A0A077ZKN0_TRITR Loading...

G3P acyltransf domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKN0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 205 aa.

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

 

Download Structure   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
1M59.2Low89.8Confident192 Ų19271.3 Ų71.395%0.94643%0.425SS*.  0117.30-69176.5-173.100106.9W82M1-W82 HydrophobicContact SD-CZ2 4.09Å; M1-W82 PolarHBondContact SD-NE1 3.15Å
2S71.9Confident90.5Very high71 Ų7165.3 Ų65.350%0.49739%0.389SS..  trans-63.1158.8-17754.90000111.3I4 A5S2-I4 PolarHBondContact O-N 3.44Å; S2-I4 WeakPolarHBondContact OG-CB 3.23Å; S2-I4 VanDerWaalsContact OG-CD1 3.23Å; S2-I4 WeakPolarHBondContact OG-CD1 3.36Å; S2-I4 WeakPolarHBondContact OG-CG1 3.2Å; S2-A5 PolarHBondContact O-N 3.08Å
3A86.6Confident91.1Very high88 Ų8864.6 Ų64.673%0.72738%0.376SS*.THydrogen-bonded Turntrans-56.5-4.3173.200000114.1G7A3-G7 PolarHBondContact O-N 2.83Å; A3-G7 VanDerWaalsContact O-N 3.08Å
4I93.2Very high91.7Very high65 Ų6564.8 Ų64.833%0.33337%0.374SS..Hα-helixtrans-57.1-50.6176-60.4178.4000111.1S2 G7 M8 L76 V78S2-I4 PolarHBondContact O-N 3.44Å; S2-I4 WeakPolarHBondContact OG-CB 3.23Å; S2-I4 VanDerWaalsContact OG-CD1 3.23Å; S2-I4 WeakPolarHBondContact OG-CD1 3.36Å; S2-I4 WeakPolarHBondContact OG-CG1 3.2Å; I4-G7 PolarHBondContact O-N 2.99Å; I4-M8 HydrophobicContact CG2-CG 4.03Å; I4-M8 WeakPolarHBondContact O-CB 3.43Å; I4-M8 VanDerWaalsContact O-CG 3.27Å; I4-M8 WeakPolarHBondContact O-CG 3.27Å; I4-M8 PolarHBondContact O-N 3.24Å; I4-L76 HydrophobicContact CG2-CB 4.36Å; I4-L76 HydrophobicContact CG2-CD1 3.82Å; I4-V78 HydrophobicContact CG2-CG2 4.1Å
5A93.5Very high92.1Very high6 Ų663.3 Ų63.35%0.0537%0.369CS..Hα-helixtrans-64-48.8-173.400000113S2 G7 M8 I9 V78 W82S2-A5 PolarHBondContact O-N 3.08Å; A5-G7 VanDerWaalsContact C-N 3.34Å; A5-G7 PolarHBondContact O-N 3.49Å; A5-M8 PolarHBondContact O-N 3.44Å; A5-I9 WeakPolarHBondContact O-CG1 3.23Å; A5-I9 PolarHBondContact O-N 3.16Å; A5-V78 HydrophobicContact CB-CG1 4.3Å; A5-W82 HydrophobicContact CB-CB 4.11Å; A5-W82 HydrophobicContact CB-CD2 3.71Å; A5-W82 HydrophobicContact CB-CE3 3.83Å; A5-W82 HydrophobicContact CB-CG 3.82Å
6P95Very high92.5Very high73 Ų7359.4 Ų59.447%0.47435%0.346SS..Hα-helixtrans-60.3-39.9171.8-24.835000113.5M8 I9 L10P6-M8 VanDerWaalsContact C-N 3.35Å; P6-M8 PolarHBondContact O-N 3.34Å; P6-I9 WeakPolarHBondContact O-CB 3.37Å; P6-I9 PolarHBondContact O-N 3.49Å; P6-L10 PolarHBondContact O-N 3.18Å
7G96.8Very high92.9Very high30 Ų3055.9 Ų55.931%0.30933%0.325SS..Hα-helixtrans-61-43.317600000112.4A3 I4 A5 I9 L10 I11A3-G7 PolarHBondContact O-N 2.83Å; A3-G7 VanDerWaalsContact O-N 3.08Å; I4-G7 PolarHBondContact O-N 2.99Å; A5-G7 VanDerWaalsContact C-N 3.34Å; A5-G7 PolarHBondContact O-N 3.49Å; G7-I9 VanDerWaalsContact C-N 3.33Å; G7-I9 PolarHBondContact O-N 2.98Å; G7-L10 PolarHBondContact O-N 3.46Å; G7-I11 WeakPolarHBondContact O-CG1 3.44Å; G7-I11 PolarHBondContact O-N 3.04Å
8M97.2Very high93.2Very high23 Ų2357.2 Ų57.211%0.11333%0.33CS..Hα-helixtrans-67.8-31.5177.2-69.4-54.8-66.300112.6I4 A5 P6 I11 A12 P69 A73 L76 I86I4-M8 HydrophobicContact CG2-CG 4.03Å; I4-M8 WeakPolarHBondContact O-CB 3.43Å; I4-M8 VanDerWaalsContact O-CG 3.27Å; I4-M8 WeakPolarHBondContact O-CG 3.27Å; I4-M8 PolarHBondContact O-N 3.24Å; A5-M8 PolarHBondContact O-N 3.44Å; P6-M8 VanDerWaalsContact C-N 3.35Å; P6-M8 PolarHBondContact O-N 3.34Å; M8-I11 PolarHBondContact O-N 3.48Å; M8-I11 HydrophobicContact SD-CD1 3.95Å; M8-A12 WeakPolarHBondContact O-CB 3.11Å; M8-A12 PolarHBondContact O-N 3.3Å; M8-P69 WeakPolarHBondContact CE-O 3.17Å; M8-A73 HydrophobicContact CB-CB 4.31Å; M8-A73 HydrophobicContact CE-CB 4Å; M8-A73 HydrophobicContact CG-CB 4.18Å; M8-L76 HydrophobicContact SD-CD1 4.43Å; M8-I86 HydrophobicContact CB-CD1 3.65Å; M8-I86 HydrophobicContact CB-CG1 4.12Å
9I97.9Very high93.4Very high47 Ų4754.5 Ų54.524%0.24132%0.315CS..Hα-helixtrans-60.5-47.4171.1-73.6171.3000110.3A5 P6 G7 A12 Y13 W82 L85 I86 A89A5-I9 WeakPolarHBondContact O-CG1 3.23Å; A5-I9 PolarHBondContact O-N 3.16Å; P6-I9 WeakPolarHBondContact O-CB 3.37Å; P6-I9 PolarHBondContact O-N 3.49Å; G7-I9 VanDerWaalsContact C-N 3.33Å; G7-I9 PolarHBondContact O-N 2.98Å; I9-A12 PolarHBondContact O-N 3.22Å; I9-Y13 PolarHBondContact O-N 3.31Å; I9-W82 HydrophobicContact CD1-CE3 3.83Å; I9-W82 HydrophobicContact CD1-CZ3 3.75Å; I9-L85 HydrophobicContact CD1-CB 3.97Å; I9-L85 HydrophobicContact CD1-CD1 4.46Å; I9-L85 HydrophobicContact CG1-CB 4.41Å; I9-I86 HydrophobicContact CG1-CG1 3.69Å; I9-A89 HydrophobicContact CG2-CB 3.89Å; I9-A89 WeakPolarHBondContact O-CB 3.21Å
10L98.1Very high93.6Very high106 Ų10652.2 Ų52.256%0.55530%0.302SS*.Hα-helixtrans-62.8-48178.6179.661.9000111.1P6 G7 A12 Y13 L14P6-L10 PolarHBondContact O-N 3.18Å; G7-L10 PolarHBondContact O-N 3.46Å; L10-A12 VanDerWaalsContact C-N 3.32Å; L10-A12 PolarHBondContact O-N 3.26Å; L10-Y13 PolarHBondContact O-N 3.22Å; L10-L14 HydrophobicContact CD1-CD1 4.23Å; L10-L14 HydrophobicContact CD1-CG 4.29Å; L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.08Å
11I98Very high93.8Very high83 Ų8349.7 Ų49.743%0.42629%0.287SS..Hα-helixtrans-57.8-46.9177.5-68.5166.1000110.4G7 M8 Y13 L14 C15G7-I11 WeakPolarHBondContact O-CG1 3.44Å; G7-I11 PolarHBondContact O-N 3.04Å; M8-I11 PolarHBondContact O-N 3.48Å; M8-I11 HydrophobicContact SD-CD1 3.95Å; I11-Y13 PolarHBondContact O-N 3.45Å; I11-L14 PolarHBondContact O-N 3.32Å; I11-C15 WeakPolarHBondContact O-CB 3.49Å; I11-C15 PolarHBondContact O-N 2.93Å; I11-C15 PolarHBondContact O-SG 3.06Å
12A98.6Very high95.6Very high0 Ų040.6 Ų40.60%024%0.242CC..Hα-helixtrans-59.3-45.5178.500000112.3M8 I9 L10 L14 C15 G16 P69 I86 A89 A90M8-A12 WeakPolarHBondContact O-CB 3.11Å; M8-A12 PolarHBondContact O-N 3.3Å; I9-A12 PolarHBondContact O-N 3.22Å; L10-A12 VanDerWaalsContact C-N 3.32Å; L10-A12 PolarHBondContact O-N 3.26Å; A12-L14 PolarHBondContact O-N 3.34Å; A12-C15 PolarHBondContact O-N 2.89Å; A12-G16 PolarHBondContact O-N 2.81Å; A12-P69 HydrophobicContact CB-CB 3.82Å; A12-P69 HydrophobicContact CB-CG 4.09Å; A12-I86 HydrophobicContact CB-CG2 3.66Å; A12-I86 WeakPolarHBondContact CB-O 3.43Å; A12-A89 HydrophobicContact CB-CB 4.13Å; A12-A90 HydrophobicContact CB-CB 4.15Å; A12-A90 WeakPolarHBondContact O-CA 3.22Å
13Y98.8Very high96.8Very high56 Ų5640.3 Ų40.322%0.2224%0.235CC..Hα-helixtrans-60.8-43.9176.3176.9-98.5000112.4I9 L10 I11 G16 S17 A89 L92 G93 W96 V98 F102I9-Y13 PolarHBondContact O-N 3.31Å; L10-Y13 PolarHBondContact O-N 3.22Å; I11-Y13 PolarHBondContact O-N 3.45Å; Y13-G16 PolarHBondContact O-N 3.02Å; Y13-S17 VanDerWaalsContact O-CB 3.32Å; Y13-S17 WeakPolarHBondContact O-CB 3.42Å; Y13-S17 PolarHBondContact O-N 2.85Å; Y13-S17 PolarHBondContact O-OG 3.48Å; Y13-A89 WeakPolarHBondContact CA-O 3.2Å; Y13-L92 HydrophobicContact CD2-CB 4.31Å; Y13-L92 HydrophobicContact CE2-CB 4.49Å; Y13-G93 WeakPolarHBondContact O-CA 3.41Å; Y13-W96 PolarHBondContact OH-O 3.35Å; Y13-V98 HydrophobicContact CE1-CB 4.08Å; Y13-V98 HydrophobicContact CE1-CG1 4.06Å; Y13-F102 WeakPolarHBondContact OH-CE1 3.23Å
14L98.6Very high97.4Very high67 Ų6736.8 Ų36.835%0.35121%0.205SC..Hα-helixtrans-66.8-44.6178.7-64.8176.2000111.7L10 I11 A12 S17 V98 F99L10-L14 HydrophobicContact CD1-CD1 4.23Å; L10-L14 HydrophobicContact CD1-CG 4.29Å; L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.08Å; I11-L14 PolarHBondContact O-N 3.32Å; A12-L14 PolarHBondContact O-N 3.34Å; L14-S17 WeakPolarHBondContact O-CB 3.47Å; L14-S17 PolarHBondContact O-N 3.5Å; L14-V98 HydrophobicContact CD2-CG1 4.21Å; L14-F99 HydrophobicContact CD2-CZ 3.97Å; L14-F99 WeakPolarHBondContact O-CE2 3.35Å
15C98.3Very high97.6Very high43 Ų4333.8 Ų33.829%0.29119%0.189SC..Hα-helixtrans-59.8-47.2173.9-70.80000111.4I11 A12 S17 I18 P69I11-C15 WeakPolarHBondContact O-CB 3.49Å; I11-C15 PolarHBondContact O-N 2.93Å; I11-C15 PolarHBondContact O-SG 3.06Å; A12-C15 PolarHBondContact O-N 2.89Å; C15-S17 PolarHBondContact O-N 3.01Å; C15-I18 WeakPolarHBondContact O-CB 3.45Å; C15-I18 PolarHBondContact O-N 2.75Å; C15-I18 VanDerWaalsContact O-N 3.15Å; C15-P69 HydrophobicContact CB-CG 4.47Å
16G98.5Very high97.7Very high0 Ų040.9 Ų40.90%022%0.215CC..Hα-helixtrans-59.2-34.2176.500000112.9A12 Y13 I18 K65 A90 G93 H94A12-G16 PolarHBondContact O-N 2.81Å; Y13-G16 PolarHBondContact O-N 3.02Å; G16-I18 PolarHBondContact O-N 2.92Å; G16-K65 WeakPolarHBondContact O-CE 3.3Å; G16-K65 PolarHBondContact O-NZ 3.12Å; G16-A90 WeakPolarHBondContact CA-O 3.33Å; G16-G93 CarbonylContact O-C 3.59Å; G16-H94 VanDerWaalsContact O-CA 3.26Å; G16-H94 WeakPolarHBondContact O-CA 3.32Å; G16-H94 PolarHBondContact O-N 2.94Å
17S98.6Very high97.8Very high0 Ų044.6 Ų44.60%023%0.23CC..THydrogen-bonded Turntrans-68.4-9.2179.3-66.20000114.4Y13 L14 C15 S19 G93 P97 V98 F100Y13-S17 VanDerWaalsContact O-CB 3.32Å; Y13-S17 WeakPolarHBondContact O-CB 3.42Å; Y13-S17 PolarHBondContact O-N 2.85Å; Y13-S17 PolarHBondContact O-OG 3.48Å; L14-S17 WeakPolarHBondContact O-CB 3.47Å; L14-S17 PolarHBondContact O-N 3.5Å; C15-S17 PolarHBondContact O-N 3.01Å; S17-S19 PolarHBondContact O-N 2.98Å; S17-G93 WeakPolarHBondContact CA-O 3.49Å; S17-G93 WeakPolarHBondContact OG-CA 3.36Å; S17-P97 WeakPolarHBondContact O-CB 3.4Å; S17-V98 PolarHBondContact OG-N 2.85Å; S17-F100 VanDerWaalsContact O-CD2 3.26Å; S17-F100 WeakPolarHBondContact O-CD2 3.29Å; S17-F100 WeakPolarHBondContact O-CE2 3.45Å
18I98.3Very high97.8Very high80 Ų8046.8 Ų46.841%0.4124%0.24SC..SBendtrans-75.1105.3171.1-56.2174.3000108.1C15 G16 S20 L23 K65 F99C15-I18 WeakPolarHBondContact O-CB 3.45Å; C15-I18 PolarHBondContact O-N 2.75Å; C15-I18 VanDerWaalsContact O-N 3.15Å; G16-I18 PolarHBondContact O-N 2.92Å; I18-S20 PolarHBondContact O-N 3.45Å; I18-S20 VanDerWaalsContact O-N 3.09Å; I18-L23 HydrophobicContact CG2-CD1 3.58Å; I18-K65 PolarHBondContact O-NZ 3Å; I18-F99 HydrophobicContact CG1-CE2 4.5Å
19S97.4Very high97.8Very high6 Ų649.1 Ų49.14%0.04227%0.27CS..  trans-80.490.7-180-171.70000111.1S17 A21 I22 L23S17-S19 PolarHBondContact O-N 2.98Å; S19-A21 PolarHBondContact O-N 3.48Å; S19-I22 PolarHBondContact O-N 3.25Å; S19-I22 VanDerWaalsContact O-N 3.13Å; S19-I22 WeakPolarHBondContact OG-CD1 3.35Å; S19-I22 WeakPolarHBondContact OG-CG1 3.22Å; S19-L23 WeakPolarHBondContact O-CG 3.46Å; S19-L23 PolarHBondContact O-N 3.41Å
20S97.7Very high97.7Very high7 Ų749 Ų495%0.04927%0.269CS..Hα-helixtrans-53-41.1177.3-38.40000112.1I18 I22 L23 V24 F61 D62I18-S20 PolarHBondContact O-N 3.45Å; I18-S20 VanDerWaalsContact O-N 3.09Å; S20-I22 PolarHBondContact O-N 3.43Å; S20-L23 PolarHBondContact O-N 3.39Å; S20-V24 VanDerWaalsContact O-CB 3.29Å; S20-V24 WeakPolarHBondContact O-CB 2.99Å; S20-V24 VanDerWaalsContact O-CG2 3.23Å; S20-V24 WeakPolarHBondContact O-CG2 3.35Å; S20-V24 PolarHBondContact O-N 3.22Å; S20-F61 VanDerWaalsContact OG-CB 3.3Å; S20-F61 WeakPolarHBondContact OG-CB 3.37Å; S20-D62 VanDerWaalsContact CB-OD1 3.32Å; S20-D62 WeakPolarHBondContact CB-OD1 3.41Å; S20-D62 PolarHBondContact OG-OD1 3.17Å
21A97.7Very high97.6Very high0 Ų047.3 Ų47.30%026%0.264CS..Hα-helixtrans-60.7-45.2178.700000112.7S19 C25 P33 P41 V46 V58S19-A21 PolarHBondContact O-N 3.48Å; A21-C25 VanDerWaalsContact O-CB 3.24Å; A21-C25 WeakPolarHBondContact O-CB 3.49Å; A21-C25 PolarHBondContact O-N 3.44Å; A21-C25 PolarHBondContact O-SG 3.24Å; A21-P33 HydrophobicContact CB-CG 4.14Å; A21-P41 VanDerWaalsContact CB-C 3.45Å; A21-P41 HydrophobicContact CB-CB 3.96Å; A21-P41 WeakPolarHBondContact CB-O 3.02Å; A21-V46 HydrophobicContact CB-CG2 3.94Å; A21-V58 HydrophobicContact CB-CG1 3.92Å; A21-V58 HydrophobicContact CB-CG2 4.43Å
22I97.3Very high97.5Very high1 Ų145.5 Ų45.51%0.00526%0.256CS..Hα-helixtrans-68.5-44.2179.5-63.2170.7000110.1S19 S20 R26 P33 R34 P41 F100S19-I22 PolarHBondContact O-N 3.25Å; S19-I22 VanDerWaalsContact O-N 3.13Å; S19-I22 WeakPolarHBondContact OG-CD1 3.35Å; S19-I22 WeakPolarHBondContact OG-CG1 3.22Å; S20-I22 PolarHBondContact O-N 3.43Å; I22-R26 WeakPolarHBondContact O-CB 3.26Å; I22-R26 VanDerWaalsContact O-CG 3.3Å; I22-R26 WeakPolarHBondContact O-CG 3.24Å; I22-R26 PolarHBondContact O-N 2.99Å; I22-P33 HydrophobicContact CG1-CG 4.17Å; I22-R34 HydrophobicContact CD1-CG 4.31Å; I22-P41 HydrophobicContact CG1-CB 4.45Å; I22-F100 HydrophobicContact CB-CD1 4.11Å; I22-F100 HydrophobicContact CB-CE1 4.09Å; I22-F100 HydrophobicContact CD1-CB 3.81Å; I22-F100 HydrophobicContact CD1-CD1 3.59Å; I22-F100 HydrophobicContact CD1-CE1 4.41Å; I22-F100 HydrophobicContact CD1-CG 3.85Å; I22-F100 HydrophobicContact CG1-CD1 4.46Å; I22-F100 HydrophobicContact CG2-CD1 3.84Å; I22-F100 HydrophobicContact CG2-CE1 3.8Å
23L97.7Very high97.4Very high66 Ų6645.5 Ų45.535%0.34626%0.256SS..Hα-helixtrans-63.4-51.1-180-68.5176.6000111.8I18 S19 S20 C25 R26 L27 F100I18-L23 HydrophobicContact CG2-CD1 3.58Å; S19-L23 WeakPolarHBondContact O-CG 3.46Å; S19-L23 PolarHBondContact O-N 3.41Å; S20-L23 PolarHBondContact O-N 3.39Å; L23-C25 PolarHBondContact O-N 2.84Å; L23-R26 PolarHBondContact O-N 3.34Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.25Å; L23-L27 PolarHBondContact O-N 3.2Å; L23-F100 HydrophobicContact CD1-CZ 4.37Å; L23-F100 HydrophobicContact CD2-CE1 4.29Å; L23-F100 HydrophobicContact CD2-CZ 3.98Å; L23-F100 HydrophobicContact CG-CE1 4.48Å; L23-F100 HydrophobicContact CG-CZ 3.98Å
24V97.8Very high97.2Very high14 Ų1446.5 Ų46.59%0.08526%0.259CS..Hα-helixtrans-62.5-43.1179.3172.90000110.8S20 R26 L27 C28 A54 A57 V58 F61S20-V24 VanDerWaalsContact O-CB 3.29Å; S20-V24 WeakPolarHBondContact O-CB 2.99Å; S20-V24 VanDerWaalsContact O-CG2 3.23Å; S20-V24 WeakPolarHBondContact O-CG2 3.35Å; S20-V24 PolarHBondContact O-N 3.22Å; V24-R26 VanDerWaalsContact C-N 3.35Å; V24-R26 PolarHBondContact O-N 2.88Å; V24-L27 PolarHBondContact O-N 3.03Å; V24-C28 WeakPolarHBondContact O-CB 3.31Å; V24-C28 PolarHBondContact O-N 3.23Å; V24-C28 PolarHBondContact O-SG 3.3Å; V24-C28 VanDerWaalsContact O-SG 3.37Å; V24-A54 HydrophobicContact CG1-CB 3.94Å; V24-A57 HydrophobicContact CG1-CB 4.35Å; V24-A57 HydrophobicContact CG2-CB 4.26Å; V24-V58 HydrophobicContact CB-CG2 3.6Å; V24-V58 HydrophobicContact CG1-CG2 3.9Å; V24-V58 HydrophobicContact CG2-CG2 3.75Å; V24-F61 HydrophobicContact CG2-CD2 4.46Å
25C97.3Very high97Very high1 Ų149 Ų491%0.00728%0.277CS..Hα-helixtrans-60.1-44.6176.5-78.40000111.9A21 L23 C28 G29 L30 P33A21-C25 VanDerWaalsContact O-CB 3.24Å; A21-C25 WeakPolarHBondContact O-CB 3.49Å; A21-C25 PolarHBondContact O-N 3.44Å; A21-C25 PolarHBondContact O-SG 3.24Å; L23-C25 PolarHBondContact O-N 2.84Å; C25-C28 PolarHBondContact O-N 3.19Å; C25-G29 PolarHBondContact O-N 3.37Å; C25-L30 HydrophobicContact CB-CB 4.06Å; C25-L30 PolarHBondContact O-N 2.83Å; C25-P33 HydrophobicContact CB-CG 4.39Å
26R96.5Very high96.7Very high156 Ų15648.2 Ų48.259%0.58927%0.272SS*.Hα-helixtrans-61.9-47.5176.5-73.6176.8-176.9-176.60.8112.2I22 L23 V24 C28 G29I22-R26 WeakPolarHBondContact O-CB 3.26Å; I22-R26 VanDerWaalsContact O-CG 3.3Å; I22-R26 WeakPolarHBondContact O-CG 3.24Å; I22-R26 PolarHBondContact O-N 2.99Å; L23-R26 PolarHBondContact O-N 3.34Å; V24-R26 VanDerWaalsContact C-N 3.35Å; V24-R26 PolarHBondContact O-N 2.88Å; R26-C28 VanDerWaalsContact C-N 3.29Å; R26-C28 PolarHBondContact O-N 2.88Å; R26-G29 PolarHBondContact O-N 3.39Å
27L97.2Very high96.2Very high151 Ų15150.8 Ų50.879%0.79130%0.299SS*.Hα-helixtrans-64.4-33.4-179.1-70172.5000112.7L23 V24L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.25Å; L23-L27 PolarHBondContact O-N 3.2Å; V24-L27 PolarHBondContact O-N 3.03Å
28C96.5Very high95.7Very high76 Ų7654.1 Ų54.151%0.51432%0.322SS..THydrogen-bonded Turntrans-89.55.5178.3-63.50000113.9V24 C25 R26 L30V24-C28 WeakPolarHBondContact O-CB 3.31Å; V24-C28 PolarHBondContact O-N 3.23Å; V24-C28 PolarHBondContact O-SG 3.3Å; V24-C28 VanDerWaalsContact O-SG 3.37Å; C25-C28 PolarHBondContact O-N 3.19Å; R26-C28 VanDerWaalsContact C-N 3.29Å; R26-C28 PolarHBondContact O-N 2.88Å; C28-L30 HydrophobicContact CB-CD1 3.92Å; C28-L30 HydrophobicContact CB-CG 3.89Å; C28-L30 PolarHBondContact O-N 3.01Å
29G96.4Very high95.3Very high72 Ų7251.9 Ų51.974%0.74232%0.319SS*.THydrogen-bonded Turntrans64.726.1-17700000114.2C25 R26C25-G29 PolarHBondContact O-N 3.37Å; R26-G29 PolarHBondContact O-N 3.39Å
30L96.3Very high95Very high45 Ų4553.1 Ų53.124%0.23633%0.325CS..PPolyproline II helixtrans-91.2155.7179.9-62.3173.2000111.6C25 C28 A54C25-L30 HydrophobicContact CB-CB 4.06Å; C25-L30 PolarHBondContact O-N 2.83Å; C28-L30 HydrophobicContact CB-CD1 3.92Å; C28-L30 HydrophobicContact CB-CG 3.89Å; C28-L30 PolarHBondContact O-N 3.01Å; L30-A54 HydrophobicContact CD1-CB 3.81Å
31P95.6Very high94.8Very high69 Ų6953 Ų5345%0.44832%0.324SS..PPolyproline II helixtrans-56.9152.7174.9-24.234.1000113.2P33 S36 I49P31-P33 WeakPolarHBondContact O-CD 3.46Å; P31-S36 WeakPolarHBondContact CB-OG 3.22Å; P31-I49 WeakPolarHBondContact O-CD1 3.39Å
32D95.9Very high94.7Very high46 Ų4653.5 Ų53.525%0.24633%0.329CS..PPolyproline II helixtrans-60.7122.5177.2-171.9-37000110.1R34 T35 S36D32-R34 PolarHBondContact O-N 3.02Å; D32-R34 VanDerWaalsContact O-N 3.14Å; D32-R34 VanDerWaalsContact OD1-CB 3.24Å; D32-R34 WeakPolarHBondContact OD1-CB 3.46Å; D32-R34 WeakPolarHBondContact OD1-CG 3.35Å; D32-R34 PolarHBondContact OD1-N 3.16Å; D32-R34 IonicContact OD1-NE 3.11Å; D32-R34 PolarHBondContact OD1-NE 2.85Å; D32-R34 VanDerWaalsContact OD1-NE 3.11Å; D32-R34 IonicContact OD2-CZ 3.39Å; D32-R34 IonicContact OD2-NE 3.21Å; D32-R34 PolarHBondContact OD2-NE 3.48Å; D32-R34 IonicContact OD2-NH2 2.72Å; D32-R34 PolarHBondContact OD2-NH2 3.48Å; D32-T35 PolarHBondContact O-N 3.31Å; D32-T35 VanDerWaalsContact O-N 3.16Å; D32-T35 PolarHBondContact O-OG1 3.31Å; D32-S36 VanDerWaalsContact O-CB 3.24Å; D32-S36 WeakPolarHBondContact O-CB 3.26Å; D32-S36 PolarHBondContact O-N 2.78Å; D32-S36 PolarHBondContact O-OG 3.18Å
33P96Very high94.6Very high0 Ų054.3 Ų54.30%034%0.336CS..THydrogen-bonded Turntrans-70.5-8.9-175.530.6-37.6000113.7A21 I22 C25 P31 G39 P41 N45 V46 I49A21-P33 HydrophobicContact CB-CG 4.14Å; I22-P33 HydrophobicContact CG1-CG 4.17Å; C25-P33 HydrophobicContact CB-CG 4.39Å; P31-P33 WeakPolarHBondContact O-CD 3.46Å; P33-G39 CarbonylContact O-C 3.3Å; P33-G39 VanDerWaalsContact O-C 3.3Å; P33-G39 WeakPolarHBondContact O-CA 3.41Å; P33-P41 HydrophobicContact CB-CB 4.25Å; P33-P41 HydrophobicContact CG-CB 3.97Å; P33-N45 PolarHBondContact O-ND2 3.21Å; P33-V46 HydrophobicContact CB-CG2 4.33Å; P33-I49 HydrophobicContact CB-CD1 3.89Å
34R95.1Very high94.4Very high77 Ų7753.4 Ų53.429%0.29133%0.333SS..THydrogen-bonded Turntrans-81.2-26.9174.3-60.6175.7-68.6175.17.7112.4I22 D32 G39 P41 F100I22-R34 HydrophobicContact CD1-CG 4.31Å; D32-R34 PolarHBondContact O-N 3.02Å; D32-R34 VanDerWaalsContact O-N 3.14Å; D32-R34 VanDerWaalsContact OD1-CB 3.24Å; D32-R34 WeakPolarHBondContact OD1-CB 3.46Å; D32-R34 WeakPolarHBondContact OD1-CG 3.35Å; D32-R34 PolarHBondContact OD1-N 3.16Å; D32-R34 IonicContact OD1-NE 3.11Å; D32-R34 PolarHBondContact OD1-NE 2.85Å; D32-R34 VanDerWaalsContact OD1-NE 3.11Å; D32-R34 IonicContact OD2-CZ 3.39Å; D32-R34 IonicContact OD2-NE 3.21Å; D32-R34 PolarHBondContact OD2-NE 3.48Å; D32-R34 IonicContact OD2-NH2 2.72Å; D32-R34 PolarHBondContact OD2-NH2 3.48Å; R34-G39 VanDerWaalsContact O-CA 3.29Å; R34-G39 WeakPolarHBondContact O-CA 3.46Å; R34-P41 HydrophobicContact CG-CB 4.13Å; R34-P41 HydrophobicContact CG-CG 4.11Å; R34-F100 PolarHBondContact NH1-O 2.79Å
35T94.7Very high94.3Very high118 Ų11852.9 Ų52.972%0.72433%0.33SS*.THydrogen-bonded Turntrans-109.9-10.5-179.756.30000112.8D32D32-T35 PolarHBondContact O-N 3.31Å; D32-T35 VanDerWaalsContact O-N 3.16Å; D32-T35 PolarHBondContact O-OG1 3.31Å
36S92.1Very high94.2Very high27 Ų2752.9 Ų52.919%0.18933%0.33CS..SBendtrans-114.5151.8-176.5-52.80000112.7P31 D32 S38 G39 N45P31-S36 WeakPolarHBondContact CB-OG 3.22Å; D32-S36 VanDerWaalsContact O-CB 3.24Å; D32-S36 WeakPolarHBondContact O-CB 3.26Å; D32-S36 PolarHBondContact O-N 2.78Å; D32-S36 PolarHBondContact O-OG 3.18Å; S36-S38 PolarHBondContact O-N 3.31Å; S36-G39 PolarHBondContact O-N 3.07Å; S36-G39 VanDerWaalsContact O-N 3.13Å; S36-N45 PolarHBondContact O-ND2 3.23Å
37G88Confident94.1Very high55 Ų5547.7 Ų47.757%0.56731%0.314SS*.THydrogen-bonded Turntrans68-118.3178.600000112.1N45G37-N45 WeakPolarHBondContact CA-OD1 3.44Å
38S87.2Confident93.8Very high69 Ų6943.9 Ų43.948%0.48329%0.289SS..THydrogen-bonded Turntrans-89.81.2174.665.70000114S36 N40 N45 R48S36-S38 PolarHBondContact O-N 3.31Å; S38-N40 PolarHBondContact O-N 3.36Å; S38-N40 VanDerWaalsContact O-N 3.11Å; S38-N45 PolarHBondContact N-OD1 2.76Å; S38-N45 PolarHBondContact OG-OD1 3.09Å; S38-R48 PolarHBondContact OG-NH1 3.47Å
39G89.8Confident93.5Very high33 Ų3342 Ų4234%0.3427%0.273SS..SBendtrans67.75.7-176.800000115.5P33 R34 S36P33-G39 CarbonylContact O-C 3.3Å; P33-G39 VanDerWaalsContact O-C 3.3Å; P33-G39 WeakPolarHBondContact O-CA 3.41Å; R34-G39 VanDerWaalsContact O-CA 3.29Å; R34-G39 WeakPolarHBondContact O-CA 3.46Å; S36-G39 PolarHBondContact O-N 3.07Å; S36-G39 VanDerWaalsContact O-N 3.13Å
40N92.2Very high93.1Very high33 Ų3340 Ų4018%0.17625%0.253CS..  trans-102.3115.1178.7-175.433000109.1S38 G42 N45 G105 K106S38-N40 PolarHBondContact O-N 3.36Å; S38-N40 VanDerWaalsContact O-N 3.11Å; N40-G42 VanDerWaalsContact C-N 3.3Å; N40-G42 PolarHBondContact O-N 3.47Å; N40-N45 WeakPolarHBondContact O-CB 3.21Å; N40-N45 PolarHBondContact O-ND2 3.41Å; N40-G105 WeakPolarHBondContact OD1-CA 3.49Å; N40-K106 WeakPolarHBondContact ND2-CG 3.29Å
41P94Very high92.8Very high4 Ų438.9 Ų38.93%0.02625%0.252CS..  trans-78.875.4-173.933.9-37.6000111.9A21 I22 P33 R34 G104A21-P41 VanDerWaalsContact CB-C 3.45Å; A21-P41 HydrophobicContact CB-CB 3.96Å; A21-P41 WeakPolarHBondContact CB-O 3.02Å; I22-P41 HydrophobicContact CG1-CB 4.45Å; P33-P41 HydrophobicContact CB-CB 4.25Å; P33-P41 HydrophobicContact CG-CB 3.97Å; R34-P41 HydrophobicContact CG-CB 4.13Å; R34-P41 HydrophobicContact CG-CG 4.11Å; P41-G104 VanDerWaalsContact CD-O 3.29Å; P41-G104 WeakPolarHBondContact CD-O 3.16Å; P41-G104 WeakPolarHBondContact CG-O 3.3Å
42G94.8Very high92.7Very high11 Ų1142.3 Ų42.311%0.11326%0.26CS..SBendtrans-142.7171.617300000112.4N40 T44 N45 V46N40-G42 VanDerWaalsContact C-N 3.3Å; N40-G42 PolarHBondContact O-N 3.47Å; G42-T44 VanDerWaalsContact C-N 3.31Å; G42-T44 PolarHBondContact O-N 3.14Å; G42-T44 VanDerWaalsContact O-N 3.17Å; G42-N45 PolarHBondContact O-N 3Å; G42-V46 PolarHBondContact O-N 3.2Å
43A96.1Very high92.7Very high18 Ų1843 Ų4315%0.14928%0.277CS..Hα-helixtrans-50.6-43.6-172.900000114N45 V46 L47 V58 L59A43-N45 VanDerWaalsContact C-N 3.29Å; A43-N45 PolarHBondContact O-N 3.31Å; A43-V46 PolarHBondContact O-N 3.11Å; A43-L47 PolarHBondContact O-N 3.09Å; A43-V58 HydrophobicContact CB-CB 4.42Å; A43-V58 HydrophobicContact CB-CG1 4.1Å; A43-L59 HydrophobicContact CB-CB 3.96Å; A43-L59 HydrophobicContact CB-CD1 4.45Å
44T93.8Very high92.7Very high47 Ų4743.7 Ų43.729%0.28828%0.283SS..Hα-helixtrans-60.8-36.4178.6-50.40000112.7G42 R48 S140 I192G42-T44 VanDerWaalsContact C-N 3.31Å; G42-T44 PolarHBondContact O-N 3.14Å; G42-T44 VanDerWaalsContact O-N 3.17Å; T44-R48 PolarHBondContact O-N 2.86Å; T44-S140 PolarHBondContact OG1-OG 3.37Å; T44-S140 VanDerWaalsContact OG1-OG 3.07Å; T44-I192 HydrophobicContact CG2-CD1 4.45Å; T44-I192 HydrophobicContact CG2-CG1 4.19Å
45N94Very high92.8Very high3 Ų340.5 Ų40.52%0.01627%0.273CS..Hα-helixtrans-76.9-38.6176.8-166.835.5000111.6P33 S36 G37 S38 N40 G42 A43 L47 R48 I49P33-N45 PolarHBondContact O-ND2 3.21Å; S36-N45 PolarHBondContact O-ND2 3.23Å; G37-N45 WeakPolarHBondContact CA-OD1 3.44Å; S38-N45 PolarHBondContact N-OD1 2.76Å; S38-N45 PolarHBondContact OG-OD1 3.09Å; N40-N45 WeakPolarHBondContact O-CB 3.21Å; N40-N45 PolarHBondContact O-ND2 3.41Å; G42-N45 PolarHBondContact O-N 3Å; A43-N45 VanDerWaalsContact C-N 3.29Å; A43-N45 PolarHBondContact O-N 3.31Å; N45-L47 PolarHBondContact O-N 3.44Å; N45-R48 WeakPolarHBondContact O-CA 3.32Å; N45-R48 VanDerWaalsContact O-CB 3.22Å; N45-R48 WeakPolarHBondContact O-CB 3.46Å; N45-R48 PolarHBondContact O-N 2.85Å; N45-R48 PolarHBondContact OD1-NH1 3.43Å; N45-I49 PolarHBondContact O-N 3.28Å
46V95.7Very high93Very high0 Ų038.8 Ų38.80%026%0.262CS..Hα-helixtrans-61.8-35.4175.7177.20000111.2A21 P33 G42 A43 R48 I49 G50 G51 A54 V58A21-V46 HydrophobicContact CB-CG2 3.94Å; P33-V46 HydrophobicContact CB-CG2 4.33Å; G42-V46 PolarHBondContact O-N 3.2Å; A43-V46 PolarHBondContact O-N 3.11Å; V46-R48 VanDerWaalsContact C-N 3.26Å; V46-R48 PolarHBondContact O-N 2.88Å; V46-I49 PolarHBondContact O-N 3.21Å; V46-G50 PolarHBondContact O-N 3.06Å; V46-G51 PolarHBondContact O-N 3.42Å; V46-A54 HydrophobicContact CG1-CB 3.68Å; V46-V58 HydrophobicContact CB-CG2 4.41Å; V46-V58 HydrophobicContact CG1-CG2 4.14Å; V46-V58 HydrophobicContact CG2-CG2 4.15Å
47L94.5Very high93.2Very high47 Ų4738.9 Ų38.925%0.24627%0.265CS..Hα-helixtrans-59.4-38.8169.8-178.862.3000111.9A43 N45 K52 A55 I192 K195A43-L47 PolarHBondContact O-N 3.09Å; N45-L47 PolarHBondContact O-N 3.44Å; L47-K52 HydrophobicContact CD1-CB 4.31Å; L47-K52 HydrophobicContact CD1-CG 3.71Å; L47-A55 HydrophobicContact CB-CB 3.63Å; L47-A55 HydrophobicContact CD1-CB 4.16Å; L47-A55 HydrophobicContact CG-CB 4.47Å; L47-I192 HydrophobicContact CD2-CG2 4.1Å; L47-K195 PolarHBondContact O-NZ 3.2Å
48R90Very high93.7Very high72 Ų7236.2 Ų36.227%0.27224%0.238SC..Hα-helixtrans-68.8-42.5179.4-169.4177.7-69.4115.9-5.1111.9S38 T44 N45 V46 K195S38-R48 PolarHBondContact OG-NH1 3.47Å; T44-R48 PolarHBondContact O-N 2.86Å; N45-R48 WeakPolarHBondContact O-CA 3.32Å; N45-R48 VanDerWaalsContact O-CB 3.22Å; N45-R48 WeakPolarHBondContact O-CB 3.46Å; N45-R48 PolarHBondContact O-N 2.85Å; N45-R48 PolarHBondContact OD1-NH1 3.43Å; V46-R48 VanDerWaalsContact C-N 3.26Å; V46-R48 PolarHBondContact O-N 2.88Å; R48-K195 WeakPolarHBondContact O-CE 3.38Å; R48-K195 PolarHBondContact O-NZ 3.15Å
49I91.7Very high94.2Very high36 Ų3636.9 Ų36.919%0.18524%0.235CC..Hα-helixtrans-94.6-31.7-172.665.3177.6000114.8P31 P33 N45 V46P31-I49 WeakPolarHBondContact O-CD1 3.39Å; P33-I49 HydrophobicContact CB-CD1 3.89Å; N45-I49 PolarHBondContact O-N 3.28Å; V46-I49 PolarHBondContact O-N 3.21Å
50G86.6Confident94.6Very high31 Ų3139.6 Ų39.632%0.3224%0.241SC..THydrogen-bonded Turntrans-110.8-67.3-178.100000112.5V46V46-G50 PolarHBondContact O-N 3.06Å
51G90.3Very high94.9Very high20 Ų2043.4 Ų43.421%0.20626%0.256CS..  trans156-177-177.300000113.1V46 A55V46-G51 PolarHBondContact O-N 3.42Å; G51-A55 WeakPolarHBondContact O-CB 3.45Å; G51-A55 PolarHBondContact O-N 2.96Å; G51-A55 VanDerWaalsContact O-N 3.1Å
52K93.7Very high95.1Very high142 Ų14243.4 Ų43.462%0.61726%0.256SS*.Hα-helixtrans-62-45-174.3-69.8-177.4178.8-178.30112.6L47 A55 V56L47-K52 HydrophobicContact CD1-CB 4.31Å; L47-K52 HydrophobicContact CD1-CG 3.71Å; K52-A55 PolarHBondContact O-N 2.93Å; K52-V56 WeakPolarHBondContact O-CG2 3.28Å; K52-V56 PolarHBondContact O-N 3.4Å
53G96.2Very high95.3Very high60 Ų6043.9 Ų43.962%0.61926%0.257SS*.Hα-helixtrans-58-53.9-178.700000112.8A55 V56 A57G53-A55 VanDerWaalsContact C-N 3.32Å; G53-A55 PolarHBondContact O-N 3.38Å; G53-V56 PolarHBondContact O-N 3.38Å; G53-A57 PolarHBondContact O-N 2.99Å
54A96.8Very high95.4Very high15 Ų1546 Ų4612%0.12427%0.265CS..Hα-helixtrans-60.8-39.6176.700000112.4V24 L30 V46 A57 V58V24-A54 HydrophobicContact CG1-CB 3.94Å; L30-A54 HydrophobicContact CD1-CB 3.81Å; V46-A54 HydrophobicContact CG1-CB 3.68Å; A54-A57 PolarHBondContact O-N 3.19Å; A54-V58 VanDerWaalsContact O-CG2 3.28Å; A54-V58 WeakPolarHBondContact O-CG2 3.46Å; A54-V58 PolarHBondContact O-N 3.32Å
55A96.9Very high95.6Very high9 Ų944.6 Ų44.67%0.07426%0.255CS..Hα-helixtrans-64.8-40.7178.300000113L47 G51 K52 G53 V58 L59L47-A55 HydrophobicContact CB-CB 3.63Å; L47-A55 HydrophobicContact CD1-CB 4.16Å; L47-A55 HydrophobicContact CG-CB 4.47Å; G51-A55 WeakPolarHBondContact O-CB 3.45Å; G51-A55 PolarHBondContact O-N 2.96Å; G51-A55 VanDerWaalsContact O-N 3.1Å; K52-A55 PolarHBondContact O-N 2.93Å; G53-A55 VanDerWaalsContact C-N 3.32Å; G53-A55 PolarHBondContact O-N 3.38Å; A55-V58 PolarHBondContact O-N 3.23Å; A55-L59 WeakPolarHBondContact O-CB 3.26Å; A55-L59 PolarHBondContact O-N 3.44Å
56V97.7Very high95.8Very high82 Ų8244.4 Ų44.450%0.49725%0.254SS..Hα-helixtrans-65.4-44.6176.7169.50000110.4K52 G53 V58 L59 I60K52-V56 WeakPolarHBondContact O-CG2 3.28Å; K52-V56 PolarHBondContact O-N 3.4Å; G53-V56 PolarHBondContact O-N 3.38Å; V56-V58 VanDerWaalsContact C-N 3.33Å; V56-V58 PolarHBondContact O-N 2.94Å; V56-L59 WeakPolarHBondContact O-CB 3.44Å; V56-L59 PolarHBondContact O-N 3.13Å; V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 HydrophobicContact CG1-CG1 4.38Å; V56-I60 WeakPolarHBondContact O-CG1 3.28Å; V56-I60 PolarHBondContact O-N 3.29Å
57A97.9Very high95.9Very high29 Ų2945.8 Ų45.824%0.2426%0.261CS..Hα-helixtrans-57.1-47.6175.700000111.4V24 G53 A54 L59 I60 F61V24-A57 HydrophobicContact CG1-CB 4.35Å; V24-A57 HydrophobicContact CG2-CB 4.26Å; G53-A57 PolarHBondContact O-N 2.99Å; A54-A57 PolarHBondContact O-N 3.19Å; A57-L59 VanDerWaalsContact C-N 3.33Å; A57-L59 PolarHBondContact O-N 2.88Å; A57-I60 PolarHBondContact O-N 3.24Å; A57-F61 WeakPolarHBondContact O-CD2 3.19Å; A57-F61 PolarHBondContact O-N 3.09Å
58V98.2Very high96.1Very high0 Ų048.9 Ų48.90%028%0.277CS..Hα-helixtrans-60.6-43.1176.91720000111.8A21 V24 A43 V46 A54 A55 V56 F61 D62A21-V58 HydrophobicContact CB-CG1 3.92Å; A21-V58 HydrophobicContact CB-CG2 4.43Å; V24-V58 HydrophobicContact CB-CG2 3.6Å; V24-V58 HydrophobicContact CG1-CG2 3.9Å; V24-V58 HydrophobicContact CG2-CG2 3.75Å; A43-V58 HydrophobicContact CB-CB 4.42Å; A43-V58 HydrophobicContact CB-CG1 4.1Å; V46-V58 HydrophobicContact CB-CG2 4.41Å; V46-V58 HydrophobicContact CG1-CG2 4.14Å; V46-V58 HydrophobicContact CG2-CG2 4.15Å; A54-V58 VanDerWaalsContact O-CG2 3.28Å; A54-V58 WeakPolarHBondContact O-CG2 3.46Å; A54-V58 PolarHBondContact O-N 3.32Å; A55-V58 PolarHBondContact O-N 3.23Å; V56-V58 VanDerWaalsContact C-N 3.33Å; V56-V58 PolarHBondContact O-N 2.94Å; V58-F61 PolarHBondContact O-N 2.98Å; V58-D62 VanDerWaalsContact O-CB 3.27Å; V58-D62 WeakPolarHBondContact O-CB 3.23Å; V58-D62 PolarHBondContact O-N 3.24Å
59L97.9Very high96.5Very high82 Ų8245.8 Ų45.843%0.42927%0.266SS..Hα-helixtrans-60.1-48.5177.4-178.363.5000111.1A43 A55 V56 A57 D62 V63 A109A43-L59 HydrophobicContact CB-CB 3.96Å; A43-L59 HydrophobicContact CB-CD1 4.45Å; A55-L59 WeakPolarHBondContact O-CB 3.26Å; A55-L59 PolarHBondContact O-N 3.44Å; V56-L59 WeakPolarHBondContact O-CB 3.44Å; V56-L59 PolarHBondContact O-N 3.13Å; A57-L59 VanDerWaalsContact C-N 3.33Å; A57-L59 PolarHBondContact O-N 2.88Å; L59-D62 PolarHBondContact O-N 2.89Å; L59-V63 HydrophobicContact CD1-CG2 4.33Å; L59-V63 WeakPolarHBondContact O-CB 3.43Å; L59-V63 VanDerWaalsContact O-CG2 3.27Å; L59-V63 WeakPolarHBondContact O-CG2 3.35Å; L59-V63 PolarHBondContact O-N 3.25Å; L59-A109 HydrophobicContact CD1-CB 3.78Å
60I98.3Very high96.8Very high90 Ų9044.4 Ų44.446%0.46226%0.259SS..Hα-helixtrans-58.4-52.3179.5-69.1167.9000110.4V56 A57 D62 V63 L64V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 HydrophobicContact CG1-CG1 4.38Å; V56-I60 WeakPolarHBondContact O-CG1 3.28Å; V56-I60 PolarHBondContact O-N 3.29Å; A57-I60 PolarHBondContact O-N 3.24Å; I60-D62 PolarHBondContact O-N 3.13Å; I60-V63 PolarHBondContact O-N 3.06Å; I60-L64 HydrophobicContact CG2-CD1 3.82Å; I60-L64 HydrophobicContact CG2-CG 4.32Å; I60-L64 WeakPolarHBondContact O-CB 3.22Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.39Å; I60-L64 PolarHBondContact O-N 3.16Å
61F98.4Very high97.3Very high114 Ų11446.2 Ų46.250%0.526%0.257SS..Hα-helixtrans-65.5-36.9-179.2-73.5-63.1000113S20 V24 A57 V58 V63 L64 K65S20-F61 VanDerWaalsContact OG-CB 3.3Å; S20-F61 WeakPolarHBondContact OG-CB 3.37Å; V24-F61 HydrophobicContact CG2-CD2 4.46Å; A57-F61 WeakPolarHBondContact O-CD2 3.19Å; A57-F61 PolarHBondContact O-N 3.09Å; V58-F61 PolarHBondContact O-N 2.98Å; F61-V63 VanDerWaalsContact C-N 3.34Å; F61-L64 PolarHBondContact O-N 2.97Å; F61-K65 PolarHBondContact O-N 2.71Å
62D98.4Very high97.6Very high3 Ų346.8 Ų46.82%0.01626%0.262CS..Hα-helixtrans-69.3-30.4176.3-77.8-18.7000113.1S20 V58 L59 I60 K65 H94 A109 T110S20-D62 VanDerWaalsContact CB-OD1 3.32Å; S20-D62 WeakPolarHBondContact CB-OD1 3.41Å; S20-D62 PolarHBondContact OG-OD1 3.17Å; V58-D62 VanDerWaalsContact O-CB 3.27Å; V58-D62 WeakPolarHBondContact O-CB 3.23Å; V58-D62 PolarHBondContact O-N 3.24Å; L59-D62 PolarHBondContact O-N 2.89Å; I60-D62 PolarHBondContact O-N 3.13Å; D62-K65 WeakPolarHBondContact O-CG 3.28Å; D62-K65 VanDerWaalsContact OD1-CE 3.23Å; D62-K65 WeakPolarHBondContact OD1-CE 3.43Å; D62-K65 IonicContact OD1-NZ 2.77Å; D62-K65 PolarHBondContact OD1-NZ 3.02Å; D62-H94 IonicContact OD1-CE1 3.85Å; D62-H94 IonicContact OD1-ND1 3.69Å; D62-H94 IonicContact OD2-CE1 3.41Å; D62-H94 PolarHBondContact OD2-CE1 3.37Å; D62-H94 IonicContact OD2-ND1 3.98Å; D62-A109 HydrophobicContact CB-CB 3.74Å; D62-T110 WeakPolarHBondContact O-CA 3.27Å; D62-T110 PolarHBondContact O-N 3.39Å; D62-T110 PolarHBondContact O-OG1 3.11Å
63V98.4Very high97.8Very high22 Ų2240 Ų4013%0.13323%0.233CC..Hα-helixtrans-69.4-50.8169.9169.50000109.9L59 I60 F61 K65 G66 M67 A109 F112L59-V63 HydrophobicContact CD1-CG2 4.33Å; L59-V63 WeakPolarHBondContact O-CB 3.43Å; L59-V63 VanDerWaalsContact O-CG2 3.27Å; L59-V63 WeakPolarHBondContact O-CG2 3.35Å; L59-V63 PolarHBondContact O-N 3.25Å; I60-V63 PolarHBondContact O-N 3.06Å; F61-V63 VanDerWaalsContact C-N 3.34Å; V63-K65 VanDerWaalsContact C-N 3.33Å; V63-K65 PolarHBondContact O-N 3.13Å; V63-G66 PolarHBondContact O-N 2.8Å; V63-G66 VanDerWaalsContact O-N 3.09Å; V63-M67 HydrophobicContact CG1-CE 4.16Å; V63-M67 WeakPolarHBondContact O-CB 3.43Å; V63-M67 PolarHBondContact O-N 3.07Å; V63-A109 WeakPolarHBondContact CA-O 3.21Å; V63-A109 HydrophobicContact CG2-CB 4.15Å; V63-F112 HydrophobicContact CG1-CD1 4.32Å; V63-F112 HydrophobicContact CG2-CD1 3.92Å
64L98.4Very high97.8Very high63 Ų6341.4 Ų41.433%0.3322%0.22SC..Hα-helixtrans-58.9-41.7-177.1-72.7175.1000112.5I60 F61 G66 M67 L68I60-L64 HydrophobicContact CG2-CD1 3.82Å; I60-L64 HydrophobicContact CG2-CG 4.32Å; I60-L64 WeakPolarHBondContact O-CB 3.22Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.39Å; I60-L64 PolarHBondContact O-N 3.16Å; F61-L64 PolarHBondContact O-N 2.97Å; L64-G66 PolarHBondContact O-N 2.77Å; L64-M67 HydrophobicContact CD2-SD 4.41Å; L64-M67 PolarHBondContact O-N 3.45Å; L64-L68 HydrophobicContact CB-CD1 4.45Å; L64-L68 WeakPolarHBondContact O-CB 3.4Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.26Å; L64-L68 PolarHBondContact O-N 3.08Å
65K98.1Very high97.7Very high16 Ų1646.9 Ų46.97%0.0724%0.243CC..Hα-helixtrans-68-20.2-179.676.5-170.1-167.2-174.90114.2G16 I18 F61 D62 V63 P69 H94 T110G16-K65 WeakPolarHBondContact O-CE 3.3Å; G16-K65 PolarHBondContact O-NZ 3.12Å; I18-K65 PolarHBondContact O-NZ 3Å; F61-K65 PolarHBondContact O-N 2.71Å; D62-K65 WeakPolarHBondContact O-CG 3.28Å; D62-K65 VanDerWaalsContact OD1-CE 3.23Å; D62-K65 WeakPolarHBondContact OD1-CE 3.43Å; D62-K65 IonicContact OD1-NZ 2.77Å; D62-K65 PolarHBondContact OD1-NZ 3.02Å; V63-K65 VanDerWaalsContact C-N 3.33Å; V63-K65 PolarHBondContact O-N 3.13Å; K65-P69 VanDerWaalsContact O-CD 3.26Å; K65-P69 WeakPolarHBondContact O-CD 3.12Å; K65-P69 VanDerWaalsContact O-CG 3.24Å; K65-P69 WeakPolarHBondContact O-CG 3.4Å; K65-H94 WeakPolarHBondContact CE-ND1 3.32Å; K65-H94 PolarHBondContact NZ-ND1 3.42Å; K65-T110 VanDerWaalsContact CE-OG1 3.22Å; K65-T110 WeakPolarHBondContact CE-OG1 3.39Å; K65-T110 HydrophobicContact CG-CG2 4.22Å
66G98Very high97.7Very high0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-87.3-40.4169.600000112.1V63 L64 V70V63-G66 PolarHBondContact O-N 2.8Å; V63-G66 VanDerWaalsContact O-N 3.09Å; L64-G66 PolarHBondContact O-N 2.77Å; G66-V70 VanDerWaalsContact O-CG2 3.25Å; G66-V70 WeakPolarHBondContact O-CG2 3.49Å
67M98.1Very high97.5Very high28 Ų2850.6 Ų50.614%0.13827%0.274CS..Hα-helixtrans-66-55.6-178.3-177.5-175.8-84.700112.3V63 L64 V70 W71 G113 A116 W120V63-M67 HydrophobicContact CG1-CE 4.16Å; V63-M67 WeakPolarHBondContact O-CB 3.43Å; V63-M67 PolarHBondContact O-N 3.07Å; L64-M67 HydrophobicContact CD2-SD 4.41Å; L64-M67 PolarHBondContact O-N 3.45Å; M67-V70 PolarHBondContact O-N 3.43Å; M67-W71 HydrophobicContact CG-CE3 3.81Å; M67-W71 HydrophobicContact CG-CZ3 4.45Å; M67-W71 VanDerWaalsContact O-CB 3.22Å; M67-W71 WeakPolarHBondContact O-CB 3.29Å; M67-W71 PolarHBondContact O-N 2.72Å; M67-W71 HydrophobicContact SD-CE3 4.34Å; M67-G113 VanDerWaalsContact CA-O 3.24Å; M67-G113 WeakPolarHBondContact CA-O 3.36Å; M67-G113 WeakPolarHBondContact CB-O 3.38Å; M67-A116 HydrophobicContact CE-CB 3.34Å; M67-A116 HydrophobicContact CG-CB 4.31Å; M67-W120 HydrophobicContact CE-CH2 4.36Å; M67-W120 HydrophobicContact CE-CZ3 4.48Å
68L98.2Very high97.3Very high113 Ų11350 Ų5059%0.59227%0.268SS*.Hα-helixtrans-57.7-51.1-170.9-66.3177.1000114.4L64 V70 W71 G72L64-L68 HydrophobicContact CB-CD1 4.45Å; L64-L68 WeakPolarHBondContact O-CB 3.4Å; L64-L68 VanDerWaalsContact O-CG 3.32Å; L64-L68 WeakPolarHBondContact O-CG 3.26Å; L64-L68 PolarHBondContact O-N 3.08Å; L68-V70 PolarHBondContact O-N 2.94Å; L68-W71 PolarHBondContact O-N 3.43Å; L68-G72 PolarHBondContact O-N 2.77Å
69P98Very high97.2Very high7 Ų752.2 Ų52.25%0.04528%0.283CS..Hα-helixtrans-67.9-35.8-179.325.8-34000112.6M8 A12 C15 K65 A73M8-P69 WeakPolarHBondContact CE-O 3.17Å; A12-P69 HydrophobicContact CB-CB 3.82Å; A12-P69 HydrophobicContact CB-CG 4.09Å; C15-P69 HydrophobicContact CB-CG 4.47Å; K65-P69 VanDerWaalsContact O-CD 3.26Å; K65-P69 WeakPolarHBondContact O-CD 3.12Å; K65-P69 VanDerWaalsContact O-CG 3.24Å; K65-P69 WeakPolarHBondContact O-CG 3.4Å; P69-A73 WeakPolarHBondContact O-CB 3.4Å; P69-A73 PolarHBondContact O-N 3.27Å; P69-A73 VanDerWaalsContact O-N 3.08Å
70V97.9Very high97.1Very high6 Ų650.2 Ų50.24%0.03628%0.275CS..Hα-helixtrans-72.6-39.9178.9-177.10000110.7G66 M67 L68 A73 Y74 L83 I86 A87 A114 P117G66-V70 VanDerWaalsContact O-CG2 3.25Å; G66-V70 WeakPolarHBondContact O-CG2 3.49Å; M67-V70 PolarHBondContact O-N 3.43Å; L68-V70 PolarHBondContact O-N 2.94Å; V70-A73 PolarHBondContact O-N 2.88Å; V70-Y74 WeakPolarHBondContact O-CB 3.32Å; V70-Y74 PolarHBondContact O-N 3.4Å; V70-L83 HydrophobicContact CG1-CD2 4.19Å; V70-I86 HydrophobicContact CG2-CG2 3.97Å; V70-A87 HydrophobicContact CG2-CB 3.99Å; V70-A114 WeakPolarHBondContact CG1-O 3.3Å; V70-A114 HydrophobicContact CG2-CB 3.88Å; V70-P117 HydrophobicContact CB-CG 4.33Å; V70-P117 HydrophobicContact CG1-CG 4.11Å
71W97.5Very high97Very high70 Ų7050.6 Ų50.627%0.26527%0.273SS..Hα-helixtrans-62.6-48.4175.1-155.8-55.7000111M67 L68 A73 Y74 E75 A116 P117 W120M67-W71 HydrophobicContact CG-CE3 3.81Å; M67-W71 HydrophobicContact CG-CZ3 4.45Å; M67-W71 VanDerWaalsContact O-CB 3.22Å; M67-W71 WeakPolarHBondContact O-CB 3.29Å; M67-W71 PolarHBondContact O-N 2.72Å; M67-W71 HydrophobicContact SD-CE3 4.34Å; L68-W71 PolarHBondContact O-N 3.43Å; W71-A73 VanDerWaalsContact C-N 3.28Å; W71-A73 PolarHBondContact O-N 3.21Å; W71-Y74 WeakPolarHBondContact O-CB 3.24Å; W71-Y74 PolarHBondContact O-N 3.03Å; W71-E75 PolarHBondContact NE1-OE1 3.01Å; W71-E75 WeakPolarHBondContact O-CG 3.37Å; W71-E75 PolarHBondContact O-N 2.98Å; W71-A116 HydrophobicContact CZ3-CB 4.2Å; W71-P117 HydrophobicContact CB-CB 4.34Å; W71-P117 HydrophobicContact CB-CG 3.71Å; W71-P117 HydrophobicContact CD2-CB 4.07Å; W71-P117 HydrophobicContact CD2-CG 3.92Å; W71-P117 HydrophobicContact CE3-CB 4.11Å; W71-P117 HydrophobicContact CE3-CG 3.69Å; W71-P117 HydrophobicContact CG-CB 4.22Å; W71-P117 HydrophobicContact CG-CG 4Å; W71-W120 AromaticContact CH2-CE2 3.83Å; W71-W120 HydrophobicContact CH2-CH2 4.2Å; W71-W120 AromaticContact CH2-CZ2 3.46Å; W71-W120 HydrophobicContact CH2-CZ2 3.46Å; W71-W120 VanDerWaalsContact CH2-CZ2 3.46Å; W71-W120 HydrophobicContact CZ3-CH2 4.07Å; W71-W120 AromaticContact CZ3-CZ2 3.81Å; W71-W120 HydrophobicContact CZ3-CZ2 3.81Å
72G97.2Very high96.9Very high31 Ų3148 Ų4832%0.3226%0.26SS..Hα-helixtrans-57.5-42.1176.400000112.2L68 E75 L76L68-G72 PolarHBondContact O-N 2.77Å; G72-E75 PolarHBondContact O-N 2.99Å; G72-L76 VanDerWaalsContact O-CG 3.23Å; G72-L76 WeakPolarHBondContact O-CG 3.28Å; G72-L76 PolarHBondContact O-N 3.13Å; G72-L76 VanDerWaalsContact O-N 3.16Å
73A97.1Very high96.9Very high0 Ų048.3 Ų48.30%026%0.262CS..Hα-helixtrans-66.4-36.9175.700000112.8M8 P69 V70 W71 L76 G77 V78 L83 I86M8-A73 HydrophobicContact CB-CB 4.31Å; M8-A73 HydrophobicContact CE-CB 4Å; M8-A73 HydrophobicContact CG-CB 4.18Å; P69-A73 WeakPolarHBondContact O-CB 3.4Å; P69-A73 PolarHBondContact O-N 3.27Å; P69-A73 VanDerWaalsContact O-N 3.08Å; V70-A73 PolarHBondContact O-N 2.88Å; W71-A73 VanDerWaalsContact C-N 3.28Å; W71-A73 PolarHBondContact O-N 3.21Å; A73-L76 PolarHBondContact O-N 3.47Å; A73-G77 PolarHBondContact O-N 3.34Å; A73-V78 HydrophobicContact CB-CB 4.22Å; A73-V78 HydrophobicContact CB-CG2 4.04Å; A73-V78 WeakPolarHBondContact O-CB 3.49Å; A73-V78 VanDerWaalsContact O-CG2 3.22Å; A73-V78 WeakPolarHBondContact O-CG2 3.41Å; A73-V78 PolarHBondContact O-N 3.36Å; A73-V78 VanDerWaalsContact O-N 3.12Å; A73-L83 HydrophobicContact CB-CD2 3.64Å; A73-I86 HydrophobicContact CB-CD1 3.53Å
74Y96.2Very high96.8Very high89 Ų8947.4 Ų47.435%0.34926%0.257SS..Hα-helixtrans-61.6-47.5177.2-179-87.6000111.2V70 W71 L76 G77 L83 P117 F162V70-Y74 WeakPolarHBondContact O-CB 3.32Å; V70-Y74 PolarHBondContact O-N 3.4Å; W71-Y74 WeakPolarHBondContact O-CB 3.24Å; W71-Y74 PolarHBondContact O-N 3.03Å; Y74-L76 VanDerWaalsContact C-N 3.26Å; Y74-L76 PolarHBondContact O-N 3.24Å; Y74-G77 PolarHBondContact O-N 3.41Å; Y74-L83 HydrophobicContact CD2-CD1 3.76Å; Y74-P117 HydrophobicContact CD2-CB 4.43Å; Y74-P117 HydrophobicContact CG-CB 4.17Å; Y74-F162 HydrophobicContact CD2-CZ 4.38Å; Y74-F162 HydrophobicContact CE2-CE1 4.41Å; Y74-F162 HydrophobicContact CE2-CE2 4.47Å; Y74-F162 AromaticContact CE2-CZ 3.74Å; Y74-F162 HydrophobicContact CE2-CZ 3.74Å
75E95.4Very high96.8Very high131 Ų13146.6 Ų46.661%0.61225%0.253SS*.Hα-helixtrans-65.7-28.2177.5-61.9-62.7162.400112.7W71 G72 G77W71-E75 PolarHBondContact NE1-OE1 3.01Å; W71-E75 WeakPolarHBondContact O-CG 3.37Å; W71-E75 PolarHBondContact O-N 2.98Å; G72-E75 PolarHBondContact O-N 2.99Å; E75-G77 PolarHBondContact O-N 2.94Å
76L95.5Very high96.8Very high102 Ų10245.8 Ų45.853%0.53425%0.249SC..THydrogen-bonded Turntrans-75.94.2172.8-67.9171.9000113.4I4 M8 G72 A73 Y74 V78I4-L76 HydrophobicContact CG2-CB 4.36Å; I4-L76 HydrophobicContact CG2-CD1 3.82Å; M8-L76 HydrophobicContact SD-CD1 4.43Å; G72-L76 VanDerWaalsContact O-CG 3.23Å; G72-L76 WeakPolarHBondContact O-CG 3.28Å; G72-L76 PolarHBondContact O-N 3.13Å; G72-L76 VanDerWaalsContact O-N 3.16Å; A73-L76 PolarHBondContact O-N 3.47Å; Y74-L76 VanDerWaalsContact C-N 3.26Å; Y74-L76 PolarHBondContact O-N 3.24Å; L76-V78 VanDerWaalsContact C-N 3.31Å; L76-V78 HydrophobicContact CB-CG2 4.4Å; L76-V78 PolarHBondContact O-N 3.23Å
77G93.8Very high96.8Very high66 Ų6646 Ų4668%0.6825%0.251SS*.THydrogen-bonded Turntrans71.324178.300000113.7A73 Y74 E75 S79A73-G77 PolarHBondContact O-N 3.34Å; Y74-G77 PolarHBondContact O-N 3.41Å; E75-G77 PolarHBondContact O-N 2.94Å; G77-S79 PolarHBondContact O-N 3.29Å
78V95.2Very high96.9Very high18 Ų1846.1 Ų46.111%0.10925%0.252CS..  trans-64.3133.9176.1175.30000109.6I4 A5 A73 L76 W82 L83 I86I4-V78 HydrophobicContact CG2-CG2 4.1Å; A5-V78 HydrophobicContact CB-CG1 4.3Å; A73-V78 HydrophobicContact CB-CB 4.22Å; A73-V78 HydrophobicContact CB-CG2 4.04Å; A73-V78 WeakPolarHBondContact O-CB 3.49Å; A73-V78 VanDerWaalsContact O-CG2 3.22Å; A73-V78 WeakPolarHBondContact O-CG2 3.41Å; A73-V78 PolarHBondContact O-N 3.36Å; A73-V78 VanDerWaalsContact O-N 3.12Å; L76-V78 VanDerWaalsContact C-N 3.31Å; L76-V78 HydrophobicContact CB-CG2 4.4Å; L76-V78 PolarHBondContact O-N 3.23Å; V78-W82 HydrophobicContact CG1-CB 3.25Å; V78-W82 HydrophobicContact CG1-CG 4.25Å; V78-L83 HydrophobicContact CB-CD2 4.24Å; V78-L83 HydrophobicContact CB-CG 4.38Å; V78-L83 HydrophobicContact CG1-CD2 4.35Å; V78-L83 HydrophobicContact CG1-CG 4.23Å; V78-L83 WeakPolarHBondContact O-CD1 3.32Å; V78-I86 HydrophobicContact CG1-CD1 3.99Å
79S95.3Very high96.9Very high46 Ų4641.1 Ų41.132%0.32223%0.227SC..  trans-65155.3-175.182.10000112.3G77 F81 W82 L83G77-S79 PolarHBondContact O-N 3.29Å; S79-F81 VanDerWaalsContact C-N 3.28Å; S79-F81 PolarHBondContact O-N 2.77Å; S79-F81 VanDerWaalsContact O-N 3.16Å; S79-W82 PolarHBondContact O-N 2.77Å; S79-W82 VanDerWaalsContact OG-CD1 3.29Å; S79-L83 PolarHBondContact O-N 3.41Å
80P96.2Very high96.9Very high40 Ų4040.8 Ų40.826%0.2622%0.224SC..Hα-helixtrans-51.3-42.8-177.2-30.736.3000114.3W82 L83 G84 Q161 F162 P165P80-W82 VanDerWaalsContact C-N 3.34Å; P80-W82 PolarHBondContact O-N 3.46Å; P80-L83 WeakPolarHBondContact O-CB 3.47Å; P80-L83 PolarHBondContact O-N 3.35Å; P80-G84 PolarHBondContact O-N 3.11Å; P80-Q161 VanDerWaalsContact CB-O 3.31Å; P80-Q161 WeakPolarHBondContact CB-O 3.37Å; P80-Q161 HydrophobicContact CG-CB 4.38Å; P80-Q161 HydrophobicContact CG-CG 4.3Å; P80-F162 HydrophobicContact CB-CD1 3.73Å; P80-F162 HydrophobicContact CB-CE1 3.78Å; P80-F162 HydrophobicContact CG-CD1 4.19Å; P80-F162 HydrophobicContact CG-CE1 3.79Å; P80-F162 HydrophobicContact CG-CZ 4.33Å; P80-P165 VanDerWaalsContact C-CG 3.44Å; P80-P165 HydrophobicContact CB-CG 4.04Å; P80-P165 WeakPolarHBondContact O-CG 3.39Å
81F96.1Very high97Very high97 Ų9740.5 Ų40.543%0.42522%0.223SC..Hα-helixtrans-56.2-47.2177.9175.7-100.3000112.1S79 G84 L85 F164S79-F81 VanDerWaalsContact C-N 3.28Å; S79-F81 PolarHBondContact O-N 2.77Å; S79-F81 VanDerWaalsContact O-N 3.16Å; F81-G84 PolarHBondContact O-N 3.45Å; F81-L85 HydrophobicContact CD1-CD1 4.24Å; F81-L85 HydrophobicContact CE1-CD1 3.59Å; F81-L85 HydrophobicContact CE1-CG 4.32Å; F81-L85 HydrophobicContact CZ-CD1 3.97Å; F81-L85 HydrophobicContact CZ-CG 4.44Å; F81-L85 PolarHBondContact O-N 3.22Å; F81-F164 HydrophobicContact CD2-CD1 4.18Å; F81-F164 AromaticContact CD2-CE1 3.8Å; F81-F164 HydrophobicContact CD2-CE1 3.8Å; F81-F164 AromaticContact CE2-CE1 3.88Å; F81-F164 HydrophobicContact CE2-CE1 3.88Å
82W96.4Very high97Very high59 Ų5939.7 Ų39.722%0.22322%0.223CC..Hα-helixtrans-69.7-35178.7-73.1109.7000112.4M1 A5 I9 V78 S79 P80 G84 L85 I86M1-W82 HydrophobicContact SD-CZ2 4.09Å; M1-W82 PolarHBondContact SD-NE1 3.15Å; A5-W82 HydrophobicContact CB-CB 4.11Å; A5-W82 HydrophobicContact CB-CD2 3.71Å; A5-W82 HydrophobicContact CB-CE3 3.83Å; A5-W82 HydrophobicContact CB-CG 3.82Å; I9-W82 HydrophobicContact CD1-CE3 3.83Å; I9-W82 HydrophobicContact CD1-CZ3 3.75Å; V78-W82 HydrophobicContact CG1-CB 3.25Å; V78-W82 HydrophobicContact CG1-CG 4.25Å; S79-W82 PolarHBondContact O-N 2.77Å; S79-W82 VanDerWaalsContact OG-CD1 3.29Å; P80-W82 VanDerWaalsContact C-N 3.34Å; P80-W82 PolarHBondContact O-N 3.46Å; W82-G84 PolarHBondContact O-N 3.23Å; W82-L85 HydrophobicContact CD2-CD1 4.42Å; W82-L85 HydrophobicContact CE3-CD1 3.7Å; W82-L85 HydrophobicContact CZ3-CD1 3.79Å; W82-L85 PolarHBondContact O-N 2.71Å; W82-L85 VanDerWaalsContact O-N 3.11Å; W82-I86 WeakPolarHBondContact O-CD1 3.29Å; W82-I86 WeakPolarHBondContact O-CG1 3.17Å; W82-I86 PolarHBondContact O-N 2.9Å
83L97.2Very high97.1Very high10 Ų1038.2 Ų38.25%0.05221%0.208CC..Hα-helixtrans-59.3-38.6171.8-69.3169.3000111.7V70 A73 Y74 V78 S79 P80 I86 A87 F162V70-L83 HydrophobicContact CG1-CD2 4.19Å; A73-L83 HydrophobicContact CB-CD2 3.64Å; Y74-L83 HydrophobicContact CD2-CD1 3.76Å; V78-L83 HydrophobicContact CB-CD2 4.24Å; V78-L83 HydrophobicContact CB-CG 4.38Å; V78-L83 HydrophobicContact CG1-CD2 4.35Å; V78-L83 HydrophobicContact CG1-CG 4.23Å; V78-L83 WeakPolarHBondContact O-CD1 3.32Å; S79-L83 PolarHBondContact O-N 3.41Å; P80-L83 WeakPolarHBondContact O-CB 3.47Å; P80-L83 PolarHBondContact O-N 3.35Å; L83-I86 PolarHBondContact O-N 3.26Å; L83-A87 WeakPolarHBondContact O-CB 3.39Å; L83-A87 PolarHBondContact O-N 3.02Å; L83-F162 HydrophobicContact CD1-CE1 3.8Å
84G97.5Very high97.2Very high3 Ų338.8 Ų38.83%0.03121%0.211CC..Hα-helixtrans-58.8-45.9171.500000112.8P80 F81 W82 A87 I88P80-G84 PolarHBondContact O-N 3.11Å; F81-G84 PolarHBondContact O-N 3.45Å; W82-G84 PolarHBondContact O-N 3.23Å; G84-A87 PolarHBondContact O-N 2.82Å; G84-I88 WeakPolarHBondContact O-CB 3.32Å; G84-I88 VanDerWaalsContact O-CG1 3.28Å; G84-I88 WeakPolarHBondContact O-CG1 3.49Å; G84-I88 PolarHBondContact O-N 2.95Å
85L98.1Very high97.2Very high46 Ų4634.7 Ų34.724%0.24120%0.195CC..Hα-helixtrans-65.5-38.2176.9-65-179.2000112.8I9 F81 W82 I88 A89 M168I9-L85 HydrophobicContact CD1-CB 3.97Å; I9-L85 HydrophobicContact CD1-CD1 4.46Å; I9-L85 HydrophobicContact CG1-CB 4.41Å; F81-L85 HydrophobicContact CD1-CD1 4.24Å; F81-L85 HydrophobicContact CE1-CD1 3.59Å; F81-L85 HydrophobicContact CE1-CG 4.32Å; F81-L85 HydrophobicContact CZ-CD1 3.97Å; F81-L85 HydrophobicContact CZ-CG 4.44Å; F81-L85 PolarHBondContact O-N 3.22Å; W82-L85 HydrophobicContact CD2-CD1 4.42Å; W82-L85 HydrophobicContact CE3-CD1 3.7Å; W82-L85 HydrophobicContact CZ3-CD1 3.79Å; W82-L85 PolarHBondContact O-N 2.71Å; W82-L85 VanDerWaalsContact O-N 3.11Å; L85-I88 PolarHBondContact O-N 3.17Å; L85-A89 WeakPolarHBondContact O-CB 3.45Å; L85-A89 PolarHBondContact O-N 3.36Å; L85-M168 HydrophobicContact CD2-CE 3.71Å
86I98.3Very high97.4Very high0 Ų034.8 Ų34.80%019%0.19CC..Hα-helixtrans-66.5-43.2176.4-66.1164.4000110.3M8 I9 A12 V70 A73 V78 W82 L83 A89 A90M8-I86 HydrophobicContact CB-CD1 3.65Å; M8-I86 HydrophobicContact CB-CG1 4.12Å; I9-I86 HydrophobicContact CG1-CG1 3.69Å; A12-I86 HydrophobicContact CB-CG2 3.66Å; A12-I86 WeakPolarHBondContact CB-O 3.43Å; V70-I86 HydrophobicContact CG2-CG2 3.97Å; A73-I86 HydrophobicContact CB-CD1 3.53Å; V78-I86 HydrophobicContact CG1-CD1 3.99Å; W82-I86 WeakPolarHBondContact O-CD1 3.29Å; W82-I86 WeakPolarHBondContact O-CG1 3.17Å; W82-I86 PolarHBondContact O-N 2.9Å; L83-I86 PolarHBondContact O-N 3.26Å; I86-A89 WeakPolarHBondContact O-CB 3.45Å; I86-A89 PolarHBondContact O-N 2.91Å; I86-A90 PolarHBondContact O-N 3.24Å
87A98.6Very high97.5Very high5 Ų530 Ų304%0.04117%0.165CC..Hα-helixtrans-62.3-42.8175.100000112.1V70 L83 G84 A90 C91 A114 L169V70-A87 HydrophobicContact CG2-CB 3.99Å; L83-A87 WeakPolarHBondContact O-CB 3.39Å; L83-A87 PolarHBondContact O-N 3.02Å; G84-A87 PolarHBondContact O-N 2.82Å; A87-A90 PolarHBondContact O-N 2.81Å; A87-C91 PolarHBondContact O-N 3.43Å; A87-C91 PolarHBondContact O-SG 3.32Å; A87-C91 VanDerWaalsContact O-SG 3.38Å; A87-A114 HydrophobicContact CB-CB 3.72Å; A87-L169 HydrophobicContact CB-CD2 4.15Å
88I98.6Very high97.7Very high30 Ų3029.5 Ų29.515%0.15415%0.148CC..Hα-helixtrans-60.4-46.4172.7-74.4165.8000110.1G84 L85 A90 C91 L92 M168 L169 L172G84-I88 WeakPolarHBondContact O-CB 3.32Å; G84-I88 VanDerWaalsContact O-CG1 3.28Å; G84-I88 WeakPolarHBondContact O-CG1 3.49Å; G84-I88 PolarHBondContact O-N 2.95Å; L85-I88 PolarHBondContact O-N 3.17Å; I88-A90 PolarHBondContact O-N 3.33Å; I88-C91 CarbonylContact O-C 3.32Å; I88-C91 PolarHBondContact O-N 3.2Å; I88-C91 VanDerWaalsContact O-N 3.09Å; I88-L92 HydrophobicContact CG2-CD1 3.67Å; I88-L92 HydrophobicContact CG2-CG 3.97Å; I88-L92 WeakPolarHBondContact O-CB 3.37Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.3Å; I88-L92 PolarHBondContact O-N 3.2Å; I88-M168 HydrophobicContact CD1-CB 3.73Å; I88-M168 HydrophobicContact CD1-CE 3.83Å; I88-L169 HydrophobicContact CG1-CD1 4.24Å; I88-L172 HydrophobicContact CG2-CD2 4.27Å
89A98.7Very high97.9Very high7 Ų734.3 Ų34.36%0.05817%0.168CC..Hα-helixtrans-59-44.1178.900000112.3I9 A12 Y13 L85 I86 C91 L92 G93I9-A89 HydrophobicContact CG2-CB 3.89Å; I9-A89 WeakPolarHBondContact O-CB 3.21Å; A12-A89 HydrophobicContact CB-CB 4.13Å; Y13-A89 WeakPolarHBondContact CA-O 3.2Å; L85-A89 WeakPolarHBondContact O-CB 3.45Å; L85-A89 PolarHBondContact O-N 3.36Å; I86-A89 WeakPolarHBondContact O-CB 3.45Å; I86-A89 PolarHBondContact O-N 2.91Å; A89-C91 VanDerWaalsContact C-N 3.34Å; A89-C91 PolarHBondContact O-N 3.39Å; A89-L92 PolarHBondContact O-N 3.43Å; A89-G93 PolarHBondContact O-N 3.45Å
90A98.8Very high97.9Very high0 Ų033.3 Ų33.30%016%0.158CC..Hα-helixtrans-59.1-43.417300000112.4A12 G16 I86 A87 I88 G93 H94 T110A12-A90 HydrophobicContact CB-CB 4.15Å; A12-A90 WeakPolarHBondContact O-CA 3.22Å; G16-A90 WeakPolarHBondContact CA-O 3.33Å; I86-A90 PolarHBondContact O-N 3.24Å; A87-A90 PolarHBondContact O-N 2.81Å; I88-A90 PolarHBondContact O-N 3.33Å; A90-G93 PolarHBondContact O-N 3.02Å; A90-H94 PolarHBondContact O-N 2.83Å; A90-T110 HydrophobicContact CB-CG2 4Å
91C98.6Very high97.9Very high0 Ų033.9 Ų33.90%017%0.171CC..Hα-helixtrans-68.6-38.7177.6-69.40000112.7A87 I88 A89 G93 H94 I95 L169 L172A87-C91 PolarHBondContact O-N 3.43Å; A87-C91 PolarHBondContact O-SG 3.32Å; A87-C91 VanDerWaalsContact O-SG 3.38Å; I88-C91 CarbonylContact O-C 3.32Å; I88-C91 PolarHBondContact O-N 3.2Å; I88-C91 VanDerWaalsContact O-N 3.09Å; A89-C91 VanDerWaalsContact C-N 3.34Å; A89-C91 PolarHBondContact O-N 3.39Å; C91-G93 VanDerWaalsContact C-N 3.32Å; C91-H94 WeakPolarHBondContact O-CB 3.46Å; C91-H94 PolarHBondContact O-N 3.3Å; C91-H94 VanDerWaalsContact O-N 3.14Å; C91-I95 WeakPolarHBondContact O-CD1 3.47Å; C91-I95 WeakPolarHBondContact O-CG1 3.35Å; C91-I95 PolarHBondContact O-N 3.39Å; C91-L169 HydrophobicContact CB-CD1 4.23Å; C91-L172 HydrophobicContact CB-CD2 3.69Å
92L98.6Very high98Very high53 Ų5334.6 Ų34.628%0.27717%0.174SC..Hα-helixtrans-63.1-40.1173.5-69.8176.8000111Y13 I88 A89 H94 I95 W96 L172Y13-L92 HydrophobicContact CD2-CB 4.31Å; Y13-L92 HydrophobicContact CE2-CB 4.49Å; I88-L92 HydrophobicContact CG2-CD1 3.67Å; I88-L92 HydrophobicContact CG2-CG 3.97Å; I88-L92 WeakPolarHBondContact O-CB 3.37Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.3Å; I88-L92 PolarHBondContact O-N 3.2Å; A89-L92 PolarHBondContact O-N 3.43Å; L92-H94 VanDerWaalsContact C-N 3.32Å; L92-H94 PolarHBondContact O-N 2.75Å; L92-I95 PolarHBondContact O-N 2.89Å; L92-W96 HydrophobicContact CD2-CE3 3.68Å; L92-W96 HydrophobicContact CD2-CZ3 3.37Å; L92-W96 WeakPolarHBondContact O-CA 3.42Å; L92-W96 PolarHBondContact O-N 3.5Å; L92-L172 HydrophobicContact CD2-CD1 4.03Å; L92-L172 HydrophobicContact CD2-CD2 4.23Å; L92-L172 HydrophobicContact CG-CD2 4.35Å
93G98.6Very high98Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-59.4-43.1170.600000111.7Y13 G16 S17 A89 A90 C91 I95 W96 P97Y13-G93 WeakPolarHBondContact O-CA 3.41Å; G16-G93 CarbonylContact O-C 3.59Å; S17-G93 WeakPolarHBondContact CA-O 3.49Å; S17-G93 WeakPolarHBondContact OG-CA 3.36Å; A89-G93 PolarHBondContact O-N 3.45Å; A90-G93 PolarHBondContact O-N 3.02Å; C91-G93 VanDerWaalsContact C-N 3.32Å; G93-I95 PolarHBondContact O-N 3.37Å; G93-W96 CarbonylContact O-C 3.41Å; G93-P97 WeakPolarHBondContact O-CA 3.28Å; G93-P97 VanDerWaalsContact O-CB 3.29Å; G93-P97 WeakPolarHBondContact O-CB 3.42Å; G93-P97 WeakPolarHBondContact O-CD 3.36Å
94H98.4Very high97.9Very high12 Ų1238.7 Ų38.76%0.05620%0.195CC..Hα-helixtrans-65.4-38176.1177107.7000113G16 D62 K65 A90 C91 L92 G104 G105 K106 G107 T110G16-H94 VanDerWaalsContact O-CA 3.26Å; G16-H94 WeakPolarHBondContact O-CA 3.32Å; G16-H94 PolarHBondContact O-N 2.94Å; D62-H94 IonicContact OD1-CE1 3.85Å; D62-H94 IonicContact OD1-ND1 3.69Å; D62-H94 IonicContact OD2-CE1 3.41Å; D62-H94 PolarHBondContact OD2-CE1 3.37Å; D62-H94 IonicContact OD2-ND1 3.98Å; K65-H94 WeakPolarHBondContact CE-ND1 3.32Å; K65-H94 PolarHBondContact NZ-ND1 3.42Å; A90-H94 PolarHBondContact O-N 2.83Å; C91-H94 WeakPolarHBondContact O-CB 3.46Å; C91-H94 PolarHBondContact O-N 3.3Å; C91-H94 VanDerWaalsContact O-N 3.14Å; L92-H94 VanDerWaalsContact C-N 3.32Å; L92-H94 PolarHBondContact O-N 2.75Å; H94-G104 CarbonylContact O-C 3Å; H94-G104 VanDerWaalsContact O-CA 3.29Å; H94-G104 WeakPolarHBondContact O-CA 3.32Å; H94-G105 VanDerWaalsContact NE2-CA 3.28Å; H94-G105 WeakPolarHBondContact NE2-CA 3.46Å; H94-G105 PolarHBondContact O-N 3.35Å; H94-K106 PolarHBondContact NE2-N 3.46Å; H94-G107 VanDerWaalsContact CD2-CA 3.46Å; H94-G107 WeakPolarHBondContact CD2-CA 3.28Å; H94-G107 PolarHBondContact CD2-N 2.89Å; H94-G107 PolarHBondContact NE2-N 2.93Å; H94-T110 HydrophobicContact CB-CG2 4.4Å; H94-T110 PolarHBondContact ND1-OG1 2.9Å
95I98Very high97.8Very high4 Ų438.6 Ų38.62%0.02119%0.194CC..Hα-helixtrans-77.5-44.5-177.1-66.5163.8000110.8C91 L92 G93 P97 G104 L172 R176C91-I95 WeakPolarHBondContact O-CD1 3.47Å; C91-I95 WeakPolarHBondContact O-CG1 3.35Å; C91-I95 PolarHBondContact O-N 3.39Å; L92-I95 PolarHBondContact O-N 2.89Å; G93-I95 PolarHBondContact O-N 3.37Å; I95-P97 WeakPolarHBondContact O-CD 3.48Å; I95-G104 CarbonylContact O-C 3.56Å; I95-G104 WeakPolarHBondContact O-CA 3.27Å; I95-G104 PolarHBondContact O-N 3.3Å; I95-L172 HydrophobicContact CD1-CD1 4.12Å; I95-L172 HydrophobicContact CD1-CD2 4.3Å; I95-L172 HydrophobicContact CD1-CG 4.21Å; I95-R176 HydrophobicContact CD1-CB 4.46Å; I95-R176 HydrophobicContact CD1-CG 4.15Å; I95-R176 HydrophobicContact CG1-CG 4.35Å
96W98Very high97.7Very high132 Ų13237.8 Ų37.850%0.519%0.189SC..SBendtrans-123.670.4-179.5-65.5-66.3000110.5Y13 L92 G93 V98 F102Y13-W96 PolarHBondContact OH-O 3.35Å; L92-W96 HydrophobicContact CD2-CE3 3.68Å; L92-W96 HydrophobicContact CD2-CZ3 3.37Å; L92-W96 WeakPolarHBondContact O-CA 3.42Å; L92-W96 PolarHBondContact O-N 3.5Å; G93-W96 CarbonylContact O-C 3.41Å; W96-V98 PolarHBondContact O-N 3.39Å; W96-F102 HydrophobicContact CB-CB 4.31Å; W96-F102 HydrophobicContact CB-CD1 4.1Å; W96-F102 WeakPolarHBondContact O-CD1 3.28Å
97P98.4Very high97.7Very high1 Ų137.8 Ų37.81%0.00619%0.189CC..  trans-71.3117.6-175.927.1-35.6000111.7S17 G93 I95 F99 F100 F102 G104S17-P97 WeakPolarHBondContact O-CB 3.4Å; G93-P97 WeakPolarHBondContact O-CA 3.28Å; G93-P97 VanDerWaalsContact O-CB 3.29Å; G93-P97 WeakPolarHBondContact O-CB 3.42Å; G93-P97 WeakPolarHBondContact O-CD 3.36Å; I95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-F99 PolarHBondContact O-N 3.42Å; P97-F100 HydrophobicContact CB-CB 4.22Å; P97-F100 HydrophobicContact CB-CD2 4.11Å; P97-F100 HydrophobicContact CG-CB 3.94Å; P97-F100 PolarHBondContact O-N 3.44Å; P97-F102 WeakPolarHBondContact O-CA 3.24Å; P97-F102 PolarHBondContact O-N 3.05Å; P97-G104 VanDerWaalsContact CD-CA 3.48Å
98V98.5Very high97.6Very high56 Ų5639.6 Ų39.634%0.33920%0.2SC..G310 helixtrans-57.7-36.9-179.264.40000112.3Y13 L14 S17 W96 F100 F102Y13-V98 HydrophobicContact CE1-CB 4.08Å; Y13-V98 HydrophobicContact CE1-CG1 4.06Å; L14-V98 HydrophobicContact CD2-CG1 4.21Å; S17-V98 PolarHBondContact OG-N 2.85Å; W96-V98 PolarHBondContact O-N 3.39Å; V98-F100 VanDerWaalsContact C-N 3.27Å; V98-F100 PolarHBondContact O-N 3.45Å; V98-F102 HydrophobicContact CB-CE1 4.03Å; V98-F102 HydrophobicContact CB-CZ 4.21Å; V98-F102 HydrophobicContact CG2-CE1 4.19Å; V98-F102 HydrophobicContact CG2-CZ 3.87Å
99F98Very high97.6Very high120 Ų12039 Ų3953%0.52620%0.199SC..G310 helixtrans-76.1-10.3-178.6-51.5-55.7000114.5L14 I18 P97L14-F99 HydrophobicContact CD2-CZ 3.97Å; L14-F99 WeakPolarHBondContact O-CE2 3.35Å; I18-F99 HydrophobicContact CG1-CE2 4.5Å; P97-F99 PolarHBondContact O-N 3.42Å
100F97Very high97.6Very high25 Ų2538.7 Ų38.711%0.1120%0.196CC..G310 helixtrans-128.231.7-173.1-60.9-87.2000112.5S17 I22 L23 R34 P97 V98 F102S17-F100 VanDerWaalsContact O-CD2 3.26Å; S17-F100 WeakPolarHBondContact O-CD2 3.29Å; S17-F100 WeakPolarHBondContact O-CE2 3.45Å; I22-F100 HydrophobicContact CB-CD1 4.11Å; I22-F100 HydrophobicContact CB-CE1 4.09Å; I22-F100 HydrophobicContact CD1-CB 3.81Å; I22-F100 HydrophobicContact CD1-CD1 3.59Å; I22-F100 HydrophobicContact CD1-CE1 4.41Å; I22-F100 HydrophobicContact CD1-CG 3.85Å; I22-F100 HydrophobicContact CG1-CD1 4.46Å; I22-F100 HydrophobicContact CG2-CD1 3.84Å; I22-F100 HydrophobicContact CG2-CE1 3.8Å; L23-F100 HydrophobicContact CD1-CZ 4.37Å; L23-F100 HydrophobicContact CD2-CE1 4.29Å; L23-F100 HydrophobicContact CD2-CZ 3.98Å; L23-F100 HydrophobicContact CG-CE1 4.48Å; L23-F100 HydrophobicContact CG-CZ 3.98Å; R34-F100 PolarHBondContact NH1-O 2.79Å; P97-F100 HydrophobicContact CB-CB 4.22Å; P97-F100 HydrophobicContact CB-CD2 4.11Å; P97-F100 HydrophobicContact CG-CB 3.94Å; P97-F100 PolarHBondContact O-N 3.44Å; V98-F100 VanDerWaalsContact C-N 3.27Å; V98-F100 PolarHBondContact O-N 3.45Å; F100-F102 VanDerWaalsContact C-N 3.31Å; F100-F102 PolarHBondContact O-N 3.4Å
101G96.3Very high97.6Very high51 Ų5139 Ų3953%0.52620%0.199SC..THydrogen-bonded Turntrans66.631.4175.800000113.2K103G101-K103 PolarHBondContact O-N 3.03Å; G101-K103 VanDerWaalsContact O-N 3.08Å
102F97.2Very high97.6Very high113 Ų11342 Ų4250%0.49621%0.213SC..THydrogen-bonded Turntrans57.123179.5-54.3-84.1000114.5Y13 W96 P97 V98 F100Y13-F102 WeakPolarHBondContact OH-CE1 3.23Å; W96-F102 HydrophobicContact CB-CB 4.31Å; W96-F102 HydrophobicContact CB-CD1 4.1Å; W96-F102 WeakPolarHBondContact O-CD1 3.28Å; P97-F102 WeakPolarHBondContact O-CA 3.24Å; P97-F102 PolarHBondContact O-N 3.05Å; V98-F102 HydrophobicContact CB-CE1 4.03Å; V98-F102 HydrophobicContact CB-CZ 4.21Å; V98-F102 HydrophobicContact CG2-CE1 4.19Å; V98-F102 HydrophobicContact CG2-CZ 3.87Å; F100-F102 VanDerWaalsContact C-N 3.31Å; F100-F102 PolarHBondContact O-N 3.4Å
103K95.9Very high97.5Very high147 Ų14739.5 Ų39.564%0.63920%0.199SC*.  trans-11186.7177.5-69.9179.1-175.2-179.20110.3G101G101-K103 PolarHBondContact O-N 3.03Å; G101-K103 VanDerWaalsContact O-N 3.08Å
104G96.6Very high97.5Very high8 Ų839.8 Ų39.88%0.08220%0.201CC..  trans-114.4-161-175.900000114.3P41 H94 I95 P97P41-G104 VanDerWaalsContact CD-O 3.29Å; P41-G104 WeakPolarHBondContact CD-O 3.16Å; P41-G104 WeakPolarHBondContact CG-O 3.3Å; H94-G104 CarbonylContact O-C 3Å; H94-G104 VanDerWaalsContact O-CA 3.29Å; H94-G104 WeakPolarHBondContact O-CA 3.32Å; I95-G104 CarbonylContact O-C 3.56Å; I95-G104 WeakPolarHBondContact O-CA 3.27Å; I95-G104 PolarHBondContact O-N 3.3Å; P97-G104 VanDerWaalsContact CD-CA 3.48Å
105G95.6Very high97.4Very high1 Ų139.9 Ų39.91%0.0120%0.202CC..  trans-94.3-146.7-172.800000113.9N40 H94 R176N40-G105 WeakPolarHBondContact OD1-CA 3.49Å; H94-G105 VanDerWaalsContact NE2-CA 3.28Å; H94-G105 WeakPolarHBondContact NE2-CA 3.46Å; H94-G105 PolarHBondContact O-N 3.35Å; G105-R176 PolarHBondContact O-NE 3.42Å
106K96.1Very high97.3Very high28 Ų2839.8 Ų39.812%0.12220%0.202CC..  trans-111.5-7.8-178.6-66.9-176.2-179.8166.30115N40 H94 V108 I173 R176 N180N40-K106 WeakPolarHBondContact ND2-CG 3.29Å; H94-K106 PolarHBondContact NE2-N 3.46Å; K106-V108 PolarHBondContact O-N 2.93Å; K106-I173 WeakPolarHBondContact O-CD1 3.42Å; K106-R176 HydrophobicContact CB-CG 3.97Å; K106-R176 HydrophobicContact CG-CG 3.97Å; K106-N180 WeakPolarHBondContact CE-OD1 3.47Å; K106-N180 PolarHBondContact NZ-ND2 3.43Å; K106-N180 PolarHBondContact NZ-OD1 3.3Å
107G97.1Very high97.1Very high1 Ų133.9 Ų33.91%0.0118%0.181CC..  trans820.7171.800000116.3H94 A109 T110 A111H94-G107 VanDerWaalsContact CD2-CA 3.46Å; H94-G107 WeakPolarHBondContact CD2-CA 3.28Å; H94-G107 PolarHBondContact CD2-N 2.89Å; H94-G107 PolarHBondContact NE2-N 2.93Å; G107-A109 PolarHBondContact O-N 3.06Å; G107-T110 PolarHBondContact O-N 3.5Å; G107-A111 WeakPolarHBondContact O-CB 3.35Å; G107-A111 PolarHBondContact O-N 2.92Å
108V97.6Very high96.9Very high43 Ų4334.8 Ų34.826%0.26119%0.185SC..Hα-helixtrans-58.9-50.5-175.6-176.70000112.8K106 T110 A111 F112 A144 I173 H177K106-V108 PolarHBondContact O-N 2.93Å; V108-T110 VanDerWaalsContact C-N 3.31Å; V108-T110 PolarHBondContact O-N 2.95Å; V108-A111 PolarHBondContact O-N 3.11Å; V108-F112 WeakPolarHBondContact O-CB 3.33Å; V108-F112 PolarHBondContact O-N 3.24Å; V108-A144 HydrophobicContact CB-CB 4.41Å; V108-A144 HydrophobicContact CG1-CB 3.89Å; V108-A144 HydrophobicContact CG2-CB 3.59Å; V108-I173 HydrophobicContact CG2-CG2 4.36Å; V108-H177 WeakPolarHBondContact CG2-CE1 3.25Å
109A98.1Very high96.7Very high17 Ų1732.8 Ų32.814%0.1418%0.176CC..Hα-helixtrans-65.1-37.1178.900000112L59 D62 V63 G107 F112 G113L59-A109 HydrophobicContact CD1-CB 3.78Å; D62-A109 HydrophobicContact CB-CB 3.74Å; V63-A109 WeakPolarHBondContact CA-O 3.21Å; V63-A109 HydrophobicContact CG2-CB 4.15Å; G107-A109 PolarHBondContact O-N 3.06Å; A109-F112 PolarHBondContact O-N 3.18Å; A109-G113 PolarHBondContact O-N 2.94Å
110T98.5Very high96.5Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-67.6-40.9176.5-55.70000111.7D62 K65 A90 H94 G107 V108 G113 A114D62-T110 WeakPolarHBondContact O-CA 3.27Å; D62-T110 PolarHBondContact O-N 3.39Å; D62-T110 PolarHBondContact O-OG1 3.11Å; K65-T110 VanDerWaalsContact CE-OG1 3.22Å; K65-T110 WeakPolarHBondContact CE-OG1 3.39Å; K65-T110 HydrophobicContact CG-CG2 4.22Å; A90-T110 HydrophobicContact CB-CG2 4Å; H94-T110 HydrophobicContact CB-CG2 4.4Å; H94-T110 PolarHBondContact ND1-OG1 2.9Å; G107-T110 PolarHBondContact O-N 3.5Å; V108-T110 VanDerWaalsContact C-N 3.31Å; V108-T110 PolarHBondContact O-N 2.95Å; T110-G113 PolarHBondContact O-N 3.31Å; T110-A114 WeakPolarHBondContact O-CB 3.41Å; T110-A114 PolarHBondContact O-N 3.39Å
111A98.3Very high96.3Very high8 Ų837.8 Ų37.87%0.06620%0.197CC..Hα-helixtrans-65.3-41.4173.300000111.9G107 V108 G113 A114 I115 L169 I173G107-A111 WeakPolarHBondContact O-CB 3.35Å; G107-A111 PolarHBondContact O-N 2.92Å; V108-A111 PolarHBondContact O-N 3.11Å; A111-G113 PolarHBondContact O-N 3.49Å; A111-A114 PolarHBondContact O-N 2.94Å; A111-I115 WeakPolarHBondContact O-CG1 3.5Å; A111-I115 PolarHBondContact O-N 3.46Å; A111-I115 VanDerWaalsContact O-N 3.13Å; A111-L169 HydrophobicContact CB-CD1 4.16Å; A111-L169 HydrophobicContact CB-CD2 3.87Å; A111-L169 HydrophobicContact CB-CG 4.06Å; A111-I173 HydrophobicContact CB-CD1 3.87Å; A111-I173 HydrophobicContact CB-CG1 3.96Å
112F98.1Very high96.2Very high63 Ų6335.4 Ų35.428%0.27617%0.172SC..Hα-helixtrans-59.1-46.9174175.1-100.9000111.6V63 V108 A109 A114 I115 T123 M126 A127V63-F112 HydrophobicContact CG1-CD1 4.32Å; V63-F112 HydrophobicContact CG2-CD1 3.92Å; V108-F112 WeakPolarHBondContact O-CB 3.33Å; V108-F112 PolarHBondContact O-N 3.24Å; A109-F112 PolarHBondContact O-N 3.18Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 3.41Å; F112-I115 PolarHBondContact O-N 2.98Å; F112-T123 HydrophobicContact CE1-CG2 4.11Å; F112-T123 HydrophobicContact CE2-CG2 3.76Å; F112-T123 WeakPolarHBondContact CE2-O 3.48Å; F112-T123 HydrophobicContact CZ-CG2 3.4Å; F112-M126 HydrophobicContact CD2-CB 4.33Å; F112-M126 HydrophobicContact CE2-CB 4.18Å; F112-A127 HydrophobicContact CE2-CB 3.86Å; F112-A127 HydrophobicContact CZ-CB 3.86Å
113G98.1Very high96.1Very high0 Ų030.6 Ų30.60%015%0.151CC..Hα-helixtrans-60.7-40.8174.400000113.1M67 A109 T110 A111 I115 A116M67-G113 VanDerWaalsContact CA-O 3.24Å; M67-G113 WeakPolarHBondContact CA-O 3.36Å; M67-G113 WeakPolarHBondContact CB-O 3.38Å; A109-G113 PolarHBondContact O-N 2.94Å; T110-G113 PolarHBondContact O-N 3.31Å; A111-G113 PolarHBondContact O-N 3.49Å; G113-I115 PolarHBondContact O-N 3.45Å; G113-A116 VanDerWaalsContact O-CB 3.32Å; G113-A116 WeakPolarHBondContact O-CB 3.22Å; G113-A116 PolarHBondContact O-N 2.86Å; G113-A116 VanDerWaalsContact O-N 3.13Å
114A98Very high96.1Very high5 Ų525.6 Ų25.64%0.04114%0.142CC..Hα-helixtrans-65.1-22.9178.500000114.1V70 A87 T110 A111 F112 P117 L169V70-A114 WeakPolarHBondContact CG1-O 3.3Å; V70-A114 HydrophobicContact CG2-CB 3.88Å; A87-A114 HydrophobicContact CB-CB 3.72Å; T110-A114 WeakPolarHBondContact O-CB 3.41Å; T110-A114 PolarHBondContact O-N 3.39Å; A111-A114 PolarHBondContact O-N 2.94Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 3.41Å; A114-P117 WeakPolarHBondContact O-CD 3.47Å; A114-L169 HydrophobicContact CB-CD2 4.45Å
115I96.1Very high96.1Very high15 Ų1527.8 Ų27.88%0.07715%0.154CC..Hα-helixtrans-79.9-24175.9-71.1168000111.5A111 F112 G113 I118 L122 L169A111-I115 WeakPolarHBondContact O-CG1 3.5Å; A111-I115 PolarHBondContact O-N 3.46Å; A111-I115 VanDerWaalsContact O-N 3.13Å; F112-I115 PolarHBondContact O-N 2.98Å; G113-I115 PolarHBondContact O-N 3.45Å; I115-I118 HydrophobicContact CG2-CD1 4.41Å; I115-I118 WeakPolarHBondContact O-CB 3.15Å; I115-I118 WeakPolarHBondContact O-CG1 3.45Å; I115-I118 PolarHBondContact O-N 3.02Å; I115-L122 HydrophobicContact CG2-CD2 3.53Å; I115-L122 HydrophobicContact CG2-CG 3.94Å; I115-L169 HydrophobicContact CG1-CD2 4.44Å
116A96.2Very high96.2Very high1 Ų128.1 Ų28.11%0.00816%0.155CC..G310 helixtrans-55.6-38.1-172.600000116.7M67 W71 G113 I118 G119 T123M67-A116 HydrophobicContact CE-CB 3.34Å; M67-A116 HydrophobicContact CG-CB 4.31Å; W71-A116 HydrophobicContact CZ3-CB 4.2Å; G113-A116 VanDerWaalsContact O-CB 3.32Å; G113-A116 WeakPolarHBondContact O-CB 3.22Å; G113-A116 PolarHBondContact O-N 2.86Å; G113-A116 VanDerWaalsContact O-N 3.13Å; A116-I118 PolarHBondContact O-N 3.21Å; A116-I118 VanDerWaalsContact O-N 3.13Å; A116-G119 PolarHBondContact O-N 3.11Å; A116-G119 VanDerWaalsContact O-N 3.17Å; A116-T123 VanDerWaalsContact CA-OG1 3.28Å; A116-T123 WeakPolarHBondContact CA-OG1 3.13Å; A116-T123 HydrophobicContact CB-CG2 4.3Å
117P94.5Very high96.2Very high9 Ų928.7 Ų28.76%0.05817%0.165CC..G310 helixtrans-61.3-20.2177-23.934.8000114.5V70 W71 Y74 A114 G119V70-P117 HydrophobicContact CB-CG 4.33Å; V70-P117 HydrophobicContact CG1-CG 4.11Å; W71-P117 HydrophobicContact CB-CB 4.34Å; W71-P117 HydrophobicContact CB-CG 3.71Å; W71-P117 HydrophobicContact CD2-CB 4.07Å; W71-P117 HydrophobicContact CD2-CG 3.92Å; W71-P117 HydrophobicContact CE3-CB 4.11Å; W71-P117 HydrophobicContact CE3-CG 3.69Å; W71-P117 HydrophobicContact CG-CB 4.22Å; W71-P117 HydrophobicContact CG-CG 4Å; Y74-P117 HydrophobicContact CD2-CB 4.43Å; Y74-P117 HydrophobicContact CG-CB 4.17Å; A114-P117 WeakPolarHBondContact O-CD 3.47Å; P117-G119 VanDerWaalsContact C-N 3.33Å
118I93.6Very high96.2Very high20 Ų2030.4 Ų30.410%0.10318%0.183CC..G310 helixtrans-70.2-33.9179.1-60171.6000111I115 A116 L122 K159 F162 V166I115-I118 HydrophobicContact CG2-CD1 4.41Å; I115-I118 WeakPolarHBondContact O-CB 3.15Å; I115-I118 WeakPolarHBondContact O-CG1 3.45Å; I115-I118 PolarHBondContact O-N 3.02Å; A116-I118 PolarHBondContact O-N 3.21Å; A116-I118 VanDerWaalsContact O-N 3.13Å; I118-L122 HydrophobicContact CB-CD2 4.01Å; I118-L122 HydrophobicContact CD1-CD2 4.28Å; I118-L122 HydrophobicContact CG2-CD2 3.73Å; I118-K159 HydrophobicContact CG2-CB 3.98Å; I118-K159 HydrophobicContact CG2-CG 3.88Å; I118-F162 HydrophobicContact CB-CD2 4.48Å; I118-F162 HydrophobicContact CD1-CB 3.87Å; I118-F162 HydrophobicContact CD1-CD1 4.44Å; I118-F162 HydrophobicContact CD1-CD2 4.5Å; I118-F162 HydrophobicContact CD1-CG 4.03Å; I118-F162 HydrophobicContact CG1-CB 4.42Å; I118-F162 HydrophobicContact CG1-CD1 4.32Å; I118-F162 HydrophobicContact CG1-CD2 4.17Å; I118-F162 HydrophobicContact CG1-CG 4.05Å; I118-F162 HydrophobicContact CG2-CD2 3.69Å; I118-F162 HydrophobicContact CG2-CE2 4.21Å; I118-F162 HydrophobicContact CG2-CG 4.27Å; I118-V166 HydrophobicContact CD1-CG2 3.8Å
119G93.2Very high96.3Very high14 Ų1429.1 Ų29.114%0.14418%0.175CC..  trans163.7141.6-178.100000113.9A116 P117 D121 L122 T123A116-G119 PolarHBondContact O-N 3.11Å; A116-G119 VanDerWaalsContact O-N 3.17Å; P117-G119 VanDerWaalsContact C-N 3.33Å; G119-D121 VanDerWaalsContact C-N 3.32Å; G119-D121 VanDerWaalsContact C-OD1 3.32Å; G119-D121 WeakPolarHBondContact CA-OD1 3.24Å; G119-L122 PolarHBondContact O-N 2.86Å; G119-T123 PolarHBondContact O-N 3.22Å; G119-T123 PolarHBondContact O-OG1 3.03Å
120W93.7Very high96.3Very high172 Ų17232 Ų3265%0.65218%0.182SC*.Hα-helixtrans-69.2-30.8176.5-68.1114.3000113M67 W71 T123 G124M67-W120 HydrophobicContact CE-CH2 4.36Å; M67-W120 HydrophobicContact CE-CZ3 4.48Å; W71-W120 AromaticContact CH2-CE2 3.83Å; W71-W120 HydrophobicContact CH2-CH2 4.2Å; W71-W120 AromaticContact CH2-CZ2 3.46Å; W71-W120 HydrophobicContact CH2-CZ2 3.46Å; W71-W120 VanDerWaalsContact CH2-CZ2 3.46Å; W71-W120 HydrophobicContact CZ3-CH2 4.07Å; W71-W120 AromaticContact CZ3-CZ2 3.81Å; W71-W120 HydrophobicContact CZ3-CZ2 3.81Å; W120-T123 PolarHBondContact O-N 3.29Å; W120-G124 PolarHBondContact O-N 3.46Å
121D93.7Very high96.2Very high78 Ų7836.2 Ų36.242%0.41721%0.205SC..Hα-helixtrans-58.5-53.7171.256-22.8000111.1G119 T123 G124 V125G119-D121 VanDerWaalsContact C-N 3.32Å; G119-D121 VanDerWaalsContact C-OD1 3.32Å; G119-D121 WeakPolarHBondContact CA-OD1 3.24Å; D121-T123 VanDerWaalsContact C-N 3.32Å; D121-T123 PolarHBondContact O-N 3.24Å; D121-G124 PolarHBondContact O-N 3.19Å; D121-V125 PolarHBondContact O-N 3.37Å
122L94.4Very high96.2Very high1 Ų140.7 Ų40.71%0.00523%0.227CC..Hα-helixtrans-60.3-43.1177.3-179.966.1000111.5I115 I118 G119 G124 V125 M126 V155 F158I115-L122 HydrophobicContact CG2-CD2 3.53Å; I115-L122 HydrophobicContact CG2-CG 3.94Å; I118-L122 HydrophobicContact CB-CD2 4.01Å; I118-L122 HydrophobicContact CD1-CD2 4.28Å; I118-L122 HydrophobicContact CG2-CD2 3.73Å; G119-L122 PolarHBondContact O-N 2.86Å; L122-G124 VanDerWaalsContact C-N 3.34Å; L122-G124 PolarHBondContact O-N 2.92Å; L122-V125 HydrophobicContact CD1-CG2 4.3Å; L122-V125 WeakPolarHBondContact O-CG2 3.37Å; L122-V125 PolarHBondContact O-N 3.25Å; L122-M126 HydrophobicContact CD1-CG 4.41Å; L122-M126 WeakPolarHBondContact O-CB 3.36Å; L122-M126 VanDerWaalsContact O-CG 3.23Å; L122-M126 WeakPolarHBondContact O-CG 3.42Å; L122-M126 PolarHBondContact O-N 2.89Å; L122-V155 HydrophobicContact CD1-CG2 3.99Å; L122-V155 HydrophobicContact CD2-CG2 3.52Å; L122-V155 HydrophobicContact CG-CG2 4.39Å; L122-F158 HydrophobicContact CD1-CD2 4.47Å
123T95Very high96.2Very high11 Ų1138.7 Ų38.77%0.06722%0.22CC..Hα-helixtrans-62.4-43.5178.3-54.80000111.4F112 A116 G119 W120 D121 M126 A127F112-T123 HydrophobicContact CE1-CG2 4.11Å; F112-T123 HydrophobicContact CE2-CG2 3.76Å; F112-T123 WeakPolarHBondContact CE2-O 3.48Å; F112-T123 HydrophobicContact CZ-CG2 3.4Å; A116-T123 VanDerWaalsContact CA-OG1 3.28Å; A116-T123 WeakPolarHBondContact CA-OG1 3.13Å; A116-T123 HydrophobicContact CB-CG2 4.3Å; G119-T123 PolarHBondContact O-N 3.22Å; G119-T123 PolarHBondContact O-OG1 3.03Å; W120-T123 PolarHBondContact O-N 3.29Å; D121-T123 VanDerWaalsContact C-N 3.32Å; D121-T123 PolarHBondContact O-N 3.24Å; T123-M126 PolarHBondContact O-N 3.06Å; T123-A127 WeakPolarHBondContact O-CB 3.29Å; T123-A127 PolarHBondContact O-N 3.39Å
124G96.3Very high96.1Very high43 Ų4339.1 Ų39.144%0.44322%0.222SC..Hα-helixtrans-61.6-48.4177.200000112.2W120 D121 L122 M126 A127 G128W120-G124 PolarHBondContact O-N 3.46Å; D121-G124 PolarHBondContact O-N 3.19Å; L122-G124 VanDerWaalsContact C-N 3.34Å; L122-G124 PolarHBondContact O-N 2.92Å; G124-M126 VanDerWaalsContact C-N 3.34Å; G124-M126 PolarHBondContact O-N 2.96Å; G124-A127 PolarHBondContact O-N 2.87Å; G124-G128 PolarHBondContact O-N 3.41Å
125V96.5Very high96Very high54 Ų5443.5 Ų43.533%0.32724%0.244SC..Hα-helixtrans-65.4-37.3178.2-62.70000111.8D121 L122 G128 T129 Y154D121-V125 PolarHBondContact O-N 3.37Å; L122-V125 HydrophobicContact CD1-CG2 4.3Å; L122-V125 WeakPolarHBondContact O-CG2 3.37Å; L122-V125 PolarHBondContact O-N 3.25Å; V125-G128 PolarHBondContact O-N 2.72Å; V125-T129 PolarHBondContact O-N 3.43Å; V125-T129 PolarHBondContact O-OG1 3.06Å; V125-Y154 HydrophobicContact CB-CD2 4.13Å; V125-Y154 HydrophobicContact CB-CE2 3.92Å; V125-Y154 HydrophobicContact CG2-CD2 3.47Å; V125-Y154 VanDerWaalsContact CG2-CD2 3.47Å; V125-Y154 HydrophobicContact CG2-CE2 3.79Å; V125-Y154 HydrophobicContact CG2-CG 4.34Å
126M96.8Very high96Very high7 Ų749.4 Ų49.43%0.03428%0.276CS..Hα-helixtrans-63.9-43.7175.1-74.4-72.486.300113.1F112 L122 T123 G124 G128 T129 W130 I150 A151 Y154F112-M126 HydrophobicContact CD2-CB 4.33Å; F112-M126 HydrophobicContact CE2-CB 4.18Å; L122-M126 HydrophobicContact CD1-CG 4.41Å; L122-M126 WeakPolarHBondContact O-CB 3.36Å; L122-M126 VanDerWaalsContact O-CG 3.23Å; L122-M126 WeakPolarHBondContact O-CG 3.42Å; L122-M126 PolarHBondContact O-N 2.89Å; T123-M126 PolarHBondContact O-N 3.06Å; G124-M126 VanDerWaalsContact C-N 3.34Å; G124-M126 PolarHBondContact O-N 2.96Å; M126-G128 VanDerWaalsContact C-N 3.32Å; M126-T129 PolarHBondContact O-N 3.32Å; M126-W130 PolarHBondContact O-N 3.14Å; M126-W130 VanDerWaalsContact O-N 3.07Å; M126-I150 HydrophobicContact CE-CG2 3.46Å; M126-I150 VanDerWaalsContact CE-CG2 3.46Å; M126-A151 HydrophobicContact CE-CB 4.48Å; M126-A151 HydrophobicContact SD-CB 3.59Å; M126-A151 VanDerWaalsContact SD-CB 3.59Å; M126-Y154 HydrophobicContact CE-CD2 3.05Å; M126-Y154 HydrophobicContact CE-CE2 3.2Å; M126-Y154 HydrophobicContact CE-CG 4.11Å; M126-Y154 HydrophobicContact SD-CD2 4.44Å
127A96.9Very high96Very high40 Ų4050.6 Ų50.633%0.33128%0.283SS..Hα-helixtrans-62.4-43.2174.100000110.9F112 T123 G124 W130 L131F112-A127 HydrophobicContact CE2-CB 3.86Å; F112-A127 HydrophobicContact CZ-CB 3.86Å; T123-A127 WeakPolarHBondContact O-CB 3.29Å; T123-A127 PolarHBondContact O-N 3.39Å; G124-A127 PolarHBondContact O-N 2.87Å; A127-W130 PolarHBondContact O-N 3.17Å; A127-L131 VanDerWaalsContact O-CB 3.28Å; A127-L131 WeakPolarHBondContact O-CB 3.49Å; A127-L131 PolarHBondContact O-N 3.3Å
128G97.7Very high96Very high37 Ų3750.3 Ų50.338%0.38128%0.282SS..Hα-helixtrans-59.8-48.4176.300000112.7G124 V125 M126 W130 L131 L132G124-G128 PolarHBondContact O-N 3.41Å; V125-G128 PolarHBondContact O-N 2.72Å; M126-G128 VanDerWaalsContact C-N 3.32Å; G128-W130 PolarHBondContact O-N 3.45Å; G128-L131 PolarHBondContact O-N 3.29Å; G128-L132 VanDerWaalsContact O-CB 3.25Å; G128-L132 WeakPolarHBondContact O-CB 3.43Å; G128-L132 PolarHBondContact O-N 3.15Å
129T97.9Very high96Very high17 Ų1751.8 Ų51.810%0.10429%0.287CS..Hα-helixtrans-58.2-48.4176.2-560000111.5V125 M126 T133 V146 I150 Y154V125-T129 PolarHBondContact O-N 3.43Å; V125-T129 PolarHBondContact O-OG1 3.06Å; M126-T129 PolarHBondContact O-N 3.32Å; T129-T133 WeakPolarHBondContact O-CB 3.5Å; T129-T133 PolarHBondContact O-N 3.33Å; T129-T133 PolarHBondContact O-OG1 3.32Å; T129-V146 HydrophobicContact CG2-CG1 3.9Å; T129-I150 HydrophobicContact CG2-CG2 3.98Å; T129-Y154 PolarHBondContact OG1-OH 2.94Å
130W97.9Very high96.1Very high77 Ų7752.1 Ų52.129%0.29229%0.287SS..Hα-helixtrans-61.1-49.5179.9-17788.9000110.6M126 A127 G128 T133 V134 S147M126-W130 PolarHBondContact O-N 3.14Å; M126-W130 VanDerWaalsContact O-N 3.07Å; A127-W130 PolarHBondContact O-N 3.17Å; G128-W130 PolarHBondContact O-N 3.45Å; W130-T133 PolarHBondContact O-N 2.94Å; W130-V134 HydrophobicContact CD2-CG2 3.97Å; W130-V134 HydrophobicContact CE3-CG2 4.23Å; W130-V134 HydrophobicContact CH2-CG2 4.01Å; W130-V134 HydrophobicContact CZ2-CG2 3.73Å; W130-V134 HydrophobicContact CZ3-CG2 4.25Å; W130-V134 WeakPolarHBondContact O-CG2 3.35Å; W130-V134 PolarHBondContact O-N 2.96Å; W130-S147 WeakPolarHBondContact CA-OG 3.46Å; W130-S147 WeakPolarHBondContact CB-OG 3.34Å; W130-S147 PolarHBondContact N-OG 3.39Å
131L96.8Very high96.1Very high89 Ų8944.2 Ų44.247%0.46626%0.258SS..Hα-helixtrans-61-49.9-178.3-179.961.1000110.9A127 G128 T133 V134 L135A127-L131 VanDerWaalsContact O-CB 3.28Å; A127-L131 WeakPolarHBondContact O-CB 3.49Å; A127-L131 PolarHBondContact O-N 3.3Å; G128-L131 PolarHBondContact O-N 3.29Å; L131-T133 VanDerWaalsContact C-N 3.32Å; L131-T133 PolarHBondContact O-N 3.28Å; L131-V134 PolarHBondContact O-N 3.37Å; L131-L135 HydrophobicContact CD1-CD1 4.11Å; L131-L135 HydrophobicContact CD1-CD2 4.39Å; L131-L135 HydrophobicContact CD1-CG 4.02Å; L131-L135 HydrophobicContact CG-CD1 3.91Å; L131-L135 HydrophobicContact CG-CG 4.24Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.27Å; L131-L135 PolarHBondContact O-N 3.07Å
132L98.1Very high96.3Very high102 Ų10243 Ų4353%0.53425%0.251SS..Hα-helixtrans-57.5-46.2178.8-179.862.2000111.2G128 V134 L135 L136G128-L132 VanDerWaalsContact O-CB 3.25Å; G128-L132 WeakPolarHBondContact O-CB 3.43Å; G128-L132 PolarHBondContact O-N 3.15Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.24Å; L132-L135 PolarHBondContact O-N 3.35Å; L132-L136 HydrophobicContact CD1-CD1 3.83Å; L132-L136 HydrophobicContact CD1-CG 4.06Å; L132-L136 HydrophobicContact CG-CD1 3.94Å; L132-L136 HydrophobicContact CG-CG 4.49Å; L132-L136 WeakPolarHBondContact O-CB 3.3Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.2Å; L132-L136 PolarHBondContact O-N 3Å
133T98Very high96.5Very high21 Ų2143 Ų4313%0.12925%0.251CS..Hα-helixtrans-61.6-42.2179-55.10000111.4T129 W130 L131 S137 L142 V146T129-T133 WeakPolarHBondContact O-CB 3.5Å; T129-T133 PolarHBondContact O-N 3.33Å; T129-T133 PolarHBondContact O-OG1 3.32Å; W130-T133 PolarHBondContact O-N 2.94Å; L131-T133 VanDerWaalsContact C-N 3.32Å; L131-T133 PolarHBondContact O-N 3.28Å; T133-S137 VanDerWaalsContact O-CB 3.27Å; T133-S137 WeakPolarHBondContact O-CB 3.4Å; T133-S137 PolarHBondContact O-N 2.91Å; T133-S137 PolarHBondContact O-OG 3.1Å; T133-L142 HydrophobicContact CG2-CB 4.33Å; T133-L142 HydrophobicContact CG2-CD2 4.25Å; T133-L142 HydrophobicContact CG2-CG 3.79Å; T133-V146 HydrophobicContact CG2-CB 4.18Å; T133-V146 HydrophobicContact CG2-CG2 3.94Å
134V96.1Very high96.6Very high8 Ų842.6 Ų42.65%0.04825%0.249CC..Hα-helixtrans-69.2-39.4178.5171.60000112W130 L131 L132 G138 I192W130-V134 HydrophobicContact CD2-CG2 3.97Å; W130-V134 HydrophobicContact CE3-CG2 4.23Å; W130-V134 HydrophobicContact CH2-CG2 4.01Å; W130-V134 HydrophobicContact CZ2-CG2 3.73Å; W130-V134 HydrophobicContact CZ3-CG2 4.25Å; W130-V134 WeakPolarHBondContact O-CG2 3.35Å; W130-V134 PolarHBondContact O-N 2.96Å; L131-V134 PolarHBondContact O-N 3.37Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.24Å; V134-G138 WeakPolarHBondContact O-CA 3.3Å; V134-G138 PolarHBondContact O-N 3.48Å; V134-I192 HydrophobicContact CG1-CD1 3.52Å
135L95.8Very high96.7Very high97 Ų9741.4 Ų41.451%0.50823%0.233SC..Hα-helixtrans-63.9-44.4177.2-70.7177.2000111.3L131 L132 W193L131-L135 HydrophobicContact CD1-CD1 4.11Å; L131-L135 HydrophobicContact CD1-CD2 4.39Å; L131-L135 HydrophobicContact CD1-CG 4.02Å; L131-L135 HydrophobicContact CG-CD1 3.91Å; L131-L135 HydrophobicContact CG-CG 4.24Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.27Å; L131-L135 PolarHBondContact O-N 3.07Å; L132-L135 PolarHBondContact O-N 3.35Å; L135-W193 HydrophobicContact CD2-CH2 4.29Å; L135-W193 HydrophobicContact CD2-CZ2 4Å
136L97Very high96.8Very high140 Ų14041.1 Ų41.173%0.73323%0.231SC*.Hα-helixtrans-73.1-40.8-178.7-66175.9000113L132L132-L136 HydrophobicContact CD1-CD1 3.83Å; L132-L136 HydrophobicContact CD1-CG 4.06Å; L132-L136 HydrophobicContact CG-CD1 3.94Å; L132-L136 HydrophobicContact CG-CG 4.49Å; L132-L136 WeakPolarHBondContact O-CB 3.3Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.2Å; L132-L136 PolarHBondContact O-N 3Å
137S95.7Very high96.8Very high25 Ų2541.5 Ų41.518%0.17523%0.234CC..Hα-helixtrans-98.3-28.3-172.171.30000114.4T133 Y139T133-S137 VanDerWaalsContact O-CB 3.27Å; T133-S137 WeakPolarHBondContact O-CB 3.4Å; T133-S137 PolarHBondContact O-N 2.91Å; T133-S137 PolarHBondContact O-OG 3.1Å; S137-Y139 VanDerWaalsContact C-N 3.28Å; S137-Y139 PolarHBondContact OG-N 3.28Å; S137-Y139 VanDerWaalsContact OG-N 3.11Å
138G94.1Very high96.9Very high3 Ų340 Ų403%0.03122%0.221CC..  trans77.22.5-16900000115.5V134 K191 I192V134-G138 WeakPolarHBondContact O-CA 3.3Å; V134-G138 PolarHBondContact O-N 3.48Å; G138-K191 CarbonylContact O-C 3.52Å; G138-K191 VanDerWaalsContact O-CA 3.26Å; G138-K191 WeakPolarHBondContact O-CA 3.3Å; G138-I192 PolarHBondContact O-N 3.24Å
139Y94.7Very high96.9Very high51 Ų5142.7 Ų42.720%0.223%0.227CC..  trans-106.3114.8-177.4-57.1-64.8000112.2S137 S141 L142 G143 L184 E189 K191S137-Y139 VanDerWaalsContact C-N 3.28Å; S137-Y139 PolarHBondContact OG-N 3.28Å; S137-Y139 VanDerWaalsContact OG-N 3.11Å; Y139-S141 PolarHBondContact O-N 3.28Å; Y139-L142 HydrophobicContact CD2-CD2 4.45Å; Y139-L142 PolarHBondContact O-N 2.9Å; Y139-G143 PolarHBondContact O-N 3.44Å; Y139-L184 HydrophobicContact CD1-CD2 4.27Å; Y139-L184 HydrophobicContact CD2-CD2 3.81Å; Y139-L184 HydrophobicContact CE2-CD2 4.22Å; Y139-L184 HydrophobicContact CG-CD2 3.85Å; Y139-E189 HydrophobicContact CD1-CB 4.06Å; Y139-E189 HydrophobicContact CD1-CG 3.76Å; Y139-E189 HydrophobicContact CE1-CB 4.12Å; Y139-E189 HydrophobicContact CE1-CG 4.32Å; Y139-E189 VanDerWaalsContact CE1-O 3.3Å; Y139-E189 WeakPolarHBondContact CE1-O 3.26Å; Y139-E189 HydrophobicContact CG-CG 4.42Å; Y139-K191 HydrophobicContact CD1-CG 3.84Å; Y139-K191 HydrophobicContact CE1-CB 4.4Å; Y139-K191 HydrophobicContact CE1-CD 4.35Å; Y139-K191 HydrophobicContact CE1-CG 3.33Å; Y139-K191 VanDerWaalsContact OH-CE 3.3Å; Y139-K191 WeakPolarHBondContact OH-CE 3.42Å
140S94.4Very high96.9Very high22 Ų2244.3 Ų44.315%0.15423%0.234CC..Hα-helixtrans-58.1-37.3173.9-169.90000112.8T44 A144T44-S140 PolarHBondContact OG1-OG 3.37Å; T44-S140 VanDerWaalsContact OG1-OG 3.07Å; S140-A144 PolarHBondContact O-N 2.84Å; S140-A144 VanDerWaalsContact O-N 3.15Å
141S95.4Very high96.9Very high5 Ų540.7 Ų40.74%0.03522%0.221CC..Hα-helixtrans-71.6-38.8-178.246.30000112Y139 G143 A144 I145 N180 E189Y139-S141 PolarHBondContact O-N 3.28Å; S141-G143 VanDerWaalsContact C-N 3.33Å; S141-A144 PolarHBondContact O-N 3.43Å; S141-I145 WeakPolarHBondContact O-CD1 3.46Å; S141-I145 VanDerWaalsContact O-CG1 3.25Å; S141-I145 WeakPolarHBondContact O-CG1 3.33Å; S141-I145 PolarHBondContact O-N 3.15Å; S141-N180 WeakPolarHBondContact CB-ND2 3.26Å; S141-E189 VanDerWaalsContact CB-OE1 3.23Å; S141-E189 WeakPolarHBondContact CB-OE1 3.3Å; S141-E189 WeakPolarHBondContact OG-CG 3.45Å; S141-E189 PolarHBondContact OG-OE1 3.04Å
142L97.3Very high97Very high53 Ų5337.5 Ų37.528%0.27721%0.205SC..Hα-helixtrans-62.9-42.6173.9-175.659.5000110.7T133 Y139 A144 I145 V146 L184T133-L142 HydrophobicContact CG2-CB 4.33Å; T133-L142 HydrophobicContact CG2-CD2 4.25Å; T133-L142 HydrophobicContact CG2-CG 3.79Å; Y139-L142 HydrophobicContact CD2-CD2 4.45Å; Y139-L142 PolarHBondContact O-N 2.9Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 3.2Å; L142-I145 PolarHBondContact O-N 3.03Å; L142-V146 HydrophobicContact CD1-CG2 3.98Å; L142-V146 HydrophobicContact CG-CG2 4.24Å; L142-V146 WeakPolarHBondContact O-CB 3.36Å; L142-V146 WeakPolarHBondContact O-CG2 3.23Å; L142-V146 PolarHBondContact O-N 3.31Å; L142-L184 HydrophobicContact CB-CD1 4.27Å; L142-L184 HydrophobicContact CB-CD2 4.49Å; L142-L184 HydrophobicContact CD1-CD1 4.43Å
143G97.4Very high96.9Very high0 Ų039.4 Ų39.40%021%0.21CC..Hα-helixtrans-54.8-46.4172.300000112.6Y139 S141 S147Y139-G143 PolarHBondContact O-N 3.44Å; S141-G143 VanDerWaalsContact C-N 3.33Å; G143-S147 WeakPolarHBondContact O-CB 3.39Å; G143-S147 PolarHBondContact O-N 3.16Å; G143-S147 PolarHBondContact O-OG 3.23Å; G143-S147 VanDerWaalsContact O-OG 3.06Å
144A97.4Very high96.9Very high4 Ų441.4 Ų41.43%0.03322%0.215CC..Hα-helixtrans-63.3-42.1177.400000113.1V108 S140 S141 L142 A148V108-A144 HydrophobicContact CB-CB 4.41Å; V108-A144 HydrophobicContact CG1-CB 3.89Å; V108-A144 HydrophobicContact CG2-CB 3.59Å; S140-A144 PolarHBondContact O-N 2.84Å; S140-A144 VanDerWaalsContact O-N 3.15Å; S141-A144 PolarHBondContact O-N 3.43Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 3.2Å; A144-A148 VanDerWaalsContact O-CB 3.3Å; A144-A148 WeakPolarHBondContact O-CB 3.42Å; A144-A148 PolarHBondContact O-N 3.02Å
145I98.3Very high96.9Very high18 Ų1841 Ų419%0.09221%0.213CC..Hα-helixtrans-65.9-48.3179.7-68.1158.4000110.5S141 L142 A148 L149 L174 H177 I181 L184S141-I145 WeakPolarHBondContact O-CD1 3.46Å; S141-I145 VanDerWaalsContact O-CG1 3.25Å; S141-I145 WeakPolarHBondContact O-CG1 3.33Å; S141-I145 PolarHBondContact O-N 3.15Å; L142-I145 PolarHBondContact O-N 3.03Å; I145-A148 PolarHBondContact O-N 2.78Å; I145-L149 HydrophobicContact CG2-CD1 3.89Å; I145-L149 WeakPolarHBondContact O-CG 3.38Å; I145-L149 PolarHBondContact O-N 3.24Å; I145-L174 HydrophobicContact CB-CD2 4.48Å; I145-L174 HydrophobicContact CG2-CD2 4Å; I145-H177 HydrophobicContact CD1-CB 4.43Å; I145-H177 HydrophobicContact CG1-CB 4.09Å; I145-I181 HydrophobicContact CD1-CD1 4.47Å; I145-I181 HydrophobicContact CD1-CG1 3.62Å; I145-I181 HydrophobicContact CG1-CG1 4.35Å; I145-L184 HydrophobicContact CD1-CD1 3.76Å
146V98.4Very high97Very high47 Ų4743.9 Ų43.929%0.28522%0.217SC..Hα-helixtrans-62.1-46.6178.9172.20000110.7T129 T133 L142 A148 L149 I150T129-V146 HydrophobicContact CG2-CG1 3.9Å; T133-V146 HydrophobicContact CG2-CB 4.18Å; T133-V146 HydrophobicContact CG2-CG2 3.94Å; L142-V146 HydrophobicContact CD1-CG2 3.98Å; L142-V146 HydrophobicContact CG-CG2 4.24Å; L142-V146 WeakPolarHBondContact O-CB 3.36Å; L142-V146 WeakPolarHBondContact O-CG2 3.23Å; L142-V146 PolarHBondContact O-N 3.31Å; V146-A148 VanDerWaalsContact C-N 3.35Å; V146-A148 PolarHBondContact O-N 3.42Å; V146-L149 PolarHBondContact O-N 2.89Å; V146-I150 PolarHBondContact O-N 2.86Å
147S98.1Very high96.9Very high15 Ų1546.3 Ų46.311%0.10522%0.217CC..Hα-helixtrans-59.3-44.3175.6-67.60000112.1W130 G143 L149 I150 A151W130-S147 WeakPolarHBondContact CA-OG 3.46Å; W130-S147 WeakPolarHBondContact CB-OG 3.34Å; W130-S147 PolarHBondContact N-OG 3.39Å; G143-S147 WeakPolarHBondContact O-CB 3.39Å; G143-S147 PolarHBondContact O-N 3.16Å; G143-S147 PolarHBondContact O-OG 3.23Å; G143-S147 VanDerWaalsContact O-OG 3.06Å; S147-L149 VanDerWaalsContact C-N 3.35Å; S147-L149 PolarHBondContact O-N 3.13Å; S147-I150 PolarHBondContact O-N 2.97Å; S147-A151 VanDerWaalsContact O-CB 3.27Å; S147-A151 WeakPolarHBondContact O-CB 3.29Å; S147-A151 PolarHBondContact O-N 3.29Å
148A98.2Very high96.8Very high8 Ų849.2 Ų49.27%0.06623%0.226CC..Hα-helixtrans-64.8-37.3178.900000112.7A144 I145 V146 P152 S170 I173 L174A144-A148 VanDerWaalsContact O-CB 3.3Å; A144-A148 WeakPolarHBondContact O-CB 3.42Å; A144-A148 PolarHBondContact O-N 3.02Å; I145-A148 PolarHBondContact O-N 2.78Å; V146-A148 VanDerWaalsContact C-N 3.35Å; V146-A148 PolarHBondContact O-N 3.42Å; A148-P152 WeakPolarHBondContact O-CD 3.49Å; A148-S170 WeakPolarHBondContact O-CB 3.45Å; A148-S170 PolarHBondContact O-OG 3.44Å; A148-I173 HydrophobicContact CB-CB 4.32Å; A148-I173 HydrophobicContact CB-CG2 4Å; A148-L174 HydrophobicContact CB-CD2 4.03Å; A148-L174 HydrophobicContact CB-CG 4.03Å
149L98.3Very high96.8Very high95 Ų9553 Ų5350%0.49724%0.242SC..Hα-helixtrans-69.7-39.1177.2-72.3168.5000112.4I145 V146 S147 F153 L174I145-L149 HydrophobicContact CG2-CD1 3.89Å; I145-L149 WeakPolarHBondContact O-CG 3.38Å; I145-L149 PolarHBondContact O-N 3.24Å; V146-L149 PolarHBondContact O-N 2.89Å; S147-L149 VanDerWaalsContact C-N 3.35Å; S147-L149 PolarHBondContact O-N 3.13Å; L149-F153 WeakPolarHBondContact O-CD2 3.14Å; L149-F153 WeakPolarHBondContact O-CE2 3.24Å; L149-L174 HydrophobicContact CD2-CD1 3.75Å; L149-L174 HydrophobicContact CD2-CD2 4.29Å; L149-L174 HydrophobicContact CG-CD1 4.34Å; L149-L174 HydrophobicContact CG-CD2 4.12Å
150I97.9Very high96.8Very high50 Ų5054.1 Ų54.126%0.25626%0.255SS..Hα-helixtrans-85.7-22.5-176-152.3165.5000113.3M126 T129 V146 S147 F153 Y154M126-I150 HydrophobicContact CE-CG2 3.46Å; M126-I150 VanDerWaalsContact CE-CG2 3.46Å; T129-I150 HydrophobicContact CG2-CG2 3.98Å; V146-I150 PolarHBondContact O-N 2.86Å; S147-I150 PolarHBondContact O-N 2.97Å; I150-F153 WeakPolarHBondContact O-CB 2.98Å; I150-F153 PolarHBondContact O-N 3.38Å; I150-Y154 HydrophobicContact CD1-CE1 3.78Å; I150-Y154 HydrophobicContact CG1-CD1 4.23Å; I150-Y154 HydrophobicContact CG1-CE1 3.83Å; I150-Y154 HydrophobicContact CG2-CD2 4.49Å; I150-Y154 HydrophobicContact CG2-CE2 4.13Å; I150-Y154 PolarHBondContact O-N 2.65Å; I150-Y154 VanDerWaalsContact O-N 3.15Å
151A97.8Very high96.9Very high2 Ų258.1 Ų58.12%0.01727%0.272CS..Hα-helixtrans-53.2-45.8-176.300000113.9M126 S147 F153 Y154 V155 V166M126-A151 HydrophobicContact CE-CB 4.48Å; M126-A151 HydrophobicContact SD-CB 3.59Å; M126-A151 VanDerWaalsContact SD-CB 3.59Å; S147-A151 VanDerWaalsContact O-CB 3.27Å; S147-A151 WeakPolarHBondContact O-CB 3.29Å; S147-A151 PolarHBondContact O-N 3.29Å; A151-F153 VanDerWaalsContact C-N 3.26Å; A151-F153 PolarHBondContact O-N 3.41Å; A151-Y154 PolarHBondContact O-N 3.33Å; A151-V155 WeakPolarHBondContact O-CG2 3.35Å; A151-V155 PolarHBondContact O-N 2.73Å; A151-V166 HydrophobicContact CB-CG1 3.81Å
152P97.7Very high97Very high21 Ų2158.4 Ų58.414%0.13627%0.272CS..Hα-helixtrans-59.7-34.9176.6-26.437.3000113.4A148 W156A148-P152 WeakPolarHBondContact O-CD 3.49Å; P152-W156 WeakPolarHBondContact O-CB 3.32Å; P152-W156 PolarHBondContact O-N 3.37Å
153F97.6Very high97Very high142 Ų14257.2 Ų57.262%0.62327%0.267SS*.Hα-helixtrans-70.3-42.6179.2-64.1-86000111.9L149 I150 A151 W156 W157L149-F153 WeakPolarHBondContact O-CD2 3.14Å; L149-F153 WeakPolarHBondContact O-CE2 3.24Å; I150-F153 WeakPolarHBondContact O-CB 2.98Å; I150-F153 PolarHBondContact O-N 3.38Å; A151-F153 VanDerWaalsContact C-N 3.26Å; A151-F153 PolarHBondContact O-N 3.41Å; F153-W156 PolarHBondContact O-N 3.01Å; F153-W157 PolarHBondContact O-N 2.9Å; F153-W157 VanDerWaalsContact O-N 3.11Å
154Y97Very high97.1Very high64 Ų6463.2 Ų63.225%0.25129%0.293SS..Hα-helixtrans-63.6-45.4174-71.1-4.9000111.1V125 M126 T129 I150 A151 W156 W157 F158V125-Y154 HydrophobicContact CB-CD2 4.13Å; V125-Y154 HydrophobicContact CB-CE2 3.92Å; V125-Y154 HydrophobicContact CG2-CD2 3.47Å; V125-Y154 VanDerWaalsContact CG2-CD2 3.47Å; V125-Y154 HydrophobicContact CG2-CE2 3.79Å; V125-Y154 HydrophobicContact CG2-CG 4.34Å; M126-Y154 HydrophobicContact CE-CD2 3.05Å; M126-Y154 HydrophobicContact CE-CE2 3.2Å; M126-Y154 HydrophobicContact CE-CG 4.11Å; M126-Y154 HydrophobicContact SD-CD2 4.44Å; T129-Y154 PolarHBondContact OG1-OH 2.94Å; I150-Y154 HydrophobicContact CD1-CE1 3.78Å; I150-Y154 HydrophobicContact CG1-CD1 4.23Å; I150-Y154 HydrophobicContact CG1-CE1 3.83Å; I150-Y154 HydrophobicContact CG2-CD2 4.49Å; I150-Y154 HydrophobicContact CG2-CE2 4.13Å; I150-Y154 PolarHBondContact O-N 2.65Å; I150-Y154 VanDerWaalsContact O-N 3.15Å; A151-Y154 PolarHBondContact O-N 3.33Å; Y154-W156 VanDerWaalsContact C-N 3.32Å; Y154-W156 PolarHBondContact O-N 3.2Å; Y154-W157 WeakPolarHBondContact O-CB 3.49Å; Y154-W157 PolarHBondContact O-N 3.35Å; Y154-W157 VanDerWaalsContact O-N 3.11Å; Y154-F158 WeakPolarHBondContact O-CD2 3.47Å; Y154-F158 PolarHBondContact O-N 3.41Å
155V97.2Very high97Very high0 Ų063.4 Ų63.40%030%0.295CS..Hα-helixtrans-62.7-41.6178.5174.50000111.7L122 A151 W157 F158 K159 F162 V166L122-V155 HydrophobicContact CD1-CG2 3.99Å; L122-V155 HydrophobicContact CD2-CG2 3.52Å; L122-V155 HydrophobicContact CG-CG2 4.39Å; A151-V155 WeakPolarHBondContact O-CG2 3.35Å; A151-V155 PolarHBondContact O-N 2.73Å; V155-W157 PolarHBondContact O-N 3.32Å; V155-F158 PolarHBondContact O-N 3.07Å; V155-K159 WeakPolarHBondContact CG1-O 3.35Å; V155-K159 CarbonylContact O-C 3.59Å; V155-K159 WeakPolarHBondContact O-CA 3.22Å; V155-K159 PolarHBondContact O-N 3.15Å; V155-F162 HydrophobicContact CG1-CB 3.67Å; V155-V166 HydrophobicContact CB-CG2 4.47Å; V155-V166 HydrophobicContact CG1-CG2 4.27Å; V155-V166 HydrophobicContact CG2-CB 4.06Å; V155-V166 HydrophobicContact CG2-CG1 3.97Å; V155-V166 HydrophobicContact CG2-CG2 3.73Å
156W97.2Very high97Very high157 Ų15762.8 Ų62.860%0.59529%0.292SS*.Hα-helixtrans-57-38.9174.8174.672.2000112.1P152 F153 Y154 T163P152-W156 WeakPolarHBondContact O-CB 3.32Å; P152-W156 PolarHBondContact O-N 3.37Å; F153-W156 PolarHBondContact O-N 3.01Å; Y154-W156 VanDerWaalsContact C-N 3.32Å; Y154-W156 PolarHBondContact O-N 3.2Å; W156-T163 WeakPolarHBondContact CA-OG1 3.33Å; W156-T163 HydrophobicContact CB-CG2 4.04Å
157W95.6Very high97Very high191 Ų19162.5 Ų62.572%0.72329%0.291SS*.Hα-helixtrans-72.8-45.2178.6-168.7-91.7000113.7F153 Y154 V155F153-W157 PolarHBondContact O-N 2.9Å; F153-W157 VanDerWaalsContact O-N 3.11Å; Y154-W157 WeakPolarHBondContact O-CB 3.49Å; Y154-W157 PolarHBondContact O-N 3.35Å; Y154-W157 VanDerWaalsContact O-N 3.11Å; V155-W157 PolarHBondContact O-N 3.32Å
158F91.7Very high97Very high85 Ų8564 Ų6437%0.37330%0.297SS..Hα-helixtrans-89.9-41.4-173.6-68.6-74.8000113.9L122 Y154 V155L122-F158 HydrophobicContact CD1-CD2 4.47Å; Y154-F158 WeakPolarHBondContact O-CD2 3.47Å; Y154-F158 PolarHBondContact O-N 3.41Å; V155-F158 PolarHBondContact O-N 3.07Å
159K94.7Very high97Very high84 Ų8464 Ų6437%0.36530%0.296SS..  trans-14970.6-170-59.8-68.3178.2-1790111I118 V155 Q161 F162I118-K159 HydrophobicContact CG2-CB 3.98Å; I118-K159 HydrophobicContact CG2-CG 3.88Å; V155-K159 WeakPolarHBondContact CG1-O 3.35Å; V155-K159 CarbonylContact O-C 3.59Å; V155-K159 WeakPolarHBondContact O-CA 3.22Å; V155-K159 PolarHBondContact O-N 3.15Å; K159-Q161 VanDerWaalsContact C-OE1 3.23Å; K159-Q161 PolarHBondContact O-N 2.94Å; K159-F162 HydrophobicContact CB-CD2 3.83Å; K159-F162 HydrophobicContact CB-CE2 4.43Å; K159-F162 PolarHBondContact O-N 2.94Å
160P95.9Very high97Very high74 Ų7459.9 Ų59.948%0.48128%0.275SS..G310 helixtrans-57-26.2-167.519.9-32.8000114.6F162 T163P160-F162 PolarHBondContact O-N 3.39Å; P160-F162 VanDerWaalsContact O-N 3.16Å; P160-T163 WeakPolarHBondContact CA-OG1 3.32Å; P160-T163 VanDerWaalsContact O-CB 3.29Å; P160-T163 WeakPolarHBondContact O-CB 3.42Å; P160-T163 PolarHBondContact O-N 3.22Å; P160-T163 PolarHBondContact O-OG1 3.21Å
161Q96.1Very high97Very high105 Ų10561 Ų6149%0.49129%0.287SS..G310 helixtrans-60.9-20.7176.469.2-84.317.800114.4P80 K159P80-Q161 VanDerWaalsContact CB-O 3.31Å; P80-Q161 WeakPolarHBondContact CB-O 3.37Å; P80-Q161 HydrophobicContact CG-CB 4.38Å; P80-Q161 HydrophobicContact CG-CG 4.3Å; K159-Q161 VanDerWaalsContact C-OE1 3.23Å; K159-Q161 PolarHBondContact O-N 2.94Å
162F97.2Very high97Very high12 Ų1262.2 Ų62.25%0.05329%0.293CS..G310 helixtrans-97.90.8176.8-59.9-73.3000113.6Y74 P80 L83 I118 V155 K159 P160 F164 P165 V166Y74-F162 HydrophobicContact CD2-CZ 4.38Å; Y74-F162 HydrophobicContact CE2-CE1 4.41Å; Y74-F162 HydrophobicContact CE2-CE2 4.47Å; Y74-F162 AromaticContact CE2-CZ 3.74Å; Y74-F162 HydrophobicContact CE2-CZ 3.74Å; P80-F162 HydrophobicContact CB-CD1 3.73Å; P80-F162 HydrophobicContact CB-CE1 3.78Å; P80-F162 HydrophobicContact CG-CD1 4.19Å; P80-F162 HydrophobicContact CG-CE1 3.79Å; P80-F162 HydrophobicContact CG-CZ 4.33Å; L83-F162 HydrophobicContact CD1-CE1 3.8Å; I118-F162 HydrophobicContact CB-CD2 4.48Å; I118-F162 HydrophobicContact CD1-CB 3.87Å; I118-F162 HydrophobicContact CD1-CD1 4.44Å; I118-F162 HydrophobicContact CD1-CD2 4.5Å; I118-F162 HydrophobicContact CD1-CG 4.03Å; I118-F162 HydrophobicContact CG1-CB 4.42Å; I118-F162 HydrophobicContact CG1-CD1 4.32Å; I118-F162 HydrophobicContact CG1-CD2 4.17Å; I118-F162 HydrophobicContact CG1-CG 4.05Å; I118-F162 HydrophobicContact CG2-CD2 3.69Å; I118-F162 HydrophobicContact CG2-CE2 4.21Å; I118-F162 HydrophobicContact CG2-CG 4.27Å; V155-F162 HydrophobicContact CG1-CB 3.67Å; K159-F162 HydrophobicContact CB-CD2 3.83Å; K159-F162 HydrophobicContact CB-CE2 4.43Å; K159-F162 PolarHBondContact O-N 2.94Å; P160-F162 PolarHBondContact O-N 3.39Å; P160-F162 VanDerWaalsContact O-N 3.16Å; F162-F164 VanDerWaalsContact C-N 3.33Å; F162-F164 PolarHBondContact O-N 3.06Å; F162-P165 VanDerWaalsContact O-CD 3.28Å; F162-P165 WeakPolarHBondContact O-CD 3.43Å; F162-V166 HydrophobicContact CB-CG2 4.48Å; F162-V166 WeakPolarHBondContact O-CG2 3.35Å; F162-V166 PolarHBondContact O-N 2.97Å
163T97.9Very high97Very high28 Ų2861.5 Ų61.517%0.17229%0.288CS..Hα-helixtrans-59.3-44-175.2-53.10000112W156 P160 S167W156-T163 WeakPolarHBondContact CA-OG1 3.33Å; W156-T163 HydrophobicContact CB-CG2 4.04Å; P160-T163 WeakPolarHBondContact CA-OG1 3.32Å; P160-T163 VanDerWaalsContact O-CB 3.29Å; P160-T163 WeakPolarHBondContact O-CB 3.42Å; P160-T163 PolarHBondContact O-N 3.22Å; P160-T163 PolarHBondContact O-OG1 3.21Å; T163-S167 VanDerWaalsContact O-CB 3.28Å; T163-S167 WeakPolarHBondContact O-CB 3.37Å; T163-S167 PolarHBondContact O-N 3.28Å; T163-S167 PolarHBondContact O-OG 2.87Å
164F97.7Very high97.1Very high125 Ų12556.8 Ų56.855%0.54827%0.269SS..Hα-helixtrans-67.1-51.8178.9-178.8-96.4000112F81 F162 V166 S167 M168F81-F164 HydrophobicContact CD2-CD1 4.18Å; F81-F164 AromaticContact CD2-CE1 3.8Å; F81-F164 HydrophobicContact CD2-CE1 3.8Å; F81-F164 AromaticContact CE2-CE1 3.88Å; F81-F164 HydrophobicContact CE2-CE1 3.88Å; F162-F164 VanDerWaalsContact C-N 3.33Å; F162-F164 PolarHBondContact O-N 3.06Å; F164-V166 VanDerWaalsContact C-N 3.34Å; F164-V166 PolarHBondContact O-N 3.28Å; F164-S167 WeakPolarHBondContact O-CB 3.28Å; F164-S167 PolarHBondContact O-N 2.99Å; F164-M168 HydrophobicContact CD1-CG 4.4Å; F164-M168 HydrophobicContact CD1-SD 3.71Å; F164-M168 HydrophobicContact CE1-CG 4.07Å; F164-M168 HydrophobicContact CE1-SD 3.28Å; F164-M168 WeakPolarHBondContact CE1-SD 3.42Å; F164-M168 HydrophobicContact CZ-CG 4.21Å; F164-M168 HydrophobicContact CZ-SD 3.91Å; F164-M168 WeakPolarHBondContact O-CG 3.43Å; F164-M168 PolarHBondContact O-N 3.34Å
165P97.2Very high97.1Very high9 Ų960.1 Ų60.16%0.05829%0.29CS..Hα-helixtrans-49.4-48171.3-3235.6000114.7P80 F162 M168 L169P80-P165 VanDerWaalsContact C-CG 3.44Å; P80-P165 HydrophobicContact CB-CG 4.04Å; P80-P165 WeakPolarHBondContact O-CG 3.39Å; F162-P165 VanDerWaalsContact O-CD 3.28Å; F162-P165 WeakPolarHBondContact O-CD 3.43Å; P165-M168 PolarHBondContact O-N 2.86Å; P165-L169 PolarHBondContact O-N 2.98Å; P165-L169 VanDerWaalsContact O-N 3.15Å
166V97.8Very high97Very high5 Ų563.5 Ų63.53%0.0330%0.303CS..Hα-helixtrans-69.6-38.1-179.4173.30000111.2I118 A151 V155 F162 F164 M168 L169 S170I118-V166 HydrophobicContact CD1-CG2 3.8Å; A151-V166 HydrophobicContact CB-CG1 3.81Å; V155-V166 HydrophobicContact CB-CG2 4.47Å; V155-V166 HydrophobicContact CG1-CG2 4.27Å; V155-V166 HydrophobicContact CG2-CB 4.06Å; V155-V166 HydrophobicContact CG2-CG1 3.97Å; V155-V166 HydrophobicContact CG2-CG2 3.73Å; F162-V166 HydrophobicContact CB-CG2 4.48Å; F162-V166 WeakPolarHBondContact O-CG2 3.35Å; F162-V166 PolarHBondContact O-N 2.97Å; F164-V166 VanDerWaalsContact C-N 3.34Å; F164-V166 PolarHBondContact O-N 3.28Å; V166-M168 VanDerWaalsContact C-N 3.32Å; V166-M168 PolarHBondContact O-N 3.37Å; V166-L169 PolarHBondContact O-N 3.33Å; V166-S170 WeakPolarHBondContact O-CB 3.48Å; V166-S170 PolarHBondContact O-N 2.96Å; V166-S170 PolarHBondContact O-OG 3.44Å
167S98.3Very high97Very high40 Ų4056.3 Ų56.328%0.2828%0.276SS..Hα-helixtrans-57.4-44.3172.7-63.20000112.1T163 F164 L169 S170 C171T163-S167 VanDerWaalsContact O-CB 3.28Å; T163-S167 WeakPolarHBondContact O-CB 3.37Å; T163-S167 PolarHBondContact O-N 3.28Å; T163-S167 PolarHBondContact O-OG 2.87Å; F164-S167 WeakPolarHBondContact O-CB 3.28Å; F164-S167 PolarHBondContact O-N 2.99Å; S167-L169 VanDerWaalsContact C-N 3.35Å; S167-L169 PolarHBondContact O-N 3.4Å; S167-S170 PolarHBondContact O-N 3.47Å; S167-C171 PolarHBondContact O-N 2.97Å; S167-C171 PolarHBondContact O-SG 3.02Å
168M97.9Very high97Very high47 Ų4752 Ų5223%0.23226%0.264CS..Hα-helixtrans-61.7-43.8177.5-61.416666.400111.6L85 I88 F164 P165 V166 C171 L172L85-M168 HydrophobicContact CD2-CE 3.71Å; I88-M168 HydrophobicContact CD1-CB 3.73Å; I88-M168 HydrophobicContact CD1-CE 3.83Å; F164-M168 HydrophobicContact CD1-CG 4.4Å; F164-M168 HydrophobicContact CD1-SD 3.71Å; F164-M168 HydrophobicContact CE1-CG 4.07Å; F164-M168 HydrophobicContact CE1-SD 3.28Å; F164-M168 WeakPolarHBondContact CE1-SD 3.42Å; F164-M168 HydrophobicContact CZ-CG 4.21Å; F164-M168 HydrophobicContact CZ-SD 3.91Å; F164-M168 WeakPolarHBondContact O-CG 3.43Å; F164-M168 PolarHBondContact O-N 3.34Å; P165-M168 PolarHBondContact O-N 2.86Å; V166-M168 VanDerWaalsContact C-N 3.32Å; V166-M168 PolarHBondContact O-N 3.37Å; M168-C171 WeakPolarHBondContact O-CB 3.25Å; M168-C171 PolarHBondContact O-N 2.98Å; M168-L172 PolarHBondContact O-N 2.86Å
169L98Very high97.2Very high7 Ų751.3 Ų51.34%0.03726%0.264CS..Hα-helixtrans-65.3-42.5177.3-176.561.2000111.9A87 I88 C91 A111 A114 I115 P165 V166 S167 C171 L172 I173A87-L169 HydrophobicContact CB-CD2 4.15Å; I88-L169 HydrophobicContact CG1-CD1 4.24Å; C91-L169 HydrophobicContact CB-CD1 4.23Å; A111-L169 HydrophobicContact CB-CD1 4.16Å; A111-L169 HydrophobicContact CB-CD2 3.87Å; A111-L169 HydrophobicContact CB-CG 4.06Å; A114-L169 HydrophobicContact CB-CD2 4.45Å; I115-L169 HydrophobicContact CG1-CD2 4.44Å; P165-L169 PolarHBondContact O-N 2.98Å; P165-L169 VanDerWaalsContact O-N 3.15Å; V166-L169 PolarHBondContact O-N 3.33Å; S167-L169 VanDerWaalsContact C-N 3.35Å; S167-L169 PolarHBondContact O-N 3.4Å; L169-C171 VanDerWaalsContact C-N 3.32Å; L169-C171 PolarHBondContact O-N 3.38Å; L169-L172 WeakPolarHBondContact O-CB 3.23Å; L169-L172 PolarHBondContact O-N 2.85Å; L169-I173 WeakPolarHBondContact O-CG1 3.47Å; L169-I173 PolarHBondContact O-N 3.36Å
170S98.2Very high97.2Very high9 Ų947.6 Ų47.66%0.06325%0.248CC..Hα-helixtrans-58.4-42.8174.5-76.30000111.8A148 V166 S167 L172 I173 L174A148-S170 WeakPolarHBondContact O-CB 3.45Å; A148-S170 PolarHBondContact O-OG 3.44Å; V166-S170 WeakPolarHBondContact O-CB 3.48Å; V166-S170 PolarHBondContact O-N 2.96Å; V166-S170 PolarHBondContact O-OG 3.44Å; S167-S170 PolarHBondContact O-N 3.47Å; S170-L172 PolarHBondContact O-N 2.9Å; S170-I173 PolarHBondContact O-N 2.9Å; S170-L174 WeakPolarHBondContact O-CB 3.39Å; S170-L174 VanDerWaalsContact O-CG 3.3Å; S170-L174 WeakPolarHBondContact O-CG 3.35Å; S170-L174 PolarHBondContact O-N 3.11Å
171C98.4Very high97.3Very high73 Ų7347.6 Ų47.649%0.49324%0.243SC..Hα-helixtrans-57.4-47.5174.3-72.30000111.7S167 M168 L169 I173 L174 L175S167-C171 PolarHBondContact O-N 2.97Å; S167-C171 PolarHBondContact O-SG 3.02Å; M168-C171 WeakPolarHBondContact O-CB 3.25Å; M168-C171 PolarHBondContact O-N 2.98Å; L169-C171 VanDerWaalsContact C-N 3.32Å; L169-C171 PolarHBondContact O-N 3.38Å; C171-I173 VanDerWaalsContact C-N 3.33Å; C171-I173 PolarHBondContact O-N 3.43Å; C171-L174 PolarHBondContact O-N 3.42Å; C171-L175 WeakPolarHBondContact O-CB 3.33Å; C171-L175 VanDerWaalsContact O-CG 3.22Å; C171-L175 WeakPolarHBondContact O-CG 3.38Å; C171-L175 PolarHBondContact O-N 2.74Å
172L98.2Very high97.3Very high28 Ų2846.2 Ų46.215%0.14724%0.237CC..Hα-helixtrans-57.3-45.9176.6175.164.3000111.8I88 C91 L92 I95 M168 L169 S170 R176I88-L172 HydrophobicContact CG2-CD2 4.27Å; C91-L172 HydrophobicContact CB-CD2 3.69Å; L92-L172 HydrophobicContact CD2-CD1 4.03Å; L92-L172 HydrophobicContact CD2-CD2 4.23Å; L92-L172 HydrophobicContact CG-CD2 4.35Å; I95-L172 HydrophobicContact CD1-CD1 4.12Å; I95-L172 HydrophobicContact CD1-CD2 4.3Å; I95-L172 HydrophobicContact CD1-CG 4.21Å; M168-L172 PolarHBondContact O-N 2.86Å; L169-L172 WeakPolarHBondContact O-CB 3.23Å; L169-L172 PolarHBondContact O-N 2.85Å; S170-L172 PolarHBondContact O-N 2.9Å; L172-R176 WeakPolarHBondContact O-CB 3.36Å; L172-R176 PolarHBondContact O-N 2.9Å
173I98Very high97.3Very high7 Ų749.3 Ų49.34%0.03625%0.248CC..Hα-helixtrans-63.6-45.9179.3-64.3-58.9000110.9K106 V108 A111 A148 L169 S170 C171 R176 H177K106-I173 WeakPolarHBondContact O-CD1 3.42Å; V108-I173 HydrophobicContact CG2-CG2 4.36Å; A111-I173 HydrophobicContact CB-CD1 3.87Å; A111-I173 HydrophobicContact CB-CG1 3.96Å; A148-I173 HydrophobicContact CB-CB 4.32Å; A148-I173 HydrophobicContact CB-CG2 4Å; L169-I173 WeakPolarHBondContact O-CG1 3.47Å; L169-I173 PolarHBondContact O-N 3.36Å; S170-I173 PolarHBondContact O-N 2.9Å; C171-I173 VanDerWaalsContact C-N 3.33Å; C171-I173 PolarHBondContact O-N 3.43Å; I173-R176 PolarHBondContact O-N 2.75Å; I173-H177 PolarHBondContact O-N 2.9Å; I173-H177 VanDerWaalsContact O-N 3.15Å; I173-H177 PolarHBondContact O-ND1 3.12Å
174L98.3Very high97.2Very high43 Ų4349.9 Ų49.923%0.22525%0.25CC..Hα-helixtrans-62.6-44.8179.2-70170.5000112I145 A148 L149 S170 C171 R176 H177 H178I145-L174 HydrophobicContact CB-CD2 4.48Å; I145-L174 HydrophobicContact CG2-CD2 4Å; A148-L174 HydrophobicContact CB-CD2 4.03Å; A148-L174 HydrophobicContact CB-CG 4.03Å; L149-L174 HydrophobicContact CD2-CD1 3.75Å; L149-L174 HydrophobicContact CD2-CD2 4.29Å; L149-L174 HydrophobicContact CG-CD1 4.34Å; L149-L174 HydrophobicContact CG-CD2 4.12Å; S170-L174 WeakPolarHBondContact O-CB 3.39Å; S170-L174 VanDerWaalsContact O-CG 3.3Å; S170-L174 WeakPolarHBondContact O-CG 3.35Å; S170-L174 PolarHBondContact O-N 3.11Å; C171-L174 PolarHBondContact O-N 3.42Å; L174-R176 VanDerWaalsContact C-N 3.29Å; L174-R176 PolarHBondContact O-N 3.29Å; L174-H177 PolarHBondContact O-N 3.04Å; L174-H178 PolarHBondContact O-N 2.95Å
175L97.6Very high97.2Very high133 Ų13354.6 Ų54.670%0.69626%0.264SS*.Hα-helixtrans-57.2-44.4175.1-71.3171.7000111.2C171 H177 H178C171-L175 WeakPolarHBondContact O-CB 3.33Å; C171-L175 VanDerWaalsContact O-CG 3.22Å; C171-L175 WeakPolarHBondContact O-CG 3.38Å; C171-L175 PolarHBondContact O-N 2.74Å; L175-H177 PolarHBondContact O-N 3.21Å; L175-H178 WeakPolarHBondContact O-CB 3.06Å; L175-H178 PolarHBondContact O-N 3.01Å
176R96.1Very high97.2Very high72 Ų7261.6 Ų61.627%0.27229%0.289SS..Hα-helixtrans-67.6-17.7178.9-172.860.1-166.7114.4-12.2113.5I95 G105 K106 L172 I173 L174I95-R176 HydrophobicContact CD1-CB 4.46Å; I95-R176 HydrophobicContact CD1-CG 4.15Å; I95-R176 HydrophobicContact CG1-CG 4.35Å; G105-R176 PolarHBondContact O-NE 3.42Å; K106-R176 HydrophobicContact CB-CG 3.97Å; K106-R176 HydrophobicContact CG-CG 3.97Å; L172-R176 WeakPolarHBondContact O-CB 3.36Å; L172-R176 PolarHBondContact O-N 2.9Å; I173-R176 PolarHBondContact O-N 2.75Å; L174-R176 VanDerWaalsContact C-N 3.29Å; L174-R176 PolarHBondContact O-N 3.29Å
177H96.4Very high97Very high6 Ų672.2 Ų72.23%0.02833%0.329CS..THydrogen-bonded Turntrans-96.87.9178.4-74.775.3000114.2V108 I145 I173 L174 L175 D179 N180 I181V108-H177 WeakPolarHBondContact CG2-CE1 3.25Å; I145-H177 HydrophobicContact CD1-CB 4.43Å; I145-H177 HydrophobicContact CG1-CB 4.09Å; I173-H177 PolarHBondContact O-N 2.9Å; I173-H177 VanDerWaalsContact O-N 3.15Å; I173-H177 PolarHBondContact O-ND1 3.12Å; L174-H177 PolarHBondContact O-N 3.04Å; L175-H177 PolarHBondContact O-N 3.21Å; H177-D179 VanDerWaalsContact C-N 3.3Å; H177-D179 PolarHBondContact O-N 2.79Å; H177-N180 HydrophobicContact CB-CB 4.45Å; H177-N180 PolarHBondContact CD2-OD1 2.82Å; H177-N180 WeakPolarHBondContact O-CA 3.48Å; H177-N180 WeakPolarHBondContact O-CB 3.38Å; H177-N180 PolarHBondContact O-N 3.31Å; H177-I181 WeakPolarHBondContact O-CG1 3.48Å; H177-I181 PolarHBondContact O-N 3.39Å
178H96.3Very high96.9Very high100 Ų10076.1 Ų76.146%0.46334%0.343SS..Hα-helixtrans-47-49.4177.4177.869.8000113.4L174 L175 N180 I181 Q182L174-H178 PolarHBondContact O-N 2.95Å; L175-H178 WeakPolarHBondContact O-CB 3.06Å; L175-H178 PolarHBondContact O-N 3.01Å; H178-N180 VanDerWaalsContact C-N 3.27Å; H178-N180 PolarHBondContact O-N 3.19Å; H178-I181 WeakPolarHBondContact O-CB 3.29Å; H178-I181 PolarHBondContact O-N 3.17Å; H178-I181 VanDerWaalsContact O-N 3.12Å; H178-Q182 PolarHBondContact CE1-NE2 2.75Å; H178-Q182 PolarHBondContact NE2-NE2 2.6Å; H178-Q182 PolarHBondContact O-N 3.4Å
179D94.4Very high96.6Very high70 Ų7075.2 Ų75.237%0.37434%0.338SS..Hα-helixtrans-64.1-32.2179.2-50.8-34.5000112.7H177 R183H177-D179 VanDerWaalsContact C-N 3.3Å; H177-D179 PolarHBondContact O-N 2.79Å; D179-R183 WeakPolarHBondContact O-CG 3.36Å; D179-R183 PolarHBondContact O-N 2.85Å; D179-R183 PolarHBondContact O-NH1 3.47Å
180N95.7Very high96.2Very high6 Ų678.3 Ų78.33%0.03236%0.357CS..Hα-helixtrans-70.4-40.2175.1-65100000111.4K106 S141 H177 H178 Q182 R183 L184 E189K106-N180 WeakPolarHBondContact CE-OD1 3.47Å; K106-N180 PolarHBondContact NZ-ND2 3.43Å; K106-N180 PolarHBondContact NZ-OD1 3.3Å; S141-N180 WeakPolarHBondContact CB-ND2 3.26Å; H177-N180 HydrophobicContact CB-CB 4.45Å; H177-N180 PolarHBondContact CD2-OD1 2.82Å; H177-N180 WeakPolarHBondContact O-CA 3.48Å; H177-N180 WeakPolarHBondContact O-CB 3.38Å; H177-N180 PolarHBondContact O-N 3.31Å; H178-N180 VanDerWaalsContact C-N 3.27Å; H178-N180 PolarHBondContact O-N 3.19Å; N180-Q182 VanDerWaalsContact C-N 3.29Å; N180-Q182 PolarHBondContact O-N 3.37Å; N180-R183 VanDerWaalsContact CG-NH2 3.26Å; N180-R183 PolarHBondContact ND2-NH2 2.94Å; N180-R183 PolarHBondContact O-N 2.98Å; N180-L184 WeakPolarHBondContact O-CB 3.17Å; N180-L184 WeakPolarHBondContact O-CG 3.27Å; N180-L184 PolarHBondContact O-N 3.31Å; N180-E189 PolarHBondContact ND2-OE1 2.94Å; N180-E189 PolarHBondContact ND2-OE2 2.85Å
181I97.1Very high95.9Very high74 Ų7482.3 Ų82.338%0.37937%0.374SS..Hα-helixtrans-59.9-46.2177.2-66165.3000109I145 H177 H178 R183 L184 W185I145-I181 HydrophobicContact CD1-CD1 4.47Å; I145-I181 HydrophobicContact CD1-CG1 3.62Å; I145-I181 HydrophobicContact CG1-CG1 4.35Å; H177-I181 WeakPolarHBondContact O-CG1 3.48Å; H177-I181 PolarHBondContact O-N 3.39Å; H178-I181 WeakPolarHBondContact O-CB 3.29Å; H178-I181 PolarHBondContact O-N 3.17Å; H178-I181 VanDerWaalsContact O-N 3.12Å; I181-R183 PolarHBondContact O-N 3.23Å; I181-L184 PolarHBondContact O-N 2.65Å; I181-W185 WeakPolarHBondContact O-CB 3.45Å; I181-W185 PolarHBondContact O-N 2.99Å
182Q97.4Very high95.4Very high76 Ų7680.3 Ų80.336%0.35536%0.358SS..Hα-helixtrans-59.7-45174.9-68.3-172.7-13.900112.6H178 N180 W185 R186H178-Q182 PolarHBondContact CE1-NE2 2.75Å; H178-Q182 PolarHBondContact NE2-NE2 2.6Å; H178-Q182 PolarHBondContact O-N 3.4Å; N180-Q182 VanDerWaalsContact C-N 3.29Å; N180-Q182 PolarHBondContact O-N 3.37Å; Q182-W185 PolarHBondContact O-N 3.29Å; Q182-R186 WeakPolarHBondContact O-CB 3.29Å; Q182-R186 VanDerWaalsContact O-CG 3.32Å; Q182-R186 WeakPolarHBondContact O-CG 3.46Å; Q182-R186 PolarHBondContact O-N 2.84Å
183R96.4Very high94.6Very high78 Ų7884.9 Ų84.929%0.29437%0.373SS..Hα-helixtrans-66.1-37.2177.2-77.9-170.3-61.5-82.4-8.4112.9D179 N180 I181 R186 R187 Q188 E189D179-R183 WeakPolarHBondContact O-CG 3.36Å; D179-R183 PolarHBondContact O-N 2.85Å; D179-R183 PolarHBondContact O-NH1 3.47Å; N180-R183 VanDerWaalsContact CG-NH2 3.26Å; N180-R183 PolarHBondContact ND2-NH2 2.94Å; N180-R183 PolarHBondContact O-N 2.98Å; I181-R183 PolarHBondContact O-N 3.23Å; R183-R186 CarbonylContact O-C 3.58Å; R183-R186 PolarHBondContact O-N 3.2Å; R183-R187 PolarHBondContact O-N 3.46Å; R183-Q188 HydrophobicContact CB-CB 4.47Å; R183-Q188 HydrophobicContact CG-CB 4.46Å; R183-Q188 PolarHBondContact O-N 2.99Å; R183-E189 HydrophobicContact CB-CB 4.06Å; R183-E189 VanDerWaalsContact CB-OE2 3.29Å; R183-E189 WeakPolarHBondContact CB-OE2 3.32Å; R183-E189 IonicContact CZ-OE2 3.6Å; R183-E189 IonicContact NE-OE2 2.75Å; R183-E189 PolarHBondContact NE-OE2 3.42Å; R183-E189 IonicContact NH2-OE2 3.62Å; R183-E189 PolarHBondContact O-N 3.41Å
184L96.8Very high93.5Very high39 Ų3988.3 Ų88.320%0.20439%0.394CS..Hα-helixtrans-63.6-47.4175-78.8165.6000110.5Y139 L142 I145 N180 I181 R186 R187 E189Y139-L184 HydrophobicContact CD1-CD2 4.27Å; Y139-L184 HydrophobicContact CD2-CD2 3.81Å; Y139-L184 HydrophobicContact CE2-CD2 4.22Å; Y139-L184 HydrophobicContact CG-CD2 3.85Å; L142-L184 HydrophobicContact CB-CD1 4.27Å; L142-L184 HydrophobicContact CB-CD2 4.49Å; L142-L184 HydrophobicContact CD1-CD1 4.43Å; I145-L184 HydrophobicContact CD1-CD1 3.76Å; N180-L184 WeakPolarHBondContact O-CB 3.17Å; N180-L184 WeakPolarHBondContact O-CG 3.27Å; N180-L184 PolarHBondContact O-N 3.31Å; I181-L184 PolarHBondContact O-N 2.65Å; L184-R186 VanDerWaalsContact C-N 3.31Å; L184-R186 PolarHBondContact O-N 2.78Å; L184-R187 PolarHBondContact O-N 3.15Å; L184-E189 HydrophobicContact CD2-CB 3.8Å; L184-E189 HydrophobicContact CD2-CG 3.94Å; L184-E189 HydrophobicContact CG-CB 3.96Å; L184-E189 HydrophobicContact CG-CG 4.09Å
185W97Very high91.5Very high224 Ų22490.9 Ų90.985%0.84840%0.404SS*.Hα-helixtrans-57.4-44.5176.1-175.3-87.6000112.1I181 Q182 R187I181-W185 WeakPolarHBondContact O-CB 3.45Å; I181-W185 PolarHBondContact O-N 2.99Å; Q182-W185 PolarHBondContact O-N 3.29Å; W185-R187 PolarHBondContact O-N 3.29Å
186R97.4Very high89.4Confident156 Ų15689.7 Ų89.759%0.58939%0.393SS*.THydrogen-bonded Turntrans-78.10.9177.9-65175.7-176179.61.9114.1Q182 R183 L184 Q188Q182-R186 WeakPolarHBondContact O-CB 3.29Å; Q182-R186 VanDerWaalsContact O-CG 3.32Å; Q182-R186 WeakPolarHBondContact O-CG 3.46Å; Q182-R186 PolarHBondContact O-N 2.84Å; R183-R186 CarbonylContact O-C 3.58Å; R183-R186 PolarHBondContact O-N 3.2Å; L184-R186 VanDerWaalsContact C-N 3.31Å; L184-R186 PolarHBondContact O-N 2.78Å; R186-Q188 HydrophobicContact CB-CB 4.41Å; R186-Q188 HydrophobicContact CB-CG 4.06Å; R186-Q188 PolarHBondContact O-N 3.07Å
187R94.3Very high87.1Confident228 Ų22893.5 Ų93.586%0.8641%0.412SS*.THydrogen-bonded Turntrans55.830-174-54.5-178.6177.7-172-0.4114R183 L184 W185R183-R187 PolarHBondContact O-N 3.46Å; L184-R187 PolarHBondContact O-N 3.15Å; W185-R187 PolarHBondContact O-N 3.29Å
188Q94.3Very high84.9Confident123 Ų123102.5 Ų102.558%0.57545%0.445SS*.  trans-105.2-2.8-179.2-71.5171.7-12.100112.9R183 R186R183-Q188 HydrophobicContact CB-CB 4.47Å; R183-Q188 HydrophobicContact CG-CB 4.46Å; R183-Q188 PolarHBondContact O-N 2.99Å; R186-Q188 HydrophobicContact CB-CB 4.41Å; R186-Q188 HydrophobicContact CB-CG 4.06Å; R186-Q188 PolarHBondContact O-N 3.07Å
189E93.5Very high82.5Confident27 Ų27105.1 Ų105.113%0.12646%0.455CS..PPolyproline II helixtrans-67.6138.5178-173.369.1178.600110.9Y139 S141 N180 R183 L184Y139-E189 HydrophobicContact CD1-CB 4.06Å; Y139-E189 HydrophobicContact CD1-CG 3.76Å; Y139-E189 HydrophobicContact CE1-CB 4.12Å; Y139-E189 HydrophobicContact CE1-CG 4.32Å; Y139-E189 VanDerWaalsContact CE1-O 3.3Å; Y139-E189 WeakPolarHBondContact CE1-O 3.26Å; Y139-E189 HydrophobicContact CG-CG 4.42Å; S141-E189 VanDerWaalsContact CB-OE1 3.23Å; S141-E189 WeakPolarHBondContact CB-OE1 3.3Å; S141-E189 WeakPolarHBondContact OG-CG 3.45Å; S141-E189 PolarHBondContact OG-OE1 3.04Å; N180-E189 PolarHBondContact ND2-OE1 2.94Å; N180-E189 PolarHBondContact ND2-OE2 2.85Å; R183-E189 HydrophobicContact CB-CB 4.06Å; R183-E189 VanDerWaalsContact CB-OE2 3.29Å; R183-E189 WeakPolarHBondContact CB-OE2 3.32Å; R183-E189 IonicContact CZ-OE2 3.6Å; R183-E189 IonicContact NE-OE2 2.75Å; R183-E189 PolarHBondContact NE-OE2 3.42Å; R183-E189 IonicContact NH2-OE2 3.62Å; R183-E189 PolarHBondContact O-N 3.41Å; L184-E189 HydrophobicContact CD2-CB 3.8Å; L184-E189 HydrophobicContact CD2-CG 3.94Å; L184-E189 HydrophobicContact CG-CB 3.96Å; L184-E189 HydrophobicContact CG-CG 4.09Å
190T89.7Confident80.3Confident72 Ų72112.1 Ų112.144%0.44248%0.476SS..PPolyproline II helixtrans-83.1126.4-178.1-44.20000111.3
191K91.1Very high78.3Confident93 Ų93118.4 Ų118.440%0.40451%0.506SS..PPolyproline II helixtrans-67.3146170.3-66.7-174.4176.5-173.40111.3G138 Y139 W193 T194G138-K191 CarbonylContact O-C 3.52Å; G138-K191 VanDerWaalsContact O-CA 3.26Å; G138-K191 WeakPolarHBondContact O-CA 3.3Å; Y139-K191 HydrophobicContact CD1-CG 3.84Å; Y139-K191 HydrophobicContact CE1-CB 4.4Å; Y139-K191 HydrophobicContact CE1-CD 4.35Å; Y139-K191 HydrophobicContact CE1-CG 3.33Å; Y139-K191 VanDerWaalsContact OH-CE 3.3Å; Y139-K191 WeakPolarHBondContact OH-CE 3.42Å; K191-W193 PolarHBondContact O-N 3.11Å; K191-T194 PolarHBondContact O-OG1 3.27Å
192I86.9Confident76.2Confident32 Ų32123.3 Ų123.316%0.16452%0.524CS..THydrogen-bonded Turntrans-62.4-37.7174.3-61.1-180000110.3T44 L47 V134 G138 T194T44-I192 HydrophobicContact CG2-CD1 4.45Å; T44-I192 HydrophobicContact CG2-CG1 4.19Å; L47-I192 HydrophobicContact CD2-CG2 4.1Å; V134-I192 HydrophobicContact CG1-CD1 3.52Å; G138-I192 PolarHBondContact O-N 3.24Å; I192-T194 VanDerWaalsContact C-N 3.29Å; I192-T194 PolarHBondContact O-N 3.39Å
193W81.8Confident74.3Confident124 Ų124125.2 Ų125.247%0.4754%0.537SS..THydrogen-bonded Turntrans-74.2-12.6-172-5293.9000114.8L135 K191 K195 F196L135-W193 HydrophobicContact CD2-CH2 4.29Å; L135-W193 HydrophobicContact CD2-CZ2 4Å; K191-W193 PolarHBondContact O-N 3.11Å; W193-K195 PolarHBondContact O-N 3.32Å; W193-F196 HydrophobicContact CE3-CD2 4.03Å; W193-F196 HydrophobicContact CE3-CE2 4.15Å; W193-F196 PolarHBondContact O-N 3.45Å
194T74.7Confident72.2Confident78 Ų78126.5 Ų126.548%0.47956%0.555SS.*Hα-helixtrans-59.9-23.8-175.6-42.70000112.7K191 I192K191-T194 PolarHBondContact O-OG1 3.27Å; I192-T194 VanDerWaalsContact C-N 3.29Å; I192-T194 PolarHBondContact O-N 3.39Å
195K57Low69.9Low97 Ų97137.4 Ų137.442%0.42261%0.605SS.*Hα-helixtrans-67.8-31.1174.7-157.3-171.7-172.2-176.30113L47 R48 W193L47-K195 PolarHBondContact O-NZ 3.2Å; R48-K195 WeakPolarHBondContact O-CE 3.38Å; R48-K195 PolarHBondContact O-NZ 3.15Å; W193-K195 PolarHBondContact O-N 3.32Å
196F53.9Low68.5Low108 Ų108133.1 Ų133.147%0.47459%0.593SS.*Hα-helixtrans-73.1-31.1-179.3-68.4-74.2000112.4W193W193-F196 HydrophobicContact CE3-CD2 4.03Å; W193-F196 HydrophobicContact CE3-CE2 4.15Å; W193-F196 PolarHBondContact O-N 3.45Å
197K46.9Very low67Low152 Ų152131.8 Ų131.866%0.66159%0.593SS**Hα-helixtrans-67.8-47176.9-107.9-169.1172.7-165.70112.7K199 R200 E201K197-K199 VanDerWaalsContact C-N 3.28Å; K197-K199 PolarHBondContact O-N 3.03Å; K197-R200 PolarHBondContact O-N 3.35Å; K197-R200 VanDerWaalsContact O-N 3.17Å; K197-E201 PolarHBondContact O-N 3.46Å
198R50.6Low65.5Low196 Ų196126.5 Ų126.574%0.7458%0.578SS**Hα-helixtrans-65.6-25-178.1-104.4-177.8164.8-178.2-3.8114.7
199K45.9Very low63.8Low154 Ų154126.7 Ų126.767%0.6758%0.579SS**Hα-helixtrans-76.5-37.6175.1-157.9178.9-179.4-169.60111.2K197 E201 K202 D203K197-K199 VanDerWaalsContact C-N 3.28Å; K197-K199 PolarHBondContact O-N 3.03Å; K199-E201 VanDerWaalsContact C-N 3.33Å; K199-E201 PolarHBondContact O-N 3.37Å; K199-K202 PolarHBondContact O-N 3.19Å; K199-D203 PolarHBondContact O-N 3.17Å
200R48Very low61.9Low217 Ų217132.9 Ų132.982%0.81961%0.607SS**Hα-helixtrans-65.2-31.6174.2-95.1-174.6160.5-162-5.9114K197K197-R200 PolarHBondContact O-N 3.35Å; K197-R200 VanDerWaalsContact O-N 3.17Å
201E53.7Low60.1Low138 Ų138137 Ų13765%0.64562%0.618SS**THydrogen-bonded Turntrans-78.8-19.1178.3-74167.9179.400113.6K197 K199K197-E201 PolarHBondContact O-N 3.46Å; K199-E201 VanDerWaalsContact C-N 3.33Å; K199-E201 PolarHBondContact O-N 3.37Å
202K53.2Low57.9Low178 Ų178140.1 Ų140.177%0.77463%0.633SS**THydrogen-bonded Turntrans-92.4-20.9179.1-80.5-168.9171.2-164.90114.1K199 P204K199-K202 PolarHBondContact O-N 3.19Å; K202-P204 WeakPolarHBondContact O-CD 3.38Å
203D57Low55.7Low116 Ų116148.5 Ų148.562%0.6267%0.669SS**SBendtrans-116.572.1170.3-63.5-36000108.3K199 E205K199-D203 PolarHBondContact O-N 3.17Å; D203-E205 PolarHBondContact O-N 3.29Å
204P52.2Low53.5Low104 Ų104150.5 Ų150.568%0.67569%0.686SS**  trans-65.8119.6161.829.5-28.8000106.6K202K202-P204 WeakPolarHBondContact O-CD 3.38Å
205E48.6Very low51.6Low268 Ų268157.1 Ų157.1100%1.25271%0.705SS**  trans-51.10168.3-75.1179.6160.400111.6D203D203-E205 PolarHBondContact O-N 3.29Å

Retrieved 205 of 205 residues in 1254.8 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).