A0A3B3VCA2_9TELE Loading...

Mediator of RNA polymerase II transcription subunit 10

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A3B3VCA2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene MED10, Length 134 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M52.4Low81.3Confident189 Ų18992.6 Ų92.693%0.93147%0.465SS*.  0-440-155.6175-81.600110.3F5M1-F5 WeakPolarHBondContact O-CD2 3.49Å
2A60.9Low82.4Confident71 Ų7190.8 Ų90.859%0.58746%0.457SS*.THydrogen-bonded Turntrans-57.1-48168.800000113K4 F5 D6A2-K4 PolarHBondContact O-N 2.82Å; A2-F5 PolarHBondContact O-N 2.9Å; A2-D6 PolarHBondContact O-N 3.07Å
3E67.5Low83.5Confident165 Ų16593.1 Ų93.177%0.77147%0.465SS*.Hα-helixtrans-52.4-23-179.1-64.5176.6164.200116.1F5 D6E3-F5 VanDerWaalsContact C-N 3.3Å; E3-D6 WeakPolarHBondContact CA-OD2 3.26Å
4K75.8Confident84.3Confident99 Ų9993.6 Ų93.643%0.4346%0.463SS..Hα-helixtrans-71-27.2176.5-72.3-172.1172.3-167.80112.5A2 D60A2-K4 PolarHBondContact O-N 2.82Å; K4-D60 IonicContact NZ-OD2 3.53Å; K4-D60 PolarHBondContact NZ-OD2 3.46Å
5F86.6Confident85.2Confident82 Ų8289.3 Ų89.336%0.3644%0.441SS..Hα-helixtrans-94.5-27.6-176.7-63.8-77.5000112.6M1 A2 E3 N7 L8 E9 L58 I61M1-F5 WeakPolarHBondContact O-CD2 3.49Å; A2-F5 PolarHBondContact O-N 2.9Å; E3-F5 VanDerWaalsContact C-N 3.3Å; F5-N7 PolarHBondContact O-N 3.33Å; F5-N7 VanDerWaalsContact O-N 3.09Å; F5-L8 PolarHBondContact O-N 3.18Å; F5-E9 PolarHBondContact O-N 3.32Å; F5-L58 HydrophobicContact CD1-CD2 3.88Å; F5-L58 HydrophobicContact CE1-CD2 3.85Å; F5-I61 HydrophobicContact CE1-CD1 3.41Å; F5-I61 VanDerWaalsContact CE1-CD1 3.41Å; F5-I61 HydrophobicContact CE2-CD1 4.36Å; F5-I61 HydrophobicContact CZ-CD1 3.28Å; F5-I61 HydrophobicContact CZ-CG1 4.29Å
6D89.6Confident85.9Confident79 Ų7990.8 Ų90.842%0.42245%0.449SS..Hα-helixtrans-49-42.9-177.1-61.11.1000112.2A2 E3 E9 E10A2-D6 PolarHBondContact O-N 3.07Å; E3-D6 WeakPolarHBondContact CA-OD2 3.26Å; D6-E9 PolarHBondContact O-N 3.33Å; D6-E10 WeakPolarHBondContact O-CB 3.45Å; D6-E10 PolarHBondContact O-N 2.7Å
7N89.7Confident86.5Confident51 Ų5189.6 Ų89.627%0.27344%0.443SS..Hα-helixtrans-65.1-44.1178.6-175.226.9000112.6F5 H11 Q57F5-N7 PolarHBondContact O-N 3.33Å; F5-N7 VanDerWaalsContact O-N 3.09Å; N7-H11 PolarHBondContact O-N 3.07Å; N7-H11 PolarHBondContact O-ND1 3.49Å; N7-H11 PolarHBondContact OD1-CE1 3.39Å; N7-H11 PolarHBondContact OD1-ND1 2.84Å; N7-H11 VanDerWaalsContact OD1-ND1 3.1Å; N7-Q57 PolarHBondContact ND2-OE1 3.41Å
8L91.2Very high87.1Confident37 Ų3784.8 Ų84.819%0.19442%0.419CS..Hα-helixtrans-66.9-43.1177174.864000110.7F5 H11 L12 I51 C54 L58F5-L8 PolarHBondContact O-N 3.18Å; L8-H11 PolarHBondContact O-N 2.95Å; L8-L12 HydrophobicContact CD1-CD1 4.12Å; L8-L12 HydrophobicContact CD1-CG 4.1Å; L8-L12 HydrophobicContact CD2-CD1 4.37Å; L8-L12 HydrophobicContact CG-CD1 3.87Å; L8-L12 HydrophobicContact CG-CG 4.3Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.33Å; L8-L12 PolarHBondContact O-N 3.15Å; L8-I51 HydrophobicContact CD1-CG2 4.1Å; L8-C54 HydrophobicContact CB-CB 4.32Å; L8-C54 HydrophobicContact CD1-CB 3.91Å; L8-L58 HydrophobicContact CB-CD1 4.25Å; L8-L58 HydrophobicContact CD2-CD1 3.33Å; L8-L58 HydrophobicContact CG-CD1 4.34Å
9E92.6Very high87.6Confident106 Ų10684.5 Ų84.550%0.49542%0.418SS..Hα-helixtrans-59-48.5178.9-173.4169.2-172.300110.9F5 D6 H11 L12 E13F5-E9 PolarHBondContact O-N 3.32Å; D6-E9 PolarHBondContact O-N 3.33Å; E9-H11 VanDerWaalsContact C-N 3.33Å; E9-H11 PolarHBondContact O-N 3.35Å; E9-L12 PolarHBondContact O-N 3.48Å; E9-L12 VanDerWaalsContact O-N 3.16Å; E9-E13 WeakPolarHBondContact O-CG 3.35Å; E9-E13 PolarHBondContact O-N 3.39Å
10E93.8Very high88Confident92 Ų9286.7 Ų86.743%0.4342%0.421SS..Hα-helixtrans-59.1-42.1177.3-171.6-173.1165.400112.3D6 K14D6-E10 WeakPolarHBondContact O-CB 3.45Å; D6-E10 PolarHBondContact O-N 2.7Å; E10-K14 HydrophobicContact CG-CD 4.26Å; E10-K14 WeakPolarHBondContact O-CB 3.3Å; E10-K14 VanDerWaalsContact O-CG 3.28Å; E10-K14 WeakPolarHBondContact O-CG 3.41Å; E10-K14 PolarHBondContact O-N 3.27Å; E10-K14 WeakPolarHBondContact OE1-CE 3.32Å; E10-K14 IonicContact OE1-NZ 3.4Å; E10-K14 PolarHBondContact OE1-NZ 2.65Å
11H93.8Very high88.4Confident48 Ų4885.4 Ų85.422%0.22242%0.415CS..Hα-helixtrans-68.4-38.7177.4-7682000112.1N7 L8 E9 F15 I51N7-H11 PolarHBondContact O-N 3.07Å; N7-H11 PolarHBondContact O-ND1 3.49Å; N7-H11 PolarHBondContact OD1-CE1 3.39Å; N7-H11 PolarHBondContact OD1-ND1 2.84Å; N7-H11 VanDerWaalsContact OD1-ND1 3.1Å; L8-H11 PolarHBondContact O-N 2.95Å; E9-H11 VanDerWaalsContact C-N 3.33Å; E9-H11 PolarHBondContact O-N 3.35Å; H11-F15 VanDerWaalsContact O-CB 3.24Å; H11-F15 WeakPolarHBondContact O-CB 3.29Å; H11-F15 PolarHBondContact O-N 2.96Å; H11-I51 HydrophobicContact CB-CG1 4.12Å
12L95.4Very high90.4Very high70 Ų7077.8 Ų77.837%0.36638%0.378SS..Hα-helixtrans-64.8-45.7175.3-74.1172.1000111.5L8 E9 F15 I16 I51L8-L12 HydrophobicContact CD1-CD1 4.12Å; L8-L12 HydrophobicContact CD1-CG 4.1Å; L8-L12 HydrophobicContact CD2-CD1 4.37Å; L8-L12 HydrophobicContact CG-CD1 3.87Å; L8-L12 HydrophobicContact CG-CG 4.3Å; L8-L12 WeakPolarHBondContact O-CB 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.33Å; L8-L12 PolarHBondContact O-N 3.15Å; E9-L12 PolarHBondContact O-N 3.48Å; E9-L12 VanDerWaalsContact O-N 3.16Å; L12-F15 PolarHBondContact O-N 2.92Å; L12-I16 WeakPolarHBondContact O-CB 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.04Å; L12-I51 HydrophobicContact CD2-CD1 3.98Å; L12-I51 HydrophobicContact CD2-CG1 4.38Å; L12-I51 HydrophobicContact CD2-CG2 4.41Å
13E96Very high92.1Very high121 Ų12176.1 Ų76.157%0.56537%0.367SS*.Hα-helixtrans-60.1-48.2177-73.5-173.2157.700111.6E9 F15 I16 E17E9-E13 WeakPolarHBondContact O-CG 3.35Å; E9-E13 PolarHBondContact O-N 3.39Å; E13-F15 VanDerWaalsContact C-N 3.28Å; E13-F15 PolarHBondContact O-N 3.49Å; E13-I16 PolarHBondContact O-N 2.85Å; E13-E17 WeakPolarHBondContact O-CB 3.49Å; E13-E17 PolarHBondContact O-N 3.01Å
14K95.4Very high93.5Very high100 Ų10072.6 Ų72.644%0.43535%0.352SS..Hα-helixtrans-58.6-40.4175.3-76.8170.8174.71700112E10 N18E10-K14 HydrophobicContact CG-CD 4.26Å; E10-K14 WeakPolarHBondContact O-CB 3.3Å; E10-K14 VanDerWaalsContact O-CG 3.28Å; E10-K14 WeakPolarHBondContact O-CG 3.41Å; E10-K14 PolarHBondContact O-N 3.27Å; E10-K14 WeakPolarHBondContact OE1-CE 3.32Å; E10-K14 IonicContact OE1-NZ 3.4Å; E10-K14 PolarHBondContact OE1-NZ 2.65Å; K14-N18 WeakPolarHBondContact O-CB 3.32Å; K14-N18 PolarHBondContact O-N 3.49Å
15F96.8Very high94.4Very high30 Ų3069.3 Ų69.313%0.13234%0.339CS..Hα-helixtrans-68-46179.7-175.3-105.6000112.1H11 L12 E13 E17 N18 I19 M44 L48 I51H11-F15 VanDerWaalsContact O-CB 3.24Å; H11-F15 WeakPolarHBondContact O-CB 3.29Å; H11-F15 PolarHBondContact O-N 2.96Å; L12-F15 PolarHBondContact O-N 2.92Å; E13-F15 VanDerWaalsContact C-N 3.28Å; E13-F15 PolarHBondContact O-N 3.49Å; F15-E17 VanDerWaalsContact C-N 3.35Å; F15-E17 PolarHBondContact O-N 3.41Å; F15-N18 WeakPolarHBondContact O-CB 3.41Å; F15-N18 PolarHBondContact O-N 3.34Å; F15-I19 HydrophobicContact CD1-CD1 3.8Å; F15-I19 HydrophobicContact CE1-CD1 3.39Å; F15-I19 HydrophobicContact CE1-CG1 4.39Å; F15-I19 HydrophobicContact CZ-CD1 3.87Å; F15-I19 WeakPolarHBondContact O-CG1 3.28Å; F15-I19 PolarHBondContact O-N 3.4Å; F15-M44 HydrophobicContact CE2-CB 4.14Å; F15-M44 HydrophobicContact CE2-CG 4.24Å; F15-L48 HydrophobicContact CE1-CD2 4.14Å; F15-L48 HydrophobicContact CE2-CD2 4.01Å; F15-L48 HydrophobicContact CE2-CG 3.74Å; F15-L48 HydrophobicContact CZ-CD1 4.39Å; F15-L48 HydrophobicContact CZ-CD2 3.56Å; F15-L48 HydrophobicContact CZ-CG 3.72Å; F15-I51 HydrophobicContact CB-CD1 3.87Å; F15-I51 HydrophobicContact CD1-CD1 4.06Å; F15-I51 HydrophobicContact CD2-CD1 4.25Å; F15-I51 HydrophobicContact CG-CD1 3.81Å
16I96.6Very high94.8Very high112 Ų11269.4 Ų69.457%0.57435%0.346SS*.Hα-helixtrans-60.7-45.2176-68.8164.7000110.6L12 E13 N18 I19 R20L12-I16 WeakPolarHBondContact O-CB 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.04Å; E13-I16 PolarHBondContact O-N 2.85Å; I16-N18 VanDerWaalsContact C-N 3.31Å; I16-N18 PolarHBondContact O-N 3.28Å; I16-I19 PolarHBondContact O-N 3.18Å; I16-R20 PolarHBondContact O-N 2.95Å
17E96.8Very high95.2Very high72 Ų7270.8 Ų70.834%0.33636%0.362SS..Hα-helixtrans-62.9-38.8177.6177.154.7-158.800111.7E13 F15 R20 Q21E13-E17 WeakPolarHBondContact O-CB 3.49Å; E13-E17 PolarHBondContact O-N 3.01Å; F15-E17 VanDerWaalsContact C-N 3.35Å; F15-E17 PolarHBondContact O-N 3.41Å; E17-R20 PolarHBondContact O-N 3.4Å; E17-R20 IonicContact OE1-CZ 2.93Å; E17-R20 IonicContact OE1-NE 3.43Å; E17-R20 PolarHBondContact OE1-NE 3.04Å; E17-R20 IonicContact OE1-NH2 2.57Å; E17-R20 PolarHBondContact OE1-NH2 3.02Å; E17-R20 IonicContact OE2-CZ 3.78Å; E17-R20 IonicContact OE2-NE 3.55Å; E17-R20 PolarHBondContact OE2-NE 3.16Å; E17-R20 IonicContact OE2-NH2 2.74Å; E17-Q21 WeakPolarHBondContact O-CG 3.48Å; E17-Q21 PolarHBondContact O-N 3.04Å; E17-Q21 WeakPolarHBondContact OE1-CG 3.33Å; E17-Q21 PolarHBondContact OE1-NE2 3.19Å
18N96.7Very high95.4Very high3 Ų374 Ų742%0.01638%0.379CS..Hα-helixtrans-62.8-41.6174.5-169.873.4000112.4K14 F15 I16 Q21 L22 K40 F43 M44K14-N18 WeakPolarHBondContact O-CB 3.32Å; K14-N18 PolarHBondContact O-N 3.49Å; F15-N18 WeakPolarHBondContact O-CB 3.41Å; F15-N18 PolarHBondContact O-N 3.34Å; I16-N18 VanDerWaalsContact C-N 3.31Å; I16-N18 PolarHBondContact O-N 3.28Å; N18-Q21 PolarHBondContact O-N 3.34Å; N18-L22 WeakPolarHBondContact O-CB 3.35Å; N18-L22 PolarHBondContact O-N 3.1Å; N18-K40 PolarHBondContact ND2-O 2.93Å; N18-K40 WeakPolarHBondContact OD1-CD 3.24Å; N18-K40 PolarHBondContact OD1-NZ 2.89Å; N18-F43 HydrophobicContact CB-CD1 3.81Å; N18-F43 HydrophobicContact CB-CE1 4.06Å; N18-F43 WeakPolarHBondContact OD1-CD1 3.28Å; N18-M44 VanDerWaalsContact ND2-CG 3.25Å; N18-M44 WeakPolarHBondContact ND2-CG 2.83Å
19I96.4Very high95.7Very high78 Ų7876.4 Ų76.440%0.439%0.389SS..Hα-helixtrans-62.5-45174.7-69.4169000110.5F15 I16 Q21 L22 G23 M44F15-I19 HydrophobicContact CD1-CD1 3.8Å; F15-I19 HydrophobicContact CE1-CD1 3.39Å; F15-I19 HydrophobicContact CE1-CG1 4.39Å; F15-I19 HydrophobicContact CZ-CD1 3.87Å; F15-I19 WeakPolarHBondContact O-CG1 3.28Å; F15-I19 PolarHBondContact O-N 3.4Å; I16-I19 PolarHBondContact O-N 3.18Å; I19-Q21 PolarHBondContact O-N 3.4Å; I19-L22 PolarHBondContact O-N 3.28Å; I19-G23 PolarHBondContact O-N 3.18Å; I19-M44 HydrophobicContact CG1-SD 4Å
20R97.1Very high95.7Very high129 Ų12976.4 Ų76.449%0.48739%0.388SS..Hα-helixtrans-58.5-47.8177.7-170.9-165.970.480.83.2111.6I16 E17 L22 G23 I24I16-R20 PolarHBondContact O-N 2.95Å; E17-R20 PolarHBondContact O-N 3.4Å; E17-R20 IonicContact OE1-CZ 2.93Å; E17-R20 IonicContact OE1-NE 3.43Å; E17-R20 PolarHBondContact OE1-NE 3.04Å; E17-R20 IonicContact OE1-NH2 2.57Å; E17-R20 PolarHBondContact OE1-NH2 3.02Å; E17-R20 IonicContact OE2-CZ 3.78Å; E17-R20 IonicContact OE2-NE 3.55Å; E17-R20 PolarHBondContact OE2-NE 3.16Å; E17-R20 IonicContact OE2-NH2 2.74Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 2.87Å; R20-G23 PolarHBondContact O-N 3.38Å; R20-I24 WeakPolarHBondContact O-CG1 3.46Å; R20-I24 PolarHBondContact O-N 2.79Å; R20-I24 VanDerWaalsContact O-N 3.1Å
21Q95.1Very high95.8Very high60 Ų6077.5 Ų77.528%0.2840%0.404SS..Hα-helixtrans-63-40.3177.7-70.7178.39.200112E17 N18 I19 G23 I24 I25E17-Q21 WeakPolarHBondContact O-CG 3.48Å; E17-Q21 PolarHBondContact O-N 3.04Å; E17-Q21 WeakPolarHBondContact OE1-CG 3.33Å; E17-Q21 PolarHBondContact OE1-NE2 3.19Å; N18-Q21 PolarHBondContact O-N 3.34Å; I19-Q21 PolarHBondContact O-N 3.4Å; Q21-G23 VanDerWaalsContact C-N 3.34Å; Q21-I24 PolarHBondContact O-N 3.01Å; Q21-I25 WeakPolarHBondContact O-CG1 3.43Å; Q21-I25 PolarHBondContact O-N 2.9Å
22L95.7Very high95.8Very high29 Ų2979.6 Ų79.615%0.15242%0.424CS..Hα-helixtrans-62.6-41.9174.9-172.4141.7000111.5N18 I19 R20 I24 I25 V26 L37 K40 L41 M44N18-L22 WeakPolarHBondContact O-CB 3.35Å; N18-L22 PolarHBondContact O-N 3.1Å; I19-L22 PolarHBondContact O-N 3.28Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 2.87Å; L22-I24 VanDerWaalsContact C-N 3.29Å; L22-I24 PolarHBondContact O-N 3.35Å; L22-I25 PolarHBondContact O-N 3.47Å; L22-V26 HydrophobicContact CD2-CG2 4.06Å; L22-V26 HydrophobicContact CG-CG2 4.44Å; L22-V26 WeakPolarHBondContact O-CB 3.45Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 2.84Å; L22-L37 HydrophobicContact CD1-CD1 4.14Å; L22-L37 HydrophobicContact CG-CD1 4.01Å; L22-K40 HydrophobicContact CD1-CB 4.16Å; L22-L41 HydrophobicContact CD1-CD2 3.82Å; L22-L41 HydrophobicContact CD1-CG 3.97Å; L22-M44 HydrophobicContact CD1-CE 3.7Å; L22-M44 HydrophobicContact CD1-SD 4.38Å
23G95.9Very high95.7Very high35 Ų3577.3 Ų77.336%0.36141%0.413SS..Hα-helixtrans-57.5-39.5173.500000113I19 R20 Q21 S27I19-G23 PolarHBondContact O-N 3.18Å; R20-G23 PolarHBondContact O-N 3.38Å; Q21-G23 VanDerWaalsContact C-N 3.34Å; G23-S27 WeakPolarHBondContact O-CB 3.41Å; G23-S27 PolarHBondContact O-N 3.14Å; G23-S27 PolarHBondContact O-OG 3.08Å
24I95.9Very high95.7Very high91 Ų9175.4 Ų75.447%0.46741%0.405SS..Hα-helixtrans-66.4-49.1175.6-67.1164000111.1R20 Q21 L22 V26 S27 D28R20-I24 WeakPolarHBondContact O-CG1 3.46Å; R20-I24 PolarHBondContact O-N 2.79Å; R20-I24 VanDerWaalsContact O-N 3.1Å; Q21-I24 PolarHBondContact O-N 3.01Å; L22-I24 VanDerWaalsContact C-N 3.29Å; L22-I24 PolarHBondContact O-N 3.35Å; I24-V26 VanDerWaalsContact C-N 3.29Å; I24-V26 PolarHBondContact O-N 3.38Å; I24-S27 PolarHBondContact O-N 2.99Å; I24-D28 PolarHBondContact O-N 3.41Å; I24-D28 VanDerWaalsContact O-N 3.14Å
25I95.6Very high95.7Very high30 Ų3074.2 Ų74.215%0.15441%0.413CS..Hα-helixtrans-60.4-41.3-179.2-65.8165.2000110.9Q21 L22 D28 F29 V36 L37 K40Q21-I25 WeakPolarHBondContact O-CG1 3.43Å; Q21-I25 PolarHBondContact O-N 2.9Å; L22-I25 PolarHBondContact O-N 3.47Å; I25-D28 CarbonylContact O-C 3.35Å; I25-F29 WeakPolarHBondContact O-CA 3.44Å; I25-F29 PolarHBondContact O-N 2.83Å; I25-V36 HydrophobicContact CD1-CG1 3.89Å; I25-L37 HydrophobicContact CG2-CB 4.1Å; I25-L37 HydrophobicContact CG2-CD1 4.21Å; I25-K40 HydrophobicContact CD1-CG 4.18Å
26V95.8Very high95.6Very high84 Ų8475.9 Ų75.951%0.50943%0.426SS..Hα-helixtrans-71.1-33.4179.4173.50000111.6L22 I24 L37L22-V26 HydrophobicContact CD2-CG2 4.06Å; L22-V26 HydrophobicContact CG-CG2 4.44Å; L22-V26 WeakPolarHBondContact O-CB 3.45Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 2.84Å; I24-V26 VanDerWaalsContact C-N 3.29Å; I24-V26 PolarHBondContact O-N 3.38Å; V26-L37 HydrophobicContact CG2-CD1 3.92Å
27S96.9Very high95.6Very high108 Ų10871.5 Ų71.576%0.75540%0.403SS*.Hα-helixtrans-69.9-32.7179.1-610000113.1G23 I24G23-S27 WeakPolarHBondContact O-CB 3.41Å; G23-S27 PolarHBondContact O-N 3.14Å; G23-S27 PolarHBondContact O-OG 3.08Å; I24-S27 PolarHBondContact O-N 2.99Å
28D95.1Very high95.5Very high118 Ų11871.6 Ų71.663%0.63141%0.406SS*.THydrogen-bonded Turntrans-128.463.5176.4-174.129.5000110.8I24 I25 Q30I24-D28 PolarHBondContact O-N 3.41Å; I24-D28 VanDerWaalsContact O-N 3.14Å; I25-D28 CarbonylContact O-C 3.35Å; D28-Q30 PolarHBondContact O-N 3.29Å
29F95.9Very high95.5Very high89 Ų8977.8 Ų77.839%0.3944%0.435SS..  trans-72.8128.3-174.1179.3-97000112.3I25 S33 Q34 L37I25-F29 WeakPolarHBondContact O-CA 3.44Å; I25-F29 PolarHBondContact O-N 2.83Å; F29-S33 VanDerWaalsContact CD2-OG 3.29Å; F29-S33 WeakPolarHBondContact CD2-OG 3.39Å; F29-S33 WeakPolarHBondContact CE2-OG 3.4Å; F29-Q34 HydrophobicContact CE2-CB 4.38Å; F29-Q34 HydrophobicContact CZ-CB 4.14Å; F29-L37 HydrophobicContact CD2-CD2 4.28Å; F29-L37 HydrophobicContact CE2-CD2 4.02Å
30Q94.3Very high95.4Very high105 Ų10576.3 Ų76.349%0.49143%0.425SS..  trans-117.8146.9170.2-61.7-174.3-1300110.5D28 S32 S33D28-Q30 PolarHBondContact O-N 3.29Å; Q30-S32 PolarHBondContact O-N 3.13Å; Q30-S32 VanDerWaalsContact O-N 3.1Å; Q30-S33 PolarHBondContact N-OG 3.05Å; Q30-S33 WeakPolarHBondContact O-CA 3.29Å; Q30-S33 VanDerWaalsContact O-CB 3.32Å; Q30-S33 WeakPolarHBondContact O-CB 3.4Å; Q30-S33 PolarHBondContact O-N 3.45Å; Q30-S33 PolarHBondContact O-OG 3.46Å
31P94.7Very high95.4Very high116 Ų11673.4 Ų73.475%0.75342%0.419SS*.G310 helixtrans-55.1-32.7177.7-27.435000114.1S33 Q34P31-S33 PolarHBondContact O-N 3.48Å; P31-Q34 WeakPolarHBondContact O-CB 3.46Å; P31-Q34 PolarHBondContact O-N 2.95Å
32S94.4Very high95.4Very high92 Ų9275.5 Ų75.564%0.64343%0.433SS*.G310 helixtrans-63.4-26173.550.80000113.7Q30Q30-S32 PolarHBondContact O-N 3.13Å; Q30-S32 VanDerWaalsContact O-N 3.1Å
33S93.8Very high95.4Very high21 Ų2178.3 Ų78.315%0.14744%0.444CS..G310 helixtrans-82.6-9.9-178.875.60000114F29 Q30 P31 A35 V36 L37F29-S33 VanDerWaalsContact CD2-OG 3.29Å; F29-S33 WeakPolarHBondContact CD2-OG 3.39Å; F29-S33 WeakPolarHBondContact CE2-OG 3.4Å; Q30-S33 PolarHBondContact N-OG 3.05Å; Q30-S33 WeakPolarHBondContact O-CA 3.29Å; Q30-S33 VanDerWaalsContact O-CB 3.32Å; Q30-S33 WeakPolarHBondContact O-CB 3.4Å; Q30-S33 PolarHBondContact O-N 3.45Å; Q30-S33 PolarHBondContact O-OG 3.46Å; P31-S33 PolarHBondContact O-N 3.48Å; S33-A35 VanDerWaalsContact C-N 3.29Å; S33-A35 PolarHBondContact O-N 3.39Å; S33-V36 PolarHBondContact O-N 3.48Å; S33-L37 PolarHBondContact O-N 3.47Å
34Q94.9Very high95.4Very high82 Ų8278.7 Ų78.738%0.38344%0.437SS..Hα-helixtrans-55-42-176.4-175.965.554.900113.2F29 P31 V36 L37 N38F29-Q34 HydrophobicContact CE2-CB 4.38Å; F29-Q34 HydrophobicContact CZ-CB 4.14Å; P31-Q34 WeakPolarHBondContact O-CB 3.46Å; P31-Q34 PolarHBondContact O-N 2.95Å; Q34-V36 VanDerWaalsContact C-N 3.35Å; Q34-L37 PolarHBondContact O-N 2.9Å; Q34-N38 PolarHBondContact NE2-OD1 2.85Å; Q34-N38 VanDerWaalsContact O-CG 3.27Å; Q34-N38 PolarHBondContact O-N 3.38Å
35A95.9Very high95.4Very high74 Ų7479.2 Ų79.261%0.61244%0.439SS*.Hα-helixtrans-63.6-42.5179.100000111.6S33 N38 Q39S33-A35 VanDerWaalsContact C-N 3.29Å; S33-A35 PolarHBondContact O-N 3.39Å; A35-N38 PolarHBondContact O-N 2.88Å; A35-Q39 PolarHBondContact O-N 3.13Å
36V94.8Very high95.4Very high65 Ų6579.7 Ų79.739%0.39445%0.445SS..Hα-helixtrans-67.3-42.2177.8-175.90000110.5I25 S33 Q34 N38 Q39 K40I25-V36 HydrophobicContact CD1-CG1 3.89Å; S33-V36 PolarHBondContact O-N 3.48Å; Q34-V36 VanDerWaalsContact C-N 3.35Å; V36-N38 PolarHBondContact O-N 3.07Å; V36-Q39 WeakPolarHBondContact O-CB 3.5Å; V36-Q39 PolarHBondContact O-N 2.95Å; V36-K40 HydrophobicContact CG1-CG 4.32Å; V36-K40 WeakPolarHBondContact O-CB 3.3Å; V36-K40 VanDerWaalsContact O-CG 3.25Å; V36-K40 WeakPolarHBondContact O-CG 3.34Å; V36-K40 PolarHBondContact O-N 2.97Å
37L95.5Very high95.3Very high21 Ų2176 Ų7611%0.1143%0.425CS..Hα-helixtrans-56.8-48.6174.7179.262000111.5L22 I25 V26 F29 S33 Q34 Q39 K40 L41L22-L37 HydrophobicContact CD1-CD1 4.14Å; L22-L37 HydrophobicContact CG-CD1 4.01Å; I25-L37 HydrophobicContact CG2-CB 4.1Å; I25-L37 HydrophobicContact CG2-CD1 4.21Å; V26-L37 HydrophobicContact CG2-CD1 3.92Å; F29-L37 HydrophobicContact CD2-CD2 4.28Å; F29-L37 HydrophobicContact CE2-CD2 4.02Å; S33-L37 PolarHBondContact O-N 3.47Å; Q34-L37 PolarHBondContact O-N 2.9Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 3.49Å; L37-K40 PolarHBondContact O-N 3.2Å; L37-K40 VanDerWaalsContact O-N 3.16Å; L37-L41 HydrophobicContact CD1-CD1 4.44Å; L37-L41 HydrophobicContact CD1-CG 4.49Å; L37-L41 HydrophobicContact CG-CD1 4.13Å; L37-L41 WeakPolarHBondContact O-CG 3.23Å; L37-L41 PolarHBondContact O-N 2.94Å
38N95.6Very high95.2Very high73 Ų7375.6 Ų75.639%0.3941%0.414SS..Hα-helixtrans-60.9-41.6177.7-69.9-11.7000111.8Q34 A35 V36 K40 L41 N42Q34-N38 PolarHBondContact NE2-OD1 2.85Å; Q34-N38 VanDerWaalsContact O-CG 3.27Å; Q34-N38 PolarHBondContact O-N 3.38Å; A35-N38 PolarHBondContact O-N 2.88Å; V36-N38 PolarHBondContact O-N 3.07Å; N38-K40 VanDerWaalsContact C-N 3.34Å; N38-K40 PolarHBondContact O-N 3.05Å; N38-L41 PolarHBondContact O-N 3.37Å; N38-N42 PolarHBondContact O-N 2.92Å; N38-N42 PolarHBondContact O-ND2 3.44Å
39Q95.9Very high95.2Very high134 Ų13475.2 Ų75.263%0.62641%0.408SS*.Hα-helixtrans-61.2-43.1175-172.9-176.93.100111.6A35 V36 L37 N42 F43A35-Q39 PolarHBondContact O-N 3.13Å; V36-Q39 WeakPolarHBondContact O-CB 3.5Å; V36-Q39 PolarHBondContact O-N 2.95Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 3.49Å; Q39-N42 PolarHBondContact O-N 3.27Å; Q39-F43 WeakPolarHBondContact O-CB 3.37Å; Q39-F43 PolarHBondContact O-N 2.84Å
40K95.8Very high95Very high46 Ų4673.4 Ų73.420%0.240%0.402CS..Hα-helixtrans-67.4-37.6178.9-69.1-70.5178.2-172.50113N18 L22 I25 V36 L37 N38 F43 M44N18-K40 PolarHBondContact ND2-O 2.93Å; N18-K40 WeakPolarHBondContact OD1-CD 3.24Å; N18-K40 PolarHBondContact OD1-NZ 2.89Å; L22-K40 HydrophobicContact CD1-CB 4.16Å; I25-K40 HydrophobicContact CD1-CG 4.18Å; V36-K40 HydrophobicContact CG1-CG 4.32Å; V36-K40 WeakPolarHBondContact O-CB 3.3Å; V36-K40 VanDerWaalsContact O-CG 3.25Å; V36-K40 WeakPolarHBondContact O-CG 3.34Å; V36-K40 PolarHBondContact O-N 2.97Å; L37-K40 PolarHBondContact O-N 3.2Å; L37-K40 VanDerWaalsContact O-N 3.16Å; N38-K40 VanDerWaalsContact C-N 3.34Å; N38-K40 PolarHBondContact O-N 3.05Å; K40-F43 PolarHBondContact O-N 3.16Å; K40-M44 PolarHBondContact O-N 3.07Å
41L95.9Very high95Very high68 Ų6870.1 Ų70.136%0.35639%0.388SS..Hα-helixtrans-62.4-47.5171.8-74.2165.7000111.2L22 L37 N38 F43 M44 I45L22-L41 HydrophobicContact CD1-CD2 3.82Å; L22-L41 HydrophobicContact CD1-CG 3.97Å; L37-L41 HydrophobicContact CD1-CD1 4.44Å; L37-L41 HydrophobicContact CD1-CG 4.49Å; L37-L41 HydrophobicContact CG-CD1 4.13Å; L37-L41 WeakPolarHBondContact O-CG 3.23Å; L37-L41 PolarHBondContact O-N 2.94Å; N38-L41 PolarHBondContact O-N 3.37Å; L41-F43 VanDerWaalsContact C-N 3.28Å; L41-F43 PolarHBondContact O-N 2.83Å; L41-M44 HydrophobicContact CD2-CE 3.63Å; L41-M44 WeakPolarHBondContact O-CB 3.44Å; L41-M44 PolarHBondContact O-N 2.92Å; L41-M44 VanDerWaalsContact O-N 3.1Å; L41-I45 PolarHBondContact O-N 3.49Å
42N96.1Very high94.8Very high105 Ų10569.6 Ų69.656%0.56138%0.378SS*.Hα-helixtrans-61.6-38.8176-72.5-31.8000111.8N38 Q39 M44 I45 S46N38-N42 PolarHBondContact O-N 2.92Å; N38-N42 PolarHBondContact O-ND2 3.44Å; Q39-N42 PolarHBondContact O-N 3.27Å; N42-M44 VanDerWaalsContact C-N 3.29Å; N42-M44 PolarHBondContact O-N 3.46Å; N42-I45 WeakPolarHBondContact O-CB 3.41Å; N42-I45 PolarHBondContact O-N 2.94Å; N42-I45 VanDerWaalsContact O-N 3.14Å; N42-S46 PolarHBondContact O-N 3.22Å; N42-S46 VanDerWaalsContact O-N 3.1Å; N42-S46 PolarHBondContact O-OG 2.95Å
43F95.8Very high94.7Very high87 Ų8770.5 Ų70.538%0.38237%0.371SS..Hα-helixtrans-64.3-31.6175.1-169.9-92.4000112.8N18 Q39 K40 L41 I45 S46 G47N18-F43 HydrophobicContact CB-CD1 3.81Å; N18-F43 HydrophobicContact CB-CE1 4.06Å; N18-F43 WeakPolarHBondContact OD1-CD1 3.28Å; Q39-F43 WeakPolarHBondContact O-CB 3.37Å; Q39-F43 PolarHBondContact O-N 2.84Å; K40-F43 PolarHBondContact O-N 3.16Å; L41-F43 VanDerWaalsContact C-N 3.28Å; L41-F43 PolarHBondContact O-N 2.83Å; F43-I45 VanDerWaalsContact C-N 3.32Å; F43-I45 PolarHBondContact O-N 2.9Å; F43-S46 WeakPolarHBondContact CA-OG 3.45Å; F43-S46 PolarHBondContact O-OG 3.36Å; F43-S46 VanDerWaalsContact O-OG 3.1Å; F43-G47 WeakPolarHBondContact O-CA 3.35Å; F43-G47 PolarHBondContact O-N 2.92Å
44M94.8Very high94.4Very high44 Ų4469.7 Ų69.722%0.21737%0.365CS..Hα-helixtrans-63.4-40.6172.2-74.3-163.2-63.900111.7F15 N18 I19 L22 K40 L41 N42 G47 L48F15-M44 HydrophobicContact CE2-CB 4.14Å; F15-M44 HydrophobicContact CE2-CG 4.24Å; N18-M44 VanDerWaalsContact ND2-CG 3.25Å; N18-M44 WeakPolarHBondContact ND2-CG 2.83Å; I19-M44 HydrophobicContact CG1-SD 4Å; L22-M44 HydrophobicContact CD1-CE 3.7Å; L22-M44 HydrophobicContact CD1-SD 4.38Å; K40-M44 PolarHBondContact O-N 3.07Å; L41-M44 HydrophobicContact CD2-CE 3.63Å; L41-M44 WeakPolarHBondContact O-CB 3.44Å; L41-M44 PolarHBondContact O-N 2.92Å; L41-M44 VanDerWaalsContact O-N 3.1Å; N42-M44 VanDerWaalsContact C-N 3.29Å; N42-M44 PolarHBondContact O-N 3.46Å; M44-G47 PolarHBondContact O-N 3.3Å; M44-L48 WeakPolarHBondContact O-CG 3.41Å; M44-L48 PolarHBondContact O-N 2.84Å
45I95.4Very high93.9Very high101 Ų10172 Ų7252%0.51838%0.376SS..Hα-helixtrans-63.7-49.6179.3-59.4170.2000109.9L41 N42 F43 G47 Q49L41-I45 PolarHBondContact O-N 3.49Å; N42-I45 WeakPolarHBondContact O-CB 3.41Å; N42-I45 PolarHBondContact O-N 2.94Å; N42-I45 VanDerWaalsContact O-N 3.14Å; F43-I45 VanDerWaalsContact C-N 3.32Å; F43-I45 PolarHBondContact O-N 2.9Å; I45-G47 VanDerWaalsContact C-N 3.35Å; I45-Q49 WeakPolarHBondContact O-CG 3.29Å; I45-Q49 PolarHBondContact O-N 2.79Å
46S95.5Very high93.3Very high40 Ų4076.3 Ų76.328%0.2838%0.381SS..Hα-helixtrans-65.7-38.7177.258.80000112.1N42 F43 L48 Q49 D50N42-S46 PolarHBondContact O-N 3.22Å; N42-S46 VanDerWaalsContact O-N 3.1Å; N42-S46 PolarHBondContact O-OG 2.95Å; F43-S46 WeakPolarHBondContact CA-OG 3.45Å; F43-S46 PolarHBondContact O-OG 3.36Å; F43-S46 VanDerWaalsContact O-OG 3.1Å; S46-L48 PolarHBondContact O-N 3.45Å; S46-Q49 WeakPolarHBondContact O-CB 3.2Å; S46-Q49 PolarHBondContact O-N 3.27Å; S46-Q49 VanDerWaalsContact O-N 3.13Å; S46-D50 VanDerWaalsContact O-CG 3.28Å; S46-D50 PolarHBondContact O-N 3.13Å
47G94.5Very high92.7Very high8 Ų878.1 Ų78.18%0.08239%0.385CS..Hα-helixtrans-61.5-42.9178.700000112.6F43 M44 I45 Q49 D50 I51F43-G47 WeakPolarHBondContact O-CA 3.35Å; F43-G47 PolarHBondContact O-N 2.92Å; M44-G47 PolarHBondContact O-N 3.3Å; I45-G47 VanDerWaalsContact C-N 3.35Å; G47-Q49 VanDerWaalsContact C-N 3.33Å; G47-Q49 PolarHBondContact O-N 3.42Å; G47-D50 PolarHBondContact O-N 3.25Å; G47-I51 VanDerWaalsContact O-CG1 3.3Å; G47-I51 WeakPolarHBondContact O-CG1 3.41Å; G47-I51 PolarHBondContact O-N 3.26Å
48L95.1Very high92.2Very high99 Ų9978.4 Ų78.452%0.51839%0.387SS..Hα-helixtrans-62.2-40.6173.1-74.8171.8000112F15 M44 S46 D50 I51 D52F15-L48 HydrophobicContact CE1-CD2 4.14Å; F15-L48 HydrophobicContact CE2-CD2 4.01Å; F15-L48 HydrophobicContact CE2-CG 3.74Å; F15-L48 HydrophobicContact CZ-CD1 4.39Å; F15-L48 HydrophobicContact CZ-CD2 3.56Å; F15-L48 HydrophobicContact CZ-CG 3.72Å; M44-L48 WeakPolarHBondContact O-CG 3.41Å; M44-L48 PolarHBondContact O-N 2.84Å; S46-L48 PolarHBondContact O-N 3.45Å; L48-D50 VanDerWaalsContact C-N 3.32Å; L48-D50 PolarHBondContact O-N 3.22Å; L48-I51 PolarHBondContact O-N 3.35Å; L48-D52 WeakPolarHBondContact O-CB 3.35Å; L48-D52 PolarHBondContact O-N 3.36Å
49Q94.6Very high91.3Very high109 Ų10982.3 Ų82.351%0.50940%0.402SS..Hα-helixtrans-65.3-35.7176.6-69.5173.5-15.500112.3I45 S46 G47 K53I45-Q49 WeakPolarHBondContact O-CG 3.29Å; I45-Q49 PolarHBondContact O-N 2.79Å; S46-Q49 WeakPolarHBondContact O-CB 3.2Å; S46-Q49 PolarHBondContact O-N 3.27Å; S46-Q49 VanDerWaalsContact O-N 3.13Å; G47-Q49 VanDerWaalsContact C-N 3.33Å; G47-Q49 PolarHBondContact O-N 3.42Å; Q49-K53 VanDerWaalsContact O-CG 3.26Å; Q49-K53 WeakPolarHBondContact O-CG 3.38Å; Q49-K53 PolarHBondContact O-N 3.14Å; Q49-K53 VanDerWaalsContact O-N 3.12Å
50D92.3Very high90.8Very high51 Ų5180.1 Ų80.127%0.27340%0.395SS..Hα-helixtrans-73.8-40.2179.4-67-26.8000111.3S46 G47 L48 D52 K53 C54S46-D50 VanDerWaalsContact O-CG 3.28Å; S46-D50 PolarHBondContact O-N 3.13Å; G47-D50 PolarHBondContact O-N 3.25Å; L48-D50 VanDerWaalsContact C-N 3.32Å; L48-D50 PolarHBondContact O-N 3.22Å; D50-D52 VanDerWaalsContact C-N 3.34Å; D50-D52 PolarHBondContact O-N 3.35Å; D50-K53 WeakPolarHBondContact O-CB 3.45Å; D50-K53 PolarHBondContact O-N 3.06Å; D50-K53 IonicContact OD1-NZ 2.75Å; D50-K53 PolarHBondContact OD1-NZ 3.01Å; D50-C54 PolarHBondContact O-N 3.09Å; D50-C54 VanDerWaalsContact O-N 3.14Å; D50-C54 PolarHBondContact O-SG 3.47Å; D50-C54 VanDerWaalsContact O-SG 3.34Å
51I92.9Very high90.4Very high36 Ų3680.9 Ų80.919%0.18540%0.401CS..Hα-helixtrans-58.9-44.3171-67.6163.1000111L8 H11 L12 F15 G47 L48 K53 C54 Q55L8-I51 HydrophobicContact CD1-CG2 4.1Å; H11-I51 HydrophobicContact CB-CG1 4.12Å; L12-I51 HydrophobicContact CD2-CD1 3.98Å; L12-I51 HydrophobicContact CD2-CG1 4.38Å; L12-I51 HydrophobicContact CD2-CG2 4.41Å; F15-I51 HydrophobicContact CB-CD1 3.87Å; F15-I51 HydrophobicContact CD1-CD1 4.06Å; F15-I51 HydrophobicContact CD2-CD1 4.25Å; F15-I51 HydrophobicContact CG-CD1 3.81Å; G47-I51 VanDerWaalsContact O-CG1 3.3Å; G47-I51 WeakPolarHBondContact O-CG1 3.41Å; G47-I51 PolarHBondContact O-N 3.26Å; L48-I51 PolarHBondContact O-N 3.35Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.87Å; I51-C54 WeakPolarHBondContact O-CB 3.44Å; I51-C54 PolarHBondContact O-N 3.24Å; I51-C54 VanDerWaalsContact O-N 3.16Å; I51-Q55 PolarHBondContact O-N 2.88Å
52D92.1Very high90Very high105 Ų10584.8 Ų84.856%0.56142%0.422SS*.Hα-helixtrans-61.5-39.7177.2-175.670.7000112.1L48 D50 C54 Q55L48-D52 WeakPolarHBondContact O-CB 3.35Å; L48-D52 PolarHBondContact O-N 3.36Å; D50-D52 VanDerWaalsContact C-N 3.34Å; D50-D52 PolarHBondContact O-N 3.35Å; D52-C54 VanDerWaalsContact C-N 3.29Å; D52-C54 PolarHBondContact O-N 3.36Å; D52-Q55 WeakPolarHBondContact O-CB 3.3Å; D52-Q55 PolarHBondContact O-N 3.46Å; D52-Q55 VanDerWaalsContact O-N 3.13Å
53K90.9Very high89.7Confident111 Ų11183.7 Ų83.748%0.48342%0.419SS..Hα-helixtrans-63.5-34.6175.3-69.7165.5-158158.90112.4Q49 D50 I51 Q55 K56Q49-K53 VanDerWaalsContact O-CG 3.26Å; Q49-K53 WeakPolarHBondContact O-CG 3.38Å; Q49-K53 PolarHBondContact O-N 3.14Å; Q49-K53 VanDerWaalsContact O-N 3.12Å; D50-K53 WeakPolarHBondContact O-CB 3.45Å; D50-K53 PolarHBondContact O-N 3.06Å; D50-K53 IonicContact OD1-NZ 2.75Å; D50-K53 PolarHBondContact OD1-NZ 3.01Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.87Å; K53-Q55 PolarHBondContact O-N 3.07Å; K53-K56 PolarHBondContact O-N 3.24Å
54C88.8Confident89.6Confident5 Ų582.2 Ų82.23%0.03442%0.418CS..Hα-helixtrans-62.4-26.5176.8-67.90000112.3L8 D50 I51 D52 K56 Q57L8-C54 HydrophobicContact CB-CB 4.32Å; L8-C54 HydrophobicContact CD1-CB 3.91Å; D50-C54 PolarHBondContact O-N 3.09Å; D50-C54 VanDerWaalsContact O-N 3.14Å; D50-C54 PolarHBondContact O-SG 3.47Å; D50-C54 VanDerWaalsContact O-SG 3.34Å; I51-C54 WeakPolarHBondContact O-CB 3.44Å; I51-C54 PolarHBondContact O-N 3.24Å; I51-C54 VanDerWaalsContact O-N 3.16Å; D52-C54 VanDerWaalsContact C-N 3.29Å; D52-C54 PolarHBondContact O-N 3.36Å; C54-K56 PolarHBondContact O-N 3.29Å; C54-K56 VanDerWaalsContact O-N 3.12Å; C54-Q57 WeakPolarHBondContact O-CB 3.48Å; C54-Q57 PolarHBondContact O-N 3.2Å
55Q84.1Confident89.5Confident131 Ų13186.7 Ų86.761%0.61244%0.442SS*.G310 helixtrans-51.9-38.3177.4-168.8-154.24.800112.4I51 D52 K53 Q57 L58 H59I51-Q55 PolarHBondContact O-N 2.88Å; D52-Q55 WeakPolarHBondContact O-CB 3.3Å; D52-Q55 PolarHBondContact O-N 3.46Å; D52-Q55 VanDerWaalsContact O-N 3.13Å; K53-Q55 PolarHBondContact O-N 3.07Å; Q55-Q57 PolarHBondContact O-N 2.85Å; Q55-Q57 VanDerWaalsContact O-N 3.15Å; Q55-L58 PolarHBondContact O-N 2.9Å; Q55-H59 PolarHBondContact O-N 3.07Å
56K83.6Confident89.3Confident163 Ų16386.7 Ų86.771%0.70944%0.44SS*.G310 helixtrans-60.2-27.9-178.7-64.7-178.9-178.3177.30113K53 C54 L58 H59K53-K56 PolarHBondContact O-N 3.24Å; C54-K56 PolarHBondContact O-N 3.29Å; C54-K56 VanDerWaalsContact O-N 3.12Å; K56-L58 VanDerWaalsContact C-N 3.3Å; K56-H59 PolarHBondContact O-ND1 3.12Å
57Q82.3Confident89.3Confident103 Ų10385.7 Ų85.748%0.48143%0.432SS..G310 helixtrans-81.2-12.1-179.5-60.4179.2-0.400112.7N7 C54 Q55N7-Q57 PolarHBondContact ND2-OE1 3.41Å; C54-Q57 WeakPolarHBondContact O-CB 3.48Å; C54-Q57 PolarHBondContact O-N 3.2Å; Q55-Q57 PolarHBondContact O-N 2.85Å; Q55-Q57 VanDerWaalsContact O-N 3.15Å
58L83.5Confident89.3Confident28 Ų2889.9 Ų89.915%0.14745%0.448CS..G310 helixtrans-118.514.7-171.3-58175.9000113.3F5 L8 Q55 K56 D60 I61F5-L58 HydrophobicContact CD1-CD2 3.88Å; F5-L58 HydrophobicContact CE1-CD2 3.85Å; L8-L58 HydrophobicContact CB-CD1 4.25Å; L8-L58 HydrophobicContact CD2-CD1 3.33Å; L8-L58 HydrophobicContact CG-CD1 4.34Å; Q55-L58 PolarHBondContact O-N 2.9Å; K56-L58 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 3.34Å; L58-D60 VanDerWaalsContact O-N 3.13Å; L58-I61 HydrophobicContact CB-CD1 3.96Å; L58-I61 HydrophobicContact CD2-CD1 3.55Å; L58-I61 HydrophobicContact CG-CD1 4.31Å; L58-I61 PolarHBondContact O-N 3.36Å; L58-I61 VanDerWaalsContact O-N 3.1Å
59H78.7Confident89.3Confident155 Ų15590.7 Ų90.772%0.71845%0.449SS*.THydrogen-bonded Turntrans-63.5-17.7-176.364.5-87.3000114.2Q55 K56 I61Q55-H59 PolarHBondContact O-N 3.07Å; K56-H59 PolarHBondContact O-ND1 3.12Å; H59-I61 VanDerWaalsContact C-N 3.3Å
60D85.1Confident89.3Confident87 Ų8786.6 Ų86.647%0.46543%0.429SS..THydrogen-bonded Turntrans-84.4-2.2177.957.5-30.1000113.3K4 L58K4-D60 IonicContact NZ-OD2 3.53Å; K4-D60 PolarHBondContact NZ-OD2 3.46Å; L58-D60 PolarHBondContact O-N 3.34Å; L58-D60 VanDerWaalsContact O-N 3.13Å
61I86.1Confident89.4Confident63 Ų6388.4 Ų88.432%0.32344%0.438SS..  trans-105.8122.7-173-60.7158.6000110.3F5 L58 H59 V63F5-I61 HydrophobicContact CE1-CD1 3.41Å; F5-I61 VanDerWaalsContact CE1-CD1 3.41Å; F5-I61 HydrophobicContact CE2-CD1 4.36Å; F5-I61 HydrophobicContact CZ-CD1 3.28Å; F5-I61 HydrophobicContact CZ-CG1 4.29Å; L58-I61 HydrophobicContact CB-CD1 3.96Å; L58-I61 HydrophobicContact CD2-CD1 3.55Å; L58-I61 HydrophobicContact CG-CD1 4.31Å; L58-I61 PolarHBondContact O-N 3.36Å; L58-I61 VanDerWaalsContact O-N 3.1Å; H59-I61 VanDerWaalsContact C-N 3.3Å; I61-V63 HydrophobicContact CG2-CG2 4.46Å
62N88.8Confident89.5Confident150 Ų15093.2 Ų93.280%0.80246%0.464SS*.  trans-107.6125.5173.3-67.4-36.9000109.8
63V89.6Confident89.6Confident82 Ų8292.6 Ų92.650%0.49746%0.458SS..  trans-100.7122.4175-176.90000108.5I61 V67 F68I61-V63 HydrophobicContact CG2-CG2 4.46Å; V63-V67 HydrophobicContact CG1-CB 4.27Å; V63-V67 HydrophobicContact CG1-CG1 4.46Å; V63-F68 HydrophobicContact CG1-CE2 4.3Å; V63-F68 HydrophobicContact CG1-CZ 4.35Å
64P93.2Very high89.8Confident55 Ų5590.7 Ų90.736%0.35747%0.47SS..  trans-59138175.2-21.932.3000111.3E66 V67 Y80P64-E66 WeakPolarHBondContact CB-OE2 3.42Å; P64-E66 PolarHBondContact O-N 3.06Å; P64-V67 HydrophobicContact CB-CG2 4.13Å; P64-V67 HydrophobicContact CG-CG2 4.31Å; P64-V67 WeakPolarHBondContact O-CB 3.31Å; P64-V67 PolarHBondContact O-N 3.19Å; P64-V67 VanDerWaalsContact O-N 3.08Å; P64-Y80 HydrophobicContact CB-CE1 3.96Å; P64-Y80 HydrophobicContact CG-CE1 3.98Å
65L92.7Very high90.1Very high138 Ų13897.2 Ų97.272%0.72349%0.493SS*.Hα-helixtrans-64.1-31.9-174.8-71.7176000112.2V67 F68L65-V67 PolarHBondContact O-N 3.08Å; L65-F68 HydrophobicContact CD2-CD2 4.11Å; L65-F68 HydrophobicContact CD2-CE2 4.05Å; L65-F68 WeakPolarHBondContact O-CB 3.38Å; L65-F68 WeakPolarHBondContact O-CD2 3.36Å; L65-F68 PolarHBondContact O-N 3.26Å
66E92.1Very high90.6Very high102 Ų10294.8 Ų94.848%0.47749%0.485SS..Hα-helixtrans-61.2-25.5178.2-59.384.1172.600112.1P64 F68 E69 Y70 Y80P64-E66 WeakPolarHBondContact CB-OE2 3.42Å; P64-E66 PolarHBondContact O-N 3.06Å; E66-F68 VanDerWaalsContact C-N 3.29Å; E66-F68 PolarHBondContact O-N 3.19Å; E66-E69 PolarHBondContact O-N 2.89Å; E66-Y70 VanDerWaalsContact O-CD2 3.29Å; E66-Y70 WeakPolarHBondContact O-CD2 3.49Å; E66-Y80 HydrophobicContact CB-CD2 3.93Å; E66-Y80 HydrophobicContact CB-CE2 3.48Å; E66-Y80 VanDerWaalsContact CB-CE2 3.48Å; E66-Y80 HydrophobicContact CG-CE2 4.14Å
67V95.4Very high91.1Very high18 Ų1889.4 Ų89.411%0.10947%0.467CS..Hα-helixtrans-66.9-32.4176.5176.90000111.4V63 P64 L65 E69 Y70 I71 P77 Y80V63-V67 HydrophobicContact CG1-CB 4.27Å; V63-V67 HydrophobicContact CG1-CG1 4.46Å; P64-V67 HydrophobicContact CB-CG2 4.13Å; P64-V67 HydrophobicContact CG-CG2 4.31Å; P64-V67 WeakPolarHBondContact O-CB 3.31Å; P64-V67 PolarHBondContact O-N 3.19Å; P64-V67 VanDerWaalsContact O-N 3.08Å; L65-V67 PolarHBondContact O-N 3.08Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 PolarHBondContact O-N 3.14Å; V67-Y70 WeakPolarHBondContact O-CB 3.48Å; V67-Y70 PolarHBondContact O-N 3.04Å; V67-Y70 VanDerWaalsContact O-N 3.12Å; V67-I71 HydrophobicContact CG1-CD1 4.19Å; V67-I71 PolarHBondContact O-N 3.36Å; V67-P77 HydrophobicContact CG1-CB 3.84Å; V67-Y80 HydrophobicContact CG2-CD1 3.42Å; V67-Y80 VanDerWaalsContact CG2-CD1 3.42Å; V67-Y80 HydrophobicContact CG2-CE1 3.91Å; V67-Y80 HydrophobicContact CG2-CG 3.82Å
68F94.1Very high91.6Very high96 Ų9691.2 Ų91.242%0.42148%0.475SS..Hα-helixtrans-62-35.9178.2-69-74.8000111.7V63 L65 E66 Y70 I71 D72V63-F68 HydrophobicContact CG1-CE2 4.3Å; V63-F68 HydrophobicContact CG1-CZ 4.35Å; L65-F68 HydrophobicContact CD2-CD2 4.11Å; L65-F68 HydrophobicContact CD2-CE2 4.05Å; L65-F68 WeakPolarHBondContact O-CB 3.38Å; L65-F68 WeakPolarHBondContact O-CD2 3.36Å; L65-F68 PolarHBondContact O-N 3.26Å; E66-F68 VanDerWaalsContact C-N 3.29Å; E66-F68 PolarHBondContact O-N 3.19Å; F68-Y70 VanDerWaalsContact C-N 3.25Å; F68-Y70 PolarHBondContact O-N 2.68Å; F68-I71 PolarHBondContact O-N 3.23Å; F68-D72 PolarHBondContact O-N 3.49Å
69E94.1Very high92.2Very high116 Ų11693.4 Ų93.454%0.54249%0.486SS..Hα-helixtrans-61.5-35176.9-174.5174.9-176.900112.1E66 V67 Q73E66-E69 PolarHBondContact O-N 2.89Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 PolarHBondContact O-N 3.14Å; E69-Q73 WeakPolarHBondContact O-CB 3.42Å; E69-Q73 WeakPolarHBondContact O-CG 3.45Å; E69-Q73 PolarHBondContact O-N 3.25Å; E69-Q73 PolarHBondContact OE1-NE2 3.17Å; E69-Q73 VanDerWaalsContact OE1-NE2 3.13Å
70Y94.4Very high92.9Very high24 Ų2487.9 Ų87.99%0.09446%0.46CS..Hα-helixtrans-67-43.4174-73-104.7000111.1E66 V67 F68 Q73 G74 R75 L79 Y80 E83E66-Y70 VanDerWaalsContact O-CD2 3.29Å; E66-Y70 WeakPolarHBondContact O-CD2 3.49Å; V67-Y70 WeakPolarHBondContact O-CB 3.48Å; V67-Y70 PolarHBondContact O-N 3.04Å; V67-Y70 VanDerWaalsContact O-N 3.12Å; F68-Y70 VanDerWaalsContact C-N 3.25Å; F68-Y70 PolarHBondContact O-N 2.68Å; Y70-Q73 PolarHBondContact O-N 3.4Å; Y70-G74 PolarHBondContact O-N 3.29Å; Y70-R75 HydrophobicContact CD1-CB 4.03Å; Y70-R75 WeakPolarHBondContact O-CA 3.35Å; Y70-R75 WeakPolarHBondContact O-CB 3.46Å; Y70-R75 PolarHBondContact O-N 3.44Å; Y70-L79 HydrophobicContact CD1-CB 4.04Å; Y70-L79 HydrophobicContact CE1-CB 3.68Å; Y70-Y80 HydrophobicContact CE2-CD2 4.01Å; Y70-Y80 HydrophobicContact CE2-CG 4.36Å; Y70-E83 PolarHBondContact OH-OE1 2.88Å; Y70-E83 PolarHBondContact OH-OE2 3.23Å
71I94.8Very high93.3Very high88 Ų8887.6 Ų87.645%0.45146%0.461SS..Hα-helixtrans-64.3-48.7-179.9-62.3170.2000110.6V67 F68 Q73 G74 P77V67-I71 HydrophobicContact CG1-CD1 4.19Å; V67-I71 PolarHBondContact O-N 3.36Å; F68-I71 PolarHBondContact O-N 3.23Å; I71-Q73 PolarHBondContact O-N 2.75Å; I71-G74 WeakPolarHBondContact O-CA 3.5Å; I71-G74 PolarHBondContact O-N 3.1Å; I71-P77 HydrophobicContact CD1-CG 4.36Å; I71-P77 HydrophobicContact CG1-CG 3.72Å
72D94.6Very high93.8Very high138 Ų13890 Ų9074%0.73847%0.469SS*.Hα-helixtrans-62.1-31.4-178.6-70.8-17.2000112.2F68 G74F68-D72 PolarHBondContact O-N 3.49Å; D72-G74 VanDerWaalsContact C-N 3.3Å
73Q95.8Very high94.1Very high92 Ų9286.2 Ų86.243%0.4345%0.447SS..THydrogen-bonded Turntrans-84.90.8175.1-6617620.800113.5E69 Y70 I71 R75E69-Q73 WeakPolarHBondContact O-CB 3.42Å; E69-Q73 WeakPolarHBondContact O-CG 3.45Å; E69-Q73 PolarHBondContact O-N 3.25Å; E69-Q73 PolarHBondContact OE1-NE2 3.17Å; E69-Q73 VanDerWaalsContact OE1-NE2 3.13Å; Y70-Q73 PolarHBondContact O-N 3.4Å; I71-Q73 PolarHBondContact O-N 2.75Å; Q73-R75 HydrophobicContact CB-CG 4.11Å; Q73-R75 PolarHBondContact O-N 3.18Å; Q73-R75 VanDerWaalsContact OE1-CZ 3.24Å
74G94.1Very high94.3Very high71 Ų7184.9 Ų84.973%0.73244%0.44SS*.THydrogen-bonded Turntrans67.421-176.300000114.1Y70 I71 D72Y70-G74 PolarHBondContact O-N 3.29Å; I71-G74 WeakPolarHBondContact O-CA 3.5Å; I71-G74 PolarHBondContact O-N 3.1Å; D72-G74 VanDerWaalsContact C-N 3.3Å
75R95.3Very high94.5Very high141 Ų14187.9 Ų87.953%0.53245%0.453SS..  trans-88.7156.8176.4-63.3-178.3178.5-176.64.7110.6Y70 Q73 P77Y70-R75 HydrophobicContact CD1-CB 4.03Å; Y70-R75 WeakPolarHBondContact O-CA 3.35Å; Y70-R75 WeakPolarHBondContact O-CB 3.46Å; Y70-R75 PolarHBondContact O-N 3.44Å; Q73-R75 HydrophobicContact CB-CG 4.11Å; Q73-R75 PolarHBondContact O-N 3.18Å; Q73-R75 VanDerWaalsContact OE1-CZ 3.24Å; R75-P77 VanDerWaalsContact O-CD 3.26Å; R75-P77 WeakPolarHBondContact O-CD 3.46Å
76N94.6Very high94.7Very high80 Ų8086 Ų8643%0.42844%0.44SS..  trans-68.1120.1175.9-178.3-12000110.7Q78 L79N76-Q78 PolarHBondContact O-N 3.37Å; N76-Q78 VanDerWaalsContact O-N 3.14Å; N76-Q78 VanDerWaalsContact OD1-CB 3.31Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.26Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.44Å; N76-Q78 PolarHBondContact OD1-N 3.02Å; N76-L79 HydrophobicContact CB-CD1 4.36Å; N76-L79 HydrophobicContact CB-CG 4.26Å; N76-L79 VanDerWaalsContact O-CB 3.31Å; N76-L79 WeakPolarHBondContact O-CB 3.32Å; N76-L79 WeakPolarHBondContact O-CG 3.26Å; N76-L79 PolarHBondContact O-N 2.93Å
77P94.6Very high94.9Very high51 Ų5187.1 Ų87.133%0.33144%0.44SS..THydrogen-bonded Turntrans-55.8-27.7176.6-30.339.9000114.7V67 I71 R75 L79 Y80V67-P77 HydrophobicContact CG1-CB 3.84Å; I71-P77 HydrophobicContact CD1-CG 4.36Å; I71-P77 HydrophobicContact CG1-CG 3.72Å; R75-P77 VanDerWaalsContact O-CD 3.26Å; R75-P77 WeakPolarHBondContact O-CD 3.46Å; P77-L79 PolarHBondContact O-N 3.26Å; P77-Y80 WeakPolarHBondContact O-CB 3.5Å; P77-Y80 PolarHBondContact O-N 3.31Å; P77-Y80 VanDerWaalsContact O-N 3.09Å
78Q93Very high95Very high141 Ų14189 Ų8966%0.65946%0.458SS*.Hα-helixtrans-65.3-19.9178.9-64.6-179.6-1700112.9N76 Y80 T81 K82N76-Q78 PolarHBondContact O-N 3.37Å; N76-Q78 VanDerWaalsContact O-N 3.14Å; N76-Q78 VanDerWaalsContact OD1-CB 3.31Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.26Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.44Å; N76-Q78 PolarHBondContact OD1-N 3.02Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.93Å; Q78-T81 WeakPolarHBondContact O-CB 3.31Å; Q78-T81 PolarHBondContact O-N 3.2Å; Q78-K82 PolarHBondContact O-N 2.88Å
79L94.4Very high95.2Very high74 Ų7489.2 Ų89.239%0.38746%0.463SS..Hα-helixtrans-63.1-37173.3-66175000111.2Y70 N76 P77 T81 K82 E83Y70-L79 HydrophobicContact CD1-CB 4.04Å; Y70-L79 HydrophobicContact CE1-CB 3.68Å; N76-L79 HydrophobicContact CB-CD1 4.36Å; N76-L79 HydrophobicContact CB-CG 4.26Å; N76-L79 VanDerWaalsContact O-CB 3.31Å; N76-L79 WeakPolarHBondContact O-CB 3.32Å; N76-L79 WeakPolarHBondContact O-CG 3.26Å; N76-L79 PolarHBondContact O-N 2.93Å; P77-L79 PolarHBondContact O-N 3.26Å; L79-T81 VanDerWaalsContact C-N 3.33Å; L79-T81 PolarHBondContact O-N 3.01Å; L79-K82 WeakPolarHBondContact O-CB 3.5Å; L79-K82 PolarHBondContact O-N 3.24Å; L79-E83 WeakPolarHBondContact O-CG 3.21Å; L79-E83 PolarHBondContact O-N 2.97Å
80Y94.6Very high95.4Very high39 Ų3986.2 Ų86.215%0.15346%0.458CS..Hα-helixtrans-58-47173.7172.8-100.4000111.5P64 E66 V67 Y70 P77 Q78 K82 E83 C84P64-Y80 HydrophobicContact CB-CE1 3.96Å; P64-Y80 HydrophobicContact CG-CE1 3.98Å; E66-Y80 HydrophobicContact CB-CD2 3.93Å; E66-Y80 HydrophobicContact CB-CE2 3.48Å; E66-Y80 VanDerWaalsContact CB-CE2 3.48Å; E66-Y80 HydrophobicContact CG-CE2 4.14Å; V67-Y80 HydrophobicContact CG2-CD1 3.42Å; V67-Y80 VanDerWaalsContact CG2-CD1 3.42Å; V67-Y80 HydrophobicContact CG2-CE1 3.91Å; V67-Y80 HydrophobicContact CG2-CG 3.82Å; Y70-Y80 HydrophobicContact CE2-CD2 4.01Å; Y70-Y80 HydrophobicContact CE2-CG 4.36Å; P77-Y80 WeakPolarHBondContact O-CB 3.5Å; P77-Y80 PolarHBondContact O-N 3.31Å; P77-Y80 VanDerWaalsContact O-N 3.09Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.93Å; Y80-K82 VanDerWaalsContact C-N 3.34Å; Y80-K82 PolarHBondContact O-N 3.46Å; Y80-E83 PolarHBondContact O-N 3.45Å; Y80-C84 VanDerWaalsContact O-CB 3.3Å; Y80-C84 WeakPolarHBondContact O-CB 3.36Å; Y80-C84 PolarHBondContact O-N 3.1Å
81T94.1Very high95.5Very high81 Ų8193.8 Ų93.850%0.49749%0.486SS..Hα-helixtrans-60-46.1177.9-54.70000111Q78 L79 C84 L85Q78-T81 WeakPolarHBondContact O-CB 3.31Å; Q78-T81 PolarHBondContact O-N 3.2Å; L79-T81 VanDerWaalsContact C-N 3.33Å; L79-T81 PolarHBondContact O-N 3.01Å; T81-C84 PolarHBondContact O-N 3.13Å; T81-L85 HydrophobicContact CG2-CD1 4.39Å; T81-L85 WeakPolarHBondContact O-CG 3.47Å; T81-L85 PolarHBondContact O-N 2.76Å; T81-L85 VanDerWaalsContact O-N 3.07Å
82K95.3Very high95.7Very high113 Ų11394.7 Ų94.749%0.49149%0.492SS..Hα-helixtrans-57.8-52.9176.6176.9-176.8169.9-175.90111.3Q78 L79 Y80 C84 L85 E86Q78-K82 PolarHBondContact O-N 2.88Å; L79-K82 WeakPolarHBondContact O-CB 3.5Å; L79-K82 PolarHBondContact O-N 3.24Å; Y80-K82 VanDerWaalsContact C-N 3.34Å; Y80-K82 PolarHBondContact O-N 3.46Å; K82-C84 VanDerWaalsContact C-N 3.28Å; K82-C84 PolarHBondContact O-N 2.89Å; K82-L85 WeakPolarHBondContact O-CB 3.39Å; K82-L85 PolarHBondContact O-N 2.96Å; K82-E86 WeakPolarHBondContact CE-OE1 3.3Å; K82-E86 HydrophobicContact CG-CG 4.5Å; K82-E86 IonicContact NZ-OE1 2.7Å; K82-E86 WeakPolarHBondContact O-CG 3.44Å; K82-E86 PolarHBondContact O-N 2.66Å
83E94.3Very high95.9Very high71 Ų7194.1 Ų94.133%0.33249%0.485SS..Hα-helixtrans-63.6-35.5-179-69.2-175.5-18000112.5Y70 L79 Y80 L85 E86 R87Y70-E83 PolarHBondContact OH-OE1 2.88Å; Y70-E83 PolarHBondContact OH-OE2 3.23Å; L79-E83 WeakPolarHBondContact O-CG 3.21Å; L79-E83 PolarHBondContact O-N 2.97Å; Y80-E83 PolarHBondContact O-N 3.45Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-E86 PolarHBondContact O-N 3.42Å; E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 VanDerWaalsContact O-CG 3.3Å; E83-R87 WeakPolarHBondContact O-CG 3.33Å; E83-R87 PolarHBondContact O-N 3.35Å; E83-R87 IonicContact OE2-NH1 2.66Å; E83-R87 PolarHBondContact OE2-NH1 3.48Å
84C94.8Very high96Very high54 Ų5495.3 Ų95.337%0.36549%0.49SS..Hα-helixtrans-61.6-45.3176-171.60000111Y80 T81 K82 R87 A88Y80-C84 VanDerWaalsContact O-CB 3.3Å; Y80-C84 WeakPolarHBondContact O-CB 3.36Å; Y80-C84 PolarHBondContact O-N 3.1Å; T81-C84 PolarHBondContact O-N 3.13Å; K82-C84 VanDerWaalsContact C-N 3.28Å; K82-C84 PolarHBondContact O-N 2.89Å; C84-R87 PolarHBondContact O-N 2.92Å; C84-A88 WeakPolarHBondContact O-CB 3.48Å; C84-A88 PolarHBondContact O-N 3.21Å
85L96.4Very high96.2Very high118 Ų11895 Ų9562%0.61848%0.475SS*.Hα-helixtrans-63.2-44.4175.3-69.4171000111.7T81 K82 E83 A88 L89T81-L85 HydrophobicContact CG2-CD1 4.39Å; T81-L85 WeakPolarHBondContact O-CG 3.47Å; T81-L85 PolarHBondContact O-N 2.76Å; T81-L85 VanDerWaalsContact O-N 3.07Å; K82-L85 WeakPolarHBondContact O-CB 3.39Å; K82-L85 PolarHBondContact O-N 2.96Å; E83-L85 VanDerWaalsContact C-N 3.34Å; L85-A88 PolarHBondContact O-N 2.95Å; L85-L89 WeakPolarHBondContact O-CB 3.34Å; L85-L89 PolarHBondContact O-N 2.86Å
86E97.4Very high96.3Very high99 Ų9994.4 Ų94.446%0.46348%0.476SS..Hα-helixtrans-62.8-43.8177.6-72.1175.3167.600111.7K82 E83 A88 L89 A90K82-E86 WeakPolarHBondContact CE-OE1 3.3Å; K82-E86 HydrophobicContact CG-CG 4.5Å; K82-E86 IonicContact NZ-OE1 2.7Å; K82-E86 WeakPolarHBondContact O-CG 3.44Å; K82-E86 PolarHBondContact O-N 2.66Å; E83-E86 PolarHBondContact O-N 3.42Å; E86-A88 PolarHBondContact O-N 3.03Å; E86-L89 PolarHBondContact O-N 2.98Å; E86-A90 WeakPolarHBondContact O-CB 3.34Å; E86-A90 PolarHBondContact O-N 3.16Å
87R96.5Very high96.5Very high124 Ų12492.1 Ų92.147%0.46847%0.471SS..Hα-helixtrans-62.5-41.4174.4-75.9-171.6-64-960.4111.8E83 C84 R91E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 VanDerWaalsContact O-CG 3.3Å; E83-R87 WeakPolarHBondContact O-CG 3.33Å; E83-R87 PolarHBondContact O-N 3.35Å; E83-R87 IonicContact OE2-NH1 2.66Å; E83-R87 PolarHBondContact OE2-NH1 3.48Å; C84-R87 PolarHBondContact O-N 2.92Å; R87-R91 VanDerWaalsContact O-CB 3.24Å; R87-R91 WeakPolarHBondContact O-CB 3.24Å; R87-R91 PolarHBondContact O-N 3.36Å
88A97.8Very high96.7Very high58 Ų5896 Ų9648%0.47948%0.482SS..Hα-helixtrans-64-43.8177.600000111.3C84 L85 E86 R91 N92C84-A88 WeakPolarHBondContact O-CB 3.48Å; C84-A88 PolarHBondContact O-N 3.21Å; L85-A88 PolarHBondContact O-N 2.95Å; E86-A88 PolarHBondContact O-N 3.03Å; A88-R91 PolarHBondContact O-N 2.91Å; A88-N92 WeakPolarHBondContact O-CB 3.48Å; A88-N92 PolarHBondContact O-N 3.34Å
89L97.9Very high96.9Very high100 Ų10093.9 Ų93.952%0.52448%0.475SS..Hα-helixtrans-61.1-53.4176-18063.6000111.3L85 E86 R91 N92 E93L85-L89 WeakPolarHBondContact O-CB 3.34Å; L85-L89 PolarHBondContact O-N 2.86Å; E86-L89 PolarHBondContact O-N 2.98Å; L89-R91 VanDerWaalsContact C-N 3.27Å; L89-R91 PolarHBondContact O-N 2.9Å; L89-N92 WeakPolarHBondContact O-CB 3.43Å; L89-N92 PolarHBondContact O-N 3.43Å; L89-E93 HydrophobicContact CD1-CG 4.45Å; L89-E93 WeakPolarHBondContact O-CG 3.38Å; L89-E93 PolarHBondContact O-N 2.86Å
90A98.2Very high97Very high54 Ų5494.5 Ų94.545%0.44648%0.479SS..Hα-helixtrans-58.8-40.4179.900000111.8E86 Q94E86-A90 WeakPolarHBondContact O-CB 3.34Å; E86-A90 PolarHBondContact O-N 3.16Å; A90-Q94 VanDerWaalsContact O-CB 3.29Å; A90-Q94 WeakPolarHBondContact O-CB 3.37Å; A90-Q94 PolarHBondContact O-N 3.29Å
91R97.9Very high97.2Very high182 Ų18297.3 Ų97.369%0.68750%0.5SS*.Hα-helixtrans-67.1-38.6176.5-171.1169-176.6155.1-0.4112R87 A88 L89 Q94 V95R87-R91 VanDerWaalsContact O-CB 3.24Å; R87-R91 WeakPolarHBondContact O-CB 3.24Å; R87-R91 PolarHBondContact O-N 3.36Å; A88-R91 PolarHBondContact O-N 2.91Å; L89-R91 VanDerWaalsContact C-N 3.27Å; L89-R91 PolarHBondContact O-N 2.9Å; R91-Q94 PolarHBondContact O-N 2.91Å; R91-V95 HydrophobicContact CG-CG2 4.49Å; R91-V95 WeakPolarHBondContact O-CB 3.42Å; R91-V95 VanDerWaalsContact O-CG2 3.23Å; R91-V95 WeakPolarHBondContact O-CG2 3.39Å; R91-V95 PolarHBondContact O-N 2.83Å
92N98.2Very high97.4Very high108 Ų10899.4 Ų99.458%0.57851%0.506SS*.Hα-helixtrans-63.4-49.5176.3-172.84000111A88 L89 Q94 V95 K96A88-N92 WeakPolarHBondContact O-CB 3.48Å; A88-N92 PolarHBondContact O-N 3.34Å; L89-N92 WeakPolarHBondContact O-CB 3.43Å; L89-N92 PolarHBondContact O-N 3.43Å; N92-Q94 VanDerWaalsContact C-N 3.32Å; N92-Q94 PolarHBondContact O-N 3.09Å; N92-V95 PolarHBondContact O-N 3.45Å; N92-K96 WeakPolarHBondContact O-CB 3.34Å; N92-K96 PolarHBondContact O-N 3.16Å
93E98.3Very high97.4Very high125 Ų12597 Ų9758%0.58450%0.5SS*.Hα-helixtrans-59.3-43.4176.6-68.9179.6156.200111.8L89 V95 K96 G97L89-E93 HydrophobicContact CD1-CG 4.45Å; L89-E93 WeakPolarHBondContact O-CG 3.38Å; L89-E93 PolarHBondContact O-N 2.86Å; E93-V95 PolarHBondContact O-N 2.87Å; E93-K96 PolarHBondContact O-N 2.89Å; E93-G97 PolarHBondContact O-N 3.39Å
94Q98.2Very high97.5Very high117 Ų117100.7 Ų100.755%0.54752%0.515SS..Hα-helixtrans-62-44.3176.5-171-172.315.600112A90 R91 N92 G97 K98A90-Q94 VanDerWaalsContact O-CB 3.29Å; A90-Q94 WeakPolarHBondContact O-CB 3.37Å; A90-Q94 PolarHBondContact O-N 3.29Å; R91-Q94 PolarHBondContact O-N 2.91Å; N92-Q94 VanDerWaalsContact C-N 3.32Å; N92-Q94 PolarHBondContact O-N 3.09Å; Q94-G97 PolarHBondContact O-N 3.32Å; Q94-K98 WeakPolarHBondContact O-CG 3.41Å; Q94-K98 PolarHBondContact O-N 3.43Å; Q94-K98 VanDerWaalsContact O-N 3.1Å
95V98.1Very high97.6Very high66 Ų66103.8 Ų103.840%0.452%0.523SS..Hα-helixtrans-66.3-42.8178.4169.90000110.6R91 N92 E93 G97 K98 I99R91-V95 HydrophobicContact CG-CG2 4.49Å; R91-V95 WeakPolarHBondContact O-CB 3.42Å; R91-V95 VanDerWaalsContact O-CG2 3.23Å; R91-V95 WeakPolarHBondContact O-CG2 3.39Å; R91-V95 PolarHBondContact O-N 2.83Å; N92-V95 PolarHBondContact O-N 3.45Å; E93-V95 PolarHBondContact O-N 2.87Å; V95-G97 PolarHBondContact O-N 3.1Å; V95-K98 WeakPolarHBondContact O-CB 3.42Å; V95-K98 PolarHBondContact O-N 3.14Å; V95-I99 HydrophobicContact CG1-CD1 3.99Å; V95-I99 WeakPolarHBondContact O-CG1 3.29Å; V95-I99 PolarHBondContact O-N 3.42Å
96K98Very high97.5Very high128 Ų128100.9 Ų100.956%0.55751%0.505SS*.Hα-helixtrans-58.3-47.7174.6-176.5176.7173.1178.50111.6N92 E93 K98 I99 D100N92-K96 WeakPolarHBondContact O-CB 3.34Å; N92-K96 PolarHBondContact O-N 3.16Å; E93-K96 PolarHBondContact O-N 2.89Å; K96-K98 VanDerWaalsContact C-N 3.27Å; K96-K98 PolarHBondContact O-N 3.5Å; K96-I99 WeakPolarHBondContact O-CB 3.45Å; K96-I99 PolarHBondContact O-N 2.96Å; K96-I99 VanDerWaalsContact O-N 3.07Å; K96-D100 VanDerWaalsContact O-CG 3.31Å; K96-D100 PolarHBondContact O-N 3.41Å
97G98.3Very high97.2Very high31 Ų3199.6 Ų99.632%0.3251%0.507SS..Hα-helixtrans-60.5-3517700000113.5E93 Q94 V95 T101E93-G97 PolarHBondContact O-N 3.39Å; Q94-G97 PolarHBondContact O-N 3.32Å; V95-G97 PolarHBondContact O-N 3.1Å; G97-T101 WeakPolarHBondContact O-CB 3.34Å; G97-T101 PolarHBondContact O-N 3.06Å; G97-T101 PolarHBondContact O-OG1 3.22Å
98K98.1Very high97.2Very high132 Ų13298.5 Ų98.557%0.57451%0.51SS*.Hα-helixtrans-66.6-43.1172.9-73.5176.2-179.91790112Q94 V95 K96 M102Q94-K98 WeakPolarHBondContact O-CG 3.41Å; Q94-K98 PolarHBondContact O-N 3.43Å; Q94-K98 VanDerWaalsContact O-N 3.1Å; V95-K98 WeakPolarHBondContact O-CB 3.42Å; V95-K98 PolarHBondContact O-N 3.14Å; K96-K98 VanDerWaalsContact C-N 3.27Å; K96-K98 PolarHBondContact O-N 3.5Å; K98-M102 VanDerWaalsContact O-CB 3.32Å; K98-M102 WeakPolarHBondContact O-CB 3.25Å; K98-M102 PolarHBondContact O-N 3.4Å
99I97.7Very high97Very high97 Ų9799.5 Ų99.550%0.49751%0.507SS..Hα-helixtrans-60.7-50.9176.1-68.5167.3000109.5V95 K96 T101 M102 T103V95-I99 HydrophobicContact CG1-CD1 3.99Å; V95-I99 WeakPolarHBondContact O-CG1 3.29Å; V95-I99 PolarHBondContact O-N 3.42Å; K96-I99 WeakPolarHBondContact O-CB 3.45Å; K96-I99 PolarHBondContact O-N 2.96Å; K96-I99 VanDerWaalsContact O-N 3.07Å; I99-T101 VanDerWaalsContact C-N 3.32Å; I99-T101 PolarHBondContact O-N 3.13Å; I99-M102 PolarHBondContact O-N 3.48Å; I99-T103 WeakPolarHBondContact O-CB 3.32Å; I99-T103 PolarHBondContact O-N 3.45Å; I99-T103 PolarHBondContact O-OG1 3.16Å; I99-T103 VanDerWaalsContact O-OG1 3.05Å
100D97.8Very high96.7Very high88 Ų8896.8 Ų96.847%0.47149%0.492SS..Hα-helixtrans-59.8-43.7-178.5-65.9-17.1000111.5K96 T103 K104K96-D100 VanDerWaalsContact O-CG 3.31Å; K96-D100 PolarHBondContact O-N 3.41Å; D100-T103 PolarHBondContact O-N 3.5Å; D100-K104 WeakPolarHBondContact O-CB 3.45Å; D100-K104 PolarHBondContact O-N 3.43Å
101T98Very high96.4Very high98 Ų9897 Ų9760%0.60149%0.491SS*.Hα-helixtrans-64.3-44.3177.4-58.80000111.6G97 I99 K104 F105G97-T101 WeakPolarHBondContact O-CB 3.34Å; G97-T101 PolarHBondContact O-N 3.06Å; G97-T101 PolarHBondContact O-OG1 3.22Å; I99-T101 VanDerWaalsContact C-N 3.32Å; I99-T101 PolarHBondContact O-N 3.13Å; T101-K104 PolarHBondContact O-N 3.48Å; T101-F105 WeakPolarHBondContact O-CB 3.25Å; T101-F105 PolarHBondContact O-N 3.22Å
102M97.6Very high96.2Very high125 Ų12593 Ų9362%0.61648%0.48SS*.Hα-helixtrans-66.5-41179.5-170.761.471.400111.4K98 I99 F105 K106K98-M102 VanDerWaalsContact O-CB 3.32Å; K98-M102 WeakPolarHBondContact O-CB 3.25Å; K98-M102 PolarHBondContact O-N 3.4Å; I99-M102 PolarHBondContact O-N 3.48Å; M102-F105 PolarHBondContact O-N 3.46Å; M102-F105 HydrophobicContact SD-CD1 4.33Å; M102-K106 VanDerWaalsContact O-CB 3.28Å; M102-K106 WeakPolarHBondContact O-CB 3.12Å; M102-K106 PolarHBondContact O-N 3Å
103T95.8Very high96Very high62 Ų6290.8 Ų90.838%0.3847%0.468SS..Hα-helixtrans-62.1-45.7174.6-62.40000110.9I99 D100 K106 S107I99-T103 WeakPolarHBondContact O-CB 3.32Å; I99-T103 PolarHBondContact O-N 3.45Å; I99-T103 PolarHBondContact O-OG1 3.16Å; I99-T103 VanDerWaalsContact O-OG1 3.05Å; D100-T103 PolarHBondContact O-N 3.5Å; T103-K106 WeakPolarHBondContact O-CB 3.5Å; T103-K106 PolarHBondContact O-N 3.36Å; T103-S107 PolarHBondContact O-N 3.12Å; T103-S107 PolarHBondContact O-OG 3.01Å
104K96.8Very high95.6Very high148 Ų14886.6 Ų86.664%0.64345%0.452SS*.Hα-helixtrans-62.7-45.1176.1-173.5176.5-177.7177.70112.1D100 T101 S107 L108D100-K104 WeakPolarHBondContact O-CB 3.45Å; D100-K104 PolarHBondContact O-N 3.43Å; T101-K104 PolarHBondContact O-N 3.48Å; K104-S107 PolarHBondContact O-N 3.5Å; K104-L108 HydrophobicContact CG-CD1 4.3Å; K104-L108 WeakPolarHBondContact O-CG 2.89Å; K104-L108 PolarHBondContact O-N 3.12Å
105F96.9Very high95.4Very high120 Ų12087.5 Ų87.553%0.52645%0.454SS..Hα-helixtrans-59.7-47.4176.7174.8-107.7000111.3T101 M102 S107 L108 L109T101-F105 WeakPolarHBondContact O-CB 3.25Å; T101-F105 PolarHBondContact O-N 3.22Å; M102-F105 PolarHBondContact O-N 3.46Å; M102-F105 HydrophobicContact SD-CD1 4.33Å; F105-S107 VanDerWaalsContact C-N 3.33Å; F105-S107 PolarHBondContact O-N 3.13Å; F105-L108 PolarHBondContact O-N 3.36Å; F105-L109 HydrophobicContact CE1-CD2 4.1Å; F105-L109 HydrophobicContact CZ-CD2 4.26Å; F105-L109 VanDerWaalsContact O-CB 3.3Å; F105-L109 WeakPolarHBondContact O-CB 3.3Å; F105-L109 PolarHBondContact O-N 2.61Å
106K93.3Very high95.2Very high56 Ų5688.9 Ų88.924%0.24346%0.462CS..Hα-helixtrans-54.7-47.9174.8173.4-169.4167.4-173.80111.4M102 T103 L109 I110M102-K106 VanDerWaalsContact O-CB 3.28Å; M102-K106 WeakPolarHBondContact O-CB 3.12Å; M102-K106 PolarHBondContact O-N 3Å; T103-K106 WeakPolarHBondContact O-CB 3.5Å; T103-K106 PolarHBondContact O-N 3.36Å; K106-L109 PolarHBondContact O-N 2.81Å; K106-I110 HydrophobicContact CG-CD1 3.87Å; K106-I110 WeakPolarHBondContact O-CB 3.4Å; K106-I110 VanDerWaalsContact O-CG1 3.28Å; K106-I110 WeakPolarHBondContact O-CG1 3.46Å; K106-I110 PolarHBondContact O-N 3.05Å
107S92.9Very high95Very high72 Ų7287.7 Ų87.750%0.50346%0.457SS..Hα-helixtrans-62.9-43.1179.8-63.20000112.5T103 K104 F105 I110 S111T103-S107 PolarHBondContact O-N 3.12Å; T103-S107 PolarHBondContact O-OG 3.01Å; K104-S107 PolarHBondContact O-N 3.5Å; F105-S107 VanDerWaalsContact C-N 3.33Å; F105-S107 PolarHBondContact O-N 3.13Å; S107-I110 PolarHBondContact O-N 2.89Å; S107-S111 PolarHBondContact O-N 3.5Å
108L95.6Very high94.7Very high102 Ų10290.1 Ų90.153%0.53447%0.468SS..Hα-helixtrans-65.4-43.6176.3-69.7172.3000111.7K104 F105 I110 S111 E112K104-L108 HydrophobicContact CG-CD1 4.3Å; K104-L108 WeakPolarHBondContact O-CG 2.89Å; K104-L108 PolarHBondContact O-N 3.12Å; F105-L108 PolarHBondContact O-N 3.36Å; L108-I110 PolarHBondContact O-N 3.15Å; L108-S111 WeakPolarHBondContact O-CB 3.36Å; L108-S111 PolarHBondContact O-N 3.1Å; L108-S111 VanDerWaalsContact O-N 3.15Å; L108-E112 PolarHBondContact O-N 3.01Å
109L93.7Very high94.3Very high78 Ų7890.4 Ų90.441%0.40847%0.471SS..Hα-helixtrans-61.2-45.3177.7-178.262.8000111.3F105 K106 S111 E112 L113F105-L109 HydrophobicContact CE1-CD2 4.1Å; F105-L109 HydrophobicContact CZ-CD2 4.26Å; F105-L109 VanDerWaalsContact O-CB 3.3Å; F105-L109 WeakPolarHBondContact O-CB 3.3Å; F105-L109 PolarHBondContact O-N 2.61Å; K106-L109 PolarHBondContact O-N 2.81Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.22Å; L109-E112 PolarHBondContact O-N 3.27Å; L109-L113 HydrophobicContact CD1-CD1 3.97Å; L109-L113 HydrophobicContact CD1-CG 4.09Å; L109-L113 HydrophobicContact CG-CD1 3.84Å; L109-L113 HydrophobicContact CG-CG 4.36Å; L109-L113 VanDerWaalsContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CB 3.28Å; L109-L113 VanDerWaalsContact O-CG 3.26Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 3.34Å
110I91Very high94Very high44 Ų4490.7 Ų90.723%0.22647%0.47CS..Hα-helixtrans-60.6-40.6175.1-72169.4000110.7K106 S107 L108 S114 M121K106-I110 HydrophobicContact CG-CD1 3.87Å; K106-I110 WeakPolarHBondContact O-CB 3.4Å; K106-I110 VanDerWaalsContact O-CG1 3.28Å; K106-I110 WeakPolarHBondContact O-CG1 3.46Å; K106-I110 PolarHBondContact O-N 3.05Å; S107-I110 PolarHBondContact O-N 2.89Å; L108-I110 PolarHBondContact O-N 3.15Å; I110-S114 VanDerWaalsContact O-CB 3.29Å; I110-S114 WeakPolarHBondContact O-CB 3.5Å; I110-S114 PolarHBondContact O-N 3.36Å; I110-S114 PolarHBondContact O-OG 3.37Å; I110-M121 HydrophobicContact CB-CE 4.28Å; I110-M121 HydrophobicContact CG1-CE 4.29Å; I110-M121 HydrophobicContact CG2-CE 3.8Å
111S91.8Very high93.6Very high58 Ų5887.3 Ų87.341%0.40645%0.452SS..Hα-helixtrans-62.8-49.5178.1-173.20000112.1S107 L108 L109 S114 K115S107-S111 PolarHBondContact O-N 3.5Å; L108-S111 WeakPolarHBondContact O-CB 3.36Å; L108-S111 PolarHBondContact O-N 3.1Å; L108-S111 VanDerWaalsContact O-N 3.15Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.22Å; S111-S114 PolarHBondContact O-N 3.14Å; S111-K115 PolarHBondContact O-N 3.31Å
112E95Very high93.1Very high98 Ų9885 Ų8546%0.45844%0.443SS..Hα-helixtrans-67.6-42.8179.4-68.4-53.4132.600112.3L108 L109 S114 K115 V116L108-E112 PolarHBondContact O-N 3.01Å; L109-E112 PolarHBondContact O-N 3.27Å; E112-S114 VanDerWaalsContact C-N 3.26Å; E112-S114 PolarHBondContact O-N 3.1Å; E112-K115 WeakPolarHBondContact O-CB 3.48Å; E112-K115 PolarHBondContact O-N 2.78Å; E112-K115 VanDerWaalsContact O-N 3.07Å; E112-K115 IonicContact OE1-NZ 3.67Å; E112-K115 PolarHBondContact OE1-NZ 2.81Å; E112-K115 IonicContact OE2-NZ 2.89Å; E112-V116 PolarHBondContact O-N 2.98Å
113L92.8Very high92.7Very high62 Ų6285.2 Ų85.233%0.32544%0.44SS..Hα-helixtrans-62-35.3175.4-71.2174.7000112L109 K115 V116 F117 M121L109-L113 HydrophobicContact CD1-CD1 3.97Å; L109-L113 HydrophobicContact CD1-CG 4.09Å; L109-L113 HydrophobicContact CG-CD1 3.84Å; L109-L113 HydrophobicContact CG-CG 4.36Å; L109-L113 VanDerWaalsContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CB 3.28Å; L109-L113 VanDerWaalsContact O-CG 3.26Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 3.34Å; L113-K115 PolarHBondContact O-N 2.99Å; L113-V116 PolarHBondContact O-N 3.01Å; L113-F117 HydrophobicContact CD2-CD2 4.1Å; L113-F117 HydrophobicContact CD2-CE2 4.47Å; L113-F117 CarbonylContact O-C 3.58Å; L113-F117 WeakPolarHBondContact O-CA 3.33Å; L113-F117 PolarHBondContact O-N 2.75Å; L113-M121 HydrophobicContact CB-CE 4.4Å; L113-M121 HydrophobicContact CB-CG 3.93Å; L113-M121 HydrophobicContact CB-SD 3.7Å; L113-M121 HydrophobicContact CD1-SD 4.26Å
114S90.7Very high92.2Very high36 Ų3687 Ų8725%0.25244%0.44SS..Hα-helixtrans-67-24.2177-58.90000112.8I110 S111 E112I110-S114 VanDerWaalsContact O-CB 3.29Å; I110-S114 WeakPolarHBondContact O-CB 3.5Å; I110-S114 PolarHBondContact O-N 3.36Å; I110-S114 PolarHBondContact O-OG 3.37Å; S111-S114 PolarHBondContact O-N 3.14Å; E112-S114 VanDerWaalsContact C-N 3.26Å; E112-S114 PolarHBondContact O-N 3.1Å
115K92.6Very high91.7Very high136 Ų13685.3 Ų85.359%0.59143%0.433SS*.Hα-helixtrans-79.4-39174.8-64.4171-170.7168.60112S111 E112 L113S111-K115 PolarHBondContact O-N 3.31Å; E112-K115 WeakPolarHBondContact O-CB 3.48Å; E112-K115 PolarHBondContact O-N 2.78Å; E112-K115 VanDerWaalsContact O-N 3.07Å; E112-K115 IonicContact OE1-NZ 3.67Å; E112-K115 PolarHBondContact OE1-NZ 2.81Å; E112-K115 IonicContact OE2-NZ 2.89Å; L113-K115 PolarHBondContact O-N 2.99Å
116V95.3Very high91.2Very high95 Ų9586.1 Ų86.158%0.57644%0.443SS*.Hα-helixtrans-87.3-35.8-174.1-174.70000112.3E112 L113E112-V116 PolarHBondContact O-N 2.98Å; L113-V116 PolarHBondContact O-N 3.01Å
117F93.7Very high90.9Very high103 Ų10390.7 Ų90.745%0.45247%0.469SS..  trans-133.669.4-173.6-57.9-72.6000111.6L113 E119 E120 M121L113-F117 HydrophobicContact CD2-CD2 4.1Å; L113-F117 HydrophobicContact CD2-CE2 4.47Å; L113-F117 CarbonylContact O-C 3.58Å; L113-F117 WeakPolarHBondContact O-CA 3.33Å; L113-F117 PolarHBondContact O-N 2.75Å; F117-E119 PolarHBondContact O-N 3.1Å; F117-E120 HydrophobicContact CB-CB 4.26Å; F117-M121 WeakPolarHBondContact O-CB 3.44Å; F117-M121 VanDerWaalsContact O-CG 3.27Å; F117-M121 WeakPolarHBondContact O-CG 3.47Å; F117-M121 PolarHBondContact O-N 3.4Å
118P90.9Very high90.2Very high83 Ų8392.6 Ų92.654%0.53947%0.465SS..Hα-helixtrans-67-37.1-170.724.1-32.7000114A122P118-A122 PolarHBondContact O-N 3.22Å
119E90.6Very high88.5Confident137 Ų13789.5 Ų89.564%0.6446%0.458SS*.Hα-helixtrans-72.4-41-178.4-66.8-169.8177.900112.2F117 M121 A122 K123F117-E119 PolarHBondContact O-N 3.1Å; E119-M121 VanDerWaalsContact C-N 3.34Å; E119-A122 PolarHBondContact O-N 3.33Å; E119-K123 WeakPolarHBondContact O-CG 3.37Å; E119-K123 PolarHBondContact O-N 2.57Å
120E90.9Very high86.6Confident104 Ų10495.7 Ų95.749%0.48648%0.484SS..Hα-helixtrans-66.4-39.5176.3-65.176.8-174.500110.8F117 K123 Y124F117-E120 HydrophobicContact CB-CB 4.26Å; E120-K123 PolarHBondContact O-N 3Å; E120-Y124 WeakPolarHBondContact O-CB 3.4Å; E120-Y124 PolarHBondContact O-N 3.19Å
121M89.8Confident84.8Confident16 Ų16100.8 Ų100.88%0.07951%0.512CS..Hα-helixtrans-70.3-30.8177-75.4-59.3-6000113.1I110 L113 F117 E119 Y124 K125I110-M121 HydrophobicContact CB-CE 4.28Å; I110-M121 HydrophobicContact CG1-CE 4.29Å; I110-M121 HydrophobicContact CG2-CE 3.8Å; L113-M121 HydrophobicContact CB-CE 4.4Å; L113-M121 HydrophobicContact CB-CG 3.93Å; L113-M121 HydrophobicContact CB-SD 3.7Å; L113-M121 HydrophobicContact CD1-SD 4.26Å; F117-M121 WeakPolarHBondContact O-CB 3.44Å; F117-M121 VanDerWaalsContact O-CG 3.27Å; F117-M121 WeakPolarHBondContact O-CG 3.47Å; F117-M121 PolarHBondContact O-N 3.4Å; E119-M121 VanDerWaalsContact C-N 3.34Å; M121-Y124 HydrophobicContact CE-CD1 3.92Å; M121-Y124 HydrophobicContact CE-CE1 4.49Å; M121-Y124 PolarHBondContact O-N 2.99Å; M121-Y124 HydrophobicContact SD-CD1 4.35Å; M121-K125 WeakPolarHBondContact O-CG 3.26Å; M121-K125 PolarHBondContact O-N 3.1Å
122A87.1Confident82.7Confident50 Ų50100.5 Ų100.541%0.41352%0.518SS..Hα-helixtrans-63.2-50.1170.800000110.9P118 E119 Y124 K125 D126P118-A122 PolarHBondContact O-N 3.22Å; E119-A122 PolarHBondContact O-N 3.33Å; A122-Y124 VanDerWaalsContact C-N 3.3Å; A122-Y124 PolarHBondContact O-N 3.37Å; A122-K125 PolarHBondContact O-N 3.49Å; A122-K125 VanDerWaalsContact O-N 3.16Å; A122-D126 PolarHBondContact O-N 3Å
123K89.4Confident80.6Confident130 Ų130100.1 Ų100.157%0.56552%0.524SS*.Hα-helixtrans-58.7-40.8175-67.1170.8-173.3166.80112.3E119 E120 D126 I127E119-K123 WeakPolarHBondContact O-CG 3.37Å; E119-K123 PolarHBondContact O-N 2.57Å; E120-K123 PolarHBondContact O-N 3Å; K123-D126 PolarHBondContact O-N 3.45Å; K123-I127 WeakPolarHBondContact O-CD1 3.49Å; K123-I127 VanDerWaalsContact O-CG1 3.27Å; K123-I127 WeakPolarHBondContact O-CG1 3.45Å; K123-I127 PolarHBondContact O-N 3.43Å; K123-I127 VanDerWaalsContact O-N 3.08Å
124Y86.4Confident78.1Confident98 Ų98106.4 Ų106.438%0.38457%0.573SS.*Hα-helixtrans-61.7-42.9176.7174.5-101.5000112.5E120 M121 A122 I127 R128E120-Y124 WeakPolarHBondContact O-CB 3.4Å; E120-Y124 PolarHBondContact O-N 3.19Å; M121-Y124 HydrophobicContact CE-CD1 3.92Å; M121-Y124 HydrophobicContact CE-CE1 4.49Å; M121-Y124 PolarHBondContact O-N 2.99Å; M121-Y124 HydrophobicContact SD-CD1 4.35Å; A122-Y124 VanDerWaalsContact C-N 3.3Å; A122-Y124 PolarHBondContact O-N 3.37Å; Y124-I127 PolarHBondContact O-N 3.49Å; Y124-R128 WeakPolarHBondContact O-CB 3.42Å; Y124-R128 PolarHBondContact O-N 3.27Å; Y124-R128 VanDerWaalsContact OH-CZ 3.29Å; Y124-R128 PolarHBondContact OH-NH1 3.22Å
125K85.3Confident77.5Confident114 Ų114109.9 Ų109.950%0.49659%0.589SS.*Hα-helixtrans-65.6-41.4177.6-74175.3-176.9-179.90111.7M121 A122 I127 R128 G129M121-K125 WeakPolarHBondContact O-CG 3.26Å; M121-K125 PolarHBondContact O-N 3.1Å; A122-K125 PolarHBondContact O-N 3.49Å; A122-K125 VanDerWaalsContact O-N 3.16Å; K125-I127 VanDerWaalsContact C-N 3.34Å; K125-I127 PolarHBondContact O-N 2.88Å; K125-R128 PolarHBondContact O-N 3.38Å; K125-G129 PolarHBondContact O-N 2.74Å; K125-G129 VanDerWaalsContact O-N 3.13Å
126D86.3Confident76.7Confident136 Ų136108.5 Ų108.573%0.72759%0.589SS**Hα-helixtrans-62.5-39.9177.4-69.2-13.4000112.2A122 K123A122-D126 PolarHBondContact O-N 3Å; K123-D126 PolarHBondContact O-N 3.45Å
127I86.5Confident75.7Confident152 Ų152109.3 Ų109.378%0.77959%0.59SS**Hα-helixtrans-71.3-36.7177.8-65.7163.8000111.7K123 Y124 K125 G129K123-I127 WeakPolarHBondContact O-CD1 3.49Å; K123-I127 VanDerWaalsContact O-CG1 3.27Å; K123-I127 WeakPolarHBondContact O-CG1 3.45Å; K123-I127 PolarHBondContact O-N 3.43Å; K123-I127 VanDerWaalsContact O-N 3.08Å; Y124-I127 PolarHBondContact O-N 3.49Å; K125-I127 VanDerWaalsContact C-N 3.34Å; K125-I127 PolarHBondContact O-N 2.88Å; I127-G129 VanDerWaalsContact C-N 3.34Å
128R78.3Confident74.6Confident113 Ų113109.6 Ų109.643%0.42660%0.598SS.*Hα-helixtrans-76.3-24-175.6-155.3-169-174.3149.315.7112.9Y124 K125Y124-R128 WeakPolarHBondContact O-CB 3.42Å; Y124-R128 PolarHBondContact O-N 3.27Å; Y124-R128 VanDerWaalsContact OH-CZ 3.29Å; Y124-R128 PolarHBondContact OH-NH1 3.22Å; K125-R128 PolarHBondContact O-N 3.38Å
129G60.5Low73.6Confident37 Ų37111.3 Ų111.338%0.38160%0.602SS.*  trans71.5149.8-168.300000111.5K125 I127 D131K125-G129 PolarHBondContact O-N 2.74Å; K125-G129 VanDerWaalsContact O-N 3.13Å; I127-G129 VanDerWaalsContact C-N 3.34Å; G129-D131 PolarHBondContact O-N 3.05Å
130E54.4Low72.5Confident207 Ų207109.6 Ų109.697%0.96760%0.599SS**SBendtrans-6521.8176.3-83.2-166.6139.300114.8G132E130-G132 VanDerWaalsContact C-N 3.3Å; E130-G132 PolarHBondContact O-N 2.9Å; E130-G132 VanDerWaalsContact O-N 3.13Å
131D51.9Low71.2Confident151 Ų151110 Ų11081%0.80761%0.607SS**  trans-89.972170.2-75.6-43.4000110.1G129G129-D131 PolarHBondContact O-N 3.05Å
132G48.3Very low69.7Low52 Ų52117.2 Ų117.254%0.53665%0.648SS.*  trans-68.9134.315700000109.1E130 S134E130-G132 VanDerWaalsContact C-N 3.3Å; E130-G132 PolarHBondContact O-N 2.9Å; E130-G132 VanDerWaalsContact O-N 3.13Å; G132-S134 PolarHBondContact O-N 2.91Å
133P50.1Low68.3Low91 Ų91122.8 Ų122.859%0.59167%0.668SS**  trans-65.7124.1175.529.2-32.2000108.6
134S41.9Very low66.4Low193 Ų193122.2 Ų122.2100%1.3568%0.677SS**  trans-53.30162.8-53.60000111.8G132G132-S134 PolarHBondContact O-N 2.91Å

Retrieved 134 of 134 residues in 23.7 ms (Link to these results)