134-Y137 PolarHBondContact O-N 3.29Å; E135-Y137 VanDerWaalsContact C-N 3.3Å; E135-Y137 PolarHBondContact O-N 2.61Å; Y137-N139 VanDerWaalsContact C-N 3.27Å; Y137-N139 PolarHBondContact O-N 3.32Å; Y137-N139 VanDerWaalsContact O-N 3.13Å; Y137-V140 PolarHBondContact O-N 3.06Å; Y137-A141 WeakPolarHBondContact O-CB 3.34Å; Y137-A141 PolarHBondContact O-N 2.88Å
138V93.5Very high92.7Very high85 Ų8547.7 Ų47.752%0.51524%0.243SC..Hα-helixtrans-46.7-42.4-17641.50000114.4N97 R142N97-V138 PolarHBondContact OD1-N 3.47Å; V138-R142 VanDerWaalsContact O-CB 3.31Å; V138-R142 WeakPolarHBondContact O-CB 3.47Å; V138-R142 PolarHBondContact O-N 3.22Å
139N95.8Very high93Very high27 Ų2747.1 Ų47.114%0.14424%0.236CC..Hα-helixtrans-73.6-39.8-177.8-57.6-42.9000111.5N97 M100 Q101 Y137 W143N97-N139 WeakPolarHBondContact O-CB 3.41Å; N97-N139 PolarHBondContact O-ND2 2.76Å; N97-N139 WeakPolarHBondContact OD1-CA 3.47Å; N97-N139 VanDerWaalsContact OD1-CB 3.31Å; N97-N139 WeakPolarHBondContact OD1-CB 3.29Å; N97-N139 PolarHBondContact OD1-N 3.47Å; M100-N139 HydrophobicContact CB-CB 3.92Å; Q101-N139 WeakPolarHBondContact CA-ND2 3.37Å; Y137-N139 VanDerWaalsContact C-N 3.27Å; Y137-N139 PolarHBondContact O-N 3.32Å; Y137-N139 VanDerWaalsContact O-N 3.13Å; N139-W143 WeakPolarHBondContact O-CB 3.39Å; N139-W143 PolarHBondContact O-N 2.86Å
140V96.7Very high93.3Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-65-45.8173-179.50000110.2L93 L96 N97 I122 I126 Y137 R142 W143 F144L93-V140 HydrophobicContact CD2-CG1 4.23Å; L96-V140 HydrophobicContact CB-CG2 3.95Å; L96-V140 HydrophobicContact CD2-CG1 3.99Å; L96-V140 HydrophobicContact CD2-CG2 3.94Å; L96-V140 HydrophobicContact CG-CG2 3.82Å; N97-V140 HydrophobicContact CB-CG2 3.75Å; N97-V140 PolarHBondContact OD1-N 3.22Å; I122-V140 HydrophobicContact CD1-CG1 3.87Å; I126-V140 HydrophobicContact CD1-CG1 4.05Å; Y137-V140 PolarHBondContact O-N 3.06Å; V140-R142 VanDerWaalsContact C-N 3.33Å; V140-R142 PolarHBondContact O-N 3.39Å; V140-W143 HydrophobicContact CG1-CE3 4.41Å; V140-W143 PolarHBondContact O-N 3.44Å; V140-F144 WeakPolarHBondContact O-CB 3.34Å; V140-F144 PolarHBondContact O-N 3.01Å
141A94.9Very high93.6Very high9 Ų951.3 Ų51.37%0.07426%0.256CS..Hα-helixtrans-61.2-42.8179.600000111.3Y137 F144 D145 V162Y137-A141 WeakPolarHBondContact O-CB 3.34Å; Y137-A141 PolarHBondContact O-N 2.88Å; A141-F144 PolarHBondContact O-N 2.94Å; A141-D145 VanDerWaalsContact O-CB 3.3Å; A141-D145 WeakPolarHBondContact O-CB 3.48Å; A141-D145 PolarHBondContact O-N 2.97Å; A141-V162 HydrophobicContact CB-CG1 3.78Å
142R95.4Very high94Very high97 Ų9750.2 Ų50.237%0.36626%0.258SS..Hα-helixtrans-60.3-49.8173.3177.9-171.561.584.53.4112M100 K103 V138 V140 D145 H146M100-R142 PolarHBondContact O-NH2 2.89Å; M100-R142 VanDerWaalsContact O-NH2 3.11Å; K103-R142 PolarHBondContact O-NH2 3.3Å; V138-R142 VanDerWaalsContact O-CB 3.31Å; V138-R142 WeakPolarHBondContact O-CB 3.47Å; V138-R142 PolarHBondContact O-N 3.22Å; V140-R142 VanDerWaalsContact C-N 3.33Å; V140-R142 PolarHBondContact O-N 3.39Å; R142-D145 PolarHBondContact O-N 3.44Å; R142-H146 WeakPolarHBondContact O-CB 3.38Å; R142-H146 PolarHBondContact O-N 3.41Å
143W97.4Very high94.6Very high0 Ų044.1 Ų44.10%023%0.229CC..Hα-helixtrans-62.8-46.5178.5164.483.5000111.2L96 M100 L106 D115 M118 I122 N139 V140 D145 H146 I147L96-W143 HydrophobicContact CD2-CZ3 4.5Å; M100-W143 HydrophobicContact CE-CB 3.45Å; M100-W143 VanDerWaalsContact CE-CB 3.45Å; M100-W143 HydrophobicContact CE-CD2 4.15Å; M100-W143 HydrophobicContact CE-CG 3.3Å; L106-W143 HydrophobicContact CD1-CZ2 3.97Å; L106-W143 HydrophobicContact CG-CZ2 4.29Å; D115-W143 HydrophobicContact CB-CZ2 4.44Å; D115-W143 PolarHBondContact OD1-NE1 2.96Å; M118-W143 HydrophobicContact CB-CH2 3.83Å; M118-W143 HydrophobicContact CB-CZ2 4.13Å; I122-W143 HydrophobicContact CD1-CH2 4.35Å; I122-W143 HydrophobicContact CD1-CZ3 3.58Å; I122-W143 HydrophobicContact CG1-CZ3 4.22Å; N139-W143 WeakPolarHBondContact O-CB 3.39Å; N139-W143 PolarHBondContact O-N 2.86Å; V140-W143 HydrophobicContact CG1-CE3 4.41Å; V140-W143 PolarHBondContact O-N 3.44Å; W143-D145 VanDerWaalsContact C-N 3.3Å; W143-D145 PolarHBondContact O-N 3.47Å; W143-H146 WeakPolarHBondContact O-CA 3.34Å; W143-H146 WeakPolarHBondContact O-CB 3.22Å; W143-H146 PolarHBondContact O-N 3.09Å; W143-I147 HydrophobicContact CD2-CG1 4.12Å; W143-I147 HydrophobicContact CG-CG1 4.25Å; W143-I147 HydrophobicContact CZ2-CG1 4.09Å; W143-I147 WeakPolarHBondContact O-CG1 3.45Å; W143-I147 PolarHBondContact O-N 3.16Å
144F97.4Very high95Very high0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-58.5-43.9178.2-170.9-83000111.5Y119 I122 H123 I126 V140 A141 H146 I147 Q148 V160Y119-F144 AromaticContact CD2-CD2 3.78Å; Y119-F144 HydrophobicContact CD2-CD2 3.78Å; Y119-F144 AromaticContact CD2-CE2 3.6Å; Y119-F144 HydrophobicContact CD2-CE2 3.6Å; Y119-F144 HydrophobicContact CD2-CG 4.35Å; Y119-F144 HydrophobicContact CD2-CZ 4.02Å; Y119-F144 HydrophobicContact CE2-CD1 4.28Å; Y119-F144 HydrophobicContact CE2-CD2 4.06Å; Y119-F144 AromaticContact CE2-CE1 3.84Å; Y119-F144 HydrophobicContact CE2-CE1 3.84Å; Y119-F144 AromaticContact CE2-CE2 3.61Å; Y119-F144 HydrophobicContact CE2-CE2 3.61Å; Y119-F144 HydrophobicContact CE2-CG 4.39Å; Y119-F144 AromaticContact CE2-CZ 3.51Å; Y119-F144 HydrophobicContact CE2-CZ 3.51Å; I122-F144 HydrophobicContact CD1-CD2 4.17Å; I122-F144 HydrophobicContact CG1-CD2 4.1Å; I122-F144 HydrophobicContact CG1-CE2 4.15Å; H123-F144 HydrophobicContact CB-CE2 4.46Å; H123-F144 HydrophobicContact CB-CZ 4.43Å; H123-F144 AromaticContact CD2-CZ 3.57Å; I126-F144 HydrophobicContact CB-CD2 4.13Å; I126-F144 HydrophobicContact CB-CE1 4.47Å; I126-F144 HydrophobicContact CB-CE2 3.83Å; I126-F144 HydrophobicContact CB-CZ 3.98Å; I126-F144 HydrophobicContact CG1-CD2 3.82Å; I126-F144 HydrophobicContact CG1-CE2 3.87Å; I126-F144 HydrophobicContact CG1-CG 4.42Å; I126-F144 HydrophobicContact CG2-CD1 3.93Å; I126-F144 HydrophobicContact CG2-CD2 4.11Å; I126-F144 HydrophobicContact CG2-CE1 3.9Å; I126-F144 HydrophobicContact CG2-CE2 4.06Å; I126-F144 HydrophobicContact CG2-CG 4.02Å; I126-F144 HydrophobicContact CG2-CZ 3.94Å; V140-F144 WeakPolarHBondContact O-CB 3.34Å; V140-F144 PolarHBondContact O-N 3.01Å; A141-F144 PolarHBondContact O-N 2.94Å; F144-H146 VanDerWaalsContact C-N 3.29Å; F144-H146 PolarHBondContact O-N 2.95Å; F144-I147 PolarHBondContact O-N 3.33Å; F144-Q148 WeakPolarHBondContact O-CB 3.48Å; F144-Q148 WeakPolarHBondContact O-CG 3.24Å; F144-Q148 PolarHBondContact O-N 2.91Å; F144-V160 HydrophobicContact CE1-CB 3.8Å; F144-V160 HydrophobicContact CE1-CG2 3.67Å; F144-V160 HydrophobicContact CZ-CG2 3.98Å
145D96.4Very high95.3Very high12 Ų1247.2 Ų47.26%0.06424%0.24CC..Hα-helixtrans-62.4-37.2175.6-170.548000112.4A141 R142 W143 Q148 H149 V162 R164A141-D145 VanDerWaalsContact O-CB 3.3Å; A141-D145 WeakPolarHBondContact O-CB 3.48Å; A141-D145 PolarHBondContact O-N 2.97Å; R142-D145 PolarHBondContact O-N 3.44Å; W143-D145 VanDerWaalsContact C-N 3.3Å; W143-D145 PolarHBondContact O-N 3.47Å; D145-Q148 WeakPolarHBondContact O-CG 3.21Å; D145-Q148 PolarHBondContact OD1-NE2 3.44Å; D145-H149 PolarHBondContact O-ND1 3.49Å; D145-H149 IonicContact OD1-CE1 3.11Å; D145-H149 PolarHBondContact OD1-CE1 2.89Å; D145-H149 IonicContact OD1-ND1 3.22Å; D145-H149 PolarHBondContact OD1-ND1 2.88Å; D145-V162 HydrophobicContact CB-CB 4.05Å; D145-V162 HydrophobicContact CB-CG1 4.33Å; D145-V162 HydrophobicContact CB-CG2 4.09Å; D145-R164 IonicContact OD2-CZ 3.39Å; D145-R164 IonicContact OD2-NE 3.19Å; D145-R164 PolarHBondContact OD2-NE 2.86Å; D145-R164 IonicContact OD2-NH2 2.72Å; D145-R164 PolarHBondContact OD2-NH2 2.99Å
146H96.9Very high95.4Very high75 Ų7548.8 Ų48.835%0.34725%0.248SC..Hα-helixtrans-66.8-47.3174.8-172.856.8000112Y105 R142 W143 F144 H149 H150Y105-H146 AromaticContact CE1-CD2 3.75Å; Y105-H146 AromaticContact CE1-NE2 3.74Å; Y105-H146 AromaticContact CZ-CD2 3.86Å; Y105-H146 AromaticContact CZ-NE2 3.37Å; Y105-H146 PolarHBondContact OH-NE2 3.47Å; R142-H146 WeakPolarHBondContact O-CB 3.38Å; R142-H146 PolarHBondContact O-N 3.41Å; W143-H146 WeakPolarHBondContact O-CA 3.34Å; W143-H146 WeakPolarHBondContact O-CB 3.22Å; W143-H146 PolarHBondContact O-N 3.09Å; F144-H146 VanDerWaalsContact C-N 3.29Å; F144-H146 PolarHBondContact O-N 2.95Å; H146-H149 PolarHBondContact O-N 3.04Å; H146-H150 PolarHBondContact O-N 3.37Å
147I98.1Very high95.7Very high0 Ų044.3 Ų44.30%023%0.227CC..Hα-helixtrans-68.8-40.3-178.4-55.2-47.7000111.9Y105 L111 D115 Y119 W143 F144 H149 H150 V153Y105-I147 HydrophobicContact CD1-CD1 3.87Å; Y105-I147 HydrophobicContact CE1-CD1 3.76Å; L111-I147 HydrophobicContact CD1-CD1 3.61Å; D115-I147 HydrophobicContact CB-CD1 4.11Å; Y119-I147 HydrophobicContact CD1-CG2 4.09Å; Y119-I147 HydrophobicContact CD2-CB 4.14Å; Y119-I147 HydrophobicContact CD2-CG2 3.98Å; Y119-I147 HydrophobicContact CG-CB 4.27Å; Y119-I147 HydrophobicContact CG-CG2 3.62Å; W143-I147 HydrophobicContact CD2-CG1 4.12Å; W143-I147 HydrophobicContact CG-CG1 4.25Å; W143-I147 HydrophobicContact CZ2-CG1 4.09Å; W143-I147 WeakPolarHBondContact O-CG1 3.45Å; W143-I147 PolarHBondContact O-N 3.16Å; F144-I147 PolarHBondContact O-N 3.33Å; I147-H149 PolarHBondContact O-N 3.37Å; I147-H150 VanDerWaalsContact O-CB 3.29Å; I147-H150 WeakPolarHBondContact O-CB 3.48Å; I147-H150 PolarHBondContact O-N 3.46Å; I147-V153 HydrophobicContact CG2-CG1 3.71Å
148Q97.2Very high95.7Very high3 Ų346.8 Ų46.81%0.01425%0.245CC..Hα-helixtrans-64.2-25.5-179.875.4174.8-33.700113.4Y119 F144 D145 R154 V160Y119-Q148 HydrophobicContact CE2-CB 3.7Å; Y119-Q148 WeakPolarHBondContact OH-CB 3.1Å; F144-Q148 WeakPolarHBondContact O-CB 3.48Å; F144-Q148 WeakPolarHBondContact O-CG 3.24Å; F144-Q148 PolarHBondContact O-N 2.91Å; D145-Q148 WeakPolarHBondContact O-CG 3.21Å; D145-Q148 PolarHBondContact OD1-NE2 3.44Å; Q148-R154 VanDerWaalsContact O-CB 3.3Å; Q148-R154 WeakPolarHBondContact O-CB 3.47Å; Q148-V160 PolarHBondContact NE2-O 3.06Å; Q148-V160 PolarHBondContact OE1-O 2.92Å
149H96.9Very high95.8Very high121 Ų12146.5 Ų46.556%0.5625%0.245SC*.THydrogen-bonded Turntrans-94.9-3.7176.8-68.3103.5000112.9D145 H146 I147D145-H149 PolarHBondContact O-ND1 3.49Å; D145-H149 IonicContact OD1-CE1 3.11Å; D145-H149 PolarHBondContact OD1-CE1 2.89Å; D145-H149 IonicContact OD1-ND1 3.22Å; D145-H149 PolarHBondContact OD1-ND1 2.88Å; H146-H149 PolarHBondContact O-N 3.04Å; I147-H149 PolarHBondContact O-N 3.37Å
150H97.4Very high95.7Very high52 Ų5245.5 Ų45.524%0.24124%0.239CC..SBendtrans-65129.7174.5-168.2-73.5000110.1H146 I147 G152 V153H146-H150 PolarHBondContact O-N 3.37Å; I147-H150 VanDerWaalsContact O-CB 3.29Å; I147-H150 WeakPolarHBondContact O-CB 3.48Å; I147-H150 PolarHBondContact O-N 3.46Å; H150-G152 PolarHBondContact O-N 3.03Å; H150-V153 HydrophobicContact CB-CB 4.23Å; H150-V153 HydrophobicContact CB-CG2 3.87Å; H150-V153 PolarHBondContact O-N 3.47Å; H150-V153 VanDerWaalsContact O-N 3.09Å
151P95.9Very high95.3Very high105 Ų10551 Ų5168%0.68227%0.273SS*.THydrogen-bonded Turntrans-50.9125.6-177.9-29.635.6000112.3V153P151-V153 VanDerWaalsContact C-N 3.26Å; P151-V153 PolarHBondContact O-N 3.02Å
152G95Very high94.9Very high41 Ų4151.7 Ų51.742%0.42328%0.276SS..THydrogen-bonded Turntrans70.46175.900000116.1Y13 H150 H155Y13-G152 VanDerWaalsContact CB-O 3.26Å; Y13-G152 WeakPolarHBondContact CB-O 3.44Å; Y13-G152 VanDerWaalsContact CD2-O 3.29Å; Y13-G152 WeakPolarHBondContact CD2-O 3.19Å; H150-G152 PolarHBondContact O-N 3.03Å; G152-H155 PolarHBondContact O-CD2 3.41Å; G152-H155 PolarHBondContact O-CE1 3.44Å; G152-H155 VanDerWaalsContact O-CE1 3.31Å; G152-H155 PolarHBondContact O-NE2 3.35Å
153V96.9Very high94.1Very high0 Ų051.2 Ų51.20%028%0.28CS..THydrogen-bonded Turntrans-85.3-48.9177.8174.40000111.5Y13 L111 V116 Y119 Y120 I147 H150 P151 H155Y13-V153 HydrophobicContact CD2-CG2 3.8Å; Y13-V153 HydrophobicContact CE1-CG2 4.48Å; Y13-V153 HydrophobicContact CE2-CG2 3.61Å; Y13-V153 HydrophobicContact CG-CG2 4.34Å; L111-V153 HydrophobicContact CD2-CG2 4.21Å; V116-V153 HydrophobicContact CG1-CG1 4.4Å; V116-V153 HydrophobicContact CG2-CG1 4.4Å; V116-V153 HydrophobicContact CG2-CG2 4.35Å; Y119-V153 HydrophobicContact CD1-CG1 3.9Å; Y119-V153 HydrophobicContact CE1-CG1 4.2Å; Y120-V153 WeakPolarHBondContact CE1-O 3.25Å; Y120-V153 PolarHBondContact OH-O 2.97Å; I147-V153 HydrophobicContact CG2-CG1 3.71Å; H150-V153 HydrophobicContact CB-CB 4.23Å; H150-V153 HydrophobicContact CB-CG2 3.87Å; H150-V153 PolarHBondContact O-N 3.47Å; H150-V153 VanDerWaalsContact O-N 3.09Å; P151-V153 VanDerWaalsContact C-N 3.26Å; P151-V153 PolarHBondContact O-N 3.02Å; V153-H155 VanDerWaalsContact C-N 3.35Å; V153-H155 PolarHBondContact O-CD2 3.21Å; V153-H155 PolarHBondContact O-N 3.06Å
154R95.7Very high92.7Very high85 Ų8560.7 Ų60.732%0.32132%0.316SS..SBendtrans-62.9-34.1-174.3177.6173.563.4126.32.3115.1Y119 Q148 H156 L157 P159Y119-R154 WeakPolarHBondContact OH-CG 3.33Å; Q148-R154 VanDerWaalsContact O-CB 3.3Å; Q148-R154 WeakPolarHBondContact O-CB 3.47Å; R154-H156 PolarHBondContact O-N 2.72Å; R154-L157 WeakPolarHBondContact CD-O 3.39Å; R154-L157 HydrophobicContact CG-CB 4.14Å; R154-L157 VanDerWaalsContact CG-O 3.25Å; R154-L157 WeakPolarHBondContact CG-O 3.46Å; R154-L157 WeakPolarHBondContact O-CB 3.23Å; R154-L157 PolarHBondContact O-N 2.75Å; R154-P159 VanDerWaalsContact NH1-CB 3.27Å
155H92.1Very high91.1Very high67 Ų6764.8 Ų64.831%0.3134%0.338SS..THydrogen-bonded Turntrans46.2-109.6-174-74.2-67.5000113.6S9 K12 Y13 G152 V153S9-H155 PolarHBondContact O-CD2 3.17Å; S9-H155 PolarHBondContact O-NE2 2.88Å; K12-H155 WeakPolarHBondContact CB-CE1 3.29Å; Y13-H155 WeakPolarHBondContact CA-NE2 3.19Å; Y13-H155 PolarHBondContact N-NE2 3.27Å; G152-H155 PolarHBondContact O-CD2 3.41Å; G152-H155 PolarHBondContact O-CE1 3.44Å; G152-H155 VanDerWaalsContact O-CE1 3.31Å; G152-H155 PolarHBondContact O-NE2 3.35Å; V153-H155 VanDerWaalsContact C-N 3.35Å; V153-H155 PolarHBondContact O-CD2 3.21Å; V153-H155 PolarHBondContact O-N 3.06Å
156H90.4Very high89.3Confident110 Ų11075.9 Ų75.951%0.50938%0.379SS..THydrogen-bonded Turntrans-97.1-2.2-172.667.968.2000112.9S9 R154S9-H156 PolarHBondContact OG-CD2 3.48Å; S9-H156 VanDerWaalsContact OG-CD2 3.3Å; S9-H156 PolarHBondContact OG-NE2 3.16Å; S9-H156 VanDerWaalsContact OG-NE2 3.14Å; R154-H156 PolarHBondContact O-N 2.72Å
157L95.3Very high87Confident30 Ų3077.9 Ų77.916%0.15739%0.392CS..SBendtrans-72.1137.2-179.2-67172.6000109.8Y119 Y120 H123 R154Y119-L157 HydrophobicContact CE1-CD1 3.79Å; Y120-L157 HydrophobicContact CD1-CD1 3.49Å; Y120-L157 VanDerWaalsContact CD1-CD1 3.49Å; Y120-L157 HydrophobicContact CE1-CD1 3.9Å; H123-L157 HydrophobicContact CB-CD1 4.23Å; R154-L157 WeakPolarHBondContact CD-O 3.39Å; R154-L157 HydrophobicContact CG-CB 4.14Å; R154-L157 VanDerWaalsContact CG-O 3.25Å; R154-L157 WeakPolarHBondContact CG-O 3.46Å; R154-L157 WeakPolarHBondContact O-CB 3.23Å; R154-L157 PolarHBondContact O-N 2.75Å
158P95.5Very high84.4Confident63 Ų6387.9 Ų87.941%0.40943%0.431SS..PPolyproline II helixtrans-64.4141.8179.825.5-31000110H123 L127H123-P158 PolarHBondContact NE2-O 2.96Å; L127-P158 HydrophobicContact CD2-CG 4.13Å
159P94.8Very high82Confident79 Ų7993.3 Ų93.351%0.51346%0.464SS..PPolyproline II helixtrans-62.5138.1173.124.2-26.1000109.4R154R154-P159 VanDerWaalsContact NH1-CB 3.27Å
160V93.2Very high79.4Confident6 Ų693.3 Ų93.34%0.03648%0.478CS..PPolyproline II helixtrans-101.9125.3171.1-173.80000108.1I126 L127 F144 Q148 V162I126-V160 HydrophobicContact CG2-CG1 4.15Å; L127-V160 HydrophobicContact CB-CG2 4.22Å; L127-V160 HydrophobicContact CD1-CG2 3.94Å; F144-V160 HydrophobicContact CE1-CB 3.8Å; F144-V160 HydrophobicContact CE1-CG2 3.67Å; F144-V160 HydrophobicContact CZ-CG2 3.98Å; Q148-V160 PolarHBondContact NE2-O 3.06Å; Q148-V160 PolarHBondContact OE1-O 2.92Å; V160-V162 PolarHBondContact O-N 3.49Å
161V89.6Confident76.9Confident116 Ų116100.4 Ų100.470%0.70350%0.503SS*.PPolyproline II helixtrans-70.7119.5174.2-179.80000108.7L163V161-L163 HydrophobicContact CG1-CD2 4.42Å
162V84.7Confident74.3Confident23 Ų23103.6 Ų103.614%0.13951%0.508CS..  trans-110.4116.5171.6176.30000107.8A141 D145 V160 R164A141-V162 HydrophobicContact CB-CG1 3.78Å; D145-V162 HydrophobicContact CB-CB 4.05Å; D145-V162 HydrophobicContact CB-CG1 4.33Å; D145-V162 HydrophobicContact CB-CG2 4.09Å; V160-V162 PolarHBondContact O-N 3.49Å; V162-R164 PolarHBondContact O-N 3.37Å
163L80.1Confident71.6Confident87 Ų87114.3 Ų114.346%0.45555%0.546SS..  trans-72.4121176.8-66.3-177.6000109.6V131 V161 N165V131-L163 HydrophobicContact CG1-CD1 3.38Å; V131-L163 HydrophobicContact CG1-CG 4.18Å; V161-L163 HydrophobicContact CG1-CD2 4.42Å; L163-N165 PolarHBondContact O-N 2.83Å
164R67.8Low70.3Confident199 Ų199120 Ų12075%0.75157%0.574SS**  trans-85.257.3172.3-62.6-176.7-178.3-179.80.6109.8D145 V162 R166D145-R164 IonicContact OD2-CZ 3.39Å; D145-R164 IonicContact OD2-NE 3.19Å; D145-R164 PolarHBondContact OD2-NE 2.86Å; D145-R164 IonicContact OD2-NH2 2.72Å; D145-R164 PolarHBondContact OD2-NH2 2.99Å; V162-R164 PolarHBondContact O-N 3.37Å; R164-R166 PolarHBondContact O-N 2.91Å
165N64.4Low69Low86 Ų86121.8 Ų121.846%0.4659%0.587SS.*  trans-78.7108.7175.9-68.2-22.4000108.5E135 L163 L167E135-N165 PolarHBondContact OE1-ND2 3.03Å; E135-N165 VanDerWaalsContact OE1-ND2 3.16Å; L163-N165 PolarHBondContact O-N 2.83Å; N165-L167 HydrophobicContact CB-CD2 4.35Å; N165-L167 HydrophobicContact CB-CG 3.93Å; N165-L167 PolarHBondContact O-N 2.81Å
166R57.5Low67.7Low246 Ų246124.9 Ų124.993%0.92860%0.602SS**  trans-72.276.1154.2-74.4-173.6178.4-174.30106.7R164 Y168R164-R166 PolarHBondContact O-N 2.91Å; R166-Y168 VanDerWaalsContact C-N 3.31Å; R166-Y168 PolarHBondContact O-N 2.96Å
167L48.5Very low66.4Low117 Ų117125.8 Ų125.861%0.61361%0.608SS**  trans-65.4103.7165.8-68.1174.5000105.5N165N165-L167 HydrophobicContact CB-CD2 4.35Å; N165-L167 HydrophobicContact CB-CG 3.93Å; N165-L167 PolarHBondContact O-N 2.81Å
168Y44.6Very low64.5Low209 Ų209131.8 Ų131.882%0.8264%0.636SS**  trans25.2115.3172.5-60.3-84.9000115.9R166 S170R166-Y168 VanDerWaalsContact C-N 3.31Å; R166-Y168 PolarHBondContact O-N 2.96Å; Y168-S170 PolarHBondContact O-N 3.18Å
169T45.3Very low62.5Low118 Ų118136.3 Ų136.372%0.72465%0.651SS**  trans-43.6119.6154.348.50000107.1R171T169-R171 PolarHBondContact O-N 3.35Å
170S43.4Very low60.2Low120 Ų120140.4 Ų140.484%0.83966%0.661SS**  trans-59.385.1170.749.80000108.4Y168Y168-S170 PolarHBondContact O-N 3.18Å
171R45.3Very low57.6Low202 Ų202150.8 Ų150.876%0.76271%0.709SS**  trans-80.8115.8142.2-66.3-175.7173.8-175.4-2.2102.1T169T169-R171 PolarHBondContact O-N 3.35Å
172H41.1Very low55Low171 Ų171153.7 Ų153.779%0.79271%0.71SS**  -158.2147.459.2-77.1-85.6000111.2
173H37.2Very low52.3Low266 Ų266165.5 Ų165.5100%1.23176%0.761SS**  trans-59.90154.4-80.9-68.1000111.2

Retrieved 173 of 173 residues in 326.7 ms (Link to these results)

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