NUF2_MOUSE Loading...

Isoform 2 of Kinetochore protein Nuf2 AlphaSync

Canonical isoform description: Acts as a component of the essential kinetochore-associated NDC80 complex, which is required for chromosome segregation and spindle checkpoint activity. Required for kinetochore integrity and the organization of stable microtubule binding sites in the outer plate of the kinetochore. The NDC80 complex synergistically enhances the affinity of the SKA1 complex for microtubules and may allow the NDC80 complex to track depolymerizing microtubules.

AlphaFold DB , UniProt , Accession Q99P69-2 (canonical: Q99P69), Species MOUSE (Mus musculus, Mouse), Gene Nuf2, Length 330 aa.

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

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M35.8Very low78.1Confident234 Ų23493.9 Ų93.9100%1.15349%0.487SS*.  0116.20-66.2-179.2-158.200106.2T3M1-T3 PolarHBondContact O-N 3.42Å
2E47.8Very low79.5Confident174 Ų17488.8 Ų88.881%0.81347%0.469SS*.  trans-60.7111.4169-73.3-179.9170.700107L4E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.04Å
3T55.6Low80.9Confident136 Ų13688.2 Ų88.283%0.83446%0.462SS*.  trans-66.695.4169.739.40000106.6M1 S5M1-T3 PolarHBondContact O-N 3.42Å; T3-S5 PolarHBondContact O-N 3.01Å; T3-S5 VanDerWaalsContact O-N 3.13Å
4L68.1Low82Confident97 Ų9781.9 Ų81.951%0.50843%0.429SS..  trans-59.3120175.5-65.8172.4000107.9E2 F6 R8E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.04Å; L4-F6 PolarHBondContact O-N 3.17Å; L4-R8 HydrophobicContact CD1-CG 4.19Å; L4-R8 HydrophobicContact CD2-CG 4.05Å
5S83.5Confident82.9Confident72 Ų7276.9 Ų76.950%0.50340%0.403SS..SBendtrans-64.7-20.9179.846.80000113.4T3T3-S5 PolarHBondContact O-N 3.01Å; T3-S5 VanDerWaalsContact O-N 3.13Å
6F93Very high83.7Confident9 Ų976.6 Ų76.64%0.03941%0.406CS..SBendtrans-158.6160.8177.946.3-101.4000110L4 C99 R100 V101 R119 N126L4-F6 PolarHBondContact O-N 3.17Å; F6-C99 WeakPolarHBondContact CE1-O 3.47Å; F6-R100 HydrophobicContact CD1-CB 4.04Å; F6-R100 HydrophobicContact CE1-CB 4.1Å; F6-V101 HydrophobicContact CE1-CG2 3.87Å; F6-V101 HydrophobicContact CZ-CG2 3.72Å; F6-R119 HydrophobicContact CE2-CG 4.13Å; F6-R119 WeakPolarHBondContact CE2-O 3.44Å; F6-R119 HydrophobicContact CZ-CG 4.02Å; F6-N126 HydrophobicContact CB-CB 3.84Å
7P93.9Very high84.4Confident59 Ų5974.6 Ų74.638%0.38339%0.393SS..  trans-55.6145.8177.2-24.534.8000112.6Y9 S122 N126P7-Y9 HydrophobicContact CB-CE1 4.24Å; P7-Y9 HydrophobicContact CB-CE2 4.31Å; P7-S122 VanDerWaalsContact O-CB 3.27Å; P7-S122 WeakPolarHBondContact O-CB 3.29Å; P7-N126 VanDerWaalsContact CD-OD1 3.27Å; P7-N126 WeakPolarHBondContact CD-OD1 3.49Å
8R94.6Very high85.1Confident113 Ų11370.4 Ų70.443%0.42637%0.371SS..  trans-105.9107.3176-65.2-53.8-174.797.15110.3L4 R119L4-R8 HydrophobicContact CD1-CG 4.19Å; L4-R8 HydrophobicContact CD2-CG 4.05Å; R8-R119 VanDerWaalsContact CZ-CD 3.49Å; R8-R119 VanDerWaalsContact NH1-CB 3.29Å; R8-R119 VanDerWaalsContact NH1-CD 3.32Å
9Y95.7Very high85.6Confident39 Ų3972.1 Ų72.115%0.15337%0.372CS..  trans-86.2139.6178.1-57.4-66000110.8P7 E13 L14 H17 S118 S122 I125P7-Y9 HydrophobicContact CB-CE1 4.24Å; P7-Y9 HydrophobicContact CB-CE2 4.31Å; Y9-E13 VanDerWaalsContact CA-OE2 3.27Å; Y9-E13 WeakPolarHBondContact CA-OE2 3.45Å; Y9-E13 HydrophobicContact CD1-CB 4.1Å; Y9-E13 HydrophobicContact CG-CB 4.37Å; Y9-L14 HydrophobicContact CD2-CD2 4.17Å; Y9-L14 HydrophobicContact CG-CD2 4.34Å; Y9-H17 AromaticContact CD1-NE2 3.87Å; Y9-H17 AromaticContact CE1-NE2 3.5Å; Y9-H17 AromaticContact CZ-NE2 3.91Å; Y9-S118 PolarHBondContact O-OG 3.4Å; Y9-S122 PolarHBondContact N-OG 2.94Å; Y9-I125 HydrophobicContact CD2-CD1 4.43Å; Y9-I125 HydrophobicContact CD2-CG2 4.34Å; Y9-I125 HydrophobicContact CE2-CB 4.14Å; Y9-I125 HydrophobicContact CE2-CG2 3.7Å
10N95.1Very high85.9Confident81 Ų8174.4 Ų74.443%0.43339%0.385SS..  trans-76.9166.6167.869.459000110.7A12 E13 L14N10-A12 PolarHBondContact O-N 3.4Å; N10-A12 VanDerWaalsContact O-N 3.12Å; N10-A12 WeakPolarHBondContact OD1-CA 3.46Å; N10-A12 WeakPolarHBondContact OD1-CB 3.47Å; N10-A12 PolarHBondContact OD1-N 3.16Å; N10-E13 VanDerWaalsContact CG-OE2 3.3Å; N10-E13 PolarHBondContact N-OE2 3.02Å; N10-E13 PolarHBondContact ND2-OE2 3.49Å; N10-E13 PolarHBondContact O-N 3.16Å; N10-E13 VanDerWaalsContact O-N 3.08Å; N10-E13 PolarHBondContact OD1-N 3.36Å; N10-E13 VanDerWaalsContact OD1-N 3.07Å; N10-L14 WeakPolarHBondContact O-CG 3.43Å; N10-L14 PolarHBondContact O-N 3.21Å
11V95.7Very high86.2Confident19 Ų1974.1 Ų74.112%0.11538%0.381CS..Hα-helixtrans-55.6-34.3-177.4174.20000113V15 K33 F36 L37 T114V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.43Å; V11-V15 PolarHBondContact O-N 3.23Å; V11-V15 VanDerWaalsContact O-N 3.12Å; V11-K33 HydrophobicContact CG1-CB 4.21Å; V11-K33 HydrophobicContact CG1-CG 4.29Å; V11-F36 HydrophobicContact CG1-CB 3.63Å; V11-F36 HydrophobicContact CG1-CD2 4Å; V11-F36 HydrophobicContact CG1-CG 4.02Å; V11-F36 HydrophobicContact CG2-CB 4.29Å; V11-L37 HydrophobicContact CG1-CD1 4.42Å; V11-L37 HydrophobicContact CG1-CG 4.4Å; V11-L37 HydrophobicContact CG2-CD2 4.23Å; V11-L37 HydrophobicContact CG2-CG 4.39Å; V11-T114 HydrophobicContact CG2-CG2 4.38Å
12A95.6Very high88.9Confident32 Ų3263.6 Ų63.626%0.26433%0.329SS..Hα-helixtrans-67.7-44.4178.900000111.7N10 V15 V16 K33N10-A12 PolarHBondContact O-N 3.4Å; N10-A12 VanDerWaalsContact O-N 3.12Å; N10-A12 WeakPolarHBondContact OD1-CA 3.46Å; N10-A12 WeakPolarHBondContact OD1-CB 3.47Å; N10-A12 PolarHBondContact OD1-N 3.16Å; A12-V15 PolarHBondContact O-N 3.02Å; A12-V16 WeakPolarHBondContact O-CG2 3.36Å; A12-V16 PolarHBondContact O-N 3.14Å; A12-K33 HydrophobicContact CB-CD 4.49Å; A12-K33 VanDerWaalsContact CB-CE 3.41Å
13E96.8Very high91Very high81 Ų8155.4 Ų55.438%0.37929%0.291SS..Hα-helixtrans-66-41176.8-67.5166.8151.800111.3Y9 N10 V15 V16 H17Y9-E13 VanDerWaalsContact CA-OE2 3.27Å; Y9-E13 WeakPolarHBondContact CA-OE2 3.45Å; Y9-E13 HydrophobicContact CD1-CB 4.1Å; Y9-E13 HydrophobicContact CG-CB 4.37Å; N10-E13 VanDerWaalsContact CG-OE2 3.3Å; N10-E13 PolarHBondContact N-OE2 3.02Å; N10-E13 PolarHBondContact ND2-OE2 3.49Å; N10-E13 PolarHBondContact O-N 3.16Å; N10-E13 VanDerWaalsContact O-N 3.08Å; N10-E13 PolarHBondContact OD1-N 3.36Å; N10-E13 VanDerWaalsContact OD1-N 3.07Å; E13-V15 PolarHBondContact O-N 3.26Å; E13-V16 PolarHBondContact O-N 3.45Å; E13-V16 VanDerWaalsContact O-N 3.14Å; E13-H17 PolarHBondContact O-CD2 2.57Å; E13-H17 PolarHBondContact O-N 3.43Å
14L96.8Very high92.2Very high1 Ų154.4 Ų54.41%0.00529%0.285CS..Hα-helixtrans-57.8-46.9175.9-70.7178.1000111.8Y9 N10 V16 H17 I18 S118 L121 I125Y9-L14 HydrophobicContact CD2-CD2 4.17Å; Y9-L14 HydrophobicContact CG-CD2 4.34Å; N10-L14 WeakPolarHBondContact O-CG 3.43Å; N10-L14 PolarHBondContact O-N 3.21Å; L14-V16 VanDerWaalsContact C-N 3.26Å; L14-V16 PolarHBondContact O-N 2.96Å; L14-H17 PolarHBondContact O-N 3.13Å; L14-I18 HydrophobicContact CB-CD1 4.27Å; L14-I18 VanDerWaalsContact O-CB 3.3Å; L14-I18 WeakPolarHBondContact O-CB 3.5Å; L14-I18 WeakPolarHBondContact O-CD1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 2.89Å; L14-S118 VanDerWaalsContact CD1-OG 3.31Å; L14-S118 WeakPolarHBondContact CD1-OG 3.45Å; L14-L121 HydrophobicContact CD1-CB 4.21Å; L14-L121 HydrophobicContact CD1-CD1 4.31Å; L14-L121 HydrophobicContact CD2-CB 3.77Å; L14-I125 HydrophobicContact CD2-CD1 3.37Å
15V96.1Very high93Very high7 Ų752.4 Ų52.44%0.04229%0.288CS..Hα-helixtrans-56.4-43.3176.7169.90000110.8V11 A12 E13 R19 L31 F36V11-V15 VanDerWaalsContact O-CG2 3.29Å; V11-V15 WeakPolarHBondContact O-CG2 3.43Å; V11-V15 PolarHBondContact O-N 3.23Å; V11-V15 VanDerWaalsContact O-N 3.12Å; A12-V15 PolarHBondContact O-N 3.02Å; E13-V15 PolarHBondContact O-N 3.26Å; V15-R19 WeakPolarHBondContact O-CB 3.22Å; V15-R19 WeakPolarHBondContact O-CG 3.45Å; V15-R19 PolarHBondContact O-N 3.38Å; V15-R19 VanDerWaalsContact O-N 3.09Å; V15-L31 HydrophobicContact CG1-CD2 4.41Å; V15-F36 HydrophobicContact CG2-CD2 3.88Å; V15-F36 HydrophobicContact CG2-CE2 3.62Å
16V95.2Very high93Very high72 Ų7252.1 Ų52.144%0.43629%0.29SS..Hα-helixtrans-65-50.9179.11750000111.3A12 E13 L14 I18 R19 N20A12-V16 WeakPolarHBondContact O-CG2 3.36Å; A12-V16 PolarHBondContact O-N 3.14Å; E13-V16 PolarHBondContact O-N 3.45Å; E13-V16 VanDerWaalsContact O-N 3.14Å; L14-V16 VanDerWaalsContact C-N 3.26Å; L14-V16 PolarHBondContact O-N 2.96Å; V16-I18 PolarHBondContact O-N 3.19Å; V16-R19 PolarHBondContact O-N 3.39Å; V16-N20 VanDerWaalsContact O-CG 3.28Å; V16-N20 PolarHBondContact O-N 3.08Å; V16-N20 VanDerWaalsContact O-N 3.12Å; V16-N20 PolarHBondContact O-ND2 3.19Å
17H95.7Very high92.6Very high42 Ų4255.1 Ų55.119%0.19431%0.306CS..Hα-helixtrans-62.4-42.5-179.7-75.5-64.2000112.2Y9 E13 L14 N20 K21 I125 H129Y9-H17 AromaticContact CD1-NE2 3.87Å; Y9-H17 AromaticContact CE1-NE2 3.5Å; Y9-H17 AromaticContact CZ-NE2 3.91Å; E13-H17 PolarHBondContact O-CD2 2.57Å; E13-H17 PolarHBondContact O-N 3.43Å; L14-H17 PolarHBondContact O-N 3.13Å; H17-N20 PolarHBondContact O-N 3.45Å; H17-K21 VanDerWaalsContact O-CB 3.25Å; H17-K21 WeakPolarHBondContact O-CB 3.37Å; H17-K21 WeakPolarHBondContact O-CG 3.38Å; H17-K21 PolarHBondContact O-N 3.05Å; H17-I125 HydrophobicContact CB-CD1 3.66Å; H17-I125 HydrophobicContact CB-CG1 4.08Å; H17-I125 HydrophobicContact CB-CG2 3.85Å; H17-H129 AromaticContact CE1-CE1 3.78Å; H17-H129 AromaticContact CE1-NE2 3.99Å; H17-H129 AromaticContact ND1-CE1 3.49Å; H17-H129 PolarHBondContact ND1-CE1 3.01Å; H17-H129 AromaticContact ND1-NE2 3.79Å
18I96.6Very high92.2Very high0 Ų052.6 Ų52.60%029%0.29CS..Hα-helixtrans-65.2-42.2-179.6-67.3164.3000111L14 V16 N20 K21 L22 L23 L31 F36 I48 L121 I125L14-I18 HydrophobicContact CB-CD1 4.27Å; L14-I18 VanDerWaalsContact O-CB 3.3Å; L14-I18 WeakPolarHBondContact O-CB 3.5Å; L14-I18 WeakPolarHBondContact O-CD1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 2.89Å; V16-I18 PolarHBondContact O-N 3.19Å; I18-N20 VanDerWaalsContact C-N 3.28Å; I18-N20 PolarHBondContact O-N 3.23Å; I18-K21 PolarHBondContact O-N 3.38Å; I18-L22 HydrophobicContact CG1-CD1 4.46Å; I18-L22 HydrophobicContact CG2-CB 4.22Å; I18-L22 PolarHBondContact O-N 3.47Å; I18-L23 HydrophobicContact CG2-CB 4.5Å; I18-L23 HydrophobicContact CG2-CD1 3.8Å; I18-L23 HydrophobicContact CG2-CG 3.74Å; I18-L23 PolarHBondContact O-N 3.02Å; I18-L31 HydrophobicContact CB-CD2 3.8Å; I18-L31 HydrophobicContact CD1-CD2 4.48Å; I18-L31 HydrophobicContact CG2-CD2 3.48Å; I18-L31 VanDerWaalsContact CG2-CD2 3.48Å; I18-F36 HydrophobicContact CD1-CE1 4.4Å; I18-F36 HydrophobicContact CD1-CZ 3.82Å; I18-I48 HydrophobicContact CD1-CD1 4.09Å; I18-I48 HydrophobicContact CD1-CG2 4.43Å; I18-I48 HydrophobicContact CG2-CD1 4.22Å; I18-I48 HydrophobicContact CG2-CG1 3.95Å; I18-I48 HydrophobicContact CG2-CG2 4.41Å; I18-L121 HydrophobicContact CD1-CD1 4.05Å; I18-L121 HydrophobicContact CD1-CD2 4.44Å; I18-I125 HydrophobicContact CG1-CD1 4.23Å
19R94.4Very high91.9Very high101 Ų10155.3 Ų55.338%0.38131%0.305SS..Hα-helixtrans-60.5-37174.4-77.2175.7175.2171.8-7.1113.2V15 V16 G28 L31V15-R19 WeakPolarHBondContact O-CB 3.22Å; V15-R19 WeakPolarHBondContact O-CG 3.45Å; V15-R19 PolarHBondContact O-N 3.38Å; V15-R19 VanDerWaalsContact O-N 3.09Å; V16-R19 PolarHBondContact O-N 3.39Å; R19-G28 WeakPolarHBondContact CD-O 3.37Å; R19-G28 WeakPolarHBondContact CG-O 3.45Å; R19-G28 PolarHBondContact NE-O 3.39Å; R19-L31 HydrophobicContact CG-CB 4.48Å; R19-L31 HydrophobicContact CG-CD2 4.39Å; R19-L31 PolarHBondContact NE-O 3.28Å; R19-L31 VanDerWaalsContact NE-O 3.12Å; R19-L31 PolarHBondContact NH2-O 3.04Å
20N92.1Very high91.7Very high119 Ų11959.2 Ų59.264%0.63633%0.329SS*.Hα-helixtrans-83.6-27.9-176.3-68-13.9000112.7V16 H17 I18V16-N20 VanDerWaalsContact O-CG 3.28Å; V16-N20 PolarHBondContact O-N 3.08Å; V16-N20 VanDerWaalsContact O-N 3.12Å; V16-N20 PolarHBondContact O-ND2 3.19Å; H17-N20 PolarHBondContact O-N 3.45Å; I18-N20 VanDerWaalsContact C-N 3.28Å; I18-N20 PolarHBondContact O-N 3.23Å
21K91.6Very high91.6Very high69 Ų6955.6 Ų55.630%0.331%0.31SS..Hα-helixtrans-116.2-27.6-167.1-59.4-63.3-175.5173.40115.2H17 I18 I128 E132H17-K21 VanDerWaalsContact O-CB 3.25Å; H17-K21 WeakPolarHBondContact O-CB 3.37Å; H17-K21 WeakPolarHBondContact O-CG 3.38Å; H17-K21 PolarHBondContact O-N 3.05Å; I18-K21 PolarHBondContact O-N 3.38Å; K21-I128 HydrophobicContact CB-CG2 4.34Å; K21-E132 WeakPolarHBondContact CD-OE1 3.27Å; K21-E132 WeakPolarHBondContact CE-OE2 3.27Å; K21-E132 IonicContact NZ-OE1 2.73Å; K21-E132 PolarHBondContact NZ-OE1 3.32Å; K21-E132 IonicContact NZ-OE2 3.68Å; K21-E132 PolarHBondContact NZ-OE2 3.06Å
22L93.7Very high91.6Very high12 Ų1256.2 Ų56.26%0.06332%0.315CS..THydrogen-bonded Turntrans-122.1-44.7-170.8-69.9178.9000113.4I18 I48 K51 A52 L55 I128I18-L22 HydrophobicContact CG1-CD1 4.46Å; I18-L22 HydrophobicContact CG2-CB 4.22Å; I18-L22 PolarHBondContact O-N 3.47Å; L22-I48 HydrophobicContact CD1-CG2 3.81Å; L22-K51 HydrophobicContact CB-CB 4.46Å; L22-A52 HydrophobicContact CD1-CB 4.3Å; L22-A52 HydrophobicContact CD2-CB 3.92Å; L22-L55 HydrophobicContact CD2-CD2 3.95Å; L22-I128 HydrophobicContact CD1-CD1 4.19Å; L22-I128 HydrophobicContact CD2-CD1 3.56Å; L22-I128 HydrophobicContact CG-CD1 4Å
23L90.9Very high91.6Very high3 Ų360.7 Ų60.72%0.01633%0.328CS..  trans-106.2108.9-175.7-59.2-174.6000110.6I18 D27 L31 M47 I48 K51I18-L23 HydrophobicContact CG2-CB 4.5Å; I18-L23 HydrophobicContact CG2-CD1 3.8Å; I18-L23 HydrophobicContact CG2-CG 3.74Å; I18-L23 PolarHBondContact O-N 3.02Å; L23-D27 HydrophobicContact CB-CB 4.27Å; L23-D27 HydrophobicContact CD2-CB 4.45Å; L23-L31 HydrophobicContact CD1-CB 4.28Å; L23-L31 HydrophobicContact CD1-CD1 4.29Å; L23-L31 HydrophobicContact CD1-CD2 4.08Å; L23-L31 HydrophobicContact CD1-CG 4.45Å; L23-M47 HydrophobicContact CD1-CE 3.65Å; L23-M47 HydrophobicContact CD2-CE 3.96Å; L23-M47 HydrophobicContact CD2-CG 4.04Å; L23-M47 HydrophobicContact CD2-SD 4.18Å; L23-M47 HydrophobicContact CG-CE 4.47Å; L23-I48 HydrophobicContact CD1-CG1 4.17Å; L23-K51 HydrophobicContact CD2-CB 4.32Å; L23-K51 HydrophobicContact CD2-CG 3.82Å
24T81.1Confident91.5Very high115 Ų11560.4 Ų60.471%0.70634%0.335SS*.  trans-93.2153.317655.70000111.7
25G84.7Confident91.4Very high55 Ų5561.1 Ų61.157%0.56734%0.339SS*.THydrogen-bonded Turntrans70.5-133.6170.300000114.1K29G25-K29 WeakPolarHBondContact O-CG 3.38Å; G25-K29 PolarHBondContact O-N 3.3Å
26A84.7Confident91.4Very high66 Ų6661 Ų6155%0.54534%0.338SS..Hα-helixtrans-65.6-40.3-175.100000112.6G28 K29 N30A26-G28 VanDerWaalsContact C-N 3.29Å; A26-G28 PolarHBondContact O-N 3.4Å; A26-K29 PolarHBondContact O-N 2.92Å; A26-N30 PolarHBondContact O-N 3.09Å; A26-N30 VanDerWaalsContact O-N 3.11Å; A26-N30 PolarHBondContact O-ND2 3.38Å
27D84.4Confident91.3Very high72 Ų7261.7 Ų61.739%0.38534%0.339SS..Hα-helixtrans-60.2-39.7-178.8-60.1-22.4000111.6L23 L31 M47L23-D27 HydrophobicContact CB-CB 4.27Å; L23-D27 HydrophobicContact CD2-CB 4.45Å; D27-L31 PolarHBondContact O-N 2.98Å; D27-M47 HydrophobicContact CB-CE 4.29Å; D27-M47 HydrophobicContact CB-SD 4.01Å
28G85.3Confident91.2Very high5 Ų565 Ų655%0.05236%0.364CS..Hα-helixtrans-68.5-45.6175.600000112.5R19 A26 N30 L31R19-G28 WeakPolarHBondContact CD-O 3.37Å; R19-G28 WeakPolarHBondContact CG-O 3.45Å; R19-G28 PolarHBondContact NE-O 3.39Å; A26-G28 VanDerWaalsContact C-N 3.29Å; A26-G28 PolarHBondContact O-N 3.4Å; G28-N30 VanDerWaalsContact C-N 3.25Å; G28-N30 PolarHBondContact O-N 2.95Å; G28-L31 PolarHBondContact O-N 3.44Å
29K88.2Confident91Very high170 Ų17069.5 Ų69.574%0.73939%0.388SS*.Hα-helixtrans-59.6-37.2-178.8-72.8-178.9-178.7-177.70112.5G25 A26G25-K29 WeakPolarHBondContact O-CG 3.38Å; G25-K29 PolarHBondContact O-N 3.3Å; A26-K29 PolarHBondContact O-N 2.92Å
30N90.1Very high91.1Very high122 Ų12265.1 Ų65.165%0.65237%0.373SS*.Hα-helixtrans-82.9-19.9-176.8-65.7-20.4000113.7A26 G28 S32A26-N30 PolarHBondContact O-N 3.09Å; A26-N30 VanDerWaalsContact O-N 3.11Å; A26-N30 PolarHBondContact O-ND2 3.38Å; G28-N30 VanDerWaalsContact C-N 3.25Å; G28-N30 PolarHBondContact O-N 2.95Å; N30-S32 PolarHBondContact O-N 2.93Å
31L94.1Very high91.2Very high4 Ų464.5 Ų64.52%0.02136%0.364CS..  trans-62.5127.2178.6-174.874.2000110.8V15 I18 R19 L23 D27 G28 D35 F36 V44 I48V15-L31 HydrophobicContact CG1-CD2 4.41Å; I18-L31 HydrophobicContact CB-CD2 3.8Å; I18-L31 HydrophobicContact CD1-CD2 4.48Å; I18-L31 HydrophobicContact CG2-CD2 3.48Å; I18-L31 VanDerWaalsContact CG2-CD2 3.48Å; R19-L31 HydrophobicContact CG-CB 4.48Å; R19-L31 HydrophobicContact CG-CD2 4.39Å; R19-L31 PolarHBondContact NE-O 3.28Å; R19-L31 VanDerWaalsContact NE-O 3.12Å; R19-L31 PolarHBondContact NH2-O 3.04Å; L23-L31 HydrophobicContact CD1-CB 4.28Å; L23-L31 HydrophobicContact CD1-CD1 4.29Å; L23-L31 HydrophobicContact CD1-CD2 4.08Å; L23-L31 HydrophobicContact CD1-CG 4.45Å; D27-L31 PolarHBondContact O-N 2.98Å; G28-L31 PolarHBondContact O-N 3.44Å; L31-D35 HydrophobicContact CD1-CB 4.34Å; L31-F36 HydrophobicContact CD1-CE2 3.82Å; L31-F36 HydrophobicContact CD1-CZ 4.02Å; L31-F36 HydrophobicContact CD2-CE2 4.23Å; L31-F36 HydrophobicContact CD2-CZ 4.36Å; L31-F36 HydrophobicContact CG-CE2 4.09Å; L31-V44 HydrophobicContact CD1-CG1 3.43Å; L31-V44 VanDerWaalsContact CD1-CG1 3.43Å; L31-I48 HydrophobicContact CD1-CD1 4.3Å
32S94.7Very high91.3Very high32 Ų3263.7 Ų63.722%0.22437%0.367CS..  trans-139.1169.9-173.269.20000112.1N30 S34 D35 F36N30-S32 PolarHBondContact O-N 2.93Å; S32-S34 PolarHBondContact O-N 3.14Å; S32-S34 PolarHBondContact OG-OG 2.87Å; S32-D35 PolarHBondContact N-OD2 3.38Å; S32-D35 WeakPolarHBondContact O-CB 3.41Å; S32-D35 PolarHBondContact O-N 3.37Å; S32-D35 VanDerWaalsContact O-N 3.1Å; S32-D35 PolarHBondContact OG-OD2 3.4Å; S32-F36 WeakPolarHBondContact O-CD2 3.26Å
33K95.4Very high91.2Very high126 Ų12669.8 Ų69.855%0.54840%0.4SS..G310 helixtrans-61.8-30.6176.1-62.3-175.8-175.5-177.70112.5V11 A12 D35 F36 L37V11-K33 HydrophobicContact CG1-CB 4.21Å; V11-K33 HydrophobicContact CG1-CG 4.29Å; A12-K33 HydrophobicContact CB-CD 4.49Å; A12-K33 VanDerWaalsContact CB-CE 3.41Å; K33-D35 PolarHBondContact O-N 2.88Å; K33-F36 PolarHBondContact O-N 3.06Å; K33-F36 VanDerWaalsContact O-N 3.13Å; K33-L37 PolarHBondContact O-N 3.34Å
34S95.3Very high91.3Very high75 Ų7570.8 Ų70.852%0.52441%0.406SS..G310 helixtrans-68.2-12.9176.738.60000113.9S32 F36S32-S34 PolarHBondContact O-N 3.14Å; S32-S34 PolarHBondContact OG-OG 2.87Å; S34-F36 VanDerWaalsContact C-N 3.27Å
35D95.1Very high91.9Very high16 Ų1665.4 Ų65.49%0.08637%0.373CS..G310 helixtrans-81.4-11.4173.5-58.1-53.6000112.6L31 S32 K33 P40 K41 V44L31-D35 HydrophobicContact CD1-CB 4.34Å; S32-D35 PolarHBondContact N-OD2 3.38Å; S32-D35 WeakPolarHBondContact O-CB 3.41Å; S32-D35 PolarHBondContact O-N 3.37Å; S32-D35 VanDerWaalsContact O-N 3.1Å; S32-D35 PolarHBondContact OG-OD2 3.4Å; K33-D35 PolarHBondContact O-N 2.88Å; D35-P40 CarbonylContact O-C 3.59Å; D35-P40 VanDerWaalsContact O-CA 3.29Å; D35-P40 WeakPolarHBondContact O-CA 3.37Å; D35-K41 HydrophobicContact CB-CD 4.46Å; D35-K41 PolarHBondContact O-N 3.34Å; D35-K41 WeakPolarHBondContact OD1-CD 3.44Å; D35-K41 WeakPolarHBondContact OD1-CE 3.42Å; D35-K41 IonicContact OD1-NZ 2.66Å; D35-K41 PolarHBondContact OD1-NZ 3.08Å; D35-V44 HydrophobicContact CB-CB 4.48Å; D35-V44 HydrophobicContact CB-CG1 4.1Å; D35-V44 HydrophobicContact CB-CG2 4.2Å
36F95.5Very high92.3Very high5 Ų564.6 Ų64.62%0.02235%0.353CS..THydrogen-bonded Turntrans-111.9-21179.4-64-80.3000113.5V11 V15 I18 L31 S32 K33 S34 N39 P40 I48 T114 L121V11-F36 HydrophobicContact CG1-CB 3.63Å; V11-F36 HydrophobicContact CG1-CD2 4Å; V11-F36 HydrophobicContact CG1-CG 4.02Å; V11-F36 HydrophobicContact CG2-CB 4.29Å; V15-F36 HydrophobicContact CG2-CD2 3.88Å; V15-F36 HydrophobicContact CG2-CE2 3.62Å; I18-F36 HydrophobicContact CD1-CE1 4.4Å; I18-F36 HydrophobicContact CD1-CZ 3.82Å; L31-F36 HydrophobicContact CD1-CE2 3.82Å; L31-F36 HydrophobicContact CD1-CZ 4.02Å; L31-F36 HydrophobicContact CD2-CE2 4.23Å; L31-F36 HydrophobicContact CD2-CZ 4.36Å; L31-F36 HydrophobicContact CG-CE2 4.09Å; S32-F36 WeakPolarHBondContact O-CD2 3.26Å; K33-F36 PolarHBondContact O-N 3.06Å; K33-F36 VanDerWaalsContact O-N 3.13Å; S34-F36 VanDerWaalsContact C-N 3.27Å; F36-N39 CarbonylContact O-C 3.23Å; F36-N39 VanDerWaalsContact O-C 3.23Å; F36-P40 HydrophobicContact CD1-CB 4.45Å; F36-I48 HydrophobicContact CE1-CD1 4.16Å; F36-I48 HydrophobicContact CZ-CD1 3.85Å; F36-T114 PolarHBondContact O-OG1 2.94Å; F36-T114 VanDerWaalsContact O-OG1 3.09Å; F36-L121 HydrophobicContact CD1-CD1 4.29Å; F36-L121 HydrophobicContact CE1-CD1 3.56Å; F36-L121 HydrophobicContact CZ-CD1 4.38Å
37L94.1Very high92.7Very high86 Ų8663.8 Ų63.845%0.4534%0.339SS..SBendtrans-121.9140.8-171.8-64.7176000111.8V11 K33 T114V11-L37 HydrophobicContact CG1-CD1 4.42Å; V11-L37 HydrophobicContact CG1-CG 4.4Å; V11-L37 HydrophobicContact CG2-CD2 4.23Å; V11-L37 HydrophobicContact CG2-CG 4.39Å; K33-L37 PolarHBondContact O-N 3.34Å; L37-T114 HydrophobicContact CD2-CG2 3.54Å
38P92.8Very high93.3Very high112 Ų11260.4 Ų60.473%0.72732%0.321SS*.SBendcis-75.3-22.4-0.631.4-35.6000113.3T114P38-T114 PolarHBondContact O-OG1 2.9Å
39N93.6Very high93.9Very high95 Ų9560.2 Ų60.251%0.50832%0.318SS..SBendtrans-126.8147.9170.1-67.6-43.6000109.1F36F36-N39 CarbonylContact O-C 3.23Å; F36-N39 VanDerWaalsContact O-C 3.23Å
40P95.7Very high94.2Very high9 Ų952.9 Ų52.96%0.05829%0.287CS..  trans-65.8140.7177.5-21.234.8000112.6D35 F36 S42 P112 T117D35-P40 CarbonylContact O-C 3.59Å; D35-P40 VanDerWaalsContact O-CA 3.29Å; D35-P40 WeakPolarHBondContact O-CA 3.37Å; F36-P40 HydrophobicContact CD1-CB 4.45Å; P40-S42 PolarHBondContact O-N 3.28Å; P40-P112 HydrophobicContact CB-CB 4.13Å; P40-P112 HydrophobicContact CB-CG 4.22Å; P40-P112 HydrophobicContact CG-CB 4.22Å; P40-P112 VanDerWaalsContact O-CG 3.29Å; P40-P112 WeakPolarHBondContact O-CG 3.39Å; P40-T117 HydrophobicContact CB-CG2 4.29Å; P40-T117 HydrophobicContact CG-CG2 3.87Å
41K94.9Very high94.5Very high105 Ų10550.3 Ų50.346%0.45727%0.27SS..  trans-71123.9172.2-64177.5-174.7166.80109.4D35 D43 V44 L45D35-K41 HydrophobicContact CB-CD 4.46Å; D35-K41 PolarHBondContact O-N 3.34Å; D35-K41 WeakPolarHBondContact OD1-CD 3.44Å; D35-K41 WeakPolarHBondContact OD1-CE 3.42Å; D35-K41 IonicContact OD1-NZ 2.66Å; D35-K41 PolarHBondContact OD1-NZ 3.08Å; K41-D43 VanDerWaalsContact C-N 3.3Å; K41-D43 PolarHBondContact O-N 2.86Å; K41-V44 HydrophobicContact CB-CB 4.2Å; K41-V44 HydrophobicContact CB-CG2 3.93Å; K41-V44 HydrophobicContact CD-CG2 4.23Å; K41-V44 PolarHBondContact O-N 3.22Å; K41-V44 VanDerWaalsContact O-N 3.14Å; K41-L45 PolarHBondContact O-N 3.01Å
42S92.2Very high94.6Very high52 Ų5250.1 Ų50.136%0.36427%0.269SS..Hα-helixtrans-56.5-42.1-176.5-58.30000112.5P40 V44 L45 Y46P40-S42 PolarHBondContact O-N 3.28Å; S42-V44 PolarHBondContact O-N 3Å; S42-L45 PolarHBondContact O-N 3.26Å; S42-Y46 WeakPolarHBondContact O-CB 3.43Å; S42-Y46 PolarHBondContact O-N 3.19Å
43D91.4Very high94.7Very high140 Ų14048.6 Ų48.675%0.74926%0.258SS*.Hα-helixtrans-63.6-39179.4-57.1-35.7000113K41 M47K41-D43 VanDerWaalsContact C-N 3.3Å; K41-D43 PolarHBondContact O-N 2.86Å; D43-M47 WeakPolarHBondContact O-CB 3.41Å; D43-M47 PolarHBondContact O-N 3.48Å
44V93.1Very high94.7Very high24 Ų2445.2 Ų45.215%0.14525%0.245CC..Hα-helixtrans-68.3-43.5177.6177.70000110.1L31 D35 K41 S42 M47 I48L31-V44 HydrophobicContact CD1-CG1 3.43Å; L31-V44 VanDerWaalsContact CD1-CG1 3.43Å; D35-V44 HydrophobicContact CB-CB 4.48Å; D35-V44 HydrophobicContact CB-CG1 4.1Å; D35-V44 HydrophobicContact CB-CG2 4.2Å; K41-V44 HydrophobicContact CB-CB 4.2Å; K41-V44 HydrophobicContact CB-CG2 3.93Å; K41-V44 HydrophobicContact CD-CG2 4.23Å; K41-V44 PolarHBondContact O-N 3.22Å; K41-V44 VanDerWaalsContact O-N 3.14Å; S42-V44 PolarHBondContact O-N 3Å; V44-M47 PolarHBondContact O-N 2.99Å; V44-I48 HydrophobicContact CG1-CD1 3.86Å; V44-I48 WeakPolarHBondContact O-CD1 3.47Å; V44-I48 VanDerWaalsContact O-CG1 3.24Å; V44-I48 WeakPolarHBondContact O-CG1 3.18Å; V44-I48 PolarHBondContact O-N 2.66Å
45L94.5Very high94.7Very high3 Ų344.5 Ų44.52%0.01624%0.235CC..Hα-helixtrans-66-41.4178.2-172.760.6000111.9K41 S42 M47 I48 Y49 P112 T117 L121K41-L45 PolarHBondContact O-N 3.01Å; S42-L45 PolarHBondContact O-N 3.26Å; L45-M47 VanDerWaalsContact C-N 3.34Å; L45-M47 PolarHBondContact O-N 3.14Å; L45-I48 PolarHBondContact O-N 3.22Å; L45-Y49 HydrophobicContact CD1-CD1 4.31Å; L45-Y49 HydrophobicContact CD1-CD2 4.29Å; L45-Y49 HydrophobicContact CD1-CE1 3.76Å; L45-Y49 HydrophobicContact CD1-CE2 3.75Å; L45-Y49 VanDerWaalsContact CD1-CZ 3.45Å; L45-Y49 HydrophobicContact CD2-CE2 3.68Å; L45-Y49 HydrophobicContact CG-CD2 3.89Å; L45-Y49 HydrophobicContact CG-CE1 4.37Å; L45-Y49 HydrophobicContact CG-CE2 3.42Å; L45-Y49 VanDerWaalsContact CG-CE2 3.42Å; L45-Y49 PolarHBondContact O-N 3.03Å; L45-P112 HydrophobicContact CD2-CB 3.63Å; L45-P112 HydrophobicContact CD2-CG 4.27Å; L45-T117 HydrophobicContact CD1-CG2 3.59Å; L45-T117 HydrophobicContact CD2-CG2 3.89Å; L45-T117 HydrophobicContact CG-CG2 4.38Å; L45-L121 HydrophobicContact CD1-CD1 4.27Å; L45-L121 HydrophobicContact CD1-CD2 4.16Å; L45-L121 HydrophobicContact CD1-CG 4.45Å
46Y93.9Very high94.7Very high38 Ų3844.9 Ų44.915%0.14924%0.237CC..Hα-helixtrans-55.8-50.1174.5-168.7-92.3000110.5S42 I48 Y49 M50 P84 V85 L88S42-Y46 WeakPolarHBondContact O-CB 3.43Å; S42-Y46 PolarHBondContact O-N 3.19Å; Y46-I48 PolarHBondContact O-N 3.11Å; Y46-Y49 PolarHBondContact O-N 3.3Å; Y46-M50 HydrophobicContact CD1-CG 4.17Å; Y46-M50 HydrophobicContact CD1-SD 3.43Å; Y46-M50 WeakPolarHBondContact CD1-SD 3.47Å; Y46-M50 HydrophobicContact CE1-CE 4.22Å; Y46-M50 HydrophobicContact CE1-CG 3.96Å; Y46-M50 HydrophobicContact CE1-SD 3.09Å; Y46-M50 WeakPolarHBondContact CE1-SD 3.46Å; Y46-M50 VanDerWaalsContact O-CG 3.26Å; Y46-M50 WeakPolarHBondContact O-CG 3.26Å; Y46-M50 PolarHBondContact O-N 2.9Å; Y46-P84 VanDerWaalsContact OH-CA 3.26Å; Y46-P84 WeakPolarHBondContact OH-CA 3.45Å; Y46-P84 WeakPolarHBondContact OH-CB 3.47Å; Y46-P84 PolarHBondContact OH-O 3Å; Y46-V85 HydrophobicContact CE2-CG2 4.45Å; Y46-L88 HydrophobicContact CD2-CD2 3.19Å; Y46-L88 HydrophobicContact CD2-CG 4.43Å; Y46-L88 HydrophobicContact CE2-CB 3.76Å; Y46-L88 HydrophobicContact CE2-CD2 3.27Å; Y46-L88 HydrophobicContact CE2-CG 4.1Å; Y46-L88 HydrophobicContact CG-CD2 3.93Å
47M93.4Very high94.6Very high49 Ų4949.2 Ų49.224%0.24125%0.254CS..Hα-helixtrans-58.5-45.2175.1-179.4-178.660.100112.5L23 D27 D43 V44 L45 M50 K51L23-M47 HydrophobicContact CD1-CE 3.65Å; L23-M47 HydrophobicContact CD2-CE 3.96Å; L23-M47 HydrophobicContact CD2-CG 4.04Å; L23-M47 HydrophobicContact CD2-SD 4.18Å; L23-M47 HydrophobicContact CG-CE 4.47Å; D27-M47 HydrophobicContact CB-CE 4.29Å; D27-M47 HydrophobicContact CB-SD 4.01Å; D43-M47 WeakPolarHBondContact O-CB 3.41Å; D43-M47 PolarHBondContact O-N 3.48Å; V44-M47 PolarHBondContact O-N 2.99Å; L45-M47 VanDerWaalsContact C-N 3.34Å; L45-M47 PolarHBondContact O-N 3.14Å; M47-M50 PolarHBondContact O-N 2.92Å; M47-K51 HydrophobicContact CG-CG 4.47Å; M47-K51 WeakPolarHBondContact O-CB 3.31Å; M47-K51 WeakPolarHBondContact O-CG 3.39Å; M47-K51 PolarHBondContact O-N 3.49Å
48I96.6Very high94.7Very high0 Ų047.6 Ų47.60%026%0.258CS..Hα-helixtrans-61.6-46.6179.4-68.6160.5000111I18 L22 L23 L31 F36 V44 L45 Y46 K51 A52 L121I18-I48 HydrophobicContact CD1-CD1 4.09Å; I18-I48 HydrophobicContact CD1-CG2 4.43Å; I18-I48 HydrophobicContact CG2-CD1 4.22Å; I18-I48 HydrophobicContact CG2-CG1 3.95Å; I18-I48 HydrophobicContact CG2-CG2 4.41Å; L22-I48 HydrophobicContact CD1-CG2 3.81Å; L23-I48 HydrophobicContact CD1-CG1 4.17Å; L31-I48 HydrophobicContact CD1-CD1 4.3Å; F36-I48 HydrophobicContact CE1-CD1 4.16Å; F36-I48 HydrophobicContact CZ-CD1 3.85Å; V44-I48 HydrophobicContact CG1-CD1 3.86Å; V44-I48 WeakPolarHBondContact O-CD1 3.47Å; V44-I48 VanDerWaalsContact O-CG1 3.24Å; V44-I48 WeakPolarHBondContact O-CG1 3.18Å; V44-I48 PolarHBondContact O-N 2.66Å; L45-I48 PolarHBondContact O-N 3.22Å; Y46-I48 PolarHBondContact O-N 3.11Å; I48-K51 PolarHBondContact O-N 3.16Å; I48-A52 PolarHBondContact O-N 3.46Å; I48-L121 HydrophobicContact CG2-CD2 3.61Å
49Y96.9Very high94.7Very high1 Ų142.8 Ų42.80%0.00423%0.227CC..Hα-helixtrans-65.8-43179.2-69-26.6000112.4L45 Y46 K51 A52 L53 L88 M92 F104 L121 I124L45-Y49 HydrophobicContact CD1-CD1 4.31Å; L45-Y49 HydrophobicContact CD1-CD2 4.29Å; L45-Y49 HydrophobicContact CD1-CE1 3.76Å; L45-Y49 HydrophobicContact CD1-CE2 3.75Å; L45-Y49 VanDerWaalsContact CD1-CZ 3.45Å; L45-Y49 HydrophobicContact CD2-CE2 3.68Å; L45-Y49 HydrophobicContact CG-CD2 3.89Å; L45-Y49 HydrophobicContact CG-CE1 4.37Å; L45-Y49 HydrophobicContact CG-CE2 3.42Å; L45-Y49 VanDerWaalsContact CG-CE2 3.42Å; L45-Y49 PolarHBondContact O-N 3.03Å; Y46-Y49 PolarHBondContact O-N 3.3Å; Y49-K51 VanDerWaalsContact C-N 3.33Å; Y49-K51 PolarHBondContact O-N 3.46Å; Y49-A52 PolarHBondContact O-N 2.87Å; Y49-L53 WeakPolarHBondContact O-CG 3.33Å; Y49-L53 PolarHBondContact O-N 3.12Å; Y49-L88 HydrophobicContact CD2-CD2 4.31Å; Y49-M92 HydrophobicContact CD1-CE 3.44Å; Y49-M92 VanDerWaalsContact CD1-CE 3.44Å; Y49-M92 HydrophobicContact CD1-SD 4.23Å; Y49-M92 HydrophobicContact CD2-CE 4Å; Y49-M92 HydrophobicContact CE1-CE 3.69Å; Y49-M92 HydrophobicContact CE2-CE 4.2Å; Y49-M92 HydrophobicContact CG-CE 3.61Å; Y49-M92 HydrophobicContact CG-SD 4.03Å; Y49-F104 HydrophobicContact CE2-CE2 4.09Å; Y49-F104 HydrophobicContact CE2-CZ 4.18Å; Y49-L121 HydrophobicContact CD1-CD2 4.4Å; Y49-L121 HydrophobicContact CE1-CD2 3.85Å; Y49-I124 HydrophobicContact CD1-CD1 3.8Å; Y49-I124 HydrophobicContact CE1-CD1 3.61Å
50M95.1Very high94.7Very high16 Ų1644.9 Ų44.98%0.07923%0.227CC..Hα-helixtrans-56.2-50.7173-71.217782.900110.6Y46 M47 A52 L53 Q54 L61 F64 L88Y46-M50 HydrophobicContact CD1-CG 4.17Å; Y46-M50 HydrophobicContact CD1-SD 3.43Å; Y46-M50 WeakPolarHBondContact CD1-SD 3.47Å; Y46-M50 HydrophobicContact CE1-CE 4.22Å; Y46-M50 HydrophobicContact CE1-CG 3.96Å; Y46-M50 HydrophobicContact CE1-SD 3.09Å; Y46-M50 WeakPolarHBondContact CE1-SD 3.46Å; Y46-M50 VanDerWaalsContact O-CG 3.26Å; Y46-M50 WeakPolarHBondContact O-CG 3.26Å; Y46-M50 PolarHBondContact O-N 2.9Å; M47-M50 PolarHBondContact O-N 2.92Å; M50-A52 VanDerWaalsContact C-N 3.29Å; M50-A52 PolarHBondContact O-N 3.34Å; M50-L53 CarbonylContact O-C 3.3Å; M50-L53 WeakPolarHBondContact O-CA 3.38Å; M50-L53 WeakPolarHBondContact O-CB 3.31Å; M50-L53 PolarHBondContact O-N 3.31Å; M50-Q54 WeakPolarHBondContact O-CG 3.38Å; M50-Q54 PolarHBondContact O-N 2.9Å; M50-L61 HydrophobicContact CE-CD1 3.2Å; M50-F64 HydrophobicContact CB-CE2 4.42Å; M50-F64 HydrophobicContact CB-CZ 4.16Å; M50-F64 HydrophobicContact CE-CB 4.16Å; M50-F64 HydrophobicContact CE-CD1 4.29Å; M50-F64 HydrophobicContact CE-CD2 3.44Å; M50-F64 VanDerWaalsContact CE-CD2 3.44Å; M50-F64 HydrophobicContact CE-CE2 3.8Å; M50-F64 HydrophobicContact CE-CG 3.7Å; M50-F64 HydrophobicContact CE-CZ 4.37Å; M50-F64 HydrophobicContact CG-CD1 4.3Å; M50-F64 HydrophobicContact CG-CE1 4Å; M50-F64 HydrophobicContact CG-CE2 4.31Å; M50-F64 HydrophobicContact CG-CZ 3.99Å; M50-L88 HydrophobicContact CG-CD1 4.04Å
51K95.4Very high94.4Very high68 Ų6849.1 Ų49.130%0.29625%0.249SC..Hα-helixtrans-60-38.4-179.7-70.7-76173.2-157.50112.6L22 L23 M47 I48 Y49 Q54 L55L22-K51 HydrophobicContact CB-CB 4.46Å; L23-K51 HydrophobicContact CD2-CB 4.32Å; L23-K51 HydrophobicContact CD2-CG 3.82Å; M47-K51 HydrophobicContact CG-CG 4.47Å; M47-K51 WeakPolarHBondContact O-CB 3.31Å; M47-K51 WeakPolarHBondContact O-CG 3.39Å; M47-K51 PolarHBondContact O-N 3.49Å; I48-K51 PolarHBondContact O-N 3.16Å; Y49-K51 VanDerWaalsContact C-N 3.33Å; Y49-K51 PolarHBondContact O-N 3.46Å; K51-Q54 PolarHBondContact O-N 3.06Å; K51-L55 WeakPolarHBondContact O-CB 3.4Å; K51-L55 PolarHBondContact O-N 3.37Å
52A97Very high94.3Very high0 Ų048.4 Ų48.40%025%0.248CC..Hα-helixtrans-61.2-44.2172.900000111.9L22 I48 Y49 M50 L55 V56 F95 I124L22-A52 HydrophobicContact CD1-CB 4.3Å; L22-A52 HydrophobicContact CD2-CB 3.92Å; I48-A52 PolarHBondContact O-N 3.46Å; Y49-A52 PolarHBondContact O-N 2.87Å; M50-A52 VanDerWaalsContact C-N 3.29Å; M50-A52 PolarHBondContact O-N 3.34Å; A52-L55 PolarHBondContact O-N 2.93Å; A52-V56 WeakPolarHBondContact O-CB 3.39Å; A52-V56 WeakPolarHBondContact O-CG2 3.41Å; A52-V56 PolarHBondContact O-N 2.83Å; A52-F95 HydrophobicContact CB-CE1 4.22Å; A52-I124 HydrophobicContact CB-CG2 3.91Å
53L97Very high94.3Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-68.2-37177.1-66.7169.2000112.9Y49 M50 L55 Y57 G58 V59 F64 L88 Y91 M92 F95Y49-L53 WeakPolarHBondContact O-CG 3.33Å; Y49-L53 PolarHBondContact O-N 3.12Å; M50-L53 CarbonylContact O-C 3.3Å; M50-L53 WeakPolarHBondContact O-CA 3.38Å; M50-L53 WeakPolarHBondContact O-CB 3.31Å; M50-L53 PolarHBondContact O-N 3.31Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 2.92Å; L53-Y57 HydrophobicContact CD2-CD2 3.88Å; L53-Y57 HydrophobicContact CD2-CE2 4.04Å; L53-Y57 PolarHBondContact O-N 2.91Å; L53-G58 PolarHBondContact O-N 3.32Å; L53-V59 HydrophobicContact CB-CG2 4.27Å; L53-F64 HydrophobicContact CB-CZ 4.2Å; L53-F64 HydrophobicContact CD1-CE1 3.83Å; L53-F64 HydrophobicContact CD1-CZ 3.98Å; L53-L88 HydrophobicContact CD1-CD1 3.63Å; L53-Y91 VanDerWaalsContact CD1-CB 3.46Å; L53-Y91 HydrophobicContact CD1-CG 4.33Å; L53-M92 HydrophobicContact CD1-CG 4.14Å; L53-M92 HydrophobicContact CD1-SD 4.07Å; L53-M92 HydrophobicContact CD2-SD 4.25Å; L53-M92 HydrophobicContact CG-SD 4.11Å; L53-F95 HydrophobicContact CD2-CB 3.91Å; L53-F95 HydrophobicContact CD2-CD1 3.93Å; L53-F95 HydrophobicContact CD2-CG 4.06Å
54Q95.3Very high94.3Very high56 Ų5641.8 Ų41.826%0.26221%0.206SC..Hα-helixtrans-61.4-43.5172.8-52-159.4-79.300110.5M50 K51 G58 V59M50-Q54 WeakPolarHBondContact O-CG 3.38Å; M50-Q54 PolarHBondContact O-N 2.9Å; K51-Q54 PolarHBondContact O-N 3.06Å; Q54-G58 WeakPolarHBondContact O-CA 3.24Å; Q54-G58 PolarHBondContact O-N 3.18Å; Q54-V59 VanDerWaalsContact CG-O 3.31Å; Q54-V59 WeakPolarHBondContact CG-O 3.46Å; Q54-V59 PolarHBondContact NE2-O 3.2Å
55L94.8Very high94.2Very high60 Ų6046.7 Ų46.731%0.31422%0.223SC..Hα-helixtrans-66.8-44.4-179.8178.565000112.4L22 K51 A52 L53 I128 R131L22-L55 HydrophobicContact CD2-CD2 3.95Å; K51-L55 WeakPolarHBondContact O-CB 3.4Å; K51-L55 PolarHBondContact O-N 3.37Å; A52-L55 PolarHBondContact O-N 2.93Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 2.92Å; L55-I128 HydrophobicContact CD2-CD1 4.11Å; L55-I128 HydrophobicContact CD2-CG1 4.16Å; L55-I128 HydrophobicContact CD2-CG2 4.01Å; L55-R131 PolarHBondContact O-NH2 3.47Å
56V95.1Very high93.8Very high23 Ų2351.4 Ų51.414%0.13925%0.246CC..Hα-helixtrans-84.9-43.6-171.1174.80000112.4A52 F95 F127A52-V56 WeakPolarHBondContact O-CB 3.39Å; A52-V56 WeakPolarHBondContact O-CG2 3.41Å; A52-V56 PolarHBondContact O-N 2.83Å; V56-F95 HydrophobicContact CB-CE2 4.23Å; V56-F95 HydrophobicContact CB-CZ 4.42Å; V56-F95 HydrophobicContact CG1-CD2 4.25Å; V56-F95 HydrophobicContact CG1-CE2 3.81Å; V56-F95 HydrophobicContact CG1-CZ 4.47Å; V56-F95 HydrophobicContact CG2-CE2 3.99Å; V56-F95 HydrophobicContact CG2-CZ 3.84Å; V56-F127 HydrophobicContact CB-CE1 4.42Å; V56-F127 HydrophobicContact CG1-CE1 3.63Å; V56-F127 HydrophobicContact CG1-CZ 4.24Å; V56-F127 HydrophobicContact CG2-CD1 4.21Å; V56-F127 HydrophobicContact CG2-CE1 3.82Å
57Y94.5Very high93.3Very high96 Ų9652.2 Ų52.238%0.37625%0.252SS..Hα-helixtrans-111.8-5.5-174.2-65.8-34000114.1L53 V59 F95 I98L53-Y57 HydrophobicContact CD2-CD2 3.88Å; L53-Y57 HydrophobicContact CD2-CE2 4.04Å; L53-Y57 PolarHBondContact O-N 2.91Å; Y57-V59 VanDerWaalsContact C-N 3.26Å; Y57-V59 PolarHBondContact O-N 2.67Å; Y57-F95 HydrophobicContact CE2-CB 3.89Å; Y57-F95 HydrophobicContact CE2-CD2 4.3Å; Y57-F95 HydrophobicContact CE2-CG 4.31Å; Y57-I98 WeakPolarHBondContact OH-CD1 3.4Å
58G94.5Very high92.6Very high52 Ų5252.3 Ų52.354%0.53626%0.256SS..  trans69.923.1-17600000113.4L53 Q54 R60L53-G58 PolarHBondContact O-N 3.32Å; Q54-G58 WeakPolarHBondContact O-CA 3.24Å; Q54-G58 PolarHBondContact O-N 3.18Å; G58-R60 PolarHBondContact O-N 2.97Å
59V93.6Very high91.7Very high11 Ų1160.7 Ų60.77%0.06730%0.297CS..  trans-61.9126178.2-173.40000109.5L53 Q54 Y57 H63 F64 Y91L53-V59 HydrophobicContact CB-CG2 4.27Å; Q54-V59 VanDerWaalsContact CG-O 3.31Å; Q54-V59 WeakPolarHBondContact CG-O 3.46Å; Q54-V59 PolarHBondContact NE2-O 3.2Å; Y57-V59 VanDerWaalsContact C-N 3.26Å; Y57-V59 PolarHBondContact O-N 2.67Å; V59-H63 HydrophobicContact CG1-CB 3.77Å; V59-F64 HydrophobicContact CB-CE2 4.19Å; V59-F64 HydrophobicContact CB-CZ 4.22Å; V59-F64 HydrophobicContact CG1-CD2 4.16Å; V59-F64 HydrophobicContact CG1-CE1 4.47Å; V59-F64 HydrophobicContact CG1-CE2 3.52Å; V59-F64 HydrophobicContact CG1-CZ 3.7Å; V59-Y91 HydrophobicContact CG1-CD2 4.34Å; V59-Y91 HydrophobicContact CG1-CE2 3.87Å; V59-Y91 HydrophobicContact CG2-CD1 4.27Å; V59-Y91 HydrophobicContact CG2-CE1 4.21Å
60R93.4Very high90.7Very high139 Ų13968.2 Ų68.253%0.52534%0.338SS..  trans-80.4152.4177.8-60.8-173.9-62.9-170.70.6109.8G58 E62 H63G58-R60 PolarHBondContact O-N 2.97Å; R60-E62 HydrophobicContact CB-CG 3.78Å; R60-E62 IonicContact CZ-OE1 2.68Å; R60-E62 IonicContact NE-OE1 2.72Å; R60-E62 PolarHBondContact NE-OE1 2.89Å; R60-E62 IonicContact NH1-OE1 3.08Å; R60-E62 IonicContact NH2-OE1 3.08Å; R60-E62 PolarHBondContact NH2-OE1 2.84Å; R60-E62 PolarHBondContact O-N 3.22Å; R60-H63 PolarHBondContact N-ND1 3Å; R60-H63 PolarHBondContact NE-CE1 3.4Å; R60-H63 VanDerWaalsContact NE-CE1 3.34Å; R60-H63 PolarHBondContact NE-NE2 3.45Å; R60-H63 PolarHBondContact NH2-NE2 3.42Å; R60-H63 WeakPolarHBondContact O-CB 3.08Å; R60-H63 PolarHBondContact O-N 2.89Å
61L90.8Very high89.8Confident98 Ų9870.7 Ų70.751%0.51335%0.351SS..G310 helixtrans-55.6-41.7-178.8179.759.6000112.1M50 H63 F64 Y65M50-L61 HydrophobicContact CE-CD1 3.2Å; L61-H63 VanDerWaalsContact C-N 3.25Å; L61-H63 PolarHBondContact O-N 3.22Å; L61-F64 WeakPolarHBondContact O-CD2 3.45Å; L61-F64 PolarHBondContact O-N 3.1Å; L61-Y65 HydrophobicContact CD1-CE2 3.95Å; L61-Y65 HydrophobicContact CG-CE2 4.26Å; L61-Y65 VanDerWaalsContact O-CD2 3.25Å; L61-Y65 WeakPolarHBondContact O-CD2 3.29Å
62E91.9Very high88.9Confident91 Ų9177 Ų7743%0.42538%0.381SS..G310 helixtrans-56.8-34.1176.556.8-177.5-139.400113.6R60 F64 Y65 M66R60-E62 HydrophobicContact CB-CG 3.78Å; R60-E62 IonicContact CZ-OE1 2.68Å; R60-E62 IonicContact NE-OE1 2.72Å; R60-E62 PolarHBondContact NE-OE1 2.89Å; R60-E62 IonicContact NH1-OE1 3.08Å; R60-E62 IonicContact NH2-OE1 3.08Å; R60-E62 PolarHBondContact NH2-OE1 2.84Å; R60-E62 PolarHBondContact O-N 3.22Å; E62-F64 PolarHBondContact O-N 2.92Å; E62-F64 VanDerWaalsContact O-N 3.14Å; E62-Y65 CarbonylContact O-C 3.56Å; E62-Y65 WeakPolarHBondContact O-CA 3.37Å; E62-Y65 PolarHBondContact O-N 3.36Å; E62-M66 HydrophobicContact CG-SD 4.46Å; E62-M66 VanDerWaalsContact O-CG 3.32Å; E62-M66 WeakPolarHBondContact O-CG 3.25Å; E62-M66 PolarHBondContact O-N 2.86Å
63H91.7Very high88Confident53 Ų5378.6 Ų78.625%0.24539%0.391CS..G310 helixtrans-63.8-24.9-175.7-63.5154.1000112.5V59 R60 L61 Y65V59-H63 HydrophobicContact CG1-CB 3.77Å; R60-H63 PolarHBondContact N-ND1 3Å; R60-H63 PolarHBondContact NE-CE1 3.4Å; R60-H63 VanDerWaalsContact NE-CE1 3.34Å; R60-H63 PolarHBondContact NE-NE2 3.45Å; R60-H63 PolarHBondContact NH2-NE2 3.42Å; R60-H63 WeakPolarHBondContact O-CB 3.08Å; R60-H63 PolarHBondContact O-N 2.89Å; L61-H63 VanDerWaalsContact C-N 3.25Å; L61-H63 PolarHBondContact O-N 3.22Å; H63-Y65 VanDerWaalsContact C-N 3.28Å; H63-Y65 PolarHBondContact O-N 2.91Å
64F91.6Very high87.3Confident0 Ų084.2 Ų84.20%043%0.425CS..G310 helixtrans-70.6-26.5174.4-63.3-86.1000112.5M50 L53 V59 L61 E62 L83 P84 S87 L88 Y91M50-F64 HydrophobicContact CB-CE2 4.42Å; M50-F64 HydrophobicContact CB-CZ 4.16Å; M50-F64 HydrophobicContact CE-CB 4.16Å; M50-F64 HydrophobicContact CE-CD1 4.29Å; M50-F64 HydrophobicContact CE-CD2 3.44Å; M50-F64 VanDerWaalsContact CE-CD2 3.44Å; M50-F64 HydrophobicContact CE-CE2 3.8Å; M50-F64 HydrophobicContact CE-CG 3.7Å; M50-F64 HydrophobicContact CE-CZ 4.37Å; M50-F64 HydrophobicContact CG-CD1 4.3Å; M50-F64 HydrophobicContact CG-CE1 4Å; M50-F64 HydrophobicContact CG-CE2 4.31Å; M50-F64 HydrophobicContact CG-CZ 3.99Å; L53-F64 HydrophobicContact CB-CZ 4.2Å; L53-F64 HydrophobicContact CD1-CE1 3.83Å; L53-F64 HydrophobicContact CD1-CZ 3.98Å; V59-F64 HydrophobicContact CB-CE2 4.19Å; V59-F64 HydrophobicContact CB-CZ 4.22Å; V59-F64 HydrophobicContact CG1-CD2 4.16Å; V59-F64 HydrophobicContact CG1-CE1 4.47Å; V59-F64 HydrophobicContact CG1-CE2 3.52Å; V59-F64 HydrophobicContact CG1-CZ 3.7Å; L61-F64 WeakPolarHBondContact O-CD2 3.45Å; L61-F64 PolarHBondContact O-N 3.1Å; E62-F64 PolarHBondContact O-N 2.92Å; E62-F64 VanDerWaalsContact O-N 3.14Å; F64-L83 CarbonylContact O-C 3.54Å; F64-P84 WeakPolarHBondContact O-CA 3.45Å; F64-S87 VanDerWaalsContact O-CB 3.31Å; F64-S87 WeakPolarHBondContact O-CB 3.48Å; F64-S87 PolarHBondContact O-OG 3.42Å; F64-S87 VanDerWaalsContact O-OG 3.07Å; F64-L88 HydrophobicContact CD1-CB 4.35Å; F64-L88 HydrophobicContact CD1-CD1 4.42Å; F64-L88 HydrophobicContact CE1-CB 4.49Å; F64-L88 HydrophobicContact CE1-CD1 3.82Å; F64-Y91 HydrophobicContact CD1-CD2 4.3Å; F64-Y91 AromaticContact CE1-CD2 3.92Å; F64-Y91 HydrophobicContact CE1-CD2 3.92Å; F64-Y91 HydrophobicContact CE1-CE2 4.46Å
65Y90.4Very high86.7Confident127 Ų12788.2 Ų88.250%0.49844%0.439SS..THydrogen-bonded Turntrans-101.8-8.2-177.4-58-90.5000113.1L61 E62 H63 P84L61-Y65 HydrophobicContact CD1-CE2 3.95Å; L61-Y65 HydrophobicContact CG-CE2 4.26Å; L61-Y65 VanDerWaalsContact O-CD2 3.25Å; L61-Y65 WeakPolarHBondContact O-CD2 3.29Å; E62-Y65 CarbonylContact O-C 3.56Å; E62-Y65 WeakPolarHBondContact O-CA 3.37Å; E62-Y65 PolarHBondContact O-N 3.36Å; H63-Y65 VanDerWaalsContact C-N 3.28Å; H63-Y65 PolarHBondContact O-N 2.91Å; Y65-P84 HydrophobicContact CD1-CB 4.44Å; Y65-P84 HydrophobicContact CD1-CG 3.59Å; Y65-P84 HydrophobicContact CE1-CB 4.13Å; Y65-P84 HydrophobicContact CE1-CG 3.54Å
66M87.8Confident86.1Confident102 Ų10289 Ų8950%0.50245%0.448SS..PPolyproline II helixtrans-79.3137.1179.8-72.918082.200111.9E62E62-M66 HydrophobicContact CG-SD 4.46Å; E62-M66 VanDerWaalsContact O-CG 3.32Å; E62-M66 WeakPolarHBondContact O-CG 3.25Å; E62-M66 PolarHBondContact O-N 2.86Å
67M82.1Confident85.5Confident54 Ų5493.7 Ų93.727%0.26647%0.468SS..PPolyproline II helixtrans-73.3133.8169.7-175.465.597.600109.9M69 V73 P76 M79 L83M67-M69 PolarHBondContact O-N 3.49Å; M67-V73 HydrophobicContact CE-CB 3.78Å; M67-V73 HydrophobicContact CE-CG1 4.08Å; M67-V73 HydrophobicContact CE-CG2 3.41Å; M67-V73 VanDerWaalsContact CE-CG2 3.41Å; M67-V73 HydrophobicContact SD-CG2 4.09Å; M67-P76 HydrophobicContact CE-CB 4.46Å; M67-M79 HydrophobicContact CE-CB 3.92Å; M67-M79 HydrophobicContact CE-CG 4.05Å; M67-L83 HydrophobicContact CB-CD1 4.42Å; M67-L83 HydrophobicContact CE-CD2 4.47Å; M67-L83 HydrophobicContact SD-CD2 3.81Å
68P80Confident84.9Confident51 Ų5194 Ų9433%0.33148%0.475SS..PPolyproline II helixtrans-62.2134.9172.6-22.333.8000111.5N70 I71P68-N70 PolarHBondContact O-N 3.28Å; P68-N70 VanDerWaalsContact O-N 3.07Å; P68-I71 HydrophobicContact CB-CD1 3.96Å; P68-I71 HydrophobicContact CB-CG1 4.22Å; P68-I71 HydrophobicContact CG-CD1 3.91Å; P68-I71 PolarHBondContact O-N 3.48Å
69M76.4Confident84.3Confident176 Ų17695.1 Ų95.187%0.86747%0.467SS*.THydrogen-bonded Turntrans-62.4-18.9-176.2-62-59-65.600114.3M67M67-M69 PolarHBondContact O-N 3.49Å
70N76.5Confident83.7Confident160 Ų160101.3 Ų101.386%0.85650%0.496SS*.THydrogen-bonded Turntrans-98.214.7-170.9-59-10.1000113.4P68P68-N70 PolarHBondContact O-N 3.28Å; P68-N70 VanDerWaalsContact O-N 3.07Å
71I75Confident83.3Confident67 Ų6797.8 Ų97.834%0.34450%0.503SS..  trans-122.1110.3-177.7-51176.9000108.9P68 V73P68-I71 HydrophobicContact CB-CD1 3.96Å; P68-I71 HydrophobicContact CB-CG1 4.22Å; P68-I71 HydrophobicContact CG-CD1 3.91Å; P68-I71 PolarHBondContact O-N 3.48Å; I71-V73 HydrophobicContact CB-CG2 4.22Å; I71-V73 HydrophobicContact CG2-CG2 3.45Å; I71-V73 VanDerWaalsContact CG2-CG2 3.45Å; I71-V73 PolarHBondContact O-N 2.95Å; I71-V73 VanDerWaalsContact O-N 3.12Å
72E77.5Confident83.1Confident201 Ų201100 Ų10094%0.93951%0.508SS*.  trans-72.4100.4166.5-73.2-175.2178.400108.9
73V78.4Confident83Confident33 Ų3396.3 Ų96.320%0.249%0.492CS..  trans-102.2117.3174.7-1790000108.8M67 I71 Y75 P76 M79M67-V73 HydrophobicContact CE-CB 3.78Å; M67-V73 HydrophobicContact CE-CG1 4.08Å; M67-V73 HydrophobicContact CE-CG2 3.41Å; M67-V73 VanDerWaalsContact CE-CG2 3.41Å; M67-V73 HydrophobicContact SD-CG2 4.09Å; I71-V73 HydrophobicContact CB-CG2 4.22Å; I71-V73 HydrophobicContact CG2-CG2 3.45Å; I71-V73 VanDerWaalsContact CG2-CG2 3.45Å; I71-V73 PolarHBondContact O-N 2.95Å; I71-V73 VanDerWaalsContact O-N 3.12Å; V73-Y75 PolarHBondContact O-N 3.04Å; V73-P76 WeakPolarHBondContact O-CD 3.21Å; V73-M79 HydrophobicContact CG1-CG 3.73Å
74T81.9Confident82.9Confident118 Ų11894.6 Ų94.672%0.72449%0.485SS*.SBendtrans-58.3-31.7-179.9-44.20000112.9
75Y82.7Confident82.9Confident141 Ų14196.5 Ų96.555%0.55350%0.497SS*.  trans-13580-179.7-57-70.9000111.6V73 H77 L78V73-Y75 PolarHBondContact O-N 3.04Å; Y75-H77 VanDerWaalsContact C-N 3.26Å; Y75-H77 AromaticContact CD1-CE1 3.89Å; Y75-H77 PolarHBondContact O-N 3.19Å; Y75-L78 HydrophobicContact CD2-CD1 4.38Å; Y75-L78 HydrophobicContact CG-CD1 4.2Å; Y75-L78 PolarHBondContact O-N 3.46Å; Y75-L78 VanDerWaalsContact O-N 3.16Å
76P81.6Confident82.9Confident76 Ų7695.9 Ų95.949%0.49449%0.494SS..Hα-helixtrans-58.7-33.8-174.9-26.435.7000114.2M67 V73 L78 M79 E80M67-P76 HydrophobicContact CE-CB 4.46Å; V73-P76 WeakPolarHBondContact O-CD 3.21Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 2.94Å; P76-M79 WeakPolarHBondContact O-CB 3.31Å; P76-M79 PolarHBondContact O-N 2.99Å; P76-E80 PolarHBondContact O-N 2.85Å
77H83Confident83.2Confident122 Ų12291.5 Ų91.557%0.56547%0.473SS*.Hα-helixtrans-63-30179.663.9-86000113.5Y75 M79 E80Y75-H77 VanDerWaalsContact C-N 3.26Å; Y75-H77 AromaticContact CD1-CE1 3.89Å; Y75-H77 PolarHBondContact O-N 3.19Å; H77-M79 PolarHBondContact O-N 3.3Å; H77-E80 PolarHBondContact O-N 2.84Å
78L82.6Confident83.8Confident102 Ų10289 Ų8953%0.53446%0.46SS..Hα-helixtrans-70.3-21.8175.8-62.8-179.4000112Y75 P76 F82Y75-L78 HydrophobicContact CD2-CD1 4.38Å; Y75-L78 HydrophobicContact CG-CD1 4.2Å; Y75-L78 PolarHBondContact O-N 3.46Å; Y75-L78 VanDerWaalsContact O-N 3.16Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 2.94Å; L78-F82 VanDerWaalsContact O-CD2 3.31Å; L78-F82 WeakPolarHBondContact O-CD2 3.27Å
79M80.4Confident84.5Confident75 Ų7589 Ų8937%0.36946%0.455SS..Hα-helixtrans-87.6-19.1-179.1-60.1-59.7-116.300112.8M67 V73 P76 H77 G81 F82 L83M67-M79 HydrophobicContact CE-CB 3.92Å; M67-M79 HydrophobicContact CE-CG 4.05Å; V73-M79 HydrophobicContact CG1-CG 3.73Å; P76-M79 WeakPolarHBondContact O-CB 3.31Å; P76-M79 PolarHBondContact O-N 2.99Å; H77-M79 PolarHBondContact O-N 3.3Å; M79-G81 VanDerWaalsContact C-N 3.26Å; M79-G81 PolarHBondContact O-N 3.18Å; M79-G81 VanDerWaalsContact O-N 3.16Å; M79-F82 CarbonylContact O-C 3.58Å; M79-F82 WeakPolarHBondContact O-CA 3.28Å; M79-F82 PolarHBondContact O-N 2.83Å; M79-L83 HydrophobicContact CB-CG 4.28Å; M79-L83 WeakPolarHBondContact O-CG 3.35Å; M79-L83 PolarHBondContact O-N 3.11Å
80E82.7Confident85.3Confident141 Ų14187.2 Ų87.266%0.65944%0.443SS*.THydrogen-bonded Turntrans-53.7-41-172.1-169.9173.1-17100112.8P76 H77 F82 P84P76-E80 PolarHBondContact O-N 2.85Å; H77-E80 PolarHBondContact O-N 2.84Å; E80-F82 VanDerWaalsContact C-N 3.34Å; E80-F82 PolarHBondContact O-N 2.95Å; E80-P84 VanDerWaalsContact O-CD 3.29Å; E80-P84 WeakPolarHBondContact O-CD 3.23Å
81G84.4Confident86.3Confident65 Ų6582.5 Ų82.567%0.6741%0.414SS*.THydrogen-bonded Turntrans-71.4-23.3176.200000114.9M79M79-G81 VanDerWaalsContact C-N 3.26Å; M79-G81 PolarHBondContact O-N 3.18Å; M79-G81 VanDerWaalsContact O-N 3.16Å
82F86.6Confident87.3Confident145 Ų14579.3 Ų79.364%0.63640%0.397SS*.THydrogen-bonded Turntrans-96.3-23-179.1-60.2-79.3000113.1L78 M79 E80 V85 R86L78-F82 VanDerWaalsContact O-CD2 3.31Å; L78-F82 WeakPolarHBondContact O-CD2 3.27Å; M79-F82 CarbonylContact O-C 3.58Å; M79-F82 WeakPolarHBondContact O-CA 3.28Å; M79-F82 PolarHBondContact O-N 2.83Å; E80-F82 VanDerWaalsContact C-N 3.34Å; E80-F82 PolarHBondContact O-N 2.95Å; F82-V85 PolarHBondContact O-N 3.14Å; F82-R86 WeakPolarHBondContact O-CB 3.5Å; F82-R86 PolarHBondContact O-N 2.9Å
83L89Confident88.2Confident14 Ų1473.9 Ų73.97%0.07338%0.375CS..Hα-helixtrans-53-47.7-178.3-79.6177000112.6F64 M67 M79 V85 R86 S87F64-L83 CarbonylContact O-C 3.54Å; M67-L83 HydrophobicContact CB-CD1 4.42Å; M67-L83 HydrophobicContact CE-CD2 4.47Å; M67-L83 HydrophobicContact SD-CD2 3.81Å; M79-L83 HydrophobicContact CB-CG 4.28Å; M79-L83 WeakPolarHBondContact O-CG 3.35Å; M79-L83 PolarHBondContact O-N 3.11Å; L83-V85 PolarHBondContact O-N 3.46Å; L83-R86 PolarHBondContact O-N 3.1Å; L83-S87 VanDerWaalsContact O-CB 3.23Å; L83-S87 WeakPolarHBondContact O-CB 3.42Å; L83-S87 PolarHBondContact O-N 2.87Å; L83-S87 PolarHBondContact O-OG 3.49Å
84P90.5Very high89Confident17 Ų1775.8 Ų75.811%0.1139%0.389CS..Hα-helixtrans-60.1-48.9-177.9-23.334.9000112.1Y46 F64 Y65 E80 R86 S87 L88Y46-P84 VanDerWaalsContact OH-CA 3.26Å; Y46-P84 WeakPolarHBondContact OH-CA 3.45Å; Y46-P84 WeakPolarHBondContact OH-CB 3.47Å; Y46-P84 PolarHBondContact OH-O 3Å; F64-P84 WeakPolarHBondContact O-CA 3.45Å; Y65-P84 HydrophobicContact CD1-CB 4.44Å; Y65-P84 HydrophobicContact CD1-CG 3.59Å; Y65-P84 HydrophobicContact CE1-CB 4.13Å; Y65-P84 HydrophobicContact CE1-CG 3.54Å; E80-P84 VanDerWaalsContact O-CD 3.29Å; E80-P84 WeakPolarHBondContact O-CD 3.23Å; P84-R86 PolarHBondContact O-N 2.88Å; P84-S87 PolarHBondContact O-N 3.18Å; P84-L88 VanDerWaalsContact O-CB 3.3Å; P84-L88 WeakPolarHBondContact O-CB 3.09Å; P84-L88 PolarHBondContact O-N 2.89Å
85V91.9Very high89.8Confident40 Ų4070.1 Ų70.124%0.24236%0.355CS..Hα-helixtrans-63.1-44.6179179.70000111.3Y46 F82 L83 L88 F89 I109 L110Y46-V85 HydrophobicContact CE2-CG2 4.45Å; F82-V85 PolarHBondContact O-N 3.14Å; L83-V85 PolarHBondContact O-N 3.46Å; V85-L88 PolarHBondContact O-N 3.41Å; V85-F89 WeakPolarHBondContact O-CB 3.28Å; V85-F89 PolarHBondContact O-N 2.85Å; V85-I109 HydrophobicContact CG1-CG2 4.21Å; V85-L110 HydrophobicContact CG1-CD2 3.9Å
86R90.5Very high90.5Very high114 Ų11463.5 Ų63.543%0.4333%0.329SS..Hα-helixtrans-63.1-47.4178.4178.7178.3176.8-94.5-1.5111.7F82 L83 P84 F89 F90F82-R86 WeakPolarHBondContact O-CB 3.5Å; F82-R86 PolarHBondContact O-N 2.9Å; L83-R86 PolarHBondContact O-N 3.1Å; P84-R86 PolarHBondContact O-N 2.88Å; R86-F89 PolarHBondContact O-N 3.48Å; R86-F90 WeakPolarHBondContact O-CB 3.23Å; R86-F90 PolarHBondContact O-N 2.9Å
87S92.7Very high91.2Very high10 Ų1062.5 Ų62.57%0.0732%0.323CS..Hα-helixtrans-64.1-42.9179.1-62.70000110.8F64 L83 P84 F90 Y91F64-S87 VanDerWaalsContact O-CB 3.31Å; F64-S87 WeakPolarHBondContact O-CB 3.48Å; F64-S87 PolarHBondContact O-OG 3.42Å; F64-S87 VanDerWaalsContact O-OG 3.07Å; L83-S87 VanDerWaalsContact O-CB 3.23Å; L83-S87 WeakPolarHBondContact O-CB 3.42Å; L83-S87 PolarHBondContact O-N 2.87Å; L83-S87 PolarHBondContact O-OG 3.49Å; P84-S87 PolarHBondContact O-N 3.18Å; S87-F90 WeakPolarHBondContact O-CB 3.42Å; S87-F90 PolarHBondContact O-N 3.45Å; S87-Y91 WeakPolarHBondContact O-CD2 3.47Å; S87-Y91 PolarHBondContact O-N 2.83Å
88L95Very high91.8Very high0 Ų060.5 Ų60.50%032%0.315CS..Hα-helixtrans-59.4-50.2174.6-178.665000111Y46 Y49 M50 L53 F64 P84 V85 F90 Y91 M92 I109Y46-L88 HydrophobicContact CD2-CD2 3.19Å; Y46-L88 HydrophobicContact CD2-CG 4.43Å; Y46-L88 HydrophobicContact CE2-CB 3.76Å; Y46-L88 HydrophobicContact CE2-CD2 3.27Å; Y46-L88 HydrophobicContact CE2-CG 4.1Å; Y46-L88 HydrophobicContact CG-CD2 3.93Å; Y49-L88 HydrophobicContact CD2-CD2 4.31Å; M50-L88 HydrophobicContact CG-CD1 4.04Å; L53-L88 HydrophobicContact CD1-CD1 3.63Å; F64-L88 HydrophobicContact CD1-CB 4.35Å; F64-L88 HydrophobicContact CD1-CD1 4.42Å; F64-L88 HydrophobicContact CE1-CB 4.49Å; F64-L88 HydrophobicContact CE1-CD1 3.82Å; P84-L88 VanDerWaalsContact O-CB 3.3Å; P84-L88 WeakPolarHBondContact O-CB 3.09Å; P84-L88 PolarHBondContact O-N 2.89Å; V85-L88 PolarHBondContact O-N 3.41Å; L88-F90 VanDerWaalsContact C-N 3.31Å; L88-F90 PolarHBondContact O-N 2.79Å; L88-Y91 PolarHBondContact O-N 3.46Å; L88-M92 HydrophobicContact CD1-CG 3.97Å; L88-M92 HydrophobicContact CG-CG 4.12Å; L88-M92 VanDerWaalsContact O-CB 3.32Å; L88-M92 WeakPolarHBondContact O-CB 3.26Å; L88-M92 WeakPolarHBondContact O-CG 3.38Å; L88-M92 PolarHBondContact O-N 3.24Å; L88-I109 HydrophobicContact CD2-CD1 4.21Å; L88-I109 HydrophobicContact CD2-CG2 4.25Å; L88-I109 HydrophobicContact CG-CD1 4.22Å
89F95.4Very high92.5Very high51 Ų5155.8 Ų55.822%0.22429%0.291CS..Hα-helixtrans-58.1-45.4177.6178.6-106.6000111.3V85 R86 Y91 M92 D93 F104 I106 I109V85-F89 WeakPolarHBondContact O-CB 3.28Å; V85-F89 PolarHBondContact O-N 2.85Å; R86-F89 PolarHBondContact O-N 3.48Å; F89-Y91 PolarHBondContact O-N 3.31Å; F89-M92 PolarHBondContact O-N 3.36Å; F89-D93 HydrophobicContact CE1-CB 4.42Å; F89-D93 HydrophobicContact CE2-CB 4.49Å; F89-D93 HydrophobicContact CZ-CB 4.25Å; F89-D93 VanDerWaalsContact O-CB 3.26Å; F89-D93 WeakPolarHBondContact O-CB 3.48Å; F89-D93 PolarHBondContact O-N 3.44Å; F89-F104 HydrophobicContact CD2-CD1 4.43Å; F89-F104 AromaticContact CD2-CE1 3.96Å; F89-F104 HydrophobicContact CD2-CE1 3.96Å; F89-F104 HydrophobicContact CE2-CD1 4.2Å; F89-F104 HydrophobicContact CE2-CE1 4.19Å; F89-I106 HydrophobicContact CD2-CB 4.01Å; F89-I106 HydrophobicContact CD2-CG1 4.37Å; F89-I106 HydrophobicContact CE2-CB 4.11Å; F89-I106 VanDerWaalsContact CE2-N 3.34Å; F89-I106 HydrophobicContact CG-CB 4.3Å; F89-I106 HydrophobicContact CG-CG1 4.31Å; F89-I106 HydrophobicContact CZ-CB 4.47Å; F89-I109 HydrophobicContact CB-CD1 3.84Å; F89-I109 HydrophobicContact CD2-CD1 4.11Å; F89-I109 HydrophobicContact CG-CD1 4.49Å
90F93.7Very high93.2Very high140 Ų14060.9 Ų60.961%0.61431%0.306SS*.Hα-helixtrans-55.7-47.1178.1176-97.5000112.8R86 S87 L88R86-F90 WeakPolarHBondContact O-CB 3.23Å; R86-F90 PolarHBondContact O-N 2.9Å; S87-F90 WeakPolarHBondContact O-CB 3.42Å; S87-F90 PolarHBondContact O-N 3.45Å; L88-F90 VanDerWaalsContact C-N 3.31Å; L88-F90 PolarHBondContact O-N 2.79Å
91Y95.8Very high93.9Very high61 Ų6154.3 Ų54.324%0.23928%0.276CS..Hα-helixtrans-70.7-38.7177.1-70.7-61.3000112.8L53 V59 F64 S87 L88 F89 S94 F95L53-Y91 VanDerWaalsContact CD1-CB 3.46Å; L53-Y91 HydrophobicContact CD1-CG 4.33Å; V59-Y91 HydrophobicContact CG1-CD2 4.34Å; V59-Y91 HydrophobicContact CG1-CE2 3.87Å; V59-Y91 HydrophobicContact CG2-CD1 4.27Å; V59-Y91 HydrophobicContact CG2-CE1 4.21Å; F64-Y91 HydrophobicContact CD1-CD2 4.3Å; F64-Y91 AromaticContact CE1-CD2 3.92Å; F64-Y91 HydrophobicContact CE1-CD2 3.92Å; F64-Y91 HydrophobicContact CE1-CE2 4.46Å; S87-Y91 WeakPolarHBondContact O-CD2 3.47Å; S87-Y91 PolarHBondContact O-N 2.83Å; L88-Y91 PolarHBondContact O-N 3.46Å; F89-Y91 PolarHBondContact O-N 3.31Å; Y91-S94 PolarHBondContact O-N 2.82Å; Y91-F95 WeakPolarHBondContact O-CB 3.31Å; Y91-F95 PolarHBondContact O-N 3.45Å
92M97.3Very high94.4Very high0 Ų057.8 Ų57.80%028%0.278CS..Hα-helixtrans-67.1-39.2178.8-73.4-63.7-70.100112Y49 L53 L88 F89 S94 F95 M96 F104 I124Y49-M92 HydrophobicContact CD1-CE 3.44Å; Y49-M92 VanDerWaalsContact CD1-CE 3.44Å; Y49-M92 HydrophobicContact CD1-SD 4.23Å; Y49-M92 HydrophobicContact CD2-CE 4Å; Y49-M92 HydrophobicContact CE1-CE 3.69Å; Y49-M92 HydrophobicContact CE2-CE 4.2Å; Y49-M92 HydrophobicContact CG-CE 3.61Å; Y49-M92 HydrophobicContact CG-SD 4.03Å; L53-M92 HydrophobicContact CD1-CG 4.14Å; L53-M92 HydrophobicContact CD1-SD 4.07Å; L53-M92 HydrophobicContact CD2-SD 4.25Å; L53-M92 HydrophobicContact CG-SD 4.11Å; L88-M92 HydrophobicContact CD1-CG 3.97Å; L88-M92 HydrophobicContact CG-CG 4.12Å; L88-M92 VanDerWaalsContact O-CB 3.32Å; L88-M92 WeakPolarHBondContact O-CB 3.26Å; L88-M92 WeakPolarHBondContact O-CG 3.38Å; L88-M92 PolarHBondContact O-N 3.24Å; F89-M92 PolarHBondContact O-N 3.36Å; M92-S94 PolarHBondContact O-N 2.82Å; M92-F95 PolarHBondContact O-N 3.49Å; M92-F95 HydrophobicContact SD-CD1 4.07Å; M92-M96 HydrophobicContact CB-CG 4.47Å; M92-M96 HydrophobicContact CE-CG 3.83Å; M92-M96 HydrophobicContact CE-SD 3.47Å; M92-M96 WeakPolarHBondContact CE-SD 3.34Å; M92-M96 WeakPolarHBondContact O-CB 3.28Å; M92-M96 WeakPolarHBondContact O-CG 3.34Å; M92-M96 PolarHBondContact O-N 3.29Å; M92-F104 HydrophobicContact CB-CD1 4.26Å; M92-F104 HydrophobicContact CB-CE1 3.5Å; M92-F104 VanDerWaalsContact CB-CE1 3.5Å; M92-F104 HydrophobicContact CB-CZ 3.96Å; M92-F104 HydrophobicContact CE-CE2 4.27Å; M92-F104 HydrophobicContact CE-CZ 4.02Å; M92-F104 HydrophobicContact CG-CE1 4.36Å; M92-F104 HydrophobicContact CG-CZ 4.35Å; M92-I124 HydrophobicContact CE-CD1 4.04Å
93D95.8Very high94.8Very high86 Ų8653.9 Ų53.946%0.4626%0.264SS..Hα-helixtrans-59.5-36.3177.5-168.356.6000111.4F89 P97F89-D93 HydrophobicContact CE1-CB 4.42Å; F89-D93 HydrophobicContact CE2-CB 4.49Å; F89-D93 HydrophobicContact CZ-CB 4.25Å; F89-D93 VanDerWaalsContact O-CB 3.26Å; F89-D93 WeakPolarHBondContact O-CB 3.48Å; F89-D93 PolarHBondContact O-N 3.44Å; D93-P97 WeakPolarHBondContact O-CD 3.21Å; D93-P97 WeakPolarHBondContact O-CG 3.29Å
94S95.8Very high95.1Very high73 Ų7353.7 Ų53.751%0.5126%0.263SS..Hα-helixtrans-75.5-33.5171.8-175.70000113.5Y91 M92Y91-S94 PolarHBondContact O-N 2.82Å; M92-S94 PolarHBondContact O-N 2.82Å
95F97.9Very high95.4Very high0 Ų058.4 Ų58.40%028%0.284CS..Hα-helixtrans-82.6-38-174.2179.4-135.9000114.1A52 L53 V56 Y57 Y91 M92 I98 C99 I124 F127A52-F95 HydrophobicContact CB-CE1 4.22Å; L53-F95 HydrophobicContact CD2-CB 3.91Å; L53-F95 HydrophobicContact CD2-CD1 3.93Å; L53-F95 HydrophobicContact CD2-CG 4.06Å; V56-F95 HydrophobicContact CB-CE2 4.23Å; V56-F95 HydrophobicContact CB-CZ 4.42Å; V56-F95 HydrophobicContact CG1-CD2 4.25Å; V56-F95 HydrophobicContact CG1-CE2 3.81Å; V56-F95 HydrophobicContact CG1-CZ 4.47Å; V56-F95 HydrophobicContact CG2-CE2 3.99Å; V56-F95 HydrophobicContact CG2-CZ 3.84Å; Y57-F95 HydrophobicContact CE2-CB 3.89Å; Y57-F95 HydrophobicContact CE2-CD2 4.3Å; Y57-F95 HydrophobicContact CE2-CG 4.31Å; Y91-F95 WeakPolarHBondContact O-CB 3.31Å; Y91-F95 PolarHBondContact O-N 3.45Å; M92-F95 PolarHBondContact O-N 3.49Å; M92-F95 HydrophobicContact SD-CD1 4.07Å; F95-I98 VanDerWaalsContact O-CB 3.32Å; F95-I98 WeakPolarHBondContact O-CB 3.08Å; F95-I98 PolarHBondContact O-N 2.85Å; F95-I98 VanDerWaalsContact O-N 3.09Å; F95-C99 WeakPolarHBondContact CE2-SG 3.48Å; F95-C99 WeakPolarHBondContact CZ-SG 3.25Å; F95-C99 PolarHBondContact O-N 3.47Å; F95-I124 HydrophobicContact CE1-CG1 3.99Å; F95-I124 HydrophobicContact CE1-CG2 4.12Å; F95-I124 HydrophobicContact CZ-CG2 4.36Å; F95-F127 AromaticContact CE2-CD1 3.58Å; F95-F127 HydrophobicContact CE2-CD1 3.58Å; F95-F127 AromaticContact CE2-CE1 3.67Å; F95-F127 HydrophobicContact CE2-CE1 3.67Å; F95-F127 HydrophobicContact CE2-CG 4.33Å; F95-F127 HydrophobicContact CE2-CZ 4.47Å; F95-F127 AromaticContact CZ-CD1 3.84Å; F95-F127 HydrophobicContact CZ-CD1 3.84Å; F95-F127 HydrophobicContact CZ-CE1 4.27Å
96M97.7Very high95.6Very high1 Ų160.3 Ų60.31%0.00529%0.292CS..THydrogen-bonded Turntrans-63.1-39.3-173-71-58-74.200113.6M92 I98 C99 R100 V101 F104 F120 I124M92-M96 HydrophobicContact CB-CG 4.47Å; M92-M96 HydrophobicContact CE-CG 3.83Å; M92-M96 HydrophobicContact CE-SD 3.47Å; M92-M96 WeakPolarHBondContact CE-SD 3.34Å; M92-M96 WeakPolarHBondContact O-CB 3.28Å; M92-M96 WeakPolarHBondContact O-CG 3.34Å; M92-M96 PolarHBondContact O-N 3.29Å; M96-I98 PolarHBondContact O-N 2.8Å; M96-C99 CarbonylContact O-C 3.59Å; M96-C99 WeakPolarHBondContact O-CA 3.38Å; M96-C99 WeakPolarHBondContact O-CB 3.19Å; M96-C99 PolarHBondContact O-N 2.92Å; M96-R100 PolarHBondContact O-N 3.34Å; M96-V101 CarbonylContact C-O 3.57Å; M96-V101 HydrophobicContact CB-CB 4.29Å; M96-V101 HydrophobicContact CE-CB 3.65Å; M96-V101 HydrophobicContact CE-CG1 3.6Å; M96-V101 HydrophobicContact CE-CG2 3.88Å; M96-V101 PolarHBondContact O-N 3.37Å; M96-V101 VanDerWaalsContact O-O 3.05Å; M96-F104 HydrophobicContact CB-CB 4Å; M96-F104 HydrophobicContact CB-CG 4.31Å; M96-F104 HydrophobicContact CE-CB 4.36Å; M96-F104 HydrophobicContact CE-CD2 3.94Å; M96-F104 HydrophobicContact CE-CG 4.32Å; M96-F104 HydrophobicContact CG-CB 3.96Å; M96-F104 HydrophobicContact CG-CD1 3.95Å; M96-F104 HydrophobicContact CG-CD2 4.09Å; M96-F104 HydrophobicContact CG-CE1 4.46Å; M96-F104 HydrophobicContact CG-CG 3.73Å; M96-F120 HydrophobicContact CE-CB 3.6Å; M96-F120 HydrophobicContact CE-CD1 3.82Å; M96-F120 HydrophobicContact CE-CG 3.79Å; M96-I124 HydrophobicContact SD-CD1 3.9Å; M96-I124 HydrophobicContact SD-CG1 3.94Å
97P96.9Very high95.8Very high56 Ų5657.8 Ų57.836%0.36429%0.288SS..THydrogen-bonded Turntrans-59.3-34.5173-27.836.8000113.3D93 C99 R100 V101D93-P97 WeakPolarHBondContact O-CD 3.21Å; D93-P97 WeakPolarHBondContact O-CG 3.29Å; P97-C99 VanDerWaalsContact C-N 3.29Å; P97-C99 PolarHBondContact O-N 3.32Å; P97-R100 WeakPolarHBondContact O-CA 3.48Å; P97-R100 PolarHBondContact O-N 2.9Å; P97-V101 WeakPolarHBondContact CA-O 3.43Å
98I96.1Very high95.9Very high80 Ų8057.4 Ų57.441%0.4129%0.286SS..THydrogen-bonded Turntrans-66.3-36.4175.2-57.8172.8000110.4Y57 F95 M96 R100 F127Y57-I98 WeakPolarHBondContact OH-CD1 3.4Å; F95-I98 VanDerWaalsContact O-CB 3.32Å; F95-I98 WeakPolarHBondContact O-CB 3.08Å; F95-I98 PolarHBondContact O-N 2.85Å; F95-I98 VanDerWaalsContact O-N 3.09Å; M96-I98 PolarHBondContact O-N 2.8Å; I98-R100 PolarHBondContact O-N 2.91Å; I98-F127 HydrophobicContact CG2-CD2 3.81Å; I98-F127 HydrophobicContact CG2-CE2 3.35Å; I98-F127 HydrophobicContact CG2-CZ 3.89Å
99C96.8Very high95.9Very high3 Ų357.9 Ų57.92%0.0229%0.288CS..THydrogen-bonded Turntrans-74.37.1170.7-58.50000113.9F6 F95 M96 P97 V101 F127F6-C99 WeakPolarHBondContact CE1-O 3.47Å; F95-C99 WeakPolarHBondContact CE2-SG 3.48Å; F95-C99 WeakPolarHBondContact CZ-SG 3.25Å; F95-C99 PolarHBondContact O-N 3.47Å; M96-C99 CarbonylContact O-C 3.59Å; M96-C99 WeakPolarHBondContact O-CA 3.38Å; M96-C99 WeakPolarHBondContact O-CB 3.19Å; M96-C99 PolarHBondContact O-N 2.92Å; P97-C99 VanDerWaalsContact C-N 3.29Å; P97-C99 PolarHBondContact O-N 3.32Å; C99-V101 VanDerWaalsContact C-N 3.3Å; C99-V101 PolarHBondContact O-N 2.88Å; C99-F127 HydrophobicContact CB-CB 4.46Å
100R95.7Very high95.8Very high181 Ų18160.4 Ų60.468%0.68330%0.304SS*.THydrogen-bonded Turntrans62.531.5-176.1-53.1-62.2-170.2122.70.2114F6 M96 P97 I98F6-R100 HydrophobicContact CD1-CB 4.04Å; F6-R100 HydrophobicContact CE1-CB 4.1Å; M96-R100 PolarHBondContact O-N 3.34Å; P97-R100 WeakPolarHBondContact O-CA 3.48Å; P97-R100 PolarHBondContact O-N 2.9Å; I98-R100 PolarHBondContact O-N 2.91Å
101V95.6Very high95.9Very high4 Ų458.1 Ų58.12%0.02430%0.298CS..  trans-117.4113.3172.6176.70000108.9F6 M96 P97 C99 F104 F120F6-V101 HydrophobicContact CE1-CG2 3.87Å; F6-V101 HydrophobicContact CZ-CG2 3.72Å; M96-V101 CarbonylContact C-O 3.57Å; M96-V101 HydrophobicContact CB-CB 4.29Å; M96-V101 HydrophobicContact CE-CB 3.65Å; M96-V101 HydrophobicContact CE-CG1 3.6Å; M96-V101 HydrophobicContact CE-CG2 3.88Å; M96-V101 PolarHBondContact O-N 3.37Å; M96-V101 VanDerWaalsContact O-O 3.05Å; P97-V101 WeakPolarHBondContact CA-O 3.43Å; C99-V101 VanDerWaalsContact C-N 3.3Å; C99-V101 PolarHBondContact O-N 2.88Å; V101-F104 HydrophobicContact CG1-CB 4.21Å; V101-F120 HydrophobicContact CB-CD1 4.38Å; V101-F120 HydrophobicContact CG1-CD1 3.4Å; V101-F120 HydrophobicContact CG1-CE1 3.3Å; V101-F120 HydrophobicContact CG1-CZ 4.4Å; V101-F120 HydrophobicContact CG2-CD1 4.14Å
102N94.9Very high95.9Very high137 Ų13755.4 Ų55.473%0.73329%0.287SS*.  trans-108.1-5.1-175.7-58.3-40.5000113.6
103D95.3Very high95.8Very high63 Ų6362.8 Ų62.834%0.33732%0.315SS..  trans-112.931.2-17670.8-35.5000112.2R116 R119D103-R116 PolarHBondContact O-NH2 2.82Å; D103-R116 IonicContact OD2-NH1 3.93Å; D103-R116 PolarHBondContact OD2-NH1 3.34Å; D103-R119 IonicContact OD1-CZ 3.36Å; D103-R119 VanDerWaalsContact OD1-CZ 3.25Å; D103-R119 IonicContact OD1-NH1 3.15Å; D103-R119 PolarHBondContact OD1-NH1 3.18Å; D103-R119 IonicContact OD1-NH2 3.8Å; D103-R119 PolarHBondContact OD1-NH2 2.82Å; D103-R119 IonicContact OD2-CZ 2.61Å; D103-R119 IonicContact OD2-NH1 3.02Å; D103-R119 PolarHBondContact OD2-NH1 3.01Å; D103-R119 IonicContact OD2-NH2 3.63Å; D103-R119 PolarHBondContact OD2-NH2 3.34Å
104F96.6Very high95.8Very high11 Ų1159.7 Ų59.75%0.04830%0.3CS..  trans-83127174.4-178.6-98000109.6Y49 F89 M92 M96 V101 D108 I109 F120Y49-F104 HydrophobicContact CE2-CE2 4.09Å; Y49-F104 HydrophobicContact CE2-CZ 4.18Å; F89-F104 HydrophobicContact CD2-CD1 4.43Å; F89-F104 AromaticContact CD2-CE1 3.96Å; F89-F104 HydrophobicContact CD2-CE1 3.96Å; F89-F104 HydrophobicContact CE2-CD1 4.2Å; F89-F104 HydrophobicContact CE2-CE1 4.19Å; M92-F104 HydrophobicContact CB-CD1 4.26Å; M92-F104 HydrophobicContact CB-CE1 3.5Å; M92-F104 VanDerWaalsContact CB-CE1 3.5Å; M92-F104 HydrophobicContact CB-CZ 3.96Å; M92-F104 HydrophobicContact CE-CE2 4.27Å; M92-F104 HydrophobicContact CE-CZ 4.02Å; M92-F104 HydrophobicContact CG-CE1 4.36Å; M92-F104 HydrophobicContact CG-CZ 4.35Å; M96-F104 HydrophobicContact CB-CB 4Å; M96-F104 HydrophobicContact CB-CG 4.31Å; M96-F104 HydrophobicContact CE-CB 4.36Å; M96-F104 HydrophobicContact CE-CD2 3.94Å; M96-F104 HydrophobicContact CE-CG 4.32Å; M96-F104 HydrophobicContact CG-CB 3.96Å; M96-F104 HydrophobicContact CG-CD1 3.95Å; M96-F104 HydrophobicContact CG-CD2 4.09Å; M96-F104 HydrophobicContact CG-CE1 4.46Å; M96-F104 HydrophobicContact CG-CG 3.73Å; V101-F104 HydrophobicContact CG1-CB 4.21Å; F104-D108 HydrophobicContact CD2-CB 4.13Å; F104-D108 HydrophobicContact CE2-CB 3.95Å; F104-I109 HydrophobicContact CE1-CD1 4.1Å; F104-I109 HydrophobicContact CE1-CG1 4.25Å; F104-I109 HydrophobicContact CE2-CG1 4.49Å; F104-I109 HydrophobicContact CZ-CD1 3.87Å; F104-I109 HydrophobicContact CZ-CG1 3.62Å; F104-F120 AromaticContact CD2-CD2 3.82Å; F104-F120 HydrophobicContact CD2-CD2 3.82Å; F104-F120 AromaticContact CD2-CE2 3.78Å; F104-F120 HydrophobicContact CD2-CE2 3.78Å; F104-F120 HydrophobicContact CD2-CG 4.29Å; F104-F120 HydrophobicContact CD2-CZ 4.15Å; F104-F120 HydrophobicContact CE2-CD2 4.2Å; F104-F120 HydrophobicContact CE2-CE2 4.39Å
105E96.6Very high95.7Very high116 Ų11663.1 Ų63.154%0.54231%0.312SS..  trans-128.5164.2-176.7-68.4-178.7172.600111.1V107 D108E105-V107 HydrophobicContact CB-CG1 4Å; E105-V107 PolarHBondContact O-N 3.34Å; E105-V107 VanDerWaalsContact O-N 3.13Å; E105-D108 PolarHBondContact N-OD2 2.83Å; E105-D108 VanDerWaalsContact O-CB 3.28Å; E105-D108 WeakPolarHBondContact O-CB 3.39Å; E105-D108 PolarHBondContact O-N 3.33Å
106I94.8Very high95.6Very high80 Ų8066.2 Ų66.241%0.4132%0.324SS..THydrogen-bonded Turntrans-59-29.1179.3-165.4169.1000113F89 D108 I109 L110F89-I106 HydrophobicContact CD2-CB 4.01Å; F89-I106 HydrophobicContact CD2-CG1 4.37Å; F89-I106 HydrophobicContact CE2-CB 4.11Å; F89-I106 VanDerWaalsContact CE2-N 3.34Å; F89-I106 HydrophobicContact CG-CB 4.3Å; F89-I106 HydrophobicContact CG-CG1 4.31Å; F89-I106 HydrophobicContact CZ-CB 4.47Å; I106-D108 PolarHBondContact O-N 3.49Å; I106-I109 PolarHBondContact O-N 3.28Å; I106-I109 VanDerWaalsContact O-N 3.11Å; I106-L110 HydrophobicContact CG1-CD1 4.1Å; I106-L110 HydrophobicContact CG1-CG 4.39Å; I106-L110 PolarHBondContact O-N 3.44Å; I106-L110 VanDerWaalsContact O-N 3.11Å
107V95.2Very high95.5Very high60 Ų6066.2 Ų66.236%0.36432%0.324SS..Hα-helixtrans-63.2-25.1175.668.90000112.3E105 I109 L110 N111E105-V107 HydrophobicContact CB-CG1 4Å; E105-V107 PolarHBondContact O-N 3.34Å; E105-V107 VanDerWaalsContact O-N 3.13Å; V107-I109 PolarHBondContact O-N 2.83Å; V107-L110 PolarHBondContact O-N 3.21Å; V107-N111 HydrophobicContact CG2-CB 4.21Å; V107-N111 CarbonylContact O-C 3.47Å; V107-N111 VanDerWaalsContact O-C 3.3Å; V107-N111 WeakPolarHBondContact O-CA 3.46Å; V107-N111 PolarHBondContact O-N 3.15Å
108D95.5Very high95.5Very high3 Ų364.7 Ų64.72%0.01631%0.314CS..Hα-helixtrans-73.6-18.1177.9-62.7-55.4000112.9F104 E105 I106 R116 F120F104-D108 HydrophobicContact CD2-CB 4.13Å; F104-D108 HydrophobicContact CE2-CB 3.95Å; E105-D108 PolarHBondContact N-OD2 2.83Å; E105-D108 VanDerWaalsContact O-CB 3.28Å; E105-D108 WeakPolarHBondContact O-CB 3.39Å; E105-D108 PolarHBondContact O-N 3.33Å; I106-D108 PolarHBondContact O-N 3.49Å; D108-R116 IonicContact OD1-CZ 2.65Å; D108-R116 IonicContact OD1-NE 2.73Å; D108-R116 PolarHBondContact OD1-NE 3.41Å; D108-R116 IonicContact OD1-NH2 2.84Å; D108-R116 PolarHBondContact OD1-NH2 3.1Å; D108-R116 IonicContact OD2-CZ 3.99Å; D108-R116 IonicContact OD2-NE 2.85Å; D108-R116 IonicContact OD2-NH2 3.56Å; D108-R116 PolarHBondContact OD2-NH2 2.97Å; D108-F120 HydrophobicContact CB-CD2 4.46Å; D108-F120 HydrophobicContact CB-CE2 3.77Å; D108-F120 VanDerWaalsContact CG-CE2 3.43Å; D108-F120 WeakPolarHBondContact OD2-CE2 3.49Å
109I94.7Very high95.5Very high10 Ų1063.2 Ų63.25%0.05130%0.304CS..Hα-helixtrans-89.4-44.9171-57.7-179.6000110.1V85 L88 F89 F104 I106 V107V85-I109 HydrophobicContact CG1-CG2 4.21Å; L88-I109 HydrophobicContact CD2-CD1 4.21Å; L88-I109 HydrophobicContact CD2-CG2 4.25Å; L88-I109 HydrophobicContact CG-CD1 4.22Å; F89-I109 HydrophobicContact CB-CD1 3.84Å; F89-I109 HydrophobicContact CD2-CD1 4.11Å; F89-I109 HydrophobicContact CG-CD1 4.49Å; F104-I109 HydrophobicContact CE1-CD1 4.1Å; F104-I109 HydrophobicContact CE1-CG1 4.25Å; F104-I109 HydrophobicContact CE2-CG1 4.49Å; F104-I109 HydrophobicContact CZ-CD1 3.87Å; F104-I109 HydrophobicContact CZ-CG1 3.62Å; I106-I109 PolarHBondContact O-N 3.28Å; I106-I109 VanDerWaalsContact O-N 3.11Å; V107-I109 PolarHBondContact O-N 2.83Å
110L93.4Very high95.5Very high104 Ų10463.1 Ų63.155%0.54530%0.303SS..Hα-helixtrans-76.3-37.6-173.9-67.1175.9000113.4V85 I106 V107V85-L110 HydrophobicContact CG1-CD2 3.9Å; I106-L110 HydrophobicContact CG1-CD1 4.1Å; I106-L110 HydrophobicContact CG1-CG 4.39Å; I106-L110 PolarHBondContact O-N 3.44Å; I106-L110 VanDerWaalsContact O-N 3.11Å; V107-L110 PolarHBondContact O-N 3.21Å
111N95Very high95.6Very high91 Ų9154.5 Ų54.549%0.48727%0.271SS..SBendtrans-138.368.3-177.4-172.419.8000110.5V107 R113V107-N111 HydrophobicContact CG2-CB 4.21Å; V107-N111 CarbonylContact O-C 3.47Å; V107-N111 VanDerWaalsContact O-C 3.3Å; V107-N111 WeakPolarHBondContact O-CA 3.46Å; V107-N111 PolarHBondContact O-N 3.15Å; N111-R113 PolarHBondContact O-N 3.05Å
112P95.4Very high95.7Very high4 Ų454.4 Ų54.43%0.02627%0.27CS..  trans-63.1134.4-174.126.6-35.9000111.8P40 L45P40-P112 HydrophobicContact CB-CB 4.13Å; P40-P112 HydrophobicContact CB-CG 4.22Å; P40-P112 HydrophobicContact CG-CB 4.22Å; P40-P112 VanDerWaalsContact O-CG 3.29Å; P40-P112 WeakPolarHBondContact O-CG 3.39Å; L45-P112 HydrophobicContact CD2-CB 3.63Å; L45-P112 HydrophobicContact CD2-CG 4.27Å
113R96.2Very high95.8Very high155 Ų15547.9 Ų47.959%0.58524%0.235SC*.  trans-107.4137.3172.9-61.2-174.8-174.4-178.32.5110N111 N115 R116 T117N111-R113 PolarHBondContact O-N 3.05Å; R113-N115 PolarHBondContact O-N 3.33Å; R113-R116 PolarHBondContact O-N 2.68Å; R113-T117 WeakPolarHBondContact O-CB 3.24Å; R113-T117 PolarHBondContact O-N 3.2Å; R113-T117 PolarHBondContact O-OG1 3.17Å
114T95.3Very high96Very high22 Ų2244.9 Ų44.914%0.13522%0.219CC..Hα-helixtrans-51.8-51.4-174.7-61.10000113.4V11 F36 L37 P38 R116 T117 S118V11-T114 HydrophobicContact CG2-CG2 4.38Å; F36-T114 PolarHBondContact O-OG1 2.94Å; F36-T114 VanDerWaalsContact O-OG1 3.09Å; L37-T114 HydrophobicContact CD2-CG2 3.54Å; P38-T114 PolarHBondContact O-OG1 2.9Å; T114-R116 PolarHBondContact O-N 2.77Å; T114-T117 PolarHBondContact O-N 2.82Å; T114-S118 VanDerWaalsContact O-CB 3.25Å; T114-S118 WeakPolarHBondContact O-CB 3.28Å; T114-S118 PolarHBondContact O-N 3.43Å
115N94.2Very high96Very high144 Ų14444.5 Ų44.577%0.7722%0.217SC*.Hα-helixtrans-63.2-41.5-176.8-67.5-13.4000112.7R113 R119R113-N115 PolarHBondContact O-N 3.33Å; N115-R119 PolarHBondContact O-N 3.29Å
116R95.1Very high96Very high66 Ų6641.5 Ų41.525%0.24921%0.205CC..Hα-helixtrans-69.8-47.1178.8-70.8179.961.581.1-3.6110.9D103 D108 R113 T114 S118 R119 F120D103-R116 PolarHBondContact O-NH2 2.82Å; D103-R116 IonicContact OD2-NH1 3.93Å; D103-R116 PolarHBondContact OD2-NH1 3.34Å; D108-R116 IonicContact OD1-CZ 2.65Å; D108-R116 IonicContact OD1-NE 2.73Å; D108-R116 PolarHBondContact OD1-NE 3.41Å; D108-R116 IonicContact OD1-NH2 2.84Å; D108-R116 PolarHBondContact OD1-NH2 3.1Å; D108-R116 IonicContact OD2-CZ 3.99Å; D108-R116 IonicContact OD2-NE 2.85Å; D108-R116 IonicContact OD2-NH2 3.56Å; D108-R116 PolarHBondContact OD2-NH2 2.97Å; R113-R116 PolarHBondContact O-N 2.68Å; T114-R116 PolarHBondContact O-N 2.77Å; R116-S118 VanDerWaalsContact C-N 3.33Å; R116-S118 PolarHBondContact O-N 3.35Å; R116-R119 WeakPolarHBondContact O-CB 3.33Å; R116-R119 PolarHBondContact O-N 3.21Å; R116-R119 VanDerWaalsContact O-N 3.15Å; R116-F120 HydrophobicContact CB-CE2 3.96Å; R116-F120 HydrophobicContact CB-CZ 4.28Å; R116-F120 VanDerWaalsContact O-CD2 3.27Å; R116-F120 WeakPolarHBondContact O-CD2 3.49Å; R116-F120 WeakPolarHBondContact O-CG 3.42Å; R116-F120 PolarHBondContact O-N 3.49Å
117T96.5Very high96.1Very high1 Ų139.3 Ų39.31%0.00619%0.193CC..Hα-helixtrans-59.8-43.6178.1-54.60000111.4P40 L45 R113 T114 R119 F120 L121P40-T117 HydrophobicContact CB-CG2 4.29Å; P40-T117 HydrophobicContact CG-CG2 3.87Å; L45-T117 HydrophobicContact CD1-CG2 3.59Å; L45-T117 HydrophobicContact CD2-CG2 3.89Å; L45-T117 HydrophobicContact CG-CG2 4.38Å; R113-T117 WeakPolarHBondContact O-CB 3.24Å; R113-T117 PolarHBondContact O-N 3.2Å; R113-T117 PolarHBondContact O-OG1 3.17Å; T114-T117 PolarHBondContact O-N 2.82Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 3.4Å; T117-F120 PolarHBondContact O-N 2.62Å; T117-F120 VanDerWaalsContact O-N 3.16Å; T117-L121 HydrophobicContact CG2-CD1 3.73Å; T117-L121 HydrophobicContact CG2-CG 4.18Å; T117-L121 WeakPolarHBondContact O-CB 3.5Å; T117-L121 WeakPolarHBondContact O-CG 3.37Å; T117-L121 PolarHBondContact O-N 3.49Å
118S96.6Very high96.2Very high23 Ų2336.5 Ų36.516%0.16118%0.175CC..Hα-helixtrans-59.3-42.4177.1-161.30000111.7Y9 L14 T114 R116 S122Y9-S118 PolarHBondContact O-OG 3.4Å; L14-S118 VanDerWaalsContact CD1-OG 3.31Å; L14-S118 WeakPolarHBondContact CD1-OG 3.45Å; T114-S118 VanDerWaalsContact O-CB 3.25Å; T114-S118 WeakPolarHBondContact O-CB 3.28Å; T114-S118 PolarHBondContact O-N 3.43Å; R116-S118 VanDerWaalsContact C-N 3.33Å; R116-S118 PolarHBondContact O-N 3.35Å; S118-S122 WeakPolarHBondContact O-CB 3.36Å; S118-S122 PolarHBondContact O-N 2.93Å; S118-S122 PolarHBondContact O-OG 2.82Å
119R96.2Very high96.2Very high50 Ų5039 Ų3919%0.18919%0.187CC..Hα-helixtrans-61.8-48173.6173177.267.2167.60.3111.7F6 R8 D103 N115 R116 T117 S122 G123F6-R119 HydrophobicContact CE2-CG 4.13Å; F6-R119 WeakPolarHBondContact CE2-O 3.44Å; F6-R119 HydrophobicContact CZ-CG 4.02Å; R8-R119 VanDerWaalsContact CZ-CD 3.49Å; R8-R119 VanDerWaalsContact NH1-CB 3.29Å; R8-R119 VanDerWaalsContact NH1-CD 3.32Å; D103-R119 IonicContact OD1-CZ 3.36Å; D103-R119 VanDerWaalsContact OD1-CZ 3.25Å; D103-R119 IonicContact OD1-NH1 3.15Å; D103-R119 PolarHBondContact OD1-NH1 3.18Å; D103-R119 IonicContact OD1-NH2 3.8Å; D103-R119 PolarHBondContact OD1-NH2 2.82Å; D103-R119 IonicContact OD2-CZ 2.61Å; D103-R119 IonicContact OD2-NH1 3.02Å; D103-R119 PolarHBondContact OD2-NH1 3.01Å; D103-R119 IonicContact OD2-NH2 3.63Å; D103-R119 PolarHBondContact OD2-NH2 3.34Å; N115-R119 PolarHBondContact O-N 3.29Å; R116-R119 WeakPolarHBondContact O-CB 3.33Å; R116-R119 PolarHBondContact O-N 3.21Å; R116-R119 VanDerWaalsContact O-N 3.15Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 3.4Å; R119-S122 WeakPolarHBondContact O-CB 3.46Å; R119-S122 PolarHBondContact O-N 3.44Å; R119-G123 PolarHBondContact O-N 3.3Å
120F97.2Very high96.2Very high0 Ų044.6 Ų44.60%021%0.211CC..Hα-helixtrans-64.1-47.2-176.5-61.3-26.4000112.2M96 V101 F104 D108 R116 T117 S122 G123 I124M96-F120 HydrophobicContact CE-CB 3.6Å; M96-F120 HydrophobicContact CE-CD1 3.82Å; M96-F120 HydrophobicContact CE-CG 3.79Å; V101-F120 HydrophobicContact CB-CD1 4.38Å; V101-F120 HydrophobicContact CG1-CD1 3.4Å; V101-F120 HydrophobicContact CG1-CE1 3.3Å; V101-F120 HydrophobicContact CG1-CZ 4.4Å; V101-F120 HydrophobicContact CG2-CD1 4.14Å; F104-F120 AromaticContact CD2-CD2 3.82Å; F104-F120 HydrophobicContact CD2-CD2 3.82Å; F104-F120 AromaticContact CD2-CE2 3.78Å; F104-F120 HydrophobicContact CD2-CE2 3.78Å; F104-F120 HydrophobicContact CD2-CG 4.29Å; F104-F120 HydrophobicContact CD2-CZ 4.15Å; F104-F120 HydrophobicContact CE2-CD2 4.2Å; F104-F120 HydrophobicContact CE2-CE2 4.39Å; D108-F120 HydrophobicContact CB-CD2 4.46Å; D108-F120 HydrophobicContact CB-CE2 3.77Å; D108-F120 VanDerWaalsContact CG-CE2 3.43Å; D108-F120 WeakPolarHBondContact OD2-CE2 3.49Å; R116-F120 HydrophobicContact CB-CE2 3.96Å; R116-F120 HydrophobicContact CB-CZ 4.28Å; R116-F120 VanDerWaalsContact O-CD2 3.27Å; R116-F120 WeakPolarHBondContact O-CD2 3.49Å; R116-F120 WeakPolarHBondContact O-CG 3.42Å; R116-F120 PolarHBondContact O-N 3.49Å; T117-F120 PolarHBondContact O-N 2.62Å; T117-F120 VanDerWaalsContact O-N 3.16Å; F120-S122 PolarHBondContact O-N 2.96Å; F120-G123 PolarHBondContact O-N 3.01Å; F120-G123 VanDerWaalsContact O-N 3.13Å; F120-I124 WeakPolarHBondContact O-CG1 3.39Å; F120-I124 PolarHBondContact O-N 3.35Å
121L97.7Very high96.4Very high1 Ų142.8 Ų42.81%0.00520%0.197CC..Hα-helixtrans-61.6-35.7175.2-66.2173.2000111.2L14 I18 F36 L45 I48 Y49 T117 I124 I125L14-L121 HydrophobicContact CD1-CB 4.21Å; L14-L121 HydrophobicContact CD1-CD1 4.31Å; L14-L121 HydrophobicContact CD2-CB 3.77Å; I18-L121 HydrophobicContact CD1-CD1 4.05Å; I18-L121 HydrophobicContact CD1-CD2 4.44Å; F36-L121 HydrophobicContact CD1-CD1 4.29Å; F36-L121 HydrophobicContact CE1-CD1 3.56Å; F36-L121 HydrophobicContact CZ-CD1 4.38Å; L45-L121 HydrophobicContact CD1-CD1 4.27Å; L45-L121 HydrophobicContact CD1-CD2 4.16Å; L45-L121 HydrophobicContact CD1-CG 4.45Å; I48-L121 HydrophobicContact CG2-CD2 3.61Å; Y49-L121 HydrophobicContact CD1-CD2 4.4Å; Y49-L121 HydrophobicContact CE1-CD2 3.85Å; T117-L121 HydrophobicContact CG2-CD1 3.73Å; T117-L121 HydrophobicContact CG2-CG 4.18Å; T117-L121 WeakPolarHBondContact O-CB 3.5Å; T117-L121 WeakPolarHBondContact O-CG 3.37Å; T117-L121 PolarHBondContact O-N 3.49Å; L121-I124 HydrophobicContact CD2-CD1 4.42Å; L121-I124 PolarHBondContact O-N 3.21Å; L121-I125 WeakPolarHBondContact O-CB 3.32Å; L121-I125 VanDerWaalsContact O-CD1 3.31Å; L121-I125 WeakPolarHBondContact O-CD1 3.36Å; L121-I125 WeakPolarHBondContact O-CG1 3.2Å; L121-I125 PolarHBondContact O-N 3.41Å
122S97.6Very high96.3Very high1 Ų140.8 Ų40.81%0.00719%0.185CC..Hα-helixtrans-63.3-41.8174.2-56.20000113.1P7 Y9 S118 R119 F120 N126P7-S122 VanDerWaalsContact O-CB 3.27Å; P7-S122 WeakPolarHBondContact O-CB 3.29Å; Y9-S122 PolarHBondContact N-OG 2.94Å; S118-S122 WeakPolarHBondContact O-CB 3.36Å; S118-S122 PolarHBondContact O-N 2.93Å; S118-S122 PolarHBondContact O-OG 2.82Å; R119-S122 WeakPolarHBondContact O-CB 3.46Å; R119-S122 PolarHBondContact O-N 3.44Å; F120-S122 PolarHBondContact O-N 2.96Å; S122-N126 VanDerWaalsContact O-CB 3.31Å; S122-N126 WeakPolarHBondContact O-CB 3.33Å; S122-N126 PolarHBondContact O-N 2.85Å
123G97.1Very high96.3Very high0 Ų043.7 Ų43.70%020%0.203CC..Hα-helixtrans-62.7-44.9174.500000112.4R119 F120 N126 F127R119-G123 PolarHBondContact O-N 3.3Å; F120-G123 PolarHBondContact O-N 3.01Å; F120-G123 VanDerWaalsContact O-N 3.13Å; G123-N126 PolarHBondContact O-N 3.28Å; G123-F127 PolarHBondContact O-N 3.49Å
124I97.9Very high96.3Very high0 Ų038.6 Ų38.60%019%0.19CC..Hα-helixtrans-61.4-48.8177.2-66.8166.8000110.8Y49 A52 M92 F95 M96 F120 L121 N126 F127 I128Y49-I124 HydrophobicContact CD1-CD1 3.8Å; Y49-I124 HydrophobicContact CE1-CD1 3.61Å; A52-I124 HydrophobicContact CB-CG2 3.91Å; M92-I124 HydrophobicContact CE-CD1 4.04Å; F95-I124 HydrophobicContact CE1-CG1 3.99Å; F95-I124 HydrophobicContact CE1-CG2 4.12Å; F95-I124 HydrophobicContact CZ-CG2 4.36Å; M96-I124 HydrophobicContact SD-CD1 3.9Å; M96-I124 HydrophobicContact SD-CG1 3.94Å; F120-I124 WeakPolarHBondContact O-CG1 3.39Å; F120-I124 PolarHBondContact O-N 3.35Å; L121-I124 HydrophobicContact CD2-CD1 4.42Å; L121-I124 PolarHBondContact O-N 3.21Å; I124-N126 VanDerWaalsContact C-N 3.33Å; I124-N126 PolarHBondContact O-N 2.84Å; I124-F127 PolarHBondContact O-N 2.97Å; I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.47Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.44Å; I124-I128 PolarHBondContact O-N 3.49Å
125I97.4Very high96.3Very high3 Ų340.9 Ų40.92%0.01520%0.201CC..Hα-helixtrans-61.2-43.9178.8-71.8160.7000110.5Y9 L14 H17 I18 L121 F127 I128 H129Y9-I125 HydrophobicContact CD2-CD1 4.43Å; Y9-I125 HydrophobicContact CD2-CG2 4.34Å; Y9-I125 HydrophobicContact CE2-CB 4.14Å; Y9-I125 HydrophobicContact CE2-CG2 3.7Å; L14-I125 HydrophobicContact CD2-CD1 3.37Å; H17-I125 HydrophobicContact CB-CD1 3.66Å; H17-I125 HydrophobicContact CB-CG1 4.08Å; H17-I125 HydrophobicContact CB-CG2 3.85Å; I18-I125 HydrophobicContact CG1-CD1 4.23Å; L121-I125 WeakPolarHBondContact O-CB 3.32Å; L121-I125 VanDerWaalsContact O-CD1 3.31Å; L121-I125 WeakPolarHBondContact O-CD1 3.36Å; L121-I125 WeakPolarHBondContact O-CG1 3.2Å; L121-I125 PolarHBondContact O-N 3.41Å; I125-F127 VanDerWaalsContact C-N 3.34Å; I125-F127 PolarHBondContact O-N 3.3Å; I125-I128 PolarHBondContact O-N 3.4Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.48Å; I125-H129 WeakPolarHBondContact CG2-ND1 3.38Å; I125-H129 PolarHBondContact O-N 2.94Å; I125-H129 PolarHBondContact O-ND1 3.42Å
126N96.8Very high96.4Very high54 Ų5440.1 Ų40.129%0.28919%0.193SC..Hα-helixtrans-60.6-43.4176.8-179.677.2000111.7F6 P7 S122 G123 I124 H129 F130F6-N126 HydrophobicContact CB-CB 3.84Å; P7-N126 VanDerWaalsContact CD-OD1 3.27Å; P7-N126 WeakPolarHBondContact CD-OD1 3.49Å; S122-N126 VanDerWaalsContact O-CB 3.31Å; S122-N126 WeakPolarHBondContact O-CB 3.33Å; S122-N126 PolarHBondContact O-N 2.85Å; G123-N126 PolarHBondContact O-N 3.28Å; I124-N126 VanDerWaalsContact C-N 3.33Å; I124-N126 PolarHBondContact O-N 2.84Å; N126-H129 PolarHBondContact O-N 2.95Å; N126-F130 PolarHBondContact O-N 2.9Å
127F97.3Very high96.3Very high33 Ų3342.8 Ų42.815%0.14521%0.207CC..Hα-helixtrans-63.1-41.2175.5176-96.5000112.4V56 F95 I98 C99 G123 I124 I125 H129 F130 R131V56-F127 HydrophobicContact CB-CE1 4.42Å; V56-F127 HydrophobicContact CG1-CE1 3.63Å; V56-F127 HydrophobicContact CG1-CZ 4.24Å; V56-F127 HydrophobicContact CG2-CD1 4.21Å; V56-F127 HydrophobicContact CG2-CE1 3.82Å; F95-F127 AromaticContact CE2-CD1 3.58Å; F95-F127 HydrophobicContact CE2-CD1 3.58Å; F95-F127 AromaticContact CE2-CE1 3.67Å; F95-F127 HydrophobicContact CE2-CE1 3.67Å; F95-F127 HydrophobicContact CE2-CG 4.33Å; F95-F127 HydrophobicContact CE2-CZ 4.47Å; F95-F127 AromaticContact CZ-CD1 3.84Å; F95-F127 HydrophobicContact CZ-CD1 3.84Å; F95-F127 HydrophobicContact CZ-CE1 4.27Å; I98-F127 HydrophobicContact CG2-CD2 3.81Å; I98-F127 HydrophobicContact CG2-CE2 3.35Å; I98-F127 HydrophobicContact CG2-CZ 3.89Å; C99-F127 HydrophobicContact CB-CB 4.46Å; G123-F127 PolarHBondContact O-N 3.49Å; I124-F127 PolarHBondContact O-N 2.97Å; I125-F127 VanDerWaalsContact C-N 3.34Å; I125-F127 PolarHBondContact O-N 3.3Å; F127-H129 PolarHBondContact O-N 2.88Å; F127-F130 HydrophobicContact CD2-CD1 4.48Å; F127-F130 HydrophobicContact CE2-CD1 4.48Å; F127-F130 WeakPolarHBondContact O-CB 3.36Å; F127-F130 PolarHBondContact O-N 3.26Å; F127-R131 HydrophobicContact CE1-CB 4.36Å; F127-R131 WeakPolarHBondContact O-CB 3.48Å; F127-R131 PolarHBondContact O-N 2.96Å
128I96.9Very high96.3Very high1 Ų146 Ų461%0.00523%0.228CC..Hα-helixtrans-61.4-46177.5-70164.5000110.7K21 L22 L55 I124 I125 F130 R131 E132K21-I128 HydrophobicContact CB-CG2 4.34Å; L22-I128 HydrophobicContact CD1-CD1 4.19Å; L22-I128 HydrophobicContact CD2-CD1 3.56Å; L22-I128 HydrophobicContact CG-CD1 4Å; L55-I128 HydrophobicContact CD2-CD1 4.11Å; L55-I128 HydrophobicContact CD2-CG1 4.16Å; L55-I128 HydrophobicContact CD2-CG2 4.01Å; I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.47Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.44Å; I124-I128 PolarHBondContact O-N 3.49Å; I125-I128 PolarHBondContact O-N 3.4Å; I128-F130 VanDerWaalsContact C-N 3.34Å; I128-F130 PolarHBondContact O-N 3.5Å; I128-R131 PolarHBondContact O-N 3.43Å; I128-E132 HydrophobicContact CG2-CG 4.4Å; I128-E132 WeakPolarHBondContact O-CG 3.42Å; I128-E132 PolarHBondContact O-N 2.89Å
129H95.7Very high96.3Very high55 Ų5551 Ų5126%0.25525%0.249SC..Hα-helixtrans-59.5-45.5175.4-72.398.5000111.6H17 I125 N126 F127 R131 E132 T133H17-H129 AromaticContact CE1-CE1 3.78Å; H17-H129 AromaticContact CE1-NE2 3.99Å; H17-H129 AromaticContact ND1-CE1 3.49Å; H17-H129 PolarHBondContact ND1-CE1 3.01Å; H17-H129 AromaticContact ND1-NE2 3.79Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.48Å; I125-H129 WeakPolarHBondContact CG2-ND1 3.38Å; I125-H129 PolarHBondContact O-N 2.94Å; I125-H129 PolarHBondContact O-ND1 3.42Å; N126-H129 PolarHBondContact O-N 2.95Å; F127-H129 PolarHBondContact O-N 2.88Å; H129-R131 VanDerWaalsContact C-N 3.34Å; H129-R131 PolarHBondContact O-N 3.43Å; H129-E132 PolarHBondContact O-N 3.39Å; H129-T133 PolarHBondContact O-N 3.36Å; H129-T133 PolarHBondContact O-OG1 3.47Å; H129-T133 VanDerWaalsContact O-OG1 3.13Å
130F95.5Very high96.3Very high129 Ų12954.8 Ų54.857%0.56627%0.269SS*.Hα-helixtrans-58-46.8176.1171.2-103.5000111.8N126 F127 I128 E132 T133 C134N126-F130 PolarHBondContact O-N 2.9Å; F127-F130 HydrophobicContact CD2-CD1 4.48Å; F127-F130 HydrophobicContact CE2-CD1 4.48Å; F127-F130 WeakPolarHBondContact O-CB 3.36Å; F127-F130 PolarHBondContact O-N 3.26Å; I128-F130 VanDerWaalsContact C-N 3.34Å; I128-F130 PolarHBondContact O-N 3.5Å; F130-E132 PolarHBondContact O-N 3.4Å; F130-T133 PolarHBondContact O-N 3.31Å; F130-C134 VanDerWaalsContact CZ-SG 3.53Å; F130-C134 WeakPolarHBondContact O-CB 3.46Å; F130-C134 PolarHBondContact O-N 2.88Å; F130-C134 PolarHBondContact O-SG 2.93Å
131R95.6Very high96.2Very high66 Ų6661 Ų6125%0.24930%0.296CS..Hα-helixtrans-60.5-45.6177.8177-179.2170.6-87.13.8111.6L55 F127 I128 H129 C134 L135L55-R131 PolarHBondContact O-NH2 3.47Å; F127-R131 HydrophobicContact CE1-CB 4.36Å; F127-R131 WeakPolarHBondContact O-CB 3.48Å; F127-R131 PolarHBondContact O-N 2.96Å; I128-R131 PolarHBondContact O-N 3.43Å; H129-R131 VanDerWaalsContact C-N 3.34Å; H129-R131 PolarHBondContact O-N 3.43Å; R131-C134 PolarHBondContact O-N 3.44Å; R131-L135 HydrophobicContact CG-CD1 4Å; R131-L135 HydrophobicContact CG-CG 4.39Å; R131-L135 WeakPolarHBondContact O-CB 3.46Å; R131-L135 WeakPolarHBondContact O-CG 3.31Å; R131-L135 PolarHBondContact O-N 3.12Å
132E94.9Very high96.1Very high48 Ų4866.5 Ų66.522%0.22433%0.325CS..Hα-helixtrans-60.4-48.5177.6-73.1174.4151.800111.3K21 I128 H129 F130 C134 L135 E136K21-E132 WeakPolarHBondContact CD-OE1 3.27Å; K21-E132 WeakPolarHBondContact CE-OE2 3.27Å; K21-E132 IonicContact NZ-OE1 2.73Å; K21-E132 PolarHBondContact NZ-OE1 3.32Å; K21-E132 IonicContact NZ-OE2 3.68Å; K21-E132 PolarHBondContact NZ-OE2 3.06Å; I128-E132 HydrophobicContact CG2-CG 4.4Å; I128-E132 WeakPolarHBondContact O-CG 3.42Å; I128-E132 PolarHBondContact O-N 2.89Å; H129-E132 PolarHBondContact O-N 3.39Å; F130-E132 PolarHBondContact O-N 3.4Å; E132-C134 VanDerWaalsContact C-N 3.27Å; E132-C134 PolarHBondContact O-N 3.02Å; E132-L135 PolarHBondContact O-N 2.93Å; E132-L135 VanDerWaalsContact O-N 3.11Å; E132-E136 WeakPolarHBondContact O-CG 3.35Å; E132-E136 PolarHBondContact O-N 2.91Å
133T95.4Very high96.1Very high65 Ų6572.3 Ų72.340%0.39936%0.355SS..Hα-helixtrans-61-36.4176.5-58.40000112.5H129 F130 K137H129-T133 PolarHBondContact O-N 3.36Å; H129-T133 PolarHBondContact O-OG1 3.47Å; H129-T133 VanDerWaalsContact O-OG1 3.13Å; F130-T133 PolarHBondContact O-N 3.31Å; T133-K137 WeakPolarHBondContact O-CG 3.48Å; T133-K137 PolarHBondContact O-N 3.06Å
134C95.6Very high96.2Very high48 Ų4877.6 Ų77.632%0.32438%0.38SS..Hα-helixtrans-68.1-42.5173.8-76.40000112F130 R131 E132 K137 C138F130-C134 VanDerWaalsContact CZ-SG 3.53Å; F130-C134 WeakPolarHBondContact O-CB 3.46Å; F130-C134 PolarHBondContact O-N 2.88Å; F130-C134 PolarHBondContact O-SG 2.93Å; R131-C134 PolarHBondContact O-N 3.44Å; E132-C134 VanDerWaalsContact C-N 3.27Å; E132-C134 PolarHBondContact O-N 3.02Å; C134-K137 PolarHBondContact O-N 3.32Å; C134-C138 WeakPolarHBondContact O-CB 3.42Å; C134-C138 PolarHBondContact O-N 2.91Å; C134-C138 PolarHBondContact O-SG 2.92Å
135L95.3Very high96.1Very high71 Ų7182 Ų8237%0.37240%0.403SS..Hα-helixtrans-63.6-44.7178.7-76.7172.4000111.8R131 E132 K137 C138 E139R131-L135 HydrophobicContact CG-CD1 4Å; R131-L135 HydrophobicContact CG-CG 4.39Å; R131-L135 WeakPolarHBondContact O-CB 3.46Å; R131-L135 WeakPolarHBondContact O-CG 3.31Å; R131-L135 PolarHBondContact O-N 3.12Å; E132-L135 PolarHBondContact O-N 2.93Å; E132-L135 VanDerWaalsContact O-N 3.11Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-K137 PolarHBondContact O-N 2.97Å; L135-C138 CarbonylContact O-C 3.01Å; L135-C138 WeakPolarHBondContact O-CB 3.48Å; L135-C138 PolarHBondContact O-N 3.3Å; L135-C138 VanDerWaalsContact O-N 3.1Å; L135-E139 WeakPolarHBondContact O-CB 3.44Å; L135-E139 WeakPolarHBondContact O-CG 3.43Å; L135-E139 PolarHBondContact O-N 3.18Å
136E95.6Very high96.2Very high127 Ų12788.5 Ų88.559%0.59343%0.432SS*.Hα-helixtrans-55.5-46.3176.2-73.4170.5-177.600111.5E132 E139 E140E132-E136 WeakPolarHBondContact O-CG 3.35Å; E132-E136 PolarHBondContact O-N 2.91Å; E136-E139 PolarHBondContact O-N 2.92Å; E136-E140 PolarHBondContact O-N 3.36Å; E136-E140 VanDerWaalsContact O-N 3.1Å
137K94.3Very high96.2Very high123 Ų12389.2 Ų89.254%0.53544%0.441SS..Hα-helixtrans-64.5-41.9175.9-69.6176.2-177.8-179.30112.1T133 C134 L135 E139 E140 F141T133-K137 WeakPolarHBondContact O-CG 3.48Å; T133-K137 PolarHBondContact O-N 3.06Å; C134-K137 PolarHBondContact O-N 3.32Å; L135-K137 VanDerWaalsContact C-N 3.31Å; L135-K137 PolarHBondContact O-N 2.97Å; K137-E139 VanDerWaalsContact C-N 3.35Å; K137-E140 PolarHBondContact O-N 2.69Å; K137-F141 WeakPolarHBondContact O-CD2 3.34Å; K137-F141 PolarHBondContact O-N 3.46Å
138C96Very high96.2Very high68 Ų6890.6 Ų90.646%0.45946%0.455SS..Hα-helixtrans-63.9-40.2176.7-740000112C134 L135 E140 F141 L142C134-C138 WeakPolarHBondContact O-CB 3.42Å; C134-C138 PolarHBondContact O-N 2.91Å; C134-C138 PolarHBondContact O-SG 2.92Å; L135-C138 CarbonylContact O-C 3.01Å; L135-C138 WeakPolarHBondContact O-CB 3.48Å; L135-C138 PolarHBondContact O-N 3.3Å; L135-C138 VanDerWaalsContact O-N 3.1Å; C138-E140 VanDerWaalsContact C-N 3.35Å; C138-F141 PolarHBondContact O-N 3.12Å; C138-L142 WeakPolarHBondContact O-CB 3.25Å; C138-L142 VanDerWaalsContact O-CG 3.29Å; C138-L142 WeakPolarHBondContact O-CG 3.33Å; C138-L142 PolarHBondContact O-N 3.04Å
139E96.4Very high96.3Very high127 Ų12795.1 Ų95.159%0.59348%0.477SS*.Hα-helixtrans-62.8-40.1176.8-76.5179.3-178.400111.9L135 E136 K137 L142 L143L135-E139 WeakPolarHBondContact O-CB 3.44Å; L135-E139 WeakPolarHBondContact O-CG 3.43Å; L135-E139 PolarHBondContact O-N 3.18Å; E136-E139 PolarHBondContact O-N 2.92Å; K137-E139 VanDerWaalsContact C-N 3.35Å; E139-L142 PolarHBondContact O-N 3.45Å; E139-L143 WeakPolarHBondContact O-CB 3.08Å; E139-L143 PolarHBondContact O-N 3.21Å
140E95.5Very high96.4Very high131 Ų13195.9 Ų95.961%0.61249%0.485SS*.Hα-helixtrans-57.6-49.9172.8-174-177.8178.200111.4E136 K137 C138 L142 L143 Q144E136-E140 PolarHBondContact O-N 3.36Å; E136-E140 VanDerWaalsContact O-N 3.1Å; K137-E140 PolarHBondContact O-N 2.69Å; C138-E140 VanDerWaalsContact C-N 3.35Å; E140-L142 PolarHBondContact O-N 2.97Å; E140-L143 PolarHBondContact O-N 3.02Å; E140-Q144 PolarHBondContact O-N 3.38Å
141F95.7Very high96.5Very high131 Ų13198 Ų9858%0.57549%0.489SS*.Hα-helixtrans-63.9-39.1177.2-73.6-61000112.8K137 C138 L143 Q144 N145K137-F141 WeakPolarHBondContact O-CD2 3.34Å; K137-F141 PolarHBondContact O-N 3.46Å; C138-F141 PolarHBondContact O-N 3.12Å; F141-L143 VanDerWaalsContact C-N 3.34Å; F141-Q144 PolarHBondContact O-N 3.17Å; F141-N145 WeakPolarHBondContact O-CB 3.28Å; F141-N145 PolarHBondContact O-N 2.89Å
142L96.8Very high96.7Very high116 Ų116100.9 Ų100.961%0.60751%0.507SS*.Hα-helixtrans-63.3-41.7176.6-75.2172000111.3C138 E139 E140 N145 K146C138-L142 WeakPolarHBondContact O-CB 3.25Å; C138-L142 VanDerWaalsContact O-CG 3.29Å; C138-L142 WeakPolarHBondContact O-CG 3.33Å; C138-L142 PolarHBondContact O-N 3.04Å; E139-L142 PolarHBondContact O-N 3.45Å; E140-L142 PolarHBondContact O-N 2.97Å; L142-N145 PolarHBondContact O-N 2.96Å; L142-K146 WeakPolarHBondContact O-CB 3.5Å; L142-K146 PolarHBondContact O-N 3.5Å
143L97.3Very high96.8Very high123 Ų123104.8 Ų104.864%0.64453%0.525SS*.Hα-helixtrans-65.9-42.9176.7-175.762.6000111.7E139 E140 F141 K146 S147E139-L143 WeakPolarHBondContact O-CB 3.08Å; E139-L143 PolarHBondContact O-N 3.21Å; E140-L143 PolarHBondContact O-N 3.02Å; F141-L143 VanDerWaalsContact C-N 3.34Å; L143-K146 PolarHBondContact O-N 3.33Å; L143-S147 PolarHBondContact O-N 2.92Å; L143-S147 PolarHBondContact O-OG 2.91Å
144Q97.4Very high97Very high111 Ų111107.3 Ų107.352%0.51953%0.533SS..Hα-helixtrans-63.1-41.8175.8-173-176.911.700112.1E140 F141 S147 S148E140-Q144 PolarHBondContact O-N 3.38Å; F141-Q144 PolarHBondContact O-N 3.17Å; Q144-S147 PolarHBondContact O-N 3.5Å; Q144-S147 PolarHBondContact O-OG 2.91Å; Q144-S148 WeakPolarHBondContact O-CB 3.29Å; Q144-S148 PolarHBondContact O-N 3.48Å; Q144-S148 PolarHBondContact O-OG 3.42Å
145N97.8Very high97.1Very high91 Ų91110.1 Ų110.149%0.48754%0.544SS..Hα-helixtrans-65-44176.6-175.549.4000111F141 L142 S147 S148 M149F141-N145 WeakPolarHBondContact O-CB 3.28Å; F141-N145 PolarHBondContact O-N 2.89Å; L142-N145 PolarHBondContact O-N 2.96Å; N145-S147 PolarHBondContact O-N 3.27Å; N145-S148 PolarHBondContact O-N 3.49Å; N145-M149 WeakPolarHBondContact O-CG 3.44Å; N145-M149 PolarHBondContact O-N 3.05Å
146K97.6Very high97.3Very high141 Ų141110 Ų11061%0.61355%0.55SS*.Hα-helixtrans-60.3-44.8177.3-171.4177.9-178.2179.90111.9L142 L143 M149 V150L142-K146 WeakPolarHBondContact O-CB 3.5Å; L142-K146 PolarHBondContact O-N 3.5Å; L143-K146 PolarHBondContact O-N 3.33Å; K146-M149 PolarHBondContact O-N 3.43Å; K146-V150 WeakPolarHBondContact O-CG2 3.43Å; K146-V150 PolarHBondContact O-N 3.48Å; K146-V150 VanDerWaalsContact O-N 3.12Å
147S97.8Very high97.4Very high68 Ų68107.7 Ų107.748%0.47654%0.541SS..Hα-helixtrans-66.4-38.5177.966.50000112.3L143 Q144 N145 V150 R151L143-S147 PolarHBondContact O-N 2.92Å; L143-S147 PolarHBondContact O-OG 2.91Å; Q144-S147 PolarHBondContact O-N 3.5Å; Q144-S147 PolarHBondContact O-OG 2.91Å; N145-S147 PolarHBondContact O-N 3.27Å; S147-V150 PolarHBondContact O-N 3.42Å; S147-R151 PolarHBondContact O-N 2.92Å
148S97.8Very high97.6Very high63 Ų63106 Ų10644%0.44154%0.541SS..Hα-helixtrans-63.4-42.5175-59.50000112.2Q144 N145 R151 M152Q144-S148 WeakPolarHBondContact O-CB 3.29Å; Q144-S148 PolarHBondContact O-N 3.48Å; Q144-S148 PolarHBondContact O-OG 3.42Å; N145-S148 PolarHBondContact O-N 3.49Å; S148-R151 PolarHBondContact O-N 2.93Å; S148-M152 WeakPolarHBondContact O-CB 3.4Å; S148-M152 PolarHBondContact O-N 2.99Å
149M98.1Very high97.7Very high96 Ų96108.5 Ų108.547%0.47355%0.546SS..Hα-helixtrans-62.3-43.7175.5-73.6-163.9-64.600112.3N145 K146 R151 M152 Q153N145-M149 WeakPolarHBondContact O-CG 3.44Å; N145-M149 PolarHBondContact O-N 3.05Å; K146-M149 PolarHBondContact O-N 3.43Å; M149-R151 VanDerWaalsContact C-N 3.34Å; M149-R151 PolarHBondContact O-N 3.2Å; M149-M152 PolarHBondContact O-N 2.93Å; M149-Q153 PolarHBondContact O-N 3.21Å
150V98.3Very high97.8Very high71 Ų71107.5 Ų107.543%0.4354%0.541SS..Hα-helixtrans-60.1-45.2175.8171.20000110.8K146 S147 M152 Q153 Q154K146-V150 WeakPolarHBondContact O-CG2 3.43Å; K146-V150 PolarHBondContact O-N 3.48Å; K146-V150 VanDerWaalsContact O-N 3.12Å; S147-V150 PolarHBondContact O-N 3.42Å; V150-M152 PolarHBondContact O-N 2.99Å; V150-Q153 PolarHBondContact O-N 2.72Å; V150-Q154 WeakPolarHBondContact O-CG 3.04Å; V150-Q154 PolarHBondContact O-N 3.17Å
151R98.1Very high97.9Very high172 Ų172106.4 Ų106.465%0.64954%0.536SS*.Hα-helixtrans-62.9-41.1177.6-177.6175.1-1801540.7112.4S147 S148 M149 Q153 Q154 L155S147-R151 PolarHBondContact O-N 2.92Å; S148-R151 PolarHBondContact O-N 2.93Å; M149-R151 VanDerWaalsContact C-N 3.34Å; M149-R151 PolarHBondContact O-N 3.2Å; R151-Q153 VanDerWaalsContact C-N 3.35Å; R151-Q154 PolarHBondContact O-N 2.96Å; R151-L155 HydrophobicContact CG-CD1 4.19Å; R151-L155 WeakPolarHBondContact O-CG 3.47Å; R151-L155 PolarHBondContact O-N 3.35Å
152M98.3Very high98Very high128 Ų128102.7 Ų102.763%0.63153%0.529SS*.Hα-helixtrans-61.2-44.6176.6-177.9177.365.700111.3S148 M149 V150 L155 S156S148-M152 WeakPolarHBondContact O-CB 3.4Å; S148-M152 PolarHBondContact O-N 2.99Å; M149-M152 PolarHBondContact O-N 2.93Å; V150-M152 PolarHBondContact O-N 2.99Å; M152-L155 PolarHBondContact O-N 3.24Å; M152-S156 WeakPolarHBondContact O-CB 3.49Å; M152-S156 PolarHBondContact O-N 3.08Å
153Q98.4Very high98Very high129 Ų129101.6 Ų101.660%0.60352%0.523SS*.Hα-helixtrans-63-42.8176.9-171.41778.400111.9M149 V150 R151 S156 N157M149-Q153 PolarHBondContact O-N 3.21Å; V150-Q153 PolarHBondContact O-N 2.72Å; R151-Q153 VanDerWaalsContact C-N 3.35Å; Q153-S156 WeakPolarHBondContact O-CB 3.44Å; Q153-S156 PolarHBondContact O-N 3.46Å; Q153-N157 VanDerWaalsContact O-CG 3.29Å; Q153-N157 PolarHBondContact O-N 3.15Å; Q153-N157 PolarHBondContact O-OD1 3Å
154Q98.3Very high97.9Very high119 Ų119100.1 Ų100.156%0.55652%0.515SS*.Hα-helixtrans-60-46.6175.2-72.6172.7-17.700112.1V150 R151 S156 N157 V158V150-Q154 WeakPolarHBondContact O-CG 3.04Å; V150-Q154 PolarHBondContact O-N 3.17Å; R151-Q154 PolarHBondContact O-N 2.96Å; Q154-S156 VanDerWaalsContact C-N 3.34Å; Q154-S156 PolarHBondContact O-N 3Å; Q154-N157 PolarHBondContact O-N 2.89Å; Q154-V158 WeakPolarHBondContact O-CG2 3.42Å; Q154-V158 PolarHBondContact O-N 3.32Å
155L98.6Very high97.8Very high106 Ų106101.2 Ų101.256%0.55552%0.518SS*.Hα-helixtrans-64.2-38.8177.9-73.9172.5000112.1R151 M152 N157 V158 H159R151-L155 HydrophobicContact CG-CD1 4.19Å; R151-L155 WeakPolarHBondContact O-CG 3.47Å; R151-L155 PolarHBondContact O-N 3.35Å; M152-L155 PolarHBondContact O-N 3.24Å; L155-N157 VanDerWaalsContact C-N 3.34Å; L155-N157 PolarHBondContact O-N 3.44Å; L155-V158 PolarHBondContact O-N 3.43Å; L155-H159 VanDerWaalsContact O-CB 3.27Å; L155-H159 WeakPolarHBondContact O-CB 3.24Å; L155-H159 PolarHBondContact O-N 3.08Å
156S98.4Very high97.7Very high70 Ų70101.6 Ų101.649%0.4952%0.519SS..Hα-helixtrans-60.2-44.1174.9-171.20000111.7M152 Q153 Q154 H159 Q160M152-S156 WeakPolarHBondContact O-CB 3.49Å; M152-S156 PolarHBondContact O-N 3.08Å; Q153-S156 WeakPolarHBondContact O-CB 3.44Å; Q153-S156 PolarHBondContact O-N 3.46Å; Q154-S156 VanDerWaalsContact C-N 3.34Å; Q154-S156 PolarHBondContact O-N 3Å; S156-H159 PolarHBondContact O-N 2.9Å; S156-Q160 PolarHBondContact O-N 2.92Å
157N98.2Very high97.5Very high78 Ų78101 Ų10142%0.41752%0.518SS..Hα-helixtrans-63.9-47.4177.9-66.9-8.1000111.4Q153 Q154 L155 H159 Q160 E161Q153-N157 VanDerWaalsContact O-CG 3.29Å; Q153-N157 PolarHBondContact O-N 3.15Å; Q153-N157 PolarHBondContact O-OD1 3Å; Q154-N157 PolarHBondContact O-N 2.89Å; L155-N157 VanDerWaalsContact C-N 3.34Å; L155-N157 PolarHBondContact O-N 3.44Å; N157-H159 VanDerWaalsContact C-N 3.29Å; N157-H159 PolarHBondContact O-N 3.16Å; N157-Q160 PolarHBondContact O-N 3.07Å; N157-E161 WeakPolarHBondContact O-CG 3.37Å; N157-E161 PolarHBondContact O-N 3.18Å
158V98.2Very high97.1Very high88 Ų88105.4 Ų105.453%0.53353%0.529SS..Hα-helixtrans-61.5-39.3177.41730000111.4Q154 L155 E161 A162Q154-V158 WeakPolarHBondContact O-CG2 3.42Å; Q154-V158 PolarHBondContact O-N 3.32Å; L155-V158 PolarHBondContact O-N 3.43Å; V158-E161 PolarHBondContact O-N 2.9Å; V158-A162 WeakPolarHBondContact O-CB 3.49Å; V158-A162 PolarHBondContact O-N 2.85Å
159H98.1Very high96.7Very high120 Ų120109.3 Ų109.356%0.55654%0.544SS*.Hα-helixtrans-62.9-45176.4-178.561.6000111.7L155 S156 N157 A162 L163L155-H159 VanDerWaalsContact O-CB 3.27Å; L155-H159 WeakPolarHBondContact O-CB 3.24Å; L155-H159 PolarHBondContact O-N 3.08Å; S156-H159 PolarHBondContact O-N 2.9Å; N157-H159 VanDerWaalsContact C-N 3.29Å; N157-H159 PolarHBondContact O-N 3.16Å; H159-A162 PolarHBondContact O-N 3.37Å; H159-L163 WeakPolarHBondContact O-CG 3.29Å; H159-L163 PolarHBondContact O-N 2.9Å
160Q98.2Very high96.3Very high105 Ų105110.5 Ų110.549%0.49155%0.552SS.*Hα-helixtrans-62.8-42.4176.7-175.5177.5-9.200112S156 N157 A162 L163 M164S156-Q160 PolarHBondContact O-N 2.92Å; N157-Q160 PolarHBondContact O-N 3.07Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 3.25Å; Q160-L163 PolarHBondContact O-N 3Å; Q160-M164 HydrophobicContact CG-CE 4.01Å; Q160-M164 WeakPolarHBondContact O-CG 3.35Å; Q160-M164 PolarHBondContact O-N 2.94Å
161E97.8Very high95.7Very high108 Ų108111 Ų11151%0.50556%0.556SS.*Hα-helixtrans-61.7-40.5174.7-73.1178.7-167.200112.3N157 V158 M164 K165N157-E161 WeakPolarHBondContact O-CG 3.37Å; N157-E161 PolarHBondContact O-N 3.18Å; V158-E161 PolarHBondContact O-N 2.9Å; E161-M164 PolarHBondContact O-N 3.37Å; E161-K165 WeakPolarHBondContact O-CG 3.28Å; E161-K165 PolarHBondContact O-N 3.39Å
162A98.1Very high94.9Very high53 Ų53105.6 Ų105.644%0.43854%0.542SS..Hα-helixtrans-64.5-42176.900000111.6V158 H159 Q160 K165 L166V158-A162 WeakPolarHBondContact O-CB 3.49Å; V158-A162 PolarHBondContact O-N 2.85Å; H159-A162 PolarHBondContact O-N 3.37Å; Q160-A162 VanDerWaalsContact C-N 3.33Å; Q160-A162 PolarHBondContact O-N 3.25Å; A162-K165 PolarHBondContact O-N 3.47Å; A162-L166 WeakPolarHBondContact O-CB 3.22Å; A162-L166 PolarHBondContact O-N 3.17Å
163L97.3Very high94.2Very high93 Ų93102.3 Ų102.349%0.48753%0.53SS..Hα-helixtrans-61.6-44.3175.1-72.8176.2000111.9H159 Q160 K165 L166 E167H159-L163 WeakPolarHBondContact O-CG 3.29Å; H159-L163 PolarHBondContact O-N 2.9Å; Q160-L163 PolarHBondContact O-N 3Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 2.9Å; L163-L166 PolarHBondContact O-N 3.44Å; L163-E167 PolarHBondContact O-N 2.93Å
164M95.9Very high93.5Very high93 Ų9399.3 Ų99.346%0.45853%0.527SS..Hα-helixtrans-62.8-38.2176.3-71.2179178.300112.6Q160 E161 K168Q160-M164 HydrophobicContact CG-CE 4.01Å; Q160-M164 WeakPolarHBondContact O-CG 3.35Å; Q160-M164 PolarHBondContact O-N 2.94Å; E161-M164 PolarHBondContact O-N 3.37Å; M164-K168 WeakPolarHBondContact O-CG 3.33Å; M164-K168 PolarHBondContact O-N 2.88Å; M164-K168 VanDerWaalsContact O-N 3.12Å
165K95.4Very high92.8Very high134 Ų134100.7 Ų100.758%0.58353%0.534SS*.Hα-helixtrans-66.2-40.9175-74.3173.8-176.7171.80111.6E161 A162 L163 K168 L169E161-K165 WeakPolarHBondContact O-CG 3.28Å; E161-K165 PolarHBondContact O-N 3.39Å; A162-K165 PolarHBondContact O-N 3.47Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 2.9Å; K165-K168 PolarHBondContact O-N 2.86Å; K165-L169 WeakPolarHBondContact O-CG 3.49Å; K165-L169 PolarHBondContact O-N 3.23Å
166L95Very high92.2Very high99 Ų99100 Ų10052%0.51853%0.528SS..Hα-helixtrans-65.6-41.7178.5-172.8147.4000111.5A162 L163 L169 N170A162-L166 WeakPolarHBondContact O-CB 3.22Å; A162-L166 PolarHBondContact O-N 3.17Å; L163-L166 PolarHBondContact O-N 3.44Å; L166-L169 PolarHBondContact O-N 3.47Å; L166-N170 WeakPolarHBondContact CD2-ND2 3.5Å; L166-N170 WeakPolarHBondContact O-CB 3.43Å; L166-N170 PolarHBondContact O-N 3.06Å
167E93.2Very high91.6Very high128 Ų128104 Ų10460%0.59853%0.532SS*.Hα-helixtrans-60.3-44.7174-174.6177.8-167.300111.7L163 L169 N170 T171L163-E167 PolarHBondContact O-N 2.93Å; E167-L169 VanDerWaalsContact C-N 3.34Å; E167-L169 PolarHBondContact O-N 3.35Å; E167-N170 PolarHBondContact O-N 3.01Å; E167-T171 WeakPolarHBondContact O-CB 3.48Å; E167-T171 WeakPolarHBondContact O-CG2 3.4Å; E167-T171 PolarHBondContact O-N 3.43Å; E167-T171 PolarHBondContact O-OG1 3.01Å
168K89.8Confident91.2Very high161 Ų161107.1 Ų107.170%0.754%0.544SS*.Hα-helixtrans-62.1-36.6176-74176.3-179.1-175.60113.6M164 K165 T171M164-K168 WeakPolarHBondContact O-CG 3.33Å; M164-K168 PolarHBondContact O-N 2.88Å; M164-K168 VanDerWaalsContact O-N 3.12Å; K165-K168 PolarHBondContact O-N 2.86Å; K168-T171 WeakPolarHBondContact CA-OG1 3.4Å; K168-T171 PolarHBondContact O-OG1 3.05Å
169L90Very high90.9Very high144 Ų144108 Ų10875%0.75454%0.542SS*.Hα-helixtrans-76.1-33.5178.5-72.4171.1000112.7K165 L166 E167 T171K165-L169 WeakPolarHBondContact O-CG 3.49Å; K165-L169 PolarHBondContact O-N 3.23Å; L166-L169 PolarHBondContact O-N 3.47Å; E167-L169 VanDerWaalsContact C-N 3.34Å; E167-L169 PolarHBondContact O-N 3.35Å; L169-T171 VanDerWaalsContact C-N 3.33Å
170N88.4Confident90.5Very high121 Ų121108.9 Ų108.965%0.64755%0.545SS*.Hα-helixtrans-79.6-18.6178.4-74.6-19.2000113L166 E167 V172L166-N170 WeakPolarHBondContact CD2-ND2 3.5Å; L166-N170 WeakPolarHBondContact O-CB 3.43Å; L166-N170 PolarHBondContact O-N 3.06Å; E167-N170 PolarHBondContact O-N 3.01Å; N170-V172 PolarHBondContact O-N 3.16Å
171T86.6Confident90.3Very high83 Ų83110.2 Ų110.251%0.50955%0.549SS..  trans-87.187.2174.844.60000109.5E167 K168 L169 P173E167-T171 WeakPolarHBondContact O-CB 3.48Å; E167-T171 WeakPolarHBondContact O-CG2 3.4Å; E167-T171 PolarHBondContact O-N 3.43Å; E167-T171 PolarHBondContact O-OG1 3.01Å; K168-T171 WeakPolarHBondContact CA-OG1 3.4Å; K168-T171 PolarHBondContact O-OG1 3.05Å; L169-T171 VanDerWaalsContact C-N 3.33Å; T171-P173 WeakPolarHBondContact O-CD 3.48Å
172V80.1Confident90.2Very high58 Ų58110.8 Ų110.835%0.35255%0.551SS.*  trans-65.9122.5167.3-174.30000107.8N170 E176 R177N170-V172 PolarHBondContact O-N 3.16Å; V172-E176 HydrophobicContact CG1-CB 3.82Å; V172-R177 HydrophobicContact CB-CG 4.17Å; V172-R177 HydrophobicContact CG1-CG 3.75Å; V172-R177 VanDerWaalsContact O-CZ 3.24Å; V172-R177 PolarHBondContact O-NH2 3.13Å
173P84Confident90.1Very high58 Ų58114 Ų11438%0.37756%0.556SS.*  trans-50.2148175.3-27.435.2000112T171 E175 E176 R177T171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-E175 PolarHBondContact O-N 3.2Å; P173-E176 HydrophobicContact CB-CB 4.39Å; P173-E176 HydrophobicContact CB-CG 4.23Å; P173-E176 HydrophobicContact CG-CG 4.17Å; P173-E176 PolarHBondContact O-N 2.99Å; P173-R177 PolarHBondContact O-N 3.49Å; P173-R177 VanDerWaalsContact O-N 3.13Å
174A83.4Confident90Very high66 Ų66114.8 Ų114.855%0.54556%0.558SS.*Hα-helixtrans-59.2-37.2175.500000111.5R177 E178A174-R177 PolarHBondContact O-N 2.86Å; A174-E178 PolarHBondContact O-N 3.37Å
175E84.7Confident90.1Very high149 Ų149114 Ų11470%0.69656%0.556SS**Hα-helixtrans-59.5-53.3176.2-63.8171.8-17400111.4P173 R177 E178 E179P173-E175 PolarHBondContact O-N 3.2Å; E175-R177 VanDerWaalsContact C-N 3.28Å; E175-R177 PolarHBondContact O-N 3.34Å; E175-E178 PolarHBondContact O-N 3.29Å; E175-E179 WeakPolarHBondContact O-CG 3.47Å; E175-E179 PolarHBondContact O-N 2.74Å
176E85Confident90.2Very high92 Ų92110.8 Ų110.843%0.4355%0.545SS..Hα-helixtrans-59.3-38.8177.4-71-178.4-162.900112.1V172 P173 E178 E179 F180V172-E176 HydrophobicContact CG1-CB 3.82Å; P173-E176 HydrophobicContact CB-CB 4.39Å; P173-E176 HydrophobicContact CB-CG 4.23Å; P173-E176 HydrophobicContact CG-CG 4.17Å; P173-E176 PolarHBondContact O-N 2.99Å; E176-E178 VanDerWaalsContact C-N 3.33Å; E176-E178 PolarHBondContact O-N 2.87Å; E176-E179 PolarHBondContact O-N 3.19Å; E176-F180 WeakPolarHBondContact O-CB 3.14Å; E176-F180 WeakPolarHBondContact O-CD2 3.41Å; E176-F180 PolarHBondContact O-N 3.35Å
177R85.5Confident90.2Very high154 Ų154110.5 Ų110.558%0.58154%0.543SS*.Hα-helixtrans-63.9-38.4175.8-76.8-173.5-72.6-136.7-5.8112.6V172 P173 A174 E175 K181V172-R177 HydrophobicContact CB-CG 4.17Å; V172-R177 HydrophobicContact CG1-CG 3.75Å; V172-R177 VanDerWaalsContact O-CZ 3.24Å; V172-R177 PolarHBondContact O-NH2 3.13Å; P173-R177 PolarHBondContact O-N 3.49Å; P173-R177 VanDerWaalsContact O-N 3.13Å; A174-R177 PolarHBondContact O-N 2.86Å; E175-R177 VanDerWaalsContact C-N 3.28Å; E175-R177 PolarHBondContact O-N 3.34Å; R177-K181 WeakPolarHBondContact O-CB 3.33Å; R177-K181 PolarHBondContact O-N 3.32Å
178E89.9Confident90.4Very high143 Ų143109.9 Ų109.967%0.66854%0.54SS*.Hα-helixtrans-70.6-41.9177.9-167.9163.6-160.100111A174 E175 E176 K181 Q182A174-E178 PolarHBondContact O-N 3.37Å; E175-E178 PolarHBondContact O-N 3.29Å; E176-E178 VanDerWaalsContact C-N 3.33Å; E176-E178 PolarHBondContact O-N 2.87Å; E178-K181 WeakPolarHBondContact O-CB 3.37Å; E178-K181 PolarHBondContact O-N 3.2Å; E178-Q182 WeakPolarHBondContact O-CB 3.16Å; E178-Q182 PolarHBondContact O-N 3.25Å
179E91.4Very high90.7Very high107 Ų107108.1 Ų108.150%0.554%0.535SS..Hα-helixtrans-59.7-47.4172.1-71-178.518000111.9E175 E176 K181 Q182 F183E175-E179 WeakPolarHBondContact O-CG 3.47Å; E175-E179 PolarHBondContact O-N 2.74Å; E176-E179 PolarHBondContact O-N 3.19Å; E179-K181 VanDerWaalsContact C-N 3.27Å; E179-K181 PolarHBondContact O-N 3.12Å; E179-Q182 PolarHBondContact O-N 3.37Å; E179-F183 HydrophobicContact CB-CE2 4.33Å; E179-F183 WeakPolarHBondContact O-CD2 3.37Å; E179-F183 WeakPolarHBondContact O-CG 3.21Å; E179-F183 PolarHBondContact O-N 3.42Å
180F91.6Very high91Very high138 Ų138106.7 Ų106.761%0.60553%0.527SS*.Hα-helixtrans-59.3-39.9176.1-93.5-69.3000112.1E176 M184E176-F180 WeakPolarHBondContact O-CB 3.14Å; E176-F180 WeakPolarHBondContact O-CD2 3.41Å; E176-F180 PolarHBondContact O-N 3.35Å; F180-M184 WeakPolarHBondContact O-CB 3.41Å; F180-M184 WeakPolarHBondContact O-CG 3.2Å; F180-M184 PolarHBondContact O-N 3.05Å
181K93.9Very high91.3Very high132 Ų132106.1 Ų106.157%0.57452%0.52SS*.Hα-helixtrans-66-45.2176.1-173.8-175.2173.8-167.30111.1R177 E178 E179 F183 M184 D185R177-K181 WeakPolarHBondContact O-CB 3.33Å; R177-K181 PolarHBondContact O-N 3.32Å; E178-K181 WeakPolarHBondContact O-CB 3.37Å; E178-K181 PolarHBondContact O-N 3.2Å; E179-K181 VanDerWaalsContact C-N 3.27Å; E179-K181 PolarHBondContact O-N 3.12Å; K181-F183 PolarHBondContact O-N 2.98Å; K181-M184 WeakPolarHBondContact O-CB 3.46Å; K181-M184 PolarHBondContact O-N 3.3Å; K181-M184 VanDerWaalsContact O-N 3.16Å; K181-D185 VanDerWaalsContact O-CG 3.31Å; K181-D185 PolarHBondContact O-N 3.02Å
182Q95.3Very high91.7Very high120 Ų120106.7 Ų106.756%0.56152%0.517SS*.Hα-helixtrans-60.6-45.8177.3-173.4173.77.100111.5E178 E179 M184 D185 D186E178-Q182 WeakPolarHBondContact O-CB 3.16Å; E178-Q182 PolarHBondContact O-N 3.25Å; E179-Q182 PolarHBondContact O-N 3.37Å; Q182-M184 VanDerWaalsContact C-N 3.29Å; Q182-M184 PolarHBondContact O-N 3.03Å; Q182-D185 PolarHBondContact O-N 3.3Å; Q182-D186 WeakPolarHBondContact O-CB 3.42Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 3.36Å
183F96Very high92.4Very high122 Ų122106.3 Ų106.354%0.53551%0.513SS..Hα-helixtrans-61.6-37.5174.8-72.4-49.7000112.7E179 K181 I187E179-F183 HydrophobicContact CB-CE2 4.33Å; E179-F183 WeakPolarHBondContact O-CD2 3.37Å; E179-F183 WeakPolarHBondContact O-CG 3.21Å; E179-F183 PolarHBondContact O-N 3.42Å; K181-F183 PolarHBondContact O-N 2.98Å; F183-I187 WeakPolarHBondContact O-CB 3.4Å; F183-I187 WeakPolarHBondContact O-CD1 3.38Å; F183-I187 WeakPolarHBondContact O-CG1 3.41Å; F183-I187 PolarHBondContact O-N 3.23Å
184M95.7Very high92.9Very high109 Ų109108.9 Ų108.954%0.53752%0.523SS..Hα-helixtrans-63.6-44.3174.1-83.7-174.345.300112.1F180 K181 Q182 I187 Q188F180-M184 WeakPolarHBondContact O-CB 3.41Å; F180-M184 WeakPolarHBondContact O-CG 3.2Å; F180-M184 PolarHBondContact O-N 3.05Å; K181-M184 WeakPolarHBondContact O-CB 3.46Å; K181-M184 PolarHBondContact O-N 3.3Å; K181-M184 VanDerWaalsContact O-N 3.16Å; Q182-M184 VanDerWaalsContact C-N 3.29Å; Q182-M184 PolarHBondContact O-N 3.03Å; M184-I187 PolarHBondContact O-N 2.94Å; M184-Q188 WeakPolarHBondContact O-CG 3.45Å; M184-Q188 PolarHBondContact O-N 2.97Å
185D96.6Very high93.3Very high77 Ų77110.2 Ų110.241%0.41252%0.521SS..Hα-helixtrans-64.3-44.6178.8-67-17000110.1K181 Q182 I187 Q188 E189K181-D185 VanDerWaalsContact O-CG 3.31Å; K181-D185 PolarHBondContact O-N 3.02Å; Q182-D185 PolarHBondContact O-N 3.3Å; D185-I187 PolarHBondContact O-N 3.42Å; D185-Q188 WeakPolarHBondContact O-CB 3.45Å; D185-Q188 PolarHBondContact O-N 3.43Å; D185-Q188 VanDerWaalsContact O-N 3.17Å; D185-E189 PolarHBondContact O-N 3.42Å
186D97Very high93.6Very high66 Ų66107.5 Ų107.535%0.35351%0.508SS..Hα-helixtrans-60.7-42.8175.3-69.5-13.3000112.1Q182 Q188 E189 L190Q182-D186 WeakPolarHBondContact O-CB 3.42Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 3.36Å; D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 PolarHBondContact O-N 2.92Å; D186-E189 PolarHBondContact O-N 3.32Å; D186-L190 WeakPolarHBondContact O-CB 3.43Å; D186-L190 VanDerWaalsContact O-CG 3.28Å; D186-L190 WeakPolarHBondContact O-CG 3.32Å; D186-L190 PolarHBondContact O-N 3.01Å
187I96.8Very high93.9Very high92 Ų92108.5 Ų108.547%0.47251%0.513SS..Hα-helixtrans-62.3-42.1176.3-74.2166.1000110.3F183 M184 D185 Q191F183-I187 WeakPolarHBondContact O-CB 3.4Å; F183-I187 WeakPolarHBondContact O-CD1 3.38Å; F183-I187 WeakPolarHBondContact O-CG1 3.41Å; F183-I187 PolarHBondContact O-N 3.23Å; M184-I187 PolarHBondContact O-N 2.94Å; D185-I187 PolarHBondContact O-N 3.42Å; I187-Q191 HydrophobicContact CG2-CG 4.43Å; I187-Q191 WeakPolarHBondContact O-CB 3.46Å; I187-Q191 WeakPolarHBondContact O-CG 3.27Å; I187-Q191 PolarHBondContact O-N 3Å
188Q96.1Very high94.3Very high115 Ų115106.7 Ų106.754%0.53751%0.509SS..Hα-helixtrans-65.4-43.2177.8-73.9179.59.900111.5M184 D185 D186 Q191 H192M184-Q188 WeakPolarHBondContact O-CG 3.45Å; M184-Q188 PolarHBondContact O-N 2.97Å; D185-Q188 WeakPolarHBondContact O-CB 3.45Å; D185-Q188 PolarHBondContact O-N 3.43Å; D185-Q188 VanDerWaalsContact O-N 3.17Å; D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 PolarHBondContact O-N 2.92Å; Q188-Q191 PolarHBondContact O-N 2.97Å; Q188-H192 WeakPolarHBondContact O-CB 3.45Å; Q188-H192 PolarHBondContact O-N 3.25Å
189E96Very high94.4Very high124 Ų124108 Ų10858%0.57951%0.509SS*.Hα-helixtrans-63.4-45.4177.2-171.4176.1-177.400111.6D185 D186 Q191 H192 L193D185-E189 PolarHBondContact O-N 3.42Å; D186-E189 PolarHBondContact O-N 3.32Å; E189-Q191 VanDerWaalsContact C-N 3.34Å; E189-Q191 PolarHBondContact O-N 3.46Å; E189-H192 WeakPolarHBondContact O-CB 3.43Å; E189-H192 PolarHBondContact O-N 3.22Å; E189-H192 VanDerWaalsContact O-N 3.16Å; E189-L193 HydrophobicContact CG-CD1 4.27Å; E189-L193 WeakPolarHBondContact O-CG 3.4Å; E189-L193 PolarHBondContact O-N 2.96Å
190L96.2Very high94.5Very high115 Ų115108.9 Ų108.960%0.60251%0.512SS*.Hα-helixtrans-63.6-39.4176.3-73.6172.6000112.3D186 H192 L194D186-L190 WeakPolarHBondContact O-CB 3.43Å; D186-L190 VanDerWaalsContact O-CG 3.28Å; D186-L190 WeakPolarHBondContact O-CG 3.32Å; D186-L190 PolarHBondContact O-N 3.01Å; L190-H192 VanDerWaalsContact C-N 3.31Å; L190-L194 VanDerWaalsContact O-CB 3.29Å; L190-L194 WeakPolarHBondContact O-CB 3.5Å; L190-L194 PolarHBondContact O-N 3.4Å
191Q95.9Very high94.7Very high108 Ų108108.6 Ų108.651%0.50551%0.511SS..Hα-helixtrans-63.4-39.3173.8-78.5178.4-000111.6I187 Q188 E189 N195I187-Q191 HydrophobicContact CG2-CG 4.43Å; I187-Q191 WeakPolarHBondContact O-CB 3.46Å; I187-Q191 WeakPolarHBondContact O-CG 3.27Å; I187-Q191 PolarHBondContact O-N 3Å; Q188-Q191 PolarHBondContact O-N 2.97Å; E189-Q191 VanDerWaalsContact C-N 3.34Å; E189-Q191 PolarHBondContact O-N 3.46Å; Q191-N195 VanDerWaalsContact O-CB 3.24Å; Q191-N195 WeakPolarHBondContact O-CB 3.45Å; Q191-N195 VanDerWaalsContact O-CG 3.26Å; Q191-N195 PolarHBondContact O-N 3.04Å; Q191-N195 PolarHBondContact O-ND2 3.49Å
192H94.2Very high94.7Very high95 Ų95105.6 Ų105.644%0.4450%0.504SS..Hα-helixtrans-64.4-52.6176.2-177.2-80.9000111.5Q188 E189 L190 L194 N195 E196Q188-H192 WeakPolarHBondContact O-CB 3.45Å; Q188-H192 PolarHBondContact O-N 3.25Å; E189-H192 WeakPolarHBondContact O-CB 3.43Å; E189-H192 PolarHBondContact O-N 3.22Å; E189-H192 VanDerWaalsContact O-N 3.16Å; L190-H192 VanDerWaalsContact C-N 3.31Å; H192-L194 VanDerWaalsContact C-N 3.3Å; H192-L194 PolarHBondContact O-N 3.41Å; H192-N195 PolarHBondContact O-N 3.39Å; H192-E196 IonicContact CD2-OE1 3.19Å; H192-E196 IonicContact CD2-OE2 3.26Å; H192-E196 IonicContact CE1-OE2 2.99Å; H192-E196 PolarHBondContact CE1-OE2 3.04Å; H192-E196 VanDerWaalsContact NE2-CD 3.27Å; H192-E196 IonicContact NE2-OE1 3.39Å; H192-E196 IonicContact NE2-OE2 3.25Å; H192-E196 PolarHBondContact NE2-OE2 3.38Å; H192-E196 VanDerWaalsContact NE2-OE2 3.08Å; H192-E196 WeakPolarHBondContact O-CB 3.42Å; H192-E196 PolarHBondContact O-N 3.29Å
193L95Very high94.7Very high51 Ų51102.9 Ų102.927%0.26750%0.495SS..Hα-helixtrans-54.8-44.7177-75.4166.8000112.1E189 E197 F198E189-L193 HydrophobicContact CG-CD1 4.27Å; E189-L193 WeakPolarHBondContact O-CG 3.4Å; E189-L193 PolarHBondContact O-N 2.96Å; L193-E197 HydrophobicContact CD2-CG 4.37Å; L193-E197 WeakPolarHBondContact CD2-OE2 3.4Å; L193-E197 PolarHBondContact O-N 2.87Å; L193-F198 WeakPolarHBondContact O-CD2 3.35Å; L193-F198 PolarHBondContact O-N 3.35Å
194L94.3Very high94.7Very high111 Ų111102 Ų10258%0.58150%0.496SS*.Iπ-helixtrans-64.8-48.6178.7-178.863.4000112.3L190 H192 F198 R199L190-L194 VanDerWaalsContact O-CB 3.29Å; L190-L194 WeakPolarHBondContact O-CB 3.5Å; L190-L194 PolarHBondContact O-N 3.4Å; H192-L194 VanDerWaalsContact C-N 3.3Å; H192-L194 PolarHBondContact O-N 3.41Å; L194-F198 HydrophobicContact CD1-CB 4.49Å; L194-R199 PolarHBondContact O-N 3.01Å
195N93.1Very high94.8Very high94 Ų94101.3 Ų101.350%0.50349%0.494SS..Iπ-helixtrans-77.3-33.1-172-75.2-34.5000113.4Q191 H192 R199Q191-N195 VanDerWaalsContact O-CB 3.24Å; Q191-N195 WeakPolarHBondContact O-CB 3.45Å; Q191-N195 VanDerWaalsContact O-CG 3.26Å; Q191-N195 PolarHBondContact O-N 3.04Å; Q191-N195 PolarHBondContact O-ND2 3.49Å; H192-N195 PolarHBondContact O-N 3.39Å; N195-R199 WeakPolarHBondContact O-CB 3.4Å; N195-R199 WeakPolarHBondContact O-CD 3.37Å
196E90.5Very high94.8Very high93 Ų93103.5 Ų103.544%0.43550%0.502SS..Iπ-helixtrans-94.7-66.2-177.5-60.7-157.9163.400111.1H192 Q200H192-E196 IonicContact CD2-OE1 3.19Å; H192-E196 IonicContact CD2-OE2 3.26Å; H192-E196 IonicContact CE1-OE2 2.99Å; H192-E196 PolarHBondContact CE1-OE2 3.04Å; H192-E196 VanDerWaalsContact NE2-CD 3.27Å; H192-E196 IonicContact NE2-OE1 3.39Å; H192-E196 IonicContact NE2-OE2 3.25Å; H192-E196 PolarHBondContact NE2-OE2 3.38Å; H192-E196 VanDerWaalsContact NE2-OE2 3.08Å; H192-E196 WeakPolarHBondContact O-CB 3.42Å; H192-E196 PolarHBondContact O-N 3.29Å; E196-Q200 VanDerWaalsContact O-CB 3.25Å; E196-Q200 WeakPolarHBondContact O-CB 3.43Å; E196-Q200 WeakPolarHBondContact O-CG 3.37Å; E196-Q200 PolarHBondContact O-N 3.36Å
197E90.5Very high94.8Very high113 Ų113106.1 Ų106.153%0.52851%0.512SS..Iπ-helixtrans-70.8-51.6-169.3-60.9-169.417000112.4L193 R199 Q200 K201L193-E197 HydrophobicContact CD2-CG 4.37Å; L193-E197 WeakPolarHBondContact CD2-OE2 3.4Å; L193-E197 PolarHBondContact O-N 2.87Å; E197-R199 VanDerWaalsContact C-N 3.34Å; E197-R199 PolarHBondContact O-N 2.92Å; E197-Q200 PolarHBondContact O-N 3.33Å; E197-K201 WeakPolarHBondContact O-CB 3.29Å; E197-K201 PolarHBondContact O-N 3.01Å
198F93.1Very high94.8Very high115 Ų115108 Ų10850%0.50452%0.518SS..Iπ-helixtrans-68.2-36.3-177.7-78.2-71.4000112.1L193 L194 T202L193-F198 WeakPolarHBondContact O-CD2 3.35Å; L193-F198 PolarHBondContact O-N 3.35Å; L194-F198 HydrophobicContact CD1-CB 4.49Å; F198-T202 WeakPolarHBondContact O-CB 3.37Å; F198-T202 PolarHBondContact O-N 2.96Å; F198-T202 PolarHBondContact O-OG1 3.48Å
199R93.8Very high94.8Very high172 Ų172110.2 Ų110.265%0.64952%0.523SS*.Hα-helixtrans-65.6-47.4176-166.5177.3177.8175.1-1.1111.3L194 N195 E197 K201 T202 T203L194-R199 PolarHBondContact O-N 3.01Å; N195-R199 WeakPolarHBondContact O-CB 3.4Å; N195-R199 WeakPolarHBondContact O-CD 3.37Å; E197-R199 VanDerWaalsContact C-N 3.34Å; E197-R199 PolarHBondContact O-N 2.92Å; R199-K201 PolarHBondContact O-N 3.48Å; R199-T202 PolarHBondContact O-N 3.31Å; R199-T203 PolarHBondContact O-N 3.3Å; R199-T203 PolarHBondContact O-OG1 2.91Å
200Q93.8Very high94.8Very high124 Ų124107 Ų10758%0.57952%0.518SS*.Hα-helixtrans-59.3-47176.1-74.417224.300111.4E196 E197 T202 T203 L204E196-Q200 VanDerWaalsContact O-CB 3.25Å; E196-Q200 WeakPolarHBondContact O-CB 3.43Å; E196-Q200 WeakPolarHBondContact O-CG 3.37Å; E196-Q200 PolarHBondContact O-N 3.36Å; E197-Q200 PolarHBondContact O-N 3.33Å; Q200-T202 VanDerWaalsContact C-N 3.29Å; Q200-T202 PolarHBondContact O-N 3.12Å; Q200-T203 PolarHBondContact O-N 3.46Å; Q200-T203 VanDerWaalsContact O-N 3.17Å; Q200-L204 WeakPolarHBondContact O-CG 3.5Å; Q200-L204 PolarHBondContact O-N 2.9Å
201K94.4Very high94.9Very high132 Ų132108.2 Ų108.257%0.57452%0.518SS*.Hα-helixtrans-60.3-39.5177.6-170.5174.4-176175.40112.1E197 R199 L205E197-K201 WeakPolarHBondContact O-CB 3.29Å; E197-K201 PolarHBondContact O-N 3.01Å; R199-K201 PolarHBondContact O-N 3.48Å; K201-L205 HydrophobicContact CG-CD1 4.18Å; K201-L205 WeakPolarHBondContact O-CB 3.5Å; K201-L205 WeakPolarHBondContact O-CG 3.37Å; K201-L205 PolarHBondContact O-N 3.01Å
202T95.2Very high95Very high70 Ų70108.6 Ų108.643%0.42952%0.521SS..Hα-helixtrans-65.1-42.8176.3-58.30000111.4F198 R199 Q200 L205 Q206F198-T202 WeakPolarHBondContact O-CB 3.37Å; F198-T202 PolarHBondContact O-N 2.96Å; F198-T202 PolarHBondContact O-OG1 3.48Å; R199-T202 PolarHBondContact O-N 3.31Å; Q200-T202 VanDerWaalsContact C-N 3.29Å; Q200-T202 PolarHBondContact O-N 3.12Å; T202-L205 PolarHBondContact O-N 3.28Å; T202-Q206 WeakPolarHBondContact O-CB 3.47Å; T202-Q206 VanDerWaalsContact O-CG 3.28Å; T202-Q206 WeakPolarHBondContact O-CG 3.08Å; T202-Q206 PolarHBondContact O-N 3.38Å
203T95.3Very high95.2Very high62 Ų62110.4 Ų110.438%0.3853%0.528SS..Hα-helixtrans-62-47.1176.5-600000111.7R199 Q200 L205 Q206 E207R199-T203 PolarHBondContact O-N 3.3Å; R199-T203 PolarHBondContact O-OG1 2.91Å; Q200-T203 PolarHBondContact O-N 3.46Å; Q200-T203 VanDerWaalsContact O-N 3.17Å; T203-L205 PolarHBondContact O-N 2.99Å; T203-Q206 WeakPolarHBondContact O-CB 3.4Å; T203-Q206 PolarHBondContact O-N 3.41Å; T203-Q206 VanDerWaalsContact O-N 3.17Å; T203-E207 WeakPolarHBondContact O-CG 3.49Å; T203-E207 PolarHBondContact O-N 3.45Å
204L95.8Very high95.3Very high103 Ų103111.4 Ų111.454%0.53954%0.539SS..Hα-helixtrans-61-44.8177.9-68.8174.1000112.2Q200 Q206 E207 E208Q200-L204 WeakPolarHBondContact O-CG 3.5Å; Q200-L204 PolarHBondContact O-N 2.9Å; L204-Q206 VanDerWaalsContact C-N 3.29Å; L204-Q206 PolarHBondContact O-N 3.31Å; L204-E207 PolarHBondContact O-N 2.97Å; L204-E208 WeakPolarHBondContact O-CG 3.36Å; L204-E208 PolarHBondContact O-N 3.49Å
205L96.6Very high95.5Very high95 Ų95109 Ų10950%0.49753%0.527SS..Hα-helixtrans-61.4-37.2175.8-81.9163.5000112.5K201 T202 T203 Y209K201-L205 HydrophobicContact CG-CD1 4.18Å; K201-L205 WeakPolarHBondContact O-CB 3.5Å; K201-L205 WeakPolarHBondContact O-CG 3.37Å; K201-L205 PolarHBondContact O-N 3.01Å; T202-L205 PolarHBondContact O-N 3.28Å; T203-L205 PolarHBondContact O-N 2.99Å; L205-Y209 VanDerWaalsContact O-CB 3.29Å; L205-Y209 WeakPolarHBondContact O-CB 3.4Å; L205-Y209 PolarHBondContact O-N 3.36Å
206Q96.8Very high95.7Very high124 Ų124109 Ų10958%0.57953%0.526SS*.Hα-helixtrans-66.6-39.4176.1-76.3175-6.400112T202 T203 L204 Y209 A210T202-Q206 WeakPolarHBondContact O-CB 3.47Å; T202-Q206 VanDerWaalsContact O-CG 3.28Å; T202-Q206 WeakPolarHBondContact O-CG 3.08Å; T202-Q206 PolarHBondContact O-N 3.38Å; T203-Q206 WeakPolarHBondContact O-CB 3.4Å; T203-Q206 PolarHBondContact O-N 3.41Å; T203-Q206 VanDerWaalsContact O-N 3.17Å; L204-Q206 VanDerWaalsContact C-N 3.29Å; L204-Q206 PolarHBondContact O-N 3.31Å; Q206-Y209 PolarHBondContact O-N 2.95Å; Q206-A210 WeakPolarHBondContact O-CB 3.32Å; Q206-A210 PolarHBondContact O-N 2.87Å
207E96.8Very high96Very high120 Ų120108.3 Ų108.356%0.56153%0.531SS*.Hα-helixtrans-65-45.5175.1-70.7176-179.600111.7T203 L204 Y209 A210 K211T203-E207 WeakPolarHBondContact O-CG 3.49Å; T203-E207 PolarHBondContact O-N 3.45Å; L204-E207 PolarHBondContact O-N 2.97Å; E207-Y209 PolarHBondContact O-N 3.36Å; E207-A210 PolarHBondContact O-N 2.81Å; E207-K211 WeakPolarHBondContact O-CB 3.18Å; E207-K211 PolarHBondContact O-N 3.29Å
208E97.1Very high96.3Very high131 Ų131109.2 Ų109.261%0.61254%0.536SS*.Hα-helixtrans-60.7-44.4175.1-73-175.7162.500111.8L204 A210 K211 M212L204-E208 WeakPolarHBondContact O-CG 3.36Å; L204-E208 PolarHBondContact O-N 3.49Å; E208-A210 PolarHBondContact O-N 2.91Å; E208-K211 PolarHBondContact O-N 3.45Å; E208-M212 WeakPolarHBondContact O-CB 3.46Å; E208-M212 PolarHBondContact O-N 3.3Å
209Y96.1Very high96.5Very high162 Ų162110.9 Ų110.964%0.63554%0.543SS*.Hα-helixtrans-61.5-43.6175.7175.9-102.4000111.9L205 Q206 E207 K211 M212 K213L205-Y209 VanDerWaalsContact O-CB 3.29Å; L205-Y209 WeakPolarHBondContact O-CB 3.4Å; L205-Y209 PolarHBondContact O-N 3.36Å; Q206-Y209 PolarHBondContact O-N 2.95Å; E207-Y209 PolarHBondContact O-N 3.36Å; Y209-K211 VanDerWaalsContact C-N 3.35Å; Y209-K211 PolarHBondContact O-N 2.88Å; Y209-M212 PolarHBondContact O-N 3.39Å; Y209-K213 HydrophobicContact CE1-CD 4.44Å; Y209-K213 VanDerWaalsContact O-CB 3.31Å; Y209-K213 WeakPolarHBondContact O-CB 3.31Å; Y209-K213 PolarHBondContact O-N 2.92Å
210A97.3Very high96.7Very high57 Ų57106 Ų10647%0.47153%0.532SS..Hα-helixtrans-62.7-42.2177.300000111.7Q206 E207 E208 K213 S214Q206-A210 WeakPolarHBondContact O-CB 3.32Å; Q206-A210 PolarHBondContact O-N 2.87Å; E207-A210 PolarHBondContact O-N 2.81Å; E208-A210 PolarHBondContact O-N 2.91Å; A210-K213 PolarHBondContact O-N 3.21Å; A210-S214 PolarHBondContact O-N 3.21Å
211K97.6Very high96.8Very high140 Ų140106.4 Ų106.461%0.60953%0.532SS*.Hα-helixtrans-62-50.6175.2-173.6-179.5-179.9-178.10111.5E207 E208 Y209 K213 S214 D215E207-K211 WeakPolarHBondContact O-CB 3.18Å; E207-K211 PolarHBondContact O-N 3.29Å; E208-K211 PolarHBondContact O-N 3.45Å; Y209-K211 VanDerWaalsContact C-N 3.35Å; Y209-K211 PolarHBondContact O-N 2.88Å; K211-K213 VanDerWaalsContact C-N 3.28Å; K211-K213 PolarHBondContact O-N 3.31Å; K211-S214 WeakPolarHBondContact O-CA 3.33Å; K211-S214 WeakPolarHBondContact O-CB 3.06Å; K211-S214 PolarHBondContact O-N 3.46Å; K211-D215 PolarHBondContact O-N 3.44Å
212M97.6Very high97Very high116 Ų116105 Ų10557%0.57153%0.527SS*.Hα-helixtrans-59.9-39.8178.6-172.163.5167.400111.9E208 Y209 S214 D215 I216E208-M212 WeakPolarHBondContact O-CB 3.46Å; E208-M212 PolarHBondContact O-N 3.3Å; Y209-M212 PolarHBondContact O-N 3.39Å; M212-S214 VanDerWaalsContact C-N 3.34Å; M212-D215 PolarHBondContact O-N 2.96Å; M212-I216 HydrophobicContact CG-CD1 4.16Å; M212-I216 VanDerWaalsContact O-CG1 3.27Å; M212-I216 WeakPolarHBondContact O-CG1 3.32Å; M212-I216 PolarHBondContact O-N 3.1Å
213K97.7Very high97Very high133 Ų133105.6 Ų105.658%0.57853%0.527SS*.Hα-helixtrans-63.7-39.6175.1-173.3179.1179.7-1770112Y209 A210 K211 S217Y209-K213 HydrophobicContact CE1-CD 4.44Å; Y209-K213 VanDerWaalsContact O-CB 3.31Å; Y209-K213 WeakPolarHBondContact O-CB 3.31Å; Y209-K213 PolarHBondContact O-N 2.92Å; A210-K213 PolarHBondContact O-N 3.21Å; K211-K213 VanDerWaalsContact C-N 3.28Å; K211-K213 PolarHBondContact O-N 3.31Å; K213-S217 WeakPolarHBondContact O-CB 3.41Å; K213-S217 PolarHBondContact O-N 2.61Å
214S97.5Very high97.1Very high73 Ų73106.3 Ų106.351%0.5153%0.529SS..Hα-helixtrans-62.8-47.9173.9-1720000111.3A210 K211 M212 I216 S217 E218A210-S214 PolarHBondContact O-N 3.21Å; K211-S214 WeakPolarHBondContact O-CA 3.33Å; K211-S214 WeakPolarHBondContact O-CB 3.06Å; K211-S214 PolarHBondContact O-N 3.46Å; M212-S214 VanDerWaalsContact C-N 3.34Å; S214-I216 VanDerWaalsContact C-N 3.34Å; S214-I216 PolarHBondContact O-N 3.41Å; S214-S217 WeakPolarHBondContact O-CB 3.41Å; S214-S217 PolarHBondContact O-N 3.12Å; S214-S217 VanDerWaalsContact O-N 3.12Å; S214-E218 PolarHBondContact O-N 2.8Å
215D97.9Very high97.1Very high59 Ų59106 Ų10632%0.31652%0.524SS..Hα-helixtrans-61.1-41.3178.9-69.8-2.1000111.8K211 M212 E218 K219K211-D215 PolarHBondContact O-N 3.44Å; M212-D215 PolarHBondContact O-N 2.96Å; D215-E218 PolarHBondContact O-N 3.07Å; D215-K219 WeakPolarHBondContact O-CB 3.25Å; D215-K219 VanDerWaalsContact O-CG 3.29Å; D215-K219 WeakPolarHBondContact O-CG 3.43Å; D215-K219 PolarHBondContact O-N 3.1Å
216I97.4Very high97.1Very high94 Ų94106.7 Ų106.748%0.48253%0.525SS..Hα-helixtrans-62.2-44.4174.6-71.2167.2000110.6M212 S214 K219 T220M212-I216 HydrophobicContact CG-CD1 4.16Å; M212-I216 VanDerWaalsContact O-CG1 3.27Å; M212-I216 WeakPolarHBondContact O-CG1 3.32Å; M212-I216 PolarHBondContact O-N 3.1Å; S214-I216 VanDerWaalsContact C-N 3.34Å; S214-I216 PolarHBondContact O-N 3.41Å; I216-K219 PolarHBondContact O-N 3.36Å; I216-T220 VanDerWaalsContact O-CB 3.27Å; I216-T220 WeakPolarHBondContact O-CB 3.49Å; I216-T220 PolarHBondContact O-N 2.95Å; I216-T220 PolarHBondContact O-OG1 3.36Å
217S97.2Very high97Very high79 Ų79106.2 Ų106.255%0.55252%0.521SS*.Hα-helixtrans-61.1-45.7177.9-173.50000111.5K213 S214 T220 K221K213-S217 WeakPolarHBondContact O-CB 3.41Å; K213-S217 PolarHBondContact O-N 2.61Å; S214-S217 WeakPolarHBondContact O-CB 3.41Å; S214-S217 PolarHBondContact O-N 3.12Å; S214-S217 VanDerWaalsContact O-N 3.12Å; S217-T220 PolarHBondContact O-N 3.39Å; S217-K221 PolarHBondContact O-N 3.34Å
218E97.6Very high97Very high133 Ų133106.5 Ų106.562%0.62153%0.526SS*.Hα-helixtrans-63.8-48.2178.1-172.2-179.4-172.500111.8S214 D215 T220 K221 H222S214-E218 PolarHBondContact O-N 2.8Å; D215-E218 PolarHBondContact O-N 3.07Å; E218-T220 VanDerWaalsContact C-N 3.28Å; E218-T220 PolarHBondContact O-N 3.38Å; E218-K221 WeakPolarHBondContact O-CB 3.38Å; E218-K221 PolarHBondContact O-N 3.22Å; E218-H222 PolarHBondContact O-N 3.46Å
219K97.7Very high96.9Very high150 Ų150103.2 Ų103.265%0.65252%0.518SS*.Hα-helixtrans-61.2-37.7175.8-72.1-179.1-168.2-57.80111.9D215 I216 H222 L223D215-K219 WeakPolarHBondContact O-CB 3.25Å; D215-K219 VanDerWaalsContact O-CG 3.29Å; D215-K219 WeakPolarHBondContact O-CG 3.43Å; D215-K219 PolarHBondContact O-N 3.1Å; I216-K219 PolarHBondContact O-N 3.36Å; K219-H222 PolarHBondContact O-N 3.32Å; K219-L223 WeakPolarHBondContact O-CB 3.5Å; K219-L223 PolarHBondContact O-N 3.1Å
220T97.1Very high96.8Very high68 Ų68100.2 Ų100.242%0.41751%0.512SS..Hα-helixtrans-65-42.5176.2-59.30000111.2I216 S217 E218 L223 N224I216-T220 VanDerWaalsContact O-CB 3.27Å; I216-T220 WeakPolarHBondContact O-CB 3.49Å; I216-T220 PolarHBondContact O-N 2.95Å; I216-T220 PolarHBondContact O-OG1 3.36Å; S217-T220 PolarHBondContact O-N 3.39Å; E218-T220 VanDerWaalsContact C-N 3.28Å; E218-T220 PolarHBondContact O-N 3.38Å; T220-L223 PolarHBondContact O-N 3.27Å; T220-N224 PolarHBondContact O-N 3.02Å; T220-N224 PolarHBondContact O-ND2 3.32Å
221K97.1Very high96.7Very high134 Ų134101.2 Ų101.258%0.58351%0.512SS*.Hα-helixtrans-60.3-50.1174.2-176.2-174.7173.5-168.80111.1S217 E218 L223 N224 E225S217-K221 PolarHBondContact O-N 3.34Å; E218-K221 WeakPolarHBondContact O-CB 3.38Å; E218-K221 PolarHBondContact O-N 3.22Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.01Å; K221-N224 PolarHBondContact O-N 3.33Å; K221-N224 VanDerWaalsContact O-N 3.12Å; K221-E225 WeakPolarHBondContact CE-OE1 3.31Å; K221-E225 PolarHBondContact O-N 3.42Å
222H96.9Very high96.5Very high102 Ų10297.2 Ų97.247%0.47250%0.502SS..Hα-helixtrans-61.3-40.6179.2-169.5-18.1000111.9E218 K219 N224 E225 Q226E218-H222 PolarHBondContact O-N 3.46Å; K219-H222 PolarHBondContact O-N 3.32Å; H222-N224 VanDerWaalsContact C-N 3.31Å; H222-N224 PolarHBondContact O-N 3.05Å; H222-E225 PolarHBondContact O-N 3.48Å; H222-Q226 PolarHBondContact CE1-NE2 3.03Å; H222-Q226 PolarHBondContact O-N 3.4Å
223L97.2Very high96.3Very high82 Ų8297.3 Ų97.343%0.42950%0.504SS..Hα-helixtrans-60.5-41175.4178.964.1000111.7K219 T220 K221 Q226 K227K219-L223 WeakPolarHBondContact O-CB 3.5Å; K219-L223 PolarHBondContact O-N 3.1Å; T220-L223 PolarHBondContact O-N 3.27Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.01Å; L223-Q226 PolarHBondContact O-N 2.93Å; L223-K227 HydrophobicContact CG-CD 4.48Å; L223-K227 WeakPolarHBondContact O-CG 3.44Å; L223-K227 PolarHBondContact O-N 3.3Å
224N96.2Very high96.1Very high78 Ų7896.4 Ų96.442%0.41750%0.5SS..Hα-helixtrans-67.5-39.2178-71.7-24.8000112T220 K221 H222 K227 L228T220-N224 PolarHBondContact O-N 3.02Å; T220-N224 PolarHBondContact O-ND2 3.32Å; K221-N224 PolarHBondContact O-N 3.33Å; K221-N224 VanDerWaalsContact O-N 3.12Å; H222-N224 VanDerWaalsContact C-N 3.31Å; H222-N224 PolarHBondContact O-N 3.05Å; N224-K227 PolarHBondContact O-N 2.91Å; N224-L228 WeakPolarHBondContact O-CG 3.34Å; N224-L228 PolarHBondContact O-N 2.85Å
225E96.4Very high95.8Very high95 Ų9599.2 Ų99.244%0.44451%0.505SS..Hα-helixtrans-62.3-41.5173.4-69.9170.5-178.200112.1K221 H222 L228 S229K221-E225 WeakPolarHBondContact CE-OE1 3.31Å; K221-E225 PolarHBondContact O-N 3.42Å; H222-E225 PolarHBondContact O-N 3.48Å; E225-L228 PolarHBondContact O-N 3.02Å; E225-S229 WeakPolarHBondContact O-CB 3.23Å; E225-S229 PolarHBondContact O-N 3.11Å; E225-S229 PolarHBondContact O-OG 3.31Å
226Q96.2Very high95.4Very high110 Ų110100.1 Ų100.151%0.51451%0.513SS..Hα-helixtrans-65.1-41.1174.3-76.5-178.4-2800112.2H222 L223 S229 L230H222-Q226 PolarHBondContact CE1-NE2 3.03Å; H222-Q226 PolarHBondContact O-N 3.4Å; L223-Q226 PolarHBondContact O-N 2.93Å; Q226-S229 PolarHBondContact O-N 3.28Å; Q226-L230 WeakPolarHBondContact O-CB 3.06Å; Q226-L230 PolarHBondContact O-N 3.38Å
227K95.4Very high95Very high115 Ų115100 Ų10050%0.551%0.51SS..Hα-helixtrans-60.4-44.5174.6-77.3173.8178.1176.50111.6L223 N224 S229 L230 V231L223-K227 HydrophobicContact CG-CD 4.48Å; L223-K227 WeakPolarHBondContact O-CG 3.44Å; L223-K227 PolarHBondContact O-N 3.3Å; N224-K227 PolarHBondContact O-N 2.91Å; K227-S229 VanDerWaalsContact C-N 3.33Å; K227-S229 PolarHBondContact O-N 2.95Å; K227-L230 PolarHBondContact O-N 2.99Å; K227-V231 WeakPolarHBondContact O-CG2 3.38Å; K227-V231 PolarHBondContact O-N 3.43Å
228L95.4Very high94.6Very high126 Ų126101 Ų10166%0.6651%0.509SS*.Hα-helixtrans-61.4-42.4175.6-71.9171.2000111.6N224 E225 L230 V231 S232N224-L228 WeakPolarHBondContact O-CG 3.34Å; N224-L228 PolarHBondContact O-N 2.85Å; E225-L228 PolarHBondContact O-N 3.02Å; L228-L230 VanDerWaalsContact C-N 3.35Å; L228-L230 PolarHBondContact O-N 3.5Å; L228-V231 PolarHBondContact O-N 3.24Å; L228-S232 PolarHBondContact O-N 3.03Å; L228-S232 PolarHBondContact O-OG 3.37Å
229S94.7Very high94.1Very high62 Ų6298.7 Ų98.743%0.43450%0.501SS..Hα-helixtrans-65.4-36.8176.6-570000112.5E225 Q226 K227 S232 L233E225-S229 WeakPolarHBondContact O-CB 3.23Å; E225-S229 PolarHBondContact O-N 3.11Å; E225-S229 PolarHBondContact O-OG 3.31Å; Q226-S229 PolarHBondContact O-N 3.28Å; K227-S229 VanDerWaalsContact C-N 3.33Å; K227-S229 PolarHBondContact O-N 2.95Å; S229-S232 WeakPolarHBondContact CA-OG 3.19Å; S229-S232 PolarHBondContact O-OG 3.48Å; S229-L233 WeakPolarHBondContact O-CB 3.45Å; S229-L233 VanDerWaalsContact O-CG 3.28Å; S229-L233 WeakPolarHBondContact O-CG 3.49Å; S229-L233 PolarHBondContact O-N 3.33Å
230L95.1Very high93.5Very high98 Ų9896 Ų9651%0.51349%0.493SS..Hα-helixtrans-66.1-40.5175.2-172.1105.8000111.3Q226 K227 L228 K234Q226-L230 WeakPolarHBondContact O-CB 3.06Å; Q226-L230 PolarHBondContact O-N 3.38Å; K227-L230 PolarHBondContact O-N 2.99Å; L228-L230 VanDerWaalsContact C-N 3.35Å; L228-L230 PolarHBondContact O-N 3.5Å; L230-K234 HydrophobicContact CD2-CD 4.41Å; L230-K234 WeakPolarHBondContact O-CB 3.49Å; L230-K234 WeakPolarHBondContact O-CG 3.32Å; L230-K234 PolarHBondContact O-N 2.89Å
231V94.7Very high92.9Very high78 Ų7898 Ų9847%0.47350%0.496SS..Hα-helixtrans-63.2-48.1176172.20000110.3K227 L228 L233 K234 E235K227-V231 WeakPolarHBondContact O-CG2 3.38Å; K227-V231 PolarHBondContact O-N 3.43Å; L228-V231 PolarHBondContact O-N 3.24Å; V231-L233 PolarHBondContact O-N 3.21Å; V231-K234 PolarHBondContact O-N 3.07Å; V231-E235 PolarHBondContact O-N 3.16Å
232S93.4Very high92.1Very high57 Ų5796 Ų9640%0.39950%0.5SS..Hα-helixtrans-64.7-38.2178.8660000112.6L228 S229 E235 V236L228-S232 PolarHBondContact O-N 3.03Å; L228-S232 PolarHBondContact O-OG 3.37Å; S229-S232 WeakPolarHBondContact CA-OG 3.19Å; S229-S232 PolarHBondContact O-OG 3.48Å; S232-E235 PolarHBondContact O-N 3.3Å; S232-V236 WeakPolarHBondContact O-CG2 3.44Å; S232-V236 PolarHBondContact O-N 2.84Å
233L93.9Very high91.2Very high117 Ų11797.8 Ų97.861%0.61351%0.506SS*.Hα-helixtrans-65.7-38.4174-77.1170.9000112.4S229 V231 V236 E237S229-L233 WeakPolarHBondContact O-CB 3.45Å; S229-L233 VanDerWaalsContact O-CG 3.28Å; S229-L233 WeakPolarHBondContact O-CG 3.49Å; S229-L233 PolarHBondContact O-N 3.33Å; V231-L233 PolarHBondContact O-N 3.21Å; L233-V236 PolarHBondContact O-N 3.47Å; L233-E237 WeakPolarHBondContact O-CB 3.38Å; L233-E237 PolarHBondContact O-N 3.3Å
234K92.2Very high90Very high115 Ų11599.7 Ų99.750%0.552%0.515SS..Hα-helixtrans-63.8-42172.9-84.8177.4172.31790112L230 V231 V236 E237 D238L230-K234 HydrophobicContact CD2-CD 4.41Å; L230-K234 WeakPolarHBondContact O-CB 3.49Å; L230-K234 WeakPolarHBondContact O-CG 3.32Å; L230-K234 PolarHBondContact O-N 2.89Å; V231-K234 PolarHBondContact O-N 3.07Å; K234-V236 VanDerWaalsContact C-N 3.28Å; K234-V236 PolarHBondContact O-N 2.9Å; K234-E237 WeakPolarHBondContact O-CB 3.35Å; K234-E237 PolarHBondContact O-N 3.42Å; K234-D238 WeakPolarHBondContact O-CB 3.38Å; K234-D238 PolarHBondContact O-N 3.14Å
235E91.8Very high88.4Confident131 Ų13199.6 Ų99.661%0.61252%0.517SS*.Hα-helixtrans-60.1-39.8173.6-73.2178175.500111.8V231 S232 N239V231-E235 PolarHBondContact O-N 3.16Å; S232-E235 PolarHBondContact O-N 3.3Å; E235-N239 VanDerWaalsContact O-CB 3.24Å; E235-N239 WeakPolarHBondContact O-CB 3.36Å; E235-N239 PolarHBondContact O-N 3.39Å
236V89.8Confident86.9Confident79 Ų79103.3 Ų103.348%0.47954%0.54SS..Hα-helixtrans-66.9-42.1173.9173.20000111.3S232 L233 K234 N239 L240S232-V236 WeakPolarHBondContact O-CG2 3.44Å; S232-V236 PolarHBondContact O-N 2.84Å; L233-V236 PolarHBondContact O-N 3.47Å; K234-V236 VanDerWaalsContact C-N 3.28Å; K234-V236 PolarHBondContact O-N 2.9Å; V236-N239 PolarHBondContact O-N 2.79Å; V236-L240 HydrophobicContact CG1-CD1 3.92Å; V236-L240 HydrophobicContact CG1-CG 4.3Å; V236-L240 WeakPolarHBondContact O-CB 3.38Å; V236-L240 VanDerWaalsContact O-CG 3.28Å; V236-L240 WeakPolarHBondContact O-CG 3.26Å; V236-L240 PolarHBondContact O-N 3.41Å
237E89.6Confident85.3Confident92 Ų9299.6 Ų99.643%0.4353%0.526SS..Hα-helixtrans-59.9-48.2175.8-171.3-168.2171.500111.1L233 K234 N239 L240 K241L233-E237 WeakPolarHBondContact O-CB 3.38Å; L233-E237 PolarHBondContact O-N 3.3Å; K234-E237 WeakPolarHBondContact O-CB 3.35Å; K234-E237 PolarHBondContact O-N 3.42Å; E237-N239 PolarHBondContact O-N 3.06Å; E237-L240 PolarHBondContact O-N 3.32Å; E237-K241 HydrophobicContact CG-CD 4.44Å; E237-K241 WeakPolarHBondContact O-CB 3.22Å; E237-K241 WeakPolarHBondContact O-CG 3.3Å; E237-K241 PolarHBondContact O-N 2.92Å; E237-K241 WeakPolarHBondContact OE1-CE 3.39Å; E237-K241 IonicContact OE1-NZ 2.98Å; E237-K241 PolarHBondContact OE1-NZ 2.84Å
238D87.6Confident83.8Confident100 Ų10099.1 Ų99.154%0.53554%0.535SS..Hα-helixtrans-64.4-40.3178.8-72.5-20.5000111.3K234 K241 S242K234-D238 WeakPolarHBondContact O-CB 3.38Å; K234-D238 PolarHBondContact O-N 3.14Å; D238-K241 PolarHBondContact O-N 3.3Å; D238-S242 PolarHBondContact O-N 2.66Å
239N87.9Confident82.6Confident83 Ų83100.1 Ų100.144%0.44454%0.536SS..Hα-helixtrans-62.7-43.1172.5-170.8-32.2000111.6E235 V236 E237 S242 K243E235-N239 VanDerWaalsContact O-CB 3.24Å; E235-N239 WeakPolarHBondContact O-CB 3.36Å; E235-N239 PolarHBondContact O-N 3.39Å; V236-N239 PolarHBondContact O-N 2.79Å; E237-N239 PolarHBondContact O-N 3.06Å; N239-S242 PolarHBondContact O-N 2.98Å; N239-S242 PolarHBondContact O-OG 3.49Å; N239-K243 PolarHBondContact O-N 3.03Å; N239-K243 WeakPolarHBondContact OD1-CE 3.31Å; N239-K243 PolarHBondContact OD1-NZ 2.88Å
240L85.7Confident81.4Confident94 Ų94104.7 Ų104.749%0.49255%0.548SS..Hα-helixtrans-67.4-42.2176.1-73.7173.2000112.2V236 E237 S242 K243 I244V236-L240 HydrophobicContact CG1-CD1 3.92Å; V236-L240 HydrophobicContact CG1-CG 4.3Å; V236-L240 WeakPolarHBondContact O-CB 3.38Å; V236-L240 VanDerWaalsContact O-CG 3.28Å; V236-L240 WeakPolarHBondContact O-CG 3.26Å; V236-L240 PolarHBondContact O-N 3.41Å; E237-L240 PolarHBondContact O-N 3.32Å; L240-S242 PolarHBondContact O-N 3.01Å; L240-K243 CarbonylContact O-C 3.37Å; L240-K243 WeakPolarHBondContact O-CA 3.32Å; L240-K243 WeakPolarHBondContact O-CB 3.36Å; L240-K243 PolarHBondContact O-N 3.33Å; L240-I244 PolarHBondContact O-N 3.42Å
241K83.3Confident80.1Confident109 Ų109104.6 Ų104.647%0.47455%0.548SS..Hα-helixtrans-56.5-40.7172.8-79.4177.4-176.5160.60111.2E237 D238 K243 I244E237-K241 HydrophobicContact CG-CD 4.44Å; E237-K241 WeakPolarHBondContact O-CB 3.22Å; E237-K241 WeakPolarHBondContact O-CG 3.3Å; E237-K241 PolarHBondContact O-N 2.92Å; E237-K241 WeakPolarHBondContact OE1-CE 3.39Å; E237-K241 IonicContact OE1-NZ 2.98Å; E237-K241 PolarHBondContact OE1-NZ 2.84Å; D238-K241 PolarHBondContact O-N 3.3Å; K241-K243 PolarHBondContact O-N 2.97Å; K241-I244 PolarHBondContact O-N 3.37Å; K241-I244 VanDerWaalsContact O-N 3.15Å
242S80.3Confident79.2Confident94 Ų94107.6 Ų107.666%0.65755%0.554SS**Hα-helixtrans-62.9-21.3174.283.20000114.1D238 N239 L240D238-S242 PolarHBondContact O-N 2.66Å; N239-S242 PolarHBondContact O-N 2.98Å; N239-S242 PolarHBondContact O-OG 3.49Å; L240-S242 PolarHBondContact O-N 3.01Å
243K78Confident78.3Confident139 Ų139110.1 Ų110.160%0.60456%0.563SS**Hα-helixtrans-94-15.5176.4-66.5174-178.4168.40113.7N239 L240 K241 V245N239-K243 PolarHBondContact O-N 3.03Å; N239-K243 WeakPolarHBondContact OD1-CE 3.31Å; N239-K243 PolarHBondContact OD1-NZ 2.88Å; L240-K243 CarbonylContact O-C 3.37Å; L240-K243 WeakPolarHBondContact O-CA 3.32Å; L240-K243 WeakPolarHBondContact O-CB 3.36Å; L240-K243 PolarHBondContact O-N 3.33Å; K241-K243 PolarHBondContact O-N 2.97Å; K243-V245 PolarHBondContact O-N 3.2Å
244I73.3Confident77.5Confident122 Ų122111.9 Ų111.963%0.62656%0.563SS**SBendtrans-71.9112.9174.6-66.5171.1000107.1L240 K241 D246L240-I244 PolarHBondContact O-N 3.42Å; K241-I244 PolarHBondContact O-N 3.37Å; K241-I244 VanDerWaalsContact O-N 3.15Å; I244-D246 PolarHBondContact O-N 3.4Å
245V60.8Low76.8Confident75 Ų75113 Ų11346%0.45557%0.568SS.*  trans-70.2125.3179.7174.80000109.7K243 S247 L251K243-V245 PolarHBondContact O-N 3.2Å; V245-S247 PolarHBondContact O-N 2.88Å; V245-L251 HydrophobicContact CB-CD1 4.39Å; V245-L251 HydrophobicContact CG1-CD1 4.31Å; V245-L251 HydrophobicContact CG2-CD1 3.94Å
246D65.2Low76.3Confident173 Ų173110.7 Ų110.793%0.92556%0.56SS**SBendtrans-52-14.7-175.8-70.1-38.3000115.8I244I244-D246 PolarHBondContact O-N 3.4Å
247S63Low75.9Confident32 Ų32114.6 Ų114.622%0.22457%0.57CS.*  trans-146.3105177-178.10000111.6V245 E249 K250 L251V245-S247 PolarHBondContact O-N 2.88Å; S247-E249 PolarHBondContact O-N 3.03Å; S247-K250 WeakPolarHBondContact O-CB 3.49Å; S247-K250 PolarHBondContact O-N 3.38Å; S247-K250 VanDerWaalsContact O-N 3.1Å; S247-L251 PolarHBondContact O-N 3.31Å
248P64.3Low75.5Confident105 Ų105114.1 Ų114.168%0.68257%0.569SS**Hα-helixtrans-62.5-27.7177.819.7-29000112.9L251 K252P248-L251 PolarHBondContact O-N 2.77Å; P248-K252 WeakPolarHBondContact O-CB 3.04Å; P248-K252 PolarHBondContact O-N 2.9Å
249E69.2Low75.3Confident148 Ų148116.1 Ų116.169%0.69257%0.573SS**Hα-helixtrans-64-42172.2-80.4-166.8149.200112.5S247 L251 K252 N253S247-E249 PolarHBondContact O-N 3.03Å; E249-L251 VanDerWaalsContact C-N 3.28Å; E249-L251 PolarHBondContact O-N 3.26Å; E249-K252 PolarHBondContact O-N 2.84Å; E249-N253 WeakPolarHBondContact O-CB 3.32Å; E249-N253 PolarHBondContact O-N 3.32Å
250K70.5Confident74.9Confident157 Ų157113.6 Ų113.668%0.68357%0.567SS**Hα-helixtrans-60.6-41.4175.4-70.1-177.4-174.9173.80110.8S247 Y254S247-K250 WeakPolarHBondContact O-CB 3.49Å; S247-K250 PolarHBondContact O-N 3.38Å; S247-K250 VanDerWaalsContact O-N 3.1Å; K250-Y254 VanDerWaalsContact O-CB 3.25Å; K250-Y254 WeakPolarHBondContact O-CB 3.42Å; K250-Y254 PolarHBondContact O-N 3.44Å
251L67.6Low74.7Confident96 Ų96112.6 Ų112.650%0.50356%0.564SS.*Hα-helixtrans-67.3-43.6178.3-159.489.1000112.2V245 S247 P248 E249 Y254 K255V245-L251 HydrophobicContact CB-CD1 4.39Å; V245-L251 HydrophobicContact CG1-CD1 4.31Å; V245-L251 HydrophobicContact CG2-CD1 3.94Å; S247-L251 PolarHBondContact O-N 3.31Å; P248-L251 PolarHBondContact O-N 2.77Å; E249-L251 VanDerWaalsContact C-N 3.28Å; E249-L251 PolarHBondContact O-N 3.26Å; L251-Y254 PolarHBondContact O-N 3.24Å; L251-K255 WeakPolarHBondContact O-CB 3.18Å; L251-K255 PolarHBondContact O-N 3.42Å
252K74.9Confident74.7Confident142 Ų142110.4 Ų110.462%0.61756%0.56SS**Hα-helixtrans-64-47.5177.6-173.7179.6177.8-175.30111.1P248 E249 Y254 K255 D256P248-K252 WeakPolarHBondContact O-CB 3.04Å; P248-K252 PolarHBondContact O-N 2.9Å; E249-K252 PolarHBondContact O-N 2.84Å; K252-Y254 VanDerWaalsContact C-N 3.29Å; K252-Y254 PolarHBondContact O-N 3.44Å; K252-K255 PolarHBondContact O-N 3.26Å; K252-D256 WeakPolarHBondContact O-CB 3.47Å; K252-D256 PolarHBondContact O-N 3.5Å
253N76.3Confident74.9Confident110 Ų110112 Ų11259%0.58856%0.557SS**Hα-helixtrans-59.9-39.6174.4-86.7-22.7000112E249 K257E249-N253 WeakPolarHBondContact O-CB 3.32Å; E249-N253 PolarHBondContact O-N 3.32Å; N253-K257 VanDerWaalsContact O-CB 3.26Å; N253-K257 WeakPolarHBondContact O-CB 3.34Å; N253-K257 PolarHBondContact O-N 2.89Å
254Y75.7Confident75.1Confident154 Ų154112.9 Ų112.960%0.60456%0.561SS**Hα-helixtrans-65.3-45175-173.6-95.9000111.8K250 L251 K252 K257 M258K250-Y254 VanDerWaalsContact O-CB 3.25Å; K250-Y254 WeakPolarHBondContact O-CB 3.42Å; K250-Y254 PolarHBondContact O-N 3.44Å; L251-Y254 PolarHBondContact O-N 3.24Å; K252-Y254 VanDerWaalsContact C-N 3.29Å; K252-Y254 PolarHBondContact O-N 3.44Å; Y254-K257 PolarHBondContact O-N 3.03Å; Y254-M258 HydrophobicContact CE1-CE 3.65Å; Y254-M258 HydrophobicContact CE2-CE 4.19Å; Y254-M258 VanDerWaalsContact CZ-CE 3.43Å; Y254-M258 VanDerWaalsContact O-CB 3.29Å; Y254-M258 WeakPolarHBondContact O-CB 3.36Å; Y254-M258 PolarHBondContact O-N 3.13Å; Y254-M258 WeakPolarHBondContact OH-CE 3.47Å
255K79.1Confident75.5Confident139 Ų139112 Ų11260%0.60456%0.557SS**Hα-helixtrans-64.6-41.9178.4-167.6178.5-175.9176.70112L251 K252 M258 K259L251-K255 WeakPolarHBondContact O-CB 3.18Å; L251-K255 PolarHBondContact O-N 3.42Å; K252-K255 PolarHBondContact O-N 3.26Å; K255-M258 PolarHBondContact O-N 3.02Å; K255-K259 WeakPolarHBondContact O-CB 3.31Å; K255-K259 PolarHBondContact O-N 3.24Å
256D81.1Confident76.6Confident81 Ų81116.5 Ų116.543%0.43357%0.566SS.*Hα-helixtrans-72.7-39.1178.6-73.5-22.8000111.7K252 M258 K259 G260K252-D256 WeakPolarHBondContact O-CB 3.47Å; K252-D256 PolarHBondContact O-N 3.5Å; D256-M258 VanDerWaalsContact C-N 3.32Å; D256-M258 PolarHBondContact O-N 3.3Å; D256-K259 PolarHBondContact O-N 2.99Å; D256-G260 PolarHBondContact O-N 3.29Å
257K80.5Confident77.4Confident162 Ų162111.3 Ų111.370%0.70454%0.543SS*.Hα-helixtrans-57.8-45.9166.7-93.2-176.8172.5176.80111N253 Y254 G260 T261N253-K257 VanDerWaalsContact O-CB 3.26Å; N253-K257 WeakPolarHBondContact O-CB 3.34Å; N253-K257 PolarHBondContact O-N 2.89Å; Y254-K257 PolarHBondContact O-N 3.03Å; K257-G260 PolarHBondContact O-N 2.79Å; K257-T261 WeakPolarHBondContact O-CB 3.41Å; K257-T261 PolarHBondContact O-N 3.47Å; K257-T261 PolarHBondContact O-OG1 2.93Å
258M82.2Confident78.4Confident81 Ų81111.7 Ų111.740%0.39955%0.548SS..Hα-helixtrans-66.1-44.3-179.1-163.266.17200111.5Y254 K255 D256 G260 T261 V262Y254-M258 HydrophobicContact CE1-CE 3.65Å; Y254-M258 HydrophobicContact CE2-CE 4.19Å; Y254-M258 VanDerWaalsContact CZ-CE 3.43Å; Y254-M258 VanDerWaalsContact O-CB 3.29Å; Y254-M258 WeakPolarHBondContact O-CB 3.36Å; Y254-M258 PolarHBondContact O-N 3.13Å; Y254-M258 WeakPolarHBondContact OH-CE 3.47Å; K255-M258 PolarHBondContact O-N 3.02Å; D256-M258 VanDerWaalsContact C-N 3.32Å; D256-M258 PolarHBondContact O-N 3.3Å; M258-G260 PolarHBondContact O-N 3.2Å; M258-T261 PolarHBondContact O-N 3.19Å; M258-V262 WeakPolarHBondContact O-CB 3.09Å; M258-V262 VanDerWaalsContact O-CG2 3.28Å; M258-V262 WeakPolarHBondContact O-CG2 3.2Å; M258-V262 PolarHBondContact O-N 3.45Å
259K81.9Confident79.3Confident142 Ų142115.9 Ų115.962%0.61755%0.55SS**Hα-helixtrans-58.8-47173-109.3-174.7174.9-175.80111.2K255 D256 T261 V262 Q263K255-K259 WeakPolarHBondContact O-CB 3.31Å; K255-K259 PolarHBondContact O-N 3.24Å; D256-K259 PolarHBondContact O-N 2.99Å; K259-T261 VanDerWaalsContact C-N 3.32Å; K259-T261 PolarHBondContact O-N 2.95Å; K259-V262 PolarHBondContact O-N 2.96Å; K259-Q263 WeakPolarHBondContact O-CB 3.42Å; K259-Q263 PolarHBondContact O-N 2.85Å
260G80.7Confident80Confident31 Ų31113.2 Ų113.232%0.3254%0.544SS..Hα-helixtrans-59.1-43175.900000112D256 K257 M258 Q263 K264D256-G260 PolarHBondContact O-N 3.29Å; K257-G260 PolarHBondContact O-N 2.79Å; M258-G260 PolarHBondContact O-N 3.2Å; G260-Q263 PolarHBondContact O-N 3.09Å; G260-K264 VanDerWaalsContact O-CB 3.28Å; G260-K264 WeakPolarHBondContact O-CB 3.29Å; G260-K264 VanDerWaalsContact O-CG 3.27Å; G260-K264 WeakPolarHBondContact O-CG 3Å; G260-K264 PolarHBondContact O-N 3.01Å
261T81.9Confident80.5Confident72 Ų72108.9 Ų108.944%0.44253%0.533SS..Hα-helixtrans-64.9-45.6175.4-59.10000111.5K257 M258 K259 Q263 K264 L265K257-T261 WeakPolarHBondContact O-CB 3.41Å; K257-T261 PolarHBondContact O-N 3.47Å; K257-T261 PolarHBondContact O-OG1 2.93Å; M258-T261 PolarHBondContact O-N 3.19Å; K259-T261 VanDerWaalsContact C-N 3.32Å; K259-T261 PolarHBondContact O-N 2.95Å; T261-Q263 PolarHBondContact O-N 3.16Å; T261-K264 PolarHBondContact O-N 3.45Å; T261-L265 HydrophobicContact CG2-CD1 3.96Å; T261-L265 HydrophobicContact CG2-CG 4.45Å; T261-L265 VanDerWaalsContact O-CB 3.31Å; T261-L265 WeakPolarHBondContact O-CB 3.26Å; T261-L265 VanDerWaalsContact O-CG 3.23Å; T261-L265 WeakPolarHBondContact O-CG 3.25Å; T261-L265 PolarHBondContact O-N 2.94Å
262V82.4Confident81.2Confident64 Ų64111.8 Ų111.839%0.38854%0.538SS..Hα-helixtrans-61.8-44176.4170.20000111.2M258 K259 L265 R266M258-V262 WeakPolarHBondContact O-CB 3.09Å; M258-V262 VanDerWaalsContact O-CG2 3.28Å; M258-V262 WeakPolarHBondContact O-CG2 3.2Å; M258-V262 PolarHBondContact O-N 3.45Å; K259-V262 PolarHBondContact O-N 2.96Å; V262-L265 PolarHBondContact O-N 3.46Å; V262-R266 WeakPolarHBondContact O-CB 3.43Å; V262-R266 WeakPolarHBondContact O-CG 3.26Å; V262-R266 PolarHBondContact O-N 2.85Å
263Q83.9Confident81.4Confident128 Ų128110.7 Ų110.760%0.59853%0.533SS*.Hα-helixtrans-66.6-46.1179.1-16387.2400110.9K259 G260 T261 L265 R266 S267K259-Q263 WeakPolarHBondContact O-CB 3.42Å; K259-Q263 PolarHBondContact O-N 2.85Å; G260-Q263 PolarHBondContact O-N 3.09Å; T261-Q263 PolarHBondContact O-N 3.16Å; Q263-L265 VanDerWaalsContact C-N 3.32Å; Q263-L265 PolarHBondContact O-N 3.46Å; Q263-R266 WeakPolarHBondContact O-CB 3.35Å; Q263-R266 PolarHBondContact O-N 2.95Å; Q263-S267 PolarHBondContact O-N 3.47Å; Q263-S267 PolarHBondContact O-OG 3.26Å
264K82.9Confident81.7Confident157 Ų157109 Ų10968%0.68353%0.527SS*.Hα-helixtrans-59.4-41.5174.3-79-179.7179.5-176.90111.8G260 T261 S267 A268G260-K264 VanDerWaalsContact O-CB 3.28Å; G260-K264 WeakPolarHBondContact O-CB 3.29Å; G260-K264 VanDerWaalsContact O-CG 3.27Å; G260-K264 WeakPolarHBondContact O-CG 3Å; G260-K264 PolarHBondContact O-N 3.01Å; T261-K264 PolarHBondContact O-N 3.45Å; K264-S267 WeakPolarHBondContact CA-OG 3.47Å; K264-S267 PolarHBondContact O-OG 3.35Å; K264-A268 WeakPolarHBondContact O-CB 3.3Å; K264-A268 PolarHBondContact O-N 2.92Å
265L82.5Confident82Confident104 Ų104106.8 Ų106.855%0.54553%0.525SS..Hα-helixtrans-66.9-38.1175.9-75.4170.8000111.7T261 V262 Q263 R269T261-L265 HydrophobicContact CG2-CD1 3.96Å; T261-L265 HydrophobicContact CG2-CG 4.45Å; T261-L265 VanDerWaalsContact O-CB 3.31Å; T261-L265 WeakPolarHBondContact O-CB 3.26Å; T261-L265 VanDerWaalsContact O-CG 3.23Å; T261-L265 WeakPolarHBondContact O-CG 3.25Å; T261-L265 PolarHBondContact O-N 2.94Å; V262-L265 PolarHBondContact O-N 3.46Å; Q263-L265 VanDerWaalsContact C-N 3.32Å; Q263-L265 PolarHBondContact O-N 3.46Å; L265-R269 VanDerWaalsContact O-CB 3.23Å; L265-R269 WeakPolarHBondContact O-CB 3.37Å; L265-R269 PolarHBondContact O-N 2.95Å
266R83.2Confident82.2Confident168 Ų168107 Ų10763%0.63452%0.522SS*.Hα-helixtrans-65.7-49.6174-81.8-177.7176.4179.3-1.8112.1V262 Q263 R269 V270V262-R266 WeakPolarHBondContact O-CB 3.43Å; V262-R266 WeakPolarHBondContact O-CG 3.26Å; V262-R266 PolarHBondContact O-N 2.85Å; Q263-R266 WeakPolarHBondContact O-CB 3.35Å; Q263-R266 PolarHBondContact O-N 2.95Å; R266-R269 WeakPolarHBondContact O-CB 3.33Å; R266-R269 PolarHBondContact O-N 3.35Å; R266-R269 VanDerWaalsContact O-N 3.14Å; R266-V270 WeakPolarHBondContact O-CG2 3.34Å; R266-V270 PolarHBondContact O-N 2.9Å
267S82.7Confident82.3Confident64 Ų64107.7 Ų107.745%0.44852%0.523SS..Hα-helixtrans-65.4-42.2178.349.20000111.4Q263 K264 R269 V270 S271Q263-S267 PolarHBondContact O-N 3.47Å; Q263-S267 PolarHBondContact O-OG 3.26Å; K264-S267 WeakPolarHBondContact CA-OG 3.47Å; K264-S267 PolarHBondContact O-OG 3.35Å; S267-R269 PolarHBondContact O-N 2.9Å; S267-V270 PolarHBondContact O-N 3.43Å; S267-S271 WeakPolarHBondContact O-CB 3.44Å; S267-S271 PolarHBondContact O-N 3.33Å; S267-S271 PolarHBondContact O-OG 2.93Å; S267-S271 VanDerWaalsContact O-OG 3.11Å
268A83.1Confident82.4Confident40 Ų40103.4 Ų103.433%0.33151%0.513SS..Hα-helixtrans-63-29.5172.600000113K264 R272K264-A268 WeakPolarHBondContact O-CB 3.3Å; K264-A268 PolarHBondContact O-N 2.92Å; A268-R272 VanDerWaalsContact O-CB 3.25Å; A268-R272 WeakPolarHBondContact O-CB 3.27Å; A268-R272 VanDerWaalsContact O-CG 3.29Å; A268-R272 WeakPolarHBondContact O-CG 3.5Å; A268-R272 PolarHBondContact O-N 3.46Å; A268-R272 VanDerWaalsContact O-N 3.1Å; A268-R272 PolarHBondContact O-NE 3.43Å
269R82.9Confident82.4Confident193 Ų193104.2 Ų104.273%0.72852%0.519SS*.Hα-helixtrans-69.5-46.5172.7-175.6-178.8-173.1169.32.6110.8L265 R266 S267 R272 F273L265-R269 VanDerWaalsContact O-CB 3.23Å; L265-R269 WeakPolarHBondContact O-CB 3.37Å; L265-R269 PolarHBondContact O-N 2.95Å; R266-R269 WeakPolarHBondContact O-CB 3.33Å; R266-R269 PolarHBondContact O-N 3.35Å; R266-R269 VanDerWaalsContact O-N 3.14Å; S267-R269 PolarHBondContact O-N 2.9Å; R269-R272 PolarHBondContact O-N 2.78Å; R269-F273 VanDerWaalsContact O-CB 3.31Å; R269-F273 WeakPolarHBondContact O-CB 3.33Å; R269-F273 PolarHBondContact O-N 3.44Å
270V84.5Confident82.4Confident93 Ų93101 Ų10156%0.56451%0.508SS*.Hα-helixtrans-64.3-47.2178.1174.60000111.1R266 S267 R272 F273 T274R266-V270 WeakPolarHBondContact O-CG2 3.34Å; R266-V270 PolarHBondContact O-N 2.9Å; S267-V270 PolarHBondContact O-N 3.43Å; V270-R272 VanDerWaalsContact C-N 3.34Å; V270-R272 PolarHBondContact O-N 3.46Å; V270-F273 WeakPolarHBondContact O-CB 3.46Å; V270-F273 PolarHBondContact O-N 2.92Å; V270-F273 VanDerWaalsContact O-N 3.1Å; V270-T274 PolarHBondContact O-N 2.98Å; V270-T274 PolarHBondContact O-OG1 3.36Å
271S80.8Confident82.5Confident65 Ų65107.3 Ų107.346%0.45552%0.523SS..Hα-helixtrans-62.9-38.5177.9-58.90000112.6S267 T274 L275S267-S271 WeakPolarHBondContact O-CB 3.44Å; S267-S271 PolarHBondContact O-N 3.33Å; S267-S271 PolarHBondContact O-OG 2.93Å; S267-S271 VanDerWaalsContact O-OG 3.11Å; S271-T274 WeakPolarHBondContact CA-OG1 3.21Å; S271-T274 PolarHBondContact O-OG1 2.94Å; S271-L275 WeakPolarHBondContact O-CB 3.31Å; S271-L275 PolarHBondContact O-N 2.92Å
272R81.1Confident82.5Confident157 Ų157108.8 Ų108.859%0.59253%0.528SS*.Hα-helixtrans-66.7-37.4172.3-82.2-178.5-72.9166.5-6.5112.1A268 R269 V270 L275 W276A268-R272 VanDerWaalsContact O-CB 3.25Å; A268-R272 WeakPolarHBondContact O-CB 3.27Å; A268-R272 VanDerWaalsContact O-CG 3.29Å; A268-R272 WeakPolarHBondContact O-CG 3.5Å; A268-R272 PolarHBondContact O-N 3.46Å; A268-R272 VanDerWaalsContact O-N 3.1Å; A268-R272 PolarHBondContact O-NE 3.43Å; R269-R272 PolarHBondContact O-N 2.78Å; V270-R272 VanDerWaalsContact C-N 3.34Å; V270-R272 PolarHBondContact O-N 3.46Å; R272-L275 PolarHBondContact O-N 2.89Å; R272-W276 WeakPolarHBondContact O-CB 3.43Å; R272-W276 PolarHBondContact O-N 2.86Å
273F80.1Confident82.5Confident120 Ų120109 Ų10953%0.52653%0.529SS..Hα-helixtrans-64.8-42.2176.6-173.9-100.2000111.9R269 V270 W276 H277R269-F273 VanDerWaalsContact O-CB 3.31Å; R269-F273 WeakPolarHBondContact O-CB 3.33Å; R269-F273 PolarHBondContact O-N 3.44Å; V270-F273 WeakPolarHBondContact O-CB 3.46Å; V270-F273 PolarHBondContact O-N 2.92Å; V270-F273 VanDerWaalsContact O-N 3.1Å; F273-W276 PolarHBondContact O-N 3.23Å; F273-H277 AromaticContact CE1-CD2 3.53Å; F273-H277 AromaticContact CE1-NE2 3.71Å; F273-H277 AromaticContact CZ-CD2 3.58Å; F273-H277 AromaticContact CZ-NE2 3.38Å; F273-H277 WeakPolarHBondContact CZ-NE2 3.47Å; F273-H277 PolarHBondContact O-N 3.49Å
274T81.9Confident82.4Confident74 Ų74105.5 Ų105.545%0.45452%0.519SS..Hα-helixtrans-68.3-41.8175.348.70000112.5V270 S271 W276 H277 S278V270-T274 PolarHBondContact O-N 2.98Å; V270-T274 PolarHBondContact O-OG1 3.36Å; S271-T274 WeakPolarHBondContact CA-OG1 3.21Å; S271-T274 PolarHBondContact O-OG1 2.94Å; T274-W276 VanDerWaalsContact C-N 3.33Å; T274-W276 PolarHBondContact O-N 3.13Å; T274-H277 PolarHBondContact O-N 3.03Å; T274-S278 PolarHBondContact O-N 3.34Å; T274-S278 PolarHBondContact O-OG 3.33Å
275L82.7Confident82.4Confident107 Ų107100.7 Ų100.756%0.5650%0.502SS*.Hα-helixtrans-61.6-42174.5-105.1150.1000111.7S271 R272 S278 L279S271-L275 WeakPolarHBondContact O-CB 3.31Å; S271-L275 PolarHBondContact O-N 2.92Å; R272-L275 PolarHBondContact O-N 2.89Å; L275-S278 PolarHBondContact O-N 2.75Å; L275-L279 HydrophobicContact CD2-CD1 4.43Å; L275-L279 VanDerWaalsContact O-CB 3.31Å; L275-L279 WeakPolarHBondContact O-CB 3.42Å; L275-L279 WeakPolarHBondContact O-CG 3.24Å; L275-L279 PolarHBondContact O-N 2.99Å
276W83.9Confident82.3Confident143 Ų143101.5 Ų101.554%0.54250%0.503SS..Hα-helixtrans-61.6-42175.9179.782.4000111.9R272 F273 T274 N280R272-W276 WeakPolarHBondContact O-CB 3.43Å; R272-W276 PolarHBondContact O-N 2.86Å; F273-W276 PolarHBondContact O-N 3.23Å; T274-W276 VanDerWaalsContact C-N 3.33Å; T274-W276 PolarHBondContact O-N 3.13Å; W276-N280 WeakPolarHBondContact CH2-ND2 3.33Å; W276-N280 WeakPolarHBondContact CZ2-ND2 3.31Å; W276-N280 WeakPolarHBondContact O-CB 3.34Å; W276-N280 PolarHBondContact O-N 3.26Å
277H82.2Confident82.3Confident97 Ų9798 Ų9845%0.44950%0.496SS..Hα-helixtrans-64.7-45174.1-98.2-73.1000113F273 T274 N280 Y281F273-H277 AromaticContact CE1-CD2 3.53Å; F273-H277 AromaticContact CE1-NE2 3.71Å; F273-H277 AromaticContact CZ-CD2 3.58Å; F273-H277 AromaticContact CZ-NE2 3.38Å; F273-H277 WeakPolarHBondContact CZ-NE2 3.47Å; F273-H277 PolarHBondContact O-N 3.49Å; T274-H277 PolarHBondContact O-N 3.03Å; H277-N280 PolarHBondContact O-N 3.25Å; H277-Y281 WeakPolarHBondContact O-CB 3.19Å; H277-Y281 PolarHBondContact O-N 3.13Å
278S82Confident82.2Confident71 Ų7198.7 Ų98.750%0.49750%0.501SS..Hα-helixtrans-64.9-39.8177.7-60.30000112.3T274 L275 Y281 L282T274-S278 PolarHBondContact O-N 3.34Å; T274-S278 PolarHBondContact O-OG 3.33Å; L275-S278 PolarHBondContact O-N 2.75Å; S278-Y281 PolarHBondContact O-N 3.31Å; S278-L282 WeakPolarHBondContact O-CB 3.46Å; S278-L282 PolarHBondContact O-N 3.23Å
279L83.4Confident82.1Confident99 Ų99100.8 Ų100.852%0.51851%0.506SS..Hα-helixtrans-65.1-44.1175-79166.6000111.4L275 Y281 L282 V283L275-L279 HydrophobicContact CD2-CD1 4.43Å; L275-L279 VanDerWaalsContact O-CB 3.31Å; L275-L279 WeakPolarHBondContact O-CB 3.42Å; L275-L279 WeakPolarHBondContact O-CG 3.24Å; L275-L279 PolarHBondContact O-N 2.99Å; L279-Y281 VanDerWaalsContact C-N 3.32Å; L279-Y281 PolarHBondContact O-N 3.03Å; L279-L282 PolarHBondContact O-N 2.81Å; L279-V283 WeakPolarHBondContact O-CB 3.13Å; L279-V283 VanDerWaalsContact O-CG2 3.24Å; L279-V283 WeakPolarHBondContact O-CG2 3.3Å; L279-V283 PolarHBondContact O-N 3Å
280N81.3Confident82Confident73 Ų7397.2 Ų97.239%0.3950%0.501SS..Hα-helixtrans-62.8-39175.3-89.1-28.6000112.4W276 H277 S284W276-N280 WeakPolarHBondContact CH2-ND2 3.33Å; W276-N280 WeakPolarHBondContact CZ2-ND2 3.31Å; W276-N280 WeakPolarHBondContact O-CB 3.34Å; W276-N280 PolarHBondContact O-N 3.26Å; H277-N280 PolarHBondContact O-N 3.25Å; N280-S284 WeakPolarHBondContact O-CB 3.41Å; N280-S284 PolarHBondContact O-N 3.39Å
281Y83.3Confident81.8Confident165 Ų16598.3 Ų98.365%0.64750%0.503SS*.Hα-helixtrans-64.3-47.3174.9-175.8-105.2000111.4H277 S278 L279 V283 S284 V285H277-Y281 WeakPolarHBondContact O-CB 3.19Å; H277-Y281 PolarHBondContact O-N 3.13Å; S278-Y281 PolarHBondContact O-N 3.31Å; L279-Y281 VanDerWaalsContact C-N 3.32Å; L279-Y281 PolarHBondContact O-N 3.03Å; Y281-V283 PolarHBondContact O-N 3.48Å; Y281-S284 PolarHBondContact O-N 2.91Å; Y281-S284 PolarHBondContact O-OG 3.12Å; Y281-V285 HydrophobicContact CD1-CG2 4.42Å; Y281-V285 HydrophobicContact CE1-CG2 4.08Å; Y281-V285 WeakPolarHBondContact O-CG2 3.28Å; Y281-V285 PolarHBondContact O-N 3.39Å
282L81.8Confident81.9Confident103 Ų103101.3 Ų101.354%0.53951%0.509SS..Hα-helixtrans-58.2-47.2174.7-92.7156.8000112.3S278 L279 S284 V285 Q286S278-L282 WeakPolarHBondContact O-CB 3.46Å; S278-L282 PolarHBondContact O-N 3.23Å; L279-L282 PolarHBondContact O-N 2.81Å; L282-S284 VanDerWaalsContact C-N 3.31Å; L282-S284 PolarHBondContact O-N 3.28Å; L282-V285 PolarHBondContact O-N 3.41Å; L282-Q286 VanDerWaalsContact O-CB 3.31Å; L282-Q286 WeakPolarHBondContact O-CB 3.47Å; L282-Q286 PolarHBondContact O-N 3.19Å
283V83.1Confident81.7Confident68 Ų68100.1 Ų100.141%0.41251%0.505SS..Hα-helixtrans-60.3-41.4176.5170.20000110.8L279 Y281 V285 Q286 I287L279-V283 WeakPolarHBondContact O-CB 3.13Å; L279-V283 VanDerWaalsContact O-CG2 3.24Å; L279-V283 WeakPolarHBondContact O-CG2 3.3Å; L279-V283 PolarHBondContact O-N 3Å; Y281-V283 PolarHBondContact O-N 3.48Å; V283-V285 PolarHBondContact O-N 3.09Å; V283-Q286 PolarHBondContact O-N 2.87Å; V283-I287 HydrophobicContact CG1-CD1 3.74Å; V283-I287 HydrophobicContact CG1-CG1 4.35Å; V283-I287 WeakPolarHBondContact O-CB 3.27Å; V283-I287 VanDerWaalsContact O-CG1 3.26Å; V283-I287 WeakPolarHBondContact O-CG1 3.18Å; V283-I287 PolarHBondContact O-N 3.45Å
284S81.8Confident81.6Confident54 Ų5496.9 Ų96.938%0.37850%0.5SS..Hα-helixtrans-63.7-40.4176.677.50000112.7N280 Y281 L282 S288N280-S284 WeakPolarHBondContact O-CB 3.41Å; N280-S284 PolarHBondContact O-N 3.39Å; Y281-S284 PolarHBondContact O-N 2.91Å; Y281-S284 PolarHBondContact O-OG 3.12Å; L282-S284 VanDerWaalsContact C-N 3.31Å; L282-S284 PolarHBondContact O-N 3.28Å; S284-S288 WeakPolarHBondContact O-CB 3.37Å; S284-S288 PolarHBondContact O-N 3.41Å; S284-S288 PolarHBondContact O-OG 3.43Å
285V81.4Confident81.4Confident56 Ų5696.3 Ų96.334%0.33950%0.498SS..Hα-helixtrans-67.3-41.3175.3172.30000110.5Y281 L282 V283 S288 L289Y281-V285 HydrophobicContact CD1-CG2 4.42Å; Y281-V285 HydrophobicContact CE1-CG2 4.08Å; Y281-V285 WeakPolarHBondContact O-CG2 3.28Å; Y281-V285 PolarHBondContact O-N 3.39Å; L282-V285 PolarHBondContact O-N 3.41Å; V283-V285 PolarHBondContact O-N 3.09Å; V285-S288 WeakPolarHBondContact O-CB 3.34Å; V285-S288 PolarHBondContact O-N 2.93Å; V285-L289 HydrophobicContact CG1-CD1 3.91Å; V285-L289 HydrophobicContact CG1-CG 4.41Å; V285-L289 WeakPolarHBondContact O-CG 3.42Å; V285-L289 PolarHBondContact O-N 3.4Å
286Q81.4Confident81.2Confident122 Ų12295.2 Ų95.257%0.5749%0.492SS*.Hα-helixtrans-67.7-40-179-155164.3-0.900111.7L282 V283 S288 L289 L290L282-Q286 VanDerWaalsContact O-CB 3.31Å; L282-Q286 WeakPolarHBondContact O-CB 3.47Å; L282-Q286 PolarHBondContact O-N 3.19Å; V283-Q286 PolarHBondContact O-N 2.87Å; Q286-S288 VanDerWaalsContact C-N 3.35Å; Q286-L289 PolarHBondContact O-N 3.11Å; Q286-L290 WeakPolarHBondContact O-CB 3.39Å; Q286-L290 PolarHBondContact O-N 3.37Å
287I81.9Confident80.9Confident95 Ų9594.1 Ų94.149%0.48750%0.497SS..Hα-helixtrans-63-41.9171.1-69.1167.7000110.7V283 L290 N291V283-I287 HydrophobicContact CG1-CD1 3.74Å; V283-I287 HydrophobicContact CG1-CG1 4.35Å; V283-I287 WeakPolarHBondContact O-CB 3.27Å; V283-I287 VanDerWaalsContact O-CG1 3.26Å; V283-I287 WeakPolarHBondContact O-CG1 3.18Å; V283-I287 PolarHBondContact O-N 3.45Å; I287-L290 PolarHBondContact O-N 3.2Å; I287-N291 WeakPolarHBondContact O-CB 3.27Å; I287-N291 PolarHBondContact O-N 3.13Å
288S81.3Confident80.7Confident77 Ų7796 Ų9654%0.53851%0.506SS..Hα-helixtrans-63.9-42.7178.4-54.50000112.1S284 V285 Q286 F292S284-S288 WeakPolarHBondContact O-CB 3.37Å; S284-S288 PolarHBondContact O-N 3.41Å; S284-S288 PolarHBondContact O-OG 3.43Å; V285-S288 WeakPolarHBondContact O-CB 3.34Å; V285-S288 PolarHBondContact O-N 2.93Å; Q286-S288 VanDerWaalsContact C-N 3.35Å; S288-F292 PolarHBondContact O-N 3.31Å; S288-F292 VanDerWaalsContact O-N 3.12Å
289L82.1Confident80.5Confident84 Ų84100.1 Ų100.144%0.4452%0.515SS..Hα-helixtrans-66.2-42.9174.5-71.2166.3000111.4V285 Q286 N291 F292 Y293V285-L289 HydrophobicContact CG1-CD1 3.91Å; V285-L289 HydrophobicContact CG1-CG 4.41Å; V285-L289 WeakPolarHBondContact O-CG 3.42Å; V285-L289 PolarHBondContact O-N 3.4Å; Q286-L289 PolarHBondContact O-N 3.11Å; L289-N291 VanDerWaalsContact C-N 3.35Å; L289-N291 PolarHBondContact O-N 3.39Å; L289-F292 PolarHBondContact O-N 3.11Å; L289-F292 VanDerWaalsContact O-N 3.16Å; L289-Y293 HydrophobicContact CB-CD2 4.34Å; L289-Y293 HydrophobicContact CD2-CE2 3.91Å; L289-Y293 WeakPolarHBondContact O-CD2 3.17Å; L289-Y293 PolarHBondContact O-N 3.19Å
290L79.8Confident80.2Confident118 Ų118103.3 Ų103.362%0.61852%0.521SS*.Hα-helixtrans-59.9-45.9176.5-122.6101.1000111.4Q286 I287 F292 Y293 A294Q286-L290 WeakPolarHBondContact O-CB 3.39Å; Q286-L290 PolarHBondContact O-N 3.37Å; I287-L290 PolarHBondContact O-N 3.2Å; L290-F292 PolarHBondContact O-N 3.26Å; L290-Y293 PolarHBondContact O-N 2.72Å; L290-A294 WeakPolarHBondContact O-CB 3.38Å; L290-A294 PolarHBondContact O-N 2.97Å
291N81Confident79.9Confident116 Ų116105.7 Ų105.762%0.6253%0.529SS*.Hα-helixtrans-65.1-25.9178.1-75.1-13.8000112.9I287 L289 P295I287-N291 WeakPolarHBondContact O-CB 3.27Å; I287-N291 PolarHBondContact O-N 3.13Å; L289-N291 VanDerWaalsContact C-N 3.35Å; L289-N291 PolarHBondContact O-N 3.39Å; N291-P295 VanDerWaalsContact O-CD 3.26Å; N291-P295 WeakPolarHBondContact O-CD 3.46Å
292F81.6Confident79.5Confident129 Ų129103.6 Ų103.657%0.56653%0.525SS*.Hα-helixtrans-80.8-44.6174.6-175.8-101.8000112.6S288 L289 L290 L296S288-F292 PolarHBondContact O-N 3.31Å; S288-F292 VanDerWaalsContact O-N 3.12Å; L289-F292 PolarHBondContact O-N 3.11Å; L289-F292 VanDerWaalsContact O-N 3.16Å; L290-F292 PolarHBondContact O-N 3.26Å; F292-L296 HydrophobicContact CD1-CD1 4.21Å; F292-L296 HydrophobicContact CE1-CD1 3.77Å; F292-L296 HydrophobicContact CE2-CD1 4.45Å; F292-L296 HydrophobicContact CZ-CD1 3.91Å
293Y77.8Confident79.3Confident131 Ų131100.3 Ų100.351%0.51452%0.516SS..Hα-helixtrans-81.9-30.1-175.4-76.3-70.3000114.2L289 L290 L296 L297L289-Y293 HydrophobicContact CB-CD2 4.34Å; L289-Y293 HydrophobicContact CD2-CE2 3.91Å; L289-Y293 WeakPolarHBondContact O-CD2 3.17Å; L289-Y293 PolarHBondContact O-N 3.19Å; L290-Y293 PolarHBondContact O-N 2.72Å; Y293-L296 WeakPolarHBondContact O-CB 3.19Å; Y293-L296 PolarHBondContact O-N 2.92Å; Y293-L296 VanDerWaalsContact O-N 3.14Å; Y293-L297 PolarHBondContact O-N 3.4Å
294A77.5Confident79Confident52 Ų52102 Ų10243%0.4352%0.522SS..Hα-helixtrans-55-52.6179.900000113.4L290 L296 L297 E298L290-A294 WeakPolarHBondContact O-CB 3.38Å; L290-A294 PolarHBondContact O-N 2.97Å; A294-L296 VanDerWaalsContact C-N 3.27Å; A294-L296 PolarHBondContact O-N 3.15Å; A294-L297 PolarHBondContact O-N 3.04Å; A294-E298 PolarHBondContact O-N 2.88Å
295P78.1Confident78.7Confident63 Ų63105.1 Ų105.141%0.40953%0.531SS..Hα-helixtrans-70.7-21.3177.726.4-33.8000113.5N291 K299N291-P295 VanDerWaalsContact O-CD 3.26Å; N291-P295 WeakPolarHBondContact O-CD 3.46Å; P295-K299 WeakPolarHBondContact O-CG 3.42Å; P295-K299 PolarHBondContact O-N 3.16Å
296L79.3Confident78.5Confident83 Ų83109.3 Ų109.344%0.43554%0.544SS..Hα-helixtrans-74.7-41.7175.3-110.2141.2000111.6F292 Y293 A294 Y300F292-L296 HydrophobicContact CD1-CD1 4.21Å; F292-L296 HydrophobicContact CE1-CD1 3.77Å; F292-L296 HydrophobicContact CE2-CD1 4.45Å; F292-L296 HydrophobicContact CZ-CD1 3.91Å; Y293-L296 WeakPolarHBondContact O-CB 3.19Å; Y293-L296 PolarHBondContact O-N 2.92Å; Y293-L296 VanDerWaalsContact O-N 3.14Å; A294-L296 VanDerWaalsContact C-N 3.27Å; A294-L296 PolarHBondContact O-N 3.15Å; L296-Y300 PolarHBondContact O-N 3.22Å
297L75.9Confident78.2Confident121 Ų121107.1 Ų107.163%0.63454%0.539SS*.Hα-helixtrans-65.6-41.2173.3-88.8158.9000111.6Y293 A294 Y300 H301Y293-L297 PolarHBondContact O-N 3.4Å; A294-L297 PolarHBondContact O-N 3.04Å; L297-Y300 PolarHBondContact O-N 3.38Å; L297-H301 WeakPolarHBondContact O-CB 3.49Å; L297-H301 PolarHBondContact O-N 2.73Å
298E78Confident77.9Confident137 Ų137105.3 Ų105.364%0.6454%0.539SS*.Hα-helixtrans-61.2-44.5177-161.5167-15400111.3A294 Y300 H301 E302A294-E298 PolarHBondContact O-N 2.88Å; E298-Y300 PolarHBondContact O-N 3.26Å; E298-H301 PolarHBondContact O-N 3.36Å; E298-E302 PolarHBondContact O-N 2.65Å
299K79.1Confident77.7Confident157 Ų157108.4 Ų108.468%0.68355%0.545SS*.Hα-helixtrans-64.3-37.4172.4-76.7-178.5178.7-178.20113.8P295 H301 G303P295-K299 WeakPolarHBondContact O-CG 3.42Å; P295-K299 PolarHBondContact O-N 3.16Å; K299-H301 VanDerWaalsContact C-N 3.32Å; K299-G303 PolarHBondContact O-N 2.84Å; K299-G303 VanDerWaalsContact O-N 3.08Å
300Y75.8Confident77.4Confident166 Ų166110.2 Ų110.265%0.65155%0.551SS**Hα-helixtrans-67.3-36.1176-124.3-84.9000111.3L296 L297 E298 G303 I304L296-Y300 PolarHBondContact O-N 3.22Å; L297-Y300 PolarHBondContact O-N 3.38Å; E298-Y300 PolarHBondContact O-N 3.26Å; Y300-G303 PolarHBondContact O-N 2.68Å; Y300-I304 HydrophobicContact CD1-CD1 4.4Å; Y300-I304 WeakPolarHBondContact O-CG1 3.29Å; Y300-I304 PolarHBondContact O-N 3.05Å
301H75.2Confident77.2Confident122 Ų122113.5 Ų113.557%0.56556%0.555SS**Hα-helixtrans-68.4-46.9177.4-149.154.2000111.5L297 E298 K299 G303 I304 E305L297-H301 WeakPolarHBondContact O-CB 3.49Å; L297-H301 PolarHBondContact O-N 2.73Å; E298-H301 PolarHBondContact O-N 3.36Å; K299-H301 VanDerWaalsContact C-N 3.32Å; H301-G303 PolarHBondContact O-N 2.89Å; H301-I304 PolarHBondContact O-N 3.44Å; H301-I304 VanDerWaalsContact O-N 3.14Å; H301-E305 PolarHBondContact O-N 3.18Å
302E76.5Confident76.7Confident121 Ų121111.2 Ų111.257%0.56555%0.548SS*.Hα-helixtrans-57.7-36.8172.2-79.7-172.9150.100112.4E298 K306E298-E302 PolarHBondContact O-N 2.65Å; E302-K306 PolarHBondContact O-N 3.33Å; E302-K306 VanDerWaalsContact O-N 3.11Å
303G76.7Confident76.4Confident34 Ų34107.7 Ų107.735%0.35154%0.543SS..Hα-helixtrans-66.8-40.5176.600000113.2K299 Y300 H301 V307K299-G303 PolarHBondContact O-N 2.84Å; K299-G303 VanDerWaalsContact O-N 3.08Å; Y300-G303 PolarHBondContact O-N 2.68Å; H301-G303 PolarHBondContact O-N 2.89Å; G303-V307 WeakPolarHBondContact O-CG2 3.39Å; G303-V307 PolarHBondContact O-N 3.03Å
304I76.6Confident76.2Confident103 Ų103108 Ų10853%0.52855%0.546SS..Hα-helixtrans-69-42.8177.4-69.7170.8000110.8Y300 H301 V307 A308Y300-I304 HydrophobicContact CD1-CD1 4.4Å; Y300-I304 WeakPolarHBondContact O-CG1 3.29Å; Y300-I304 PolarHBondContact O-N 3.05Å; H301-I304 PolarHBondContact O-N 3.44Å; H301-I304 VanDerWaalsContact O-N 3.14Å; I304-V307 PolarHBondContact O-N 3.11Å; I304-A308 WeakPolarHBondContact O-CB 3.31Å; I304-A308 PolarHBondContact O-N 3.28Å
305E75.1Confident75.9Confident120 Ų120111.3 Ų111.356%0.56156%0.557SS**Hα-helixtrans-60.2-45.8176.4-86.9-175.7150.400111.9H301 V307 A308 E309H301-E305 PolarHBondContact O-N 3.18Å; E305-V307 PolarHBondContact O-N 3.12Å; E305-A308 PolarHBondContact O-N 3.41Å; E305-E309 PolarHBondContact O-N 3.04Å
306K77.1Confident75.6Confident144 Ų144115 Ų11563%0.62657%0.568SS**Hα-helixtrans-58.5-43.8175.8-86.2-179.4175.21700113.4E302 A308 E309 E310E302-K306 PolarHBondContact O-N 3.33Å; E302-K306 VanDerWaalsContact O-N 3.11Å; K306-A308 VanDerWaalsContact C-N 3.34Å; K306-E309 PolarHBondContact O-N 3.27Å; K306-E310 WeakPolarHBondContact O-CG 3.25Å; K306-E310 PolarHBondContact O-N 3.01Å
307V76.3Confident75.4Confident77 Ų77117.5 Ų117.547%0.46758%0.578SS.*Hα-helixtrans-69.7-34.3179.3173.70000111.4G303 I304 E305 R311G303-V307 WeakPolarHBondContact O-CG2 3.39Å; G303-V307 PolarHBondContact O-N 3.03Å; I304-V307 PolarHBondContact O-N 3.11Å; E305-V307 PolarHBondContact O-N 3.12Å; V307-R311 WeakPolarHBondContact O-CB 3.27Å; V307-R311 PolarHBondContact O-N 3.29Å
308A75Confident75.3Confident57 Ų57118.5 Ų118.547%0.47158%0.577SS.*Hα-helixtrans-66.9-43.6175.400000111.7I304 E305 K306 R311 S312I304-A308 WeakPolarHBondContact O-CB 3.31Å; I304-A308 PolarHBondContact O-N 3.28Å; E305-A308 PolarHBondContact O-N 3.41Å; K306-A308 VanDerWaalsContact C-N 3.34Å; A308-R311 PolarHBondContact O-N 3.14Å; A308-S312 WeakPolarHBondContact O-CB 3.47Å; A308-S312 PolarHBondContact O-N 3.44Å
309E76.3Confident75Confident142 Ų142115.2 Ų115.266%0.66457%0.567SS**Hα-helixtrans-62.5-45.3174.5-75.6-174.1156.400112E305 K306 R311 S312 A313E305-E309 PolarHBondContact O-N 3.04Å; K306-E309 PolarHBondContact O-N 3.27Å; E309-R311 VanDerWaalsContact C-N 3.34Å; E309-R311 PolarHBondContact O-N 3.33Å; E309-S312 PolarHBondContact O-N 3.47Å; E309-A313 WeakPolarHBondContact O-CB 3.34Å; E309-A313 PolarHBondContact O-N 3.14Å
310E77.3Confident74.6Confident121 Ų121110.5 Ų110.557%0.56556%0.557SS**Hα-helixtrans-61.7-39.3176.9-80.4-173.7176.300112.9K306 K314K306-E310 WeakPolarHBondContact O-CG 3.25Å; K306-E310 PolarHBondContact O-N 3.01Å; E310-K314 WeakPolarHBondContact O-CB 3.29Å; E310-K314 WeakPolarHBondContact O-CG 3.47Å; E310-K314 PolarHBondContact O-N 3.32Å; E310-K314 VanDerWaalsContact O-N 3.09Å
311R74.9Confident74.3Confident188 Ų188108.8 Ų108.871%0.70956%0.555SS**Hα-helixtrans-71.8-39.1177.4-81.9-175.8173.4-171.5-0.3112V307 A308 E309 K314 L315V307-R311 WeakPolarHBondContact O-CB 3.27Å; V307-R311 PolarHBondContact O-N 3.29Å; A308-R311 PolarHBondContact O-N 3.14Å; E309-R311 VanDerWaalsContact C-N 3.34Å; E309-R311 PolarHBondContact O-N 3.33Å; R311-K314 PolarHBondContact O-N 2.79Å; R311-L315 WeakPolarHBondContact O-CB 3.39Å; R311-L315 PolarHBondContact O-N 3.12Å
312S71.3Confident73.9Confident67 Ų67108.2 Ų108.247%0.46956%0.555SS.*Hα-helixtrans-59.8-48.8174.7-175.60000110.8A308 E309 K314 L315 E316A308-S312 WeakPolarHBondContact O-CB 3.47Å; A308-S312 PolarHBondContact O-N 3.44Å; E309-S312 PolarHBondContact O-N 3.47Å; S312-K314 PolarHBondContact O-N 3.07Å; S312-L315 WeakPolarHBondContact O-CB 3.29Å; S312-L315 PolarHBondContact O-N 3.45Å; S312-L315 VanDerWaalsContact O-N 3.13Å; S312-E316 PolarHBondContact O-N 3.4Å
313A74.3Confident73.5Confident56 Ų56109.6 Ų109.646%0.46356%0.559SS.*Hα-helixtrans-61.5-43.2177.900000112.6E309 L315 E316 E317E309-A313 WeakPolarHBondContact O-CB 3.34Å; E309-A313 PolarHBondContact O-N 3.14Å; A313-L315 VanDerWaalsContact C-N 3.31Å; A313-L315 PolarHBondContact O-N 2.84Å; A313-E316 PolarHBondContact O-N 2.84Å; A313-E317 PolarHBondContact O-N 2.93Å
314K73.9Confident73.1Confident136 Ų136116.1 Ų116.159%0.59158%0.578SS**Hα-helixtrans-64.9-32.5174.9-81.6177.1178.51660113.2E310 R311 S312 K318E310-K314 WeakPolarHBondContact O-CB 3.29Å; E310-K314 WeakPolarHBondContact O-CG 3.47Å; E310-K314 PolarHBondContact O-N 3.32Å; E310-K314 VanDerWaalsContact O-N 3.09Å; R311-K314 PolarHBondContact O-N 2.79Å; S312-K314 PolarHBondContact O-N 3.07Å; K314-K318 PolarHBondContact O-N 3.08Å
315L70.8Confident72.4Confident123 Ų123120.9 Ų120.964%0.64459%0.589SS**Hα-helixtrans-68.8-48.8176.3-157.884.6000109.5R311 S312 A313 E317 K318 T319R311-L315 WeakPolarHBondContact O-CB 3.39Å; R311-L315 PolarHBondContact O-N 3.12Å; S312-L315 WeakPolarHBondContact O-CB 3.29Å; S312-L315 PolarHBondContact O-N 3.45Å; S312-L315 VanDerWaalsContact O-N 3.13Å; A313-L315 VanDerWaalsContact C-N 3.31Å; A313-L315 PolarHBondContact O-N 2.84Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.41Å; L315-K318 PolarHBondContact O-N 2.87Å; L315-T319 PolarHBondContact O-N 2.73Å; L315-T319 PolarHBondContact O-OG1 2.76Å
316E72.6Confident71.5Confident139 Ų139121.3 Ų121.365%0.6559%0.593SS**Hα-helixtrans-58.4-42.8177.8-74.9-168.3152.900112.6S312 A313 T319 A320S312-E316 PolarHBondContact O-N 3.4Å; A313-E316 PolarHBondContact O-N 2.84Å; E316-T319 PolarHBondContact O-N 2.73Å; E316-A320 PolarHBondContact O-N 3.3Å
317E75Confident70.6Confident136 Ų136119.7 Ų119.764%0.63660%0.595SS**Hα-helixtrans-62.2-46.6177.3-169.2178.6-165.700112.1A313 L315 T319 A320 E321A313-E317 PolarHBondContact O-N 2.93Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.41Å; E317-T319 VanDerWaalsContact C-N 3.28Å; E317-T319 PolarHBondContact O-N 2.75Å; E317-A320 WeakPolarHBondContact O-CB 3.41Å; E317-A320 PolarHBondContact O-N 3.2Å; E317-E321 PolarHBondContact O-N 2.98Å
318K73.5Confident69.7Low142 Ų142126.9 Ų126.962%0.61761%0.614SS**Hα-helixtrans-64.6-32.5174.6-83.5-167171.8-173.80112.9K314 L315 A320 E321 L322K314-K318 PolarHBondContact O-N 3.08Å; L315-K318 PolarHBondContact O-N 2.87Å; K318-A320 VanDerWaalsContact C-N 3.34Å; K318-E321 PolarHBondContact O-N 2.83Å; K318-L322 PolarHBondContact O-N 3.01Å
319T71.4Confident68.2Low69 Ų69131.8 Ų131.842%0.42363%0.629SS.*Hα-helixtrans-71.1-35.3178.3-35.40000110.3L315 E316 E317 K323L315-T319 PolarHBondContact O-N 2.73Å; L315-T319 PolarHBondContact O-OG1 2.76Å; E316-T319 PolarHBondContact O-N 2.73Å; E317-T319 VanDerWaalsContact C-N 3.28Å; E317-T319 PolarHBondContact O-N 2.75Å; T319-K323 PolarHBondContact O-N 2.9Å; T319-K323 VanDerWaalsContact O-N 3.08Å
320A71.1Confident66.8Low58 Ų58133.9 Ų133.948%0.47965%0.651SS.*Hα-helixtrans-67.2-39.3172.400000112.6E316 E317 K318 K323 K324E316-A320 PolarHBondContact O-N 3.3Å; E317-A320 WeakPolarHBondContact O-CB 3.41Å; E317-A320 PolarHBondContact O-N 3.2Å; K318-A320 VanDerWaalsContact C-N 3.34Å; A320-K323 PolarHBondContact O-N 3.13Å; A320-K324 PolarHBondContact O-N 3.1Å; A320-K324 VanDerWaalsContact O-N 3.14Å
321E69.4Low66.2Low129 Ų129134.6 Ų134.660%0.60366%0.655SS**Hα-helixtrans-62.7-43.2173-81.9-166.6138.400112.8E317 K318 K324 R325E317-E321 PolarHBondContact O-N 2.98Å; K318-E321 PolarHBondContact O-N 2.83Å; E321-K324 PolarHBondContact O-N 3.34Å; E321-R325 PolarHBondContact O-N 3.28Å
322L66.6Low65.8Low110 Ų110131.7 Ų131.758%0.57665%0.652SS**Hα-helixtrans-63.4-42.5176.8-92.5158000112K318 K324 R325 M326K318-L322 PolarHBondContact O-N 3.01Å; L322-K324 VanDerWaalsContact C-N 3.31Å; L322-K324 PolarHBondContact O-N 2.6Å; L322-R325 PolarHBondContact O-N 3.29Å; L322-R325 VanDerWaalsContact O-N 3.17Å; L322-M326 PolarHBondContact O-N 3.2Å
323K68.4Low65.5Low151 Ų151135.3 Ų135.366%0.65766%0.663SS**Hα-helixtrans-59.5-39.5174.1-80-177.7177.8177.50112T319 A320 V327T319-K323 PolarHBondContact O-N 2.9Å; T319-K323 VanDerWaalsContact O-N 3.08Å; A320-K323 PolarHBondContact O-N 3.13Å; K323-V327 VanDerWaalsContact O-CG2 3.31Å; K323-V327 WeakPolarHBondContact O-CG2 3.22Å; K323-V327 PolarHBondContact O-N 3.09Å
324K69.3Low65Low171 Ų171140 Ų14074%0.74367%0.674SS**Hα-helixtrans-66.7-37.8174.4-93.8-179.7177172.80113.2A320 E321 L322 V327A320-K324 PolarHBondContact O-N 3.1Å; A320-K324 VanDerWaalsContact O-N 3.14Å; E321-K324 PolarHBondContact O-N 3.34Å; L322-K324 VanDerWaalsContact C-N 3.31Å; L322-K324 PolarHBondContact O-N 2.6Å; K324-V327 PolarHBondContact O-N 2.92Å
325R61.5Low64.4Low202 Ų202140.3 Ų140.376%0.76268%0.68SS**Hα-helixtrans-69-34.9178-97.2-179.5169171.2-1.7113E321 L322E321-R325 PolarHBondContact O-N 3.28Å; L322-R325 PolarHBondContact O-N 3.29Å; L322-R325 VanDerWaalsContact O-N 3.17Å
326M54.9Low64Low130 Ų130141.4 Ų141.464%0.6468%0.682SS**Hα-helixtrans-68.6-34.4175.4-78.5-177.763.500113.1L322 R328 M329L322-M326 PolarHBondContact O-N 3.2Å; M326-R328 PolarHBondContact O-N 3.12Å; M326-R328 VanDerWaalsContact O-N 3.16Å; M326-M329 PolarHBondContact O-N 2.59Å; M326-M329 VanDerWaalsContact O-N 3.16Å
327V59.2Low63.4Low110 Ų110141.6 Ų141.667%0.66768%0.684SS**THydrogen-bonded Turntrans-69.3-9.4-178.4172.30000113.6K323 K324K323-V327 VanDerWaalsContact O-CG2 3.31Å; K323-V327 WeakPolarHBondContact O-CG2 3.22Å; K323-V327 PolarHBondContact O-N 3.09Å; K324-V327 PolarHBondContact O-N 2.92Å
328R56.3Low62.5Low228 Ų228142 Ų14286%0.8669%0.688SS**THydrogen-bonded Turntrans-103.4-0.4173.6-66.8-171.7-173.2178.91.5114.4M326M326-R328 PolarHBondContact O-N 3.12Å; M326-R328 VanDerWaalsContact O-N 3.16Å
329M44.8Very low61.5Low160 Ų160142 Ų14279%0.78869%0.694SS**  trans-996.9173.8-79.5-168.1-66.500113.3M326M326-M329 PolarHBondContact O-N 2.59Å; M326-M329 VanDerWaalsContact O-N 3.16Å
330V45.9Very low60.7Low186 Ų186148.6 Ų148.6100%1.12772%0.718SS**  trans-117.90162.8-175.40000106.7

Retrieved 330 of 330 residues in 773.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).