A0A096LNK4_HUMAN Loading...

Cdc42 guanine nucleotide exchange factor 9

AlphaFold DB , UniProt , Accession A0A096LNK4, Species HUMAN (Homo sapiens, Human), Gene ARHGEF9, Length 110 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
1M83.4Confident95.5Very high194 Ų19473.8 Ų73.896%0.95638%0.38SS*.  0-60.50-164.1176.7-80.800111.6A3 N4 V5M1-A3 PolarHBondContact O-N 3.45Å; M1-N4 WeakPolarHBondContact O-CB 3.48Å; M1-N4 PolarHBondContact O-N 3.08Å; M1-N4 VanDerWaalsContact O-N 3.13Å; M1-V5 PolarHBondContact O-N 3.31Å
2R94.4Very high95.8Very high120 Ų12073.6 Ų73.645%0.45339%0.385SS..Hα-helixtrans-54.9-46.3178.6-170.6179.1-171.6-87.5-4114.3N4 V5 I6 H74 S76R2-N4 VanDerWaalsContact C-N 3.27Å; R2-N4 PolarHBondContact O-N 3.2Å; R2-V5 PolarHBondContact O-N 3.28Å; R2-I6 HydrophobicContact CG-CD1 3.81Å; R2-I6 WeakPolarHBondContact O-CG1 3.5Å; R2-I6 PolarHBondContact O-N 2.98Å; R2-I6 VanDerWaalsContact O-N 3.08Å; R2-H74 HydrophobicContact CB-CB 4.45Å; R2-H74 WeakPolarHBondContact CD-O 3.4Å; R2-H74 PolarHBondContact NH1-O 3.26Å; R2-S76 VanDerWaalsContact CZ-O 3.28Å; R2-S76 PolarHBondContact NH1-O 3.49Å; R2-S76 PolarHBondContact NH2-O 3.46Å
3A95.4Very high95.9Very high23 Ų2370.7 Ų70.719%0.1937%0.368CS..Hα-helixtrans-55-40.4176.500000113.2M1 I6 N7 P73 H74M1-A3 PolarHBondContact O-N 3.45Å; A3-I6 PolarHBondContact O-N 2.92Å; A3-N7 WeakPolarHBondContact O-CB 3.23Å; A3-N7 PolarHBondContact O-N 3.42Å; A3-N7 PolarHBondContact O-ND2 3.13Å; A3-P73 HydrophobicContact CB-CB 4.03Å; A3-H74 HydrophobicContact CB-CB 4.11Å
4N96.3Very high96.1Very high114 Ų11473.4 Ų73.461%0.6137%0.371SS*.Hα-helixtrans-65.2-43.8-178.9-61.42.2000111M1 R2 N7 E8M1-N4 WeakPolarHBondContact O-CB 3.48Å; M1-N4 PolarHBondContact O-N 3.08Å; M1-N4 VanDerWaalsContact O-N 3.13Å; R2-N4 VanDerWaalsContact C-N 3.27Å; R2-N4 PolarHBondContact O-N 3.2Å; N4-N7 PolarHBondContact O-N 2.76Å; N4-E8 WeakPolarHBondContact O-CB 3.48Å; N4-E8 PolarHBondContact O-N 3.08Å
5V96.9Very high96.2Very high73 Ų7375.4 Ų75.444%0.44238%0.378SS..Hα-helixtrans-62.9-43.3177.8177.90000110.9M1 R2 E8 I9M1-V5 PolarHBondContact O-N 3.31Å; R2-V5 PolarHBondContact O-N 3.28Å; V5-E8 PolarHBondContact O-N 2.81Å; V5-I9 HydrophobicContact CG1-CD1 4.04Å; V5-I9 WeakPolarHBondContact O-CG1 3.18Å; V5-I9 PolarHBondContact O-N 2.95Å
6I96.9Very high96.4Very high5 Ų575.3 Ų75.33%0.02637%0.373CS..Hα-helixtrans-65.2-45.2178.8-66.9168.2000110.3R2 A3 E8 I9 M10 Y68 P73 I78R2-I6 HydrophobicContact CG-CD1 3.81Å; R2-I6 WeakPolarHBondContact O-CG1 3.5Å; R2-I6 PolarHBondContact O-N 2.98Å; R2-I6 VanDerWaalsContact O-N 3.08Å; A3-I6 PolarHBondContact O-N 2.92Å; I6-E8 VanDerWaalsContact C-N 3.29Å; I6-E8 PolarHBondContact O-N 2.92Å; I6-I9 PolarHBondContact O-N 3.45Å; I6-M10 HydrophobicContact CG2-CG 4.44Å; I6-M10 VanDerWaalsContact O-CG 3.28Å; I6-M10 WeakPolarHBondContact O-CG 3.4Å; I6-M10 PolarHBondContact O-N 3.16Å; I6-Y68 HydrophobicContact CG2-CD2 3.72Å; I6-Y68 HydrophobicContact CG2-CE2 3.74Å; I6-P73 WeakPolarHBondContact CD1-O 3.35Å; I6-I78 HydrophobicContact CG1-CD1 4.21Å
7N96.8Very high96.5Very high61 Ų6172.7 Ų72.733%0.32636%0.36SS..Hα-helixtrans-62-38.8176.9-71.1-16.4000112.1A3 N4 S11 Y68A3-N7 WeakPolarHBondContact O-CB 3.23Å; A3-N7 PolarHBondContact O-N 3.42Å; A3-N7 PolarHBondContact O-ND2 3.13Å; N4-N7 PolarHBondContact O-N 2.76Å; N7-S11 VanDerWaalsContact O-CB 3.26Å; N7-S11 WeakPolarHBondContact O-CB 3.1Å; N7-S11 PolarHBondContact O-N 2.91Å; N7-Y68 WeakPolarHBondContact OD1-CE2 3.39Å; N7-Y68 PolarHBondContact OD1-OH 2.77Å
8E98.1Very high96.6Very high126 Ų12675.7 Ų75.759%0.58937%0.371SS*.Hα-helixtrans-61.3-52.8174.8-175.9175.2-167.400110.7N4 V5 I6 M10 S11 T12N4-E8 WeakPolarHBondContact O-CB 3.48Å; N4-E8 PolarHBondContact O-N 3.08Å; V5-E8 PolarHBondContact O-N 2.81Å; I6-E8 VanDerWaalsContact C-N 3.29Å; I6-E8 PolarHBondContact O-N 2.92Å; E8-M10 VanDerWaalsContact C-N 3.34Å; E8-M10 PolarHBondContact O-N 3.34Å; E8-S11 WeakPolarHBondContact O-CB 3.49Å; E8-S11 PolarHBondContact O-N 2.86Å; E8-S11 VanDerWaalsContact O-N 3.07Å; E8-T12 HydrophobicContact CG-CG2 4.16Å; E8-T12 WeakPolarHBondContact O-CG2 3.35Å; E8-T12 PolarHBondContact O-N 2.94Å; E8-T12 PolarHBondContact O-OG1 3.34Å
9I97.6Very high96.7Very high42 Ų4277.4 Ų77.422%0.21538%0.378CS..Hα-helixtrans-53.2-51.3176.1-68.8166.3000110.5V5 I6 S11 T12 E13 I78 F82V5-I9 HydrophobicContact CG1-CD1 4.04Å; V5-I9 WeakPolarHBondContact O-CG1 3.18Å; V5-I9 PolarHBondContact O-N 2.95Å; I6-I9 PolarHBondContact O-N 3.45Å; I9-S11 VanDerWaalsContact C-N 3.28Å; I9-S11 PolarHBondContact O-N 3.15Å; I9-T12 PolarHBondContact O-N 2.84Å; I9-T12 PolarHBondContact O-OG1 3.22Å; I9-T12 VanDerWaalsContact O-OG1 3.08Å; I9-E13 HydrophobicContact CG2-CG 4.19Å; I9-E13 VanDerWaalsContact O-CB 3.24Å; I9-E13 WeakPolarHBondContact O-CB 3.1Å; I9-E13 WeakPolarHBondContact O-CG 2.99Å; I9-E13 PolarHBondContact O-N 2.68Å; I9-I78 HydrophobicContact CD1-CD1 3.75Å; I9-I78 HydrophobicContact CG2-CD1 4.42Å; I9-F82 HydrophobicContact CG2-CZ 4.48Å
10M97.4Very high96.8Very high1 Ų173.7 Ų73.71%0.00536%0.36CS..Hα-helixtrans-62-37.1-179.5-64.7-53.8-64.500112.6I6 E8 R14 L64 E65 Y68I6-M10 HydrophobicContact CG2-CG 4.44Å; I6-M10 VanDerWaalsContact O-CG 3.28Å; I6-M10 WeakPolarHBondContact O-CG 3.4Å; I6-M10 PolarHBondContact O-N 3.16Å; E8-M10 VanDerWaalsContact C-N 3.34Å; E8-M10 PolarHBondContact O-N 3.34Å; M10-R14 WeakPolarHBondContact O-CG 3.34Å; M10-R14 PolarHBondContact O-N 2.95Å; M10-R14 PolarHBondContact O-NE 3.09Å; M10-L64 HydrophobicContact CE-CB 4.19Å; M10-L64 HydrophobicContact SD-CB 3.98Å; M10-E65 HydrophobicContact CE-CB 4.14Å; M10-E65 HydrophobicContact CE-CG 3.37Å; M10-Y68 HydrophobicContact CE-CG 4.41Å; M10-Y68 HydrophobicContact CG-CD2 3.69Å; M10-Y68 HydrophobicContact CG-CE2 4.02Å; M10-Y68 HydrophobicContact CG-CG 4.24Å; M10-Y68 HydrophobicContact SD-CD2 4.4Å
11S97.5Very high96.8Very high53 Ų5374.2 Ų74.237%0.37136%0.36SS..Hα-helixtrans-69.8-51.1178-176.40000111.3N7 E8 I9 E13 R14 H15N7-S11 VanDerWaalsContact O-CB 3.26Å; N7-S11 WeakPolarHBondContact O-CB 3.1Å; N7-S11 PolarHBondContact O-N 2.91Å; E8-S11 WeakPolarHBondContact O-CB 3.49Å; E8-S11 PolarHBondContact O-N 2.86Å; E8-S11 VanDerWaalsContact O-N 3.07Å; I9-S11 VanDerWaalsContact C-N 3.28Å; I9-S11 PolarHBondContact O-N 3.15Å; S11-E13 VanDerWaalsContact C-N 3.28Å; S11-E13 PolarHBondContact O-N 3.46Å; S11-R14 PolarHBondContact O-N 2.84Å; S11-H15 PolarHBondContact O-N 3.35Å; S11-H15 PolarHBondContact O-ND1 2.84Å; S11-H15 PolarHBondContact OG-CE1 2.96Å
12T98.3Very high97.6Very high71 Ų7168.7 Ų68.744%0.43633%0.334SS..Hα-helixtrans-62.8-38.7-177.553.50000111E8 I9 H15 Y16E8-T12 HydrophobicContact CG-CG2 4.16Å; E8-T12 WeakPolarHBondContact O-CG2 3.35Å; E8-T12 PolarHBondContact O-N 2.94Å; E8-T12 PolarHBondContact O-OG1 3.34Å; I9-T12 PolarHBondContact O-N 2.84Å; I9-T12 PolarHBondContact O-OG1 3.22Å; I9-T12 VanDerWaalsContact O-OG1 3.08Å; T12-H15 PolarHBondContact O-N 3.11Å; T12-Y16 WeakPolarHBondContact O-CB 3.41Å; T12-Y16 PolarHBondContact O-N 3.22Å
13E98.1Very high97.8Very high36 Ų3665.5 Ų65.517%0.16833%0.326CS..Hα-helixtrans-66.2-40.4178.2-72.3-57.616300113.4I9 S11 H15 Y16 I17 Q57 V61 L64I9-E13 HydrophobicContact CG2-CG 4.19Å; I9-E13 VanDerWaalsContact O-CB 3.24Å; I9-E13 WeakPolarHBondContact O-CB 3.1Å; I9-E13 WeakPolarHBondContact O-CG 2.99Å; I9-E13 PolarHBondContact O-N 2.68Å; S11-E13 VanDerWaalsContact C-N 3.28Å; S11-E13 PolarHBondContact O-N 3.46Å; E13-H15 PolarHBondContact O-N 3.18Å; E13-Y16 PolarHBondContact O-N 3.03Å; E13-I17 PolarHBondContact O-N 3.38Å; E13-Q57 PolarHBondContact OE2-NE2 3.48Å; E13-V61 HydrophobicContact CB-CG2 3.78Å; E13-L64 HydrophobicContact CG-CD1 4.18Å
14R97.9Very high97.9Very high108 Ų10864.8 Ų64.841%0.40832%0.319SS..Hα-helixtrans-64.2-39.9173-78.5-174.3-86.6-111.87.8112.5M10 S11 K18 V61 E65M10-R14 WeakPolarHBondContact O-CG 3.34Å; M10-R14 PolarHBondContact O-N 2.95Å; M10-R14 PolarHBondContact O-NE 3.09Å; S11-R14 PolarHBondContact O-N 2.84Å; R14-K18 PolarHBondContact O-N 3.25Å; R14-V61 HydrophobicContact CG-CG1 4.3Å; R14-E65 IonicContact CZ-OE1 2.77Å; R14-E65 IonicContact NH1-OE1 2.73Å; R14-E65 PolarHBondContact NH1-OE1 3.05Å
15H98.4Very high97.9Very high104 Ų10463.9 Ų63.948%0.48131%0.311SS..Hα-helixtrans-65.5-41174.8-73.694000111.5S11 T12 E13 I17 K18 H19S11-H15 PolarHBondContact O-N 3.35Å; S11-H15 PolarHBondContact O-ND1 2.84Å; S11-H15 PolarHBondContact OG-CE1 2.96Å; T12-H15 PolarHBondContact O-N 3.11Å; E13-H15 PolarHBondContact O-N 3.18Å; H15-I17 PolarHBondContact O-N 3.37Å; H15-K18 WeakPolarHBondContact O-CB 3.46Å; H15-K18 PolarHBondContact O-N 2.91Å; H15-K18 VanDerWaalsContact O-N 3.1Å; H15-H19 PolarHBondContact O-CD2 3.28Å; H15-H19 VanDerWaalsContact O-CD2 3.3Å; H15-H19 PolarHBondContact O-N 3.44Å
16Y98.4Very high97.9Very high73 Ų7362.3 Ų62.329%0.28631%0.31SS..Hα-helixtrans-62.8-43.9179-177.8-125.5000112.2T12 E13 K18 H19 L20 Q57 Y92T12-Y16 WeakPolarHBondContact O-CB 3.41Å; T12-Y16 PolarHBondContact O-N 3.22Å; E13-Y16 PolarHBondContact O-N 3.03Å; Y16-K18 VanDerWaalsContact C-N 3.26Å; Y16-K18 PolarHBondContact O-N 3.43Å; Y16-H19 WeakPolarHBondContact O-CB 3.3Å; Y16-H19 PolarHBondContact O-N 3.21Å; Y16-H19 VanDerWaalsContact O-N 3.12Å; Y16-L20 HydrophobicContact CD1-CD1 4.02Å; Y16-L20 HydrophobicContact CD2-CG 4.45Å; Y16-L20 HydrophobicContact CE1-CD1 3.58Å; Y16-L20 HydrophobicContact CE1-CG 4.27Å; Y16-L20 HydrophobicContact CE2-CD1 4.27Å; Y16-L20 HydrophobicContact CE2-CD2 4.12Å; Y16-L20 HydrophobicContact CE2-CG 4.06Å; Y16-L20 WeakPolarHBondContact O-CG 3.38Å; Y16-L20 PolarHBondContact O-N 2.94Å; Y16-Q57 HydrophobicContact CD1-CG 3.71Å; Y16-Q57 HydrophobicContact CE1-CG 3.86Å; Y16-Y92 VanDerWaalsContact CE1-OH 3.32Å; Y16-Y92 WeakPolarHBondContact CE1-OH 3.48Å; Y16-Y92 WeakPolarHBondContact OH-CE1 3.36Å; Y16-Y92 PolarHBondContact OH-OH 3.41Å
17I98.3Very high97.9Very high32 Ų3269.3 Ų69.316%0.16434%0.338CS..Hα-helixtrans-56.1-40.7171.3-79.7-174000112.1E13 H15 L20 K21 Y54 Q57 M58 V61E13-I17 PolarHBondContact O-N 3.38Å; H15-I17 PolarHBondContact O-N 3.37Å; I17-L20 PolarHBondContact O-N 2.96Å; I17-K21 WeakPolarHBondContact O-CB 3.48Å; I17-K21 PolarHBondContact O-N 3.47Å; I17-Y54 HydrophobicContact CG2-CE2 4.09Å; I17-Q57 HydrophobicContact CD1-CG 4.4Å; I17-Q57 HydrophobicContact CG1-CB 4.17Å; I17-Q57 HydrophobicContact CG1-CG 3.77Å; I17-M58 HydrophobicContact CD1-CG 4.35Å; I17-V61 HydrophobicContact CD1-CB 3.44Å; I17-V61 VanDerWaalsContact CD1-CB 3.44Å; I17-V61 HydrophobicContact CD1-CG1 3.94Å; I17-V61 HydrophobicContact CD1-CG2 3.37Å; I17-V61 HydrophobicContact CG1-CG2 4.02Å
18K98.1Very high97.9Very high127 Ų12766.6 Ų66.655%0.55232%0.323SS*.Hα-helixtrans-62.5-44.4177.7-172.6-175.8176.7-175.30111R14 H15 Y16 L20 K21 D22R14-K18 PolarHBondContact O-N 3.25Å; H15-K18 WeakPolarHBondContact O-CB 3.46Å; H15-K18 PolarHBondContact O-N 2.91Å; H15-K18 VanDerWaalsContact O-N 3.1Å; Y16-K18 VanDerWaalsContact C-N 3.26Å; Y16-K18 PolarHBondContact O-N 3.43Å; K18-L20 PolarHBondContact O-N 2.92Å; K18-K21 WeakPolarHBondContact O-CB 3.41Å; K18-K21 PolarHBondContact O-N 3.11Å; K18-D22 VanDerWaalsContact O-CG 3.25Å; K18-D22 PolarHBondContact O-N 3.02Å
19H98.6Very high97.9Very high108 Ų10866.3 Ų66.350%0.532%0.32SS..Hα-helixtrans-61.3-44.6176.1-64.7-41.3000112.3H15 Y16 K21 D22 I23H15-H19 PolarHBondContact O-CD2 3.28Å; H15-H19 VanDerWaalsContact O-CD2 3.3Å; H15-H19 PolarHBondContact O-N 3.44Å; Y16-H19 WeakPolarHBondContact O-CB 3.3Å; Y16-H19 PolarHBondContact O-N 3.21Å; Y16-H19 VanDerWaalsContact O-N 3.12Å; H19-K21 VanDerWaalsContact C-N 3.31Å; H19-K21 PolarHBondContact O-N 3.48Å; H19-D22 PolarHBondContact O-N 2.87Å; H19-I23 VanDerWaalsContact O-CG1 3.32Å; H19-I23 WeakPolarHBondContact O-CG1 3.42Å; H19-I23 PolarHBondContact O-N 3.24Å
20L98.6Very high97.8Very high3 Ų368.5 Ų68.52%0.01633%0.329CS..Hα-helixtrans-60.5-42.1176.3-68.4173.8000112Y16 I17 K18 I23 C24 I50 I53 Y54 Q57Y16-L20 HydrophobicContact CD1-CD1 4.02Å; Y16-L20 HydrophobicContact CD2-CG 4.45Å; Y16-L20 HydrophobicContact CE1-CD1 3.58Å; Y16-L20 HydrophobicContact CE1-CG 4.27Å; Y16-L20 HydrophobicContact CE2-CD1 4.27Å; Y16-L20 HydrophobicContact CE2-CD2 4.12Å; Y16-L20 HydrophobicContact CE2-CG 4.06Å; Y16-L20 WeakPolarHBondContact O-CG 3.38Å; Y16-L20 PolarHBondContact O-N 2.94Å; I17-L20 PolarHBondContact O-N 2.96Å; K18-L20 PolarHBondContact O-N 2.92Å; L20-I23 PolarHBondContact O-N 3.44Å; L20-C24 WeakPolarHBondContact O-CB 3.47Å; L20-C24 PolarHBondContact O-N 3.45Å; L20-C24 PolarHBondContact O-SG 3.21Å; L20-I50 HydrophobicContact CD2-CD1 3.4Å; L20-I50 HydrophobicContact CD2-CG1 4.09Å; L20-I53 HydrophobicContact CD1-CG2 3.9Å; L20-I53 HydrophobicContact CD2-CG2 3.89Å; L20-Y54 HydrophobicContact CB-CD2 3.47Å; L20-Y54 VanDerWaalsContact CB-CD2 3.47Å; L20-Y54 HydrophobicContact CB-CE2 4.24Å; L20-Y54 HydrophobicContact CB-CG 4.04Å; L20-Y54 HydrophobicContact CD1-CD2 4.31Å; L20-Q57 HydrophobicContact CD1-CB 3.78Å; L20-Q57 HydrophobicContact CD1-CG 4.04Å
21K98.3Very high97.8Very high84 Ų8469.5 Ų69.537%0.36534%0.336SS..Hα-helixtrans-61.4-47.7174.9-173.6-178.9178.9-1790111.6I17 K18 H19 I23 C24 E25 Y54I17-K21 WeakPolarHBondContact O-CB 3.48Å; I17-K21 PolarHBondContact O-N 3.47Å; K18-K21 WeakPolarHBondContact O-CB 3.41Å; K18-K21 PolarHBondContact O-N 3.11Å; H19-K21 VanDerWaalsContact C-N 3.31Å; H19-K21 PolarHBondContact O-N 3.48Å; K21-I23 VanDerWaalsContact C-N 3.27Å; K21-I23 PolarHBondContact O-N 2.76Å; K21-C24 PolarHBondContact O-N 3.3Å; K21-E25 WeakPolarHBondContact CE-OE1 3.41Å; K21-E25 WeakPolarHBondContact CE-OE2 3.29Å; K21-E25 HydrophobicContact CG-CG 4.14Å; K21-E25 IonicContact NZ-OE2 3.84Å; K21-E25 WeakPolarHBondContact O-CB 3.31Å; K21-E25 PolarHBondContact O-N 3.01Å; K21-Y54 HydrophobicContact CB-CE1 4.48Å; K21-Y54 HydrophobicContact CB-CE2 3.9Å; K21-Y54 WeakPolarHBondContact CG-OH 3.47Å
22D98.4Very high97.7Very high78 Ų7872.2 Ų72.242%0.41734%0.338SS..Iπ-helixtrans-61.3-38.1179.9-68.7-18.9000110.9K18 H19 G26 Y27K18-D22 VanDerWaalsContact O-CG 3.25Å; K18-D22 PolarHBondContact O-N 3.02Å; H19-D22 PolarHBondContact O-N 2.87Å; D22-G26 WeakPolarHBondContact O-CA 3.41Å; D22-G26 PolarHBondContact O-N 2.93Å; D22-Y27 PolarHBondContact O-N 3.13Å
23I98.4Very high97.6Very high54 Ų5475 Ų7528%0.27734%0.344SS..Iπ-helixtrans-64.1-51.1173.2-66.6164.7000111H19 L20 K21 Y27 L28 F47 I50H19-I23 VanDerWaalsContact O-CG1 3.32Å; H19-I23 WeakPolarHBondContact O-CG1 3.42Å; H19-I23 PolarHBondContact O-N 3.24Å; L20-I23 PolarHBondContact O-N 3.44Å; K21-I23 VanDerWaalsContact C-N 3.27Å; K21-I23 PolarHBondContact O-N 2.76Å; I23-Y27 WeakPolarHBondContact O-CB 3.43Å; I23-Y27 PolarHBondContact O-N 3.01Å; I23-Y27 VanDerWaalsContact O-N 3.15Å; I23-L28 PolarHBondContact O-N 2.77Å; I23-F47 HydrophobicContact CG2-CD1 3.9Å; I23-F47 HydrophobicContact CG2-CE1 4.04Å; I23-I50 HydrophobicContact CG2-CG1 4.05Å; I23-I50 HydrophobicContact CG2-CG2 4.39Å
24C98.2Very high97.4Very high8 Ų878.9 Ų78.95%0.05436%0.357CS..Iπ-helixtrans-66.7-47.9-176-66.70000112.5L20 K21 K29 Y54L20-C24 WeakPolarHBondContact O-CB 3.47Å; L20-C24 PolarHBondContact O-N 3.45Å; L20-C24 PolarHBondContact O-SG 3.21Å; K21-C24 PolarHBondContact O-N 3.3Å; C24-K29 WeakPolarHBondContact O-CB 3.44Å; C24-K29 PolarHBondContact O-N 3.1Å; C24-Y54 HydrophobicContact CB-CD1 4.33Å
25E96.3Very high97Very high94 Ų9482.6 Ų82.644%0.43937%0.371SS..Iπ-helixtrans-88.1-37.2-174.5-63.7-173.1176.600113.3K21 Q30K21-E25 WeakPolarHBondContact CE-OE1 3.41Å; K21-E25 WeakPolarHBondContact CE-OE2 3.29Å; K21-E25 HydrophobicContact CG-CG 4.14Å; K21-E25 IonicContact NZ-OE2 3.84Å; K21-E25 WeakPolarHBondContact O-CB 3.31Å; K21-E25 PolarHBondContact O-N 3.01Å; E25-Q30 PolarHBondContact O-NE2 2.97Å
26G96.8Very high96.8Very high41 Ų4183.2 Ų83.242%0.42338%0.378SS..Iπ-helixtrans-82.2-36.9-176.400000113.1D22 Q30D22-G26 WeakPolarHBondContact O-CA 3.41Å; D22-G26 PolarHBondContact O-N 2.93Å; G26-Q30 WeakPolarHBondContact O-CG 3.39Å
27Y97.2Very high96.5Very high152 Ų15284.2 Ų84.260%0.59639%0.387SS*.Iπ-helixtrans-108.8-69.6-178-65.1-88.7000111.9D22 I23 K29 Q30 C31D22-Y27 PolarHBondContact O-N 3.13Å; I23-Y27 WeakPolarHBondContact O-CB 3.43Å; I23-Y27 PolarHBondContact O-N 3.01Å; I23-Y27 VanDerWaalsContact O-N 3.15Å; Y27-K29 VanDerWaalsContact C-N 3.34Å; Y27-K29 PolarHBondContact O-N 2.84Å; Y27-Q30 WeakPolarHBondContact O-CA 3.23Å; Y27-Q30 PolarHBondContact O-N 3.23Å; Y27-C31 PolarHBondContact O-N 3.17Å; Y27-C31 PolarHBondContact O-SG 3.41Å; Y27-C31 VanDerWaalsContact O-SG 3.34Å
28L97.6Very high96.4Very high4 Ų484.3 Ų84.32%0.02139%0.386CS..Iπ-helixtrans-54.8-47.8-171.217459.3000112.2I23 Q30 C31 R32 F47 I50 E51I23-L28 PolarHBondContact O-N 2.77Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 3.38Å; L28-C31 PolarHBondContact O-N 3.12Å; L28-R32 HydrophobicContact CD1-CG 4.16Å; L28-R32 WeakPolarHBondContact O-CB 3.26Å; L28-R32 WeakPolarHBondContact O-CG 3.14Å; L28-R32 PolarHBondContact O-N 3.3Å; L28-F47 HydrophobicContact CB-CD1 4.06Å; L28-F47 HydrophobicContact CB-CD2 4.33Å; L28-F47 HydrophobicContact CB-CE1 4.08Å; L28-F47 HydrophobicContact CB-CE2 4.36Å; L28-F47 HydrophobicContact CB-CG 4.18Å; L28-F47 HydrophobicContact CB-CZ 4.23Å; L28-F47 HydrophobicContact CD1-CB 4.22Å; L28-F47 HydrophobicContact CD1-CD2 3.57Å; L28-F47 HydrophobicContact CD1-CE2 4.05Å; L28-F47 HydrophobicContact CD1-CG 3.89Å; L28-F47 HydrophobicContact CD2-CB 4.47Å; L28-F47 HydrophobicContact CG-CD2 4.48Å; L28-F47 HydrophobicContact CG-CG 4.43Å; L28-I50 HydrophobicContact CD2-CG2 4.27Å; L28-E51 HydrophobicContact CD2-CG 3.56Å
29K96.8Very high96.2Very high120 Ų12080.8 Ų80.852%0.52238%0.377SS..Hα-helixtrans-62.6-33177.8-172.8177.2-175.4176.70113.2C24 Y27 K33C24-K29 WeakPolarHBondContact O-CB 3.44Å; C24-K29 PolarHBondContact O-N 3.1Å; Y27-K29 VanDerWaalsContact C-N 3.34Å; Y27-K29 PolarHBondContact O-N 2.84Å; K29-K33 WeakPolarHBondContact O-CG 3.48Å
30Q96.6Very high96.1Very high87 Ų8779.9 Ų79.941%0.40738%0.376SS..Hα-helixtrans-77.9-41.7177.6-53.1-55.1-29.600111E25 G26 Y27 L28 R32 K33E25-Q30 PolarHBondContact O-NE2 2.97Å; G26-Q30 WeakPolarHBondContact O-CG 3.39Å; Y27-Q30 WeakPolarHBondContact O-CA 3.23Å; Y27-Q30 PolarHBondContact O-N 3.23Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 3.38Å; Q30-R32 VanDerWaalsContact C-N 3.33Å; Q30-R32 PolarHBondContact O-N 3.5Å; Q30-K33 WeakPolarHBondContact O-CB 3.46Å; Q30-K33 PolarHBondContact O-N 3.01Å; Q30-K33 VanDerWaalsContact O-N 3.08Å
31C96.1Very high95.9Very high23 Ų2387 Ų8716%0.15541%0.409CS..Hα-helixtrans-60.9-40.3175.7-640000111.9Y27 L28 K33 R34 F38 L43 F47Y27-C31 PolarHBondContact O-N 3.17Å; Y27-C31 PolarHBondContact O-SG 3.41Å; Y27-C31 VanDerWaalsContact O-SG 3.34Å; L28-C31 PolarHBondContact O-N 3.12Å; C31-K33 PolarHBondContact O-N 3.04Å; C31-K33 VanDerWaalsContact O-N 3.16Å; C31-R34 CarbonylContact O-C 3.54Å; C31-R34 WeakPolarHBondContact O-CA 3.33Å; C31-R34 PolarHBondContact O-N 3.33Å; C31-F38 HydrophobicContact CB-CD2 3.83Å; C31-F38 HydrophobicContact CB-CE2 4.09Å; C31-F38 HydrophobicContact CB-CG 4.46Å; C31-L43 HydrophobicContact CB-CD1 4.49Å; C31-L43 HydrophobicContact CB-CD2 3.52Å; C31-F47 HydrophobicContact CB-CE2 4.47Å
32R95.9Very high95.8Very high109 Ų10985.3 Ų85.341%0.41140%0.403SS..THydrogen-bonded Turntrans-58.7-25.2174-77.2176.4171.7161.9-1.3114.3L28 Q30 L43 E51L28-R32 HydrophobicContact CD1-CG 4.16Å; L28-R32 WeakPolarHBondContact O-CB 3.26Å; L28-R32 WeakPolarHBondContact O-CG 3.14Å; L28-R32 PolarHBondContact O-N 3.3Å; Q30-R32 VanDerWaalsContact C-N 3.33Å; Q30-R32 PolarHBondContact O-N 3.5Å; R32-L43 HydrophobicContact CB-CD1 4.42Å; R32-L43 HydrophobicContact CG-CD1 3.72Å; R32-E51 IonicContact CZ-OE1 3.99Å; R32-E51 IonicContact CZ-OE2 2.68Å; R32-E51 VanDerWaalsContact CZ-OE2 3.26Å; R32-E51 IonicContact NH1-OE1 3.26Å; R32-E51 PolarHBondContact NH1-OE1 3.31Å; R32-E51 IonicContact NH1-OE2 2.76Å; R32-E51 PolarHBondContact NH1-OE2 3.05Å; R32-E51 IonicContact NH2-OE1 2.84Å; R32-E51 IonicContact NH2-OE2 2.95Å; R32-E51 PolarHBondContact NH2-OE2 3.37Å
33K95.6Very high95.7Very high131 Ų13182 Ų8257%0.5739%0.385SS*.THydrogen-bonded Turntrans-79.4-21.6174.9-62.9171.5-1721700112.4K29 Q30 C31 R35K29-K33 WeakPolarHBondContact O-CG 3.48Å; Q30-K33 WeakPolarHBondContact O-CB 3.46Å; Q30-K33 PolarHBondContact O-N 3.01Å; Q30-K33 VanDerWaalsContact O-N 3.08Å; C31-K33 PolarHBondContact O-N 3.04Å; C31-K33 VanDerWaalsContact O-N 3.16Å; K33-R35 PolarHBondContact O-N 3.5Å
34R94.3Very high95.7Very high116 Ų11686.7 Ų86.744%0.43840%0.403SS..  trans-10062.3-178.4-64.9-60.5-58.5-84.52110.8C31 D36 M37 F38C31-R34 CarbonylContact O-C 3.54Å; C31-R34 WeakPolarHBondContact O-CA 3.33Å; C31-R34 PolarHBondContact O-N 3.33Å; R34-D36 VanDerWaalsContact C-OD1 3.24Å; R34-D36 VanDerWaalsContact CA-OD1 3.23Å; R34-D36 WeakPolarHBondContact CA-OD1 3.41Å; R34-D36 IonicContact CZ-OD1 3.93Å; R34-D36 IonicContact CZ-OD2 2.76Å; R34-D36 IonicContact NE-OD1 3.91Å; R34-D36 PolarHBondContact NE-OD1 3.32Å; R34-D36 IonicContact NE-OD2 3.9Å; R34-D36 PolarHBondContact NE-OD2 3.36Å; R34-D36 IonicContact NH2-OD1 2.98Å; R34-D36 IonicContact NH2-OD2 3.28Å; R34-D36 PolarHBondContact NH2-OD2 3.04Å; R34-D36 PolarHBondContact O-N 2.76Å; R34-D36 VanDerWaalsContact O-N 3.13Å; R34-M37 HydrophobicContact CB-CB 4.17Å; R34-M37 HydrophobicContact CB-CG 4.24Å; R34-M37 HydrophobicContact CB-SD 4.24Å; R34-M37 HydrophobicContact CG-SD 4.38Å; R34-M37 PolarHBondContact NH1-SD 3.19Å; R34-M37 PolarHBondContact NH2-SD 3.2Å; R34-M37 PolarHBondContact O-N 3.33Å; R34-F38 HydrophobicContact CB-CD2 4.45Å; R34-F38 PolarHBondContact O-N 3.36Å; R34-F38 VanDerWaalsContact O-N 3.08Å
35R90.8Very high95.6Very high187 Ų18788.3 Ų88.371%0.70641%0.413SS*.THydrogen-bonded Turntrans-62.3-16.1176.7-65.4-170.6175.6-141.4-4.9113.3K33 M37K33-R35 PolarHBondContact O-N 3.5Å; R35-M37 VanDerWaalsContact C-N 3.33Å
36D92.9Very high95.7Very high116 Ų11684.6 Ų84.662%0.6240%0.396SS*.THydrogen-bonded Turntrans-73-22.917160.4-56.7000113.3R34R34-D36 VanDerWaalsContact C-OD1 3.24Å; R34-D36 VanDerWaalsContact CA-OD1 3.23Å; R34-D36 WeakPolarHBondContact CA-OD1 3.41Å; R34-D36 IonicContact CZ-OD1 3.93Å; R34-D36 IonicContact CZ-OD2 2.76Å; R34-D36 IonicContact NE-OD1 3.91Å; R34-D36 PolarHBondContact NE-OD1 3.32Å; R34-D36 IonicContact NE-OD2 3.9Å; R34-D36 PolarHBondContact NE-OD2 3.36Å; R34-D36 IonicContact NH2-OD1 2.98Å; R34-D36 IonicContact NH2-OD2 3.28Å; R34-D36 PolarHBondContact NH2-OD2 3.04Å; R34-D36 PolarHBondContact O-N 2.76Å; R34-D36 VanDerWaalsContact O-N 3.13Å
37M93.1Very high95.8Very high95 Ų9583.7 Ų83.747%0.46838%0.38SS..THydrogen-bonded Turntrans-107.3-35.1-176.9-64.7-176.16900113.5R34 R35R34-M37 HydrophobicContact CB-CB 4.17Å; R34-M37 HydrophobicContact CB-CG 4.24Å; R34-M37 HydrophobicContact CB-SD 4.24Å; R34-M37 HydrophobicContact CG-SD 4.38Å; R34-M37 PolarHBondContact NH1-SD 3.19Å; R34-M37 PolarHBondContact NH2-SD 3.2Å; R34-M37 PolarHBondContact O-N 3.33Å; R35-M37 VanDerWaalsContact C-N 3.33Å
38F95.4Very high95.8Very high34 Ų3478 Ų7815%0.14937%0.367CS..  trans-130129-174.6-54.7-76.9000110.7C31 R34 L43 L109C31-F38 HydrophobicContact CB-CD2 3.83Å; C31-F38 HydrophobicContact CB-CE2 4.09Å; C31-F38 HydrophobicContact CB-CG 4.46Å; R34-F38 HydrophobicContact CB-CD2 4.45Å; R34-F38 PolarHBondContact O-N 3.36Å; R34-F38 VanDerWaalsContact O-N 3.08Å; F38-L43 HydrophobicContact CB-CD1 4.3Å; F38-L43 HydrophobicContact CB-CD2 3.62Å; F38-L43 HydrophobicContact CB-CG 3.86Å; F38-L43 HydrophobicContact CD1-CD2 4.37Å; F38-L43 HydrophobicContact CD2-CD2 4.47Å; F38-L43 HydrophobicContact CG-CD2 3.92Å; F38-L109 HydrophobicContact CD1-CD1 4.3Å; F38-L109 HydrophobicContact CE1-CD1 3.77Å; F38-L109 HydrophobicContact CE1-CD2 4.25Å
39S95.3Very high95.8Very high53 Ų5378.2 Ų78.237%0.37137%0.368SS..  trans-75.7156.6167.781.80000110.9E41 Q42 L43S39-E41 PolarHBondContact O-N 3.27Å; S39-E41 PolarHBondContact OG-N 3.5Å; S39-Q42 PolarHBondContact O-N 3.3Å; S39-Q42 WeakPolarHBondContact OG-CG 3.41Å; S39-Q42 PolarHBondContact OG-N 3.2Å; S39-Q42 VanDerWaalsContact OG-N 3.11Å; S39-L43 WeakPolarHBondContact O-CG 3.32Å; S39-L43 PolarHBondContact O-N 3.06Å
40D94.6Very high95.9Very high89 Ų8972.6 Ų72.648%0.47634%0.344SS..Hα-helixtrans-60.2-29.4175.8-71.7-31.4000112K44D40-K44 VanDerWaalsContact O-CG 3.3Å; D40-K44 WeakPolarHBondContact O-CG 3.49Å; D40-K44 PolarHBondContact O-N 3.47Å; D40-K44 VanDerWaalsContact O-N 3.09Å
41E95.3Very high96Very high152 Ų15271.5 Ų71.571%0.7134%0.339SS*.Hα-helixtrans-71-44176-173169.7-160.400111.8S39 L43 K44 V45S39-E41 PolarHBondContact O-N 3.27Å; S39-E41 PolarHBondContact OG-N 3.5Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.02Å; E41-K44 WeakPolarHBondContact O-CB 3.39Å; E41-K44 PolarHBondContact O-N 3.32Å; E41-K44 VanDerWaalsContact O-N 3.17Å; E41-V45 WeakPolarHBondContact O-CG2 3.43Å; E41-V45 PolarHBondContact O-N 2.87Å
42Q96.1Very high96.1Very high49 Ų4974.4 Ų74.423%0.22935%0.353CS..Hα-helixtrans-61-41.7174.4-70.4178.1-60.600111.4S39 K44 V45 I46 E105S39-Q42 PolarHBondContact O-N 3.3Å; S39-Q42 WeakPolarHBondContact OG-CG 3.41Å; S39-Q42 PolarHBondContact OG-N 3.2Å; S39-Q42 VanDerWaalsContact OG-N 3.11Å; Q42-K44 VanDerWaalsContact C-N 3.32Å; Q42-K44 PolarHBondContact O-N 2.88Å; Q42-V45 PolarHBondContact O-N 3.3Å; Q42-I46 WeakPolarHBondContact O-CB 3.45Å; Q42-I46 VanDerWaalsContact O-CG1 3.23Å; Q42-I46 WeakPolarHBondContact O-CG1 3.44Å; Q42-I46 PolarHBondContact O-N 3.43Å; Q42-E105 WeakPolarHBondContact CG-OE1 3.36Å; Q42-E105 PolarHBondContact NE2-OE1 3.4Å
43L97.1Very high96.2Very high8 Ų869.2 Ų69.24%0.04233%0.333CS..Hα-helixtrans-64.1-37.6176.7-63.6-179.6000112.2C31 R32 F38 S39 E41 F47C31-L43 HydrophobicContact CB-CD1 4.49Å; C31-L43 HydrophobicContact CB-CD2 3.52Å; R32-L43 HydrophobicContact CB-CD1 4.42Å; R32-L43 HydrophobicContact CG-CD1 3.72Å; F38-L43 HydrophobicContact CB-CD1 4.3Å; F38-L43 HydrophobicContact CB-CD2 3.62Å; F38-L43 HydrophobicContact CB-CG 3.86Å; F38-L43 HydrophobicContact CD1-CD2 4.37Å; F38-L43 HydrophobicContact CD2-CD2 4.47Å; F38-L43 HydrophobicContact CG-CD2 3.92Å; S39-L43 WeakPolarHBondContact O-CG 3.32Å; S39-L43 PolarHBondContact O-N 3.06Å; E41-L43 VanDerWaalsContact C-N 3.31Å; E41-L43 PolarHBondContact O-N 3.02Å; L43-F47 HydrophobicContact CB-CD2 4.49Å; L43-F47 HydrophobicContact CD2-CD2 4.21Å; L43-F47 HydrophobicContact CD2-CE2 3.86Å; L43-F47 WeakPolarHBondContact O-CB 3.48Å; L43-F47 WeakPolarHBondContact O-CD2 3.32Å; L43-F47 PolarHBondContact O-N 3.46Å
44K96.8Very high96.4Very high153 Ų15364.6 Ų64.667%0.66531%0.313SS*.Hα-helixtrans-63.8-40.9173.9-75.8173.3-177.5-177.80112D40 E41 Q42 G48D40-K44 VanDerWaalsContact O-CG 3.3Å; D40-K44 WeakPolarHBondContact O-CG 3.49Å; D40-K44 PolarHBondContact O-N 3.47Å; D40-K44 VanDerWaalsContact O-N 3.09Å; E41-K44 WeakPolarHBondContact O-CB 3.39Å; E41-K44 PolarHBondContact O-N 3.32Å; E41-K44 VanDerWaalsContact O-N 3.17Å; Q42-K44 VanDerWaalsContact C-N 3.32Å; Q42-K44 PolarHBondContact O-N 2.88Å; K44-G48 WeakPolarHBondContact O-CA 3.45Å; K44-G48 PolarHBondContact O-N 3.42Å
45V97.8Very high96.6Very high41 Ų4167.5 Ų67.525%0.24832%0.324CS..Hα-helixtrans-68.9-47.8177.41750000111.1E41 Q42 F47 N98 D101 A102 E105E41-V45 WeakPolarHBondContact O-CG2 3.43Å; E41-V45 PolarHBondContact O-N 2.87Å; Q42-V45 PolarHBondContact O-N 3.3Å; V45-F47 PolarHBondContact O-N 3.45Å; V45-N98 PolarHBondContact O-ND2 3.24Å; V45-D101 HydrophobicContact CG1-CB 3.93Å; V45-A102 WeakPolarHBondContact O-CB 3.47Å; V45-E105 HydrophobicContact CG1-CB 3.98Å; V45-E105 HydrophobicContact CG1-CG 4.46Å
46I97.9Very high96.9Very high17 Ų1760.1 Ų60.19%0.08730%0.297CS..Hα-helixtrans-65.1-43.3-175.8-67.3165.3000111.8Q42 E105 L106 L109Q42-I46 WeakPolarHBondContact O-CB 3.45Å; Q42-I46 VanDerWaalsContact O-CG1 3.23Å; Q42-I46 WeakPolarHBondContact O-CG1 3.44Å; Q42-I46 PolarHBondContact O-N 3.43Å; I46-E105 HydrophobicContact CD1-CG 4.15Å; I46-E105 HydrophobicContact CG1-CB 4.09Å; I46-E105 HydrophobicContact CG1-CG 3.9Å; I46-L106 HydrophobicContact CD1-CD2 4.38Å; I46-L106 HydrophobicContact CG1-CD2 4.38Å; I46-L106 HydrophobicContact CG1-CG 4.32Å; I46-L106 HydrophobicContact CG2-CD1 4.28Å; I46-L106 HydrophobicContact CG2-CD2 3.79Å; I46-L106 HydrophobicContact CG2-CG 4Å; I46-L109 HydrophobicContact CD1-CD1 3.62Å
47F98.1Very high97.2Very high22 Ų2254.7 Ų54.710%0.09627%0.268CS..Hα-helixtrans-102.9-11.3-172.9-64.6-79.2000113.7I23 L28 C31 L43 V45 N49 I50I23-F47 HydrophobicContact CG2-CD1 3.9Å; I23-F47 HydrophobicContact CG2-CE1 4.04Å; L28-F47 HydrophobicContact CB-CD1 4.06Å; L28-F47 HydrophobicContact CB-CD2 4.33Å; L28-F47 HydrophobicContact CB-CE1 4.08Å; L28-F47 HydrophobicContact CB-CE2 4.36Å; L28-F47 HydrophobicContact CB-CG 4.18Å; L28-F47 HydrophobicContact CB-CZ 4.23Å; L28-F47 HydrophobicContact CD1-CB 4.22Å; L28-F47 HydrophobicContact CD1-CD2 3.57Å; L28-F47 HydrophobicContact CD1-CE2 4.05Å; L28-F47 HydrophobicContact CD1-CG 3.89Å; L28-F47 HydrophobicContact CD2-CB 4.47Å; L28-F47 HydrophobicContact CG-CD2 4.48Å; L28-F47 HydrophobicContact CG-CG 4.43Å; C31-F47 HydrophobicContact CB-CE2 4.47Å; L43-F47 HydrophobicContact CB-CD2 4.49Å; L43-F47 HydrophobicContact CD2-CD2 4.21Å; L43-F47 HydrophobicContact CD2-CE2 3.86Å; L43-F47 WeakPolarHBondContact O-CB 3.48Å; L43-F47 WeakPolarHBondContact O-CD2 3.32Å; L43-F47 PolarHBondContact O-N 3.46Å; V45-F47 PolarHBondContact O-N 3.45Å; F47-N49 PolarHBondContact O-N 2.96Å; F47-I50 HydrophobicContact CB-CG2 3.89Å; F47-I50 HydrophobicContact CD1-CG2 4.46Å; F47-I50 WeakPolarHBondContact O-CB 3.31Å; F47-I50 VanDerWaalsContact O-CG2 3.29Å; F47-I50 WeakPolarHBondContact O-CG2 3.44Å; F47-I50 PolarHBondContact O-N 3.24Å; F47-I50 VanDerWaalsContact O-N 3.09Å
48G98.1Very high97.4Very high31 Ų3154.6 Ų54.632%0.3227%0.267SS..THydrogen-bonded Turntrans51.7-137.9-177.900000112.6K44 I50K44-G48 WeakPolarHBondContact O-CA 3.45Å; K44-G48 PolarHBondContact O-N 3.42Å; G48-I50 VanDerWaalsContact C-N 3.34Å
49N98.3Very high97.6Very high9 Ų953.8 Ų53.85%0.04827%0.269CS..THydrogen-bonded Turntrans-93.731.4173.766.6-13.7000112.9F47 E51 D52 I53 I91 E94 Y95F47-N49 PolarHBondContact O-N 2.96Å; N49-E51 PolarHBondContact O-N 3.44Å; N49-E51 VanDerWaalsContact O-N 3.13Å; N49-D52 HydrophobicContact CB-CB 4.34Å; N49-D52 WeakPolarHBondContact O-CB 3.17Å; N49-D52 PolarHBondContact O-N 3.46Å; N49-I53 PolarHBondContact O-N 3.01Å; N49-I53 VanDerWaalsContact O-N 3.14Å; N49-I91 PolarHBondContact ND2-O 3Å; N49-E94 PolarHBondContact ND2-OE2 2.84Å; N49-Y95 VanDerWaalsContact OD1-CB 3.24Å; N49-Y95 WeakPolarHBondContact OD1-CB 3.36Å; N49-Y95 WeakPolarHBondContact OD1-CD2 3.31Å
50I98.4Very high97.7Very high2 Ų251.3 Ų51.31%0.0125%0.251CS..Hα-helixtrans-58.2-30.4-175.6-163.862.1000113.9L20 I23 L28 F47 G48 D52 I53 Y54 Y95L20-I50 HydrophobicContact CD2-CD1 3.4Å; L20-I50 HydrophobicContact CD2-CG1 4.09Å; I23-I50 HydrophobicContact CG2-CG1 4.05Å; I23-I50 HydrophobicContact CG2-CG2 4.39Å; L28-I50 HydrophobicContact CD2-CG2 4.27Å; F47-I50 HydrophobicContact CB-CG2 3.89Å; F47-I50 HydrophobicContact CD1-CG2 4.46Å; F47-I50 WeakPolarHBondContact O-CB 3.31Å; F47-I50 VanDerWaalsContact O-CG2 3.29Å; F47-I50 WeakPolarHBondContact O-CG2 3.44Å; F47-I50 PolarHBondContact O-N 3.24Å; F47-I50 VanDerWaalsContact O-N 3.09Å; G48-I50 VanDerWaalsContact C-N 3.34Å; I50-D52 VanDerWaalsContact C-N 3.31Å; I50-I53 HydrophobicContact CD1-CB 4.47Å; I50-I53 HydrophobicContact CD1-CD1 4.48Å; I50-I53 PolarHBondContact O-N 3.02Å; I50-Y54 WeakPolarHBondContact O-CB 3.5Å; I50-Y54 PolarHBondContact O-N 2.89Å; I50-Y95 HydrophobicContact CB-CE2 3.98Å; I50-Y95 HydrophobicContact CD1-CD2 4.47Å; I50-Y95 HydrophobicContact CD1-CE2 3.76Å; I50-Y95 HydrophobicContact CG1-CE2 4.37Å
51E98.3Very high97.9Very high64 Ų6447.2 Ų47.230%0.29923%0.23SC..Hα-helixtrans-68.2-32.8176-70.8-175.7119.900111.8L28 R32 N49 Y54 R55L28-E51 HydrophobicContact CD2-CG 3.56Å; R32-E51 IonicContact CZ-OE1 3.99Å; R32-E51 IonicContact CZ-OE2 2.68Å; R32-E51 VanDerWaalsContact CZ-OE2 3.26Å; R32-E51 IonicContact NH1-OE1 3.26Å; R32-E51 PolarHBondContact NH1-OE1 3.31Å; R32-E51 IonicContact NH1-OE2 2.76Å; R32-E51 PolarHBondContact NH1-OE2 3.05Å; R32-E51 IonicContact NH2-OE1 2.84Å; R32-E51 IonicContact NH2-OE2 2.95Å; R32-E51 PolarHBondContact NH2-OE2 3.37Å; N49-E51 PolarHBondContact O-N 3.44Å; N49-E51 VanDerWaalsContact O-N 3.13Å; E51-Y54 PolarHBondContact O-N 2.73Å; E51-R55 VanDerWaalsContact O-CG 3.26Å; E51-R55 WeakPolarHBondContact O-CG 3.45Å; E51-R55 PolarHBondContact O-N 3.3Å
52D98.4Very high98Very high84 Ų8446.4 Ų46.445%0.44922%0.22SC..Hα-helixtrans-72.2-42.6176.1-61.7-36.5000110.3N49 I50 Y54 R55 F56N49-D52 HydrophobicContact CB-CB 4.34Å; N49-D52 WeakPolarHBondContact O-CB 3.17Å; N49-D52 PolarHBondContact O-N 3.46Å; I50-D52 VanDerWaalsContact C-N 3.31Å; D52-Y54 VanDerWaalsContact C-N 3.31Å; D52-Y54 PolarHBondContact O-N 2.93Å; D52-R55 PolarHBondContact O-N 2.83Å; D52-F56 WeakPolarHBondContact O-CB 3.48Å; D52-F56 PolarHBondContact O-N 2.89Å
53I98.7Very high98.1Very high0 Ų045.3 Ų45.30%022%0.216CC..Hα-helixtrans-56.8-46.8170.5-72.1170000110.6L20 N49 I50 R55 F56 Q57 I91 Y92 Y95L20-I53 HydrophobicContact CD1-CG2 3.9Å; L20-I53 HydrophobicContact CD2-CG2 3.89Å; N49-I53 PolarHBondContact O-N 3.01Å; N49-I53 VanDerWaalsContact O-N 3.14Å; I50-I53 HydrophobicContact CD1-CB 4.47Å; I50-I53 HydrophobicContact CD1-CD1 4.48Å; I50-I53 PolarHBondContact O-N 3.02Å; I53-R55 PolarHBondContact O-N 3.34Å; I53-F56 PolarHBondContact O-N 3.14Å; I53-Q57 VanDerWaalsContact O-CB 3.31Å; I53-Q57 WeakPolarHBondContact O-CB 3.37Å; I53-Q57 PolarHBondContact O-N 3.09Å; I53-I91 HydrophobicContact CB-CD1 4.5Å; I53-I91 HydrophobicContact CG1-CD1 3.95Å; I53-I91 HydrophobicContact CG1-CG1 3.96Å; I53-Y92 HydrophobicContact CD1-CD1 4.09Å; I53-Y92 HydrophobicContact CD1-CE1 4.19Å; I53-Y92 HydrophobicContact CD1-CG 4.44Å; I53-Y92 HydrophobicContact CG1-CE1 4.38Å; I53-Y92 HydrophobicContact CG1-CE2 4.4Å; I53-Y92 HydrophobicContact CG2-CE1 3.89Å; I53-Y92 HydrophobicContact CG2-CE2 4.33Å; I53-Y92 WeakPolarHBondContact CG2-OH 3.32Å; I53-Y95 VanDerWaalsContact CD1-CB 3.46Å; I53-Y95 HydrophobicContact CD1-CD1 3.96Å; I53-Y95 HydrophobicContact CD1-CD2 3.78Å; I53-Y95 HydrophobicContact CD1-CG 3.44Å; I53-Y95 VanDerWaalsContact CD1-CG 3.44Å
54Y98.6Very high98.1Very high35 Ų3545 Ų4514%0.13721%0.214CC..Hα-helixtrans-60-46.2179-178.9-135.5000112.5I17 L20 K21 C24 I50 E51 D52 Q57 M58I17-Y54 HydrophobicContact CG2-CE2 4.09Å; L20-Y54 HydrophobicContact CB-CD2 3.47Å; L20-Y54 VanDerWaalsContact CB-CD2 3.47Å; L20-Y54 HydrophobicContact CB-CE2 4.24Å; L20-Y54 HydrophobicContact CB-CG 4.04Å; L20-Y54 HydrophobicContact CD1-CD2 4.31Å; K21-Y54 HydrophobicContact CB-CE1 4.48Å; K21-Y54 HydrophobicContact CB-CE2 3.9Å; K21-Y54 WeakPolarHBondContact CG-OH 3.47Å; C24-Y54 HydrophobicContact CB-CD1 4.33Å; I50-Y54 WeakPolarHBondContact O-CB 3.5Å; I50-Y54 PolarHBondContact O-N 2.89Å; E51-Y54 PolarHBondContact O-N 2.73Å; D52-Y54 VanDerWaalsContact C-N 3.31Å; D52-Y54 PolarHBondContact O-N 2.93Å; Y54-Q57 PolarHBondContact O-N 3.01Å; Y54-M58 HydrophobicContact CD1-SD 4.36Å; Y54-M58 HydrophobicContact CD2-CG 4.12Å; Y54-M58 HydrophobicContact CD2-SD 4.28Å; Y54-M58 HydrophobicContact CE1-SD 3.81Å; Y54-M58 HydrophobicContact CE2-CG 3.76Å; Y54-M58 HydrophobicContact CE2-SD 3.74Å; Y54-M58 VanDerWaalsContact O-CG 3.31Å; Y54-M58 WeakPolarHBondContact O-CG 3.44Å; Y54-M58 PolarHBondContact O-N 3.05Å
55R98.4Very high98Very high176 Ų17641.8 Ų41.866%0.66420%0.202SC*.Hα-helixtrans-62.7-44.9177.4-73172.1-173.9-76.8-1.3112.2E51 D52 I53 G59E51-R55 VanDerWaalsContact O-CG 3.26Å; E51-R55 WeakPolarHBondContact O-CG 3.45Å; E51-R55 PolarHBondContact O-N 3.3Å; D52-R55 PolarHBondContact O-N 2.83Å; I53-R55 PolarHBondContact O-N 3.34Å; R55-G59 PolarHBondContact O-N 2.75Å
56F98.4Very high98Very high32 Ų3246.4 Ų46.414%0.1422%0.218CC..Hα-helixtrans-60.9-49.9176.6167.5-99000110.9D52 I53 M58 G59 F60 H85 F89 I91 Y92D52-F56 WeakPolarHBondContact O-CB 3.48Å; D52-F56 PolarHBondContact O-N 2.89Å; I53-F56 PolarHBondContact O-N 3.14Å; F56-M58 VanDerWaalsContact C-N 3.3Å; F56-M58 PolarHBondContact O-N 3.38Å; F56-G59 WeakPolarHBondContact O-CA 3.24Å; F56-G59 PolarHBondContact O-N 3.3Å; F56-F60 HydrophobicContact CE1-CB 4.45Å; F56-F60 HydrophobicContact CZ-CB 4.41Å; F56-F60 PolarHBondContact O-N 3.18Å; F56-H85 HydrophobicContact CE2-CB 4.06Å; F56-H85 AromaticContact CE2-CD2 3.97Å; F56-H85 HydrophobicContact CZ-CB 4.08Å; F56-F89 AromaticContact CE1-CD1 3.61Å; F56-F89 HydrophobicContact CE1-CD1 3.61Å; F56-F89 HydrophobicContact CE1-CD2 4.49Å; F56-F89 AromaticContact CE1-CE1 3.54Å; F56-F89 HydrophobicContact CE1-CE1 3.54Å; F56-F89 HydrophobicContact CE1-CE2 4.44Å; F56-F89 HydrophobicContact CE1-CG 4.11Å; F56-F89 AromaticContact CE1-CZ 3.97Å; F56-F89 HydrophobicContact CE1-CZ 3.97Å; F56-F89 AromaticContact CZ-CD1 3.85Å; F56-F89 HydrophobicContact CZ-CD1 3.85Å; F56-F89 AromaticContact CZ-CD2 3.89Å; F56-F89 HydrophobicContact CZ-CD2 3.89Å; F56-F89 AromaticContact CZ-CE1 3.82Å; F56-F89 HydrophobicContact CZ-CE1 3.82Å; F56-F89 AromaticContact CZ-CE2 3.87Å; F56-F89 HydrophobicContact CZ-CE2 3.87Å; F56-F89 AromaticContact CZ-CG 3.89Å; F56-F89 HydrophobicContact CZ-CG 3.89Å; F56-F89 AromaticContact CZ-CZ 3.82Å; F56-F89 HydrophobicContact CZ-CZ 3.82Å; F56-I91 HydrophobicContact CB-CD1 3.57Å; F56-I91 HydrophobicContact CD1-CD1 4.16Å; F56-I91 HydrophobicContact CG-CD1 3.88Å; F56-Y92 HydrophobicContact CD1-CE2 4.03Å; F56-Y92 HydrophobicContact CE1-CE2 4.06Å
57Q98.2Very high97.9Very high3 Ų349.6 Ų49.61%0.01423%0.233CC..Hα-helixtrans-61.2-40-177.3-155.564.92200111.8E13 Y16 I17 L20 I53 Y54 G59 F60 V61 Y92E13-Q57 PolarHBondContact OE2-NE2 3.48Å; Y16-Q57 HydrophobicContact CD1-CG 3.71Å; Y16-Q57 HydrophobicContact CE1-CG 3.86Å; I17-Q57 HydrophobicContact CD1-CG 4.4Å; I17-Q57 HydrophobicContact CG1-CB 4.17Å; I17-Q57 HydrophobicContact CG1-CG 3.77Å; L20-Q57 HydrophobicContact CD1-CB 3.78Å; L20-Q57 HydrophobicContact CD1-CG 4.04Å; I53-Q57 VanDerWaalsContact O-CB 3.31Å; I53-Q57 WeakPolarHBondContact O-CB 3.37Å; I53-Q57 PolarHBondContact O-N 3.09Å; Y54-Q57 PolarHBondContact O-N 3.01Å; Q57-G59 VanDerWaalsContact C-N 3.31Å; Q57-G59 PolarHBondContact O-N 3.46Å; Q57-F60 PolarHBondContact O-N 2.79Å; Q57-V61 HydrophobicContact CG-CG2 4.34Å; Q57-V61 WeakPolarHBondContact O-CG2 3.4Å; Q57-V61 PolarHBondContact O-N 3.24Å; Q57-Y92 PolarHBondContact OE1-OH 3.29Å
58M98.2Very high97.8Very high92 Ų9250.4 Ų50.445%0.45324%0.236SC..Hα-helixtrans-57.8-41.6173.6-75.3-17964.900113I17 Y54 F56 R62I17-M58 HydrophobicContact CD1-CG 4.35Å; Y54-M58 HydrophobicContact CD1-SD 4.36Å; Y54-M58 HydrophobicContact CD2-CG 4.12Å; Y54-M58 HydrophobicContact CD2-SD 4.28Å; Y54-M58 HydrophobicContact CE1-SD 3.81Å; Y54-M58 HydrophobicContact CE2-CG 3.76Å; Y54-M58 HydrophobicContact CE2-SD 3.74Å; Y54-M58 VanDerWaalsContact O-CG 3.31Å; Y54-M58 WeakPolarHBondContact O-CG 3.44Å; Y54-M58 PolarHBondContact O-N 3.05Å; F56-M58 VanDerWaalsContact C-N 3.3Å; F56-M58 PolarHBondContact O-N 3.38Å; M58-R62 WeakPolarHBondContact O-CB 3.3Å; M58-R62 PolarHBondContact O-N 3.39Å
59G97.9Very high97.6Very high18 Ų1851.5 Ų51.519%0.18623%0.234CC..Hα-helixtrans-64.9-50.2175.200000111.6R55 F56 Q57 V61 R62 D63R55-G59 PolarHBondContact O-N 2.75Å; F56-G59 WeakPolarHBondContact O-CA 3.24Å; F56-G59 PolarHBondContact O-N 3.3Å; Q57-G59 VanDerWaalsContact C-N 3.31Å; Q57-G59 PolarHBondContact O-N 3.46Å; G59-V61 PolarHBondContact O-N 3.3Å; G59-R62 WeakPolarHBondContact O-CB 3.31Å; G59-R62 PolarHBondContact O-N 2.8Å; G59-D63 PolarHBondContact O-N 2.84Å
60F98.3Very high97.3Very high0 Ų057.1 Ų57.10%026%0.264CS..Hα-helixtrans-58.1-48.4-179.7175.7-112.2000112.6F56 Q57 R62 D63 L64 F82 H85 F89F56-F60 HydrophobicContact CE1-CB 4.45Å; F56-F60 HydrophobicContact CZ-CB 4.41Å; F56-F60 PolarHBondContact O-N 3.18Å; Q57-F60 PolarHBondContact O-N 2.79Å; F60-R62 PolarHBondContact O-N 3.3Å; F60-D63 PolarHBondContact O-N 3.5Å; F60-L64 HydrophobicContact CD1-CD1 3.92Å; F60-L64 HydrophobicContact CE1-CD1 3.32Å; F60-L64 HydrophobicContact CE1-CG 4.09Å; F60-L64 HydrophobicContact CE2-CD1 4.19Å; F60-L64 HydrophobicContact CE2-CD2 4.37Å; F60-L64 HydrophobicContact CE2-CG 4.07Å; F60-L64 HydrophobicContact CZ-CD1 3.47Å; F60-L64 VanDerWaalsContact CZ-CD1 3.47Å; F60-L64 HydrophobicContact CZ-CD2 4.14Å; F60-L64 HydrophobicContact CZ-CG 3.83Å; F60-L64 PolarHBondContact O-N 2.95Å; F60-F82 HydrophobicContact CE1-CE1 4.32Å; F60-F82 HydrophobicContact CE1-CZ 4.45Å; F60-F82 HydrophobicContact CE2-CD1 4.11Å; F60-F82 HydrophobicContact CE2-CD2 4.49Å; F60-F82 HydrophobicContact CE2-CE1 4.29Å; F60-F82 HydrophobicContact CE2-CG 4.23Å; F60-F82 AromaticContact CZ-CD1 3.76Å; F60-F82 HydrophobicContact CZ-CD1 3.76Å; F60-F82 HydrophobicContact CZ-CD2 4.31Å; F60-F82 AromaticContact CZ-CE1 3.48Å; F60-F82 HydrophobicContact CZ-CE1 3.48Å; F60-F82 VanDerWaalsContact CZ-CE1 3.48Å; F60-F82 HydrophobicContact CZ-CE2 4.05Å; F60-F82 HydrophobicContact CZ-CG 4.18Å; F60-F82 AromaticContact CZ-CZ 3.63Å; F60-F82 HydrophobicContact CZ-CZ 3.63Å; F60-H85 HydrophobicContact CD2-CB 3.89Å; F60-H85 AromaticContact CD2-CG 3.74Å; F60-H85 AromaticContact CD2-ND1 3.99Å; F60-H85 HydrophobicContact CE2-CB 4.44Å; F60-F89 HydrophobicContact CD1-CZ 4.38Å; F60-F89 HydrophobicContact CD2-CZ 4.17Å; F60-F89 HydrophobicContact CE1-CZ 4.17Å; F60-F89 HydrophobicContact CE2-CE2 4.37Å; F60-F89 AromaticContact CE2-CZ 3.97Å; F60-F89 HydrophobicContact CE2-CZ 3.97Å; F60-F89 HydrophobicContact CG-CZ 4.37Å; F60-F89 AromaticContact CZ-CZ 3.97Å; F60-F89 HydrophobicContact CZ-CZ 3.97Å
61V98.1Very high97.1Very high4 Ų464 Ų642%0.02430%0.301CS..Hα-helixtrans-67.4-38.8179.71760000112.1E13 R14 I17 Q57 G59 D63 L64 E65E13-V61 HydrophobicContact CB-CG2 3.78Å; R14-V61 HydrophobicContact CG-CG1 4.3Å; I17-V61 HydrophobicContact CD1-CB 3.44Å; I17-V61 VanDerWaalsContact CD1-CB 3.44Å; I17-V61 HydrophobicContact CD1-CG1 3.94Å; I17-V61 HydrophobicContact CD1-CG2 3.37Å; I17-V61 HydrophobicContact CG1-CG2 4.02Å; Q57-V61 HydrophobicContact CG-CG2 4.34Å; Q57-V61 WeakPolarHBondContact O-CG2 3.4Å; Q57-V61 PolarHBondContact O-N 3.24Å; G59-V61 PolarHBondContact O-N 3.3Å; V61-D63 PolarHBondContact O-N 3.28Å; V61-L64 WeakPolarHBondContact O-CB 3.24Å; V61-L64 PolarHBondContact O-N 3.44Å; V61-E65 HydrophobicContact CG1-CG 4.28Å; V61-E65 WeakPolarHBondContact O-CB 3.36Å; V61-E65 VanDerWaalsContact O-CG 3.31Å; V61-E65 WeakPolarHBondContact O-CG 3.49Å; V61-E65 PolarHBondContact O-N 3.11Å
62R97.9Very high97Very high135 Ų13564.2 Ų64.251%0.50930%0.304SS..Hα-helixtrans-57.8-41174179.6-161.967.9-159.4-7.8110.9M58 G59 F60 E65 K66M58-R62 WeakPolarHBondContact O-CB 3.3Å; M58-R62 PolarHBondContact O-N 3.39Å; G59-R62 WeakPolarHBondContact O-CB 3.31Å; G59-R62 PolarHBondContact O-N 2.8Å; F60-R62 PolarHBondContact O-N 3.3Å; R62-E65 PolarHBondContact O-N 3.07Å; R62-K66 WeakPolarHBondContact O-CG 3.32Å; R62-K66 PolarHBondContact O-N 3.3Å
63D97.8Very high96.9Very high26 Ų2661.2 Ų61.214%0.13929%0.289CS..Hα-helixtrans-78.7-31-177.7-63.5-24.7000111.7G59 F60 V61 K66 Q67 H85G59-D63 PolarHBondContact O-N 2.84Å; F60-D63 PolarHBondContact O-N 3.5Å; V61-D63 PolarHBondContact O-N 3.28Å; D63-K66 PolarHBondContact O-N 3.43Å; D63-K66 WeakPolarHBondContact OD1-CE 3.38Å; D63-K66 IonicContact OD1-NZ 3.45Å; D63-K66 PolarHBondContact OD1-NZ 3.36Å; D63-Q67 PolarHBondContact O-N 2.85Å; D63-H85 IonicContact OD2-CE1 3.68Å; D63-H85 IonicContact OD2-NE2 3.64Å
64L96.9Very high96.7Very high0 Ų065.4 Ų65.40%031%0.308CS..Hα-helixtrans-60.8-44.3165.3-79.2177.9000112.5M10 E13 F60 V61 K66 Q67 Y68 I78 C81 F82M10-L64 HydrophobicContact CE-CB 4.19Å; M10-L64 HydrophobicContact SD-CB 3.98Å; E13-L64 HydrophobicContact CG-CD1 4.18Å; F60-L64 HydrophobicContact CD1-CD1 3.92Å; F60-L64 HydrophobicContact CE1-CD1 3.32Å; F60-L64 HydrophobicContact CE1-CG 4.09Å; F60-L64 HydrophobicContact CE2-CD1 4.19Å; F60-L64 HydrophobicContact CE2-CD2 4.37Å; F60-L64 HydrophobicContact CE2-CG 4.07Å; F60-L64 HydrophobicContact CZ-CD1 3.47Å; F60-L64 VanDerWaalsContact CZ-CD1 3.47Å; F60-L64 HydrophobicContact CZ-CD2 4.14Å; F60-L64 HydrophobicContact CZ-CG 3.83Å; F60-L64 PolarHBondContact O-N 2.95Å; V61-L64 WeakPolarHBondContact O-CB 3.24Å; V61-L64 PolarHBondContact O-N 3.44Å; L64-K66 PolarHBondContact O-N 3.32Å; L64-Q67 PolarHBondContact O-N 3.29Å; L64-Y68 PolarHBondContact O-N 2.87Å; L64-Y68 VanDerWaalsContact O-N 3.11Å; L64-I78 HydrophobicContact CD2-CB 3.81Å; L64-I78 HydrophobicContact CD2-CG2 4.13Å; L64-C81 HydrophobicContact CD2-CB 3.97Å; L64-F82 HydrophobicContact CD2-CD2 4.46Å; L64-F82 HydrophobicContact CD2-CE2 3.92Å
65E96.3Very high96.6Very high87 Ų8768.3 Ų68.341%0.40733%0.326SS..Hα-helixtrans-63-30179.5-76.2179.7158.300112.2M10 R14 V61 R62 Q67 Y68M10-E65 HydrophobicContact CE-CB 4.14Å; M10-E65 HydrophobicContact CE-CG 3.37Å; R14-E65 IonicContact CZ-OE1 2.77Å; R14-E65 IonicContact NH1-OE1 2.73Å; R14-E65 PolarHBondContact NH1-OE1 3.05Å; V61-E65 HydrophobicContact CG1-CG 4.28Å; V61-E65 WeakPolarHBondContact O-CB 3.36Å; V61-E65 VanDerWaalsContact O-CG 3.31Å; V61-E65 WeakPolarHBondContact O-CG 3.49Å; V61-E65 PolarHBondContact O-N 3.11Å; R62-E65 PolarHBondContact O-N 3.07Å; E65-Q67 VanDerWaalsContact C-N 3.35Å; E65-Y68 PolarHBondContact O-N 3.46Å
66K96.4Very high96.6Very high137 Ų13760 Ų6060%0.59630%0.295SS*.Hα-helixtrans-68.6-32.1172.9-69.6171.3-173.2164.30113.1R62 D63 L64R62-K66 WeakPolarHBondContact O-CG 3.32Å; R62-K66 PolarHBondContact O-N 3.3Å; D63-K66 PolarHBondContact O-N 3.43Å; D63-K66 WeakPolarHBondContact OD1-CE 3.38Å; D63-K66 IonicContact OD1-NZ 3.45Å; D63-K66 PolarHBondContact OD1-NZ 3.36Å; L64-K66 PolarHBondContact O-N 3.32Å
67Q95.5Very high96.4Very high85 Ų8564.8 Ų64.840%0.39732%0.318SS..Hα-helixtrans-86.8-8.7179.2-57.3-54.9-29.400112.9D63 L64 E65 S76 I78D63-Q67 PolarHBondContact O-N 2.85Å; L64-Q67 PolarHBondContact O-N 3.29Å; E65-Q67 VanDerWaalsContact C-N 3.35Å; Q67-S76 WeakPolarHBondContact O-CB 3.49Å; Q67-I78 HydrophobicContact CB-CG2 4.43Å
68Y95.8Very high96.3Very high39 Ų3965.4 Ų65.415%0.15332%0.321CS..  trans-79.3122.4-178.9-177.6-106.2000111.5I6 N7 M10 L64 E65 N70 P73I6-Y68 HydrophobicContact CG2-CD2 3.72Å; I6-Y68 HydrophobicContact CG2-CE2 3.74Å; N7-Y68 WeakPolarHBondContact OD1-CE2 3.39Å; N7-Y68 PolarHBondContact OD1-OH 2.77Å; M10-Y68 HydrophobicContact CE-CG 4.41Å; M10-Y68 HydrophobicContact CG-CD2 3.69Å; M10-Y68 HydrophobicContact CG-CE2 4.02Å; M10-Y68 HydrophobicContact CG-CG 4.24Å; M10-Y68 HydrophobicContact SD-CD2 4.4Å; L64-Y68 PolarHBondContact O-N 2.87Å; L64-Y68 VanDerWaalsContact O-N 3.11Å; E65-Y68 PolarHBondContact O-N 3.46Å; Y68-N70 HydrophobicContact CE1-CB 4.4Å; Y68-N70 VanDerWaalsContact CE1-OD1 3.3Å; Y68-N70 WeakPolarHBondContact CE1-OD1 3.28Å; Y68-P73 HydrophobicContact CE2-CB 4.01Å; Y68-P73 HydrophobicContact CE2-CG 4.41Å
69N95.3Very high96.2Very high54 Ų5463 Ų6329%0.28932%0.319SS..  trans-90.8113.6172.7-174.9-25.3000109.5D71 D72 P73 S76N69-D71 PolarHBondContact OD1-N 2.6Å; N69-D72 WeakPolarHBondContact CB-O 3.4Å; N69-D72 CarbonylContact O-C 3.43Å; N69-D72 PolarHBondContact OD1-N 3.42Å; N69-P73 VanDerWaalsContact O-CA 3.24Å; N69-P73 WeakPolarHBondContact O-CA 3.45Å; N69-S76 PolarHBondContact N-OG 3.4Å
70N92Very high96.2Very high127 Ų12765 Ų6568%0.67933%0.329SS*.SBendtrans-70.7-34.1-178.2-69.4-78.9000113Y68Y68-N70 HydrophobicContact CE1-CB 4.4Å; Y68-N70 VanDerWaalsContact CE1-OD1 3.3Å; Y68-N70 WeakPolarHBondContact CE1-OD1 3.28Å
71D94.7Very high96.1Very high146 Ų14665.1 Ų65.178%0.78133%0.33SS*.SBendtrans-79.2-42.4-178-60.8-41.6000110.3N69N69-D71 PolarHBondContact OD1-N 2.6Å
72D96Very high96.1Very high69 Ų6968.5 Ų68.537%0.36934%0.344SS..  trans-128.278.3-179-70.6-67.6000111.7N69 H74 L75N69-D72 WeakPolarHBondContact CB-O 3.4Å; N69-D72 CarbonylContact O-C 3.43Å; N69-D72 PolarHBondContact OD1-N 3.42Å; D72-H74 PolarHBondContact O-N 3.4Å; D72-H74 IonicContact OD1-CE1 3.34Å; D72-H74 PolarHBondContact OD1-CE1 3.11Å; D72-H74 IonicContact OD1-ND1 3.92Å; D72-L75 HydrophobicContact CB-CB 4.22Å; D72-L75 HydrophobicContact CB-CD1 3.72Å; D72-L75 HydrophobicContact CB-CG 3.92Å; D72-L75 WeakPolarHBondContact O-CB 3.43Å; D72-L75 PolarHBondContact O-N 2.83Å
73P95.2Very high96.1Very high20 Ų2067.5 Ų67.513%0.1335%0.349CS..G310 helixtrans-55.5-32.4-177.5-29.535.6000113.7A3 I6 Y68 N69 L75 S76A3-P73 HydrophobicContact CB-CB 4.03Å; I6-P73 WeakPolarHBondContact CD1-O 3.35Å; Y68-P73 HydrophobicContact CE2-CB 4.01Å; Y68-P73 HydrophobicContact CE2-CG 4.41Å; N69-P73 VanDerWaalsContact O-CA 3.24Å; N69-P73 WeakPolarHBondContact O-CA 3.45Å; P73-L75 PolarHBondContact O-N 2.92Å; P73-S76 WeakPolarHBondContact O-CB 3.29Å; P73-S76 PolarHBondContact O-N 3.16Å; P73-S76 VanDerWaalsContact O-N 3.12Å; P73-S76 PolarHBondContact O-OG 3.31Å
74H95.1Very high96.1Very high88 Ų8873.2 Ų73.241%0.40738%0.375SS..G310 helixtrans-69-5.3176.675.4-78.6000114.7R2 A3 D72R2-H74 HydrophobicContact CB-CB 4.45Å; R2-H74 WeakPolarHBondContact CD-O 3.4Å; R2-H74 PolarHBondContact NH1-O 3.26Å; A3-H74 HydrophobicContact CB-CB 4.11Å; D72-H74 PolarHBondContact O-N 3.4Å; D72-H74 IonicContact OD1-CE1 3.34Å; D72-H74 PolarHBondContact OD1-CE1 3.11Å; D72-H74 IonicContact OD1-ND1 3.92Å
75L96.8Very high96.1Very high96 Ų9674.7 Ų74.750%0.50338%0.381SS..G310 helixtrans-101.8-5.7171.6-62.3-179.8000112.8D72 P73 E77D72-L75 HydrophobicContact CB-CB 4.22Å; D72-L75 HydrophobicContact CB-CD1 3.72Å; D72-L75 HydrophobicContact CB-CG 3.92Å; D72-L75 WeakPolarHBondContact O-CB 3.43Å; D72-L75 PolarHBondContact O-N 2.83Å; P73-L75 PolarHBondContact O-N 2.92Å; L75-E77 PolarHBondContact O-N 3.4Å
76S96.8Very high96.1Very high2 Ų276.2 Ų76.21%0.01439%0.388CS..  trans-60.8133.6-179.2-45.40000111.9R2 Q67 N69 P73R2-S76 VanDerWaalsContact CZ-O 3.28Å; R2-S76 PolarHBondContact NH1-O 3.49Å; R2-S76 PolarHBondContact NH2-O 3.46Å; Q67-S76 WeakPolarHBondContact O-CB 3.49Å; N69-S76 PolarHBondContact N-OG 3.4Å; P73-S76 WeakPolarHBondContact O-CB 3.29Å; P73-S76 PolarHBondContact O-N 3.16Å; P73-S76 VanDerWaalsContact O-N 3.12Å; P73-S76 PolarHBondContact O-OG 3.31Å
77E95.6Very high96.1Very high133 Ų13375.6 Ų75.662%0.62139%0.392SS*.  trans-104.470.5-178.5-66-172-178.800111L75 P80L75-E77 PolarHBondContact O-N 3.4Å; E77-P80 WeakPolarHBondContact O-CD 3.28Å
78I95.9Very high96.2Very high16 Ų1672.6 Ų72.68%0.08238%0.383CS..  trans-80.3-17.6-175.164.8174.4000113.9I6 I9 L64 Q67 C81 F82I6-I78 HydrophobicContact CG1-CD1 4.21Å; I9-I78 HydrophobicContact CD1-CD1 3.75Å; I9-I78 HydrophobicContact CG2-CD1 4.42Å; L64-I78 HydrophobicContact CD2-CB 3.81Å; L64-I78 HydrophobicContact CD2-CG2 4.13Å; Q67-I78 HydrophobicContact CB-CG2 4.43Å; I78-C81 VanDerWaalsContact O-CB 3.26Å; I78-C81 WeakPolarHBondContact O-CB 3.3Å; I78-C81 PolarHBondContact O-N 3.21Å; I78-F82 HydrophobicContact CD1-CE2 4.34Å; I78-F82 HydrophobicContact CG1-CE2 4.43Å; I78-F82 VanDerWaalsContact O-CD2 3.31Å; I78-F82 WeakPolarHBondContact O-CD2 3.21Å
79G96.4Very high96.3Very high40 Ų4073.8 Ų73.841%0.41239%0.389SS..Hα-helixtrans-57.8-49.4-176.500000114.6C81 F82 L83G79-C81 PolarHBondContact O-N 3.42Å; G79-F82 PolarHBondContact O-N 3.42Å; G79-F82 VanDerWaalsContact O-N 3.07Å; G79-L83 PolarHBondContact O-N 2.95Å
80P96.9Very high96.4Very high62 Ų6279.2 Ų79.240%0.40341%0.406SS..Hα-helixtrans-53.8-37.1174.8-28.936.4000113.6E77 F82 L83 E84E77-P80 WeakPolarHBondContact O-CD 3.28Å; P80-F82 VanDerWaalsContact C-N 3.29Å; P80-F82 PolarHBondContact O-N 3.1Å; P80-L83 PolarHBondContact O-N 3.19Å; P80-L83 VanDerWaalsContact O-N 3.09Å; P80-E84 WeakPolarHBondContact O-CG 3.37Å; P80-E84 PolarHBondContact O-N 2.97Å
81C96.9Very high96.6Very high2 Ų274 Ų741%0.01438%0.378CS..Hα-helixtrans-59.4-39.1177.7-170.40000112.2L64 I78 G79 H85L64-C81 HydrophobicContact CD2-CB 3.97Å; I78-C81 VanDerWaalsContact O-CB 3.26Å; I78-C81 WeakPolarHBondContact O-CB 3.3Å; I78-C81 PolarHBondContact O-N 3.21Å; G79-C81 PolarHBondContact O-N 3.42Å; C81-H85 PolarHBondContact O-N 3.29Å; C81-H85 PolarHBondContact O-ND1 3.42Å
82F97.7Very high96.8Very high74 Ų7469.4 Ų69.433%0.32535%0.35SS..Hα-helixtrans-68-38.5175.6-74-96.1000112.2I9 F60 L64 I78 G79 P80 H85 Q86 F89I9-F82 HydrophobicContact CG2-CZ 4.48Å; F60-F82 HydrophobicContact CE1-CE1 4.32Å; F60-F82 HydrophobicContact CE1-CZ 4.45Å; F60-F82 HydrophobicContact CE2-CD1 4.11Å; F60-F82 HydrophobicContact CE2-CD2 4.49Å; F60-F82 HydrophobicContact CE2-CE1 4.29Å; F60-F82 HydrophobicContact CE2-CG 4.23Å; F60-F82 AromaticContact CZ-CD1 3.76Å; F60-F82 HydrophobicContact CZ-CD1 3.76Å; F60-F82 HydrophobicContact CZ-CD2 4.31Å; F60-F82 AromaticContact CZ-CE1 3.48Å; F60-F82 HydrophobicContact CZ-CE1 3.48Å; F60-F82 VanDerWaalsContact CZ-CE1 3.48Å; F60-F82 HydrophobicContact CZ-CE2 4.05Å; F60-F82 HydrophobicContact CZ-CG 4.18Å; F60-F82 AromaticContact CZ-CZ 3.63Å; F60-F82 HydrophobicContact CZ-CZ 3.63Å; L64-F82 HydrophobicContact CD2-CD2 4.46Å; L64-F82 HydrophobicContact CD2-CE2 3.92Å; I78-F82 HydrophobicContact CD1-CE2 4.34Å; I78-F82 HydrophobicContact CG1-CE2 4.43Å; I78-F82 VanDerWaalsContact O-CD2 3.31Å; I78-F82 WeakPolarHBondContact O-CD2 3.21Å; G79-F82 PolarHBondContact O-N 3.42Å; G79-F82 VanDerWaalsContact O-N 3.07Å; P80-F82 VanDerWaalsContact C-N 3.29Å; P80-F82 PolarHBondContact O-N 3.1Å; F82-H85 CarbonylContact O-C 3.58Å; F82-H85 PolarHBondContact O-N 3.14Å; F82-Q86 WeakPolarHBondContact O-CA 3.44Å; F82-Q86 PolarHBondContact O-N 3.36Å; F82-F89 HydrophobicContact CD1-CZ 4.46Å
83L97.9Very high96.9Very high115 Ų11569.6 Ų69.660%0.60236%0.357SS*.Hα-helixtrans-67.9-39.5178.5-64176.5000111.8G79 P80 H85 Q86G79-L83 PolarHBondContact O-N 2.95Å; P80-L83 PolarHBondContact O-N 3.19Å; P80-L83 VanDerWaalsContact O-N 3.09Å; L83-H85 VanDerWaalsContact C-N 3.27Å; L83-H85 PolarHBondContact O-N 3.21Å; L83-Q86 WeakPolarHBondContact O-CB 3.26Å; L83-Q86 VanDerWaalsContact O-CG 3.3Å; L83-Q86 WeakPolarHBondContact O-CG 3.48Å; L83-Q86 PolarHBondContact O-N 3Å; L83-Q86 PolarHBondContact O-NE2 3.35Å
84E97.6Very high96.9Very high146 Ų14673.4 Ų73.468%0.68237%0.373SS*.Hα-helixtrans-63.2-34.3175.5-72.8174.2179.500112.2P80P80-E84 WeakPolarHBondContact O-CG 3.37Å; P80-E84 PolarHBondContact O-N 2.97Å
85H97.8Very high97.1Very high31 Ų3172.1 Ų72.114%0.14437%0.365CS..THydrogen-bonded Turntrans-97.63-177.8-68.180.2000113.8F56 F60 D63 C81 F82 L83 D87 G88 F89F56-H85 HydrophobicContact CE2-CB 4.06Å; F56-H85 AromaticContact CE2-CD2 3.97Å; F56-H85 HydrophobicContact CZ-CB 4.08Å; F60-H85 HydrophobicContact CD2-CB 3.89Å; F60-H85 AromaticContact CD2-CG 3.74Å; F60-H85 AromaticContact CD2-ND1 3.99Å; F60-H85 HydrophobicContact CE2-CB 4.44Å; D63-H85 IonicContact OD2-CE1 3.68Å; D63-H85 IonicContact OD2-NE2 3.64Å; C81-H85 PolarHBondContact O-N 3.29Å; C81-H85 PolarHBondContact O-ND1 3.42Å; F82-H85 CarbonylContact O-C 3.58Å; F82-H85 PolarHBondContact O-N 3.14Å; L83-H85 VanDerWaalsContact C-N 3.27Å; L83-H85 PolarHBondContact O-N 3.21Å; H85-D87 VanDerWaalsContact C-N 3.27Å; H85-D87 PolarHBondContact O-N 3.42Å; H85-G88 WeakPolarHBondContact O-CA 3.45Å; H85-G88 PolarHBondContact O-N 3.23Å; H85-F89 HydrophobicContact CB-CE2 4.07Å; H85-F89 VanDerWaalsContact O-CD2 3.26Å; H85-F89 WeakPolarHBondContact O-CD2 3.49Å; H85-F89 PolarHBondContact O-N 2.86Å
86Q96.8Very high97.1Very high118 Ų11871.3 Ų71.355%0.55137%0.366SS*.THydrogen-bonded Turntrans-53.4-43.9-170.473.4-171.7-63.500112.7F82 L83 F89F82-Q86 WeakPolarHBondContact O-CA 3.44Å; F82-Q86 PolarHBondContact O-N 3.36Å; L83-Q86 WeakPolarHBondContact O-CB 3.26Å; L83-Q86 VanDerWaalsContact O-CG 3.3Å; L83-Q86 WeakPolarHBondContact O-CG 3.48Å; L83-Q86 PolarHBondContact O-N 3Å; L83-Q86 PolarHBondContact O-NE2 3.35Å; Q86-F89 PolarHBondContact O-N 3.18Å
87D96.4Very high97.2Very high125 Ų12577.1 Ų77.167%0.66840%0.397SS*.G310 helixtrans-66.7-43.3-179.9-67.8-26000109.2H85 F89 W90H85-D87 VanDerWaalsContact C-N 3.27Å; H85-D87 PolarHBondContact O-N 3.42Å; D87-F89 PolarHBondContact O-N 3.16Å; D87-W90 VanDerWaalsContact O-CB 3.28Å; D87-W90 WeakPolarHBondContact O-CB 3.39Å; D87-W90 VanDerWaalsContact O-CG 3.32Å; D87-W90 PolarHBondContact O-N 3.4Å
88G96.6Very high97.3Very high21 Ų2172.5 Ų72.522%0.21638%0.377CS..G310 helixtrans-57.7-23.3-178.400000114.8H85 W90 I91H85-G88 WeakPolarHBondContact O-CA 3.45Å; H85-G88 PolarHBondContact O-N 3.23Å; G88-W90 PolarHBondContact O-N 2.94Å; G88-I91 WeakPolarHBondContact O-CG1 3.28Å
89F97.6Very high97.3Very high64 Ų6476.8 Ų76.828%0.28140%0.396SS..G310 helixtrans-68-11.3173.1-70.3-76.4000113.9F56 F60 F82 H85 Q86 D87 I91 Y92F56-F89 AromaticContact CE1-CD1 3.61Å; F56-F89 HydrophobicContact CE1-CD1 3.61Å; F56-F89 HydrophobicContact CE1-CD2 4.49Å; F56-F89 AromaticContact CE1-CE1 3.54Å; F56-F89 HydrophobicContact CE1-CE1 3.54Å; F56-F89 HydrophobicContact CE1-CE2 4.44Å; F56-F89 HydrophobicContact CE1-CG 4.11Å; F56-F89 AromaticContact CE1-CZ 3.97Å; F56-F89 HydrophobicContact CE1-CZ 3.97Å; F56-F89 AromaticContact CZ-CD1 3.85Å; F56-F89 HydrophobicContact CZ-CD1 3.85Å; F56-F89 AromaticContact CZ-CD2 3.89Å; F56-F89 HydrophobicContact CZ-CD2 3.89Å; F56-F89 AromaticContact CZ-CE1 3.82Å; F56-F89 HydrophobicContact CZ-CE1 3.82Å; F56-F89 AromaticContact CZ-CE2 3.87Å; F56-F89 HydrophobicContact CZ-CE2 3.87Å; F56-F89 AromaticContact CZ-CG 3.89Å; F56-F89 HydrophobicContact CZ-CG 3.89Å; F56-F89 AromaticContact CZ-CZ 3.82Å; F56-F89 HydrophobicContact CZ-CZ 3.82Å; F60-F89 HydrophobicContact CD1-CZ 4.38Å; F60-F89 HydrophobicContact CD2-CZ 4.17Å; F60-F89 HydrophobicContact CE1-CZ 4.17Å; F60-F89 HydrophobicContact CE2-CE2 4.37Å; F60-F89 AromaticContact CE2-CZ 3.97Å; F60-F89 HydrophobicContact CE2-CZ 3.97Å; F60-F89 HydrophobicContact CG-CZ 4.37Å; F60-F89 AromaticContact CZ-CZ 3.97Å; F60-F89 HydrophobicContact CZ-CZ 3.97Å; F82-F89 HydrophobicContact CD1-CZ 4.46Å; H85-F89 HydrophobicContact CB-CE2 4.07Å; H85-F89 VanDerWaalsContact O-CD2 3.26Å; H85-F89 WeakPolarHBondContact O-CD2 3.49Å; H85-F89 PolarHBondContact O-N 2.86Å; Q86-F89 PolarHBondContact O-N 3.18Å; D87-F89 PolarHBondContact O-N 3.16Å; F89-I91 PolarHBondContact O-N 3.07Å; F89-I91 VanDerWaalsContact O-N 3.16Å; F89-Y92 HydrophobicContact CD1-CD2 4.2Å; F89-Y92 AromaticContact CD1-CE2 3.96Å; F89-Y92 HydrophobicContact CD1-CE2 3.96Å; F89-Y92 WeakPolarHBondContact O-CB 3.34Å; F89-Y92 WeakPolarHBondContact O-CD2 3.13Å; F89-Y92 PolarHBondContact O-N 2.87Å; F89-Y92 VanDerWaalsContact O-N 3.16Å
90W97.1Very high97.3Very high168 Ų16880.2 Ų80.264%0.63640%0.404SS*.G310 helixtrans-58-30.7179.177.6-112.5000112.6D87 G88 Y92 S93D87-W90 VanDerWaalsContact O-CB 3.28Å; D87-W90 WeakPolarHBondContact O-CB 3.39Å; D87-W90 VanDerWaalsContact O-CG 3.32Å; D87-W90 PolarHBondContact O-N 3.4Å; G88-W90 PolarHBondContact O-N 2.94Å; W90-Y92 PolarHBondContact O-N 3.32Å; W90-Y92 VanDerWaalsContact O-N 3.11Å; W90-S93 WeakPolarHBondContact O-CB 3.24Å; W90-S93 PolarHBondContact O-N 2.92Å
91I97.6Very high97.4Very high18 Ų1881.2 Ų81.29%0.09241%0.407CS..Hα-helixtrans-60.3-24-17967.5-174.6000113N49 I53 F56 G88 F89 S93 E94 Y95N49-I91 PolarHBondContact ND2-O 3Å; I53-I91 HydrophobicContact CB-CD1 4.5Å; I53-I91 HydrophobicContact CG1-CD1 3.95Å; I53-I91 HydrophobicContact CG1-CG1 3.96Å; F56-I91 HydrophobicContact CB-CD1 3.57Å; F56-I91 HydrophobicContact CD1-CD1 4.16Å; F56-I91 HydrophobicContact CG-CD1 3.88Å; G88-I91 WeakPolarHBondContact O-CG1 3.28Å; F89-I91 PolarHBondContact O-N 3.07Å; F89-I91 VanDerWaalsContact O-N 3.16Å; I91-S93 VanDerWaalsContact C-N 3.25Å; I91-S93 PolarHBondContact O-N 2.65Å; I91-E94 PolarHBondContact O-N 3.35Å; I91-Y95 PolarHBondContact O-N 3.03Å
92Y97.9Very high97.4Very high50 Ų5081.5 Ų81.520%0.19641%0.409CS..Hα-helixtrans-68.6-25.8175.3-75.5-96.2000112.3Y16 I53 F56 Q57 F89 W90 Y95 C96Y16-Y92 VanDerWaalsContact CE1-OH 3.32Å; Y16-Y92 WeakPolarHBondContact CE1-OH 3.48Å; Y16-Y92 WeakPolarHBondContact OH-CE1 3.36Å; Y16-Y92 PolarHBondContact OH-OH 3.41Å; I53-Y92 HydrophobicContact CD1-CD1 4.09Å; I53-Y92 HydrophobicContact CD1-CE1 4.19Å; I53-Y92 HydrophobicContact CD1-CG 4.44Å; I53-Y92 HydrophobicContact CG1-CE1 4.38Å; I53-Y92 HydrophobicContact CG1-CE2 4.4Å; I53-Y92 HydrophobicContact CG2-CE1 3.89Å; I53-Y92 HydrophobicContact CG2-CE2 4.33Å; I53-Y92 WeakPolarHBondContact CG2-OH 3.32Å; F56-Y92 HydrophobicContact CD1-CE2 4.03Å; F56-Y92 HydrophobicContact CE1-CE2 4.06Å; Q57-Y92 PolarHBondContact OE1-OH 3.29Å; F89-Y92 HydrophobicContact CD1-CD2 4.2Å; F89-Y92 AromaticContact CD1-CE2 3.96Å; F89-Y92 HydrophobicContact CD1-CE2 3.96Å; F89-Y92 WeakPolarHBondContact O-CB 3.34Å; F89-Y92 WeakPolarHBondContact O-CD2 3.13Å; F89-Y92 PolarHBondContact O-N 2.87Å; F89-Y92 VanDerWaalsContact O-N 3.16Å; W90-Y92 PolarHBondContact O-N 3.32Å; W90-Y92 VanDerWaalsContact O-N 3.11Å; Y92-Y95 PolarHBondContact O-N 2.93Å; Y92-C96 VanDerWaalsContact O-CB 3.29Å; Y92-C96 WeakPolarHBondContact O-CB 3.26Å; Y92-C96 PolarHBondContact O-N 2.98Å; Y92-C96 PolarHBondContact O-SG 3.32Å
93S97.9Very high97.4Very high73 Ų7380.4 Ų80.451%0.5141%0.41SS..Hα-helixtrans-61.9-47.1175.3-172.30000110.7W90 I91 C96 N97W90-S93 WeakPolarHBondContact O-CB 3.24Å; W90-S93 PolarHBondContact O-N 2.92Å; I91-S93 VanDerWaalsContact C-N 3.25Å; I91-S93 PolarHBondContact O-N 2.65Å; S93-C96 PolarHBondContact O-N 2.83Å; S93-N97 VanDerWaalsContact O-CB 3.3Å; S93-N97 WeakPolarHBondContact O-CB 3.26Å; S93-N97 PolarHBondContact O-N 3.35Å; S93-N97 PolarHBondContact O-ND2 2.92Å
94E96.4Very high97.4Very high100 Ų10079.6 Ų79.647%0.46740%0.404SS..Hα-helixtrans-59.3-48.6175.7-178.6-173.8161.200111.3N49 I91 C96 N97 N98N49-E94 PolarHBondContact ND2-OE2 2.84Å; I91-E94 PolarHBondContact O-N 3.35Å; E94-C96 PolarHBondContact O-N 2.95Å; E94-N97 PolarHBondContact O-N 3.08Å; E94-N98 PolarHBondContact O-N 2.95Å; E94-N98 VanDerWaalsContact O-N 3.1Å
95Y98.2Very high97.3Very high60 Ų6074 Ų7424%0.23538%0.378CS..Hα-helixtrans-59.9-48.1-179.8-170.3-103.9000112.7N49 I50 I53 I91 Y92 N98 H99N49-Y95 VanDerWaalsContact OD1-CB 3.24Å; N49-Y95 WeakPolarHBondContact OD1-CB 3.36Å; N49-Y95 WeakPolarHBondContact OD1-CD2 3.31Å; I50-Y95 HydrophobicContact CB-CE2 3.98Å; I50-Y95 HydrophobicContact CD1-CD2 4.47Å; I50-Y95 HydrophobicContact CD1-CE2 3.76Å; I50-Y95 HydrophobicContact CG1-CE2 4.37Å; I53-Y95 VanDerWaalsContact CD1-CB 3.46Å; I53-Y95 HydrophobicContact CD1-CD1 3.96Å; I53-Y95 HydrophobicContact CD1-CD2 3.78Å; I53-Y95 HydrophobicContact CD1-CG 3.44Å; I53-Y95 VanDerWaalsContact CD1-CG 3.44Å; I91-Y95 PolarHBondContact O-N 3.03Å; Y92-Y95 PolarHBondContact O-N 2.93Å; Y95-N98 PolarHBondContact O-N 3.03Å; Y95-H99 PolarHBondContact O-N 3.18Å
96C97.9Very high97.1Very high80 Ų8076.3 Ų76.354%0.54139%0.391SS..Hα-helixtrans-66.9-37.6-179.2-71.20000111.9Y92 S93 E94 N98 H99Y92-C96 VanDerWaalsContact O-CB 3.29Å; Y92-C96 WeakPolarHBondContact O-CB 3.26Å; Y92-C96 PolarHBondContact O-N 2.98Å; Y92-C96 PolarHBondContact O-SG 3.32Å; S93-C96 PolarHBondContact O-N 2.83Å; E94-C96 PolarHBondContact O-N 2.95Å; C96-N98 VanDerWaalsContact C-N 3.28Å; C96-N98 PolarHBondContact O-N 3.43Å; C96-H99 VanDerWaalsContact O-CB 3.28Å; C96-H99 WeakPolarHBondContact O-CB 3.3Å; C96-H99 PolarHBondContact O-N 3.33Å
97N97.7Very high97.1Very high123 Ų12374 Ų7466%0.65839%0.388SS*.Hα-helixtrans-65.4-32.8176.7-70.6-22.4000112S93 E94 H99S93-N97 VanDerWaalsContact O-CB 3.3Å; S93-N97 WeakPolarHBondContact O-CB 3.26Å; S93-N97 PolarHBondContact O-N 3.35Å; S93-N97 PolarHBondContact O-ND2 2.92Å; E94-N97 PolarHBondContact O-N 3.08Å; N97-H99 VanDerWaalsContact C-N 3.35Å
98N97.4Very high96.9Very high36 Ų3674.9 Ų74.919%0.19339%0.386CS..Hα-helixtrans-79.6-12175.9178.279.1000113.7V45 E94 Y95 C96 L100 D101 A102V45-N98 PolarHBondContact O-ND2 3.24Å; E94-N98 PolarHBondContact O-N 2.95Å; E94-N98 VanDerWaalsContact O-N 3.1Å; Y95-N98 PolarHBondContact O-N 3.03Å; C96-N98 VanDerWaalsContact C-N 3.28Å; C96-N98 PolarHBondContact O-N 3.43Å; N98-L100 VanDerWaalsContact C-N 3.3Å; N98-L100 PolarHBondContact O-N 3.07Å; N98-D101 PolarHBondContact O-N 3.31Å; N98-D101 VanDerWaalsContact O-N 3.14Å; N98-A102 PolarHBondContact O-N 2.92Å
99H96.6Very high96.5Very high107 Ų10777.5 Ų77.550%0.49539%0.394SS..Hα-helixtrans-60-36.3-170.7-175.261000113.8Y95 C96 N97 A102 C103Y95-H99 PolarHBondContact O-N 3.18Å; C96-H99 VanDerWaalsContact O-CB 3.28Å; C96-H99 WeakPolarHBondContact O-CB 3.3Å; C96-H99 PolarHBondContact O-N 3.33Å; N97-H99 VanDerWaalsContact C-N 3.35Å; H99-A102 PolarHBondContact O-N 3.09Å; H99-C103 PolarHBondContact O-N 2.98Å; H99-C103 PolarHBondContact O-SG 3.13Å; H99-C103 VanDerWaalsContact O-SG 3.4Å
100L97.1Very high95.4Very high111 Ų11184.2 Ų84.258%0.58143%0.429SS*.Hα-helixtrans-64-45.5177.9-176.764000111.4N98 C103 M104N98-L100 VanDerWaalsContact C-N 3.3Å; N98-L100 PolarHBondContact O-N 3.07Å; L100-C103 PolarHBondContact O-N 2.91Å; L100-M104 HydrophobicContact CD1-CE 3.91Å; L100-M104 HydrophobicContact CD2-CE 3.97Å; L100-M104 HydrophobicContact CG-CE 3.72Å; L100-M104 WeakPolarHBondContact O-CG 3.5Å; L100-M104 PolarHBondContact O-N 3.29Å
101D97.8Very high95.3Very high84 Ų8480.1 Ų80.145%0.44942%0.419SS..Hα-helixtrans-66.1-39.9179-63.6-37.2000111.2V45 N98 C103 M104 E105V45-D101 HydrophobicContact CG1-CB 3.93Å; N98-D101 PolarHBondContact O-N 3.31Å; N98-D101 VanDerWaalsContact O-N 3.14Å; D101-C103 PolarHBondContact O-N 3.34Å; D101-M104 PolarHBondContact O-N 3.38Å; D101-E105 WeakPolarHBondContact O-CB 3.48Å; D101-E105 PolarHBondContact O-N 3.23Å
102A97.6Very high95.2Very high7 Ų783.3 Ų83.36%0.05844%0.436CS..Hα-helixtrans-57.5-46.5173.700000112V45 N98 H99 E105 L106V45-A102 WeakPolarHBondContact O-CB 3.47Å; N98-A102 PolarHBondContact O-N 2.92Å; H99-A102 PolarHBondContact O-N 3.09Å; A102-E105 PolarHBondContact O-N 3.41Å; A102-L106 WeakPolarHBondContact O-CB 3.41Å; A102-L106 WeakPolarHBondContact O-CG 3.4Å; A102-L106 PolarHBondContact O-N 3.37Å
103C97.1Very high95.1Very high51 Ų5185.2 Ų85.235%0.34545%0.449SS..Hα-helixtrans-64.1-40177.3-760000112.4H99 L100 D101 S107H99-C103 PolarHBondContact O-N 2.98Å; H99-C103 PolarHBondContact O-SG 3.13Å; H99-C103 VanDerWaalsContact O-SG 3.4Å; L100-C103 PolarHBondContact O-N 2.91Å; D101-C103 PolarHBondContact O-N 3.34Å; C103-S107 WeakPolarHBondContact O-CB 3.07Å; C103-S107 PolarHBondContact O-N 3.2Å; C103-S107 PolarHBondContact O-OG 3.08Å
104M97.3Very high94.9Very high99 Ų9985.9 Ų85.949%0.48845%0.446SS..Hα-helixtrans-64.8-43.1175.5-71.5-177.5-17300111.8L100 D101 S107 K108L100-M104 HydrophobicContact CD1-CE 3.91Å; L100-M104 HydrophobicContact CD2-CE 3.97Å; L100-M104 HydrophobicContact CG-CE 3.72Å; L100-M104 WeakPolarHBondContact O-CG 3.5Å; L100-M104 PolarHBondContact O-N 3.29Å; D101-M104 PolarHBondContact O-N 3.38Å; M104-S107 PolarHBondContact O-N 2.67Å; M104-K108 WeakPolarHBondContact O-CG 3.45Å; M104-K108 PolarHBondContact O-N 3.23Å
105E96.3Very high94.8Very high27 Ų2785 Ų8513%0.12644%0.444CS..Hα-helixtrans-67.5-42.9179.8-166.559.3-159.200111.6Q42 V45 I46 D101 A102 S107 K108Q42-E105 WeakPolarHBondContact CG-OE1 3.36Å; Q42-E105 PolarHBondContact NE2-OE1 3.4Å; V45-E105 HydrophobicContact CG1-CB 3.98Å; V45-E105 HydrophobicContact CG1-CG 4.46Å; I46-E105 HydrophobicContact CD1-CG 4.15Å; I46-E105 HydrophobicContact CG1-CB 4.09Å; I46-E105 HydrophobicContact CG1-CG 3.9Å; D101-E105 WeakPolarHBondContact O-CB 3.48Å; D101-E105 PolarHBondContact O-N 3.23Å; A102-E105 PolarHBondContact O-N 3.41Å; E105-S107 VanDerWaalsContact C-N 3.28Å; E105-S107 PolarHBondContact O-N 3.12Å; E105-K108 PolarHBondContact O-N 2.74Å; E105-K108 IonicContact OE2-NZ 3.8Å; E105-K108 PolarHBondContact OE2-NZ 2.91Å
106L94.8Very high94.6Very high81 Ų8186.7 Ų86.742%0.42446%0.458SS..Hα-helixtrans-59.5-37.9173-76.8170.2000112.6I46 A102 K108 L109 M110I46-L106 HydrophobicContact CD1-CD2 4.38Å; I46-L106 HydrophobicContact CG1-CD2 4.38Å; I46-L106 HydrophobicContact CG1-CG 4.32Å; I46-L106 HydrophobicContact CG2-CD1 4.28Å; I46-L106 HydrophobicContact CG2-CD2 3.79Å; I46-L106 HydrophobicContact CG2-CG 4Å; A102-L106 WeakPolarHBondContact O-CB 3.41Å; A102-L106 WeakPolarHBondContact O-CG 3.4Å; A102-L106 PolarHBondContact O-N 3.37Å; L106-K108 VanDerWaalsContact C-N 3.25Å; L106-K108 PolarHBondContact O-N 2.87Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.11Å; L106-M110 PolarHBondContact O-N 3.38Å
107S95.3Very high94.3Very high69 Ų6987.1 Ų87.148%0.48345%0.452SS..Hα-helixtrans-67-24.3179.5-59.80000113.6C103 M104 E105 L109C103-S107 WeakPolarHBondContact O-CB 3.07Å; C103-S107 PolarHBondContact O-N 3.2Å; C103-S107 PolarHBondContact O-OG 3.08Å; M104-S107 PolarHBondContact O-N 2.67Å; E105-S107 VanDerWaalsContact C-N 3.28Å; E105-S107 PolarHBondContact O-N 3.12Å; S107-L109 VanDerWaalsContact C-N 3.3Å
108K93.4Very high94.1Very high144 Ų14484.4 Ų84.463%0.62644%0.437SS*.Hα-helixtrans-78.2-17.6174.6-62.3168.9-163.5162.30112.9M104 E105 L106M104-K108 WeakPolarHBondContact O-CG 3.45Å; M104-K108 PolarHBondContact O-N 3.23Å; E105-K108 PolarHBondContact O-N 2.74Å; E105-K108 IonicContact OE2-NZ 3.8Å; E105-K108 PolarHBondContact OE2-NZ 2.91Å; L106-K108 VanDerWaalsContact C-N 3.25Å; L106-K108 PolarHBondContact O-N 2.87Å
109L86.9Confident93.8Very high76 Ų7688.4 Ų88.440%0.39846%0.457SS..  trans-94.2-8.4-177.5-64167.4000112.8F38 I46 L106 S107F38-L109 HydrophobicContact CD1-CD1 4.3Å; F38-L109 HydrophobicContact CE1-CD1 3.77Å; F38-L109 HydrophobicContact CE1-CD2 4.25Å; I46-L109 HydrophobicContact CD1-CD1 3.62Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.11Å; S107-L109 VanDerWaalsContact C-N 3.3Å
110M75.6Confident93.6Very high205 Ų20586.7 Ų86.7100%1.0145%0.453SS*.  trans-91.70172.4-66.8-169.4-70.800110.8L106L106-M110 PolarHBondContact O-N 3.38Å

Retrieved 110 of 110 residues in 22.4 ms (Link to these results)

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