A0A3Q0KKB0_SCHMA Loading...

Bax inhibitor 1-related

AlphaFold DB , UniProt , Accession A0A3Q0KKB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 225 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
1M49.4Very low43.5Very low224 Ų224143.6 Ų143.6100%1.10367%0.667SS**  0-30.20-92.8163.9166.800114.7F3M1-F3 PolarHBondContact O-N 3Å
2G48.9Very low43.3Very low54 Ų54141.6 Ų141.656%0.55767%0.665SS**Hα-helixtrans-66-24.6-179.100000117.1I5 K6G2-I5 PolarHBondContact O-N 3.44Å; G2-K6 PolarHBondContact O-N 3.1Å
3F44.7Very low43.2Very low173 Ų173140 Ų14076%0.75967%0.67SS**Hα-helixtrans-71.9-31.9-177.9-131.2-88.8000113.5M1 H7M1-F3 PolarHBondContact O-N 3Å; F3-H7 PolarHBondContact O-N 3.28Å
4R48.6Very low42.5Very low211 Ų211145.9 Ų145.980%0.79668%0.682SS**Hα-helixtrans-72.2-33175.8-81.8-169.6174.7-162.8-0.8112.4H7 I8R4-H7 PolarHBondContact O-N 3.48Å; R4-I8 WeakPolarHBondContact O-CD1 3.49Å; R4-I8 VanDerWaalsContact O-CG1 3.31Å; R4-I8 WeakPolarHBondContact O-CG1 3.34Å; R4-I8 PolarHBondContact O-N 3.25Å; R4-I8 VanDerWaalsContact O-N 3.11Å
5I49.4Very low42.4Very low103 Ų103143.9 Ų143.953%0.52867%0.673SS.*Hα-helixtrans-68-38.9179-59.5172.2000110.6G2 I8 F9G2-I5 PolarHBondContact O-N 3.44Å; I5-I8 PolarHBondContact O-N 3.12Å; I5-F9 HydrophobicContact CG2-CD2 4.42Å; I5-F9 PolarHBondContact O-N 3.02Å; I5-F9 VanDerWaalsContact O-N 3.1Å
6K42Very low42.6Very low154 Ų154142.1 Ų142.167%0.6768%0.678SS**Hα-helixtrans-64.5-39.4175.7-120.6-179.6-178.7-178.50112.6G2 F9 Q10G2-K6 PolarHBondContact O-N 3.1Å; K6-F9 PolarHBondContact O-N 3.16Å; K6-Q10 WeakPolarHBondContact O-CB 3.39Å; K6-Q10 WeakPolarHBondContact O-CG 3.32Å; K6-Q10 PolarHBondContact O-N 2.66Å
7H40.4Very low43.3Very low104 Ų104145.4 Ų145.448%0.48169%0.688SS.*Hα-helixtrans-68.4-37.1176.5-99.2-83.2000113.2F3 R4 Q10 W11F3-H7 PolarHBondContact O-N 3.28Å; R4-H7 PolarHBondContact O-N 3.48Å; H7-Q10 PolarHBondContact O-N 3.34Å; H7-W11 WeakPolarHBondContact O-CB 3.46Å; H7-W11 PolarHBondContact O-N 3.19Å
8I44.9Very low44.2Very low108 Ų108140.4 Ų140.455%0.55467%0.67SS**Hα-helixtrans-65.6-42.4175.8-66.9163.7000110.6R4 I5 W11 N12R4-I8 WeakPolarHBondContact O-CD1 3.49Å; R4-I8 VanDerWaalsContact O-CG1 3.31Å; R4-I8 WeakPolarHBondContact O-CG1 3.34Å; R4-I8 PolarHBondContact O-N 3.25Å; R4-I8 VanDerWaalsContact O-N 3.11Å; I5-I8 PolarHBondContact O-N 3.12Å; I8-W11 PolarHBondContact O-N 3.37Å; I8-N12 PolarHBondContact O-N 3.32Å; I8-N12 VanDerWaalsContact O-N 3.16Å
9F39Very low45.4Very low144 Ų144136.5 Ų136.563%0.63266%0.659SS**Hα-helixtrans-67.7-39.7176-101.8-87.5000112.8I5 K6 N12 V13I5-F9 HydrophobicContact CG2-CD2 4.42Å; I5-F9 PolarHBondContact O-N 3.02Å; I5-F9 VanDerWaalsContact O-N 3.1Å; K6-F9 PolarHBondContact O-N 3.16Å; F9-N12 PolarHBondContact O-N 3.04Å; F9-V13 WeakPolarHBondContact O-CG2 3.19Å; F9-V13 PolarHBondContact O-N 3.18Å
10Q36.8Very low46.3Very low121 Ų121135.1 Ų135.157%0.56565%0.648SS**Hα-helixtrans-70.7-29.4176.3-77.1-169-30.100113.4K6 H7 V13 R14K6-Q10 WeakPolarHBondContact O-CB 3.39Å; K6-Q10 WeakPolarHBondContact O-CG 3.32Å; K6-Q10 PolarHBondContact O-N 2.66Å; H7-Q10 PolarHBondContact O-N 3.34Å; Q10-V13 PolarHBondContact O-N 2.91Å; Q10-R14 PolarHBondContact O-N 3.49Å
11W34.5Very low47.2Very low184 Ų184132.3 Ų132.370%0.69764%0.639SS**Hα-helixtrans-66.1-40.7170.9-107.265.3000112.1H7 I8 V13 R14 Q15H7-W11 WeakPolarHBondContact O-CB 3.46Å; H7-W11 PolarHBondContact O-N 3.19Å; I8-W11 PolarHBondContact O-N 3.37Å; W11-V13 VanDerWaalsContact C-N 3.27Å; W11-V13 PolarHBondContact O-N 3.42Å; W11-R14 PolarHBondContact O-N 2.92Å; W11-Q15 PolarHBondContact O-N 2.96Å
12N41.5Very low48Very low119 Ų119123.1 Ų123.164%0.63660%0.599SS**Hα-helixtrans-66.6-25176.2-89.2-6.1000113.9I8 F9I8-N12 PolarHBondContact O-N 3.32Å; I8-N12 VanDerWaalsContact O-N 3.16Å; F9-N12 PolarHBondContact O-N 3.04Å
13V40.9Very low49Very low121 Ų121123.9 Ų123.973%0.73359%0.589SS**Hα-helixtrans-80.3-20176.9177.30000112.3F9 Q10 W11F9-V13 WeakPolarHBondContact O-CG2 3.19Å; F9-V13 PolarHBondContact O-N 3.18Å; Q10-V13 PolarHBondContact O-N 2.91Å; W11-V13 VanDerWaalsContact C-N 3.27Å; W11-V13 PolarHBondContact O-N 3.42Å
14R33.6Very low50.2Low223 Ų223116.1 Ų116.184%0.84256%0.555SS**Hα-helixtrans-96.4-7.3179.7-79.3-171.6-171.9-177.73.1115Q10 W11Q10-R14 PolarHBondContact O-N 3.49Å; W11-R14 PolarHBondContact O-N 2.92Å
15Q42Very low51.2Low116 Ų116110.6 Ų110.654%0.54254%0.542SS..SBendtrans-72.7125.7174.1-67-118.5-28.900108.7W11 K17W11-Q15 PolarHBondContact O-N 2.96Å; Q15-K17 PolarHBondContact O-N 3.15Å; Q15-K17 VanDerWaalsContact O-N 3.1Å
16P44.7Very low52.3Low115 Ų115109.9 Ų109.975%0.74754%0.538SS*.PPolyproline II helixtrans-57122.7172.923.4-30.3000107.4P18P16-P18 VanDerWaalsContact O-N 3.13Å
17K55.2Low54.1Low197 Ų197103.6 Ų103.686%0.85751%0.511SS*.PPolyproline II helixtrans-54.3124.7175.1-73.8-178.7-1801770106.9Q15 S19Q15-K17 PolarHBondContact O-N 3.15Å; Q15-K17 VanDerWaalsContact O-N 3.1Å; K17-S19 PolarHBondContact O-N 3.36Å
18P58.7Low55.8Low57 Ų5799.1 Ų99.137%0.3749%0.491SS..PPolyproline II helixtrans-54.8142.5177.320.4-30.6000109P16 A22 M23P16-P18 VanDerWaalsContact O-N 3.13Å; P18-A22 HydrophobicContact CB-CB 3.91Å; P18-M23 HydrophobicContact CB-SD 4Å; P18-M23 HydrophobicContact CG-CB 4.42Å; P18-M23 HydrophobicContact CG-CE 3.4Å; P18-M23 HydrophobicContact CG-CG 4.02Å; P18-M23 HydrophobicContact CG-SD 3.21Å; P18-M23 WeakPolarHBondContact CG-SD 3.42Å
19S68.2Low57.2Low66 Ų6696.9 Ų96.946%0.46249%0.485SS..PPolyproline II helixtrans-54.8155.1176.262.90000110K17 T21 A22 M23K17-S19 PolarHBondContact O-N 3.36Å; S19-T21 PolarHBondContact O-N 3.47Å; S19-T21 VanDerWaalsContact O-N 3.14Å; S19-T21 PolarHBondContact OG-OG1 2.91Å; S19-A22 WeakPolarHBondContact O-CA 3.16Å; S19-A22 WeakPolarHBondContact O-CB 3.32Å; S19-A22 PolarHBondContact O-N 2.94Å; S19-A22 VanDerWaalsContact OG-CB 3.3Å; S19-A22 WeakPolarHBondContact OG-CB 3.5Å; S19-A22 PolarHBondContact OG-N 3.24Å; S19-A22 VanDerWaalsContact OG-N 3.14Å; S19-M23 PolarHBondContact O-N 3.06Å
20Y63.3Low59.1Low108 Ų10892.4 Ų92.442%0.42448%0.475SS..Hα-helixtrans-45.9-47.5174.6174.2-92.3000111.6M23 V24 P189 A194Y20-M23 PolarHBondContact O-N 3.43Å; Y20-V24 HydrophobicContact CD1-CG2 4.3Å; Y20-V24 HydrophobicContact CE1-CG2 3.95Å; Y20-V24 HydrophobicContact CE2-CG2 4.46Å; Y20-V24 VanDerWaalsContact O-CG2 3.29Å; Y20-V24 WeakPolarHBondContact O-CG2 3.17Å; Y20-V24 PolarHBondContact O-N 3.36Å; Y20-P189 VanDerWaalsContact CE2-O 3.26Å; Y20-P189 WeakPolarHBondContact CE2-O 3.13Å; Y20-A194 VanDerWaalsContact OH-CB 3.26Å; Y20-A194 WeakPolarHBondContact OH-CB 2.99Å
21T65.1Low61.3Low76 Ų7686.9 Ų86.947%0.46645%0.449SS..Hα-helixtrans-61.4-45177.351.40000112.8S19 M23 V24 L25S19-T21 PolarHBondContact O-N 3.47Å; S19-T21 VanDerWaalsContact O-N 3.14Å; S19-T21 PolarHBondContact OG-OG1 2.91Å; T21-M23 VanDerWaalsContact C-N 3.3Å; T21-M23 PolarHBondContact O-N 2.85Å; T21-V24 PolarHBondContact O-N 3.13Å; T21-L25 WeakPolarHBondContact O-CB 3.46Å; T21-L25 VanDerWaalsContact O-CG 3.3Å; T21-L25 WeakPolarHBondContact O-CG 3.34Å; T21-L25 PolarHBondContact O-N 2.99Å
22A65.8Low63.5Low32 Ų3278.6 Ų78.626%0.26442%0.42SS..Hα-helixtrans-62.8-40.1177.500000111.1P18 S19 L25 I26P18-A22 HydrophobicContact CB-CB 3.91Å; S19-A22 WeakPolarHBondContact O-CA 3.16Å; S19-A22 WeakPolarHBondContact O-CB 3.32Å; S19-A22 PolarHBondContact O-N 2.94Å; S19-A22 VanDerWaalsContact OG-CB 3.3Å; S19-A22 WeakPolarHBondContact OG-CB 3.5Å; S19-A22 PolarHBondContact OG-N 3.24Å; S19-A22 VanDerWaalsContact OG-N 3.14Å; A22-L25 PolarHBondContact O-N 3.41Å; A22-I26 WeakPolarHBondContact O-CB 3.44Å; A22-I26 WeakPolarHBondContact O-CD1 3.45Å; A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 2.96Å
23M69.7Low65.5Low70 Ų7077 Ų7735%0.34541%0.414SS..Hα-helixtrans-71.4-37.9-177.8-138.539.615700112.7P18 S19 Y20 T21 I26 L27P18-M23 HydrophobicContact CB-SD 4Å; P18-M23 HydrophobicContact CG-CB 4.42Å; P18-M23 HydrophobicContact CG-CE 3.4Å; P18-M23 HydrophobicContact CG-CG 4.02Å; P18-M23 HydrophobicContact CG-SD 3.21Å; P18-M23 WeakPolarHBondContact CG-SD 3.42Å; S19-M23 PolarHBondContact O-N 3.06Å; Y20-M23 PolarHBondContact O-N 3.43Å; T21-M23 VanDerWaalsContact C-N 3.3Å; T21-M23 PolarHBondContact O-N 2.85Å; M23-I26 HydrophobicContact SD-CD1 4.08Å; M23-L27 WeakPolarHBondContact O-CB 3.32Å; M23-L27 WeakPolarHBondContact O-CG 3.27Å; M23-L27 PolarHBondContact O-N 3.19Å
24V69.1Low67.6Low9 Ų974 Ų746%0.05540%0.396CS..Hα-helixtrans-59.1-50.7170.1171.80000110.6Y20 T21 I26 L27 T28 A194 A195 L198Y20-V24 HydrophobicContact CD1-CG2 4.3Å; Y20-V24 HydrophobicContact CE1-CG2 3.95Å; Y20-V24 HydrophobicContact CE2-CG2 4.46Å; Y20-V24 VanDerWaalsContact O-CG2 3.29Å; Y20-V24 WeakPolarHBondContact O-CG2 3.17Å; Y20-V24 PolarHBondContact O-N 3.36Å; T21-V24 PolarHBondContact O-N 3.13Å; V24-I26 PolarHBondContact O-N 3.18Å; V24-L27 PolarHBondContact O-N 3.09Å; V24-T28 PolarHBondContact O-N 3.31Å; V24-T28 PolarHBondContact O-OG1 3.17Å; V24-T28 VanDerWaalsContact O-OG1 3.08Å; V24-A194 HydrophobicContact CG1-CB 4.09Å; V24-A194 HydrophobicContact CG2-CB 3.76Å; V24-A195 HydrophobicContact CG1-CB 4.4Å; V24-L198 HydrophobicContact CG1-CD1 3.52Å
25L70.4Confident70.1Confident96 Ų9663.4 Ų63.450%0.50336%0.356SS..Hα-helixtrans-64.2-40.4-179-70.7172.8000112.7T21 A22 S29T21-L25 WeakPolarHBondContact O-CB 3.46Å; T21-L25 VanDerWaalsContact O-CG 3.3Å; T21-L25 WeakPolarHBondContact O-CG 3.34Å; T21-L25 PolarHBondContact O-N 2.99Å; A22-L25 PolarHBondContact O-N 3.41Å; L25-S29 WeakPolarHBondContact O-CB 3.34Å; L25-S29 PolarHBondContact O-N 3.49Å; L25-S29 PolarHBondContact O-OG 3.38Å
26I73.1Confident71.9Confident88 Ų8860 Ų6045%0.45134%0.34SS..Hα-helixtrans-60.7-48.5175.8-71.5163.2000109.9A22 M23 V24 S29 A30A22-I26 WeakPolarHBondContact O-CB 3.44Å; A22-I26 WeakPolarHBondContact O-CD1 3.45Å; A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 2.96Å; M23-I26 HydrophobicContact SD-CD1 4.08Å; V24-I26 PolarHBondContact O-N 3.18Å; I26-S29 PolarHBondContact O-N 3.46Å; I26-S29 PolarHBondContact O-OG 3.48Å; I26-A30 WeakPolarHBondContact O-CB 3.47Å; I26-A30 PolarHBondContact O-N 3.43Å
27L78.9Confident73.8Confident22 Ų2257.7 Ų57.712%0.11532%0.324CS..Hα-helixtrans-63.2-49.1179.2-72.9169.4000111.7M23 V24 S29 A30 L31 I86 L89 Y191 A195M23-L27 WeakPolarHBondContact O-CB 3.32Å; M23-L27 WeakPolarHBondContact O-CG 3.27Å; M23-L27 PolarHBondContact O-N 3.19Å; V24-L27 PolarHBondContact O-N 3.09Å; L27-S29 VanDerWaalsContact C-N 3.3Å; L27-S29 PolarHBondContact O-N 2.98Å; L27-A30 PolarHBondContact O-N 3.22Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 2.95Å; L27-L31 PolarHBondContact O-N 3Å; L27-I86 HydrophobicContact CD2-CG2 4.13Å; L27-L89 HydrophobicContact CB-CD2 4.48Å; L27-L89 HydrophobicContact CD1-CD2 4.2Å; L27-Y191 HydrophobicContact CD1-CD2 3.55Å; L27-Y191 HydrophobicContact CD1-CE2 3.95Å; L27-A195 HydrophobicContact CB-CB 3.75Å; L27-A195 HydrophobicContact CD1-CB 4.25Å
28T75.6Confident75.1Confident9 Ų949.7 Ų49.76%0.05529%0.292CS..Hα-helixtrans-60.5-40.2177.9-58.10000111.6V24 L31 S32 A195 L198 F199V24-T28 PolarHBondContact O-N 3.31Å; V24-T28 PolarHBondContact O-OG1 3.17Å; V24-T28 VanDerWaalsContact O-OG1 3.08Å; T28-L31 PolarHBondContact O-N 2.92Å; T28-S32 WeakPolarHBondContact O-CB 3.35Å; T28-S32 PolarHBondContact O-N 2.86Å; T28-A195 WeakPolarHBondContact OG1-CA 3.28Å; T28-A195 PolarHBondContact OG1-O 3.05Å; T28-L198 HydrophobicContact CG2-CB 4.02Å; T28-F199 HydrophobicContact CG2-CB 4.41Å
29S75Confident76.2Confident61 Ų6147 Ų4743%0.42728%0.275SS..Hα-helixtrans-64.3-45.3176.3730000111.9L25 I26 L27 L31 S32 V33L25-S29 WeakPolarHBondContact O-CB 3.34Å; L25-S29 PolarHBondContact O-N 3.49Å; L25-S29 PolarHBondContact O-OG 3.38Å; I26-S29 PolarHBondContact O-N 3.46Å; I26-S29 PolarHBondContact O-OG 3.48Å; L27-S29 VanDerWaalsContact C-N 3.3Å; L27-S29 PolarHBondContact O-N 2.98Å; S29-L31 VanDerWaalsContact C-N 3.35Å; S29-L31 PolarHBondContact O-N 3.42Å; S29-S32 WeakPolarHBondContact CA-OG 3.47Å; S29-S32 PolarHBondContact O-N 3.41Å; S29-S32 VanDerWaalsContact O-N 3.17Å; S29-S32 PolarHBondContact O-OG 3.04Å; S29-V33 WeakPolarHBondContact O-CG2 3.18Å; S29-V33 PolarHBondContact O-N 2.92Å
30A78.8Confident76.8Confident51 Ų5147.2 Ų47.242%0.42127%0.27SS..Hα-helixtrans-61-44.4176.900000111.6I26 L27 S32 V33 V34I26-A30 WeakPolarHBondContact O-CB 3.47Å; I26-A30 PolarHBondContact O-N 3.43Å; L27-A30 PolarHBondContact O-N 3.22Å; A30-S32 VanDerWaalsContact C-N 3.33Å; A30-S32 PolarHBondContact O-N 2.93Å; A30-V33 PolarHBondContact O-N 3.05Å; A30-V34 WeakPolarHBondContact O-CG2 3.27Å; A30-V34 PolarHBondContact O-N 3.47Å
31L84.3Confident77.8Confident5 Ų546.8 Ų46.83%0.02627%0.274CS..Hα-helixtrans-63.3-39.1175.7-66.1172.7000111.8L27 T28 S29 V33 V34 S35 L89 I90 F199L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 2.95Å; L27-L31 PolarHBondContact O-N 3Å; T28-L31 PolarHBondContact O-N 2.92Å; S29-L31 VanDerWaalsContact C-N 3.35Å; S29-L31 PolarHBondContact O-N 3.42Å; L31-V33 PolarHBondContact O-N 3.44Å; L31-V34 PolarHBondContact O-N 3.11Å; L31-S35 WeakPolarHBondContact O-CB 3.1Å; L31-S35 PolarHBondContact O-N 3.21Å; L31-L89 HydrophobicContact CD1-CD1 4.12Å; L31-L89 HydrophobicContact CD1-CD2 4.25Å; L31-L89 HydrophobicContact CD1-CG 3.97Å; L31-I90 HydrophobicContact CD2-CG1 4.48Å; L31-F199 VanDerWaalsContact C-CE2 3.42Å; L31-F199 HydrophobicContact CB-CD1 4.3Å; L31-F199 HydrophobicContact CB-CD2 3.47Å; L31-F199 VanDerWaalsContact CB-CD2 3.47Å; L31-F199 HydrophobicContact CB-CE1 4.35Å; L31-F199 HydrophobicContact CB-CE2 3.55Å; L31-F199 HydrophobicContact CB-CG 3.86Å; L31-F199 HydrophobicContact CB-CZ 3.99Å; L31-F199 HydrophobicContact CD1-CB 4.06Å; L31-F199 HydrophobicContact CD1-CD1 4.12Å; L31-F199 HydrophobicContact CD1-CD2 4.37Å; L31-F199 HydrophobicContact CD1-CG 3.91Å; L31-F199 WeakPolarHBondContact O-CE2 3.26Å
32S80.5Confident78.5Confident10 Ų1043.7 Ų43.77%0.0726%0.255CS..Hα-helixtrans-62.8-41.6176.578.10000112.1T28 S29 A30 S35 I36T28-S32 WeakPolarHBondContact O-CB 3.35Å; T28-S32 PolarHBondContact O-N 2.86Å; S29-S32 WeakPolarHBondContact CA-OG 3.47Å; S29-S32 PolarHBondContact O-N 3.41Å; S29-S32 VanDerWaalsContact O-N 3.17Å; S29-S32 PolarHBondContact O-OG 3.04Å; A30-S32 VanDerWaalsContact C-N 3.33Å; A30-S32 PolarHBondContact O-N 2.93Å; S32-S35 WeakPolarHBondContact O-CB 3.36Å; S32-S35 PolarHBondContact O-N 2.86Å; S32-I36 WeakPolarHBondContact O-CD1 3.17Å; S32-I36 VanDerWaalsContact O-CG1 3.27Å; S32-I36 WeakPolarHBondContact O-CG1 3.44Å; S32-I36 PolarHBondContact O-N 3.08Å
33V82.7Confident79Confident86 Ų8643 Ų4352%0.52125%0.248SC..Hα-helixtrans-63.7-44.2176.31730000110.7S29 A30 L31 S35 T37S29-V33 WeakPolarHBondContact O-CG2 3.18Å; S29-V33 PolarHBondContact O-N 2.92Å; A30-V33 PolarHBondContact O-N 3.05Å; L31-V33 PolarHBondContact O-N 3.44Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 2.85Å; V33-T37 VanDerWaalsContact O-CB 3.31Å; V33-T37 WeakPolarHBondContact O-CB 3.41Å; V33-T37 PolarHBondContact O-N 3.16Å; V33-T37 PolarHBondContact O-OG1 2.96Å
34V85Confident79.5Confident57 Ų5745.1 Ų45.135%0.34527%0.265SS..Hα-helixtrans-57.8-45.5173.8171.60000110.2A30 L31 T37 V38A30-V34 WeakPolarHBondContact O-CG2 3.27Å; A30-V34 PolarHBondContact O-N 3.47Å; L31-V34 PolarHBondContact O-N 3.11Å; V34-T37 PolarHBondContact O-N 3.4Å; V34-V38 HydrophobicContact CG1-CG2 4.34Å; V34-V38 WeakPolarHBondContact O-CB 3.4Å; V34-V38 VanDerWaalsContact O-CG2 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.37Å; V34-V38 PolarHBondContact O-N 2.99Å
35S85.9Confident79.9Confident0 Ų047.9 Ų47.90%028%0.279CS..Hα-helixtrans-65.5-45.1-177.4-159.80000113.7L31 S32 V33 T37 V38 T39 S97 W116 L203L31-S35 WeakPolarHBondContact O-CB 3.1Å; L31-S35 PolarHBondContact O-N 3.21Å; S32-S35 WeakPolarHBondContact O-CB 3.36Å; S32-S35 PolarHBondContact O-N 2.86Å; V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 2.85Å; S35-T37 VanDerWaalsContact C-N 3.32Å; S35-T37 PolarHBondContact O-N 3.06Å; S35-V38 PolarHBondContact O-N 3.39Å; S35-T39 WeakPolarHBondContact O-CB 3.46Å; S35-T39 PolarHBondContact O-N 3.35Å; S35-T39 PolarHBondContact O-OG1 3.44Å; S35-S97 WeakPolarHBondContact CA-OG 3.37Å; S35-S97 WeakPolarHBondContact CB-OG 3.31Å; S35-S97 WeakPolarHBondContact OG-CB 3.47Å; S35-S97 PolarHBondContact OG-OG 3.26Å; S35-W116 WeakPolarHBondContact OG-CH2 3.13Å; S35-L203 WeakPolarHBondContact OG-CD2 3.29Å
36I80.4Confident79.7Confident44 Ų4451.5 Ų51.523%0.22629%0.291CS..Hα-helixtrans-60-46.9174.6-66161.5000109.6S32 V38 T39 L40 W116 F120S32-I36 WeakPolarHBondContact O-CD1 3.17Å; S32-I36 VanDerWaalsContact O-CG1 3.27Å; S32-I36 WeakPolarHBondContact O-CG1 3.44Å; S32-I36 PolarHBondContact O-N 3.08Å; I36-V38 PolarHBondContact O-N 3.13Å; I36-T39 PolarHBondContact O-N 2.89Å; I36-L40 HydrophobicContact CG2-CD1 3.82Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 WeakPolarHBondContact O-CB 3.32Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.35Å; I36-L40 PolarHBondContact O-N 3.43Å; I36-W116 HydrophobicContact CD1-CD2 4.43Å; I36-W116 HydrophobicContact CD1-CE3 4.43Å; I36-W116 HydrophobicContact CG1-CD2 3.63Å; I36-W116 HydrophobicContact CG1-CE3 3.95Å; I36-W116 HydrophobicContact CG1-CG 4.11Å; I36-W116 HydrophobicContact CG1-CH2 4.19Å; I36-W116 HydrophobicContact CG1-CZ2 3.88Å; I36-W116 HydrophobicContact CG1-CZ3 4.21Å; I36-F120 HydrophobicContact CD1-CE2 3.82Å; I36-F120 HydrophobicContact CD1-CZ 3.93Å
37T83.4Confident79.3Confident67 Ų6754.1 Ų54.141%0.41131%0.306SS..Hα-helixtrans-59.2-48179.8-57.70000111.2V33 V34 S35 T39 L40 I41V33-T37 VanDerWaalsContact O-CB 3.31Å; V33-T37 WeakPolarHBondContact O-CB 3.41Å; V33-T37 PolarHBondContact O-N 3.16Å; V33-T37 PolarHBondContact O-OG1 2.96Å; V34-T37 PolarHBondContact O-N 3.4Å; S35-T37 VanDerWaalsContact C-N 3.32Å; S35-T37 PolarHBondContact O-N 3.06Å; T37-T39 PolarHBondContact O-N 2.93Å; T37-L40 PolarHBondContact O-N 3.19Å; T37-I41 HydrophobicContact CG2-CD1 3.67Å; T37-I41 HydrophobicContact CG2-CG1 4.36Å; T37-I41 WeakPolarHBondContact O-CB 3.49Å; T37-I41 VanDerWaalsContact O-CG1 3.24Å; T37-I41 WeakPolarHBondContact O-CG1 3.27Å; T37-I41 PolarHBondContact O-N 3.41Å
38V84.4Confident78.7Confident29 Ų2956.7 Ų56.718%0.17632%0.316CS..Hα-helixtrans-58.9-47176.3167.40000110.8V34 S35 I36 L40 I41 L42 V98V34-V38 HydrophobicContact CG1-CG2 4.34Å; V34-V38 WeakPolarHBondContact O-CB 3.4Å; V34-V38 VanDerWaalsContact O-CG2 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.37Å; V34-V38 PolarHBondContact O-N 2.99Å; S35-V38 PolarHBondContact O-N 3.39Å; I36-V38 PolarHBondContact O-N 3.13Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 3.04Å; V38-I41 PolarHBondContact O-N 2.75Å; V38-L42 HydrophobicContact CG1-CD1 3.72Å; V38-L42 HydrophobicContact CG1-CG 4.38Å; V38-L42 WeakPolarHBondContact O-CB 3.28Å; V38-L42 VanDerWaalsContact O-CG 3.24Å; V38-L42 WeakPolarHBondContact O-CG 3.4Å; V38-L42 PolarHBondContact O-N 3.29Å; V38-V98 HydrophobicContact CG1-CB 4.35Å; V38-V98 HydrophobicContact CG1-CG2 3.7Å
39T81.6Confident78.3Confident1 Ų159.9 Ų59.91%0.00633%0.329CS..Hα-helixtrans-62.5-40.3-179.1-52.30000111.9S35 I36 T37 S43 V104 K112 F206S35-T39 WeakPolarHBondContact O-CB 3.46Å; S35-T39 PolarHBondContact O-N 3.35Å; S35-T39 PolarHBondContact O-OG1 3.44Å; I36-T39 PolarHBondContact O-N 2.89Å; T37-T39 PolarHBondContact O-N 2.93Å; T39-S43 PolarHBondContact O-N 2.96Å; T39-S43 PolarHBondContact O-OG 3.4Å; T39-V104 HydrophobicContact CG2-CG2 4.16Å; T39-K112 HydrophobicContact CG2-CD 4.09Å; T39-K112 HydrophobicContact CG2-CG 4.48Å; T39-F206 HydrophobicContact CG2-CE1 4.34Å; T39-F206 HydrophobicContact CG2-CZ 3.76Å
40L79.4Confident78.3Confident71 Ų7160.5 Ų60.537%0.37233%0.33SS..Hα-helixtrans-70.8-44.2177.2-68.9177.6000111.8I36 T37 V38 L42 S43 V109I36-L40 HydrophobicContact CG2-CD1 3.82Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 WeakPolarHBondContact O-CB 3.32Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.35Å; I36-L40 PolarHBondContact O-N 3.43Å; T37-L40 PolarHBondContact O-N 3.19Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 3.04Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.4Å; L40-S43 WeakPolarHBondContact O-CB 3.1Å; L40-S43 PolarHBondContact O-N 3Å; L40-S43 PolarHBondContact O-OG 2.89Å; L40-V109 HydrophobicContact CD2-CG1 4.15Å
41I84.2Confident77.8Confident98 Ų9863 Ų6350%0.50334%0.337SS..Hα-helixtrans-59.9-45176.5-71.1170.6000111T37 V38 S43 V44T37-I41 HydrophobicContact CG2-CD1 3.67Å; T37-I41 HydrophobicContact CG2-CG1 4.36Å; T37-I41 WeakPolarHBondContact O-CB 3.49Å; T37-I41 VanDerWaalsContact O-CG1 3.24Å; T37-I41 WeakPolarHBondContact O-CG1 3.27Å; T37-I41 PolarHBondContact O-N 3.41Å; V38-I41 PolarHBondContact O-N 2.75Å; I41-S43 PolarHBondContact O-N 3.22Å; I41-S43 VanDerWaalsContact O-N 3.13Å; I41-V44 WeakPolarHBondContact O-CB 3.34Å; I41-V44 PolarHBondContact O-N 3.46Å
42L81.4Confident77.3Confident11 Ų1170 Ų706%0.05837%0.369CS..Hα-helixtrans-58.5-27176.8-73.6167.6000112.4V38 L40 V44 L45 Y102 I105V38-L42 HydrophobicContact CG1-CD1 3.72Å; V38-L42 HydrophobicContact CG1-CG 4.38Å; V38-L42 WeakPolarHBondContact O-CB 3.28Å; V38-L42 VanDerWaalsContact O-CG 3.24Å; V38-L42 WeakPolarHBondContact O-CG 3.4Å; V38-L42 PolarHBondContact O-N 3.29Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.4Å; L42-V44 VanDerWaalsContact C-N 3.28Å; L42-V44 PolarHBondContact O-N 3.3Å; L42-L45 HydrophobicContact CD2-CD1 4.16Å; L42-L45 PolarHBondContact O-N 3.48Å; L42-Y102 HydrophobicContact CD1-CD2 4.32Å; L42-Y102 HydrophobicContact CD2-CD1 4.31Å; L42-Y102 HydrophobicContact CD2-CD2 4.16Å; L42-Y102 HydrophobicContact CD2-CE1 3.8Å; L42-Y102 HydrophobicContact CD2-CE2 3.65Å; L42-Y102 HydrophobicContact CD2-CG 4.47Å; L42-Y102 VanDerWaalsContact CD2-CZ 3.44Å; L42-I105 HydrophobicContact CB-CD1 4.46Å; L42-I105 WeakPolarHBondContact O-CG1 3.37Å
43S75.5Confident76.8Confident17 Ų1771.4 Ų71.412%0.11938%0.378CS..Hα-helixtrans-66.9-29.2176.7-530000113.2T39 L40 I41 K49 K112T39-S43 PolarHBondContact O-N 2.96Å; T39-S43 PolarHBondContact O-OG 3.4Å; L40-S43 WeakPolarHBondContact O-CB 3.1Å; L40-S43 PolarHBondContact O-N 3Å; L40-S43 PolarHBondContact O-OG 2.89Å; I41-S43 PolarHBondContact O-N 3.22Å; I41-S43 VanDerWaalsContact O-N 3.13Å; S43-K49 PolarHBondContact O-NZ 2.95Å; S43-K112 WeakPolarHBondContact OG-CD 3.45Å; S43-K112 PolarHBondContact OG-NZ 3.23Å
44V79.6Confident76.3Confident115 Ų11567.7 Ų67.770%0.69736%0.356SS*.Hα-helixtrans-80.5-26.5-178.9-175.40000111.5I41 L42 K46I41-V44 WeakPolarHBondContact O-CB 3.34Å; I41-V44 PolarHBondContact O-N 3.46Å; L42-V44 VanDerWaalsContact C-N 3.28Å; L42-V44 PolarHBondContact O-N 3.3Å; V44-K46 PolarHBondContact O-N 2.67Å
45L77.5Confident75.6Confident68 Ų6867.5 Ų67.536%0.35636%0.355SS..  trans-74.491.2-177.7-71.2175.5000111.9L42 N47 F48L42-L45 HydrophobicContact CD2-CD1 4.16Å; L42-L45 PolarHBondContact O-N 3.48Å; L45-N47 PolarHBondContact O-N 2.86Å; L45-F48 HydrophobicContact CB-CD2 4.11Å; L45-F48 HydrophobicContact CD1-CD2 4.36Å; L45-F48 HydrophobicContact CD2-CD2 4.5Å
46K65.9Low75.1Confident172 Ų17272.9 Ų72.975%0.74838%0.383SS*.G310 helixtrans-63.7-37.2-179.1-67.6-175.1-179.8-179.80113.7V44 F48V44-K46 PolarHBondContact O-N 2.67Å; K46-F48 VanDerWaalsContact C-N 3.27Å; K46-F48 PolarHBondContact O-N 3.42Å
47N65.8Low74.8Confident143 Ų14373.8 Ų73.877%0.76539%0.385SS*.G310 helixtrans-73.5-15.7-171.1-65.9-8.3000114.2L45L45-N47 PolarHBondContact O-N 2.86Å
48F66.7Low74.1Confident76 Ų7670.8 Ų70.833%0.33337%0.367SS..G310 helixtrans-102.913.2-175.4-65.9-84.7000113.5L45 K46 F57 Y102 I105L45-F48 HydrophobicContact CB-CD2 4.11Å; L45-F48 HydrophobicContact CD1-CD2 4.36Å; L45-F48 HydrophobicContact CD2-CD2 4.5Å; K46-F48 VanDerWaalsContact C-N 3.27Å; K46-F48 PolarHBondContact O-N 3.42Å; F48-F57 HydrophobicContact CD1-CD2 4.37Å; F48-F57 AromaticContact CD1-CE2 3.67Å; F48-F57 HydrophobicContact CD1-CE2 3.67Å; F48-F57 HydrophobicContact CD1-CZ 4.27Å; F48-F57 AromaticContact CE1-CE2 3.91Å; F48-F57 HydrophobicContact CE1-CE2 3.91Å; F48-F57 HydrophobicContact CE1-CZ 4.05Å; F48-Y102 HydrophobicContact CB-CE1 3.94Å; F48-I105 HydrophobicContact CB-CD1 4.43Å
49K67.3Low73.4Confident75 Ų7573.1 Ų73.133%0.32638%0.381SS..  trans-85.1-2.8-178-67.5-171.6178.5-174.60114.6S43 I105S43-K49 PolarHBondContact O-NZ 2.95Å; K49-I105 HydrophobicContact CG-CD1 4.15Å; K49-I105 HydrophobicContact CG-CG1 4.17Å
50T73.1Confident72.9Confident75 Ų7574.9 Ų74.946%0.4640%0.396SS..SBendtrans-65.4136.7176.154.60000109.9E52 C53 V54T50-E52 PolarHBondContact O-N 3.4Å; T50-E52 VanDerWaalsContact O-N 3.15Å; T50-C53 PolarHBondContact O-N 3.27Å; T50-C53 VanDerWaalsContact O-N 3.15Å; T50-C53 VanDerWaalsContact OG1-CB 3.29Å; T50-C53 WeakPolarHBondContact OG1-CB 3.2Å; T50-C53 PolarHBondContact OG1-SG 3.15Å; T50-V54 WeakPolarHBondContact O-CG2 3.35Å; T50-V54 PolarHBondContact O-N 3.23Å
51N70Confident72.8Confident104 Ų10474.3 Ų74.356%0.55639%0.39SS*.Hα-helixtrans-56.9-33.8-175.6-71.3-20.1000112.6T55N51-T55 WeakPolarHBondContact O-CB 3.38Å; N51-T55 PolarHBondContact O-N 3.47Å; N51-T55 PolarHBondContact O-OG1 3.27Å
52E72.3Confident72.1Confident151 Ų15170.6 Ų70.671%0.70637%0.372SS*.Hα-helixtrans-65.9-50.8177.1-65.3179.5175.500111.8T50 V54 T55 I56T50-E52 PolarHBondContact O-N 3.4Å; T50-E52 VanDerWaalsContact O-N 3.15Å; E52-V54 VanDerWaalsContact C-N 3.32Å; E52-V54 PolarHBondContact O-N 3.2Å; E52-T55 PolarHBondContact O-N 3.29Å; E52-I56 VanDerWaalsContact O-CG1 3.29Å; E52-I56 WeakPolarHBondContact O-CG1 2.9Å; E52-I56 PolarHBondContact O-N 3.01Å
53C70.7Confident71.6Confident39 Ų3975.4 Ų75.426%0.26440%0.397SS..Hα-helixtrans-60-44.9176.6-69.30000110.9T50 T55 I56 F57T50-C53 PolarHBondContact O-N 3.27Å; T50-C53 VanDerWaalsContact O-N 3.15Å; T50-C53 VanDerWaalsContact OG1-CB 3.29Å; T50-C53 WeakPolarHBondContact OG1-CB 3.2Å; T50-C53 PolarHBondContact OG1-SG 3.15Å; C53-T55 VanDerWaalsContact C-N 3.3Å; C53-T55 PolarHBondContact O-N 3.18Å; C53-I56 PolarHBondContact O-N 2.99Å; C53-F57 HydrophobicContact CB-CD2 4.09Å; C53-F57 HydrophobicContact CB-CE2 4.07Å; C53-F57 WeakPolarHBondContact O-CB 3.42Å; C53-F57 WeakPolarHBondContact O-CD2 3.31Å; C53-F57 PolarHBondContact O-N 3.15Å
54V73Confident71.5Confident9 Ų978.4 Ų78.46%0.05541%0.41CS..Hα-helixtrans-55.5-48.3176.81720000110.8T50 E52 T58 Y102 I105T50-V54 WeakPolarHBondContact O-CG2 3.35Å; T50-V54 PolarHBondContact O-N 3.23Å; E52-V54 VanDerWaalsContact C-N 3.32Å; E52-V54 PolarHBondContact O-N 3.2Å; V54-T58 WeakPolarHBondContact O-CB 3.39Å; V54-T58 PolarHBondContact O-N 2.99Å; V54-T58 PolarHBondContact O-OG1 3.16Å; V54-Y102 VanDerWaalsContact CG1-O 3.28Å; V54-Y102 WeakPolarHBondContact CG1-O 3.44Å; V54-Y102 HydrophobicContact CG2-CD1 4.45Å; V54-I105 HydrophobicContact CG2-CG2 3.42Å; V54-I105 VanDerWaalsContact CG2-CG2 3.42Å
55T70.6Confident71Confident53 Ų5372.9 Ų72.933%0.32538%0.377SS..Hα-helixtrans-64.4-48.9-178.7-52.80000111N51 E52 C53 T58 V59N51-T55 WeakPolarHBondContact O-CB 3.38Å; N51-T55 PolarHBondContact O-N 3.47Å; N51-T55 PolarHBondContact O-OG1 3.27Å; E52-T55 PolarHBondContact O-N 3.29Å; C53-T55 VanDerWaalsContact C-N 3.3Å; C53-T55 PolarHBondContact O-N 3.18Å; T55-T58 PolarHBondContact O-N 3.45Å; T55-V59 HydrophobicContact CG2-CG2 4.42Å; T55-V59 WeakPolarHBondContact O-CB 3.47Å; T55-V59 VanDerWaalsContact O-CG2 3.27Å; T55-V59 WeakPolarHBondContact O-CG2 3.5Å; T55-V59 PolarHBondContact O-N 2.93Å
56I73.9Confident70.5Confident112 Ų11271.7 Ų71.757%0.57437%0.372SS*.Hα-helixtrans-61.1-51.2-178.2-67.2166.3000111E52 C53 V59 A60E52-I56 VanDerWaalsContact O-CG1 3.29Å; E52-I56 WeakPolarHBondContact O-CG1 2.9Å; E52-I56 PolarHBondContact O-N 3.01Å; C53-I56 PolarHBondContact O-N 2.99Å; I56-V59 PolarHBondContact O-N 3.42Å; I56-A60 VanDerWaalsContact O-CB 3.28Å; I56-A60 WeakPolarHBondContact O-CB 3.17Å; I56-A60 PolarHBondContact O-N 3.39Å
57F73.8Confident70.6Confident64 Ų6469.3 Ų69.328%0.28136%0.362SS..Hα-helixtrans-64.7-42.9-179.7-74-62.4000111.3F48 C53 V59 A60 F61 Y102F48-F57 HydrophobicContact CD1-CD2 4.37Å; F48-F57 AromaticContact CD1-CE2 3.67Å; F48-F57 HydrophobicContact CD1-CE2 3.67Å; F48-F57 HydrophobicContact CD1-CZ 4.27Å; F48-F57 AromaticContact CE1-CE2 3.91Å; F48-F57 HydrophobicContact CE1-CE2 3.91Å; F48-F57 HydrophobicContact CE1-CZ 4.05Å; C53-F57 HydrophobicContact CB-CD2 4.09Å; C53-F57 HydrophobicContact CB-CE2 4.07Å; C53-F57 WeakPolarHBondContact O-CB 3.42Å; C53-F57 WeakPolarHBondContact O-CD2 3.31Å; C53-F57 PolarHBondContact O-N 3.15Å; F57-V59 PolarHBondContact O-N 2.96Å; F57-A60 PolarHBondContact O-N 2.97Å; F57-F61 HydrophobicContact CB-CD2 4.42Å; F57-F61 HydrophobicContact CD1-CD2 4.47Å; F57-F61 HydrophobicContact CD1-CE2 4.07Å; F57-F61 WeakPolarHBondContact O-CB 3.45Å; F57-F61 VanDerWaalsContact O-CD2 3.28Å; F57-F61 WeakPolarHBondContact O-CD2 3.41Å; F57-F61 PolarHBondContact O-N 3.18Å; F57-Y102 HydrophobicContact CB-CD2 3.75Å; F57-Y102 HydrophobicContact CB-CE2 3.73Å; F57-Y102 HydrophobicContact CB-CG 4.18Å; F57-Y102 HydrophobicContact CD2-CE1 4.32Å; F57-Y102 HydrophobicContact CD2-CE2 4.47Å; F57-Y102 HydrophobicContact CG-CE2 4.06Å
58T69.8Low70.9Confident4 Ų463.6 Ų63.63%0.02533%0.332CS..Hα-helixtrans-59.5-48.7178.7-58.80000111.5V54 T55 T62 A99 Y102 I172V54-T58 WeakPolarHBondContact O-CB 3.39Å; V54-T58 PolarHBondContact O-N 2.99Å; V54-T58 PolarHBondContact O-OG1 3.16Å; T55-T58 PolarHBondContact O-N 3.45Å; T58-T62 VanDerWaalsContact O-CB 3.3Å; T58-T62 WeakPolarHBondContact O-CB 3.2Å; T58-T62 PolarHBondContact O-N 3.23Å; T58-T62 PolarHBondContact O-OG1 3.35Å; T58-A99 WeakPolarHBondContact CG2-O 3.4Å; T58-Y102 VanDerWaalsContact OG1-CB 3.31Å; T58-Y102 WeakPolarHBondContact OG1-CB 3.29Å; T58-I172 HydrophobicContact CG2-CG2 3.67Å
59V69.6Low70.8Confident78 Ų7860 Ų6047%0.47332%0.316SS..Hα-helixtrans-64.4-47.9179.6172.70000110.9T55 I56 F57 F61 T62 I63T55-V59 HydrophobicContact CG2-CG2 4.42Å; T55-V59 WeakPolarHBondContact O-CB 3.47Å; T55-V59 VanDerWaalsContact O-CG2 3.27Å; T55-V59 WeakPolarHBondContact O-CG2 3.5Å; T55-V59 PolarHBondContact O-N 2.93Å; I56-V59 PolarHBondContact O-N 3.42Å; F57-V59 PolarHBondContact O-N 2.96Å; V59-F61 PolarHBondContact O-N 3.45Å; V59-T62 PolarHBondContact O-N 2.92Å; V59-I63 HydrophobicContact CG1-CD1 3.83Å; V59-I63 HydrophobicContact CG1-CG1 4.47Å; V59-I63 WeakPolarHBondContact O-CG1 3.35Å; V59-I63 PolarHBondContact O-N 2.95Å
60A71.8Confident70.7Confident38 Ų3860.3 Ų60.331%0.31432%0.32SS..Hα-helixtrans-60.2-49.1-178.500000112.3I56 F57 T62 I63 I64I56-A60 VanDerWaalsContact O-CB 3.28Å; I56-A60 WeakPolarHBondContact O-CB 3.17Å; I56-A60 PolarHBondContact O-N 3.39Å; F57-A60 PolarHBondContact O-N 2.97Å; A60-T62 VanDerWaalsContact C-N 3.3Å; A60-T62 PolarHBondContact O-N 3.26Å; A60-I63 PolarHBondContact O-N 2.64Å; A60-I64 VanDerWaalsContact O-CG1 3.28Å; A60-I64 WeakPolarHBondContact O-CG1 3.36Å; A60-I64 PolarHBondContact O-N 3.03Å
61F75.5Confident70.3Confident59 Ų5959.4 Ų59.426%0.25931%0.311SS..Hα-helixtrans-69.1-28.4178.9-83-77.4000112.8F57 V59 G65 C95 V98 A99F57-F61 HydrophobicContact CB-CD2 4.42Å; F57-F61 HydrophobicContact CD1-CD2 4.47Å; F57-F61 HydrophobicContact CD1-CE2 4.07Å; F57-F61 WeakPolarHBondContact O-CB 3.45Å; F57-F61 VanDerWaalsContact O-CD2 3.28Å; F57-F61 WeakPolarHBondContact O-CD2 3.41Å; F57-F61 PolarHBondContact O-N 3.18Å; V59-F61 PolarHBondContact O-N 3.45Å; F61-G65 PolarHBondContact O-N 3.05Å; F61-C95 HydrophobicContact CD1-CB 4.1Å; F61-V98 HydrophobicContact CD1-CB 4.11Å; F61-V98 HydrophobicContact CD1-CG1 4.12Å; F61-V98 HydrophobicContact CD2-CB 4.35Å; F61-V98 HydrophobicContact CD2-CG1 3.54Å; F61-V98 HydrophobicContact CE1-CB 4.34Å; F61-V98 HydrophobicContact CE1-CG1 4.18Å; F61-V98 HydrophobicContact CE2-CG1 3.62Å; F61-V98 HydrophobicContact CG-CB 4.12Å; F61-V98 HydrophobicContact CG-CG1 3.81Å; F61-V98 HydrophobicContact CZ-CG1 3.95Å; F61-A99 HydrophobicContact CB-CB 3.84Å
62T70.6Confident70.2Confident20 Ų2054.8 Ų54.812%0.12329%0.286CS..Hα-helixtrans-67.1-45.9171.8-56.80000110.7T58 V59 A60 I64 G65 T66 A99T58-T62 VanDerWaalsContact O-CB 3.3Å; T58-T62 WeakPolarHBondContact O-CB 3.2Å; T58-T62 PolarHBondContact O-N 3.23Å; T58-T62 PolarHBondContact O-OG1 3.35Å; V59-T62 PolarHBondContact O-N 2.92Å; A60-T62 VanDerWaalsContact C-N 3.3Å; A60-T62 PolarHBondContact O-N 3.26Å; T62-I64 PolarHBondContact O-N 2.71Å; T62-G65 PolarHBondContact O-N 3.02Å; T62-T66 WeakPolarHBondContact O-CB 3.38Å; T62-T66 PolarHBondContact O-N 3.4Å; T62-T66 PolarHBondContact O-OG1 3.48Å; T62-A99 WeakPolarHBondContact OG1-CB 3.46Å
63I70.6Confident69.7Low112 Ų11249.5 Ų49.557%0.57426%0.264SS*.Hα-helixtrans-59.5-47.6176.7-67.3166.4000110.5V59 A60 T66 F67V59-I63 HydrophobicContact CG1-CD1 3.83Å; V59-I63 HydrophobicContact CG1-CG1 4.47Å; V59-I63 WeakPolarHBondContact O-CG1 3.35Å; V59-I63 PolarHBondContact O-N 2.95Å; A60-I63 PolarHBondContact O-N 2.64Å; I63-T66 PolarHBondContact O-N 3.34Å; I63-F67 WeakPolarHBondContact O-CB 2.98Å; I63-F67 PolarHBondContact O-N 3.27Å
64I73.3Confident69.4Low79 Ų7952.9 Ų52.941%0.40528%0.278SS..Hα-helixtrans-62.7-45.2178.3-64.8164.8000110.6A60 T62 F67 L68 C95A60-I64 VanDerWaalsContact O-CG1 3.28Å; A60-I64 WeakPolarHBondContact O-CG1 3.36Å; A60-I64 PolarHBondContact O-N 3.03Å; T62-I64 PolarHBondContact O-N 2.71Å; I64-F67 PolarHBondContact O-N 3.07Å; I64-L68 HydrophobicContact CG2-CD1 4.04Å; I64-L68 HydrophobicContact CG2-CG 4.49Å; I64-L68 WeakPolarHBondContact O-CG 3.47Å; I64-L68 PolarHBondContact O-N 3.09Å; I64-C95 HydrophobicContact CG2-CB 4.42Å
65G70.2Confident68.8Low0 Ų055.2 Ų55.20%029%0.29CS..Hα-helixtrans-59.2-53.5176.900000111.5F61 T62 F67 L68 G69 Y92F61-G65 PolarHBondContact O-N 3.05Å; T62-G65 PolarHBondContact O-N 3.02Å; G65-F67 VanDerWaalsContact C-N 3.28Å; G65-F67 PolarHBondContact O-N 3.01Å; G65-L68 PolarHBondContact O-N 3.14Å; G65-L68 VanDerWaalsContact O-N 3.11Å; G65-G69 PolarHBondContact O-N 3.44Å; G65-Y92 WeakPolarHBondContact O-CD2 3.28Å; G65-Y92 WeakPolarHBondContact O-CE2 3.31Å
66T67Low68.2Low42 Ų4259.5 Ų59.526%0.25830%0.3SS..Hα-helixtrans-57.7-41.7177.8-57.30000111.6T62 I63 G69 M70T62-T66 WeakPolarHBondContact O-CB 3.38Å; T62-T66 PolarHBondContact O-N 3.4Å; T62-T66 PolarHBondContact O-OG1 3.48Å; I63-T66 PolarHBondContact O-N 3.34Å; T66-G69 PolarHBondContact O-N 2.9Å; T66-M70 HydrophobicContact CG2-CG 4.41Å; T66-M70 WeakPolarHBondContact O-CB 3.28Å; T66-M70 VanDerWaalsContact O-CG 3.29Å; T66-M70 WeakPolarHBondContact O-CG 3.46Å; T66-M70 PolarHBondContact O-N 3.46Å
67F68.1Low67.1Low122 Ų12263.7 Ų63.754%0.53532%0.315SS..Hα-helixtrans-60-47.3174.9178.9-96.9000112.2I63 I64 G65 G69 M70 M71I63-F67 WeakPolarHBondContact O-CB 2.98Å; I63-F67 PolarHBondContact O-N 3.27Å; I64-F67 PolarHBondContact O-N 3.07Å; G65-F67 VanDerWaalsContact C-N 3.28Å; G65-F67 PolarHBondContact O-N 3.01Å; F67-G69 VanDerWaalsContact C-N 3.33Å; F67-G69 PolarHBondContact O-N 2.95Å; F67-M70 PolarHBondContact O-N 2.87Å; F67-M71 HydrophobicContact CD1-CG 4.23Å; F67-M71 HydrophobicContact CD2-CE 4.32Å; F67-M71 HydrophobicContact CE1-CE 4.35Å; F67-M71 HydrophobicContact CE1-CG 3.88Å; F67-M71 HydrophobicContact CE2-CE 3.5Å; F67-M71 HydrophobicContact CE2-CG 4.45Å; F67-M71 HydrophobicContact CZ-CE 3.53Å; F67-M71 HydrophobicContact CZ-CG 4.01Å; F67-M71 HydrophobicContact CZ-SD 4.39Å; F67-M71 WeakPolarHBondContact O-CB 3.22Å; F67-M71 VanDerWaalsContact O-CG 3.3Å; F67-M71 WeakPolarHBondContact O-CG 3.34Å; F67-M71 PolarHBondContact O-N 3.5Å
68L71.2Confident65.9Low23 Ų2364.8 Ų64.812%0.1232%0.322CS..Hα-helixtrans-62.8-38.8176.5-70.2171.1000112.1I64 G65 M71 L72 M88 L91 Y92I64-L68 HydrophobicContact CG2-CD1 4.04Å; I64-L68 HydrophobicContact CG2-CG 4.49Å; I64-L68 WeakPolarHBondContact O-CG 3.47Å; I64-L68 PolarHBondContact O-N 3.09Å; G65-L68 PolarHBondContact O-N 3.14Å; G65-L68 VanDerWaalsContact O-N 3.11Å; L68-M71 PolarHBondContact O-N 2.99Å; L68-L72 WeakPolarHBondContact O-CG 3.31Å; L68-L72 PolarHBondContact O-N 2.95Å; L68-M88 HydrophobicContact CD2-SD 3.89Å; L68-L91 HydrophobicContact CD1-CB 4.02Å; L68-Y92 HydrophobicContact CB-CD2 4.25Å
69G63.6Low64.9Low0 Ų065.4 Ų65.40%032%0.324CS..Hα-helixtrans-65.2-44.3176.300000112G65 T66 F67 M71 L72 V73G65-G69 PolarHBondContact O-N 3.44Å; T66-G69 PolarHBondContact O-N 2.9Å; F67-G69 VanDerWaalsContact C-N 3.33Å; F67-G69 PolarHBondContact O-N 2.95Å; G69-M71 VanDerWaalsContact C-N 3.35Å; G69-M71 PolarHBondContact O-N 2.85Å; G69-L72 WeakPolarHBondContact O-CB 3.42Å; G69-L72 PolarHBondContact O-N 3.32Å; G69-V73 WeakPolarHBondContact O-CG2 3.27Å; G69-V73 PolarHBondContact O-N 3.28Å
70M65.1Low63.9Low83 Ų8370.4 Ų70.441%0.40934%0.341SS..Hα-helixtrans-63.1-41.2173.5-72.1-60.6-63.500111.6T66 F67 L72 V73 I74 L183T66-M70 HydrophobicContact CG2-CG 4.41Å; T66-M70 WeakPolarHBondContact O-CB 3.28Å; T66-M70 VanDerWaalsContact O-CG 3.29Å; T66-M70 WeakPolarHBondContact O-CG 3.46Å; T66-M70 PolarHBondContact O-N 3.46Å; F67-M70 PolarHBondContact O-N 2.87Å; M70-L72 VanDerWaalsContact C-N 3.32Å; M70-L72 PolarHBondContact O-N 2.82Å; M70-V73 PolarHBondContact O-N 3.32Å; M70-I74 HydrophobicContact CB-CD1 4.47Å; M70-I74 HydrophobicContact CE-CD1 4.14Å; M70-I74 WeakPolarHBondContact O-CB 3.24Å; M70-I74 VanDerWaalsContact O-CG1 3.25Å; M70-I74 WeakPolarHBondContact O-CG1 3.42Å; M70-I74 PolarHBondContact O-N 3.41Å; M70-L183 HydrophobicContact SD-CD2 3.95Å
71M66.5Low62.8Low56 Ų5673.3 Ų73.328%0.27636%0.356SS..Hα-helixtrans-61.5-40.9174.5-75.1-63.4149.100111.6F67 L68 G69 V73 L75F67-M71 HydrophobicContact CD1-CG 4.23Å; F67-M71 HydrophobicContact CD2-CE 4.32Å; F67-M71 HydrophobicContact CE1-CE 4.35Å; F67-M71 HydrophobicContact CE1-CG 3.88Å; F67-M71 HydrophobicContact CE2-CE 3.5Å; F67-M71 HydrophobicContact CE2-CG 4.45Å; F67-M71 HydrophobicContact CZ-CE 3.53Å; F67-M71 HydrophobicContact CZ-CG 4.01Å; F67-M71 HydrophobicContact CZ-SD 4.39Å; F67-M71 WeakPolarHBondContact O-CB 3.22Å; F67-M71 VanDerWaalsContact O-CG 3.3Å; F67-M71 WeakPolarHBondContact O-CG 3.34Å; F67-M71 PolarHBondContact O-N 3.5Å; L68-M71 PolarHBondContact O-N 2.99Å; G69-M71 VanDerWaalsContact C-N 3.35Å; G69-M71 PolarHBondContact O-N 2.85Å; M71-V73 PolarHBondContact O-N 2.72Å; M71-L75 HydrophobicContact CB-CD1 4.2Å; M71-L75 WeakPolarHBondContact O-CB 3.5Å; M71-L75 WeakPolarHBondContact O-CG 3.23Å; M71-L75 PolarHBondContact O-N 2.83Å; M71-L75 HydrophobicContact SD-CD1 4.34Å
72L66Low61.7Low7 Ų777.6 Ų77.64%0.03737%0.371CS..Hα-helixtrans-56.9-51.1172.4-78.3167.4000110.6L68 G69 M70 R79 N85 M88 L89 L196L68-L72 WeakPolarHBondContact O-CG 3.31Å; L68-L72 PolarHBondContact O-N 2.95Å; G69-L72 WeakPolarHBondContact O-CB 3.42Å; G69-L72 PolarHBondContact O-N 3.32Å; M70-L72 VanDerWaalsContact C-N 3.32Å; M70-L72 PolarHBondContact O-N 2.82Å; L72-R79 VanDerWaalsContact C-NH2 3.28Å; L72-R79 PolarHBondContact O-NH2 2.99Å; L72-N85 HydrophobicContact CD2-CB 4.43Å; L72-M88 HydrophobicContact CD1-CB 4.49Å; L72-M88 HydrophobicContact CD2-CB 3.53Å; L72-M88 HydrophobicContact CG-CB 3.98Å; L72-L89 HydrophobicContact CD1-CB 4.33Å; L72-L89 HydrophobicContact CD1-CD1 4.36Å; L72-L196 HydrophobicContact CD1-CD1 4.39Å; L72-L196 HydrophobicContact CD1-CD2 4.35Å
73V63.6Low61.3Low40 Ų4080.9 Ų80.924%0.24239%0.393CS..Hα-helixtrans-63.1-44.9-178.1175.70000112.3G69 M70 M71 L183G69-V73 WeakPolarHBondContact O-CG2 3.27Å; G69-V73 PolarHBondContact O-N 3.28Å; M70-V73 PolarHBondContact O-N 3.32Å; M71-V73 PolarHBondContact O-N 2.72Å; V73-L183 HydrophobicContact CG2-CD2 3.86Å
74I63.2Low60.9Low109 Ų10978.6 Ų78.656%0.55938%0.381SS*.Hα-helixtrans-74-39.1-176-65.7167.1000111.6M70 R76M70-I74 HydrophobicContact CB-CD1 4.47Å; M70-I74 HydrophobicContact CE-CD1 4.14Å; M70-I74 WeakPolarHBondContact O-CB 3.24Å; M70-I74 VanDerWaalsContact O-CG1 3.25Å; M70-I74 WeakPolarHBondContact O-CG1 3.42Å; M70-I74 PolarHBondContact O-N 3.41Å; I74-R76 PolarHBondContact O-N 3.33Å
75L61.4Low60.7Low58 Ų5875.2 Ų75.230%0.30436%0.364SS..G310 helixtrans-77.835.5-178.1-62.9172.4000113.1M71 K77 M78 R79M71-L75 HydrophobicContact CB-CD1 4.2Å; M71-L75 WeakPolarHBondContact O-CB 3.5Å; M71-L75 WeakPolarHBondContact O-CG 3.23Å; M71-L75 PolarHBondContact O-N 2.83Å; M71-L75 HydrophobicContact SD-CD1 4.34Å; L75-K77 PolarHBondContact O-N 3.33Å; L75-M78 HydrophobicContact CB-CB 4.34Å; L75-M78 HydrophobicContact CB-CG 4.43Å; L75-M78 HydrophobicContact CD2-CG 4.24Å; L75-M78 PolarHBondContact O-N 2.98Å; L75-R79 PolarHBondContact O-N 2.72Å
76R57.8Low60.8Low143 Ų14377.8 Ų77.854%0.5438%0.377SS..G310 helixtrans-50.9-31.5174-167.3174.8177.1-175.2-3.8112.2I74 R79 N188I74-R76 PolarHBondContact O-N 3.33Å; R76-R79 WeakPolarHBondContact O-CB 3.38Å; R76-R79 PolarHBondContact O-N 2.84Å; R76-N188 PolarHBondContact NE-ND2 2.94Å; R76-N188 PolarHBondContact NH1-ND2 3.42Å; R76-N188 PolarHBondContact NH2-OD1 3.27Å
77K49.7Very low61.2Low201 Ų20180.2 Ų80.287%0.87439%0.388SS*.G310 helixtrans-78.4-21.5-179.2-141.8175.8-173.5179.50114.9L75 R79L75-K77 PolarHBondContact O-N 3.33Å; K77-R79 VanDerWaalsContact C-N 3.28Å
78M49.1Very low61.5Low87 Ų8776.6 Ų76.643%0.42937%0.373SS..G310 helixtrans-86.6-7.9173.2-64.3-72.1-82.400111.7L75 E80L75-M78 HydrophobicContact CB-CB 4.34Å; L75-M78 HydrophobicContact CB-CG 4.43Å; L75-M78 HydrophobicContact CD2-CG 4.24Å; L75-M78 PolarHBondContact O-N 2.98Å; M78-E80 PolarHBondContact O-N 3.46Å
79R50.2Low61.9Low17 Ų1775.5 Ų75.56%0.06437%0.368CS..THydrogen-bonded Turntrans-77.2-24.6-162.5-158.4179.2-88.3-162.4-11113.6L72 L75 R76 K77 N85 D190 I193L72-R79 VanDerWaalsContact C-NH2 3.28Å; L72-R79 PolarHBondContact O-NH2 2.99Å; L75-R79 PolarHBondContact O-N 2.72Å; R76-R79 WeakPolarHBondContact O-CB 3.38Å; R76-R79 PolarHBondContact O-N 2.84Å; K77-R79 VanDerWaalsContact C-N 3.28Å; R79-N85 WeakPolarHBondContact CA-ND2 3.48Å; R79-N85 WeakPolarHBondContact CA-OD1 3.15Å; R79-N85 HydrophobicContact CG-CB 4.41Å; R79-N85 VanDerWaalsContact CG-CG 3.43Å; R79-N85 WeakPolarHBondContact CG-ND2 3.42Å; R79-N85 PolarHBondContact O-ND2 3.43Å; R79-D190 WeakPolarHBondContact CD-OD2 3.45Å; R79-D190 IonicContact CZ-OD2 3.63Å; R79-D190 IonicContact NE-OD2 3.76Å; R79-D190 IonicContact NH1-OD2 2.68Å; R79-D190 PolarHBondContact NH1-OD2 2.85Å; R79-I193 VanDerWaalsContact NH2-CD1 3.31Å
80E48.4Very low62.8Low182 Ų18279.6 Ų79.685%0.8539%0.388SS*.THydrogen-bonded Turntrans-85.5-15.7-177.5-65.8-178.5169.400113.5M78M78-E80 PolarHBondContact O-N 3.46Å
81T48.1Very low63.7Low100 Ų10079.6 Ų79.661%0.61339%0.39SS*.THydrogen-bonded Turntrans-113.4-22.4-163.6-24.50000114.6
82Y52.2Low64.3Low148 Ų14877.1 Ų77.158%0.5838%0.377SS*.  trans-136.8149-172.2-70.8-79.5000113.7L84Y82-L84 PolarHBondContact O-N 3.46Å
83P61.8Low65.1Low90 Ų9076.8 Ų76.858%0.58438%0.375SS*.THydrogen-bonded Turntrans-64.2217130.1-36.6000113.3N85 I86 I87P83-N85 PolarHBondContact O-N 3.34Å; P83-N85 VanDerWaalsContact O-N 3.15Å; P83-I86 PolarHBondContact O-N 3.33Å; P83-I87 PolarHBondContact O-N 2.65Å
84L62.4Low66Low63 Ų6376.5 Ų76.533%0.3338%0.378SS..Hα-helixtrans-53.5-33.7-179.9-160.478000112.2Y82 I86 I87 M88Y82-L84 PolarHBondContact O-N 3.46Å; L84-I86 VanDerWaalsContact C-N 3.34Å; L84-I86 PolarHBondContact O-N 3Å; L84-I87 PolarHBondContact O-N 2.9Å; L84-M88 HydrophobicContact CG-CG 4.35Å; L84-M88 VanDerWaalsContact O-CB 3.32Å; L84-M88 WeakPolarHBondContact O-CB 3.48Å; L84-M88 VanDerWaalsContact O-CG 3.23Å; L84-M88 WeakPolarHBondContact O-CG 3.29Å; L84-M88 PolarHBondContact O-N 2.89Å
85N69.6Low66.9Low9 Ų972.2 Ų72.25%0.04836%0.357CS..Hα-helixtrans-66.5-37179.6-46.5-44.7000112.5L72 R79 P83 L89 C192L72-N85 HydrophobicContact CD2-CB 4.43Å; R79-N85 WeakPolarHBondContact CA-ND2 3.48Å; R79-N85 WeakPolarHBondContact CA-OD1 3.15Å; R79-N85 HydrophobicContact CG-CB 4.41Å; R79-N85 VanDerWaalsContact CG-CG 3.43Å; R79-N85 WeakPolarHBondContact CG-ND2 3.42Å; R79-N85 PolarHBondContact O-ND2 3.43Å; P83-N85 PolarHBondContact O-N 3.34Å; P83-N85 VanDerWaalsContact O-N 3.15Å; N85-L89 WeakPolarHBondContact O-CB 3.24Å; N85-L89 PolarHBondContact O-N 3.31Å; N85-C192 HydrophobicContact CB-CB 4.48Å
86I72.1Confident67.8Low53 Ų5369.9 Ų69.927%0.27235%0.345SS..Hα-helixtrans-70.2-42.5178.9-61176.2000108.8L27 P83 L84 L89 I90 Y191L27-I86 HydrophobicContact CD2-CG2 4.13Å; P83-I86 PolarHBondContact O-N 3.33Å; L84-I86 VanDerWaalsContact C-N 3.34Å; L84-I86 PolarHBondContact O-N 3Å; I86-L89 PolarHBondContact O-N 3.5Å; I86-I90 HydrophobicContact CG2-CD1 3.89Å; I86-I90 HydrophobicContact CG2-CG1 4.48Å; I86-I90 VanDerWaalsContact O-CG1 3.26Å; I86-I90 WeakPolarHBondContact O-CG1 3.33Å; I86-I90 PolarHBondContact O-N 2.72Å; I86-Y191 HydrophobicContact CD1-CE2 4.43Å; I86-Y191 HydrophobicContact CG1-CE2 4.38Å
87I75.3Confident69Low93 Ų9363 Ų6348%0.47732%0.319SS..Hα-helixtrans-61.5-48.5176.3-61173.1000110.5P83 L84 L89 I90 L91P83-I87 PolarHBondContact O-N 2.65Å; L84-I87 PolarHBondContact O-N 2.9Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.17Å; I87-I90 PolarHBondContact O-N 3.22Å; I87-L91 HydrophobicContact CG2-CD1 4.1Å; I87-L91 HydrophobicContact CG2-CG 4.48Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.38Å
88M75.4Confident70.5Confident46 Ų4654.8 Ų54.823%0.22729%0.285CS..Hα-helixtrans-61.5-39177.2-74.6-67.9-157.800112L68 L72 L84 L91 Y92L68-M88 HydrophobicContact CD2-SD 3.89Å; L72-M88 HydrophobicContact CD1-CB 4.49Å; L72-M88 HydrophobicContact CD2-CB 3.53Å; L72-M88 HydrophobicContact CG-CB 3.98Å; L84-M88 HydrophobicContact CG-CG 4.35Å; L84-M88 VanDerWaalsContact O-CB 3.32Å; L84-M88 WeakPolarHBondContact O-CB 3.48Å; L84-M88 VanDerWaalsContact O-CG 3.23Å; L84-M88 WeakPolarHBondContact O-CG 3.29Å; L84-M88 PolarHBondContact O-N 2.89Å; M88-L91 PolarHBondContact O-N 2.88Å; M88-Y92 VanDerWaalsContact O-CB 3.31Å; M88-Y92 WeakPolarHBondContact O-CB 3.49Å; M88-Y92 PolarHBondContact O-N 2.86Å
89L79.6Confident71.8Confident1 Ų150.6 Ų50.61%0.00527%0.265CS..Hα-helixtrans-64.6-41.7174.917964.2000112.1L27 L31 L72 N85 I86 I87 Y92 G93 C192 A195 L196L27-L89 HydrophobicContact CB-CD2 4.48Å; L27-L89 HydrophobicContact CD1-CD2 4.2Å; L31-L89 HydrophobicContact CD1-CD1 4.12Å; L31-L89 HydrophobicContact CD1-CD2 4.25Å; L31-L89 HydrophobicContact CD1-CG 3.97Å; L72-L89 HydrophobicContact CD1-CB 4.33Å; L72-L89 HydrophobicContact CD1-CD1 4.36Å; N85-L89 WeakPolarHBondContact O-CB 3.24Å; N85-L89 PolarHBondContact O-N 3.31Å; I86-L89 PolarHBondContact O-N 3.5Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.17Å; L89-Y92 WeakPolarHBondContact O-CB 3.39Å; L89-G93 PolarHBondContact O-N 2.81Å; L89-C192 HydrophobicContact CD2-CB 4.25Å; L89-A195 HydrophobicContact CD2-CB 4.06Å; L89-L196 HydrophobicContact CD1-CB 3.75Å; L89-L196 HydrophobicContact CD1-CD1 3.67Å; L89-L196 HydrophobicContact CD1-CG 4.33Å
90I82.3Confident73.2Confident85 Ų8550 Ų5044%0.43626%0.263SS..Hα-helixtrans-65.6-43.3175.8-68.5165.9000110.6L31 I86 I87 G93 A94L31-I90 HydrophobicContact CD2-CG1 4.48Å; I86-I90 HydrophobicContact CG2-CD1 3.89Å; I86-I90 HydrophobicContact CG2-CG1 4.48Å; I86-I90 VanDerWaalsContact O-CG1 3.26Å; I86-I90 WeakPolarHBondContact O-CG1 3.33Å; I86-I90 PolarHBondContact O-N 2.72Å; I87-I90 PolarHBondContact O-N 3.22Å; I90-G93 PolarHBondContact O-N 2.92Å; I90-A94 WeakPolarHBondContact O-CB 3.41Å; I90-A94 PolarHBondContact O-N 3.46Å
91L82.6Confident74.6Confident83 Ų8341.4 Ų41.444%0.43522%0.222SC..Hα-helixtrans-62.8-46.5176.5-73172.7000111.5L68 I87 M88 G93 A94 C95L68-L91 HydrophobicContact CD1-CB 4.02Å; I87-L91 HydrophobicContact CG2-CD1 4.1Å; I87-L91 HydrophobicContact CG2-CG 4.48Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.38Å; M88-L91 PolarHBondContact O-N 2.88Å; L91-G93 VanDerWaalsContact C-N 3.29Å; L91-G93 PolarHBondContact O-N 3.44Å; L91-A94 PolarHBondContact O-N 3Å; L91-C95 WeakPolarHBondContact O-CB 3.07Å; L91-C95 PolarHBondContact O-N 3.45Å; L91-C95 PolarHBondContact O-SG 2.93Å
92Y80.9Confident76Confident4 Ų437.3 Ų37.32%0.01620%0.196CC..Hα-helixtrans-52.4-52.7171.6172.7-87.6000110.3G65 L68 M88 L89 A94 C95 I96 L196 T200G65-Y92 WeakPolarHBondContact O-CD2 3.28Å; G65-Y92 WeakPolarHBondContact O-CE2 3.31Å; L68-Y92 HydrophobicContact CB-CD2 4.25Å; M88-Y92 VanDerWaalsContact O-CB 3.31Å; M88-Y92 WeakPolarHBondContact O-CB 3.49Å; M88-Y92 PolarHBondContact O-N 2.86Å; L89-Y92 WeakPolarHBondContact O-CB 3.39Å; Y92-A94 VanDerWaalsContact C-N 3.33Å; Y92-A94 PolarHBondContact O-N 3.3Å; Y92-C95 PolarHBondContact O-N 2.85Å; Y92-I96 HydrophobicContact CD1-CG2 4.17Å; Y92-I96 HydrophobicContact CE1-CB 4.3Å; Y92-I96 HydrophobicContact CE1-CG2 3.76Å; Y92-I96 WeakPolarHBondContact O-CG2 3.31Å; Y92-I96 PolarHBondContact O-N 3.42Å; Y92-L196 HydrophobicContact CD1-CD1 3.16Å; Y92-L196 HydrophobicContact CD2-CD1 4.19Å; Y92-L196 HydrophobicContact CE1-CD1 3.19Å; Y92-L196 HydrophobicContact CE1-CG 4.43Å; Y92-L196 HydrophobicContact CE2-CD1 4.21Å; Y92-L196 HydrophobicContact CG-CD1 3.72Å; Y92-T200 HydrophobicContact CE1-CG2 3.75Å; Y92-T200 WeakPolarHBondContact OH-CG2 3.46Å
93G81.4Confident76.9Confident0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-60.2-41.8-176.900000113L89 I90 L91 S97L89-G93 PolarHBondContact O-N 2.81Å; I90-G93 PolarHBondContact O-N 2.92Å; L91-G93 VanDerWaalsContact C-N 3.29Å; L91-G93 PolarHBondContact O-N 3.44Å; G93-S97 WeakPolarHBondContact O-CB 3.38Å; G93-S97 PolarHBondContact O-N 3.33Å; G93-S97 PolarHBondContact O-OG 3.23Å
94A83.6Confident77.5Confident35 Ų3527.4 Ų27.429%0.28915%0.15SC..Hα-helixtrans-64.6-49.1175.100000111.5I90 L91 Y92 S97 V98I90-A94 WeakPolarHBondContact O-CB 3.41Å; I90-A94 PolarHBondContact O-N 3.46Å; L91-A94 PolarHBondContact O-N 3Å; Y92-A94 VanDerWaalsContact C-N 3.33Å; Y92-A94 PolarHBondContact O-N 3.3Å; A94-S97 PolarHBondContact O-N 2.89Å; A94-V98 WeakPolarHBondContact O-CG2 3.41Å; A94-V98 PolarHBondContact O-N 3.49Å
95C80.4Confident78.2Confident18 Ų1824.5 Ų24.512%0.12213%0.134CC..Hα-helixtrans-60.3-50.4-179.7-71.80000111.8F61 I64 L91 Y92 S97 V98 A99F61-C95 HydrophobicContact CD1-CB 4.1Å; I64-C95 HydrophobicContact CG2-CB 4.42Å; L91-C95 WeakPolarHBondContact O-CB 3.07Å; L91-C95 PolarHBondContact O-N 3.45Å; L91-C95 PolarHBondContact O-SG 2.93Å; Y92-C95 PolarHBondContact O-N 2.85Å; C95-S97 VanDerWaalsContact C-N 3.31Å; C95-S97 PolarHBondContact O-N 3.37Å; C95-V98 PolarHBondContact O-N 3.28Å; C95-A99 PolarHBondContact O-N 3.31Å
96I80.7Confident78.4Confident9 Ų926.9 Ų26.95%0.04615%0.147CC..Hα-helixtrans-67.8-34.8-179.1-159.667.5000111Y92 V98 A99 Q100 F199 L203Y92-I96 HydrophobicContact CD1-CG2 4.17Å; Y92-I96 HydrophobicContact CE1-CB 4.3Å; Y92-I96 HydrophobicContact CE1-CG2 3.76Å; Y92-I96 WeakPolarHBondContact O-CG2 3.31Å; Y92-I96 PolarHBondContact O-N 3.42Å; I96-V98 VanDerWaalsContact C-N 3.31Å; I96-V98 PolarHBondContact O-N 3.42Å; I96-A99 HydrophobicContact CD1-CB 4.45Å; I96-A99 WeakPolarHBondContact O-CB 3.42Å; I96-A99 PolarHBondContact O-N 3.42Å; I96-A99 VanDerWaalsContact O-N 3.16Å; I96-Q100 HydrophobicContact CG1-CG 4.47Å; I96-Q100 VanDerWaalsContact O-CG 3.3Å; I96-Q100 WeakPolarHBondContact O-CG 3.29Å; I96-Q100 PolarHBondContact O-N 3.14Å; I96-F199 HydrophobicContact CG2-CE1 3.71Å; I96-L203 HydrophobicContact CB-CD1 4.38Å; I96-L203 HydrophobicContact CG1-CD1 4.12Å; I96-L203 HydrophobicContact CG2-CD1 3.44Å; I96-L203 VanDerWaalsContact CG2-CD1 3.44Å
97S83.4Confident78.4Confident0 Ų025 Ų250%014%0.14CC..Hα-helixtrans-61.9-38.5174.2-65.30000112.6S35 G93 A94 C95 G101S35-S97 WeakPolarHBondContact CA-OG 3.37Å; S35-S97 WeakPolarHBondContact CB-OG 3.31Å; S35-S97 WeakPolarHBondContact OG-CB 3.47Å; S35-S97 PolarHBondContact OG-OG 3.26Å; G93-S97 WeakPolarHBondContact O-CB 3.38Å; G93-S97 PolarHBondContact O-N 3.33Å; G93-S97 PolarHBondContact O-OG 3.23Å; A94-S97 PolarHBondContact O-N 2.89Å; C95-S97 VanDerWaalsContact C-N 3.31Å; C95-S97 PolarHBondContact O-N 3.37Å; S97-G101 PolarHBondContact O-N 3.1Å
98V82.3Confident78.6Confident27 Ų2723.7 Ų23.716%0.16414%0.138CC..Hα-helixtrans-65.2-45.1174.1173.70000110.1V38 F61 A94 C95 I96 Q100 G101 Y102V38-V98 HydrophobicContact CG1-CB 4.35Å; V38-V98 HydrophobicContact CG1-CG2 3.7Å; F61-V98 HydrophobicContact CD1-CB 4.11Å; F61-V98 HydrophobicContact CD1-CG1 4.12Å; F61-V98 HydrophobicContact CD2-CB 4.35Å; F61-V98 HydrophobicContact CD2-CG1 3.54Å; F61-V98 HydrophobicContact CE1-CB 4.34Å; F61-V98 HydrophobicContact CE1-CG1 4.18Å; F61-V98 HydrophobicContact CE2-CG1 3.62Å; F61-V98 HydrophobicContact CG-CB 4.12Å; F61-V98 HydrophobicContact CG-CG1 3.81Å; F61-V98 HydrophobicContact CZ-CG1 3.95Å; A94-V98 WeakPolarHBondContact O-CG2 3.41Å; A94-V98 PolarHBondContact O-N 3.49Å; C95-V98 PolarHBondContact O-N 3.28Å; I96-V98 VanDerWaalsContact C-N 3.31Å; I96-V98 PolarHBondContact O-N 3.42Å; V98-Q100 VanDerWaalsContact C-N 3.35Å; V98-Q100 PolarHBondContact O-N 3Å; V98-G101 PolarHBondContact O-N 3.4Å; V98-Y102 HydrophobicContact CG1-CD2 3.58Å; V98-Y102 HydrophobicContact CG1-CE2 3.54Å; V98-Y102 VanDerWaalsContact O-CD2 3.28Å; V98-Y102 WeakPolarHBondContact O-CD2 3.48Å; V98-Y102 PolarHBondContact O-N 2.87Å
99A76.1Confident78.8Confident0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-58.7-44.7177.300000112.4T58 F61 T62 C95 I96 S103 Q176T58-A99 WeakPolarHBondContact CG2-O 3.4Å; F61-A99 HydrophobicContact CB-CB 3.84Å; T62-A99 WeakPolarHBondContact OG1-CB 3.46Å; C95-A99 PolarHBondContact O-N 3.31Å; I96-A99 HydrophobicContact CD1-CB 4.45Å; I96-A99 WeakPolarHBondContact O-CB 3.42Å; I96-A99 PolarHBondContact O-N 3.42Å; I96-A99 VanDerWaalsContact O-N 3.16Å; A99-S103 PolarHBondContact O-N 3.4Å; A99-Q176 PolarHBondContact O-NE2 2.82Å; A99-Q176 VanDerWaalsContact O-NE2 3.1Å
100Q78.4Confident78.7Confident5 Ų531.2 Ų31.22%0.02318%0.181CC..Hα-helixtrans-73.3-35.2178.1-58.6-56.3-3.400112.5I96 V98 Y102 S103 L203 V207I96-Q100 HydrophobicContact CG1-CG 4.47Å; I96-Q100 VanDerWaalsContact O-CG 3.3Å; I96-Q100 WeakPolarHBondContact O-CG 3.29Å; I96-Q100 PolarHBondContact O-N 3.14Å; V98-Q100 VanDerWaalsContact C-N 3.35Å; V98-Q100 PolarHBondContact O-N 3Å; Q100-Y102 VanDerWaalsContact C-N 3.31Å; Q100-Y102 PolarHBondContact O-N 3.31Å; Q100-S103 PolarHBondContact O-N 2.96Å; Q100-S103 PolarHBondContact O-OG 3.16Å; Q100-L203 HydrophobicContact CG-CB 4.37Å; Q100-L203 HydrophobicContact CG-CD1 4.31Å; Q100-L203 HydrophobicContact CG-CD2 4.3Å; Q100-V207 HydrophobicContact CB-CG2 4.3Å; Q100-V207 HydrophobicContact CG-CG2 4.19Å
101G77.6Confident78.4Confident0 Ų027.4 Ų27.40%016%0.161CC..Hα-helixtrans-66-34.4177.500000112.7S97 V98 I105S97-G101 PolarHBondContact O-N 3.1Å; V98-G101 PolarHBondContact O-N 3.4Å; G101-I105 PolarHBondContact O-N 3.43Å
102Y77.3Confident78.2Confident15 Ų1523.5 Ų23.56%0.05914%0.141CC..Hα-helixtrans-70.3-39176.8-90.4-65.3000113L42 F48 V54 F57 T58 V98 Q100 V104 I105L42-Y102 HydrophobicContact CD1-CD2 4.32Å; L42-Y102 HydrophobicContact CD2-CD1 4.31Å; L42-Y102 HydrophobicContact CD2-CD2 4.16Å; L42-Y102 HydrophobicContact CD2-CE1 3.8Å; L42-Y102 HydrophobicContact CD2-CE2 3.65Å; L42-Y102 HydrophobicContact CD2-CG 4.47Å; L42-Y102 VanDerWaalsContact CD2-CZ 3.44Å; F48-Y102 HydrophobicContact CB-CE1 3.94Å; V54-Y102 VanDerWaalsContact CG1-O 3.28Å; V54-Y102 WeakPolarHBondContact CG1-O 3.44Å; V54-Y102 HydrophobicContact CG2-CD1 4.45Å; F57-Y102 HydrophobicContact CB-CD2 3.75Å; F57-Y102 HydrophobicContact CB-CE2 3.73Å; F57-Y102 HydrophobicContact CB-CG 4.18Å; F57-Y102 HydrophobicContact CD2-CE1 4.32Å; F57-Y102 HydrophobicContact CD2-CE2 4.47Å; F57-Y102 HydrophobicContact CG-CE2 4.06Å; T58-Y102 VanDerWaalsContact OG1-CB 3.31Å; T58-Y102 WeakPolarHBondContact OG1-CB 3.29Å; V98-Y102 HydrophobicContact CG1-CD2 3.58Å; V98-Y102 HydrophobicContact CG1-CE2 3.54Å; V98-Y102 VanDerWaalsContact O-CD2 3.28Å; V98-Y102 WeakPolarHBondContact O-CD2 3.48Å; V98-Y102 PolarHBondContact O-N 2.87Å; Q100-Y102 VanDerWaalsContact C-N 3.31Å; Q100-Y102 PolarHBondContact O-N 3.31Å; Y102-V104 PolarHBondContact O-N 2.99Å; Y102-I105 HydrophobicContact CD1-CD1 3.78Å; Y102-I105 HydrophobicContact CE1-CD1 3.76Å; Y102-I105 WeakPolarHBondContact O-CB 3.12Å; Y102-I105 WeakPolarHBondContact O-CG2 3.45Å; Y102-I105 PolarHBondContact O-N 2.6Å
103S71.5Confident78.1Confident18 Ų1827.2 Ų27.213%0.12616%0.164CC..Hα-helixtrans-60.1-30.5-18064.30000112.5A99 Q100 Q176A99-S103 PolarHBondContact O-N 3.4Å; Q100-S103 PolarHBondContact O-N 2.96Å; Q100-S103 PolarHBondContact O-OG 3.16Å; S103-Q176 PolarHBondContact OG-OE1 3.1Å
104V74.8Confident77.7Confident11 Ų1128.4 Ų28.47%0.06718%0.176CC..THydrogen-bonded Turntrans-103.312.9176.2-57.40000113.8T39 Y102 N106 A107 K112 F206 S210T39-V104 HydrophobicContact CG2-CG2 4.16Å; Y102-V104 PolarHBondContact O-N 2.99Å; V104-N106 PolarHBondContact O-N 3.21Å; V104-A107 HydrophobicContact CB-CB 4.39Å; V104-A107 WeakPolarHBondContact O-CB 3.29Å; V104-A107 PolarHBondContact O-N 2.99Å; V104-K112 HydrophobicContact CG2-CG 4.48Å; V104-K112 WeakPolarHBondContact O-CE 3.24Å; V104-K112 PolarHBondContact O-NZ 3.4Å; V104-F206 HydrophobicContact CG2-CE1 4Å; V104-F206 HydrophobicContact CG2-CZ 3.89Å; V104-S210 WeakPolarHBondContact CG1-OG 3.39Å
105I77.1Confident77.6Confident2 Ų226.7 Ų26.71%0.0116%0.162CC..THydrogen-bonded Turntrans-56.4-33.7-172.7-161169.5000112.6L42 F48 K49 V54 G101 Y102 K112L42-I105 HydrophobicContact CB-CD1 4.46Å; L42-I105 WeakPolarHBondContact O-CG1 3.37Å; F48-I105 HydrophobicContact CB-CD1 4.43Å; K49-I105 HydrophobicContact CG-CD1 4.15Å; K49-I105 HydrophobicContact CG-CG1 4.17Å; V54-I105 HydrophobicContact CG2-CG2 3.42Å; V54-I105 VanDerWaalsContact CG2-CG2 3.42Å; G101-I105 PolarHBondContact O-N 3.43Å; Y102-I105 HydrophobicContact CD1-CD1 3.78Å; Y102-I105 HydrophobicContact CE1-CD1 3.76Å; Y102-I105 WeakPolarHBondContact O-CB 3.12Å; Y102-I105 WeakPolarHBondContact O-CG2 3.45Å; Y102-I105 PolarHBondContact O-N 2.6Å; I105-K112 PolarHBondContact O-NZ 3.15Å
106N73.4Confident77.7Confident59 Ų5926.5 Ų26.532%0.31616%0.159SC..THydrogen-bonded Turntrans-82.7-9.1-177.9-73.3-32.1000113.9V104V104-N106 PolarHBondContact O-N 3.21Å
107A72.8Confident77.4Confident15 Ų1528.7 Ų28.712%0.12418%0.178CC..SBendtrans-74.4151.1174.800000111.2V104 V111 K112V104-A107 HydrophobicContact CB-CB 4.39Å; V104-A107 WeakPolarHBondContact O-CB 3.29Å; V104-A107 PolarHBondContact O-N 2.99Å; A107-V111 HydrophobicContact CB-CB 4.32Å; A107-V111 HydrophobicContact CB-CG1 4.11Å; A107-K112 HydrophobicContact CB-CG 4.47Å; A107-K112 VanDerWaalsContact O-CE 3.26Å; A107-K112 WeakPolarHBondContact O-CE 3.07Å
108C78.8Confident77.1Confident64 Ų6431.7 Ų31.743%0.43219%0.194SC..  trans-62.3150173.5-172.80000110.6L110 V111 K112C108-L110 PolarHBondContact O-N 3.11Å; C108-V111 HydrophobicContact CB-CG2 4.2Å; C108-V111 WeakPolarHBondContact O-CB 3.26Å; C108-V111 PolarHBondContact O-N 2.94Å; C108-V111 VanDerWaalsContact O-N 3.09Å; C108-K112 PolarHBondContact O-N 2.73Å
109V79.6Confident76.9Confident73 Ų7330.4 Ų30.444%0.44219%0.186SC..Hα-helixtrans-57.3-36.5176.4178.20000110.9L40 V111 K112 V113L40-V109 HydrophobicContact CD2-CG1 4.15Å; V109-V111 VanDerWaalsContact C-N 3.35Å; V109-V111 PolarHBondContact O-N 2.93Å; V109-K112 WeakPolarHBondContact O-CB 3.45Å; V109-K112 PolarHBondContact O-N 3.05Å; V109-V113 HydrophobicContact CG1-CG2 4.26Å; V109-V113 WeakPolarHBondContact O-CG2 2.81Å; V109-V113 PolarHBondContact O-N 3.47Å
110L77Confident76.8Confident133 Ų13334.1 Ų34.170%0.69620%0.202SC*.Hα-helixtrans-60-42.8176.7-171.767.7000112.2C108 K112 V113 G114C108-L110 PolarHBondContact O-N 3.11Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 3.13Å; L110-V113 PolarHBondContact O-N 3.36Å; L110-G114 PolarHBondContact O-N 2.89Å
111V76.1Confident76.6Confident4 Ų437.8 Ų37.82%0.02423%0.225CC..Hα-helixtrans-62.3-41.7176.21720000110.9A107 C108 V109 G114 A115 V213 H214 E217A107-V111 HydrophobicContact CB-CB 4.32Å; A107-V111 HydrophobicContact CB-CG1 4.11Å; C108-V111 HydrophobicContact CB-CG2 4.2Å; C108-V111 WeakPolarHBondContact O-CB 3.26Å; C108-V111 PolarHBondContact O-N 2.94Å; C108-V111 VanDerWaalsContact O-N 3.09Å; V109-V111 VanDerWaalsContact C-N 3.35Å; V109-V111 PolarHBondContact O-N 2.93Å; V111-G114 PolarHBondContact O-N 3.15Å; V111-A115 VanDerWaalsContact O-CB 3.28Å; V111-A115 WeakPolarHBondContact O-CB 3.24Å; V111-A115 PolarHBondContact O-N 3.37Å; V111-V213 HydrophobicContact CB-CG1 4.04Å; V111-V213 HydrophobicContact CG1-CB 3.99Å; V111-V213 HydrophobicContact CG1-CG1 3.79Å; V111-V213 HydrophobicContact CG2-CG1 3.99Å; V111-H214 HydrophobicContact CG1-CB 4.21Å; V111-E217 WeakPolarHBondContact CG2-OE2 3.32Å
112K78.7Confident76.5Confident1 Ų141 Ų410%0.00424%0.242CC..Hα-helixtrans-63.8-45.3178.4-62.8173.7-176.8-169.40111.4T39 S43 V104 I105 A107 C108 V109 L110 A115 W116T39-K112 HydrophobicContact CG2-CD 4.09Å; T39-K112 HydrophobicContact CG2-CG 4.48Å; S43-K112 WeakPolarHBondContact OG-CD 3.45Å; S43-K112 PolarHBondContact OG-NZ 3.23Å; V104-K112 HydrophobicContact CG2-CG 4.48Å; V104-K112 WeakPolarHBondContact O-CE 3.24Å; V104-K112 PolarHBondContact O-NZ 3.4Å; I105-K112 PolarHBondContact O-NZ 3.15Å; A107-K112 HydrophobicContact CB-CG 4.47Å; A107-K112 VanDerWaalsContact O-CE 3.26Å; A107-K112 WeakPolarHBondContact O-CE 3.07Å; C108-K112 PolarHBondContact O-N 2.73Å; V109-K112 WeakPolarHBondContact O-CB 3.45Å; V109-K112 PolarHBondContact O-N 3.05Å; L110-K112 VanDerWaalsContact C-N 3.32Å; L110-K112 PolarHBondContact O-N 3.13Å; K112-A115 PolarHBondContact O-N 3.24Å; K112-W116 PolarHBondContact O-N 2.8Å
113V78.5Confident76.3Confident82 Ų8241.2 Ų41.250%0.49724%0.244SC..Hα-helixtrans-64-44.5177.9175.30000110.6V109 L110 W116 A117V109-V113 HydrophobicContact CG1-CG2 4.26Å; V109-V113 WeakPolarHBondContact O-CG2 2.81Å; V109-V113 PolarHBondContact O-N 3.47Å; L110-V113 PolarHBondContact O-N 3.36Å; V113-W116 PolarHBondContact O-N 3.5Å; V113-A117 PolarHBondContact O-N 3.2Å
114G74.3Confident76.3Confident25 Ų2543.9 Ų43.926%0.25826%0.263SS..Hα-helixtrans-60.6-44.8175.500000112.7L110 V111 W116 A117 I118L110-G114 PolarHBondContact O-N 2.89Å; V111-G114 PolarHBondContact O-N 3.15Å; G114-W116 PolarHBondContact O-N 3.36Å; G114-A117 PolarHBondContact O-N 2.96Å; G114-I118 WeakPolarHBondContact O-CG1 3.46Å; G114-I118 PolarHBondContact O-N 3.12Å
115A80.3Confident75.9Confident0 Ų047.8 Ų47.80%028%0.282CS..Hα-helixtrans-62.3-41.717700000112.6V111 K112 I118 A119 F206V111-A115 VanDerWaalsContact O-CB 3.28Å; V111-A115 WeakPolarHBondContact O-CB 3.24Å; V111-A115 PolarHBondContact O-N 3.37Å; K112-A115 PolarHBondContact O-N 3.24Å; A115-I118 PolarHBondContact O-N 2.95Å; A115-A119 VanDerWaalsContact O-CB 3.27Å; A115-A119 WeakPolarHBondContact O-CB 3.15Å; A115-A119 PolarHBondContact O-N 2.87Å; A115-F206 HydrophobicContact CB-CD2 3.85Å; A115-F206 HydrophobicContact CB-CE2 3.85Å
116W82.5Confident75.6Confident13 Ų1351.1 Ų51.15%0.04930%0.299CS..Hα-helixtrans-62.2-43.9173.5-85.3114.3000111.9S35 I36 K112 V113 G114 I118 A119 F120 L202 L203 F206S35-W116 WeakPolarHBondContact OG-CH2 3.13Å; I36-W116 HydrophobicContact CD1-CD2 4.43Å; I36-W116 HydrophobicContact CD1-CE3 4.43Å; I36-W116 HydrophobicContact CG1-CD2 3.63Å; I36-W116 HydrophobicContact CG1-CE3 3.95Å; I36-W116 HydrophobicContact CG1-CG 4.11Å; I36-W116 HydrophobicContact CG1-CH2 4.19Å; I36-W116 HydrophobicContact CG1-CZ2 3.88Å; I36-W116 HydrophobicContact CG1-CZ3 4.21Å; K112-W116 PolarHBondContact O-N 2.8Å; V113-W116 PolarHBondContact O-N 3.5Å; G114-W116 PolarHBondContact O-N 3.36Å; W116-I118 PolarHBondContact O-N 3.38Å; W116-A119 PolarHBondContact O-N 3.22Å; W116-F120 HydrophobicContact CE3-CD2 4.37Å; W116-F120 AromaticContact CE3-CE2 3.73Å; W116-F120 HydrophobicContact CE3-CE2 3.73Å; W116-F120 HydrophobicContact CE3-CZ 4.15Å; W116-F120 HydrophobicContact CZ3-CE2 4.41Å; W116-F120 HydrophobicContact CZ3-CZ 4.39Å; W116-F120 WeakPolarHBondContact O-CD2 3.49Å; W116-F120 PolarHBondContact O-N 3.24Å; W116-L202 HydrophobicContact CZ3-CD1 4.41Å; W116-L202 HydrophobicContact CZ3-CD2 4.04Å; W116-L202 HydrophobicContact CZ3-CG 4.02Å; W116-L203 HydrophobicContact CH2-CD2 3.97Å; W116-F206 HydrophobicContact CB-CD2 4.47Å; W116-F206 AromaticContact CD1-CD2 3.74Å; W116-F206 AromaticContact CD1-CE2 3.35Å; W116-F206 AromaticContact CD2-CD2 3.62Å; W116-F206 HydrophobicContact CD2-CD2 3.62Å; W116-F206 HydrophobicContact CD2-CE2 4.02Å; W116-F206 HydrophobicContact CD2-CG 4.23Å; W116-F206 AromaticContact CE2-CD2 3.58Å; W116-F206 AromaticContact CE2-CE2 3.68Å; W116-F206 HydrophobicContact CE3-CB 4.49Å; W116-F206 HydrophobicContact CE3-CD2 4.25Å; W116-F206 AromaticContact CG-CD2 3.72Å; W116-F206 HydrophobicContact CG-CD2 3.72Å; W116-F206 AromaticContact CG-CE2 3.82Å; W116-F206 HydrophobicContact CG-CE2 3.82Å; W116-F206 HydrophobicContact CH2-CG 4.44Å; W116-F206 HydrophobicContact CZ2-CD1 4.33Å; W116-F206 HydrophobicContact CZ2-CD2 4.17Å; W116-F206 HydrophobicContact CZ2-CE2 4.41Å; W116-F206 HydrophobicContact CZ2-CG 4.12Å; W116-F206 HydrophobicContact CZ3-CB 4.45Å; W116-F206 AromaticContact NE1-CD2 3.64Å; W116-F206 AromaticContact NE1-CE2 3.23Å; W116-F206 AromaticContact NE1-CZ 3.67Å
117A74.8Confident75.1Confident55 Ų5550 Ų5046%0.45530%0.295SS..Hα-helixtrans-59.8-47.417800000111.6V113 G114 A119 F120 V121V113-A117 PolarHBondContact O-N 3.2Å; G114-A117 PolarHBondContact O-N 2.96Å; A117-A119 VanDerWaalsContact C-N 3.35Å; A117-A119 PolarHBondContact O-N 3.23Å; A117-F120 PolarHBondContact O-N 2.83Å; A117-V121 WeakPolarHBondContact O-CG2 3.36Å; A117-V121 PolarHBondContact O-N 2.91Å
118I76.6Confident74.3Confident64 Ų6452.1 Ų52.133%0.32831%0.307SS..Hα-helixtrans-61.9-43.9176.7-62.3164.2000110.5G114 A115 W116 F120 V121 L122 S209 V213G114-I118 WeakPolarHBondContact O-CG1 3.46Å; G114-I118 PolarHBondContact O-N 3.12Å; A115-I118 PolarHBondContact O-N 2.95Å; W116-I118 PolarHBondContact O-N 3.38Å; I118-F120 PolarHBondContact O-N 3.37Å; I118-V121 PolarHBondContact O-N 2.7Å; I118-L122 HydrophobicContact CG2-CD1 4.03Å; I118-L122 HydrophobicContact CG2-CG 4.32Å; I118-L122 WeakPolarHBondContact O-CG 3.4Å; I118-L122 PolarHBondContact O-N 2.87Å; I118-S209 WeakPolarHBondContact CG2-OG 3.49Å; I118-V213 HydrophobicContact CD1-CG2 3.58Å
119A78.3Confident73.4Confident0 Ų053 Ų530%031%0.307CS..Hα-helixtrans-60.8-41.3179.400000113A115 W116 A117 L123 L202 F205 F206A115-A119 VanDerWaalsContact O-CB 3.27Å; A115-A119 WeakPolarHBondContact O-CB 3.15Å; A115-A119 PolarHBondContact O-N 2.87Å; W116-A119 PolarHBondContact O-N 3.22Å; A117-A119 VanDerWaalsContact C-N 3.35Å; A117-A119 PolarHBondContact O-N 3.23Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 PolarHBondContact O-N 2.76Å; A119-L202 HydrophobicContact CB-CD1 3.91Å; A119-F205 HydrophobicContact CB-CB 3.74Å; A119-F206 HydrophobicContact CB-CB 4.1Å
120F74.5Confident72.5Confident77 Ų7751.8 Ų51.834%0.33831%0.309SS..Hα-helixtrans-67.8-38174.7-78.7-63.4000112.7I36 W116 A117 I118 L123 S124 L202I36-F120 HydrophobicContact CD1-CE2 3.82Å; I36-F120 HydrophobicContact CD1-CZ 3.93Å; W116-F120 HydrophobicContact CE3-CD2 4.37Å; W116-F120 AromaticContact CE3-CE2 3.73Å; W116-F120 HydrophobicContact CE3-CE2 3.73Å; W116-F120 HydrophobicContact CE3-CZ 4.15Å; W116-F120 HydrophobicContact CZ3-CE2 4.41Å; W116-F120 HydrophobicContact CZ3-CZ 4.39Å; W116-F120 WeakPolarHBondContact O-CD2 3.49Å; W116-F120 PolarHBondContact O-N 3.24Å; A117-F120 PolarHBondContact O-N 2.83Å; I118-F120 PolarHBondContact O-N 3.37Å; F120-L123 PolarHBondContact O-N 3.38Å; F120-S124 VanDerWaalsContact O-CB 3.32Å; F120-S124 WeakPolarHBondContact O-CB 3.24Å; F120-S124 PolarHBondContact O-N 2.89Å; F120-S124 PolarHBondContact O-OG 2.91Å; F120-L202 HydrophobicContact CD1-CD1 4.02Å; F120-L202 HydrophobicContact CD1-CD2 4.43Å; F120-L202 HydrophobicContact CE1-CD1 4.17Å; F120-L202 HydrophobicContact CE1-CD2 3.8Å; F120-L202 HydrophobicContact CG-CD1 4.44Å; F120-L202 HydrophobicContact CZ-CD2 4.22Å
121V74.5Confident71.3Confident83 Ų8351.6 Ų51.650%0.50331%0.306SS..Hα-helixtrans-61.6-49.4175171.30000110.1A117 I118 L123 S124 I125A117-V121 WeakPolarHBondContact O-CG2 3.36Å; A117-V121 PolarHBondContact O-N 2.91Å; I118-V121 PolarHBondContact O-N 2.7Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.15Å; V121-S124 PolarHBondContact O-N 2.84Å; V121-S124 VanDerWaalsContact O-N 3.16Å; V121-S124 PolarHBondContact O-OG 2.93Å; V121-I125 HydrophobicContact CG1-CD1 4.22Å; V121-I125 WeakPolarHBondContact O-CG1 3.17Å; V121-I125 PolarHBondContact O-N 3.47Å
122L75.4Confident70.1Confident68 Ų6857 Ų5736%0.35634%0.339SS..Hα-helixtrans-60-43.9177.6-69.3174.3000111.9I118 S124 I125 L126 F205I118-L122 HydrophobicContact CG2-CD1 4.03Å; I118-L122 HydrophobicContact CG2-CG 4.32Å; I118-L122 WeakPolarHBondContact O-CG 3.4Å; I118-L122 PolarHBondContact O-N 2.87Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 3.37Å; L122-I125 PolarHBondContact O-N 2.87Å; L122-L126 WeakPolarHBondContact O-CB 3.18Å; L122-L126 PolarHBondContact O-N 2.87Å; L122-F205 HydrophobicContact CB-CD1 4.37Å; L122-F205 HydrophobicContact CB-CD2 3.72Å; L122-F205 HydrophobicContact CB-CE1 4.44Å; L122-F205 HydrophobicContact CB-CE2 3.79Å; L122-F205 HydrophobicContact CB-CG 4.02Å; L122-F205 HydrophobicContact CB-CZ 4.16Å; L122-F205 HydrophobicContact CD1-CB 4.23Å; L122-F205 HydrophobicContact CD1-CD1 3.91Å; L122-F205 HydrophobicContact CD1-CE1 4.38Å; L122-F205 HydrophobicContact CD1-CG 4.01Å
123L73.4Confident69Low19 Ų1961.2 Ų61.210%0.09936%0.36CS..Hα-helixtrans-63.1-40.1176.3-169.873.1000111.9A119 F120 V121 I125 L126 V127 L198 L202A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 PolarHBondContact O-N 2.76Å; F120-L123 PolarHBondContact O-N 3.38Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.15Å; L123-I125 PolarHBondContact O-N 3.47Å; L123-L126 PolarHBondContact O-N 3.43Å; L123-V127 HydrophobicContact CD1-CG2 4.23Å; L123-V127 HydrophobicContact CG-CG2 4.07Å; L123-V127 WeakPolarHBondContact O-CG2 3.32Å; L123-V127 PolarHBondContact O-N 3.38Å; L123-L198 HydrophobicContact CD1-CD2 4.35Å; L123-L202 HydrophobicContact CB-CD1 4.21Å; L123-L202 HydrophobicContact CD2-CB 4.15Å; L123-L202 HydrophobicContact CD2-CD1 4Å; L123-L202 HydrophobicContact CD2-CD2 4.28Å; L123-L202 HydrophobicContact CD2-CG 4.36Å
124S70.3Confident67.3Low74 Ų7466.9 Ų66.952%0.51738%0.378SS..Hα-helixtrans-65.2-24.6179.576.30000113.5F120 V121 L122 P128F120-S124 VanDerWaalsContact O-CB 3.32Å; F120-S124 WeakPolarHBondContact O-CB 3.24Å; F120-S124 PolarHBondContact O-N 2.89Å; F120-S124 PolarHBondContact O-OG 2.91Å; V121-S124 PolarHBondContact O-N 2.84Å; V121-S124 VanDerWaalsContact O-N 3.16Å; V121-S124 PolarHBondContact O-OG 2.93Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 3.37Å; S124-P128 WeakPolarHBondContact O-CD 3.45Å; S124-P128 WeakPolarHBondContact O-CG 3.21Å
125I68.1Low66Low93 Ų9370.2 Ų70.248%0.47739%0.394SS..Hα-helixtrans-82.9-42.6173.2-64.2166.3000110.2V121 L122 L123 P128 I129V121-I125 HydrophobicContact CG1-CD1 4.22Å; V121-I125 WeakPolarHBondContact O-CG1 3.17Å; V121-I125 PolarHBondContact O-N 3.47Å; L122-I125 PolarHBondContact O-N 2.87Å; L123-I125 PolarHBondContact O-N 3.47Å; I125-P128 WeakPolarHBondContact O-CD 3.24Å; I125-I129 HydrophobicContact CG2-CD1 3.82Å; I125-I129 WeakPolarHBondContact O-CD1 3.3Å; I125-I129 VanDerWaalsContact O-CG1 3.31Å; I125-I129 WeakPolarHBondContact O-CG1 3.45Å; I125-I129 PolarHBondContact O-N 3.17Å
126L69.5Low64.4Low71 Ų7175.8 Ų75.837%0.37242%0.424SS..Hα-helixtrans-67.4-40.6-176.8-173.566.6000112.9L122 L123 I129 G130 T201 F205L122-L126 WeakPolarHBondContact O-CB 3.18Å; L122-L126 PolarHBondContact O-N 2.87Å; L123-L126 PolarHBondContact O-N 3.43Å; L126-I129 PolarHBondContact O-N 3.46Å; L126-G130 PolarHBondContact O-N 3.08Å; L126-T201 HydrophobicContact CD2-CG2 3.7Å; L126-F205 HydrophobicContact CD2-CE2 4.1Å; L126-F205 HydrophobicContact CD2-CZ 4Å
127V62.6Low63Low35 Ų3577.5 Ų77.521%0.21243%0.433CS..Hα-helixtrans-59.8-50.8-177.3168.10000112L123 I129 G130 M131 L198L123-V127 HydrophobicContact CD1-CG2 4.23Å; L123-V127 HydrophobicContact CG-CG2 4.07Å; L123-V127 WeakPolarHBondContact O-CG2 3.32Å; L123-V127 PolarHBondContact O-N 3.38Å; V127-I129 VanDerWaalsContact C-N 3.34Å; V127-I129 PolarHBondContact O-N 3.43Å; V127-G130 PolarHBondContact O-N 2.94Å; V127-M131 WeakPolarHBondContact O-CG 3.39Å; V127-M131 PolarHBondContact O-N 3.07Å; V127-L198 HydrophobicContact CG2-CD2 3.92Å
128P56.8Low61.6Low60 Ų6078 Ų7839%0.3943%0.434SS..Hα-helixtrans-57.5-41.9173.2-26.134.1000113.8S124 I125 G130 M131 V132S124-P128 WeakPolarHBondContact O-CD 3.45Å; S124-P128 WeakPolarHBondContact O-CG 3.21Å; I125-P128 WeakPolarHBondContact O-CD 3.24Å; P128-G130 PolarHBondContact O-N 3.25Å; P128-M131 PolarHBondContact O-N 3.33Å; P128-V132 VanDerWaalsContact O-CG2 3.31Å; P128-V132 WeakPolarHBondContact O-CG2 3.49Å; P128-V132 PolarHBondContact O-N 3.02Å; P128-V132 VanDerWaalsContact O-N 3.1Å
129I60.8Low60.2Low84 Ų8483 Ų8343%0.43146%0.456SS..Hα-helixtrans-60.8-47.5177.8-66.5169.2000109.9I125 L126 V127 M131 V132 I133I125-I129 HydrophobicContact CG2-CD1 3.82Å; I125-I129 WeakPolarHBondContact O-CD1 3.3Å; I125-I129 VanDerWaalsContact O-CG1 3.31Å; I125-I129 WeakPolarHBondContact O-CG1 3.45Å; I125-I129 PolarHBondContact O-N 3.17Å; L126-I129 PolarHBondContact O-N 3.46Å; V127-I129 VanDerWaalsContact C-N 3.34Å; V127-I129 PolarHBondContact O-N 3.43Å; I129-M131 VanDerWaalsContact C-N 3.3Å; I129-M131 PolarHBondContact O-N 3.41Å; I129-V132 PolarHBondContact O-N 2.94Å; I129-V132 VanDerWaalsContact O-N 3.13Å; I129-I133 HydrophobicContact CG2-CD1 3.64Å; I129-I133 HydrophobicContact CG2-CG1 4.4Å; I129-I133 VanDerWaalsContact O-CG1 3.26Å; I129-I133 WeakPolarHBondContact O-CG1 3.38Å; I129-I133 PolarHBondContact O-N 2.99Å; I129-I133 VanDerWaalsContact O-N 3.11Å
130G58.8Low59Low47 Ų4788.5 Ų88.549%0.48548%0.481SS..Hα-helixtrans-62.1-33.3176.900000113.8L126 V127 P128L126-G130 PolarHBondContact O-N 3.08Å; V127-G130 PolarHBondContact O-N 2.94Å; P128-G130 PolarHBondContact O-N 3.25Å
131M53Low57.6Low129 Ų12987.2 Ų87.264%0.63548%0.48SS*.Hα-helixtrans-71.2-29.4174.9-68.2-166-46.800113.3V127 P128 I129V127-M131 WeakPolarHBondContact O-CG 3.39Å; V127-M131 PolarHBondContact O-N 3.07Å; P128-M131 PolarHBondContact O-N 3.33Å; I129-M131 VanDerWaalsContact C-N 3.3Å; I129-M131 PolarHBondContact O-N 3.41Å
132V50Low56.3Low117 Ų11787 Ų8771%0.70948%0.482SS*.Hα-helixtrans-81-31.1-179.2172.50000111.4P128 I129 K134P128-V132 VanDerWaalsContact O-CG2 3.31Å; P128-V132 WeakPolarHBondContact O-CG2 3.49Å; P128-V132 PolarHBondContact O-N 3.02Å; P128-V132 VanDerWaalsContact O-N 3.1Å; I129-V132 PolarHBondContact O-N 2.94Å; I129-V132 VanDerWaalsContact O-N 3.13Å; V132-K134 PolarHBondContact O-N 3.4Å
133I55.7Low55Low89 Ų8986.5 Ų86.546%0.45649%0.487SS..  trans-73.398.5179-65.6170.7000109.2I129 T135I129-I133 HydrophobicContact CG2-CD1 3.64Å; I129-I133 HydrophobicContact CG2-CG1 4.4Å; I129-I133 VanDerWaalsContact O-CG1 3.26Å; I129-I133 WeakPolarHBondContact O-CG1 3.38Å; I129-I133 PolarHBondContact O-N 2.99Å; I129-I133 VanDerWaalsContact O-N 3.11Å; I133-T135 VanDerWaalsContact C-N 3.28Å; I133-T135 WeakPolarHBondContact CG2-OG1 3.34Å; I133-T135 PolarHBondContact O-N 3.22Å
134K43.4Very low53.7Low202 Ų20286.7 Ų86.788%0.87849%0.488SS*.  trans-85.39.6175.9-72-174.5177.1179.80114V132 D136V132-K134 PolarHBondContact O-N 3.4Å; K134-D136 PolarHBondContact O-N 3.32Å
135T47.7Very low52.6Low94 Ų9488.1 Ų88.158%0.57749%0.489SS*.  trans-71.2127.6-176.6100000110.4I133 L137I133-T135 VanDerWaalsContact C-N 3.28Å; I133-T135 WeakPolarHBondContact CG2-OG1 3.34Å; I133-T135 PolarHBondContact O-N 3.22Å; T135-L137 WeakPolarHBondContact O-CD1 3.13Å; T135-L137 PolarHBondContact O-N 2.62Å; T135-L137 VanDerWaalsContact O-N 3.12Å
136D46.8Very low52Low118 Ų11889.3 Ų89.363%0.63150%0.495SS*.  trans-71.6100.5169.8-144.6-38.3000107.5K134 S138K134-D136 PolarHBondContact O-N 3.32Å; D136-S138 PolarHBondContact O-N 2.97Å; D136-S138 WeakPolarHBondContact OD1-CB 3.3Å; D136-S138 PolarHBondContact OD1-OG 3.43Å
137L52.1Low50.9Low48 Ų4892.8 Ų92.825%0.25150%0.504SS..G310 helixtrans-75.21.8178.8-91.387.6000112.7T135 E139 H140 T141 L144 F187T135-L137 WeakPolarHBondContact O-CD1 3.13Å; T135-L137 PolarHBondContact O-N 2.62Å; T135-L137 VanDerWaalsContact O-N 3.12Å; L137-E139 VanDerWaalsContact C-N 3.28Å; L137-E139 PolarHBondContact O-N 2.87Å; L137-H140 CarbonylContact O-C 3.59Å; L137-H140 WeakPolarHBondContact O-CA 3.46Å; L137-H140 PolarHBondContact O-N 3.03Å; L137-T141 PolarHBondContact O-N 3.16Å; L137-L144 HydrophobicContact CD2-CD1 3.95Å; L137-F187 HydrophobicContact CB-CD2 4.43Å; L137-F187 HydrophobicContact CB-CE2 4.23Å; L137-F187 HydrophobicContact CD1-CE2 4.39Å
138S46.4Very low50.2Low66 Ų6691.6 Ų91.646%0.46250%0.498SS..G310 helixtrans-58.6-36.7-175.856.90000112.9D136 H140 T141D136-S138 PolarHBondContact O-N 2.97Å; D136-S138 WeakPolarHBondContact OD1-CB 3.3Å; D136-S138 PolarHBondContact OD1-OG 3.43Å; S138-H140 VanDerWaalsContact C-N 3.29Å; S138-H140 PolarHBondContact O-N 2.94Å; S138-T141 WeakPolarHBondContact CA-OG1 3.15Å; S138-T141 WeakPolarHBondContact O-CB 3.38Å; S138-T141 PolarHBondContact O-N 3.33Å; S138-T141 PolarHBondContact O-OG1 2.89Å
139E46.9Very low49.8Very low170 Ų17091.3 Ų91.379%0.79450%0.5SS*.G310 helixtrans-71.6-22175.3-66.2-169.6163.300113.5L137L137-E139 VanDerWaalsContact C-N 3.28Å; L137-E139 PolarHBondContact O-N 2.87Å
140H51.8Low49.2Very low115 Ų11589.5 Ų89.553%0.53250%0.498SS..G310 helixtrans-96.44.3178.4-63.6-51.3000113.4L137 S138 S142 A143 L144L137-H140 CarbonylContact O-C 3.59Å; L137-H140 WeakPolarHBondContact O-CA 3.46Å; L137-H140 PolarHBondContact O-N 3.03Å; S138-H140 VanDerWaalsContact C-N 3.29Å; S138-H140 PolarHBondContact O-N 2.94Å; H140-S142 PolarHBondContact O-N 2.99Å; H140-S142 VanDerWaalsContact O-N 3.13Å; H140-A143 PolarHBondContact O-N 3.22Å; H140-A143 VanDerWaalsContact O-N 3.15Å; H140-L144 WeakPolarHBondContact O-CB 3.28Å; H140-L144 PolarHBondContact O-N 3.25Å
141T45.8Very low48.8Very low50 Ų5089.9 Ų89.931%0.30749%0.487SS..Hα-helixtrans-52.7-39.3-178.3-52.10000111.9L137 S138 I145L137-T141 PolarHBondContact O-N 3.16Å; S138-T141 WeakPolarHBondContact CA-OG1 3.15Å; S138-T141 WeakPolarHBondContact O-CB 3.38Å; S138-T141 PolarHBondContact O-N 3.33Å; S138-T141 PolarHBondContact O-OG1 2.89Å; T141-I145 HydrophobicContact CG2-CD1 3.95Å; T141-I145 HydrophobicContact CG2-CG1 4.49Å; T141-I145 WeakPolarHBondContact O-CB 3.3Å; T141-I145 WeakPolarHBondContact O-CD1 3.41Å; T141-I145 WeakPolarHBondContact O-CG1 3.43Å; T141-I145 PolarHBondContact O-N 2.84Å
142S46.2Very low48.6Very low79 Ų7986.2 Ų86.255%0.55247%0.47SS*.Hα-helixtrans-70.2-48.3178.6570000113H140 L144 I145 I146H140-S142 PolarHBondContact O-N 2.99Å; H140-S142 VanDerWaalsContact O-N 3.13Å; S142-L144 PolarHBondContact O-N 3.25Å; S142-I145 PolarHBondContact O-N 2.99Å; S142-I146 VanDerWaalsContact O-CG1 3.3Å; S142-I146 WeakPolarHBondContact O-CG1 3.36Å; S142-I146 PolarHBondContact O-N 2.65Å
143A48.8Very low48.7Very low56 Ų5687.7 Ų87.746%0.46347%0.467SS..Hα-helixtrans-58-35.6175.600000111.2H140 I146 Y147H140-A143 PolarHBondContact O-N 3.22Å; H140-A143 VanDerWaalsContact O-N 3.15Å; A143-I146 PolarHBondContact O-N 3.34Å; A143-Y147 WeakPolarHBondContact O-CB 3.07Å; A143-Y147 PolarHBondContact O-N 3Å
144L45.8Very low48.6Very low23 Ų2388.3 Ų88.312%0.1247%0.47CS..Hα-helixtrans-81.2-34-177.8-178.2136.6000112.9L137 H140 S142 I146 Y147 C148 Y185L137-L144 HydrophobicContact CD2-CD1 3.95Å; H140-L144 WeakPolarHBondContact O-CB 3.28Å; H140-L144 PolarHBondContact O-N 3.25Å; S142-L144 PolarHBondContact O-N 3.25Å; L144-I146 VanDerWaalsContact C-N 3.3Å; L144-Y147 PolarHBondContact O-N 2.95Å; L144-C148 VanDerWaalsContact O-CB 3.29Å; L144-C148 WeakPolarHBondContact O-CB 3.49Å; L144-C148 PolarHBondContact O-N 3.23Å; L144-C148 PolarHBondContact O-SG 2.95Å; L144-C148 VanDerWaalsContact O-SG 3.35Å; L144-Y185 HydrophobicContact CD1-CD1 3.32Å; L144-Y185 HydrophobicContact CD1-CD2 4.26Å; L144-Y185 HydrophobicContact CD1-CE1 3.16Å; L144-Y185 HydrophobicContact CD1-CE2 4.09Å; L144-Y185 HydrophobicContact CD1-CG 3.89Å; L144-Y185 HydrophobicContact CD2-CD1 3.39Å; L144-Y185 HydrophobicContact CD2-CD2 3.44Å; L144-Y185 VanDerWaalsContact CD2-CD2 3.44Å; L144-Y185 HydrophobicContact CD2-CE1 4.06Å; L144-Y185 HydrophobicContact CD2-CE2 4.06Å; L144-Y185 HydrophobicContact CD2-CG 3.02Å; L144-Y185 HydrophobicContact CG-CD1 3.84Å; L144-Y185 HydrophobicContact CG-CD2 4.07Å; L144-Y185 HydrophobicContact CG-CE1 4.02Å; L144-Y185 HydrophobicContact CG-CE2 4.18Å; L144-Y185 HydrophobicContact CG-CG 3.87Å
145I48Very low48.9Very low105 Ų10579.2 Ų79.254%0.53843%0.432SS..Hα-helixtrans-61.2-41.4165.9-72.8163.7000110.4T141 S142 C148 A149T141-I145 HydrophobicContact CG2-CD1 3.95Å; T141-I145 HydrophobicContact CG2-CG1 4.49Å; T141-I145 WeakPolarHBondContact O-CB 3.3Å; T141-I145 WeakPolarHBondContact O-CD1 3.41Å; T141-I145 WeakPolarHBondContact O-CG1 3.43Å; T141-I145 PolarHBondContact O-N 2.84Å; S142-I145 PolarHBondContact O-N 2.99Å; I145-C148 WeakPolarHBondContact O-CB 3.3Å; I145-C148 PolarHBondContact O-N 3.42Å; I145-A149 WeakPolarHBondContact O-CB 3.44Å; I145-A149 PolarHBondContact O-N 3.46Å
146I54.5Low49Very low118 Ų11877.9 Ų77.961%0.60542%0.423SS*.Hα-helixtrans-64.5-43.6176-67.6164.9000110.6S142 A143 L144 A149 A150S142-I146 VanDerWaalsContact O-CG1 3.3Å; S142-I146 WeakPolarHBondContact O-CG1 3.36Å; S142-I146 PolarHBondContact O-N 2.65Å; A143-I146 PolarHBondContact O-N 3.34Å; L144-I146 VanDerWaalsContact C-N 3.3Å; I146-A149 PolarHBondContact O-N 3.46Å; I146-A150 WeakPolarHBondContact O-CB 3.39Å; I146-A150 PolarHBondContact O-N 3.4Å
147Y48.1Very low49.3Very low144 Ų14476.1 Ų76.157%0.56542%0.416SS*.Hα-helixtrans-59.2-49174.4-179.7-92.5000111.3A143 L144 A149 A150 E151A143-Y147 WeakPolarHBondContact O-CB 3.07Å; A143-Y147 PolarHBondContact O-N 3Å; L144-Y147 PolarHBondContact O-N 2.95Å; Y147-A149 VanDerWaalsContact C-N 3.34Å; Y147-A149 PolarHBondContact O-N 2.96Å; Y147-A150 PolarHBondContact O-N 3.43Å; Y147-E151 WeakPolarHBondContact CE1-OE2 3.3Å; Y147-E151 WeakPolarHBondContact O-CB 3.42Å; Y147-E151 PolarHBondContact O-N 3.49Å
148C47.5Very low49.4Very low10 Ų1076.2 Ų76.27%0.06842%0.419CS..Hα-helixtrans-57-43.4174.3-81.50000112.7L144 I145 E151 L152 N182L144-C148 VanDerWaalsContact O-CB 3.29Å; L144-C148 WeakPolarHBondContact O-CB 3.49Å; L144-C148 PolarHBondContact O-N 3.23Å; L144-C148 PolarHBondContact O-SG 2.95Å; L144-C148 VanDerWaalsContact O-SG 3.35Å; I145-C148 WeakPolarHBondContact O-CB 3.3Å; I145-C148 PolarHBondContact O-N 3.42Å; C148-E151 PolarHBondContact O-N 3.47Å; C148-L152 WeakPolarHBondContact O-CB 3.28Å; C148-L152 WeakPolarHBondContact O-CG 3.27Å; C148-L152 PolarHBondContact O-N 3.14Å; C148-N182 WeakPolarHBondContact CA-OD1 3.28Å; C148-N182 WeakPolarHBondContact CB-OD1 3.35Å; C148-N182 PolarHBondContact O-OD1 3.3Å; C148-N182 PolarHBondContact SG-OD1 3.38Å
149A48.1Very low49.6Very low54 Ų5476.1 Ų76.145%0.44641%0.411SS..Hα-helixtrans-68.2-38.3176.900000112.6I145 I146 Y147 L152 F153I145-A149 WeakPolarHBondContact O-CB 3.44Å; I145-A149 PolarHBondContact O-N 3.46Å; I146-A149 PolarHBondContact O-N 3.46Å; Y147-A149 VanDerWaalsContact C-N 3.34Å; Y147-A149 PolarHBondContact O-N 2.96Å; A149-L152 WeakPolarHBondContact O-CB 3.1Å; A149-L152 PolarHBondContact O-N 2.69Å; A149-F153 WeakPolarHBondContact O-CB 3.46Å; A149-F153 PolarHBondContact O-N 3.35Å
150A48.8Very low49.8Very low46 Ų4671.4 Ų71.438%0.3839%0.393SS..Hα-helixtrans-67.3-41.4174.500000111.2I146 Y147 F153 I154I146-A150 WeakPolarHBondContact O-CB 3.39Å; I146-A150 PolarHBondContact O-N 3.4Å; Y147-A150 PolarHBondContact O-N 3.43Å; A150-F153 PolarHBondContact O-N 2.83Å; A150-I154 WeakPolarHBondContact O-CB 3.48Å; A150-I154 VanDerWaalsContact O-CG1 3.24Å; A150-I154 WeakPolarHBondContact O-CG1 3Å; A150-I154 PolarHBondContact O-N 2.96Å
151E50Low49.6Very low54 Ų5467.7 Ų67.725%0.25239%0.387SS..Hα-helixtrans-61.5-45.1173-159.6-178.517200110.1Y147 C148 F153 I154 T155Y147-E151 WeakPolarHBondContact CE1-OE2 3.3Å; Y147-E151 WeakPolarHBondContact O-CB 3.42Å; Y147-E151 PolarHBondContact O-N 3.49Å; C148-E151 PolarHBondContact O-N 3.47Å; E151-F153 VanDerWaalsContact C-N 3.32Å; E151-F153 PolarHBondContact O-N 3.28Å; E151-I154 PolarHBondContact O-N 3.17Å; E151-T155 HydrophobicContact CG-CG2 4.41Å; E151-T155 WeakPolarHBondContact O-CB 2.76Å; E151-T155 WeakPolarHBondContact O-CG2 3.29Å; E151-T155 PolarHBondContact O-N 3.33Å; E151-T155 PolarHBondContact O-OG1 3.4Å
152L49Very low49.9Very low53 Ų5366.8 Ų66.828%0.27738%0.379SS..Hα-helixtrans-54.6-45.3171.4-78.4164.7000112.8C148 A149 T155 T156 T178 F179 N182C148-L152 WeakPolarHBondContact O-CB 3.28Å; C148-L152 WeakPolarHBondContact O-CG 3.27Å; C148-L152 PolarHBondContact O-N 3.14Å; A149-L152 WeakPolarHBondContact O-CB 3.1Å; A149-L152 PolarHBondContact O-N 2.69Å; L152-T155 PolarHBondContact O-OG1 3.46Å; L152-T155 VanDerWaalsContact O-OG1 3.12Å; L152-T156 WeakPolarHBondContact O-CB 2.93Å; L152-T156 PolarHBondContact O-N 2.79Å; L152-T156 PolarHBondContact O-OG1 3.25Å; L152-T178 HydrophobicContact CB-CG2 4.38Å; L152-T178 HydrophobicContact CD2-CG2 3.57Å; L152-T178 HydrophobicContact CG-CG2 4.1Å; L152-F179 HydrophobicContact CD2-CD1 4.1Å; L152-F179 HydrophobicContact CD2-CE1 4.04Å; L152-N182 HydrophobicContact CD1-CB 4.31Å; L152-N182 VanDerWaalsContact CD2-ND2 3.34Å; L152-N182 WeakPolarHBondContact CD2-ND2 3.42Å; L152-N182 HydrophobicContact CG-CB 4.45Å; L152-N182 WeakPolarHBondContact CG-ND2 3Å
153F52.3Low50.1Low147 Ų14766 Ų6665%0.64537%0.368SS*.Hα-helixtrans-67-50.8-179.4-177.6-97.8000111.3A149 A150 E151 T155 T156 V157A149-F153 WeakPolarHBondContact O-CB 3.46Å; A149-F153 PolarHBondContact O-N 3.35Å; A150-F153 PolarHBondContact O-N 2.83Å; E151-F153 VanDerWaalsContact C-N 3.32Å; E151-F153 PolarHBondContact O-N 3.28Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 2.84Å; F153-T156 PolarHBondContact O-N 3.41Å; F153-V157 HydrophobicContact CD1-CG2 4.26Å; F153-V157 HydrophobicContact CE1-CG2 3.9Å; F153-V157 HydrophobicContact CE2-CG2 4.44Å; F153-V157 HydrophobicContact CZ-CG2 4Å; F153-V157 VanDerWaalsContact O-CG2 3.3Å; F153-V157 WeakPolarHBondContact O-CG2 3.2Å; F153-V157 PolarHBondContact O-N 2.85Å
154I51.5Low50.4Low102 Ų10269.9 Ų69.952%0.52338%0.38SS..Hα-helixtrans-58-47.2-179.1-70.4165.3000110.2A150 E151 V157 V158A150-I154 WeakPolarHBondContact O-CB 3.48Å; A150-I154 VanDerWaalsContact O-CG1 3.24Å; A150-I154 WeakPolarHBondContact O-CG1 3Å; A150-I154 PolarHBondContact O-N 2.96Å; E151-I154 PolarHBondContact O-N 3.17Å; I154-V157 WeakPolarHBondContact O-CB 3.34Å; I154-V157 PolarHBondContact O-N 3.42Å; I154-V158 HydrophobicContact CG2-CG2 4.4Å; I154-V158 VanDerWaalsContact O-CG2 3.28Å; I154-V158 WeakPolarHBondContact O-CG2 3.41Å; I154-V158 PolarHBondContact O-N 3.22Å
155T50.8Low50.7Low12 Ų1271.3 Ų71.37%0.07440%0.395CS..Hα-helixtrans-75.6-27.7-177.760.70000113E151 L152 F153 V157 V158 F159 F174 T178E151-T155 HydrophobicContact CG-CG2 4.41Å; E151-T155 WeakPolarHBondContact O-CB 2.76Å; E151-T155 WeakPolarHBondContact O-CG2 3.29Å; E151-T155 PolarHBondContact O-N 3.33Å; E151-T155 PolarHBondContact O-OG1 3.4Å; L152-T155 PolarHBondContact O-OG1 3.46Å; L152-T155 VanDerWaalsContact O-OG1 3.12Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 2.84Å; T155-V157 VanDerWaalsContact C-N 3.31Å; T155-V158 PolarHBondContact O-N 2.63Å; T155-F159 WeakPolarHBondContact O-CA 3.34Å; T155-F159 WeakPolarHBondContact O-CB 3.47Å; T155-F159 PolarHBondContact O-N 2.83Å; T155-F174 HydrophobicContact CG2-CD1 4.24Å; T155-F174 HydrophobicContact CG2-CE1 4.18Å; T155-T178 WeakPolarHBondContact CB-OG1 3.33Å; T155-T178 HydrophobicContact CG2-CG2 3.87Å; T155-T178 WeakPolarHBondContact CG2-OG1 3.22Å; T155-T178 VanDerWaalsContact OG1-CB 3.24Å; T155-T178 WeakPolarHBondContact OG1-CB 3.46Å; T155-T178 WeakPolarHBondContact OG1-CG2 3.48Å; T155-T178 PolarHBondContact OG1-OG1 3.46Å
156T49.1Very low51Low66 Ų6672 Ų7241%0.40540%0.399SS..Hα-helixtrans-65.6-39169-60.40000110.2L152 F153 T160L152-T156 WeakPolarHBondContact O-CB 2.93Å; L152-T156 PolarHBondContact O-N 2.79Å; L152-T156 PolarHBondContact O-OG1 3.25Å; F153-T156 PolarHBondContact O-N 3.41Å; T156-T160 WeakPolarHBondContact O-CB 3.49Å; T156-T160 PolarHBondContact O-N 3.45Å; T156-T160 PolarHBondContact O-OG1 3.3Å
157V53Low51Low80 Ų8071.7 Ų71.749%0.48540%0.395SS..Hα-helixtrans-64.8-46.3173.3171.10000110.6F153 I154 T155 T160 G161F153-V157 HydrophobicContact CD1-CG2 4.26Å; F153-V157 HydrophobicContact CE1-CG2 3.9Å; F153-V157 HydrophobicContact CE2-CG2 4.44Å; F153-V157 HydrophobicContact CZ-CG2 4Å; F153-V157 VanDerWaalsContact O-CG2 3.3Å; F153-V157 WeakPolarHBondContact O-CG2 3.2Å; F153-V157 PolarHBondContact O-N 2.85Å; I154-V157 WeakPolarHBondContact O-CB 3.34Å; I154-V157 PolarHBondContact O-N 3.42Å; T155-V157 VanDerWaalsContact C-N 3.31Å; V157-T160 PolarHBondContact O-N 3.21Å; V157-G161 PolarHBondContact O-N 2.92Å
158V54.4Low51.1Low51 Ų5169.5 Ų69.531%0.30939%0.389SS..Hα-helixtrans-64-42.2176.4173.50000111.1I154 T155 G161 L162 F174I154-V158 HydrophobicContact CG2-CG2 4.4Å; I154-V158 VanDerWaalsContact O-CG2 3.28Å; I154-V158 WeakPolarHBondContact O-CG2 3.41Å; I154-V158 PolarHBondContact O-N 3.22Å; T155-V158 PolarHBondContact O-N 2.63Å; V158-G161 PolarHBondContact O-N 2.86Å; V158-L162 HydrophobicContact CG1-CD1 3.68Å; V158-L162 HydrophobicContact CG1-CG 4.19Å; V158-L162 WeakPolarHBondContact O-CB 3.35Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 3.45Å; V158-F174 HydrophobicContact CB-CD1 4.02Å; V158-F174 HydrophobicContact CB-CE1 4.13Å; V158-F174 HydrophobicContact CG1-CD1 3.54Å; V158-F174 HydrophobicContact CG1-CD2 4.31Å; V158-F174 HydrophobicContact CG1-CE1 3.66Å; V158-F174 HydrophobicContact CG1-CE2 4.42Å; V158-F174 HydrophobicContact CG1-CG 3.88Å; V158-F174 HydrophobicContact CG1-CZ 4.11Å; V158-F174 HydrophobicContact CG2-CE1 4.46Å
159F50.9Low51.1Low64 Ų6474.4 Ų74.428%0.28141%0.409SS..Hα-helixtrans-57.1-50.9173.7176.9-88.6000110.7T155 G161 L162 M163 A171T155-F159 WeakPolarHBondContact O-CA 3.34Å; T155-F159 WeakPolarHBondContact O-CB 3.47Å; T155-F159 PolarHBondContact O-N 2.83Å; F159-G161 VanDerWaalsContact C-N 3.34Å; F159-G161 PolarHBondContact O-N 2.87Å; F159-L162 PolarHBondContact O-N 3.14Å; F159-M163 HydrophobicContact CD1-CG 3.99Å; F159-M163 HydrophobicContact CE1-CG 3.61Å; F159-M163 HydrophobicContact CE1-SD 4.4Å; F159-M163 HydrophobicContact CE2-CG 4.47Å; F159-M163 HydrophobicContact CZ-CG 3.85Å; F159-M163 HydrophobicContact CZ-SD 4.08Å; F159-M163 WeakPolarHBondContact O-CB 3.42Å; F159-M163 VanDerWaalsContact O-CG 3.27Å; F159-M163 WeakPolarHBondContact O-CG 3.2Å; F159-M163 PolarHBondContact O-N 2.9Å; F159-A171 HydrophobicContact CD2-CB 4.09Å; F159-A171 WeakPolarHBondContact CD2-O 3.26Å; F159-A171 HydrophobicContact CE2-CB 4.14Å; F159-A171 WeakPolarHBondContact CE2-O 3.43Å
160T51.3Low51.2Low70 Ų7075 Ų7543%0.42940%0.404SS..Hα-helixtrans-62.8-42.9179.8-54.40000110.6T156 V157 M163 I164T156-T160 WeakPolarHBondContact O-CB 3.49Å; T156-T160 PolarHBondContact O-N 3.45Å; T156-T160 PolarHBondContact O-OG1 3.3Å; V157-T160 PolarHBondContact O-N 3.21Å; T160-M163 PolarHBondContact O-N 3.27Å; T160-I164 HydrophobicContact CG2-CD1 3.98Å; T160-I164 WeakPolarHBondContact O-CD1 3.21Å; T160-I164 VanDerWaalsContact O-CG1 3.23Å; T160-I164 WeakPolarHBondContact O-CG1 3.44Å; T160-I164 PolarHBondContact O-N 3.43Å
161G47.7Very low51Low38 Ų3872.9 Ų72.939%0.39239%0.386SS..Hα-helixtrans-61.7-43.517500000113.1V157 V158 F159 I164 A165V157-G161 PolarHBondContact O-N 2.92Å; V158-G161 PolarHBondContact O-N 2.86Å; F159-G161 VanDerWaalsContact C-N 3.34Å; F159-G161 PolarHBondContact O-N 2.87Å; G161-I164 PolarHBondContact O-N 3.36Å; G161-A165 WeakPolarHBondContact O-CB 3.3Å; G161-A165 PolarHBondContact O-N 2.95Å
162L51Low50.8Low30 Ų3071.1 Ų71.116%0.15738%0.378CS..Hα-helixtrans-69.5-32.6177.2-71.3169.4000112.5V158 F159 H167 L170 A171 F174V158-L162 HydrophobicContact CG1-CD1 3.68Å; V158-L162 HydrophobicContact CG1-CG 4.19Å; V158-L162 WeakPolarHBondContact O-CB 3.35Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 3.45Å; F159-L162 PolarHBondContact O-N 3.14Å; L162-H167 HydrophobicContact CD2-CB 4.1Å; L162-H167 CarbonylContact O-C 3.53Å; L162-H167 PolarHBondContact O-N 3.06Å; L162-L170 HydrophobicContact CD1-CB 4.39Å; L162-L170 HydrophobicContact CD1-CD2 3.97Å; L162-L170 HydrophobicContact CD2-CB 4.34Å; L162-L170 HydrophobicContact CD2-CD2 4.1Å; L162-A171 HydrophobicContact CB-CB 3.51Å; L162-F174 HydrophobicContact CD1-CB 4.05Å; L162-F174 HydrophobicContact CD1-CD2 4.25Å; L162-F174 HydrophobicContact CD1-CG 4.23Å
163M51.2Low50.7Low64 Ų6468.8 Ų68.832%0.31537%0.367SS..Hα-helixtrans-67.2-40.3172.4-73.7-62.7-75.500111.7F159 T160 K168 A171F159-M163 HydrophobicContact CD1-CG 3.99Å; F159-M163 HydrophobicContact CE1-CG 3.61Å; F159-M163 HydrophobicContact CE1-SD 4.4Å; F159-M163 HydrophobicContact CE2-CG 4.47Å; F159-M163 HydrophobicContact CZ-CG 3.85Å; F159-M163 HydrophobicContact CZ-SD 4.08Å; F159-M163 WeakPolarHBondContact O-CB 3.42Å; F159-M163 VanDerWaalsContact O-CG 3.27Å; F159-M163 WeakPolarHBondContact O-CG 3.2Å; F159-M163 PolarHBondContact O-N 2.9Å; T160-M163 PolarHBondContact O-N 3.27Å; M163-K168 HydrophobicContact SD-CB 4.36Å; M163-K168 HydrophobicContact SD-CG 4.17Å; M163-A171 HydrophobicContact CG-CB 3.64Å; M163-A171 HydrophobicContact SD-CB 3.6Å
164I55.9Low50.3Low137 Ų13765.3 Ų65.370%0.70335%0.351SS*.Hα-helixtrans-68.7-36176.9-67.5164.4000111T160 G161 D166T160-I164 HydrophobicContact CG2-CD1 3.98Å; T160-I164 WeakPolarHBondContact O-CD1 3.21Å; T160-I164 VanDerWaalsContact O-CG1 3.23Å; T160-I164 WeakPolarHBondContact O-CG1 3.44Å; T160-I164 PolarHBondContact O-N 3.43Å; G161-I164 PolarHBondContact O-N 3.36Å; I164-D166 PolarHBondContact O-N 3.14Å
165A51.2Low49.9Very low53 Ų5360.8 Ų60.844%0.43833%0.33SS..THydrogen-bonded Turntrans-79.614.7179.600000114.5G161 H167G161-A165 WeakPolarHBondContact O-CB 3.3Å; G161-A165 PolarHBondContact O-N 2.95Å; A165-H167 PolarHBondContact O-CD2 3.25Å; A165-H167 PolarHBondContact O-N 3.3Å
166D54.1Low49.6Very low119 Ų11960.7 Ų60.764%0.63633%0.329SS*.THydrogen-bonded Turntrans5511.3-174.8-98.6-31.8000115.5I164 K168I164-D166 PolarHBondContact O-N 3.14Å; D166-K168 PolarHBondContact O-N 2.85Å; D166-K168 WeakPolarHBondContact OD1-CE 3.41Å; D166-K168 IonicContact OD1-NZ 2.95Å; D166-K168 PolarHBondContact OD1-NZ 3.22Å
167H54Low49.5Very low111 Ų11159.4 Ų59.451%0.51432%0.319SS..  trans-8347.1172.1-66.5-56.8000111.5L162 A165 K169 L170 A171L162-H167 HydrophobicContact CD2-CB 4.1Å; L162-H167 CarbonylContact O-C 3.53Å; L162-H167 PolarHBondContact O-N 3.06Å; A165-H167 PolarHBondContact O-CD2 3.25Å; A165-H167 PolarHBondContact O-N 3.3Å; H167-K169 PolarHBondContact O-N 2.9Å; H167-K169 VanDerWaalsContact O-N 3.09Å; H167-L170 HydrophobicContact CB-CB 4.13Å; H167-L170 WeakPolarHBondContact O-CA 3.34Å; H167-L170 WeakPolarHBondContact O-CB 3.49Å; H167-L170 PolarHBondContact O-N 3Å; H167-A171 PolarHBondContact O-N 2.86Å
168K51.8Low49.2Very low99 Ų9955.7 Ų55.743%0.4330%0.297SS..Hα-helixtrans-54.3-35.4-172.2-64.6175.3-177.7157.10113.5M163 D166 L170 I172M163-K168 HydrophobicContact SD-CB 4.36Å; M163-K168 HydrophobicContact SD-CG 4.17Å; D166-K168 PolarHBondContact O-N 2.85Å; D166-K168 WeakPolarHBondContact OD1-CE 3.41Å; D166-K168 IonicContact OD1-NZ 2.95Å; D166-K168 PolarHBondContact OD1-NZ 3.22Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.88Å; K168-I172 WeakPolarHBondContact O-CD1 3.5Å; K168-I172 WeakPolarHBondContact O-CG1 3.48Å; K168-I172 PolarHBondContact O-N 3.22Å
169K47.4Very low48.5Very low113 Ų11358.1 Ų58.149%0.49130%0.304SS..Hα-helixtrans-64.5-39176.1-65.2-177.9-179.6178.20112.4H167 G173H167-K169 PolarHBondContact O-N 2.9Å; H167-K169 VanDerWaalsContact O-N 3.09Å; K169-G173 PolarHBondContact O-N 2.94Å
170L49.7Very low48.1Very low67 Ų6755.6 Ų55.635%0.35130%0.296SS..Hα-helixtrans-77.5-38.1-178.5-131.4137.7000110.6L162 H167 K168 G173 F174 V211L162-L170 HydrophobicContact CD1-CB 4.39Å; L162-L170 HydrophobicContact CD1-CD2 3.97Å; L162-L170 HydrophobicContact CD2-CB 4.34Å; L162-L170 HydrophobicContact CD2-CD2 4.1Å; H167-L170 HydrophobicContact CB-CB 4.13Å; H167-L170 WeakPolarHBondContact O-CA 3.34Å; H167-L170 WeakPolarHBondContact O-CB 3.49Å; H167-L170 PolarHBondContact O-N 3Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.88Å; L170-G173 PolarHBondContact O-N 3.38Å; L170-F174 PolarHBondContact O-N 3.38Å; L170-V211 HydrophobicContact CD1-CG1 4.14Å; L170-V211 HydrophobicContact CD2-CG1 4.11Å; L170-V211 HydrophobicContact CG-CG1 3.84Å
171A45.4Very low47.8Very low0 Ų053.8 Ų53.80%029%0.285CS..Hα-helixtrans-57.4-53.517200000111.2F159 L162 M163 H167 G173 F174 G175F159-A171 HydrophobicContact CD2-CB 4.09Å; F159-A171 WeakPolarHBondContact CD2-O 3.26Å; F159-A171 HydrophobicContact CE2-CB 4.14Å; F159-A171 WeakPolarHBondContact CE2-O 3.43Å; L162-A171 HydrophobicContact CB-CB 3.51Å; M163-A171 HydrophobicContact CG-CB 3.64Å; M163-A171 HydrophobicContact SD-CB 3.6Å; H167-A171 PolarHBondContact O-N 2.86Å; A171-G173 VanDerWaalsContact C-N 3.28Å; A171-G173 PolarHBondContact O-N 3.34Å; A171-F174 PolarHBondContact O-N 3.43Å; A171-G175 PolarHBondContact O-N 3.42Å
172I46Very low47.5Very low18 Ų1853.7 Ų53.79%0.09228%0.275CS..Hα-helixtrans-56.4-43.3-179.3-66.1165.7000111.3T58 K168 Q176T58-I172 HydrophobicContact CG2-CG2 3.67Å; K168-I172 WeakPolarHBondContact O-CD1 3.5Å; K168-I172 WeakPolarHBondContact O-CG1 3.48Å; K168-I172 PolarHBondContact O-N 3.22Å; I172-Q176 WeakPolarHBondContact O-CB 3.21Å; I172-Q176 VanDerWaalsContact O-CG 3.24Å; I172-Q176 WeakPolarHBondContact O-CG 3.5Å; I172-Q176 PolarHBondContact O-N 3.18Å; I172-Q176 PolarHBondContact O-OE1 3.11Å
173G45.3Very low47.2Very low3 Ų353.4 Ų53.43%0.03127%0.274CS..Hα-helixtrans-62.3-41.3174.700000113.8K169 L170 A171 Q176 L177 V207K169-G173 PolarHBondContact O-N 2.94Å; L170-G173 PolarHBondContact O-N 3.38Å; A171-G173 VanDerWaalsContact C-N 3.28Å; A171-G173 PolarHBondContact O-N 3.34Å; G173-Q176 PolarHBondContact O-N 2.83Å; G173-L177 PolarHBondContact O-N 3.32Å; G173-L177 VanDerWaalsContact O-N 3.14Å; G173-V207 WeakPolarHBondContact O-CG1 3.43Å
174F45.5Very low46.9Very low74 Ų7451.4 Ų51.433%0.32527%0.266SS..Hα-helixtrans-70.3-40.2179.8-128.3-89.2000113.3T155 V158 L162 L170 A171 Q176 L177 T178T155-F174 HydrophobicContact CG2-CD1 4.24Å; T155-F174 HydrophobicContact CG2-CE1 4.18Å; V158-F174 HydrophobicContact CB-CD1 4.02Å; V158-F174 HydrophobicContact CB-CE1 4.13Å; V158-F174 HydrophobicContact CG1-CD1 3.54Å; V158-F174 HydrophobicContact CG1-CD2 4.31Å; V158-F174 HydrophobicContact CG1-CE1 3.66Å; V158-F174 HydrophobicContact CG1-CE2 4.42Å; V158-F174 HydrophobicContact CG1-CG 3.88Å; V158-F174 HydrophobicContact CG1-CZ 4.11Å; V158-F174 HydrophobicContact CG2-CE1 4.46Å; L162-F174 HydrophobicContact CD1-CB 4.05Å; L162-F174 HydrophobicContact CD1-CD2 4.25Å; L162-F174 HydrophobicContact CD1-CG 4.23Å; L170-F174 PolarHBondContact O-N 3.38Å; A171-F174 PolarHBondContact O-N 3.43Å; F174-Q176 PolarHBondContact O-N 2.85Å; F174-L177 WeakPolarHBondContact O-CB 3.31Å; F174-L177 PolarHBondContact O-N 3.3Å; F174-T178 PolarHBondContact O-OG1 3Å
175G41.2Very low46.3Very low8 Ų849.5 Ų49.58%0.08225%0.25CS..Hα-helixtrans-61.1-38.4175.500000111.5A171 T178 F179A171-G175 PolarHBondContact O-N 3.42Å; G175-T178 WeakPolarHBondContact O-CB 3.26Å; G175-T178 PolarHBondContact O-N 2.83Å; G175-F179 WeakPolarHBondContact O-CD2 3.29Å; G175-F179 PolarHBondContact O-N 3.17Å
176Q45.8Very low45.7Very low10 Ų1050.1 Ų50.15%0.04725%0.249CC..Hα-helixtrans-72.8-37.6-178.8-76.6-176.7-49.900114.5A99 S103 I172 G173 F174 T178 F179 G180A99-Q176 PolarHBondContact O-NE2 2.82Å; A99-Q176 VanDerWaalsContact O-NE2 3.1Å; S103-Q176 PolarHBondContact OG-OE1 3.1Å; I172-Q176 WeakPolarHBondContact O-CB 3.21Å; I172-Q176 VanDerWaalsContact O-CG 3.24Å; I172-Q176 WeakPolarHBondContact O-CG 3.5Å; I172-Q176 PolarHBondContact O-N 3.18Å; I172-Q176 PolarHBondContact O-OE1 3.11Å; G173-Q176 PolarHBondContact O-N 2.83Å; F174-Q176 PolarHBondContact O-N 2.85Å; Q176-T178 PolarHBondContact O-N 3.15Å; Q176-F179 PolarHBondContact O-N 2.92Å; Q176-G180 PolarHBondContact O-N 3.48Å; Q176-G180 VanDerWaalsContact O-N 3.15Å
177L46.6Very low45.1Very low38 Ų3851.8 Ų51.820%0.19925%0.251CS..Hα-helixtrans-50.4-39170.9-114.4155000111.5G173 F174 T181 T208G173-L177 PolarHBondContact O-N 3.32Å; G173-L177 VanDerWaalsContact O-N 3.14Å; F174-L177 WeakPolarHBondContact O-CB 3.31Å; F174-L177 PolarHBondContact O-N 3.3Å; L177-T181 WeakPolarHBondContact O-CG2 3.12Å; L177-T181 PolarHBondContact O-N 2.86Å; L177-T181 PolarHBondContact O-OG1 3.3Å; L177-T208 WeakPolarHBondContact CD1-OG1 3.43Å; L177-T208 WeakPolarHBondContact CD2-OG1 3.47Å
178T47Very low44.7Very low2 Ų248 Ų481%0.01223%0.234CC..Hα-helixtrans-82-47.1-173-43.60000112.8L152 T155 F174 G175 Q176 G180 T181 N182L152-T178 HydrophobicContact CB-CG2 4.38Å; L152-T178 HydrophobicContact CD2-CG2 3.57Å; L152-T178 HydrophobicContact CG-CG2 4.1Å; T155-T178 WeakPolarHBondContact CB-OG1 3.33Å; T155-T178 HydrophobicContact CG2-CG2 3.87Å; T155-T178 WeakPolarHBondContact CG2-OG1 3.22Å; T155-T178 VanDerWaalsContact OG1-CB 3.24Å; T155-T178 WeakPolarHBondContact OG1-CB 3.46Å; T155-T178 WeakPolarHBondContact OG1-CG2 3.48Å; T155-T178 PolarHBondContact OG1-OG1 3.46Å; F174-T178 PolarHBondContact O-OG1 3Å; G175-T178 WeakPolarHBondContact O-CB 3.26Å; G175-T178 PolarHBondContact O-N 2.83Å; Q176-T178 PolarHBondContact O-N 3.15Å; T178-G180 PolarHBondContact O-N 3.28Å; T178-T181 PolarHBondContact O-N 2.94Å; T178-T181 PolarHBondContact O-OG1 2.98Å; T178-N182 PolarHBondContact O-ND2 3.48Å
179F40.2Very low44.9Very low103 Ų10348.2 Ų48.245%0.45225%0.246SC..Hα-helixtrans-67.6-24179.3-73.7-70.9000111.9L152 G175 Q176L152-F179 HydrophobicContact CD2-CD1 4.1Å; L152-F179 HydrophobicContact CD2-CE1 4.04Å; G175-F179 WeakPolarHBondContact O-CD2 3.29Å; G175-F179 PolarHBondContact O-N 3.17Å; Q176-F179 PolarHBondContact O-N 2.92Å
180G40.9Very low45.7Very low11 Ų1144.6 Ų44.611%0.11323%0.232CC..Hα-helixtrans-78-33.5177.600000115.4Q176 T178 T200Q176-G180 PolarHBondContact O-N 3.48Å; Q176-G180 VanDerWaalsContact O-N 3.15Å; T178-G180 PolarHBondContact O-N 3.28Å; G180-T200 VanDerWaalsContact O-CB 3.3Å; G180-T200 WeakPolarHBondContact O-CB 3.26Å; G180-T200 PolarHBondContact O-OG1 2.89Å
181T46Very low46.6Very low32 Ų3245.4 Ų45.420%0.19623%0.231CC..Hα-helixtrans-80.7-25.2-177.950.40000113.4L177 T178 L183 S184L177-T181 WeakPolarHBondContact O-CG2 3.12Å; L177-T181 PolarHBondContact O-N 2.86Å; L177-T181 PolarHBondContact O-OG1 3.3Å; T178-T181 PolarHBondContact O-N 2.94Å; T178-T181 PolarHBondContact O-OG1 2.98Å; T181-L183 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 3.12Å; T181-S184 WeakPolarHBondContact O-CB 3.48Å
182N42.2Very low47.8Very low35 Ų3545.7 Ų45.719%0.18723%0.233CC..THydrogen-bonded Turntrans-80.7-2.6-169.7-76-54.8000116.6C148 L152 T178C148-N182 WeakPolarHBondContact CA-OD1 3.28Å; C148-N182 WeakPolarHBondContact CB-OD1 3.35Å; C148-N182 PolarHBondContact O-OD1 3.3Å; C148-N182 PolarHBondContact SG-OD1 3.38Å; L152-N182 HydrophobicContact CD1-CB 4.31Å; L152-N182 VanDerWaalsContact CD2-ND2 3.34Å; L152-N182 WeakPolarHBondContact CD2-ND2 3.42Å; L152-N182 HydrophobicContact CG-CB 4.45Å; L152-N182 WeakPolarHBondContact CG-ND2 3Å; T178-N182 PolarHBondContact O-ND2 3.48Å
183L44.5Very low48.9Very low25 Ų2545.3 Ų45.313%0.13123%0.231CC..THydrogen-bonded Turntrans-93.82.6176.8-91.1142.7000113.8M70 V73 T181M70-L183 HydrophobicContact SD-CD2 3.95Å; V73-L183 HydrophobicContact CG2-CD2 3.86Å; T181-L183 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 3.12Å
184S44.9Very low49.9Very low22 Ų2246.3 Ų46.315%0.15424%0.239CC..  trans-98.611.6-157.6-690000117T181 T197T181-S184 WeakPolarHBondContact O-CB 3.48Å; S184-T197 VanDerWaalsContact CB-CG2 3.45Å; S184-T197 WeakPolarHBondContact OG-CG2 3.17Å
185Y43Very low51.2Low96 Ų9642.8 Ų42.838%0.37622%0.224SC..  trans-124.318.4-164-77.1-69.2000117.4L144L144-Y185 HydrophobicContact CD1-CD1 3.32Å; L144-Y185 HydrophobicContact CD1-CD2 4.26Å; L144-Y185 HydrophobicContact CD1-CE1 3.16Å; L144-Y185 HydrophobicContact CD1-CE2 4.09Å; L144-Y185 HydrophobicContact CD1-CG 3.89Å; L144-Y185 HydrophobicContact CD2-CD1 3.39Å; L144-Y185 HydrophobicContact CD2-CD2 3.44Å; L144-Y185 VanDerWaalsContact CD2-CD2 3.44Å; L144-Y185 HydrophobicContact CD2-CE1 4.06Å; L144-Y185 HydrophobicContact CD2-CE2 4.06Å; L144-Y185 HydrophobicContact CD2-CG 3.02Å; L144-Y185 HydrophobicContact CG-CD1 3.84Å; L144-Y185 HydrophobicContact CG-CD2 4.07Å; L144-Y185 HydrophobicContact CG-CE1 4.02Å; L144-Y185 HydrophobicContact CG-CE2 4.18Å; L144-Y185 HydrophobicContact CG-CG 3.87Å
186T38.8Very low52.9Low67 Ų6742.6 Ų42.641%0.41122%0.22SC..  trans-98.494.5163.731.40000109.6N188T186-N188 PolarHBondContact O-N 3.25Å
187F41.1Very low54.1Low153 Ų15343.4 Ų43.467%0.67123%0.226SC*.  trans-53.6102.3166.1-99.2-96.3000108.7L137L137-F187 HydrophobicContact CB-CD2 4.43Å; L137-F187 HydrophobicContact CB-CE2 4.23Å; L137-F187 HydrophobicContact CD1-CE2 4.39Å
188N45.8Very low55.4Low32 Ų3243.4 Ų43.417%0.17123%0.226CC..  trans-134.1145.4172.6-108.7-31.8000108.8R76 T186 D190 I193R76-N188 PolarHBondContact NE-ND2 2.94Å; R76-N188 PolarHBondContact NH1-ND2 3.42Å; R76-N188 PolarHBondContact NH2-OD1 3.27Å; T186-N188 PolarHBondContact O-N 3.25Å; N188-D190 PolarHBondContact O-N 3.19Å; N188-I193 HydrophobicContact CB-CD1 4.41Å
189P55.3Low57Low103 Ų10343.3 Ų43.367%0.66923%0.226SC*.SBendtrans-69.519.1-173.830.8-36.3000114.1Y20Y20-P189 VanDerWaalsContact CE2-O 3.26Å; Y20-P189 WeakPolarHBondContact CE2-O 3.13Å
190D65.2Low58.8Low38 Ų3838.5 Ų38.520%0.20321%0.205CC..  trans-96.2117-174.1-68.3-43.3000111.1R79 N188 C192 I193 A194R79-D190 WeakPolarHBondContact CD-OD2 3.45Å; R79-D190 IonicContact CZ-OD2 3.63Å; R79-D190 IonicContact NE-OD2 3.76Å; R79-D190 IonicContact NH1-OD2 2.68Å; R79-D190 PolarHBondContact NH1-OD2 2.85Å; N188-D190 PolarHBondContact O-N 3.19Å; D190-C192 PolarHBondContact O-N 2.88Å; D190-C192 VanDerWaalsContact O-N 3.15Å; D190-I193 PolarHBondContact O-N 3.15Å; D190-I193 VanDerWaalsContact O-N 3.08Å; D190-A194 PolarHBondContact O-N 2.95Å; D190-A194 VanDerWaalsContact O-N 3.17Å
191Y67.4Low60.4Low84 Ų8439.3 Ų39.333%0.32921%0.207SC..Hα-helixtrans-59.6-27.4179.457.6-94.1000112.3L27 I86 A195L27-Y191 HydrophobicContact CD1-CD2 3.55Å; L27-Y191 HydrophobicContact CD1-CE2 3.95Å; I86-Y191 HydrophobicContact CD1-CE2 4.43Å; I86-Y191 HydrophobicContact CG1-CE2 4.38Å; Y191-A195 WeakPolarHBondContact O-CB 3.34Å; Y191-A195 PolarHBondContact O-N 3.39Å
192C70.5Confident62Low6 Ų637.8 Ų37.84%0.04120%0.198CC..Hα-helixtrans-69-38.7175.5-70.10000113.2N85 L89 D190 L196N85-C192 HydrophobicContact CB-CB 4.48Å; L89-C192 HydrophobicContact CD2-CB 4.25Å; D190-C192 PolarHBondContact O-N 2.88Å; D190-C192 VanDerWaalsContact O-N 3.15Å; C192-L196 VanDerWaalsContact O-CB 3.22Å; C192-L196 WeakPolarHBondContact O-CB 3.3Å; C192-L196 PolarHBondContact O-N 2.89Å
193I69Low64Low10 Ų1036.2 Ų36.25%0.05119%0.19CC..Hα-helixtrans-68.9-44.9174.8-79.4-176.6000109.4R79 N188 D190 A195 L196 T197R79-I193 VanDerWaalsContact NH2-CD1 3.31Å; N188-I193 HydrophobicContact CB-CD1 4.41Å; D190-I193 PolarHBondContact O-N 3.15Å; D190-I193 VanDerWaalsContact O-N 3.08Å; I193-A195 VanDerWaalsContact C-N 3.3Å; I193-A195 PolarHBondContact O-N 3.05Å; I193-L196 WeakPolarHBondContact O-CB 3.17Å; I193-L196 PolarHBondContact O-N 3.13Å; I193-L196 VanDerWaalsContact O-N 3.15Å; I193-T197 WeakPolarHBondContact O-CB 3.44Å; I193-T197 PolarHBondContact O-N 3.27Å; I193-T197 PolarHBondContact O-OG1 3.25Å
194A68.1Low65.5Low24 Ų2435.3 Ų35.320%0.19819%0.187CC..Hα-helixtrans-60.5-42.1178.500000111.8Y20 V24 D190 T197 L198Y20-A194 VanDerWaalsContact OH-CB 3.26Å; Y20-A194 WeakPolarHBondContact OH-CB 2.99Å; V24-A194 HydrophobicContact CG1-CB 4.09Å; V24-A194 HydrophobicContact CG2-CB 3.76Å; D190-A194 PolarHBondContact O-N 2.95Å; D190-A194 VanDerWaalsContact O-N 3.17Å; A194-T197 PolarHBondContact O-N 3.1Å; A194-L198 WeakPolarHBondContact O-CG 3.32Å; A194-L198 PolarHBondContact O-N 3.42Å
195A72.1Confident67.1Low0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-65.2-39.9174.900000112.4V24 L27 T28 L89 Y191 I193 F199V24-A195 HydrophobicContact CG1-CB 4.4Å; L27-A195 HydrophobicContact CB-CB 3.75Å; L27-A195 HydrophobicContact CD1-CB 4.25Å; T28-A195 WeakPolarHBondContact OG1-CA 3.28Å; T28-A195 PolarHBondContact OG1-O 3.05Å; L89-A195 HydrophobicContact CD2-CB 4.06Å; Y191-A195 WeakPolarHBondContact O-CB 3.34Å; Y191-A195 PolarHBondContact O-N 3.39Å; I193-A195 VanDerWaalsContact C-N 3.3Å; I193-A195 PolarHBondContact O-N 3.05Å; A195-F199 WeakPolarHBondContact O-CB 3.32Å; A195-F199 PolarHBondContact O-N 3.45Å
196L76.6Confident68.9Low3 Ų332.1 Ų32.12%0.01617%0.172CC..Hα-helixtrans-57.9-52.5174-178.570.7000110.4L72 L89 Y92 C192 I193 F199 T200L72-L196 HydrophobicContact CD1-CD1 4.39Å; L72-L196 HydrophobicContact CD1-CD2 4.35Å; L89-L196 HydrophobicContact CD1-CB 3.75Å; L89-L196 HydrophobicContact CD1-CD1 3.67Å; L89-L196 HydrophobicContact CD1-CG 4.33Å; Y92-L196 HydrophobicContact CD1-CD1 3.16Å; Y92-L196 HydrophobicContact CD2-CD1 4.19Å; Y92-L196 HydrophobicContact CE1-CD1 3.19Å; Y92-L196 HydrophobicContact CE1-CG 4.43Å; Y92-L196 HydrophobicContact CE2-CD1 4.21Å; Y92-L196 HydrophobicContact CG-CD1 3.72Å; C192-L196 VanDerWaalsContact O-CB 3.22Å; C192-L196 WeakPolarHBondContact O-CB 3.3Å; C192-L196 PolarHBondContact O-N 2.89Å; I193-L196 WeakPolarHBondContact O-CB 3.17Å; I193-L196 PolarHBondContact O-N 3.13Å; I193-L196 VanDerWaalsContact O-N 3.15Å; L196-F199 PolarHBondContact O-N 3.34Å; L196-T200 HydrophobicContact CD1-CG2 4.49Å; L196-T200 WeakPolarHBondContact O-CG2 3.37Å; L196-T200 PolarHBondContact O-N 3.3Å; L196-T200 PolarHBondContact O-OG1 2.84Å
197T71.9Confident70.8Confident28 Ų2829 Ų2917%0.17215%0.152CC..Hα-helixtrans-58.7-51178.9-67.30000112.2S184 I193 A194 F199 T200 T201S184-T197 VanDerWaalsContact CB-CG2 3.45Å; S184-T197 WeakPolarHBondContact OG-CG2 3.17Å; I193-T197 WeakPolarHBondContact O-CB 3.44Å; I193-T197 PolarHBondContact O-N 3.27Å; I193-T197 PolarHBondContact O-OG1 3.25Å; A194-T197 PolarHBondContact O-N 3.1Å; T197-F199 VanDerWaalsContact C-N 3.26Å; T197-F199 PolarHBondContact O-N 3.3Å; T197-T200 PolarHBondContact O-N 3.15Å; T197-T200 PolarHBondContact O-OG1 2.77Å; T197-T201 WeakPolarHBondContact O-CB 3.37Å; T197-T201 PolarHBondContact O-N 3.08Å; T197-T201 PolarHBondContact O-OG1 3.42Å
198L73.9Confident72.5Confident37 Ų3723.6 Ų23.619%0.19413%0.132CC..Hα-helixtrans-61.7-38.5178.3-73.3176.6000111.9V24 T28 L123 V127 A194 L202V24-L198 HydrophobicContact CG1-CD1 3.52Å; T28-L198 HydrophobicContact CG2-CB 4.02Å; L123-L198 HydrophobicContact CD1-CD2 4.35Å; V127-L198 HydrophobicContact CG2-CD2 3.92Å; A194-L198 WeakPolarHBondContact O-CG 3.32Å; A194-L198 PolarHBondContact O-N 3.42Å; L198-L202 WeakPolarHBondContact O-CB 3.42Å; L198-L202 PolarHBondContact O-N 3.5Å
199F80.4Confident73.9Confident0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-69.1-42.1178.9-179.6-110.8000112.2T28 L31 I96 A195 L196 T197 L202 L203T28-F199 HydrophobicContact CG2-CB 4.41Å; L31-F199 VanDerWaalsContact C-CE2 3.42Å; L31-F199 HydrophobicContact CB-CD1 4.3Å; L31-F199 HydrophobicContact CB-CD2 3.47Å; L31-F199 VanDerWaalsContact CB-CD2 3.47Å; L31-F199 HydrophobicContact CB-CE1 4.35Å; L31-F199 HydrophobicContact CB-CE2 3.55Å; L31-F199 HydrophobicContact CB-CG 3.86Å; L31-F199 HydrophobicContact CB-CZ 3.99Å; L31-F199 HydrophobicContact CD1-CB 4.06Å; L31-F199 HydrophobicContact CD1-CD1 4.12Å; L31-F199 HydrophobicContact CD1-CD2 4.37Å; L31-F199 HydrophobicContact CD1-CG 3.91Å; L31-F199 WeakPolarHBondContact O-CE2 3.26Å; I96-F199 HydrophobicContact CG2-CE1 3.71Å; A195-F199 WeakPolarHBondContact O-CB 3.32Å; A195-F199 PolarHBondContact O-N 3.45Å; L196-F199 PolarHBondContact O-N 3.34Å; T197-F199 VanDerWaalsContact C-N 3.26Å; T197-F199 PolarHBondContact O-N 3.3Å; F199-L202 WeakPolarHBondContact O-CB 3.3Å; F199-L202 PolarHBondContact O-N 3.04Å; F199-L203 HydrophobicContact CD1-CD1 4.01Å; F199-L203 HydrophobicContact CE1-CD1 3.42Å; F199-L203 VanDerWaalsContact CE1-CD1 3.42Å; F199-L203 HydrophobicContact CE1-CG 4.16Å; F199-L203 HydrophobicContact CE2-CD1 4.37Å; F199-L203 HydrophobicContact CE2-CD2 4.43Å; F199-L203 HydrophobicContact CE2-CG 4.27Å; F199-L203 HydrophobicContact CZ-CD1 3.64Å; F199-L203 HydrophobicContact CZ-CD2 4.18Å; F199-L203 HydrophobicContact CZ-CG 4Å; F199-L203 WeakPolarHBondContact O-CG 3.35Å; F199-L203 PolarHBondContact O-N 3.29Å
200T76.5Confident75Confident3 Ų317.3 Ų17.32%0.0189%0.094CC..Hα-helixtrans-67.4-37.4176.256.20000111.9Y92 G180 L196 T197 L203 G204Y92-T200 HydrophobicContact CE1-CG2 3.75Å; Y92-T200 WeakPolarHBondContact OH-CG2 3.46Å; G180-T200 VanDerWaalsContact O-CB 3.3Å; G180-T200 WeakPolarHBondContact O-CB 3.26Å; G180-T200 PolarHBondContact O-OG1 2.89Å; L196-T200 HydrophobicContact CD1-CG2 4.49Å; L196-T200 WeakPolarHBondContact O-CG2 3.37Å; L196-T200 PolarHBondContact O-N 3.3Å; L196-T200 PolarHBondContact O-OG1 2.84Å; T197-T200 PolarHBondContact O-N 3.15Å; T197-T200 PolarHBondContact O-OG1 2.77Å; T200-L203 PolarHBondContact O-N 3.45Å; T200-G204 PolarHBondContact O-N 2.91Å
201T76.1Confident75.5Confident27 Ų2717.7 Ų17.717%0.16610%0.097CC..Hα-helixtrans-60.9-45.5171.7-59.80000111.5L126 T197 L203 G204 F205L126-T201 HydrophobicContact CD2-CG2 3.7Å; T197-T201 WeakPolarHBondContact O-CB 3.37Å; T197-T201 PolarHBondContact O-N 3.08Å; T197-T201 PolarHBondContact O-OG1 3.42Å; T201-L203 VanDerWaalsContact C-N 3.31Å; T201-L203 PolarHBondContact O-N 2.64Å; T201-G204 PolarHBondContact O-N 3.23Å; T201-G204 VanDerWaalsContact O-N 3.16Å; T201-F205 HydrophobicContact CG2-CD2 4.18Å; T201-F205 HydrophobicContact CG2-CE2 3.64Å; T201-F205 HydrophobicContact CG2-CZ 3.87Å; T201-F205 PolarHBondContact O-N 3.36Å
202L79.4Confident75.8Confident1 Ų118.5 Ų18.51%0.00510%0.104CC..Hα-helixtrans-58.5-43.3175.9178.362.4000111.8W116 A119 F120 L123 L198 F199 F205 F206W116-L202 HydrophobicContact CZ3-CD1 4.41Å; W116-L202 HydrophobicContact CZ3-CD2 4.04Å; W116-L202 HydrophobicContact CZ3-CG 4.02Å; A119-L202 HydrophobicContact CB-CD1 3.91Å; F120-L202 HydrophobicContact CD1-CD1 4.02Å; F120-L202 HydrophobicContact CD1-CD2 4.43Å; F120-L202 HydrophobicContact CE1-CD1 4.17Å; F120-L202 HydrophobicContact CE1-CD2 3.8Å; F120-L202 HydrophobicContact CG-CD1 4.44Å; F120-L202 HydrophobicContact CZ-CD2 4.22Å; L123-L202 HydrophobicContact CB-CD1 4.21Å; L123-L202 HydrophobicContact CD2-CB 4.15Å; L123-L202 HydrophobicContact CD2-CD1 4Å; L123-L202 HydrophobicContact CD2-CD2 4.28Å; L123-L202 HydrophobicContact CD2-CG 4.36Å; L198-L202 WeakPolarHBondContact O-CB 3.42Å; L198-L202 PolarHBondContact O-N 3.5Å; F199-L202 WeakPolarHBondContact O-CB 3.3Å; F199-L202 PolarHBondContact O-N 3.04Å; L202-F205 PolarHBondContact O-N 2.94Å; L202-F206 PolarHBondContact O-N 3.36Å
203L82.9Confident75.8Confident2 Ų219.7 Ų19.71%0.0111%0.111CC..Hα-helixtrans-65.1-39.8175.6-71.5177.6000112.5S35 I96 Q100 W116 F199 T200 T201 F205 F206 V207S35-L203 WeakPolarHBondContact OG-CD2 3.29Å; I96-L203 HydrophobicContact CB-CD1 4.38Å; I96-L203 HydrophobicContact CG1-CD1 4.12Å; I96-L203 HydrophobicContact CG2-CD1 3.44Å; I96-L203 VanDerWaalsContact CG2-CD1 3.44Å; Q100-L203 HydrophobicContact CG-CB 4.37Å; Q100-L203 HydrophobicContact CG-CD1 4.31Å; Q100-L203 HydrophobicContact CG-CD2 4.3Å; W116-L203 HydrophobicContact CH2-CD2 3.97Å; F199-L203 HydrophobicContact CD1-CD1 4.01Å; F199-L203 HydrophobicContact CE1-CD1 3.42Å; F199-L203 VanDerWaalsContact CE1-CD1 3.42Å; F199-L203 HydrophobicContact CE1-CG 4.16Å; F199-L203 HydrophobicContact CE2-CD1 4.37Å; F199-L203 HydrophobicContact CE2-CD2 4.43Å; F199-L203 HydrophobicContact CE2-CG 4.27Å; F199-L203 HydrophobicContact CZ-CD1 3.64Å; F199-L203 HydrophobicContact CZ-CD2 4.18Å; F199-L203 HydrophobicContact CZ-CG 4Å; F199-L203 WeakPolarHBondContact O-CG 3.35Å; F199-L203 PolarHBondContact O-N 3.29Å; T200-L203 PolarHBondContact O-N 3.45Å; T201-L203 VanDerWaalsContact C-N 3.31Å; T201-L203 PolarHBondContact O-N 2.64Å; L203-F205 VanDerWaalsContact C-N 3.33Å; L203-F205 PolarHBondContact O-N 2.87Å; L203-F206 WeakPolarHBondContact O-CB 3.44Å; L203-F206 PolarHBondContact O-N 2.93Å; L203-V207 VanDerWaalsContact O-CG2 3.29Å; L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 2.92Å
204G75.6Confident76Confident6 Ų623.3 Ų23.36%0.06213%0.127CC..Hα-helixtrans-57.4-46.5173.200000111.7T200 T201 V207 T208T200-G204 PolarHBondContact O-N 2.91Å; T201-G204 PolarHBondContact O-N 3.23Å; T201-G204 VanDerWaalsContact O-N 3.16Å; G204-V207 PolarHBondContact O-N 3.19Å; G204-T208 PolarHBondContact O-N 2.86Å; G204-T208 PolarHBondContact O-OG1 3.11Å
205F79.3Confident76.1Confident50 Ų5028.5 Ų28.522%0.21915%0.145CC..Hα-helixtrans-61.9-45.1173.9-66.4-34000112.3A119 L122 L126 T201 L202 L203 V207 T208 S209A119-F205 HydrophobicContact CB-CB 3.74Å; L122-F205 HydrophobicContact CB-CD1 4.37Å; L122-F205 HydrophobicContact CB-CD2 3.72Å; L122-F205 HydrophobicContact CB-CE1 4.44Å; L122-F205 HydrophobicContact CB-CE2 3.79Å; L122-F205 HydrophobicContact CB-CG 4.02Å; L122-F205 HydrophobicContact CB-CZ 4.16Å; L122-F205 HydrophobicContact CD1-CB 4.23Å; L122-F205 HydrophobicContact CD1-CD1 3.91Å; L122-F205 HydrophobicContact CD1-CE1 4.38Å; L122-F205 HydrophobicContact CD1-CG 4.01Å; L126-F205 HydrophobicContact CD2-CE2 4.1Å; L126-F205 HydrophobicContact CD2-CZ 4Å; T201-F205 HydrophobicContact CG2-CD2 4.18Å; T201-F205 HydrophobicContact CG2-CE2 3.64Å; T201-F205 HydrophobicContact CG2-CZ 3.87Å; T201-F205 PolarHBondContact O-N 3.36Å; L202-F205 PolarHBondContact O-N 2.94Å; L203-F205 VanDerWaalsContact C-N 3.33Å; L203-F205 PolarHBondContact O-N 2.87Å; F205-V207 VanDerWaalsContact C-N 3.35Å; F205-V207 PolarHBondContact O-N 2.85Å; F205-T208 PolarHBondContact O-N 3.35Å; F205-S209 WeakPolarHBondContact O-CB 3.5Å; F205-S209 PolarHBondContact O-N 3.4Å; F205-S209 PolarHBondContact O-OG 3.23Å; F205-S209 VanDerWaalsContact O-OG 3.05Å
206F81.4Confident76.1Confident0 Ų032.6 Ų32.60%017%0.166CC..Hα-helixtrans-56.3-48.2178.1168.6-105.9000112.2T39 V104 A115 W116 A119 L202 L203 S210T39-F206 HydrophobicContact CG2-CE1 4.34Å; T39-F206 HydrophobicContact CG2-CZ 3.76Å; V104-F206 HydrophobicContact CG2-CE1 4Å; V104-F206 HydrophobicContact CG2-CZ 3.89Å; A115-F206 HydrophobicContact CB-CD2 3.85Å; A115-F206 HydrophobicContact CB-CE2 3.85Å; W116-F206 HydrophobicContact CB-CD2 4.47Å; W116-F206 AromaticContact CD1-CD2 3.74Å; W116-F206 AromaticContact CD1-CE2 3.35Å; W116-F206 AromaticContact CD2-CD2 3.62Å; W116-F206 HydrophobicContact CD2-CD2 3.62Å; W116-F206 HydrophobicContact CD2-CE2 4.02Å; W116-F206 HydrophobicContact CD2-CG 4.23Å; W116-F206 AromaticContact CE2-CD2 3.58Å; W116-F206 AromaticContact CE2-CE2 3.68Å; W116-F206 HydrophobicContact CE3-CB 4.49Å; W116-F206 HydrophobicContact CE3-CD2 4.25Å; W116-F206 AromaticContact CG-CD2 3.72Å; W116-F206 HydrophobicContact CG-CD2 3.72Å; W116-F206 AromaticContact CG-CE2 3.82Å; W116-F206 HydrophobicContact CG-CE2 3.82Å; W116-F206 HydrophobicContact CH2-CG 4.44Å; W116-F206 HydrophobicContact CZ2-CD1 4.33Å; W116-F206 HydrophobicContact CZ2-CD2 4.17Å; W116-F206 HydrophobicContact CZ2-CE2 4.41Å; W116-F206 HydrophobicContact CZ2-CG 4.12Å; W116-F206 HydrophobicContact CZ3-CB 4.45Å; W116-F206 AromaticContact NE1-CD2 3.64Å; W116-F206 AromaticContact NE1-CE2 3.23Å; W116-F206 AromaticContact NE1-CZ 3.67Å; A119-F206 HydrophobicContact CB-CB 4.1Å; L202-F206 PolarHBondContact O-N 3.36Å; L203-F206 WeakPolarHBondContact O-CB 3.44Å; L203-F206 PolarHBondContact O-N 2.93Å; F206-S210 VanDerWaalsContact O-CB 3.27Å; F206-S210 WeakPolarHBondContact O-CB 3.31Å; F206-S210 PolarHBondContact O-N 3.36Å
207V78.5Confident75.8Confident1 Ų134.5 Ų34.51%0.00618%0.175CC..Hα-helixtrans-63.2-46.4179.6176.40000110.5Q100 G173 L203 G204 F205 S210 V211Q100-V207 HydrophobicContact CB-CG2 4.3Å; Q100-V207 HydrophobicContact CG-CG2 4.19Å; G173-V207 WeakPolarHBondContact O-CG1 3.43Å; L203-V207 VanDerWaalsContact O-CG2 3.29Å; L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 2.92Å; G204-V207 PolarHBondContact O-N 3.19Å; F205-V207 VanDerWaalsContact C-N 3.35Å; F205-V207 PolarHBondContact O-N 2.85Å; V207-S210 PolarHBondContact O-N 3.43Å; V207-S210 PolarHBondContact O-OG 2.93Å; V207-V211 PolarHBondContact O-N 3.46Å; V207-V211 VanDerWaalsContact O-N 3.16Å
208T77Confident75.8Confident40 Ų4034.5 Ų34.525%0.24518%0.181CC..Hα-helixtrans-57.5-54.6178-48.40000111.1L177 G204 F205 S210 V211 E212L177-T208 WeakPolarHBondContact CD1-OG1 3.43Å; L177-T208 WeakPolarHBondContact CD2-OG1 3.47Å; G204-T208 PolarHBondContact O-N 2.86Å; G204-T208 PolarHBondContact O-OG1 3.11Å; F205-T208 PolarHBondContact O-N 3.35Å; T208-S210 PolarHBondContact O-N 3.45Å; T208-V211 PolarHBondContact O-N 3.45Å; T208-V211 VanDerWaalsContact O-N 3.11Å; T208-E212 PolarHBondContact O-N 2.65Å; T208-E212 VanDerWaalsContact O-N 3.08Å
209S75.1Confident75.7Confident0 Ų035 Ų350%018%0.183CC..Hα-helixtrans-63.6-30.2-180-57.70000112I118 F205 E212 V213I118-S209 WeakPolarHBondContact CG2-OG 3.49Å; F205-S209 WeakPolarHBondContact O-CB 3.5Å; F205-S209 PolarHBondContact O-N 3.4Å; F205-S209 PolarHBondContact O-OG 3.23Å; F205-S209 VanDerWaalsContact O-OG 3.05Å; S209-E212 PolarHBondContact O-N 3.38Å; S209-V213 VanDerWaalsContact O-CB 3.32Å; S209-V213 WeakPolarHBondContact O-CB 3.24Å; S209-V213 WeakPolarHBondContact O-CG2 3.1Å; S209-V213 PolarHBondContact O-N 3.16Å
210S78.5Confident75.5Confident4 Ų439.8 Ų39.83%0.02821%0.208CC..Hα-helixtrans-66.8-37.4175.877.90000112.6V104 F206 V207 T208 H214V104-S210 WeakPolarHBondContact CG1-OG 3.39Å; F206-S210 VanDerWaalsContact O-CB 3.27Å; F206-S210 WeakPolarHBondContact O-CB 3.31Å; F206-S210 PolarHBondContact O-N 3.36Å; V207-S210 PolarHBondContact O-N 3.43Å; V207-S210 PolarHBondContact O-OG 2.93Å; T208-S210 PolarHBondContact O-N 3.45Å; S210-H214 WeakPolarHBondContact O-CB 3.23Å; S210-H214 PolarHBondContact O-N 3.35Å
211V74.6Confident75.4Confident45 Ų4546.5 Ų46.527%0.27324%0.237SC..Hα-helixtrans-68.2-45.6175.3175.40000109.8L170 V207 T208 H214 F215L170-V211 HydrophobicContact CD1-CG1 4.14Å; L170-V211 HydrophobicContact CD2-CG1 4.11Å; L170-V211 HydrophobicContact CG-CG1 3.84Å; V207-V211 PolarHBondContact O-N 3.46Å; V207-V211 VanDerWaalsContact O-N 3.16Å; T208-V211 PolarHBondContact O-N 3.45Å; T208-V211 VanDerWaalsContact O-N 3.11Å; V211-H214 PolarHBondContact O-N 3.46Å; V211-F215 WeakPolarHBondContact O-CB 3.02Å; V211-F215 PolarHBondContact O-N 3.15Å
212E73.6Confident75.3Confident102 Ų10250.7 Ų50.748%0.47726%0.259SS..Hα-helixtrans-62.8-49.6178.9-68.7176.6170.100112.4T208 S209 H214 F215 I216T208-E212 PolarHBondContact O-N 2.65Å; T208-E212 VanDerWaalsContact O-N 3.08Å; S209-E212 PolarHBondContact O-N 3.38Å; E212-H214 VanDerWaalsContact C-N 3.31Å; E212-H214 PolarHBondContact O-N 2.91Å; E212-F215 WeakPolarHBondContact O-CB 3.48Å; E212-F215 PolarHBondContact O-N 2.79Å; E212-F215 VanDerWaalsContact O-N 3.13Å; E212-I216 WeakPolarHBondContact O-CG1 3.13Å; E212-I216 PolarHBondContact O-N 2.68Å
213V71.8Confident74.6Confident30 Ų3059.5 Ų59.518%0.18230%0.297CS..Hα-helixtrans-64.4-37.9179.41760000110.8V111 I118 S209 F215 I216 E217V111-V213 HydrophobicContact CB-CG1 4.04Å; V111-V213 HydrophobicContact CG1-CB 3.99Å; V111-V213 HydrophobicContact CG1-CG1 3.79Å; V111-V213 HydrophobicContact CG2-CG1 3.99Å; I118-V213 HydrophobicContact CD1-CG2 3.58Å; S209-V213 VanDerWaalsContact O-CB 3.32Å; S209-V213 WeakPolarHBondContact O-CB 3.24Å; S209-V213 WeakPolarHBondContact O-CG2 3.1Å; S209-V213 PolarHBondContact O-N 3.16Å; V213-F215 VanDerWaalsContact C-N 3.34Å; V213-I216 PolarHBondContact O-N 2.86Å; V213-E217 WeakPolarHBondContact O-CB 3.12Å; V213-E217 PolarHBondContact O-N 3.48Å
214H72.1Confident73.5Confident87 Ų8765.5 Ų65.540%0.40333%0.328SS..Hα-helixtrans-64.8-38174.1-174.4-71.6000112V111 S210 V211 E212 G218V111-H214 HydrophobicContact CG1-CB 4.21Å; S210-H214 WeakPolarHBondContact O-CB 3.23Å; S210-H214 PolarHBondContact O-N 3.35Å; V211-H214 PolarHBondContact O-N 3.46Å; E212-H214 VanDerWaalsContact C-N 3.31Å; E212-H214 PolarHBondContact O-N 2.91Å; H214-G218 PolarHBondContact O-N 3.39Å
215F71.3Confident72.4Confident132 Ų13273.3 Ų73.358%0.57937%0.368SS*.Hα-helixtrans-65.3-45.3175.4-175.9-103.3000111.6V211 E212 V213 E217 G218 L219V211-F215 WeakPolarHBondContact O-CB 3.02Å; V211-F215 PolarHBondContact O-N 3.15Å; E212-F215 WeakPolarHBondContact O-CB 3.48Å; E212-F215 PolarHBondContact O-N 2.79Å; E212-F215 VanDerWaalsContact O-N 3.13Å; V213-F215 VanDerWaalsContact C-N 3.34Å; F215-E217 PolarHBondContact O-N 2.71Å; F215-G218 WeakPolarHBondContact O-CA 3.15Å; F215-G218 PolarHBondContact O-N 3.27Å; F215-G218 VanDerWaalsContact O-N 3.15Å; F215-L219 HydrophobicContact CD1-CD1 3.85Å; F215-L219 HydrophobicContact CD1-CG 4.37Å; F215-L219 HydrophobicContact CE1-CD1 3.49Å; F215-L219 VanDerWaalsContact CE1-CD1 3.49Å; F215-L219 HydrophobicContact CE1-CG 4.09Å; F215-L219 HydrophobicContact CZ-CD1 4.16Å; F215-L219 HydrophobicContact CZ-CD2 4.39Å; F215-L219 HydrophobicContact CZ-CG 4.36Å; F215-L219 PolarHBondContact O-N 3.35Å
216I72.8Confident72.1Confident86 Ų8674.5 Ų74.544%0.44138%0.375SS..Hα-helixtrans-60.9-44.9176.2-65.9165.3000110.9E212 V213 G218 L219 I220E212-I216 WeakPolarHBondContact O-CG1 3.13Å; E212-I216 PolarHBondContact O-N 2.68Å; V213-I216 PolarHBondContact O-N 2.86Å; I216-G218 VanDerWaalsContact C-N 3.27Å; I216-G218 PolarHBondContact O-N 2.89Å; I216-L219 PolarHBondContact O-N 3.45Å; I216-I220 HydrophobicContact CG2-CD1 3.85Å; I216-I220 HydrophobicContact CG2-CG1 4.46Å; I216-I220 WeakPolarHBondContact O-CG1 3.39Å; I216-I220 PolarHBondContact O-N 3.4Å
217E70.1Confident71.6Confident44 Ų4478.4 Ų78.421%0.20640%0.395CS..Hα-helixtrans-60-39.5175.6-168.9-171.5-179.800111.4V111 V213 F215 I220 K221V111-E217 WeakPolarHBondContact CG2-OE2 3.32Å; V213-E217 WeakPolarHBondContact O-CB 3.12Å; V213-E217 PolarHBondContact O-N 3.48Å; F215-E217 PolarHBondContact O-N 2.71Å; E217-I220 PolarHBondContact O-N 3.45Å; E217-K221 HydrophobicContact CG-CD 4.39Å; E217-K221 WeakPolarHBondContact O-CB 3.46Å; E217-K221 WeakPolarHBondContact O-CG 3.46Å; E217-K221 PolarHBondContact O-N 2.96Å; E217-K221 WeakPolarHBondContact OE1-CE 3.36Å; E217-K221 IonicContact OE1-NZ 2.66Å; E217-K221 PolarHBondContact OE1-NZ 3.27Å
218G70.7Confident71.2Confident28 Ų2882.7 Ų82.729%0.28942%0.416SS..Hα-helixtrans-61.8-43174.600000113.1H214 F215 I216 N222H214-G218 PolarHBondContact O-N 3.39Å; F215-G218 WeakPolarHBondContact O-CA 3.15Å; F215-G218 PolarHBondContact O-N 3.27Å; F215-G218 VanDerWaalsContact O-N 3.15Å; I216-G218 VanDerWaalsContact C-N 3.27Å; I216-G218 PolarHBondContact O-N 2.89Å; G218-N222 WeakPolarHBondContact O-CB 3.25Å; G218-N222 VanDerWaalsContact O-CG 3.31Å; G218-N222 PolarHBondContact O-N 3.49Å; G218-N222 VanDerWaalsContact O-N 3.12Å; G218-N222 PolarHBondContact O-ND2 2.84Å
219L72.5Confident70.9Confident46 Ų4685.2 Ų85.224%0.24143%0.427CS..Hα-helixtrans-64.5-44.3176.7-70.8174.1000112.4F215 I216 N222 K223 L224 L225F215-L219 HydrophobicContact CD1-CD1 3.85Å; F215-L219 HydrophobicContact CD1-CG 4.37Å; F215-L219 HydrophobicContact CE1-CD1 3.49Å; F215-L219 VanDerWaalsContact CE1-CD1 3.49Å; F215-L219 HydrophobicContact CE1-CG 4.09Å; F215-L219 HydrophobicContact CZ-CD1 4.16Å; F215-L219 HydrophobicContact CZ-CD2 4.39Å; F215-L219 HydrophobicContact CZ-CG 4.36Å; F215-L219 PolarHBondContact O-N 3.35Å; I216-L219 PolarHBondContact O-N 3.45Å; L219-N222 CarbonylContact O-C 3.45Å; L219-N222 PolarHBondContact O-N 3.1Å; L219-K223 PolarHBondContact O-N 3.37Å; L219-L224 HydrophobicContact CD2-CB 4.24Å; L219-L224 HydrophobicContact CD2-CD1 4.32Å; L219-L224 PolarHBondContact O-N 3.39Å; L219-L224 VanDerWaalsContact O-N 3.16Å; L219-L225 HydrophobicContact CB-CD1 4.04Å; L219-L225 HydrophobicContact CD1-CD1 4.11Å
220I75.4Confident70.6Confident102 Ų10290.6 Ų90.652%0.52345%0.453SS..Hα-helixtrans-61.9-45.6178.1-66.8167.4000110.4I216 E217 N222 K223I216-I220 HydrophobicContact CG2-CD1 3.85Å; I216-I220 HydrophobicContact CG2-CG1 4.46Å; I216-I220 WeakPolarHBondContact O-CG1 3.39Å; I216-I220 PolarHBondContact O-N 3.4Å; E217-I220 PolarHBondContact O-N 3.45Å; I220-N222 VanDerWaalsContact C-N 3.25Å; I220-N222 PolarHBondContact O-N 3.47Å; I220-K223 PolarHBondContact O-N 3.47Å; I220-K223 VanDerWaalsContact O-N 3.1Å
221K74.6Confident70.1Confident143 Ų14396.3 Ų96.362%0.62248%0.482SS*.Hα-helixtrans-63.4-32.7178.5-76.4178.8-176.6168.10112.9E217 K223E217-K221 HydrophobicContact CG-CD 4.39Å; E217-K221 WeakPolarHBondContact O-CB 3.46Å; E217-K221 WeakPolarHBondContact O-CG 3.46Å; E217-K221 PolarHBondContact O-N 2.96Å; E217-K221 WeakPolarHBondContact OE1-CE 3.36Å; E217-K221 IonicContact OE1-NZ 2.66Å; E217-K221 PolarHBondContact OE1-NZ 3.27Å; K221-K223 VanDerWaalsContact C-N 3.26Å; K221-K223 PolarHBondContact O-N 3.01Å
222N74.6Confident69.7Low116 Ų116100 Ų10062%0.6250%0.496SS*.THydrogen-bonded Turntrans-84.16177.7-69.8-19.6000113.6G218 L219 I220 L224G218-N222 WeakPolarHBondContact O-CB 3.25Å; G218-N222 VanDerWaalsContact O-CG 3.31Å; G218-N222 PolarHBondContact O-N 3.49Å; G218-N222 VanDerWaalsContact O-N 3.12Å; G218-N222 PolarHBondContact O-ND2 2.84Å; L219-N222 CarbonylContact O-C 3.45Å; L219-N222 PolarHBondContact O-N 3.1Å; I220-N222 VanDerWaalsContact C-N 3.25Å; I220-N222 PolarHBondContact O-N 3.47Å; N222-L224 HydrophobicContact CB-CD1 3.84Å; N222-L224 HydrophobicContact CB-CG 4.27Å; N222-L224 PolarHBondContact O-N 3.04Å
223K65.5Low69.4Low186 Ų18699.8 Ų99.881%0.80950%0.498SS*.THydrogen-bonded Turntrans5331.4-177.6-59.2-176.1177.1-177.50113.8L219 I220 K221 L225L219-K223 PolarHBondContact O-N 3.37Å; I220-K223 PolarHBondContact O-N 3.47Å; I220-K223 VanDerWaalsContact O-N 3.1Å; K221-K223 VanDerWaalsContact C-N 3.26Å; K221-K223 PolarHBondContact O-N 3.01Å; K223-L225 VanDerWaalsContact C-N 3.27Å
224L59.6Low69.3Low127 Ų127105.7 Ų105.767%0.66552%0.524SS*.  trans-89.83.2177.7-75.1161.3000112.4L219 N222L219-L224 HydrophobicContact CD2-CB 4.24Å; L219-L224 HydrophobicContact CD2-CD1 4.32Å; L219-L224 PolarHBondContact O-N 3.39Å; L219-L224 VanDerWaalsContact O-N 3.16Å; N222-L224 HydrophobicContact CB-CD1 3.84Å; N222-L224 HydrophobicContact CB-CG 4.27Å; N222-L224 PolarHBondContact O-N 3.04Å
225L51.9Low69Low171 Ų171107.4 Ų107.490%0.89554%0.535SS*.  trans-138.40174-100.5151.1000107.6L219 K223L219-L225 HydrophobicContact CB-CD1 4.04Å; L219-L225 HydrophobicContact CD1-CD1 4.11Å; K223-L225 VanDerWaalsContact C-N 3.27Å

Retrieved 225 of 225 residues in 47.2 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).