A0A096LNQ4_HUMAN Loading...

Cdc42 guanine nucleotide exchange factor 9

AlphaFold DB , UniProt , Accession A0A096LNQ4, Species HUMAN (Homo sapiens, Human), Gene ARHGEF9, Length 108 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
1M81.4Confident94.7Very high195 Ų19575.3 Ų75.396%0.96139%0.388SS*.  0-60.30-163.9177.2-78.500111.5A3 N4 V5M1-A3 PolarHBondContact O-N 3.5Å; M1-N4 WeakPolarHBondContact O-CB 3.5Å; M1-N4 PolarHBondContact O-N 3.07Å; M1-N4 VanDerWaalsContact O-N 3.13Å; M1-V5 PolarHBondContact O-N 3.31Å
2R93.2Very high95Very high122 Ų12274.8 Ų74.846%0.4639%0.391SS..Hα-helixtrans-55-47179-170.1179.5-171.8-86.3-3.5114.3N4 V5 I6 H74 S76R2-N4 VanDerWaalsContact C-N 3.28Å; R2-N4 PolarHBondContact O-N 3.24Å; R2-V5 PolarHBondContact O-N 2.98Å; R2-I6 HydrophobicContact CG-CD1 3.81Å; R2-I6 WeakPolarHBondContact O-CG1 3.4Å; R2-I6 PolarHBondContact O-N 3.45Å; R2-H74 HydrophobicContact CB-CB 4.47Å; R2-H74 WeakPolarHBondContact CD-O 3.29Å; R2-H74 PolarHBondContact NH1-O 3.48Å; R2-S76 VanDerWaalsContact CZ-O 3.27Å; R2-S76 PolarHBondContact NH1-O 3.48Å; R2-S76 PolarHBondContact NH2-O 3.38Å
3A94.3Very high95.2Very high23 Ų2371.6 Ų71.619%0.1937%0.373CS..Hα-helixtrans-55.2-41.7176.200000113M1 V5 I6 N7 P73 H74M1-A3 PolarHBondContact O-N 3.5Å; A3-V5 PolarHBondContact O-N 2.93Å; A3-I6 PolarHBondContact O-N 3.42Å; A3-N7 WeakPolarHBondContact O-CB 3.25Å; A3-N7 PolarHBondContact O-N 3.47Å; A3-N7 PolarHBondContact O-ND2 2.84Å; A3-N7 PolarHBondContact O-OD1 2.81Å; A3-P73 HydrophobicContact CB-CB 4.02Å; A3-H74 HydrophobicContact CB-CB 4.11Å
4N95.4Very high95.4Very high116 Ų11675.4 Ų75.462%0.6238%0.38SS*.Hα-helixtrans-64.8-43.4-178.8-60.83.9000111.2M1 R2 N7 E8M1-N4 WeakPolarHBondContact O-CB 3.5Å; M1-N4 PolarHBondContact O-N 3.07Å; M1-N4 VanDerWaalsContact O-N 3.13Å; R2-N4 VanDerWaalsContact C-N 3.28Å; R2-N4 PolarHBondContact O-N 3.24Å; N4-N7 PolarHBondContact O-N 2.77Å; N4-E8 WeakPolarHBondContact O-CB 2.96Å; N4-E8 PolarHBondContact O-N 2.92Å
5V96.1Very high95.6Very high74 Ų7477.3 Ų77.345%0.44839%0.386SS..Hα-helixtrans-63.2-43.7177.6177.10000110.8M1 R2 A3 E8 I9M1-V5 PolarHBondContact O-N 3.31Å; R2-V5 PolarHBondContact O-N 2.98Å; A3-V5 PolarHBondContact O-N 2.93Å; V5-E8 PolarHBondContact O-N 3.33Å; V5-I9 HydrophobicContact CG1-CD1 4.02Å; V5-I9 WeakPolarHBondContact O-CG1 3.41Å; V5-I9 PolarHBondContact O-N 3.34Å
6I96.2Very high95.8Very high6 Ų677 Ų773%0.03138%0.38CS..Hα-helixtrans-64.2-45.6178.7-68.1168.4000110.4R2 A3 E8 I9 M10 Y68 P73 I78R2-I6 HydrophobicContact CG-CD1 3.81Å; R2-I6 WeakPolarHBondContact O-CG1 3.4Å; R2-I6 PolarHBondContact O-N 3.45Å; A3-I6 PolarHBondContact O-N 3.42Å; I6-E8 VanDerWaalsContact C-N 3.3Å; I6-E8 PolarHBondContact O-N 2.96Å; I6-I9 PolarHBondContact O-N 3.15Å; I6-M10 HydrophobicContact CG2-CG 4.48Å; I6-M10 WeakPolarHBondContact O-CG 3.12Å; I6-M10 PolarHBondContact O-N 2.91Å; I6-Y68 HydrophobicContact CG2-CD2 3.73Å; I6-Y68 HydrophobicContact CG2-CE2 3.78Å; I6-P73 WeakPolarHBondContact CD1-O 3.34Å; I6-I78 HydrophobicContact CG1-CD1 4.14Å
7N96.1Very high95.9Very high61 Ų6174.4 Ų74.433%0.32637%0.367SS..Hα-helixtrans-62.4-39.2177.4-70-10.2000112.1A3 N4 M10 S11 Y68 P73A3-N7 WeakPolarHBondContact O-CB 3.25Å; A3-N7 PolarHBondContact O-N 3.47Å; A3-N7 PolarHBondContact O-ND2 2.84Å; A3-N7 PolarHBondContact O-OD1 2.81Å; N4-N7 PolarHBondContact O-N 2.77Å; N7-M10 PolarHBondContact O-N 3.12Å; N7-S11 VanDerWaalsContact O-CB 3.27Å; N7-S11 WeakPolarHBondContact O-CB 3.09Å; N7-S11 PolarHBondContact O-N 3.12Å; N7-Y68 WeakPolarHBondContact OD1-CE2 3.47Å; N7-Y68 PolarHBondContact OD1-OH 3.1Å; N7-P73 WeakPolarHBondContact OD1-CB 3.5Å
8E97.8Very high96Very high128 Ų12877.3 Ų77.360%0.59838%0.378SS*.Hα-helixtrans-61.1-51.1175-175.5175.4-170.900110.5N4 V5 I6 M10 S11 T12N4-E8 WeakPolarHBondContact O-CB 2.96Å; N4-E8 PolarHBondContact O-N 2.92Å; V5-E8 PolarHBondContact O-N 3.33Å; I6-E8 VanDerWaalsContact C-N 3.3Å; I6-E8 PolarHBondContact O-N 2.96Å; E8-M10 PolarHBondContact O-N 3.15Å; E8-S11 PolarHBondContact O-N 3.45Å; E8-S11 VanDerWaalsContact O-N 3.14Å; E8-T12 HydrophobicContact CG-CG2 4.21Å; E8-T12 WeakPolarHBondContact O-CG2 3.39Å; E8-T12 PolarHBondContact O-N 3.02Å; E8-T12 PolarHBondContact O-OG1 3.23Å
9I97.2Very high96.1Very high44 Ų4478.7 Ų78.723%0.22638%0.383CS..Hα-helixtrans-55-50.8175.9-68.1166.3000110.6V5 I6 S11 T12 E13 L64 I78 F82V5-I9 HydrophobicContact CG1-CD1 4.02Å; V5-I9 WeakPolarHBondContact O-CG1 3.41Å; V5-I9 PolarHBondContact O-N 3.34Å; I6-I9 PolarHBondContact O-N 3.15Å; I9-S11 VanDerWaalsContact C-N 3.28Å; I9-S11 PolarHBondContact O-N 3.33Å; I9-T12 PolarHBondContact O-N 3.45Å; I9-T12 PolarHBondContact O-OG1 2.87Å; I9-T12 VanDerWaalsContact O-OG1 3.06Å; I9-E13 HydrophobicContact CG2-CG 4.18Å; I9-E13 VanDerWaalsContact O-CB 3.26Å; I9-E13 WeakPolarHBondContact O-CB 3.37Å; I9-E13 WeakPolarHBondContact O-CG 3.25Å; I9-E13 PolarHBondContact O-N 3.23Å; I9-L64 HydrophobicContact CG2-CD2 4.04Å; I9-I78 HydrophobicContact CD1-CD1 3.79Å; I9-I78 HydrophobicContact CG2-CD1 4.44Å; I9-F82 HydrophobicContact CG2-CZ 4.5Å
10M96.9Very high96.3Very high5 Ų575 Ų753%0.02537%0.365CS..Hα-helixtrans-59.4-41.1179.6-65.4-51.1-65.100112.2I6 N7 E8 R14 L64 E65 Y68I6-M10 HydrophobicContact CG2-CG 4.48Å; I6-M10 WeakPolarHBondContact O-CG 3.12Å; I6-M10 PolarHBondContact O-N 2.91Å; N7-M10 PolarHBondContact O-N 3.12Å; E8-M10 PolarHBondContact O-N 3.15Å; M10-R14 WeakPolarHBondContact O-CD 3.46Å; M10-R14 VanDerWaalsContact O-CG 3.27Å; M10-R14 WeakPolarHBondContact O-CG 3.4Å; M10-R14 PolarHBondContact O-N 3.12Å; M10-L64 HydrophobicContact CE-CD2 4.44Å; M10-L64 HydrophobicContact CE-CG 4.37Å; M10-L64 HydrophobicContact SD-CD2 3.63Å; M10-L64 HydrophobicContact SD-CG 3.67Å; M10-E65 HydrophobicContact CE-CB 4.14Å; M10-E65 HydrophobicContact CE-CG 3.35Å; M10-Y68 HydrophobicContact CE-CG 4.29Å; M10-Y68 HydrophobicContact CG-CD2 3.61Å; M10-Y68 HydrophobicContact CG-CE2 3.95Å; M10-Y68 HydrophobicContact CG-CG 4.12Å; M10-Y68 HydrophobicContact SD-CD2 4.24Å; M10-Y68 HydrophobicContact SD-CG 4.4Å
11S97.1Very high96.4Very high54 Ų5475.3 Ų75.338%0.37837%0.365SS..Hα-helixtrans-67.5-50.9179.5-1770000111.4N7 E8 I9 E13 R14 H15N7-S11 VanDerWaalsContact O-CB 3.27Å; N7-S11 WeakPolarHBondContact O-CB 3.09Å; N7-S11 PolarHBondContact O-N 3.12Å; E8-S11 PolarHBondContact O-N 3.45Å; E8-S11 VanDerWaalsContact O-N 3.14Å; I9-S11 VanDerWaalsContact C-N 3.28Å; I9-S11 PolarHBondContact O-N 3.33Å; S11-E13 VanDerWaalsContact C-N 3.27Å; S11-E13 PolarHBondContact O-N 2.99Å; S11-R14 PolarHBondContact O-N 2.95Å; S11-H15 PolarHBondContact O-N 2.82Å; S11-H15 PolarHBondContact O-ND1 2.69Å; S11-H15 PolarHBondContact OG-CE1 2.91Å; S11-H15 PolarHBondContact OG-ND1 3.02Å
12T98.2Very high97.2Very high70 Ų7069.6 Ų69.643%0.42934%0.338SS..Hα-helixtrans-63.1-37.9-177.953.90000111.1E8 I9 H15 Y16E8-T12 HydrophobicContact CG-CG2 4.21Å; E8-T12 WeakPolarHBondContact O-CG2 3.39Å; E8-T12 PolarHBondContact O-N 3.02Å; E8-T12 PolarHBondContact O-OG1 3.23Å; I9-T12 PolarHBondContact O-N 3.45Å; I9-T12 PolarHBondContact O-OG1 2.87Å; I9-T12 VanDerWaalsContact O-OG1 3.06Å; T12-H15 PolarHBondContact O-N 3.01Å; T12-Y16 WeakPolarHBondContact O-CB 3.46Å; T12-Y16 PolarHBondContact O-N 3.28Å
13E98Very high97.4Very high33 Ų3366.4 Ų66.415%0.15433%0.329CS..Hα-helixtrans-66.1-40.6178-72.8-58.3168.600113.3I9 S11 H15 Y16 I17 Q57 F60 V61 L64I9-E13 HydrophobicContact CG2-CG 4.18Å; I9-E13 VanDerWaalsContact O-CB 3.26Å; I9-E13 WeakPolarHBondContact O-CB 3.37Å; I9-E13 WeakPolarHBondContact O-CG 3.25Å; I9-E13 PolarHBondContact O-N 3.23Å; S11-E13 VanDerWaalsContact C-N 3.27Å; S11-E13 PolarHBondContact O-N 2.99Å; E13-H15 PolarHBondContact O-N 3.18Å; E13-Y16 PolarHBondContact O-N 3.36Å; E13-I17 PolarHBondContact O-N 3.25Å; E13-Q57 PolarHBondContact OE2-NE2 2.74Å; E13-F60 HydrophobicContact CG-CE1 4.46Å; E13-V61 HydrophobicContact CB-CG2 3.81Å; E13-L64 HydrophobicContact CG-CD2 4.17Å
14R97.6Very high97.6Very high124 Ų12465.7 Ų65.747%0.46832%0.323SS..Hα-helixtrans-63.5-41.2173.1-73.4170.5176.6164.33.4112.1M10 S11 Y16 K18 E65M10-R14 WeakPolarHBondContact O-CD 3.46Å; M10-R14 VanDerWaalsContact O-CG 3.27Å; M10-R14 WeakPolarHBondContact O-CG 3.4Å; M10-R14 PolarHBondContact O-N 3.12Å; S11-R14 PolarHBondContact O-N 2.95Å; R14-Y16 VanDerWaalsContact C-N 3.35Å; R14-K18 PolarHBondContact O-N 2.92Å; R14-E65 IonicContact CZ-OE1 2.72Å; R14-E65 VanDerWaalsContact CZ-OE1 3.24Å; R14-E65 IonicContact NE-OE1 3.76Å; R14-E65 PolarHBondContact NE-OE1 3.28Å; R14-E65 IonicContact NH2-OE1 3.69Å; R14-E65 PolarHBondContact NH2-OE1 3.49Å
15H98.3Very high97.6Very high104 Ų10464.6 Ų64.648%0.48131%0.314SS..Hα-helixtrans-65-41.7175.8-73.595.2000111.3S11 T12 E13 I17 K18 H19S11-H15 PolarHBondContact O-N 2.82Å; S11-H15 PolarHBondContact O-ND1 2.69Å; S11-H15 PolarHBondContact OG-CE1 2.91Å; S11-H15 PolarHBondContact OG-ND1 3.02Å; T12-H15 PolarHBondContact O-N 3.01Å; E13-H15 PolarHBondContact O-N 3.18Å; H15-I17 PolarHBondContact O-N 3.2Å; H15-K18 WeakPolarHBondContact O-CB 3.5Å; H15-K18 PolarHBondContact O-N 3.22Å; H15-K18 VanDerWaalsContact O-N 3.12Å; H15-H19 PolarHBondContact O-CD2 3.25Å; H15-H19 VanDerWaalsContact O-CD2 3.25Å; H15-H19 PolarHBondContact O-N 3.5Å
16Y98.3Very high97.7Very high73 Ų7363 Ų6329%0.28631%0.313SS..Hα-helixtrans-62.6-44.2178.8179.8-126.8000112.2T12 E13 R14 K18 H19 L20 Q57 Y92T12-Y16 WeakPolarHBondContact O-CB 3.46Å; T12-Y16 PolarHBondContact O-N 3.28Å; E13-Y16 PolarHBondContact O-N 3.36Å; R14-Y16 VanDerWaalsContact C-N 3.35Å; Y16-K18 VanDerWaalsContact C-N 3.27Å; Y16-K18 PolarHBondContact O-N 2.96Å; Y16-H19 WeakPolarHBondContact O-CB 3.46Å; Y16-H19 PolarHBondContact O-N 2.97Å; Y16-H19 VanDerWaalsContact O-N 3.12Å; Y16-L20 HydrophobicContact CD1-CD1 4.09Å; Y16-L20 HydrophobicContact CD2-CG 4.36Å; Y16-L20 HydrophobicContact CE1-CD1 3.64Å; Y16-L20 HydrophobicContact CE1-CG 4.38Å; Y16-L20 HydrophobicContact CE2-CD1 4.13Å; Y16-L20 HydrophobicContact CE2-CD2 4.04Å; Y16-L20 HydrophobicContact CE2-CG 3.96Å; Y16-L20 HydrophobicContact CG-CD1 4.5Å; Y16-L20 WeakPolarHBondContact O-CG 3.43Å; Y16-L20 PolarHBondContact O-N 3.39Å; Y16-Q57 HydrophobicContact CD1-CG 3.71Å; Y16-Q57 HydrophobicContact CE1-CG 3.77Å; Y16-Y92 VanDerWaalsContact CE1-OH 3.29Å; Y16-Y92 WeakPolarHBondContact CE1-OH 3.26Å; Y16-Y92 VanDerWaalsContact OH-CE1 3.28Å; Y16-Y92 WeakPolarHBondContact OH-CE1 3.31Å; Y16-Y92 PolarHBondContact OH-OH 3Å
17I98.2Very high97.7Very high32 Ų3270.1 Ų70.116%0.16434%0.341CS..Hα-helixtrans-56.4-41.4171.5-80.5-173.5000112.2E13 H15 H19 L20 K21 Y54 Q57 M58 V61E13-I17 PolarHBondContact O-N 3.25Å; H15-I17 PolarHBondContact O-N 3.2Å; I17-H19 VanDerWaalsContact C-N 3.34Å; I17-L20 PolarHBondContact O-N 3.42Å; I17-K21 WeakPolarHBondContact O-CB 3.32Å; I17-K21 PolarHBondContact O-N 3.43Å; I17-Y54 HydrophobicContact CG2-CE2 4.16Å; I17-Q57 HydrophobicContact CD1-CG 4.3Å; I17-Q57 HydrophobicContact CG1-CB 4.17Å; I17-Q57 HydrophobicContact CG1-CG 3.68Å; I17-M58 HydrophobicContact CD1-CG 4.42Å; I17-V61 HydrophobicContact CD1-CB 3.44Å; I17-V61 VanDerWaalsContact CD1-CB 3.44Å; I17-V61 HydrophobicContact CD1-CG1 3.93Å; I17-V61 HydrophobicContact CD1-CG2 3.38Å; I17-V61 HydrophobicContact CG1-CG2 4.02Å
18K98Very high97.8Very high127 Ų12767.4 Ų67.455%0.55233%0.326SS*.Hα-helixtrans-61.9-44.3177.6-176-178.8175-175.40110.9R14 H15 Y16 L20 K21 D22R14-K18 PolarHBondContact O-N 2.92Å; H15-K18 WeakPolarHBondContact O-CB 3.5Å; H15-K18 PolarHBondContact O-N 3.22Å; H15-K18 VanDerWaalsContact O-N 3.12Å; Y16-K18 VanDerWaalsContact C-N 3.27Å; Y16-K18 PolarHBondContact O-N 2.96Å; K18-L20 PolarHBondContact O-N 3.49Å; K18-K21 WeakPolarHBondContact O-CB 3.41Å; K18-K21 PolarHBondContact O-N 2.99Å; K18-D22 VanDerWaalsContact O-CG 3.24Å; K18-D22 PolarHBondContact O-N 2.87Å
19H98.5Very high97.7Very high105 Ų10566.9 Ų66.949%0.48632%0.322SS..Hα-helixtrans-61.5-44.7176.1-63.6-40.4000112.4H15 Y16 I17 K21 D22 I23H15-H19 PolarHBondContact O-CD2 3.25Å; H15-H19 VanDerWaalsContact O-CD2 3.25Å; H15-H19 PolarHBondContact O-N 3.5Å; Y16-H19 WeakPolarHBondContact O-CB 3.46Å; Y16-H19 PolarHBondContact O-N 2.97Å; Y16-H19 VanDerWaalsContact O-N 3.12Å; I17-H19 VanDerWaalsContact C-N 3.34Å; H19-K21 VanDerWaalsContact C-N 3.31Å; H19-K21 PolarHBondContact O-N 2.69Å; H19-D22 PolarHBondContact O-N 2.94Å; H19-I23 VanDerWaalsContact O-CG1 3.3Å; H19-I23 WeakPolarHBondContact O-CG1 3.41Å; H19-I23 PolarHBondContact O-N 3.46Å
20L98.6Very high97.7Very high3 Ų369 Ų692%0.01633%0.331CS..Hα-helixtrans-60.4-41.6176.2-68.5173.3000112.1Y16 I17 K18 I23 C24 I50 I53 Y54 Q57Y16-L20 HydrophobicContact CD1-CD1 4.09Å; Y16-L20 HydrophobicContact CD2-CG 4.36Å; Y16-L20 HydrophobicContact CE1-CD1 3.64Å; Y16-L20 HydrophobicContact CE1-CG 4.38Å; Y16-L20 HydrophobicContact CE2-CD1 4.13Å; Y16-L20 HydrophobicContact CE2-CD2 4.04Å; Y16-L20 HydrophobicContact CE2-CG 3.96Å; Y16-L20 HydrophobicContact CG-CD1 4.5Å; Y16-L20 WeakPolarHBondContact O-CG 3.43Å; Y16-L20 PolarHBondContact O-N 3.39Å; I17-L20 PolarHBondContact O-N 3.42Å; K18-L20 PolarHBondContact O-N 3.49Å; L20-I23 PolarHBondContact O-N 3.01Å; L20-C24 WeakPolarHBondContact O-CB 3.42Å; L20-C24 PolarHBondContact O-N 2.98Å; L20-C24 PolarHBondContact O-SG 3.17Å; L20-I50 HydrophobicContact CD2-CD1 3.43Å; L20-I50 VanDerWaalsContact CD2-CD1 3.43Å; L20-I50 HydrophobicContact CD2-CG1 4.14Å; L20-I53 HydrophobicContact CD1-CG2 3.93Å; L20-I53 HydrophobicContact CD2-CG2 3.82Å; L20-Y54 HydrophobicContact CB-CD2 3.48Å; L20-Y54 VanDerWaalsContact CB-CD2 3.48Å; L20-Y54 HydrophobicContact CB-CE2 4.26Å; L20-Y54 HydrophobicContact CB-CG 4.05Å; L20-Y54 HydrophobicContact CD1-CD2 4.34Å; L20-Q57 HydrophobicContact CD1-CB 3.75Å; L20-Q57 HydrophobicContact CD1-CG 4Å
21K98.2Very high97.6Very high83 Ų8369.7 Ų69.736%0.36134%0.336SS..Hα-helixtrans-61.5-48.1174.7-174.8-179.6178.4-179.50111.6I17 K18 H19 I23 C24 E25 Y54I17-K21 WeakPolarHBondContact O-CB 3.32Å; I17-K21 PolarHBondContact O-N 3.43Å; K18-K21 WeakPolarHBondContact O-CB 3.41Å; K18-K21 PolarHBondContact O-N 2.99Å; H19-K21 VanDerWaalsContact C-N 3.31Å; H19-K21 PolarHBondContact O-N 2.69Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.14Å; K21-C24 PolarHBondContact O-N 2.81Å; K21-E25 VanDerWaalsContact CE-OE1 3.25Å; K21-E25 WeakPolarHBondContact CE-OE1 3.41Å; K21-E25 WeakPolarHBondContact CE-OE2 3.23Å; K21-E25 HydrophobicContact CG-CG 4.14Å; K21-E25 IonicContact NZ-OE2 3.02Å; K21-E25 WeakPolarHBondContact O-CB 3.48Å; K21-E25 PolarHBondContact O-N 3.44Å; K21-Y54 HydrophobicContact CB-CE1 4.47Å; K21-Y54 HydrophobicContact CB-CE2 3.88Å; K21-Y54 WeakPolarHBondContact CB-OH 3.5Å; K21-Y54 WeakPolarHBondContact CG-OH 3.28Å
22D98.4Very high97.6Very high75 Ų7572.4 Ų72.440%0.40134%0.338SS..Iπ-helixtrans-61.1-37.6-179.9-68.6-19.5000110.8K18 H19 G26 Y27K18-D22 VanDerWaalsContact O-CG 3.24Å; K18-D22 PolarHBondContact O-N 2.87Å; H19-D22 PolarHBondContact O-N 2.94Å; D22-G26 WeakPolarHBondContact O-CA 3.37Å; D22-G26 PolarHBondContact O-N 3.25Å; D22-Y27 PolarHBondContact O-N 2.82Å
23I98.3Very high97.4Very high54 Ų5475.2 Ų75.228%0.27734%0.344SS..Iπ-helixtrans-64.1-51.3173.1-66.7164.3000111.1H19 L20 K21 Y27 L28 F47 I50H19-I23 VanDerWaalsContact O-CG1 3.3Å; H19-I23 WeakPolarHBondContact O-CG1 3.41Å; H19-I23 PolarHBondContact O-N 3.46Å; L20-I23 PolarHBondContact O-N 3.01Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.14Å; I23-Y27 WeakPolarHBondContact O-CB 3.35Å; I23-Y27 PolarHBondContact O-N 2.78Å; I23-Y27 VanDerWaalsContact O-N 3.15Å; I23-L28 PolarHBondContact O-N 3.36Å; I23-F47 HydrophobicContact CG2-CD1 3.94Å; I23-F47 HydrophobicContact CG2-CE1 4.03Å; I23-I50 HydrophobicContact CG2-CG1 4.04Å; I23-I50 HydrophobicContact CG2-CG2 4.4Å
24C98.1Very high97.2Very high9 Ų979.2 Ų79.26%0.06136%0.358CS..Iπ-helixtrans-67-47.7-175.9-66.70000112.5L20 K21 K29 Y54L20-C24 WeakPolarHBondContact O-CB 3.42Å; L20-C24 PolarHBondContact O-N 2.98Å; L20-C24 PolarHBondContact O-SG 3.17Å; K21-C24 PolarHBondContact O-N 2.81Å; C24-K29 WeakPolarHBondContact O-CB 3.44Å; C24-K29 PolarHBondContact O-N 2.88Å; C24-Y54 HydrophobicContact CB-CD1 4.29Å
25E96.2Very high96.8Very high93 Ų9382.2 Ų82.244%0.43537%0.369SS..Iπ-helixtrans-88.1-37-174.4-63.7-172.4175.400113.1K21 Q30K21-E25 VanDerWaalsContact CE-OE1 3.25Å; K21-E25 WeakPolarHBondContact CE-OE1 3.41Å; K21-E25 WeakPolarHBondContact CE-OE2 3.23Å; K21-E25 HydrophobicContact CG-CG 4.14Å; K21-E25 IonicContact NZ-OE2 3.02Å; K21-E25 WeakPolarHBondContact O-CB 3.48Å; K21-E25 PolarHBondContact O-N 3.44Å; E25-Q30 PolarHBondContact O-NE2 3.06Å
26G96.7Very high96.5Very high41 Ų4182.9 Ų82.942%0.42338%0.376SS..Iπ-helixtrans-82.6-38-176.200000113D22 Q30D22-G26 WeakPolarHBondContact O-CA 3.37Å; D22-G26 PolarHBondContact O-N 3.25Å; G26-Q30 WeakPolarHBondContact O-CG 3.18Å
27Y97.3Very high96.3Very high154 Ų15484.1 Ų84.160%0.60439%0.386SS*.Iπ-helixtrans-107.3-69-177.9-65.7-89.2000112D22 I23 K29 Q30 C31D22-Y27 PolarHBondContact O-N 2.82Å; I23-Y27 WeakPolarHBondContact O-CB 3.35Å; I23-Y27 PolarHBondContact O-N 2.78Å; I23-Y27 VanDerWaalsContact O-N 3.15Å; Y27-K29 VanDerWaalsContact C-N 3.34Å; Y27-K29 PolarHBondContact O-N 3.32Å; Y27-Q30 WeakPolarHBondContact O-CA 3.48Å; Y27-Q30 PolarHBondContact O-N 3Å; Y27-C31 PolarHBondContact O-N 3.12Å; Y27-C31 PolarHBondContact O-SG 3.2Å; Y27-C31 VanDerWaalsContact O-SG 3.34Å
28L97.4Very high96.1Very high4 Ų485.3 Ų85.32%0.02139%0.39CS..Iπ-helixtrans-55.1-47.4-171173.759.3000112.3I23 Q30 C31 R32 F47 I50 E51I23-L28 PolarHBondContact O-N 3.36Å; L28-Q30 VanDerWaalsContact C-N 3.28Å; L28-Q30 PolarHBondContact O-N 2.96Å; L28-C31 PolarHBondContact O-N 3.44Å; L28-R32 HydrophobicContact CD1-CG 4.16Å; L28-R32 WeakPolarHBondContact O-CB 3.45Å; L28-R32 WeakPolarHBondContact O-CG 3.47Å; L28-R32 PolarHBondContact O-N 3.5Å; L28-F47 HydrophobicContact CB-CD1 4.04Å; L28-F47 HydrophobicContact CB-CD2 4.36Å; L28-F47 HydrophobicContact CB-CE1 4.03Å; L28-F47 HydrophobicContact CB-CE2 4.35Å; L28-F47 HydrophobicContact CB-CG 4.21Å; L28-F47 HydrophobicContact CB-CZ 4.18Å; L28-F47 HydrophobicContact CD1-CB 4.25Å; L28-F47 HydrophobicContact CD1-CD2 3.59Å; L28-F47 HydrophobicContact CD1-CE2 4.03Å; L28-F47 HydrophobicContact CD1-CG 3.89Å; L28-F47 HydrophobicContact CG-CG 4.44Å; L28-I50 HydrophobicContact CD2-CG2 4.33Å; L28-E51 VanDerWaalsContact CD2-CD 3.49Å; L28-E51 HydrophobicContact CD2-CG 3.56Å
29K96.4Very high96Very high118 Ų11881.8 Ų81.851%0.51338%0.382SS..Hα-helixtrans-62.3-32.6177.9-172.9176.1-175.9176.20113.3C24 Y27 K33C24-K29 WeakPolarHBondContact O-CB 3.44Å; C24-K29 PolarHBondContact O-N 2.88Å; Y27-K29 VanDerWaalsContact C-N 3.34Å; Y27-K29 PolarHBondContact O-N 3.32Å; K29-K33 WeakPolarHBondContact O-CG 3.27Å
30Q96.4Very high95.8Very high87 Ų8781.6 Ų81.641%0.40738%0.384SS..Hα-helixtrans-78.4-41.7177.5-54.2-55.5-27.500111E25 G26 Y27 L28 R32 K33 R34E25-Q30 PolarHBondContact O-NE2 3.06Å; G26-Q30 WeakPolarHBondContact O-CG 3.18Å; Y27-Q30 WeakPolarHBondContact O-CA 3.48Å; Y27-Q30 PolarHBondContact O-N 3Å; L28-Q30 VanDerWaalsContact C-N 3.28Å; L28-Q30 PolarHBondContact O-N 2.96Å; Q30-R32 VanDerWaalsContact C-N 3.33Å; Q30-R32 PolarHBondContact O-N 3.12Å; Q30-K33 WeakPolarHBondContact O-CB 3.25Å; Q30-K33 PolarHBondContact O-N 3.02Å; Q30-R34 PolarHBondContact O-N 3.48Å
31C96.3Very high95.6Very high21 Ų2188.6 Ų88.614%0.14242%0.417CS..Hα-helixtrans-61.3-40.2176.4-62.70000111.9Y27 L28 K33 R34 F38 L43 F47Y27-C31 PolarHBondContact O-N 3.12Å; Y27-C31 PolarHBondContact O-SG 3.2Å; Y27-C31 VanDerWaalsContact O-SG 3.34Å; L28-C31 PolarHBondContact O-N 3.44Å; C31-K33 PolarHBondContact O-N 2.77Å; C31-K33 VanDerWaalsContact O-N 3.15Å; C31-R34 CarbonylContact O-C 3.51Å; C31-R34 PolarHBondContact O-N 3.41Å; C31-F38 HydrophobicContact CB-CD2 3.85Å; C31-F38 HydrophobicContact CB-CE2 4.14Å; C31-F38 HydrophobicContact CB-CG 4.43Å; C31-L43 HydrophobicContact CB-CD2 3.5Å; C31-L43 VanDerWaalsContact CB-CD2 3.5Å; C31-F47 HydrophobicContact CB-CE2 4.49Å
32R95.4Very high95.5Very high110 Ų11087.8 Ų87.842%0.41541%0.414SS..THydrogen-bonded Turntrans-58.3-25.6173.6-77.6176.9171.4158.9-0.5114.3L28 Q30 L43 E51L28-R32 HydrophobicContact CD1-CG 4.16Å; L28-R32 WeakPolarHBondContact O-CB 3.45Å; L28-R32 WeakPolarHBondContact O-CG 3.47Å; L28-R32 PolarHBondContact O-N 3.5Å; Q30-R32 VanDerWaalsContact C-N 3.33Å; Q30-R32 PolarHBondContact O-N 3.12Å; R32-L43 HydrophobicContact CB-CD1 4.43Å; R32-L43 HydrophobicContact CG-CD1 3.74Å; R32-E51 IonicContact CZ-OE1 2.69Å; R32-E51 IonicContact CZ-OE2 3.47Å; R32-E51 VanDerWaalsContact CZ-OE2 3.29Å; R32-E51 VanDerWaalsContact NH1-CD 3.26Å; R32-E51 IonicContact NH1-OE1 2.82Å; R32-E51 PolarHBondContact NH1-OE1 3.44Å; R32-E51 IonicContact NH1-OE2 3.31Å; R32-E51 PolarHBondContact NH1-OE2 3.43Å; R32-E51 IonicContact NH2-OE1 3.24Å; R32-E51 IonicContact NH2-OE2 2.77Å; R32-E51 PolarHBondContact NH2-OE2 3.2Å
33K94.9Very high95.4Very high130 Ų13084.6 Ų84.657%0.56540%0.397SS*.THydrogen-bonded Turntrans-80-22.5175.3-63171.6-171.7169.30112.5K29 Q30 C31 R35K29-K33 WeakPolarHBondContact O-CG 3.27Å; Q30-K33 WeakPolarHBondContact O-CB 3.25Å; Q30-K33 PolarHBondContact O-N 3.02Å; C31-K33 PolarHBondContact O-N 2.77Å; C31-K33 VanDerWaalsContact O-N 3.15Å; K33-R35 PolarHBondContact O-N 3.17Å
34R93.6Very high95.3Very high117 Ų11789.5 Ų89.544%0.44242%0.416SS..  trans-100.362.8-178.2-65.6-61.1-58.7-85.31110.7Q30 C31 D36 M37 F38Q30-R34 PolarHBondContact O-N 3.48Å; C31-R34 CarbonylContact O-C 3.51Å; C31-R34 PolarHBondContact O-N 3.41Å; R34-D36 VanDerWaalsContact C-OD1 3.25Å; R34-D36 VanDerWaalsContact CA-OD1 3.25Å; R34-D36 WeakPolarHBondContact CA-OD1 3.35Å; R34-D36 IonicContact CZ-OD1 2.82Å; R34-D36 IonicContact CZ-OD2 3.89Å; R34-D36 IonicContact NE-OD1 2.69Å; R34-D36 PolarHBondContact NE-OD1 3.45Å; R34-D36 IonicContact NE-OD2 3.93Å; R34-D36 PolarHBondContact NE-OD2 3.29Å; R34-D36 IonicContact NH2-OD1 3.29Å; R34-D36 IonicContact NH2-OD2 3.8Å; R34-D36 PolarHBondContact NH2-OD2 2.88Å; R34-D36 PolarHBondContact O-N 3.21Å; R34-D36 VanDerWaalsContact O-N 3.12Å; R34-M37 HydrophobicContact CB-CB 4.21Å; R34-M37 HydrophobicContact CB-CG 4.25Å; R34-M37 HydrophobicContact CB-SD 4.24Å; R34-M37 HydrophobicContact CG-SD 4.4Å; R34-M37 PolarHBondContact NH2-SD 3.39Å; R34-M37 PolarHBondContact O-N 3.31Å; R34-F38 PolarHBondContact O-N 3.31Å; R34-F38 VanDerWaalsContact O-N 3.12Å
35R89Confident95.3Very high186 Ų18691 Ų9170%0.70243%0.425SS*.THydrogen-bonded Turntrans-61.6-16.2177-66.2-171.9175.2-135.4-5.6113.4K33 M37K33-R35 PolarHBondContact O-N 3.17Å; R35-M37 VanDerWaalsContact C-N 3.33Å
36D92.9Very high95.4Very high118 Ų11887.5 Ų87.563%0.63141%0.409SS*.THydrogen-bonded Turntrans-73-23.5171.560.2-56.9000113.3R34R34-D36 VanDerWaalsContact C-OD1 3.25Å; R34-D36 VanDerWaalsContact CA-OD1 3.25Å; R34-D36 WeakPolarHBondContact CA-OD1 3.35Å; R34-D36 IonicContact CZ-OD1 2.82Å; R34-D36 IonicContact CZ-OD2 3.89Å; R34-D36 IonicContact NE-OD1 2.69Å; R34-D36 PolarHBondContact NE-OD1 3.45Å; R34-D36 IonicContact NE-OD2 3.93Å; R34-D36 PolarHBondContact NE-OD2 3.29Å; R34-D36 IonicContact NH2-OD1 3.29Å; R34-D36 IonicContact NH2-OD2 3.8Å; R34-D36 PolarHBondContact NH2-OD2 2.88Å; R34-D36 PolarHBondContact O-N 3.21Å; R34-D36 VanDerWaalsContact O-N 3.12Å
37M93.4Very high95.5Very high99 Ų9986.6 Ų86.649%0.48839%0.394SS..THydrogen-bonded Turntrans-105.7-35.9-176.8-64.8-176.267.400113.3R34 R35R34-M37 HydrophobicContact CB-CB 4.21Å; R34-M37 HydrophobicContact CB-CG 4.25Å; R34-M37 HydrophobicContact CB-SD 4.24Å; R34-M37 HydrophobicContact CG-SD 4.4Å; R34-M37 PolarHBondContact NH2-SD 3.39Å; R34-M37 PolarHBondContact O-N 3.31Å; R35-M37 VanDerWaalsContact C-N 3.33Å
38F94.5Very high95.5Very high57 Ų5780.5 Ų80.525%0.2538%0.378CS..  trans-130.3127.9-175.7-57.9-80.5000110.5C31 R34 L43 I46C31-F38 HydrophobicContact CB-CD2 3.85Å; C31-F38 HydrophobicContact CB-CE2 4.14Å; C31-F38 HydrophobicContact CB-CG 4.43Å; R34-F38 PolarHBondContact O-N 3.31Å; R34-F38 VanDerWaalsContact O-N 3.12Å; F38-L43 HydrophobicContact CB-CD1 4.33Å; F38-L43 HydrophobicContact CB-CD2 3.59Å; F38-L43 HydrophobicContact CB-CG 3.84Å; F38-L43 HydrophobicContact CD1-CD2 4.29Å; F38-L43 HydrophobicContact CD2-CD2 4.48Å; F38-L43 HydrophobicContact CG-CD2 3.89Å; F38-I46 HydrophobicContact CD1-CD1 4.29Å; F38-I46 HydrophobicContact CE1-CD1 4.35Å
39S95.1Very high95.5Very high54 Ų5480.7 Ų80.738%0.37838%0.379SS..  trans-74.9157.2167.281.50000110.9E41 Q42 L43S39-E41 PolarHBondContact O-N 3.47Å; S39-E41 PolarHBondContact OG-N 3.46Å; S39-Q42 PolarHBondContact O-N 3.03Å; S39-Q42 WeakPolarHBondContact OG-CG 3.3Å; S39-Q42 PolarHBondContact OG-N 3.43Å; S39-Q42 VanDerWaalsContact OG-N 3.12Å; S39-L43 WeakPolarHBondContact O-CG 3.47Å; S39-L43 PolarHBondContact O-N 3.31Å
40D94.3Very high95.6Very high100 Ų10075.2 Ų75.254%0.53536%0.355SS..Hα-helixtrans-59.9-30.3176.2-70-33.4000111.9K44D40-K44 WeakPolarHBondContact O-CB 3.43Å; D40-K44 PolarHBondContact O-N 2.88Å
41E95.1Very high95.7Very high151 Ų15174 Ų7471%0.70635%0.349SS*.Hα-helixtrans-69.9-44.3175.6-173.1169.1-158.600112S39 L43 K44 V45S39-E41 PolarHBondContact O-N 3.47Å; S39-E41 PolarHBondContact OG-N 3.46Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 3.5Å; E41-K44 WeakPolarHBondContact O-CB 3.45Å; E41-K44 PolarHBondContact O-N 3.35Å; E41-K44 VanDerWaalsContact O-N 3.17Å; E41-V45 WeakPolarHBondContact O-CG2 3.48Å; E41-V45 PolarHBondContact O-N 3.04Å
42Q95.9Very high95.8Very high65 Ų6577.1 Ų77.130%0.30437%0.365SS..Hα-helixtrans-61.2-42.1174.3-69.1177.6-62.100111.4S39 K44 V45 I46 E105S39-Q42 PolarHBondContact O-N 3.03Å; S39-Q42 WeakPolarHBondContact OG-CG 3.3Å; S39-Q42 PolarHBondContact OG-N 3.43Å; S39-Q42 VanDerWaalsContact OG-N 3.12Å; Q42-K44 VanDerWaalsContact C-N 3.3Å; Q42-K44 PolarHBondContact O-N 3.29Å; Q42-V45 PolarHBondContact O-N 3.05Å; Q42-I46 WeakPolarHBondContact O-CB 3.31Å; Q42-I46 WeakPolarHBondContact O-CD1 3.33Å; Q42-I46 VanDerWaalsContact O-CG1 3.23Å; Q42-I46 WeakPolarHBondContact O-CG1 3.37Å; Q42-I46 PolarHBondContact O-N 3.26Å; Q42-E105 WeakPolarHBondContact CG-OE1 3.37Å; Q42-E105 PolarHBondContact NE2-OE1 3.19Å
43L96.9Very high96Very high8 Ų871.9 Ų71.94%0.04235%0.345CS..Hα-helixtrans-63.1-38.8176.1-64.4179.7000111.8C31 R32 F38 S39 E41 V45 F47C31-L43 HydrophobicContact CB-CD2 3.5Å; C31-L43 VanDerWaalsContact CB-CD2 3.5Å; R32-L43 HydrophobicContact CB-CD1 4.43Å; R32-L43 HydrophobicContact CG-CD1 3.74Å; F38-L43 HydrophobicContact CB-CD1 4.33Å; F38-L43 HydrophobicContact CB-CD2 3.59Å; F38-L43 HydrophobicContact CB-CG 3.84Å; F38-L43 HydrophobicContact CD1-CD2 4.29Å; F38-L43 HydrophobicContact CD2-CD2 4.48Å; F38-L43 HydrophobicContact CG-CD2 3.89Å; S39-L43 WeakPolarHBondContact O-CG 3.47Å; S39-L43 PolarHBondContact O-N 3.31Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 3.5Å; L43-V45 VanDerWaalsContact C-N 3.35Å; L43-F47 HydrophobicContact CB-CD2 4.49Å; L43-F47 HydrophobicContact CD2-CD2 4.19Å; L43-F47 HydrophobicContact CD2-CE2 3.85Å; L43-F47 WeakPolarHBondContact O-CB 3.43Å; L43-F47 WeakPolarHBondContact O-CD2 3.17Å; L43-F47 PolarHBondContact O-N 2.91Å
44K96.5Very high96.1Very high157 Ų15767.4 Ų67.468%0.68333%0.325SS*.Hα-helixtrans-64-40.3175.8-171.2178.6178.5-175.40111.8D40 E41 Q42 G48D40-K44 WeakPolarHBondContact O-CB 3.43Å; D40-K44 PolarHBondContact O-N 2.88Å; E41-K44 WeakPolarHBondContact O-CB 3.45Å; E41-K44 PolarHBondContact O-N 3.35Å; E41-K44 VanDerWaalsContact O-N 3.17Å; Q42-K44 VanDerWaalsContact C-N 3.3Å; Q42-K44 PolarHBondContact O-N 3.29Å; K44-G48 WeakPolarHBondContact O-CA 3.48Å; K44-G48 PolarHBondContact O-N 3.47Å
45V97.4Very high96.4Very high40 Ų4070.2 Ų70.224%0.24234%0.335CS..Hα-helixtrans-69-48.1176.4174.10000111.3E41 Q42 L43 F47 N98 D101 A102 E105E41-V45 WeakPolarHBondContact O-CG2 3.48Å; E41-V45 PolarHBondContact O-N 3.04Å; Q42-V45 PolarHBondContact O-N 3.05Å; L43-V45 VanDerWaalsContact C-N 3.35Å; V45-F47 PolarHBondContact O-N 2.72Å; V45-N98 PolarHBondContact O-ND2 2.92Å; V45-D101 HydrophobicContact CG1-CB 3.88Å; V45-A102 WeakPolarHBondContact O-CB 3.49Å; V45-E105 HydrophobicContact CG1-CB 4.04Å
46I97.9Very high96.8Very high20 Ų2062.9 Ų62.910%0.10331%0.309CS..Hα-helixtrans-64.8-44.2-176.1-67.4164000111.8F38 Q42 E105 L106F38-I46 HydrophobicContact CD1-CD1 4.29Å; F38-I46 HydrophobicContact CE1-CD1 4.35Å; Q42-I46 WeakPolarHBondContact O-CB 3.31Å; Q42-I46 WeakPolarHBondContact O-CD1 3.33Å; Q42-I46 VanDerWaalsContact O-CG1 3.23Å; Q42-I46 WeakPolarHBondContact O-CG1 3.37Å; Q42-I46 PolarHBondContact O-N 3.26Å; I46-E105 HydrophobicContact CD1-CG 4Å; I46-E105 HydrophobicContact CG1-CB 4.05Å; I46-E105 HydrophobicContact CG1-CG 3.77Å; I46-L106 HydrophobicContact CD1-CD2 4.28Å; I46-L106 HydrophobicContact CG1-CD2 4.31Å; I46-L106 HydrophobicContact CG1-CG 4.36Å; I46-L106 HydrophobicContact CG2-CD1 4.37Å; I46-L106 HydrophobicContact CG2-CD2 3.96Å; I46-L106 HydrophobicContact CG2-CG 4.23Å
47F98.1Very high97Very high23 Ų2357.4 Ų57.410%0.10128%0.279CS..Hα-helixtrans-101.5-12.6-172.6-65-79.4000113.8I23 L28 C31 L43 V45 N49 I50I23-F47 HydrophobicContact CG2-CD1 3.94Å; I23-F47 HydrophobicContact CG2-CE1 4.03Å; L28-F47 HydrophobicContact CB-CD1 4.04Å; L28-F47 HydrophobicContact CB-CD2 4.36Å; L28-F47 HydrophobicContact CB-CE1 4.03Å; L28-F47 HydrophobicContact CB-CE2 4.35Å; L28-F47 HydrophobicContact CB-CG 4.21Å; L28-F47 HydrophobicContact CB-CZ 4.18Å; L28-F47 HydrophobicContact CD1-CB 4.25Å; L28-F47 HydrophobicContact CD1-CD2 3.59Å; L28-F47 HydrophobicContact CD1-CE2 4.03Å; L28-F47 HydrophobicContact CD1-CG 3.89Å; L28-F47 HydrophobicContact CG-CG 4.44Å; C31-F47 HydrophobicContact CB-CE2 4.49Å; L43-F47 HydrophobicContact CB-CD2 4.49Å; L43-F47 HydrophobicContact CD2-CD2 4.19Å; L43-F47 HydrophobicContact CD2-CE2 3.85Å; L43-F47 WeakPolarHBondContact O-CB 3.43Å; L43-F47 WeakPolarHBondContact O-CD2 3.17Å; L43-F47 PolarHBondContact O-N 2.91Å; V45-F47 PolarHBondContact O-N 2.72Å; F47-N49 PolarHBondContact O-N 2.91Å; F47-I50 HydrophobicContact CB-CG2 3.88Å; F47-I50 HydrophobicContact CD1-CG2 4.37Å; F47-I50 WeakPolarHBondContact O-CB 3.44Å; F47-I50 VanDerWaalsContact O-CG2 3.28Å; F47-I50 WeakPolarHBondContact O-CG2 3.47Å; F47-I50 PolarHBondContact O-N 3.06Å
48G97.9Very high97.3Very high26 Ų2657 Ų5727%0.26828%0.277SS..THydrogen-bonded Turntrans51.9-136-178.800000112.6K44K44-G48 WeakPolarHBondContact O-CA 3.48Å; K44-G48 PolarHBondContact O-N 3.47Å
49N98.1Very high97.4Very high8 Ų855.2 Ų55.24%0.04328%0.275CS..THydrogen-bonded Turntrans-95.331.217466.5-16.2000112.8F47 E51 D52 I53 I91 E94 Y95F47-N49 PolarHBondContact O-N 2.91Å; N49-E51 PolarHBondContact O-N 2.84Å; N49-E51 VanDerWaalsContact O-N 3.14Å; N49-D52 HydrophobicContact CB-CB 4.34Å; N49-D52 WeakPolarHBondContact O-CB 3.38Å; N49-D52 PolarHBondContact O-N 3.29Å; N49-I53 PolarHBondContact O-N 3.43Å; N49-I53 VanDerWaalsContact O-N 3.13Å; N49-I91 PolarHBondContact ND2-O 3.41Å; N49-E94 PolarHBondContact ND2-OE2 3.41Å; N49-Y95 VanDerWaalsContact OD1-CB 3.22Å; N49-Y95 WeakPolarHBondContact OD1-CB 3.37Å; N49-Y95 WeakPolarHBondContact OD1-CD2 3.28Å
50I98.4Very high97.6Very high3 Ų352.6 Ų52.62%0.01526%0.257CS..Hα-helixtrans-58.7-29.9-175.7-163.460.9000114L20 I23 L28 F47 D52 I53 Y54 Y95L20-I50 HydrophobicContact CD2-CD1 3.43Å; L20-I50 VanDerWaalsContact CD2-CD1 3.43Å; L20-I50 HydrophobicContact CD2-CG1 4.14Å; I23-I50 HydrophobicContact CG2-CG1 4.04Å; I23-I50 HydrophobicContact CG2-CG2 4.4Å; L28-I50 HydrophobicContact CD2-CG2 4.33Å; F47-I50 HydrophobicContact CB-CG2 3.88Å; F47-I50 HydrophobicContact CD1-CG2 4.37Å; F47-I50 WeakPolarHBondContact O-CB 3.44Å; F47-I50 VanDerWaalsContact O-CG2 3.28Å; F47-I50 WeakPolarHBondContact O-CG2 3.47Å; F47-I50 PolarHBondContact O-N 3.06Å; I50-D52 VanDerWaalsContact C-N 3.31Å; I50-I53 HydrophobicContact CD1-CB 4.38Å; I50-I53 HydrophobicContact CD1-CD1 4.41Å; I50-I53 HydrophobicContact CD1-CG2 4.36Å; I50-I53 PolarHBondContact O-N 2.99Å; I50-Y54 WeakPolarHBondContact O-CB 3.44Å; I50-Y54 PolarHBondContact O-N 3.3Å; I50-Y95 HydrophobicContact CB-CE2 3.96Å; I50-Y95 HydrophobicContact CD1-CD2 4.45Å; I50-Y95 HydrophobicContact CD1-CE1 4.49Å; I50-Y95 HydrophobicContact CD1-CE2 3.75Å; I50-Y95 HydrophobicContact CG1-CE2 4.34Å
51E98.1Very high97.7Very high61 Ų6148.1 Ų48.129%0.28523%0.233SC..Hα-helixtrans-68.4-33175.7-71.9-176.7121.700111.7L28 R32 N49 Y54 R55L28-E51 VanDerWaalsContact CD2-CD 3.49Å; L28-E51 HydrophobicContact CD2-CG 3.56Å; R32-E51 IonicContact CZ-OE1 2.69Å; R32-E51 IonicContact CZ-OE2 3.47Å; R32-E51 VanDerWaalsContact CZ-OE2 3.29Å; R32-E51 VanDerWaalsContact NH1-CD 3.26Å; R32-E51 IonicContact NH1-OE1 2.82Å; R32-E51 PolarHBondContact NH1-OE1 3.44Å; R32-E51 IonicContact NH1-OE2 3.31Å; R32-E51 PolarHBondContact NH1-OE2 3.43Å; R32-E51 IonicContact NH2-OE1 3.24Å; R32-E51 IonicContact NH2-OE2 2.77Å; R32-E51 PolarHBondContact NH2-OE2 3.2Å; N49-E51 PolarHBondContact O-N 2.84Å; N49-E51 VanDerWaalsContact O-N 3.14Å; E51-Y54 PolarHBondContact O-N 3.35Å; E51-R55 VanDerWaalsContact O-CG 3.25Å; E51-R55 WeakPolarHBondContact O-CG 3.22Å; E51-R55 PolarHBondContact O-N 2.89Å
52D98.4Very high97.9Very high87 Ų8747.4 Ų47.447%0.46522%0.223SC..Hα-helixtrans-71.9-42.9176.1-61.3-36.6000110.3N49 I50 Y54 R55 F56N49-D52 HydrophobicContact CB-CB 4.34Å; N49-D52 WeakPolarHBondContact O-CB 3.38Å; N49-D52 PolarHBondContact O-N 3.29Å; I50-D52 VanDerWaalsContact C-N 3.31Å; D52-Y54 VanDerWaalsContact C-N 3.31Å; D52-Y54 PolarHBondContact O-N 3.13Å; D52-R55 PolarHBondContact O-N 3.42Å; D52-F56 WeakPolarHBondContact O-CB 3.27Å; D52-F56 PolarHBondContact O-N 3.35Å
53I98.6Very high97.9Very high0 Ų045.6 Ų45.60%022%0.216CC..Hα-helixtrans-55.3-48.2170.2-71.7177.5000110.5L20 N49 I50 R55 F56 Q57 I91 Y92 Y95L20-I53 HydrophobicContact CD1-CG2 3.93Å; L20-I53 HydrophobicContact CD2-CG2 3.82Å; N49-I53 PolarHBondContact O-N 3.43Å; N49-I53 VanDerWaalsContact O-N 3.13Å; I50-I53 HydrophobicContact CD1-CB 4.38Å; I50-I53 HydrophobicContact CD1-CD1 4.41Å; I50-I53 HydrophobicContact CD1-CG2 4.36Å; I50-I53 PolarHBondContact O-N 2.99Å; I53-R55 PolarHBondContact O-N 2.78Å; I53-F56 PolarHBondContact O-N 3.46Å; I53-Q57 WeakPolarHBondContact O-CB 3.3Å; I53-Q57 PolarHBondContact O-N 3.49Å; I53-I91 HydrophobicContact CG1-CD1 4.02Å; I53-I91 HydrophobicContact CG1-CG1 4.02Å; I53-Y92 HydrophobicContact CD1-CD1 4.13Å; I53-Y92 HydrophobicContact CD1-CE1 4.18Å; I53-Y92 HydrophobicContact CG2-CE1 4.01Å; I53-Y92 HydrophobicContact CG2-CE2 4.41Å; I53-Y92 WeakPolarHBondContact CG2-OH 3.4Å; I53-Y95 VanDerWaalsContact CD1-CB 3.44Å; I53-Y95 HydrophobicContact CD1-CD1 3.91Å; I53-Y95 HydrophobicContact CD1-CD2 3.76Å; I53-Y95 HydrophobicContact CD1-CG 3.41Å; I53-Y95 VanDerWaalsContact CD1-CG 3.41Å
54Y98.6Very high97.9Very high36 Ų3645.2 Ų45.214%0.14121%0.214CC..Hα-helixtrans-60.7-45.2180-179.8-135.2000112.4I17 L20 K21 C24 I50 E51 D52 Q57 M58I17-Y54 HydrophobicContact CG2-CE2 4.16Å; L20-Y54 HydrophobicContact CB-CD2 3.48Å; L20-Y54 VanDerWaalsContact CB-CD2 3.48Å; L20-Y54 HydrophobicContact CB-CE2 4.26Å; L20-Y54 HydrophobicContact CB-CG 4.05Å; L20-Y54 HydrophobicContact CD1-CD2 4.34Å; K21-Y54 HydrophobicContact CB-CE1 4.47Å; K21-Y54 HydrophobicContact CB-CE2 3.88Å; K21-Y54 WeakPolarHBondContact CB-OH 3.5Å; K21-Y54 WeakPolarHBondContact CG-OH 3.28Å; C24-Y54 HydrophobicContact CB-CD1 4.29Å; I50-Y54 WeakPolarHBondContact O-CB 3.44Å; I50-Y54 PolarHBondContact O-N 3.3Å; E51-Y54 PolarHBondContact O-N 3.35Å; D52-Y54 VanDerWaalsContact C-N 3.31Å; D52-Y54 PolarHBondContact O-N 3.13Å; Y54-Q57 PolarHBondContact O-N 3.07Å; Y54-M58 HydrophobicContact CD1-SD 4.39Å; Y54-M58 HydrophobicContact CD2-CG 4.14Å; Y54-M58 HydrophobicContact CD2-SD 4.31Å; Y54-M58 HydrophobicContact CE1-SD 3.83Å; Y54-M58 HydrophobicContact CE2-CG 3.75Å; Y54-M58 HydrophobicContact CE2-SD 3.75Å; Y54-M58 WeakPolarHBondContact O-CG 3.26Å; Y54-M58 PolarHBondContact O-N 2.95Å
55R98.4Very high97.9Very high176 Ų17641.5 Ų41.566%0.66420%0.199SC*.Hα-helixtrans-63-44.9177.3-73.2171.5-174.6-77.2-1.5112.2E51 D52 I53 G59E51-R55 VanDerWaalsContact O-CG 3.25Å; E51-R55 WeakPolarHBondContact O-CG 3.22Å; E51-R55 PolarHBondContact O-N 2.89Å; D52-R55 PolarHBondContact O-N 3.42Å; I53-R55 PolarHBondContact O-N 2.78Å; R55-G59 PolarHBondContact O-N 2.81Å
56F98.3Very high97.8Very high32 Ų3246.2 Ų46.214%0.1422%0.216CC..Hα-helixtrans-60.7-50.1176.3167.8-99.2000110.9D52 I53 M58 G59 F60 H85 F89 I91 Y92D52-F56 WeakPolarHBondContact O-CB 3.27Å; D52-F56 PolarHBondContact O-N 3.35Å; I53-F56 PolarHBondContact O-N 3.46Å; F56-M58 VanDerWaalsContact C-N 3.3Å; F56-M58 PolarHBondContact O-N 3.38Å; F56-G59 WeakPolarHBondContact O-CA 3.34Å; F56-G59 PolarHBondContact O-N 3.3Å; F56-F60 HydrophobicContact CE1-CB 4.42Å; F56-F60 HydrophobicContact CZ-CB 4.38Å; F56-F60 PolarHBondContact O-N 3.32Å; F56-H85 HydrophobicContact CE2-CB 4.06Å; F56-H85 AromaticContact CE2-CD2 3.98Å; F56-H85 HydrophobicContact CZ-CB 4.07Å; F56-F89 AromaticContact CE1-CD1 3.6Å; F56-F89 HydrophobicContact CE1-CD1 3.6Å; F56-F89 AromaticContact CE1-CE1 3.53Å; F56-F89 HydrophobicContact CE1-CE1 3.53Å; F56-F89 HydrophobicContact CE1-CE2 4.48Å; F56-F89 HydrophobicContact CE1-CG 4.12Å; F56-F89 HydrophobicContact CE1-CZ 4Å; F56-F89 AromaticContact CZ-CD1 3.84Å; F56-F89 HydrophobicContact CZ-CD1 3.84Å; F56-F89 AromaticContact CZ-CD2 3.94Å; F56-F89 HydrophobicContact CZ-CD2 3.94Å; F56-F89 AromaticContact CZ-CE1 3.81Å; F56-F89 HydrophobicContact CZ-CE1 3.81Å; F56-F89 AromaticContact CZ-CE2 3.91Å; F56-F89 HydrophobicContact CZ-CE2 3.91Å; F56-F89 AromaticContact CZ-CG 3.91Å; F56-F89 HydrophobicContact CZ-CG 3.91Å; F56-F89 AromaticContact CZ-CZ 3.84Å; F56-F89 HydrophobicContact CZ-CZ 3.84Å; F56-I91 HydrophobicContact CB-CD1 3.54Å; F56-I91 HydrophobicContact CD1-CD1 4.1Å; F56-I91 HydrophobicContact CG-CD1 3.84Å; F56-Y92 HydrophobicContact CD1-CE2 4.09Å; F56-Y92 HydrophobicContact CE1-CE2 4.12Å
57Q98.1Very high97.6Very high2 Ų249.3 Ų49.31%0.00923%0.23CC..Hα-helixtrans-61-40.2-177.2-158.563.322.200111.8E13 Y16 I17 L20 I53 Y54 G59 F60 V61 Y92E13-Q57 PolarHBondContact OE2-NE2 2.74Å; Y16-Q57 HydrophobicContact CD1-CG 3.71Å; Y16-Q57 HydrophobicContact CE1-CG 3.77Å; I17-Q57 HydrophobicContact CD1-CG 4.3Å; I17-Q57 HydrophobicContact CG1-CB 4.17Å; I17-Q57 HydrophobicContact CG1-CG 3.68Å; L20-Q57 HydrophobicContact CD1-CB 3.75Å; L20-Q57 HydrophobicContact CD1-CG 4Å; I53-Q57 WeakPolarHBondContact O-CB 3.3Å; I53-Q57 PolarHBondContact O-N 3.49Å; Y54-Q57 PolarHBondContact O-N 3.07Å; Q57-G59 VanDerWaalsContact C-N 3.3Å; Q57-G59 PolarHBondContact O-N 3.3Å; Q57-F60 PolarHBondContact O-N 3.37Å; Q57-V61 HydrophobicContact CG-CG2 4.29Å; Q57-V61 WeakPolarHBondContact O-CG2 3.48Å; Q57-V61 PolarHBondContact O-N 3.05Å; Q57-Y92 PolarHBondContact OE1-OH 3.22Å; Q57-Y92 VanDerWaalsContact OE1-OH 3.05Å
58M98Very high97.5Very high91 Ų9150 Ų5045%0.44823%0.233SC..Hα-helixtrans-57.4-41.6173.4-76.8-179.556.700113.1I17 Y54 F56 R62I17-M58 HydrophobicContact CD1-CG 4.42Å; Y54-M58 HydrophobicContact CD1-SD 4.39Å; Y54-M58 HydrophobicContact CD2-CG 4.14Å; Y54-M58 HydrophobicContact CD2-SD 4.31Å; Y54-M58 HydrophobicContact CE1-SD 3.83Å; Y54-M58 HydrophobicContact CE2-CG 3.75Å; Y54-M58 HydrophobicContact CE2-SD 3.75Å; Y54-M58 WeakPolarHBondContact O-CG 3.26Å; Y54-M58 PolarHBondContact O-N 2.95Å; F56-M58 VanDerWaalsContact C-N 3.3Å; F56-M58 PolarHBondContact O-N 3.38Å; M58-R62 VanDerWaalsContact O-CB 3.31Å; M58-R62 WeakPolarHBondContact O-CB 3.31Å; M58-R62 PolarHBondContact O-N 3.28Å
59G97.8Very high97.3Very high19 Ų1951.4 Ų51.420%0.19623%0.234CC..Hα-helixtrans-65.8-50.5175.500000111.6R55 F56 Q57 V61 R62 D63R55-G59 PolarHBondContact O-N 2.81Å; F56-G59 WeakPolarHBondContact O-CA 3.34Å; F56-G59 PolarHBondContact O-N 3.3Å; Q57-G59 VanDerWaalsContact C-N 3.3Å; Q57-G59 PolarHBondContact O-N 3.3Å; G59-V61 PolarHBondContact O-N 2.84Å; G59-R62 WeakPolarHBondContact O-CB 3.42Å; G59-R62 PolarHBondContact O-N 3.41Å; G59-D63 PolarHBondContact O-N 3.14Å
60F98.2Very high96.9Very high0 Ų056.7 Ų56.70%026%0.262CS..Hα-helixtrans-56.6-50.9179.9173.8-107.1000112.3E13 F56 Q57 R62 D63 L64 F82 H85 F89E13-F60 HydrophobicContact CG-CE1 4.46Å; F56-F60 HydrophobicContact CE1-CB 4.42Å; F56-F60 HydrophobicContact CZ-CB 4.38Å; F56-F60 PolarHBondContact O-N 3.32Å; Q57-F60 PolarHBondContact O-N 3.37Å; F60-R62 PolarHBondContact O-N 3.39Å; F60-D63 PolarHBondContact O-N 3.44Å; F60-L64 HydrophobicContact CE1-CD2 4.17Å; F60-L64 HydrophobicContact CZ-CD1 4.18Å; F60-L64 HydrophobicContact CZ-CD2 4.31Å; F60-L64 WeakPolarHBondContact O-CB 3.37Å; F60-L64 PolarHBondContact O-N 3.12Å; F60-F82 HydrophobicContact CE1-CE1 4.31Å; F60-F82 HydrophobicContact CE1-CZ 4.4Å; F60-F82 HydrophobicContact CE2-CD1 4.05Å; F60-F82 HydrophobicContact CE2-CD2 4.44Å; F60-F82 HydrophobicContact CE2-CE1 4.21Å; F60-F82 HydrophobicContact CE2-CG 4.18Å; F60-F82 HydrophobicContact CE2-CZ 4.47Å; F60-F82 AromaticContact CZ-CD1 3.78Å; F60-F82 HydrophobicContact CZ-CD1 3.78Å; F60-F82 HydrophobicContact CZ-CD2 4.27Å; F60-F82 AromaticContact CZ-CE1 3.47Å; F60-F82 HydrophobicContact CZ-CE1 3.47Å; F60-F82 VanDerWaalsContact CZ-CE1 3.47Å; F60-F82 AromaticContact CZ-CE2 3.98Å; F60-F82 HydrophobicContact CZ-CE2 3.98Å; F60-F82 HydrophobicContact CZ-CG 4.18Å; F60-F82 AromaticContact CZ-CZ 3.58Å; F60-F82 HydrophobicContact CZ-CZ 3.58Å; F60-H85 HydrophobicContact CD2-CB 3.91Å; F60-H85 AromaticContact CD2-CG 3.78Å; F60-F89 HydrophobicContact CD2-CZ 4.11Å; F60-F89 HydrophobicContact CE1-CZ 4.42Å; F60-F89 HydrophobicContact CE2-CE2 4.44Å; F60-F89 AromaticContact CE2-CZ 3.99Å; F60-F89 HydrophobicContact CE2-CZ 3.99Å; F60-F89 HydrophobicContact CG-CZ 4.39Å; F60-F89 HydrophobicContact CZ-CZ 4.15Å
61V97.9Very high96.7Very high5 Ų563.5 Ų63.53%0.0330%0.298CS..Hα-helixtrans-66.5-37.8-179.3175.90000112E13 I17 Q57 G59 D63 L64 E65E13-V61 HydrophobicContact CB-CG2 3.81Å; I17-V61 HydrophobicContact CD1-CB 3.44Å; I17-V61 VanDerWaalsContact CD1-CB 3.44Å; I17-V61 HydrophobicContact CD1-CG1 3.93Å; I17-V61 HydrophobicContact CD1-CG2 3.38Å; I17-V61 HydrophobicContact CG1-CG2 4.02Å; Q57-V61 HydrophobicContact CG-CG2 4.29Å; Q57-V61 WeakPolarHBondContact O-CG2 3.48Å; Q57-V61 PolarHBondContact O-N 3.05Å; G59-V61 PolarHBondContact O-N 2.84Å; V61-D63 VanDerWaalsContact C-N 3.25Å; V61-D63 PolarHBondContact O-N 3.5Å; V61-L64 WeakPolarHBondContact O-CB 3.29Å; V61-L64 PolarHBondContact O-N 3.3Å; V61-E65 HydrophobicContact CG1-CG 4.26Å; V61-E65 WeakPolarHBondContact O-CB 3.28Å; V61-E65 VanDerWaalsContact O-CG 3.31Å; V61-E65 WeakPolarHBondContact O-CG 3.28Å; V61-E65 PolarHBondContact O-N 2.84Å
62R97.8Very high96.6Very high136 Ų13664 Ų6451%0.51330%0.303SS..Hα-helixtrans-58.4-42.3174.4179.3-162.468.2-158.5-8.1111M58 G59 F60 K66M58-R62 VanDerWaalsContact O-CB 3.31Å; M58-R62 WeakPolarHBondContact O-CB 3.31Å; M58-R62 PolarHBondContact O-N 3.28Å; G59-R62 WeakPolarHBondContact O-CB 3.42Å; G59-R62 PolarHBondContact O-N 3.41Å; F60-R62 PolarHBondContact O-N 3.39Å; R62-K66 WeakPolarHBondContact O-CG 3.47Å; R62-K66 PolarHBondContact O-N 3.19Å
63D97.3Very high96.3Very high28 Ų2860.8 Ų60.815%0.1529%0.287CS..Hα-helixtrans-78-30.4-178-63.4-25.6000111.4G59 F60 V61 K66 Q67 H85G59-D63 PolarHBondContact O-N 3.14Å; F60-D63 PolarHBondContact O-N 3.44Å; V61-D63 VanDerWaalsContact C-N 3.25Å; V61-D63 PolarHBondContact O-N 3.5Å; D63-K66 WeakPolarHBondContact O-CB 3.39Å; D63-K66 PolarHBondContact O-N 2.85Å; D63-K66 WeakPolarHBondContact OD1-CE 2.99Å; D63-K66 IonicContact OD1-NZ 3.9Å; D63-K66 PolarHBondContact OD1-NZ 3.46Å; D63-Q67 PolarHBondContact O-N 3.05Å; D63-H85 IonicContact OD2-CE1 3.92Å; D63-H85 IonicContact OD2-NE2 3.36Å
64L96.3Very high96.1Very high0 Ų065 Ų650%031%0.307CS..Hα-helixtrans-63.3-42.7169.4-161.471000112.1I9 M10 E13 F60 V61 K66 Q67 Y68 I78 C81 F82I9-L64 HydrophobicContact CG2-CD2 4.04Å; M10-L64 HydrophobicContact CE-CD2 4.44Å; M10-L64 HydrophobicContact CE-CG 4.37Å; M10-L64 HydrophobicContact SD-CD2 3.63Å; M10-L64 HydrophobicContact SD-CG 3.67Å; E13-L64 HydrophobicContact CG-CD2 4.17Å; F60-L64 HydrophobicContact CE1-CD2 4.17Å; F60-L64 HydrophobicContact CZ-CD1 4.18Å; F60-L64 HydrophobicContact CZ-CD2 4.31Å; F60-L64 WeakPolarHBondContact O-CB 3.37Å; F60-L64 PolarHBondContact O-N 3.12Å; V61-L64 WeakPolarHBondContact O-CB 3.29Å; V61-L64 PolarHBondContact O-N 3.3Å; L64-K66 VanDerWaalsContact C-N 3.27Å; L64-K66 PolarHBondContact O-N 3.36Å; L64-Q67 PolarHBondContact O-N 2.59Å; L64-Q67 VanDerWaalsContact O-N 3.12Å; L64-Y68 PolarHBondContact O-N 3.03Å; L64-I78 HydrophobicContact CD1-CB 3.71Å; L64-I78 HydrophobicContact CD1-CG2 3.9Å; L64-I78 HydrophobicContact CG-CG2 4.43Å; L64-C81 HydrophobicContact CD1-CB 4.12Å; L64-C81 PolarHBondContact N-SG 3.37Å; L64-F82 HydrophobicContact CD1-CE2 3.95Å
65E95.8Very high96Very high79 Ų7967.9 Ų67.937%0.36932%0.324SS..Hα-helixtrans-64-29.5176.5-76.7-177151.200112.7M10 R14 V61 Q67 Y68M10-E65 HydrophobicContact CE-CB 4.14Å; M10-E65 HydrophobicContact CE-CG 3.35Å; R14-E65 IonicContact CZ-OE1 2.72Å; R14-E65 VanDerWaalsContact CZ-OE1 3.24Å; R14-E65 IonicContact NE-OE1 3.76Å; R14-E65 PolarHBondContact NE-OE1 3.28Å; R14-E65 IonicContact NH2-OE1 3.69Å; R14-E65 PolarHBondContact NH2-OE1 3.49Å; V61-E65 HydrophobicContact CG1-CG 4.26Å; V61-E65 WeakPolarHBondContact O-CB 3.28Å; V61-E65 VanDerWaalsContact O-CG 3.31Å; V61-E65 WeakPolarHBondContact O-CG 3.28Å; V61-E65 PolarHBondContact O-N 2.84Å; E65-Q67 VanDerWaalsContact C-N 3.32Å; E65-Y68 PolarHBondContact O-N 2.97Å
66K95.9Very high95.9Very high138 Ų13859.6 Ų59.660%0.629%0.293SS*.Hα-helixtrans-68.6-31.4173.5-69.1170.9-173.1164.40112.7R62 D63 L64 Y68R62-K66 WeakPolarHBondContact O-CG 3.47Å; R62-K66 PolarHBondContact O-N 3.19Å; D63-K66 WeakPolarHBondContact O-CB 3.39Å; D63-K66 PolarHBondContact O-N 2.85Å; D63-K66 WeakPolarHBondContact OD1-CE 2.99Å; D63-K66 IonicContact OD1-NZ 3.9Å; D63-K66 PolarHBondContact OD1-NZ 3.46Å; L64-K66 VanDerWaalsContact C-N 3.27Å; L64-K66 PolarHBondContact O-N 3.36Å; K66-Y68 VanDerWaalsContact C-N 3.34Å
67Q94.1Very high95.7Very high85 Ų8564.3 Ų64.340%0.39732%0.316SS..Hα-helixtrans-86.4-8.5178.6-56.3-55.2-29.400112.8D63 L64 E65 S76 I78D63-Q67 PolarHBondContact O-N 3.05Å; L64-Q67 PolarHBondContact O-N 2.59Å; L64-Q67 VanDerWaalsContact O-N 3.12Å; E65-Q67 VanDerWaalsContact C-N 3.32Å; Q67-S76 WeakPolarHBondContact O-CB 3.48Å; Q67-I78 HydrophobicContact CB-CG2 4.47Å
68Y94.7Very high95.5Very high39 Ų3965 Ų6515%0.15332%0.319CS..  trans-80.7121.2-179.1-179.9-104.7000111.5I6 N7 M10 L64 E65 K66 N70 P73I6-Y68 HydrophobicContact CG2-CD2 3.73Å; I6-Y68 HydrophobicContact CG2-CE2 3.78Å; N7-Y68 WeakPolarHBondContact OD1-CE2 3.47Å; N7-Y68 PolarHBondContact OD1-OH 3.1Å; M10-Y68 HydrophobicContact CE-CG 4.29Å; M10-Y68 HydrophobicContact CG-CD2 3.61Å; M10-Y68 HydrophobicContact CG-CE2 3.95Å; M10-Y68 HydrophobicContact CG-CG 4.12Å; M10-Y68 HydrophobicContact SD-CD2 4.24Å; M10-Y68 HydrophobicContact SD-CG 4.4Å; L64-Y68 PolarHBondContact O-N 3.03Å; E65-Y68 PolarHBondContact O-N 2.97Å; K66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-N70 HydrophobicContact CE1-CB 4.37Å; Y68-N70 VanDerWaalsContact CE1-OD1 3.3Å; Y68-N70 WeakPolarHBondContact CE1-OD1 3.46Å; Y68-P73 HydrophobicContact CE2-CB 4Å; Y68-P73 HydrophobicContact CE2-CG 4.39Å
69N94.1Very high95.4Very high54 Ų5462.5 Ų62.529%0.28932%0.317SS..  trans-89.4115173.5-174.7-25.5000109.6D71 D72 P73 S76N69-D71 PolarHBondContact OD1-N 3.21Å; N69-D72 WeakPolarHBondContact CB-O 3.45Å; N69-D72 CarbonylContact O-C 3.49Å; N69-D72 PolarHBondContact OD1-N 3.18Å; N69-P73 VanDerWaalsContact O-CA 3.28Å; N69-P73 WeakPolarHBondContact O-CA 3.42Å; N69-S76 PolarHBondContact N-OG 3.3Å
70N90.8Very high95.4Very high120 Ų12064.7 Ų64.764%0.64233%0.327SS*.SBendtrans-71.6-33.8-178-70.9-80.7000113.1Y68Y68-N70 HydrophobicContact CE1-CB 4.37Å; Y68-N70 VanDerWaalsContact CE1-OD1 3.3Å; Y68-N70 WeakPolarHBondContact CE1-OD1 3.46Å
71D93.6Very high95.3Very high145 Ų14564.8 Ų64.878%0.77533%0.328SS*.SBendtrans-80.5-42-177.6-60.1-42.7000110.4N69N69-D71 PolarHBondContact OD1-N 3.21Å
72D95Very high95.3Very high71 Ų7168.1 Ų68.138%0.3834%0.342SS..  trans-12878.2-179.2-70.2-68.5000111.7N69 H74 L75N69-D72 WeakPolarHBondContact CB-O 3.45Å; N69-D72 CarbonylContact O-C 3.49Å; N69-D72 PolarHBondContact OD1-N 3.18Å; D72-H74 PolarHBondContact O-N 2.84Å; D72-H74 IonicContact OD1-CE1 3.91Å; D72-H74 PolarHBondContact OD1-CE1 2.9Å; D72-H74 IonicContact OD1-ND1 2.98Å; D72-L75 HydrophobicContact CB-CB 4.22Å; D72-L75 HydrophobicContact CB-CD1 3.73Å; D72-L75 HydrophobicContact CB-CG 3.93Å; D72-L75 PolarHBondContact O-N 3.14Å
73P93.8Very high95.3Very high21 Ų2167.1 Ų67.114%0.13635%0.347CS..G310 helixtrans-56-32.3-177.5-29.135.7000113.5A3 I6 N7 Y68 N69 L75 S76A3-P73 HydrophobicContact CB-CB 4.02Å; I6-P73 WeakPolarHBondContact CD1-O 3.34Å; N7-P73 WeakPolarHBondContact OD1-CB 3.5Å; Y68-P73 HydrophobicContact CE2-CB 4Å; Y68-P73 HydrophobicContact CE2-CG 4.39Å; N69-P73 VanDerWaalsContact O-CA 3.28Å; N69-P73 WeakPolarHBondContact O-CA 3.42Å; P73-L75 PolarHBondContact O-N 3.48Å; P73-S76 WeakPolarHBondContact O-CB 3.32Å; P73-S76 PolarHBondContact O-N 3.12Å; P73-S76 VanDerWaalsContact O-N 3.11Å; P73-S76 PolarHBondContact O-OG 2.98Å
74H93.9Very high95.3Very high88 Ų8872.5 Ų72.541%0.40737%0.371SS..G310 helixtrans-68.9-5176.676.5-79.8000114.8R2 A3 D72R2-H74 HydrophobicContact CB-CB 4.47Å; R2-H74 WeakPolarHBondContact CD-O 3.29Å; R2-H74 PolarHBondContact NH1-O 3.48Å; A3-H74 HydrophobicContact CB-CB 4.11Å; D72-H74 PolarHBondContact O-N 2.84Å; D72-H74 IonicContact OD1-CE1 3.91Å; D72-H74 PolarHBondContact OD1-CE1 2.9Å; D72-H74 IonicContact OD1-ND1 2.98Å
75L95.9Very high95.3Very high97 Ų9774 Ų7451%0.50838%0.378SS..G310 helixtrans-102.5-6.4171.5-62.5180000112.8D72 P73 E77D72-L75 HydrophobicContact CB-CB 4.22Å; D72-L75 HydrophobicContact CB-CD1 3.73Å; D72-L75 HydrophobicContact CB-CG 3.93Å; D72-L75 PolarHBondContact O-N 3.14Å; P73-L75 PolarHBondContact O-N 3.48Å; L75-E77 PolarHBondContact O-N 2.98Å
76S95.8Very high95.4Very high2 Ų275.9 Ų75.91%0.01439%0.387CS..  trans-60.4132.6-179.6-45.40000111.6R2 Q67 N69 P73R2-S76 VanDerWaalsContact CZ-O 3.27Å; R2-S76 PolarHBondContact NH1-O 3.48Å; R2-S76 PolarHBondContact NH2-O 3.38Å; Q67-S76 WeakPolarHBondContact O-CB 3.48Å; N69-S76 PolarHBondContact N-OG 3.3Å; P73-S76 WeakPolarHBondContact O-CB 3.32Å; P73-S76 PolarHBondContact O-N 3.12Å; P73-S76 VanDerWaalsContact O-N 3.11Å; P73-S76 PolarHBondContact O-OG 2.98Å
77E94.8Very high95.4Very high131 Ų13175.2 Ų75.261%0.61239%0.39SS*.  trans-103.971.5-179.5-66.6-171.9-178.700110.5L75 P80L75-E77 PolarHBondContact O-N 2.98Å; E77-P80 WeakPolarHBondContact O-CD 3.28Å
78I94.9Very high95.5Very high16 Ų1672.2 Ų72.28%0.08238%0.381CS..  trans-79.8-18-175.161.5170.8000114I6 I9 L64 Q67 C81 F82I6-I78 HydrophobicContact CG1-CD1 4.14Å; I9-I78 HydrophobicContact CD1-CD1 3.79Å; I9-I78 HydrophobicContact CG2-CD1 4.44Å; L64-I78 HydrophobicContact CD1-CB 3.71Å; L64-I78 HydrophobicContact CD1-CG2 3.9Å; L64-I78 HydrophobicContact CG-CG2 4.43Å; Q67-I78 HydrophobicContact CB-CG2 4.47Å; I78-C81 VanDerWaalsContact O-CB 3.27Å; I78-C81 WeakPolarHBondContact O-CB 3.49Å; I78-C81 PolarHBondContact O-N 2.94Å; I78-F82 HydrophobicContact CD1-CE2 4.43Å; I78-F82 VanDerWaalsContact O-CD2 3.31Å; I78-F82 WeakPolarHBondContact O-CD2 3.19Å
79G95.7Very high95.6Very high39 Ų3973.3 Ų73.340%0.40239%0.387SS..Hα-helixtrans-58.3-49.1-176.800000114.6C81 F82 L83G79-C81 PolarHBondContact O-N 3.19Å; G79-F82 PolarHBondContact O-N 3.28Å; G79-F82 VanDerWaalsContact O-N 3.08Å; G79-L83 PolarHBondContact O-N 3.25Å
80P96.6Very high95.8Very high64 Ų6478.6 Ų78.642%0.41640%0.403SS..Hα-helixtrans-53.7-37174.9-29.336.5000113.7E77 F82 L83 E84E77-P80 WeakPolarHBondContact O-CD 3.28Å; P80-F82 VanDerWaalsContact C-N 3.29Å; P80-F82 PolarHBondContact O-N 3.12Å; P80-L83 PolarHBondContact O-N 3.44Å; P80-L83 VanDerWaalsContact O-N 3.09Å; P80-E84 WeakPolarHBondContact O-CG 3.38Å; P80-E84 PolarHBondContact O-N 3.4Å
81C96.9Very high96.1Very high2 Ų273.7 Ų73.71%0.01438%0.377CS..Hα-helixtrans-59.3-39.1177.8-171.20000112.2L64 I78 G79 H85L64-C81 HydrophobicContact CD1-CB 4.12Å; L64-C81 PolarHBondContact N-SG 3.37Å; I78-C81 VanDerWaalsContact O-CB 3.27Å; I78-C81 WeakPolarHBondContact O-CB 3.49Å; I78-C81 PolarHBondContact O-N 2.94Å; G79-C81 PolarHBondContact O-N 3.19Å; C81-H85 PolarHBondContact O-N 3.2Å; C81-H85 PolarHBondContact O-ND1 3.02Å
82F97.4Very high96.3Very high75 Ų7569.3 Ų69.333%0.32935%0.35SS..Hα-helixtrans-68.3-38.4175.9-73.8-95.3000112.2I9 F60 L64 I78 G79 P80 H85 Q86 F89I9-F82 HydrophobicContact CG2-CZ 4.5Å; F60-F82 HydrophobicContact CE1-CE1 4.31Å; F60-F82 HydrophobicContact CE1-CZ 4.4Å; F60-F82 HydrophobicContact CE2-CD1 4.05Å; F60-F82 HydrophobicContact CE2-CD2 4.44Å; F60-F82 HydrophobicContact CE2-CE1 4.21Å; F60-F82 HydrophobicContact CE2-CG 4.18Å; F60-F82 HydrophobicContact CE2-CZ 4.47Å; F60-F82 AromaticContact CZ-CD1 3.78Å; F60-F82 HydrophobicContact CZ-CD1 3.78Å; F60-F82 HydrophobicContact CZ-CD2 4.27Å; F60-F82 AromaticContact CZ-CE1 3.47Å; F60-F82 HydrophobicContact CZ-CE1 3.47Å; F60-F82 VanDerWaalsContact CZ-CE1 3.47Å; F60-F82 AromaticContact CZ-CE2 3.98Å; F60-F82 HydrophobicContact CZ-CE2 3.98Å; F60-F82 HydrophobicContact CZ-CG 4.18Å; F60-F82 AromaticContact CZ-CZ 3.58Å; F60-F82 HydrophobicContact CZ-CZ 3.58Å; L64-F82 HydrophobicContact CD1-CE2 3.95Å; I78-F82 HydrophobicContact CD1-CE2 4.43Å; I78-F82 VanDerWaalsContact O-CD2 3.31Å; I78-F82 WeakPolarHBondContact O-CD2 3.19Å; G79-F82 PolarHBondContact O-N 3.28Å; G79-F82 VanDerWaalsContact O-N 3.08Å; P80-F82 VanDerWaalsContact C-N 3.29Å; P80-F82 PolarHBondContact O-N 3.12Å; F82-H85 CarbonylContact O-C 3.55Å; F82-H85 PolarHBondContact O-N 3.5Å; F82-Q86 WeakPolarHBondContact O-CA 3.48Å; F82-Q86 PolarHBondContact O-N 3.39Å; F82-F89 HydrophobicContact CD1-CE2 4.45Å; F82-F89 HydrophobicContact CD1-CZ 4.33Å
83L97.8Very high96.4Very high116 Ų11669.4 Ų69.461%0.60736%0.356SS*.Hα-helixtrans-67.7-39.6178.4-64.4176.2000111.8G79 P80 H85 Q86G79-L83 PolarHBondContact O-N 3.25Å; P80-L83 PolarHBondContact O-N 3.44Å; P80-L83 VanDerWaalsContact O-N 3.09Å; L83-H85 VanDerWaalsContact C-N 3.26Å; L83-H85 PolarHBondContact O-N 3.37Å; L83-Q86 WeakPolarHBondContact O-CB 3.39Å; L83-Q86 VanDerWaalsContact O-CG 3.28Å; L83-Q86 WeakPolarHBondContact O-CG 3.35Å; L83-Q86 PolarHBondContact O-N 3.42Å; L83-Q86 PolarHBondContact O-NE2 3.45Å
84E97.4Very high96.6Very high140 Ų14072.8 Ų72.865%0.65437%0.37SS*.Hα-helixtrans-62.8-34.2175.4-72.8174.3179.900112.2P80P80-E84 WeakPolarHBondContact O-CG 3.38Å; P80-E84 PolarHBondContact O-N 3.4Å
85H97.6Very high96.8Very high31 Ų3171.6 Ų71.614%0.14436%0.362CS..THydrogen-bonded Turntrans-97.83.8-178.3-67.981.3000113.8F56 F60 D63 C81 F82 L83 D87 G88 F89F56-H85 HydrophobicContact CE2-CB 4.06Å; F56-H85 AromaticContact CE2-CD2 3.98Å; F56-H85 HydrophobicContact CZ-CB 4.07Å; F60-H85 HydrophobicContact CD2-CB 3.91Å; F60-H85 AromaticContact CD2-CG 3.78Å; D63-H85 IonicContact OD2-CE1 3.92Å; D63-H85 IonicContact OD2-NE2 3.36Å; C81-H85 PolarHBondContact O-N 3.2Å; C81-H85 PolarHBondContact O-ND1 3.02Å; F82-H85 CarbonylContact O-C 3.55Å; F82-H85 PolarHBondContact O-N 3.5Å; L83-H85 VanDerWaalsContact C-N 3.26Å; L83-H85 PolarHBondContact O-N 3.37Å; H85-D87 VanDerWaalsContact C-N 3.27Å; H85-D87 PolarHBondContact O-N 3.22Å; H85-G88 WeakPolarHBondContact O-CA 3.28Å; H85-G88 PolarHBondContact O-N 2.87Å; H85-F89 HydrophobicContact CB-CE2 4.07Å; H85-F89 VanDerWaalsContact O-CD2 3.26Å; H85-F89 WeakPolarHBondContact O-CD2 3.32Å; H85-F89 PolarHBondContact O-N 3.46Å
86Q96.8Very high96.8Very high119 Ų11970.7 Ų70.756%0.55636%0.364SS*.THydrogen-bonded Turntrans-53.2-44.2-170.672.8-171.6-60.100112.7F82 L83 G88 F89F82-Q86 WeakPolarHBondContact O-CA 3.48Å; F82-Q86 PolarHBondContact O-N 3.39Å; L83-Q86 WeakPolarHBondContact O-CB 3.39Å; L83-Q86 VanDerWaalsContact O-CG 3.28Å; L83-Q86 WeakPolarHBondContact O-CG 3.35Å; L83-Q86 PolarHBondContact O-N 3.42Å; L83-Q86 PolarHBondContact O-NE2 3.45Å; Q86-G88 VanDerWaalsContact C-N 3.35Å; Q86-F89 PolarHBondContact O-N 3.42Å
87D96.2Very high96.9Very high124 Ų12476.4 Ų76.466%0.66339%0.394SS*.G310 helixtrans-66.6-42.7-179.7-67.8-26.5000109.3H85 F89 W90H85-D87 VanDerWaalsContact C-N 3.27Å; H85-D87 PolarHBondContact O-N 3.22Å; D87-F89 PolarHBondContact O-N 3.33Å; D87-W90 VanDerWaalsContact O-CB 3.28Å; D87-W90 WeakPolarHBondContact O-CB 3.45Å; D87-W90 PolarHBondContact O-N 2.93Å
88G96.3Very high97Very high22 Ų2271.8 Ų71.823%0.22737%0.373CS..G310 helixtrans-57.8-24.1-178.600000114.7H85 Q86 W90 I91H85-G88 WeakPolarHBondContact O-CA 3.28Å; H85-G88 PolarHBondContact O-N 2.87Å; Q86-G88 VanDerWaalsContact C-N 3.35Å; G88-W90 PolarHBondContact O-N 2.93Å; G88-I91 WeakPolarHBondContact O-CG1 3.15Å
89F97.5Very high97.1Very high63 Ų6376 Ų7628%0.27639%0.392SS..G310 helixtrans-68-11173.4-69.4-76000113.9F56 F60 F82 H85 Q86 D87 I91 Y92F56-F89 AromaticContact CE1-CD1 3.6Å; F56-F89 HydrophobicContact CE1-CD1 3.6Å; F56-F89 AromaticContact CE1-CE1 3.53Å; F56-F89 HydrophobicContact CE1-CE1 3.53Å; F56-F89 HydrophobicContact CE1-CE2 4.48Å; F56-F89 HydrophobicContact CE1-CG 4.12Å; F56-F89 HydrophobicContact CE1-CZ 4Å; F56-F89 AromaticContact CZ-CD1 3.84Å; F56-F89 HydrophobicContact CZ-CD1 3.84Å; F56-F89 AromaticContact CZ-CD2 3.94Å; F56-F89 HydrophobicContact CZ-CD2 3.94Å; F56-F89 AromaticContact CZ-CE1 3.81Å; F56-F89 HydrophobicContact CZ-CE1 3.81Å; F56-F89 AromaticContact CZ-CE2 3.91Å; F56-F89 HydrophobicContact CZ-CE2 3.91Å; F56-F89 AromaticContact CZ-CG 3.91Å; F56-F89 HydrophobicContact CZ-CG 3.91Å; F56-F89 AromaticContact CZ-CZ 3.84Å; F56-F89 HydrophobicContact CZ-CZ 3.84Å; F60-F89 HydrophobicContact CD2-CZ 4.11Å; F60-F89 HydrophobicContact CE1-CZ 4.42Å; F60-F89 HydrophobicContact CE2-CE2 4.44Å; F60-F89 AromaticContact CE2-CZ 3.99Å; F60-F89 HydrophobicContact CE2-CZ 3.99Å; F60-F89 HydrophobicContact CG-CZ 4.39Å; F60-F89 HydrophobicContact CZ-CZ 4.15Å; F82-F89 HydrophobicContact CD1-CE2 4.45Å; F82-F89 HydrophobicContact CD1-CZ 4.33Å; H85-F89 HydrophobicContact CB-CE2 4.07Å; H85-F89 VanDerWaalsContact O-CD2 3.26Å; H85-F89 WeakPolarHBondContact O-CD2 3.32Å; H85-F89 PolarHBondContact O-N 3.46Å; Q86-F89 PolarHBondContact O-N 3.42Å; D87-F89 PolarHBondContact O-N 3.33Å; F89-I91 PolarHBondContact O-N 2.88Å; F89-I91 VanDerWaalsContact O-N 3.14Å; F89-Y92 HydrophobicContact CD1-CD2 4.19Å; F89-Y92 AromaticContact CD1-CE2 3.99Å; F89-Y92 HydrophobicContact CD1-CE2 3.99Å; F89-Y92 WeakPolarHBondContact O-CB 3.37Å; F89-Y92 WeakPolarHBondContact O-CD2 3.27Å; F89-Y92 PolarHBondContact O-N 2.85Å; F89-Y92 VanDerWaalsContact O-N 3.14Å
90W97Very high97.1Very high165 Ų16579.9 Ų79.963%0.62540%0.403SS*.G310 helixtrans-57.6-30.6178.878-112.4000112.6D87 G88 Y92 S93D87-W90 VanDerWaalsContact O-CB 3.28Å; D87-W90 WeakPolarHBondContact O-CB 3.45Å; D87-W90 PolarHBondContact O-N 2.93Å; G88-W90 PolarHBondContact O-N 2.93Å; W90-Y92 PolarHBondContact O-N 3.04Å; W90-Y92 VanDerWaalsContact O-N 3.12Å; W90-S93 WeakPolarHBondContact O-CB 3.32Å; W90-S93 PolarHBondContact O-N 2.96Å
91I97.7Very high97.2Very high17 Ų1780.5 Ų80.59%0.08740%0.403CS..Hα-helixtrans-60.3-24-178.967.3-174.4000112.9N49 I53 F56 G88 F89 S93 E94 Y95N49-I91 PolarHBondContact ND2-O 3.41Å; I53-I91 HydrophobicContact CG1-CD1 4.02Å; I53-I91 HydrophobicContact CG1-CG1 4.02Å; F56-I91 HydrophobicContact CB-CD1 3.54Å; F56-I91 HydrophobicContact CD1-CD1 4.1Å; F56-I91 HydrophobicContact CG-CD1 3.84Å; G88-I91 WeakPolarHBondContact O-CG1 3.15Å; F89-I91 PolarHBondContact O-N 2.88Å; F89-I91 VanDerWaalsContact O-N 3.14Å; I91-S93 VanDerWaalsContact C-N 3.27Å; I91-S93 PolarHBondContact O-N 3.47Å; I91-E94 PolarHBondContact O-N 2.92Å; I91-Y95 PolarHBondContact O-N 3.06Å
92Y97.7Very high97.2Very high52 Ų5280.7 Ų80.720%0.20441%0.405CS..Hα-helixtrans-68.1-27.5175.1-77.1-94.4000112.5Y16 I53 F56 Q57 F89 W90 Y95 C96Y16-Y92 VanDerWaalsContact CE1-OH 3.29Å; Y16-Y92 WeakPolarHBondContact CE1-OH 3.26Å; Y16-Y92 VanDerWaalsContact OH-CE1 3.28Å; Y16-Y92 WeakPolarHBondContact OH-CE1 3.31Å; Y16-Y92 PolarHBondContact OH-OH 3Å; I53-Y92 HydrophobicContact CD1-CD1 4.13Å; I53-Y92 HydrophobicContact CD1-CE1 4.18Å; I53-Y92 HydrophobicContact CG2-CE1 4.01Å; I53-Y92 HydrophobicContact CG2-CE2 4.41Å; I53-Y92 WeakPolarHBondContact CG2-OH 3.4Å; F56-Y92 HydrophobicContact CD1-CE2 4.09Å; F56-Y92 HydrophobicContact CE1-CE2 4.12Å; Q57-Y92 PolarHBondContact OE1-OH 3.22Å; Q57-Y92 VanDerWaalsContact OE1-OH 3.05Å; F89-Y92 HydrophobicContact CD1-CD2 4.19Å; F89-Y92 AromaticContact CD1-CE2 3.99Å; F89-Y92 HydrophobicContact CD1-CE2 3.99Å; F89-Y92 WeakPolarHBondContact O-CB 3.37Å; F89-Y92 WeakPolarHBondContact O-CD2 3.27Å; F89-Y92 PolarHBondContact O-N 2.85Å; F89-Y92 VanDerWaalsContact O-N 3.14Å; W90-Y92 PolarHBondContact O-N 3.04Å; W90-Y92 VanDerWaalsContact O-N 3.12Å; Y92-Y95 PolarHBondContact O-N 2.95Å; Y92-C96 VanDerWaalsContact O-CB 3.29Å; Y92-C96 WeakPolarHBondContact O-CB 3.46Å; Y92-C96 PolarHBondContact O-N 3.4Å; Y92-C96 PolarHBondContact O-SG 2.94Å
93S97.9Very high97.2Very high73 Ų7379.9 Ų79.951%0.5141%0.408SS..Hα-helixtrans-60.9-48.1175.3-175.60000110.5W90 I91 Y95 C96 N97W90-S93 WeakPolarHBondContact O-CB 3.32Å; W90-S93 PolarHBondContact O-N 2.96Å; I91-S93 VanDerWaalsContact C-N 3.27Å; I91-S93 PolarHBondContact O-N 3.47Å; S93-Y95 PolarHBondContact O-N 3.03Å; S93-C96 PolarHBondContact O-N 3.21Å; S93-N97 VanDerWaalsContact O-CB 3.32Å; S93-N97 WeakPolarHBondContact O-CB 3.39Å; S93-N97 PolarHBondContact O-N 2.86Å; S93-N97 PolarHBondContact O-ND2 2.93Å; S93-N97 PolarHBondContact OG-ND2 3.28Å
94E96.1Very high97.1Very high93 Ų9378.5 Ų78.544%0.43540%0.399SS..Hα-helixtrans-58.6-48.7175.9-179.3-176162.700111.4N49 I91 C96 N97 N98N49-E94 PolarHBondContact ND2-OE2 3.41Å; I91-E94 PolarHBondContact O-N 2.92Å; E94-C96 PolarHBondContact O-N 3.23Å; E94-N97 PolarHBondContact O-N 3.08Å; E94-N98 PolarHBondContact O-N 3.24Å; E94-N98 VanDerWaalsContact O-N 3.12Å
95Y98.1Very high97Very high62 Ų6273.3 Ų73.324%0.24338%0.375CS..Hα-helixtrans-60.3-48.2-179.5-170.8-104.2000112.9N49 I50 I53 I91 Y92 S93 N97 N98 H99N49-Y95 VanDerWaalsContact OD1-CB 3.22Å; N49-Y95 WeakPolarHBondContact OD1-CB 3.37Å; N49-Y95 WeakPolarHBondContact OD1-CD2 3.28Å; I50-Y95 HydrophobicContact CB-CE2 3.96Å; I50-Y95 HydrophobicContact CD1-CD2 4.45Å; I50-Y95 HydrophobicContact CD1-CE1 4.49Å; I50-Y95 HydrophobicContact CD1-CE2 3.75Å; I50-Y95 HydrophobicContact CG1-CE2 4.34Å; I53-Y95 VanDerWaalsContact CD1-CB 3.44Å; I53-Y95 HydrophobicContact CD1-CD1 3.91Å; I53-Y95 HydrophobicContact CD1-CD2 3.76Å; I53-Y95 HydrophobicContact CD1-CG 3.41Å; I53-Y95 VanDerWaalsContact CD1-CG 3.41Å; I91-Y95 PolarHBondContact O-N 3.06Å; Y92-Y95 PolarHBondContact O-N 2.95Å; S93-Y95 PolarHBondContact O-N 3.03Å; Y95-N97 PolarHBondContact O-N 3.31Å; Y95-N98 PolarHBondContact O-N 3.14Å; Y95-H99 PolarHBondContact O-N 3.09Å
96C97.8Very high96.9Very high79 Ų7977.3 Ų77.353%0.53440%0.397SS..Hα-helixtrans-66.7-37.1-178.9-710000111.8Y92 S93 E94 N98 H99Y92-C96 VanDerWaalsContact O-CB 3.29Å; Y92-C96 WeakPolarHBondContact O-CB 3.46Å; Y92-C96 PolarHBondContact O-N 3.4Å; Y92-C96 PolarHBondContact O-SG 2.94Å; S93-C96 PolarHBondContact O-N 3.21Å; E94-C96 PolarHBondContact O-N 3.23Å; C96-N98 VanDerWaalsContact C-N 3.29Å; C96-N98 PolarHBondContact O-N 2.93Å; C96-H99 VanDerWaalsContact O-CB 3.28Å; C96-H99 WeakPolarHBondContact O-CB 3.46Å; C96-H99 PolarHBondContact O-N 3.37Å
97N97.4Very high96.7Very high122 Ų12276.2 Ų76.265%0.65240%0.403SS*.Hα-helixtrans-66-33.3176.5-70.2-27.8000112.1S93 E94 Y95 H99S93-N97 VanDerWaalsContact O-CB 3.32Å; S93-N97 WeakPolarHBondContact O-CB 3.39Å; S93-N97 PolarHBondContact O-N 2.86Å; S93-N97 PolarHBondContact O-ND2 2.93Å; S93-N97 PolarHBondContact OG-ND2 3.28Å; E94-N97 PolarHBondContact O-N 3.08Å; Y95-N97 PolarHBondContact O-N 3.31Å; N97-H99 VanDerWaalsContact C-N 3.33Å
98N97.1Very high95.9Very high34 Ų3480.1 Ų80.118%0.18241%0.414CS..Hα-helixtrans-78.9-12175.6178.282000113.5V45 E94 Y95 C96 L100 D101 A102V45-N98 PolarHBondContact O-ND2 2.92Å; E94-N98 PolarHBondContact O-N 3.24Å; E94-N98 VanDerWaalsContact O-N 3.12Å; Y95-N98 PolarHBondContact O-N 3.14Å; C96-N98 VanDerWaalsContact C-N 3.29Å; C96-N98 PolarHBondContact O-N 2.93Å; N98-L100 VanDerWaalsContact C-N 3.29Å; N98-L100 PolarHBondContact O-N 2.97Å; N98-D101 PolarHBondContact O-N 3.4Å; N98-D101 VanDerWaalsContact O-N 3.1Å; N98-A102 PolarHBondContact O-N 3.18Å
99H96.3Very high95.9Very high104 Ų10483.1 Ų83.148%0.48142%0.423SS..Hα-helixtrans-60.2-35.6-170.9-175.758.8000113.8Y95 C96 N97 A102 C103Y95-H99 PolarHBondContact O-N 3.09Å; C96-H99 VanDerWaalsContact O-CB 3.28Å; C96-H99 WeakPolarHBondContact O-CB 3.46Å; C96-H99 PolarHBondContact O-N 3.37Å; N97-H99 VanDerWaalsContact C-N 3.33Å; H99-A102 PolarHBondContact O-N 3.48Å; H99-C103 PolarHBondContact O-N 3.25Å; H99-C103 PolarHBondContact O-SG 2.91Å; H99-C103 VanDerWaalsContact O-SG 3.41Å
100L96.6Very high95.8Very high121 Ų12184.1 Ų84.163%0.63443%0.431SS*.Hα-helixtrans-64.6-43.9177.2-175.964.4000111.3N98 C103 M104N98-L100 VanDerWaalsContact C-N 3.29Å; N98-L100 PolarHBondContact O-N 2.97Å; L100-C103 PolarHBondContact O-N 3.4Å; L100-M104 HydrophobicContact CG-CE 4.21Å; L100-M104 WeakPolarHBondContact O-CG 3.46Å; L100-M104 PolarHBondContact O-N 3.36Å
101D97.3Very high95.7Very high76 Ų7679.6 Ų79.641%0.40642%0.42SS..Hα-helixtrans-65.4-40.6178.7-62.6-37.3000111.4V45 N98 C103 M104 E105V45-D101 HydrophobicContact CG1-CB 3.88Å; N98-D101 PolarHBondContact O-N 3.4Å; N98-D101 VanDerWaalsContact O-N 3.1Å; D101-C103 PolarHBondContact O-N 3.13Å; D101-M104 HydrophobicContact CB-CE 4.35Å; D101-M104 PolarHBondContact O-N 3.35Å; D101-M104 WeakPolarHBondContact OD1-CE 3.4Å; D101-E105 PolarHBondContact O-N 2.96Å
102A97.4Very high95.6Very high7 Ų783.3 Ų83.36%0.05844%0.44CS..Hα-helixtrans-58.1-46.7173.400000112V45 N98 H99 M104 E105 L106V45-A102 WeakPolarHBondContact O-CB 3.49Å; N98-A102 PolarHBondContact O-N 3.18Å; H99-A102 PolarHBondContact O-N 3.48Å; A102-M104 PolarHBondContact O-N 3.5Å; A102-E105 PolarHBondContact O-N 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.43Å; A102-L106 PolarHBondContact O-N 3.11Å
103C97.1Very high95.5Very high57 Ų5785.3 Ų85.339%0.38545%0.454SS..Hα-helixtrans-63.2-40.6177.3-75.90000112.1H99 L100 D101 L106 S107H99-C103 PolarHBondContact O-N 3.25Å; H99-C103 PolarHBondContact O-SG 2.91Å; H99-C103 VanDerWaalsContact O-SG 3.41Å; L100-C103 PolarHBondContact O-N 3.4Å; D101-C103 PolarHBondContact O-N 3.13Å; C103-L106 PolarHBondContact O-N 3.06Å; C103-S107 WeakPolarHBondContact O-CB 3.4Å; C103-S107 PolarHBondContact O-N 3.31Å; C103-S107 PolarHBondContact O-OG 3.35Å
104M96.7Very high95.3Very high87 Ų8786.1 Ų86.143%0.42945%0.45SS..Hα-helixtrans-63.6-44.8175.9-72.2-172.4-63.900111.4L100 D101 A102 L106 S107L100-M104 HydrophobicContact CG-CE 4.21Å; L100-M104 WeakPolarHBondContact O-CG 3.46Å; L100-M104 PolarHBondContact O-N 3.36Å; D101-M104 HydrophobicContact CB-CE 4.35Å; D101-M104 PolarHBondContact O-N 3.35Å; D101-M104 WeakPolarHBondContact OD1-CE 3.4Å; A102-M104 PolarHBondContact O-N 3.5Å; M104-L106 VanDerWaalsContact C-N 3.33Å; M104-L106 PolarHBondContact O-N 2.74Å; M104-S107 PolarHBondContact O-N 2.86Å; M104-S107 PolarHBondContact O-OG 3.39Å
105E95.6Very high95.2Very high32 Ų3285.6 Ų85.615%0.1545%0.452CS..Hα-helixtrans-63.5-38.3179.4-168.560.9-155.200112.3Q42 V45 I46 D101 A102 S107 K108Q42-E105 WeakPolarHBondContact CG-OE1 3.37Å; Q42-E105 PolarHBondContact NE2-OE1 3.19Å; V45-E105 HydrophobicContact CG1-CB 4.04Å; I46-E105 HydrophobicContact CD1-CG 4Å; I46-E105 HydrophobicContact CG1-CB 4.05Å; I46-E105 HydrophobicContact CG1-CG 3.77Å; D101-E105 PolarHBondContact O-N 2.96Å; A102-E105 PolarHBondContact O-N 3.32Å; E105-S107 VanDerWaalsContact C-N 3.27Å; E105-S107 PolarHBondContact O-N 3.34Å; E105-K108 WeakPolarHBondContact OE2-CE 3.08Å; E105-K108 IonicContact OE2-NZ 2.78Å; E105-K108 PolarHBondContact OE2-NZ 2.66Å
106L93.6Very high95Very high115 Ų11587.4 Ų87.460%0.60247%0.468SS*.Hα-helixtrans-71.2-19.6176.5-72.1170.8000114.1I46 A102 C103 M104I46-L106 HydrophobicContact CD1-CD2 4.28Å; I46-L106 HydrophobicContact CG1-CD2 4.31Å; I46-L106 HydrophobicContact CG1-CG 4.36Å; I46-L106 HydrophobicContact CG2-CD1 4.37Å; I46-L106 HydrophobicContact CG2-CD2 3.96Å; I46-L106 HydrophobicContact CG2-CG 4.23Å; A102-L106 WeakPolarHBondContact O-CG 3.43Å; A102-L106 PolarHBondContact O-N 3.11Å; C103-L106 PolarHBondContact O-N 3.06Å; M104-L106 VanDerWaalsContact C-N 3.33Å; M104-L106 PolarHBondContact O-N 2.74Å
107S93.6Very high94.8Very high96 Ų9688.1 Ų88.167%0.67146%0.462SS*.THydrogen-bonded Turntrans-90.8-5-178.971.60000114.4C103 M104 E105C103-S107 WeakPolarHBondContact O-CB 3.4Å; C103-S107 PolarHBondContact O-N 3.31Å; C103-S107 PolarHBondContact O-OG 3.35Å; M104-S107 PolarHBondContact O-N 2.86Å; M104-S107 PolarHBondContact O-OG 3.39Å; E105-S107 VanDerWaalsContact C-N 3.27Å; E105-S107 PolarHBondContact O-N 3.34Å
108K78.8Confident94.5Very high206 Ų20685 Ų8590%0.89645%0.445SS*.  trans-76.80176.2-70.4176.6-177.7169.60111.4E105E105-K108 WeakPolarHBondContact OE2-CE 3.08Å; E105-K108 IonicContact OE2-NZ 2.78Å; E105-K108 PolarHBondContact OE2-NZ 2.66Å

Retrieved 108 of 108 residues in 149 ms (Link to these results)

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