A0A3B3UQW2_9TELE Loading...

Endophilin-B1

AlphaFold DB , UniProt , Accession A0A3B3UQW2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 363 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
1M44.6Very low60.1Low238 Ų238131.4 Ų131.4100%1.17268%0.675SS**  091.70-71.4-179.7-168.600106.5F3M1-F3 PolarHBondContact O-N 3.46Å
2D48.3Very low60.9Low167 Ų167124.5 Ų124.589%0.89365%0.652SS**  trans-73.4110.4179.5-69.7-40.8000109.3N4D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 VanDerWaalsContact O-N 3.14Å
3F54.5Low61.9Low171 Ų171117.3 Ų117.375%0.7563%0.627SS**  trans-65.4111.1175.5-154.6-95.2000107.9M1 V5M1-F3 PolarHBondContact O-N 3.46Å; F3-V5 VanDerWaalsContact C-N 3.28Å; F3-V5 HydrophobicContact CD1-CG2 4.28Å; F3-V5 PolarHBondContact O-N 2.76Å
4N60.2Low62.9Low101 Ų101113.3 Ų113.354%0.5461%0.609SS.*  trans-81.673.2-168.8-160.3-18.1000111.3D2 K6 R7 L8D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 VanDerWaalsContact O-N 3.14Å; N4-K6 PolarHBondContact O-N 3.12Å; N4-K6 VanDerWaalsContact O-N 3.14Å; N4-R7 HydrophobicContact CB-CB 4.21Å; N4-R7 WeakPolarHBondContact O-CB 3.07Å; N4-R7 PolarHBondContact O-N 3.28Å; N4-R7 PolarHBondContact OD1-N 2.69Å; N4-L8 PolarHBondContact O-N 2.9Å
5V68.6Low63.7Low97 Ų97114.9 Ų114.959%0.58861%0.608SS**Hα-helixtrans-54-31.4-180-178.40000112F3 L8 A9F3-V5 VanDerWaalsContact C-N 3.28Å; F3-V5 HydrophobicContact CD1-CG2 4.28Å; F3-V5 PolarHBondContact O-N 2.76Å; V5-L8 PolarHBondContact O-N 3.06Å; V5-A9 WeakPolarHBondContact O-CB 3.43Å; V5-A9 PolarHBondContact O-N 3.36Å
6K62.6Low64.4Low178 Ų178114.9 Ų114.977%0.77461%0.608SS**Hα-helixtrans-65.7-39.2176.6-71.6-174.8177.7-179.70112.8N4 A10N4-K6 PolarHBondContact O-N 3.12Å; N4-K6 VanDerWaalsContact O-N 3.14Å; K6-A10 PolarHBondContact O-N 2.96Å; K6-A10 VanDerWaalsContact O-N 3.08Å
7R63.1Low65.2Low172 Ų172110.8 Ų110.865%0.64959%0.591SS**Hα-helixtrans-68.6-43.1175.3-174.2177.7173.2177.20.2111N4 A9 A10 D11N4-R7 HydrophobicContact CB-CB 4.21Å; N4-R7 WeakPolarHBondContact O-CB 3.07Å; N4-R7 PolarHBondContact O-N 3.28Å; N4-R7 PolarHBondContact OD1-N 2.69Å; R7-A9 VanDerWaalsContact C-N 3.31Å; R7-A9 PolarHBondContact O-N 3.07Å; R7-A10 PolarHBondContact O-N 3.11Å; R7-D11 WeakPolarHBondContact O-CB 3.16Å; R7-D11 VanDerWaalsContact O-CG 3.26Å; R7-D11 PolarHBondContact O-N 2.87Å
8L63.4Low66Low112 Ų112108.3 Ų108.359%0.58657%0.572SS**Hα-helixtrans-59.5-41.8176-162.286.4000112N4 V5 A12N4-L8 PolarHBondContact O-N 2.9Å; V5-L8 PolarHBondContact O-N 3.06Å; L8-A12 WeakPolarHBondContact O-CB 3.24Å; L8-A12 PolarHBondContact O-N 3.5Å
9A64.8Low66.2Low62 Ų62104.9 Ų104.951%0.51256%0.561SS.*Hα-helixtrans-68.1-38.1177.300000112.8V5 R7 A12 G13V5-A9 WeakPolarHBondContact O-CB 3.43Å; V5-A9 PolarHBondContact O-N 3.36Å; R7-A9 VanDerWaalsContact C-N 3.31Å; R7-A9 PolarHBondContact O-N 3.07Å; A9-A12 PolarHBondContact O-N 3.11Å; A9-G13 PolarHBondContact O-N 2.75Å
10A64.5Low66.8Low59 Ų59103.6 Ų103.649%0.48856%0.556SS.*Hα-helixtrans-67.3-42.1175.100000112.1K6 R7 A12 G13 T14K6-A10 PolarHBondContact O-N 2.96Å; K6-A10 VanDerWaalsContact O-N 3.08Å; R7-A10 PolarHBondContact O-N 3.11Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-G13 PolarHBondContact O-N 3.32Å; A10-T14 PolarHBondContact O-N 2.94Å; A10-T14 PolarHBondContact O-OG1 3.39Å
11D66.3Low67.3Low88 Ų8899 Ų9947%0.47153%0.531SS..Hα-helixtrans-65.6-36.9175.8-67.7-19.5000111.3R7 T14 F15R7-D11 WeakPolarHBondContact O-CB 3.16Å; R7-D11 VanDerWaalsContact O-CG 3.26Å; R7-D11 PolarHBondContact O-N 2.87Å; D11-T14 PolarHBondContact O-OG1 3.02Å; D11-F15 PolarHBondContact O-N 3.08Å; D11-F15 VanDerWaalsContact O-N 3.11Å
12A70.4Confident68.5Low49 Ų4991.6 Ų91.641%0.40549%0.493SS..Hα-helixtrans-68-38.8172.900000112.5L8 A9 A10 F15 L16L8-A12 WeakPolarHBondContact O-CB 3.24Å; L8-A12 PolarHBondContact O-N 3.5Å; A9-A12 PolarHBondContact O-N 3.11Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A12-F15 PolarHBondContact O-N 2.98Å; A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 3.2Å
13G74Confident69.5Low31 Ų3187.1 Ų87.132%0.3247%0.472SS..Hα-helixtrans-64.9-38.9176.900000113.2A9 A10 S17A9-G13 PolarHBondContact O-N 2.75Å; A10-G13 PolarHBondContact O-N 3.32Å; G13-S17 WeakPolarHBondContact O-CB 3.42Å; G13-S17 PolarHBondContact O-N 3.24Å; G13-S17 PolarHBondContact O-OG 2.98Å
14T75.6Confident70.4Confident61 Ų6181.9 Ų81.937%0.37445%0.45SS..Hα-helixtrans-68.7-40.1173.951.10000111.8A10 D11 S17 R18A10-T14 PolarHBondContact O-N 2.94Å; A10-T14 PolarHBondContact O-OG1 3.39Å; D11-T14 PolarHBondContact O-OG1 3.02Å; T14-S17 PolarHBondContact O-N 2.97Å; T14-R18 WeakPolarHBondContact O-CG 3.05Å; T14-R18 PolarHBondContact O-N 3.36Å
15F74.2Confident71.1Confident138 Ų13878.6 Ų78.661%0.60543%0.431SS*.Hα-helixtrans-61.2-46.1175-173.9-91.6000112.8D11 A12 S17 R18 A19D11-F15 PolarHBondContact O-N 3.08Å; D11-F15 VanDerWaalsContact O-N 3.11Å; A12-F15 PolarHBondContact O-N 2.98Å; F15-S17 VanDerWaalsContact C-N 3.33Å; F15-S17 PolarHBondContact O-N 3.21Å; F15-R18 PolarHBondContact O-N 3.09Å; F15-A19 PolarHBondContact O-N 3.09Å
16L75.9Confident71.2Confident114 Ų11481.5 Ų81.560%0.59744%0.436SS*.Hα-helixtrans-61.6-42175.7-74.2166000111.4A12 R18 A19 V20A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 3.2Å; L16-R18 VanDerWaalsContact C-N 3.35Å; L16-R18 PolarHBondContact O-N 3.45Å; L16-A19 PolarHBondContact O-N 3.42Å; L16-V20 VanDerWaalsContact O-CG2 3.32Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.1Å
17S76.8Confident71.4Confident46 Ų4678.3 Ų78.332%0.32243%0.427SS..Hα-helixtrans-60.9-42.5177.2-59.10000112G13 T14 F15 V20 Q21G13-S17 WeakPolarHBondContact O-CB 3.42Å; G13-S17 PolarHBondContact O-N 3.24Å; G13-S17 PolarHBondContact O-OG 2.98Å; T14-S17 PolarHBondContact O-N 2.97Å; F15-S17 VanDerWaalsContact C-N 3.33Å; F15-S17 PolarHBondContact O-N 3.21Å; S17-V20 PolarHBondContact O-N 2.83Å; S17-Q21 WeakPolarHBondContact O-CB 3.43Å; S17-Q21 PolarHBondContact O-N 3.01Å
18R80.3Confident71.6Confident66 Ų6673.3 Ų73.325%0.24943%0.429CS..Hα-helixtrans-62.4-43.3174.4-70.6167.9-176.6159.40.6112.3T14 F15 L16 Q21 F22 L167 D168T14-R18 WeakPolarHBondContact O-CG 3.05Å; T14-R18 PolarHBondContact O-N 3.36Å; F15-R18 PolarHBondContact O-N 3.09Å; L16-R18 VanDerWaalsContact C-N 3.35Å; L16-R18 PolarHBondContact O-N 3.45Å; R18-Q21 PolarHBondContact O-N 2.89Å; R18-F22 WeakPolarHBondContact O-CB 3.43Å; R18-F22 PolarHBondContact O-N 2.84Å; R18-L167 HydrophobicContact CG-CB 4.4Å; R18-D168 WeakPolarHBondContact CG-OD1 3.35Å; R18-D168 IonicContact CZ-OD1 2.62Å; R18-D168 IonicContact CZ-OD2 2.64Å; R18-D168 IonicContact NE-OD1 3.38Å; R18-D168 PolarHBondContact NE-OD1 2.79Å; R18-D168 IonicContact NE-OD2 2.8Å; R18-D168 PolarHBondContact NE-OD2 3.33Å; R18-D168 IonicContact NH2-OD1 3.14Å; R18-D168 PolarHBondContact NH2-OD1 3.21Å; R18-D168 IonicContact NH2-OD2 3.01Å; R18-D168 PolarHBondContact NH2-OD2 3.12Å
19A70.2Confident71.3Confident43 Ų4374.9 Ų74.936%0.35543%0.433SS..Hα-helixtrans-65.1-40.4179.900000111.8F15 L16 T23F15-A19 PolarHBondContact O-N 3.09Å; L16-A19 PolarHBondContact O-N 3.42Å; A19-T23 WeakPolarHBondContact O-CB 3.47Å; A19-T23 PolarHBondContact O-N 3.15Å; A19-T23 PolarHBondContact O-OG1 2.82Å
20V78.6Confident71.3Confident78 Ų7872.9 Ų72.947%0.47342%0.416SS..Hα-helixtrans-61.7-51.9173.6171.20000110.2L16 S17 F22 T23 E24L16-V20 VanDerWaalsContact O-CG2 3.32Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.1Å; S17-V20 PolarHBondContact O-N 2.83Å; V20-F22 VanDerWaalsContact C-N 3.34Å; V20-F22 PolarHBondContact O-N 2.75Å; V20-T23 WeakPolarHBondContact O-CB 3.38Å; V20-T23 PolarHBondContact O-N 3.15Å; V20-T23 VanDerWaalsContact O-N 3.08Å; V20-E24 HydrophobicContact CG1-CG 4.31Å; V20-E24 WeakPolarHBondContact O-CG 3.29Å; V20-E24 PolarHBondContact O-N 2.72Å
21Q76.5Confident71.4Confident7 Ų776.8 Ų76.83%0.03343%0.425CS..Hα-helixtrans-57.2-46.1179.1-174.16434.500112.2S17 R18 T23 E24 E25 L167 D170S17-Q21 WeakPolarHBondContact O-CB 3.43Å; S17-Q21 PolarHBondContact O-N 3.01Å; R18-Q21 PolarHBondContact O-N 2.89Å; Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 2.84Å; Q21-E24 PolarHBondContact O-N 3.14Å; Q21-E25 WeakPolarHBondContact O-CG 3.39Å; Q21-E25 PolarHBondContact O-N 2.72Å; Q21-L167 HydrophobicContact CB-CD2 4.22Å; Q21-L167 HydrophobicContact CG-CD2 3.85Å; Q21-D170 HydrophobicContact CG-CB 3.95Å
22F70.3Confident71.8Confident83 Ų8377.7 Ų77.736%0.36442%0.424SS..Hα-helixtrans-60.6-38.8177.6-179-93.8000112.3R18 V20 K26 L167R18-F22 WeakPolarHBondContact O-CB 3.43Å; R18-F22 PolarHBondContact O-N 2.84Å; V20-F22 VanDerWaalsContact C-N 3.34Å; V20-F22 PolarHBondContact O-N 2.75Å; F22-K26 HydrophobicContact CD1-CG 4.47Å; F22-K26 HydrophobicContact CE1-CG 4.12Å; F22-K26 HydrophobicContact CZ-CG 4.36Å; F22-K26 WeakPolarHBondContact O-CG 3.38Å; F22-K26 PolarHBondContact O-N 2.88Å; F22-L167 HydrophobicContact CB-CD1 4.36Å; F22-L167 HydrophobicContact CB-CD2 4.17Å; F22-L167 HydrophobicContact CD2-CD1 4.46Å
23T69.3Low72.3Confident74 Ų7476.3 Ų76.345%0.45441%0.411SS..Hα-helixtrans-69.2-45.5178.3-55.60000110.7A19 V20 Q21 E25 K26 L27A19-T23 WeakPolarHBondContact O-CB 3.47Å; A19-T23 PolarHBondContact O-N 3.15Å; A19-T23 PolarHBondContact O-OG1 2.82Å; V20-T23 WeakPolarHBondContact O-CB 3.38Å; V20-T23 PolarHBondContact O-N 3.15Å; V20-T23 VanDerWaalsContact O-N 3.08Å; Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 2.84Å; T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 2.97Å; T23-K26 PolarHBondContact O-N 2.85Å; T23-K26 VanDerWaalsContact O-N 3.13Å; T23-L27 HydrophobicContact CG2-CD1 3.8Å; T23-L27 WeakPolarHBondContact O-CD1 3.18Å; T23-L27 PolarHBondContact O-N 3.21Å
24E72.9Confident72.6Confident61 Ų6182.6 Ų82.629%0.28543%0.432SS..Hα-helixtrans-63.6-36178.5-69.2-178170.500112.4V20 Q21 L27 G28 Q29 A30V20-E24 HydrophobicContact CG1-CG 4.31Å; V20-E24 WeakPolarHBondContact O-CG 3.29Å; V20-E24 PolarHBondContact O-N 2.72Å; Q21-E24 PolarHBondContact O-N 3.14Å; E24-L27 PolarHBondContact O-N 3.1Å; E24-G28 PolarHBondContact O-N 2.97Å; E24-Q29 HydrophobicContact CB-CB 4.5Å; E24-Q29 PolarHBondContact O-N 3.01Å; E24-A30 HydrophobicContact CB-CB 3.69Å; E24-A30 PolarHBondContact O-N 3.03Å
25E76Confident72.9Confident32 Ų3281.4 Ų81.415%0.1542%0.423CS..Hα-helixtrans-62.4-43.7171.1-76.9-178.8-155.400112.1Q21 T23 L27 G28 A30 K32 R166 L167Q21-E25 WeakPolarHBondContact O-CG 3.39Å; Q21-E25 PolarHBondContact O-N 2.72Å; T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 2.97Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 3.01Å; E25-G28 PolarHBondContact O-N 3.38Å; E25-G28 VanDerWaalsContact O-N 3.08Å; E25-A30 HydrophobicContact CG-CB 4.37Å; E25-K32 HydrophobicContact CG-CB 4.36Å; E25-R166 IonicContact OE1-CZ 2.76Å; E25-R166 IonicContact OE1-NE 3.66Å; E25-R166 IonicContact OE1-NH2 3.41Å; E25-R166 PolarHBondContact OE1-NH2 2.89Å; E25-R166 IonicContact OE2-CZ 3.89Å; E25-R166 IonicContact OE2-NH2 2.67Å; E25-R166 PolarHBondContact OE2-NH2 2.82Å; E25-L167 WeakPolarHBondContact OE1-CD2 3.45Å
26K70.2Confident73.5Confident157 Ų15779 Ų7968%0.68342%0.416SS*.Hα-helixtrans-67.6-28.5179.9-72.4-67.2-178.1-177.10112.9F22 T23 G28F22-K26 HydrophobicContact CD1-CG 4.47Å; F22-K26 HydrophobicContact CE1-CG 4.12Å; F22-K26 HydrophobicContact CZ-CG 4.36Å; F22-K26 WeakPolarHBondContact O-CG 3.38Å; F22-K26 PolarHBondContact O-N 2.88Å; T23-K26 PolarHBondContact O-N 2.85Å; T23-K26 VanDerWaalsContact O-N 3.13Å; K26-G28 VanDerWaalsContact C-N 3.31Å
27L66.6Low74.1Confident112 Ų11277.4 Ų77.459%0.58642%0.42SS*.THydrogen-bonded Turntrans-85.2-1.6173.6-84.481.8000113.2T23 E24 E25 Q29T23-L27 HydrophobicContact CG2-CD1 3.8Å; T23-L27 WeakPolarHBondContact O-CD1 3.18Å; T23-L27 PolarHBondContact O-N 3.21Å; E24-L27 PolarHBondContact O-N 3.1Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 3.01Å; L27-Q29 VanDerWaalsContact C-N 3.26Å; L27-Q29 HydrophobicContact CB-CG 4.21Å; L27-Q29 PolarHBondContact O-N 3.45Å
28G66.2Low74.8Confident67 Ų6780 Ų8069%0.69143%0.427SS*.THydrogen-bonded Turntrans72.215.9-178.900000114.4E24 E25 K26E24-G28 PolarHBondContact O-N 2.97Å; E25-G28 PolarHBondContact O-N 3.38Å; E25-G28 VanDerWaalsContact O-N 3.08Å; K26-G28 VanDerWaalsContact C-N 3.31Å
29Q58.8Low75.3Confident144 Ų14477 Ų7767%0.67342%0.415SS*.  trans-94.8-13.9-176.1-66-176.7-2.400113.3E24 L27E24-Q29 HydrophobicContact CB-CB 4.5Å; E24-Q29 PolarHBondContact O-N 3.01Å; L27-Q29 VanDerWaalsContact C-N 3.26Å; L27-Q29 HydrophobicContact CB-CG 4.21Å; L27-Q29 PolarHBondContact O-N 3.45Å
30A64.8Low76.3Confident20 Ų2079.6 Ų79.617%0.16542%0.421CS..SBendtrans-120.7140.7177.500000112.4E24 E25E24-A30 HydrophobicContact CB-CB 3.69Å; E24-A30 PolarHBondContact O-N 3.03Å; E25-A30 HydrophobicContact CG-CB 4.37Å
31E65.2Low77Confident142 Ų14280.4 Ų80.466%0.66442%0.422SS*.  trans-68.7131.2171.6-169.9179.7-173.200109.3K177E31-K177 IonicContact OE2-NZ 3.95Å; E31-K177 PolarHBondContact OE2-NZ 3.09Å
32K75.9Confident77.9Confident107 Ų10780.4 Ų80.447%0.46542%0.422SS..  trans-101.3128.7-178178.7-173.1170.3-154.50108.9E25 E34E25-K32 HydrophobicContact CG-CB 4.36Å; K32-E34 PolarHBondContact O-N 2.94Å; K32-E34 VanDerWaalsContact O-N 3.1Å
33T80.5Confident78.9Confident19 Ų1977.6 Ų77.612%0.11741%0.411CS..  trans-63.6115.7167.9-68.10000109.2R166 L169 D170 K173 F199T33-R166 HydrophobicContact CG2-CG 4.32Å; T33-R166 WeakPolarHBondContact O-CD 3.36Å; T33-L169 HydrophobicContact CG2-CD2 4.29Å; T33-D170 WeakPolarHBondContact CB-OD1 3.2Å; T33-D170 PolarHBondContact N-OD1 3.06Å; T33-D170 VanDerWaalsContact N-OD1 3.1Å; T33-D170 PolarHBondContact N-OD2 3.34Å; T33-D170 PolarHBondContact OG1-OD1 3.43Å; T33-K173 PolarHBondContact OG1-NZ 2.88Å; T33-F199 HydrophobicContact CG2-CE1 4.36Å; T33-F199 HydrophobicContact CG2-CZ 4.24Å
34E79.4Confident80.1Confident163 Ų16375.8 Ų75.876%0.76241%0.407SS*.PPolyproline II helixtrans-72.4141.8174.7-64.3-175.5167.700109.9K32K32-E34 PolarHBondContact O-N 2.94Å; K32-E34 VanDerWaalsContact O-N 3.1Å
35L82.4Confident81.1Confident37 Ų3778.1 Ų78.119%0.19441%0.413CS..PPolyproline II helixtrans-77.3152.3166.4-62.3179.3000107.6L39 E40 L43 L162 F199L35-L39 HydrophobicContact CB-CD2 4.41Å; L35-L39 HydrophobicContact CD1-CD2 4.4Å; L35-L39 HydrophobicContact CD2-CD2 4.12Å; L35-E40 HydrophobicContact CB-CG 3.77Å; L35-L43 HydrophobicContact CD1-CD1 3.74Å; L35-L162 HydrophobicContact CD1-CD2 4.48Å; L35-L162 HydrophobicContact CD2-CD2 4.26Å; L35-F199 HydrophobicContact CD2-CE2 4.15Å; L35-F199 HydrophobicContact CD2-CZ 3.85Å
36D86.5Confident81.9Confident86 Ų8676.7 Ų76.746%0.4641%0.407SS..PPolyproline II helixtrans-63.2150.3172.872.863.9000110.8H38 L39 E40D36-H38 PolarHBondContact O-N 2.91Å; D36-H38 VanDerWaalsContact O-N 3.16Å; D36-H38 WeakPolarHBondContact OD1-CA 3.46Å; D36-H38 WeakPolarHBondContact OD1-CB 3.35Å; D36-H38 PolarHBondContact OD1-N 3.46Å; D36-L39 PolarHBondContact O-N 3.22Å; D36-L39 WeakPolarHBondContact OD1-CB 3.45Å; D36-L39 PolarHBondContact OD1-N 3.44Å; D36-E40 PolarHBondContact O-N 2.91Å
37A88.6Confident83.1Confident82 Ų8271.9 Ų71.968%0.67839%0.387SS*.Hα-helixtrans-61-27.5-174.500000113.4N41A37-N41 WeakPolarHBondContact O-CB 3.41Å; A37-N41 PolarHBondContact O-N 3.11Å
38H91.3Very high84.4Confident99 Ų9970.9 Ų70.946%0.45838%0.382SS..Hα-helixtrans-71.6-45.2178.7176.2-102.2000110.9D36 N41 L42 E211D36-H38 PolarHBondContact O-N 2.91Å; D36-H38 VanDerWaalsContact O-N 3.16Å; D36-H38 WeakPolarHBondContact OD1-CA 3.46Å; D36-H38 WeakPolarHBondContact OD1-CB 3.35Å; D36-H38 PolarHBondContact OD1-N 3.46Å; H38-N41 WeakPolarHBondContact O-CB 3.32Å; H38-N41 PolarHBondContact O-N 2.78Å; H38-L42 VanDerWaalsContact CE1-CD1 3.42Å; H38-L42 WeakPolarHBondContact CE1-CD1 3.4Å; H38-L42 WeakPolarHBondContact O-CG 3.12Å; H38-L42 PolarHBondContact O-N 3.42Å; H38-E211 IonicContact CE1-OE1 3.59Å; H38-E211 PolarHBondContact CE1-OE1 3.4Å
39L90.8Very high85.8Confident3 Ų368.2 Ų68.22%0.01635%0.353CS..Hα-helixtrans-64.3-39.6175.9-176.158.9000111.7L35 D36 L42 L43 L162 A203 R207 L210L35-L39 HydrophobicContact CB-CD2 4.41Å; L35-L39 HydrophobicContact CD1-CD2 4.4Å; L35-L39 HydrophobicContact CD2-CD2 4.12Å; D36-L39 PolarHBondContact O-N 3.22Å; D36-L39 WeakPolarHBondContact OD1-CB 3.45Å; D36-L39 PolarHBondContact OD1-N 3.44Å; L39-L42 PolarHBondContact O-N 2.92Å; L39-L43 HydrophobicContact CG-CD1 4.42Å; L39-L43 WeakPolarHBondContact O-CB 3.47Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.37Å; L39-L43 PolarHBondContact O-N 2.86Å; L39-L162 HydrophobicContact CD2-CD2 3.99Å; L39-A203 HydrophobicContact CD2-CB 4.38Å; L39-R207 HydrophobicContact CD1-CB 4.17Å; L39-L210 HydrophobicContact CD1-CD1 3.67Å
40E91.7Very high87.5Confident99 Ų9963.4 Ų63.446%0.46333%0.329SS..Hα-helixtrans-62.1-41.9172.8-68.2-163.3156.500112.1L35 D36 L43 G44L35-E40 HydrophobicContact CB-CG 3.77Å; D36-E40 PolarHBondContact O-N 2.91Å; E40-L43 PolarHBondContact O-N 3Å; E40-G44 PolarHBondContact O-N 3.27Å
41N93.2Very high89Confident94 Ų9467.2 Ų67.250%0.50334%0.344SS..Hα-helixtrans-62-45.6175.3-173.1-89.2000111.8A37 H38 L43 G44 R45A37-N41 WeakPolarHBondContact O-CB 3.41Å; A37-N41 PolarHBondContact O-N 3.11Å; H38-N41 WeakPolarHBondContact O-CB 3.32Å; H38-N41 PolarHBondContact O-N 2.78Å; N41-L43 VanDerWaalsContact C-N 3.34Å; N41-L43 PolarHBondContact O-N 2.96Å; N41-G44 PolarHBondContact O-N 2.75Å; N41-R45 WeakPolarHBondContact O-CG 3.32Å; N41-R45 PolarHBondContact O-N 3.47Å; N41-R45 WeakPolarHBondContact OD1-CD 3.38Å
42L94.4Very high90.5Very high8 Ų867 Ų674%0.04234%0.337CS..Hα-helixtrans-59.9-42.6176.7-77.8178.1000112.1H38 L39 R45 A46 R207 L210 E211H38-L42 VanDerWaalsContact CE1-CD1 3.42Å; H38-L42 WeakPolarHBondContact CE1-CD1 3.4Å; H38-L42 WeakPolarHBondContact O-CG 3.12Å; H38-L42 PolarHBondContact O-N 3.42Å; L39-L42 PolarHBondContact O-N 2.92Å; L42-R45 PolarHBondContact O-N 2.81Å; L42-A46 WeakPolarHBondContact O-CB 3.1Å; L42-A46 PolarHBondContact O-N 2.81Å; L42-R207 HydrophobicContact CD1-CG 3.98Å; L42-L210 HydrophobicContact CB-CB 3.87Å; L42-L210 HydrophobicContact CB-CD1 3.96Å; L42-L210 HydrophobicContact CB-CG 4.49Å; L42-L210 HydrophobicContact CD1-CB 4.28Å; L42-L210 HydrophobicContact CG-CB 4.49Å; L42-E211 HydrophobicContact CD1-CG 3.82Å; L42-E211 HydrophobicContact CD2-CG 4.2Å
43L93.1Very high91.5Very high24 Ų2462.3 Ų62.313%0.12632%0.317CS..Hα-helixtrans-61.9-45.3175.4-77.1167.8000112L35 L39 E40 N41 A46 E47 R159 L210L35-L43 HydrophobicContact CD1-CD1 3.74Å; L39-L43 HydrophobicContact CG-CD1 4.42Å; L39-L43 WeakPolarHBondContact O-CB 3.47Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.37Å; L39-L43 PolarHBondContact O-N 2.86Å; E40-L43 PolarHBondContact O-N 3Å; N41-L43 VanDerWaalsContact C-N 3.34Å; N41-L43 PolarHBondContact O-N 2.96Å; L43-A46 PolarHBondContact O-N 3.12Å; L43-E47 PolarHBondContact O-N 2.86Å; L43-R159 HydrophobicContact CD2-CG 3.93Å; L43-L210 HydrophobicContact CD2-CD1 3.7Å; L43-L210 HydrophobicContact CD2-CD2 4.14Å; L43-L210 HydrophobicContact CG-CD1 3.76Å
44G93.1Very high92.2Very high36 Ų3665.3 Ų65.337%0.37133%0.33SS..Hα-helixtrans-62.3-43176.800000112.3E40 N41 N48E40-G44 PolarHBondContact O-N 3.27Å; N41-G44 PolarHBondContact O-N 2.75Å; G44-N48 PolarHBondContact O-N 2.89Å; G44-N48 VanDerWaalsContact O-N 3.09Å; G44-N48 PolarHBondContact O-ND2 2.91Å
45R93.6Very high93.1Very high109 Ų10963 Ų6341%0.41132%0.317SS..Hα-helixtrans-61.2-46.4174.7-74.9179.660.6-164.6-8.4111.9N41 L42 N48 T49 S214N41-R45 WeakPolarHBondContact O-CG 3.32Å; N41-R45 PolarHBondContact O-N 3.47Å; N41-R45 WeakPolarHBondContact OD1-CD 3.38Å; L42-R45 PolarHBondContact O-N 2.81Å; R45-N48 PolarHBondContact O-N 2.81Å; R45-T49 PolarHBondContact O-N 3.01Å; R45-T49 PolarHBondContact O-OG1 3Å; R45-T49 VanDerWaalsContact O-OG1 3.08Å; R45-S214 PolarHBondContact NH2-OG 2.84Å
46A94.6Very high93.8Very high3 Ų364.4 Ų64.43%0.02533%0.325CS..Hα-helixtrans-64.1-41.2-179.300000112.6L42 L43 T49 K50 F152 L210 V213L42-A46 WeakPolarHBondContact O-CB 3.1Å; L42-A46 PolarHBondContact O-N 2.81Å; L43-A46 PolarHBondContact O-N 3.12Å; A46-T49 WeakPolarHBondContact O-CB 3.37Å; A46-T49 PolarHBondContact O-N 2.58Å; A46-K50 PolarHBondContact O-N 3.24Å; A46-F152 HydrophobicContact CB-CE2 4.22Å; A46-F152 VanDerWaalsContact O-CE2 3.25Å; A46-F152 WeakPolarHBondContact O-CE2 3.44Å; A46-L210 HydrophobicContact CB-CD2 3.36Å; A46-V213 HydrophobicContact CB-CG2 4.21Å
47E94.4Very high94.2Very high56 Ų5661.6 Ų61.626%0.26231%0.309SS..Hα-helixtrans-63.9-43.2175.7-166.969.9-133.900111.4L43 T49 K50 Q51 R159L43-E47 PolarHBondContact O-N 2.86Å; E47-T49 VanDerWaalsContact C-N 3.33Å; E47-T49 PolarHBondContact O-N 2.82Å; E47-K50 PolarHBondContact O-N 3.14Å; E47-K50 WeakPolarHBondContact OE1-CD 3.43Å; E47-K50 IonicContact OE1-NZ 2.78Å; E47-K50 PolarHBondContact OE1-NZ 2.82Å; E47-K50 VanDerWaalsContact OE1-NZ 3.17Å; E47-Q51 WeakPolarHBondContact O-CB 3.19Å; E47-Q51 PolarHBondContact O-N 2.65Å; E47-R159 IonicContact OE2-NH1 2.76Å; E47-R159 PolarHBondContact OE2-NH1 2.83Å
48N94.7Very high94.5Very high90 Ų9063.8 Ų63.848%0.48130%0.303SS..Hα-helixtrans-58.9-45.6174-75.5-17000111.2G44 R45 K50 Q51 W52G44-N48 PolarHBondContact O-N 2.89Å; G44-N48 VanDerWaalsContact O-N 3.09Å; G44-N48 PolarHBondContact O-ND2 2.91Å; R45-N48 PolarHBondContact O-N 2.81Å; N48-K50 PolarHBondContact O-N 3.48Å; N48-Q51 PolarHBondContact O-N 3.2Å; N48-W52 PolarHBondContact O-N 3.38Å
49T94.8Very high94.8Very high12 Ų1264.5 Ų64.57%0.07431%0.307CS..Hα-helixtrans-56-51.8176.7-64.10000110.7R45 A46 E47 Q51 W52 T53 F147 V213 H217R45-T49 PolarHBondContact O-N 3.01Å; R45-T49 PolarHBondContact O-OG1 3Å; R45-T49 VanDerWaalsContact O-OG1 3.08Å; A46-T49 WeakPolarHBondContact O-CB 3.37Å; A46-T49 PolarHBondContact O-N 2.58Å; E47-T49 VanDerWaalsContact C-N 3.33Å; E47-T49 PolarHBondContact O-N 2.82Å; T49-Q51 PolarHBondContact O-N 3.23Å; T49-W52 PolarHBondContact O-N 3.49Å; T49-T53 WeakPolarHBondContact O-CB 3.3Å; T49-T53 PolarHBondContact O-N 3.45Å; T49-T53 PolarHBondContact O-OG1 3.41Å; T49-F147 HydrophobicContact CG2-CE1 3.97Å; T49-F147 HydrophobicContact CG2-CZ 3.93Å; T49-V213 HydrophobicContact CG2-CG1 3.82Å; T49-H217 WeakPolarHBondContact CG2-NE2 3.44Å; T49-H217 PolarHBondContact OG1-CE1 3.36Å; T49-H217 PolarHBondContact OG1-NE2 2.93Å
50K95.6Very high95.1Very high42 Ų4264.9 Ų64.918%0.18331%0.309CS..Hα-helixtrans-61.7-47.3179.6168.1-113.5-166.6-175.20112.5A46 E47 N48 W52 T53 E54 L148 F152A46-K50 PolarHBondContact O-N 3.24Å; E47-K50 PolarHBondContact O-N 3.14Å; E47-K50 WeakPolarHBondContact OE1-CD 3.43Å; E47-K50 IonicContact OE1-NZ 2.78Å; E47-K50 PolarHBondContact OE1-NZ 2.82Å; E47-K50 VanDerWaalsContact OE1-NZ 3.17Å; N48-K50 PolarHBondContact O-N 3.48Å; K50-W52 VanDerWaalsContact C-N 3.3Å; K50-W52 PolarHBondContact O-N 2.86Å; K50-T53 PolarHBondContact O-N 2.85Å; K50-E54 WeakPolarHBondContact CE-OE1 3.32Å; K50-E54 HydrophobicContact CG-CG 4.42Å; K50-E54 IonicContact NZ-OE2 3.46Å; K50-E54 WeakPolarHBondContact O-CB 3.35Å; K50-E54 WeakPolarHBondContact O-CG 3.43Å; K50-E54 PolarHBondContact O-N 3.18Å; K50-L148 HydrophobicContact CB-CD2 4.42Å; K50-L148 HydrophobicContact CG-CD2 3.91Å; K50-F152 HydrophobicContact CB-CD1 3.84Å; K50-F152 HydrophobicContact CB-CD2 3.78Å; K50-F152 HydrophobicContact CB-CE1 3.47Å; K50-F152 VanDerWaalsContact CB-CE1 3.47Å; K50-F152 HydrophobicContact CB-CE2 3.41Å; K50-F152 VanDerWaalsContact CB-CE2 3.41Å; K50-F152 HydrophobicContact CB-CG 3.97Å; K50-F152 HydrophobicContact CB-CZ 3.24Å; K50-F152 HydrophobicContact CD-CD1 4.08Å; K50-F152 HydrophobicContact CD-CE1 3.42Å; K50-F152 VanDerWaalsContact CD-CE1 3.42Å; K50-F152 HydrophobicContact CD-CZ 3.84Å; K50-F152 HydrophobicContact CG-CD1 3.51Å; K50-F152 HydrophobicContact CG-CD2 4.36Å; K50-F152 HydrophobicContact CG-CE1 3.3Å; K50-F152 HydrophobicContact CG-CE2 4.2Å; K50-F152 HydrophobicContact CG-CG 4.04Å; K50-F152 HydrophobicContact CG-CZ 3.67Å
51Q96.2Very high95.3Very high101 Ų10161.9 Ų61.947%0.47230%0.295SS..Hα-helixtrans-55.8-46.6179180-175.70.800111.6E47 N48 T49 K55E47-Q51 WeakPolarHBondContact O-CB 3.19Å; E47-Q51 PolarHBondContact O-N 2.65Å; N48-Q51 PolarHBondContact O-N 3.2Å; T49-Q51 PolarHBondContact O-N 3.23Å; Q51-K55 WeakPolarHBondContact O-CB 3.45Å; Q51-K55 PolarHBondContact O-N 3Å
52W95.7Very high95.4Very high136 Ų13659.8 Ų59.852%0.51529%0.286SS..Hα-helixtrans-74.6-37.9-178.3-74.8111000112.6N48 T49 K50 K55 I56N48-W52 PolarHBondContact O-N 3.38Å; T49-W52 PolarHBondContact O-N 3.49Å; K50-W52 VanDerWaalsContact C-N 3.3Å; K50-W52 PolarHBondContact O-N 2.86Å; W52-K55 HydrophobicContact CE3-CD 4.2Å; W52-K55 HydrophobicContact CZ3-CD 3.91Å; W52-K55 PolarHBondContact O-N 3.19Å; W52-I56 WeakPolarHBondContact O-CB 3.16Å; W52-I56 WeakPolarHBondContact O-CD1 3.45Å; W52-I56 WeakPolarHBondContact O-CG1 3.3Å; W52-I56 PolarHBondContact O-N 3.43Å
53T96.3Very high95.5Very high9 Ų964 Ų646%0.05531%0.308CS..Hα-helixtrans-59.9-46.5173.1-62.70000111.2T49 K50 M57 F144 F147 L148T49-T53 WeakPolarHBondContact O-CB 3.3Å; T49-T53 PolarHBondContact O-N 3.45Å; T49-T53 PolarHBondContact O-OG1 3.41Å; K50-T53 PolarHBondContact O-N 2.85Å; T53-M57 VanDerWaalsContact O-CB 3.25Å; T53-M57 WeakPolarHBondContact O-CB 3.48Å; T53-M57 PolarHBondContact O-N 3.07Å; T53-F144 HydrophobicContact CG2-CB 3.88Å; T53-F144 HydrophobicContact CG2-CD2 3.61Å; T53-F144 HydrophobicContact CG2-CE2 4.29Å; T53-F144 HydrophobicContact CG2-CG 3.8Å; T53-F147 HydrophobicContact CG2-CD1 4.11Å; T53-L148 HydrophobicContact CG2-CD1 4.09Å; T53-L148 HydrophobicContact CG2-CD2 4.18Å; T53-L148 HydrophobicContact CG2-CG 4.02Å
54E96.4Very high95.5Very high82 Ų8263.6 Ų63.638%0.38331%0.306SS..Hα-helixtrans-59.5-47.5175.5-75.6175.3161.900111.8K50 K58 L148K50-E54 WeakPolarHBondContact CE-OE1 3.32Å; K50-E54 HydrophobicContact CG-CG 4.42Å; K50-E54 IonicContact NZ-OE2 3.46Å; K50-E54 WeakPolarHBondContact O-CB 3.35Å; K50-E54 WeakPolarHBondContact O-CG 3.43Å; K50-E54 PolarHBondContact O-N 3.18Å; E54-K58 WeakPolarHBondContact O-CB 3.44Å; E54-K58 PolarHBondContact O-N 3.31Å; E54-L148 HydrophobicContact CB-CD1 4.45Å; E54-L148 HydrophobicContact CG-CD1 3.64Å; E54-L148 HydrophobicContact CG-CD2 3.65Å; E54-L148 HydrophobicContact CG-CG 4.28Å
55K97.3Very high95.5Very high114 Ų11464.2 Ų64.250%0.49630%0.299SS..Hα-helixtrans-65.2-45.4-177.3-172.7173.7179.7179.40111.9Q51 W52 K58 Q59Q51-K55 WeakPolarHBondContact O-CB 3.45Å; Q51-K55 PolarHBondContact O-N 3Å; W52-K55 HydrophobicContact CE3-CD 4.2Å; W52-K55 HydrophobicContact CZ3-CD 3.91Å; W52-K55 PolarHBondContact O-N 3.19Å; K55-K58 PolarHBondContact O-N 3.33Å; K55-Q59 WeakPolarHBondContact O-CG 3.11Å; K55-Q59 PolarHBondContact O-N 3.35Å; K55-Q59 VanDerWaalsContact O-N 3.1Å
56I96.7Very high95.5Very high68 Ų6863.3 Ų63.335%0.34931%0.307SS..Hα-helixtrans-63.8-48.4179.1-68.6165.4000109.8W52 K58 Q59 T60 F140 F144W52-I56 WeakPolarHBondContact O-CB 3.16Å; W52-I56 WeakPolarHBondContact O-CD1 3.45Å; W52-I56 WeakPolarHBondContact O-CG1 3.3Å; W52-I56 PolarHBondContact O-N 3.43Å; I56-K58 VanDerWaalsContact C-N 3.33Å; I56-K58 PolarHBondContact O-N 3.02Å; I56-Q59 PolarHBondContact O-N 3.34Å; I56-T60 PolarHBondContact O-N 2.87Å; I56-T60 PolarHBondContact O-OG1 3.45Å; I56-F140 HydrophobicContact CG2-CE1 4.05Å; I56-F140 HydrophobicContact CG2-CZ 3.66Å; I56-F144 HydrophobicContact CB-CE2 4.45Å; I56-F144 HydrophobicContact CG2-CE2 4.02Å
57M96Very high95.2Very high26 Ų2666.5 Ų66.513%0.12832%0.324CS..Hα-helixtrans-55.5-48.2178.5-170.9-179.87200111.5T53 Q59 T60 E61 L141 F144 R145 L148T53-M57 VanDerWaalsContact O-CB 3.25Å; T53-M57 WeakPolarHBondContact O-CB 3.48Å; T53-M57 PolarHBondContact O-N 3.07Å; M57-Q59 PolarHBondContact O-N 3.25Å; M57-T60 PolarHBondContact O-N 3.41Å; M57-E61 WeakPolarHBondContact O-CG 3.39Å; M57-E61 PolarHBondContact O-N 3.22Å; M57-L141 HydrophobicContact CG-CD2 3.73Å; M57-F144 HydrophobicContact CB-CB 4.46Å; M57-F144 HydrophobicContact CB-CD2 4.28Å; M57-F144 HydrophobicContact CG-CB 4.32Å; M57-F144 HydrophobicContact SD-CB 3.98Å; M57-R145 HydrophobicContact CE-CG 4.43Å; M57-R145 HydrophobicContact SD-CB 4.39Å; M57-R145 HydrophobicContact SD-CG 3.92Å; M57-L148 HydrophobicContact CE-CD1 3.71Å; M57-L148 HydrophobicContact SD-CD1 4.04Å
58K95.1Very high95Very high128 Ų12867.4 Ų67.456%0.55734%0.335SS*.Hα-helixtrans-62.2-39.4179.2-173.9176.6-178.9-1790112.8E54 K55 I56 E61 V62E54-K58 WeakPolarHBondContact O-CB 3.44Å; E54-K58 PolarHBondContact O-N 3.31Å; K55-K58 PolarHBondContact O-N 3.33Å; I56-K58 VanDerWaalsContact C-N 3.33Å; I56-K58 PolarHBondContact O-N 3.02Å; K58-E61 PolarHBondContact O-N 3.48Å; K58-V62 WeakPolarHBondContact O-CG2 3.46Å; K58-V62 PolarHBondContact O-N 2.92Å
59Q97.3Very high94.7Very high115 Ų11568.7 Ų68.754%0.53734%0.342SS..Hα-helixtrans-71-37.8178-69.5-58.8-34.700111.9K55 I56 M57 E61 V62 L63K55-Q59 WeakPolarHBondContact O-CG 3.11Å; K55-Q59 PolarHBondContact O-N 3.35Å; K55-Q59 VanDerWaalsContact O-N 3.1Å; I56-Q59 PolarHBondContact O-N 3.34Å; M57-Q59 PolarHBondContact O-N 3.25Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.87Å; Q59-V62 PolarHBondContact O-N 3.38Å; Q59-L63 PolarHBondContact O-N 3.26Å
60T97.3Very high94.4Very high11 Ų1168.6 Ų68.67%0.06734%0.341CS..Hα-helixtrans-64.9-38174-59.10000111.5I56 M57 V62 L63 L64 F140 L141 F227I56-T60 PolarHBondContact O-N 2.87Å; I56-T60 PolarHBondContact O-OG1 3.45Å; M57-T60 PolarHBondContact O-N 3.41Å; T60-V62 VanDerWaalsContact C-N 3.33Å; T60-V62 PolarHBondContact O-N 2.7Å; T60-L63 WeakPolarHBondContact O-CB 3.34Å; T60-L63 PolarHBondContact O-N 3.36Å; T60-L64 HydrophobicContact CG2-CD1 4.08Å; T60-L64 HydrophobicContact CG2-CG 4.25Å; T60-L64 VanDerWaalsContact O-CG 3.31Å; T60-L64 WeakPolarHBondContact O-CG 3.26Å; T60-L64 PolarHBondContact O-N 3.38Å; T60-F140 HydrophobicContact CG2-CD1 3.82Å; T60-F140 HydrophobicContact CG2-CE1 3.91Å; T60-F140 WeakPolarHBondContact OG1-CE1 3.44Å; T60-L141 HydrophobicContact CG2-CD2 3.9Å; T60-L141 HydrophobicContact CG2-CG 4.44Å; T60-F227 HydrophobicContact CG2-CE2 3.81Å; T60-F227 HydrophobicContact CG2-CZ 3.84Å
61E95.2Very high94.1Very high36 Ų3669.6 Ų69.617%0.16834%0.344CS..Hα-helixtrans-60.3-41172.5-73.7176172.200112.7M57 K58 Q59 L63 L64 Q65 L141 R145M57-E61 WeakPolarHBondContact O-CG 3.39Å; M57-E61 PolarHBondContact O-N 3.22Å; K58-E61 PolarHBondContact O-N 3.48Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.87Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L64 PolarHBondContact O-N 2.89Å; E61-Q65 CarbonylContact O-C 3.52Å; E61-Q65 PolarHBondContact O-N 2.77Å; E61-L141 HydrophobicContact CG-CD1 3.78Å; E61-L141 HydrophobicContact CG-CD2 4.13Å; E61-R145 IonicContact OE1-CZ 2.71Å; E61-R145 IonicContact OE1-NH1 3.53Å; E61-R145 PolarHBondContact OE1-NH1 2.95Å; E61-R145 IonicContact OE1-NH2 3.62Å; E61-R145 PolarHBondContact OE1-NH2 3.19Å
62V95.9Very high93.7Very high50 Ų5070 Ų7030%0.30335%0.349SS..Hα-helixtrans-65.5-38.1175.6173.30000111.3K58 Q59 T60 Q65 P66K58-V62 WeakPolarHBondContact O-CG2 3.46Å; K58-V62 PolarHBondContact O-N 2.92Å; Q59-V62 PolarHBondContact O-N 3.38Å; T60-V62 VanDerWaalsContact C-N 3.33Å; T60-V62 PolarHBondContact O-N 2.7Å; V62-Q65 CarbonylContact O-C 3.58Å; V62-P66 WeakPolarHBondContact O-CA 3.35Å; V62-P66 WeakPolarHBondContact O-CD 3.03Å; V62-P66 WeakPolarHBondContact O-CG 3.45Å; V62-P66 VanDerWaalsContact O-N 3.1Å
63L95.9Very high93.2Very high96 Ų9666.5 Ų66.550%0.50334%0.338SS..Hα-helixtrans-64.7-44.3176.2178.9145.9000112Q59 T60 E61 F132Q59-L63 PolarHBondContact O-N 3.26Å; T60-L63 WeakPolarHBondContact O-CB 3.34Å; T60-L63 PolarHBondContact O-N 3.36Å; E61-L63 VanDerWaalsContact C-N 3.33Å; L63-F132 HydrophobicContact CD2-CE1 4.18Å; L63-F132 HydrophobicContact CD2-CZ 4.08Å
64L94.3Very high92.7Very high15 Ų1570 Ų708%0.07935%0.353CS..Hα-helixtrans-75.8-32.4-178.8-63178.3000112.6T60 E61 F132 I133 L141T60-L64 HydrophobicContact CG2-CD1 4.08Å; T60-L64 HydrophobicContact CG2-CG 4.25Å; T60-L64 VanDerWaalsContact O-CG 3.31Å; T60-L64 WeakPolarHBondContact O-CG 3.26Å; T60-L64 PolarHBondContact O-N 3.38Å; E61-L64 PolarHBondContact O-N 2.89Å; L64-F132 HydrophobicContact CD2-CD1 4.17Å; L64-F132 HydrophobicContact CD2-CE1 3.49Å; L64-F132 VanDerWaalsContact CD2-CE1 3.49Å; L64-F132 HydrophobicContact CD2-CE2 4.4Å; L64-F132 HydrophobicContact CD2-CZ 3.62Å; L64-I133 HydrophobicContact CB-CG1 4.42Å; L64-I133 HydrophobicContact CB-CG2 4.48Å; L64-I133 HydrophobicContact CD2-CG1 4.23Å; L64-L141 HydrophobicContact CD1-CD1 3.87Å
65Q93.1Very high92.1Very high50 Ų5070.3 Ų70.323%0.23435%0.354CS..  trans-144.189.1178.4-176.756.9-82.700110.9E61 V62 N67 V70 R71E61-Q65 CarbonylContact O-C 3.52Å; E61-Q65 PolarHBondContact O-N 2.77Å; V62-Q65 CarbonylContact O-C 3.58Å; Q65-N67 PolarHBondContact O-N 3.36Å; Q65-V70 HydrophobicContact CG-CB 3.85Å; Q65-V70 HydrophobicContact CG-CG1 3.68Å; Q65-R71 HydrophobicContact CB-CG 3.74Å; Q65-R71 HydrophobicContact CG-CG 3.59Å; Q65-R71 WeakPolarHBondContact O-CD 3.38Å; Q65-R71 WeakPolarHBondContact O-CG 3.49Å; Q65-R71 PolarHBondContact O-NE 3.07Å
66P92.1Very high91.6Very high90 Ų9068 Ų6858%0.58435%0.349SS*.  trans-61-30.8-178.3-25.434.6000113.1V62 P68V62-P66 WeakPolarHBondContact O-CA 3.35Å; V62-P66 WeakPolarHBondContact O-CD 3.03Å; V62-P66 WeakPolarHBondContact O-CG 3.45Å; V62-P66 VanDerWaalsContact O-N 3.1Å; P66-P68 VanDerWaalsContact O-CD 3.27Å; P66-P68 WeakPolarHBondContact O-CD 3.42Å
67N89.8Confident91.1Very high70 Ų7068.2 Ų68.237%0.37435%0.346SS..  trans-72.5113.7-176.7-171.1-32.1000111.4Q65 N69 V70 R71Q65-N67 PolarHBondContact O-N 3.36Å; N67-N69 VanDerWaalsContact C-N 3.31Å; N67-N69 PolarHBondContact O-N 2.65Å; N67-N69 WeakPolarHBondContact OD1-CB 3.47Å; N67-N69 PolarHBondContact OD1-N 2.98Å; N67-V70 HydrophobicContact CB-CB 4.14Å; N67-V70 HydrophobicContact CB-CG2 3.72Å; N67-V70 PolarHBondContact O-N 2.92Å; N67-V70 PolarHBondContact OD1-N 3.28Å; N67-R71 PolarHBondContact O-N 2.79Å
68P89.3Confident90.5Very high75 Ų7572 Ų7249%0.48736%0.363SS..Hα-helixtrans-66.3-31.1-17727.6-34.8000113.3P66 V70 R71 L72P66-P68 VanDerWaalsContact O-CD 3.27Å; P66-P68 WeakPolarHBondContact O-CD 3.42Å; P68-V70 VanDerWaalsContact C-N 3.33Å; P68-R71 PolarHBondContact O-N 3.39Å; P68-L72 WeakPolarHBondContact O-CB 3.37Å; P68-L72 PolarHBondContact O-N 3.24Å
69N89Confident89.9Confident117 Ų11771.3 Ų71.363%0.62636%0.36SS*.Hα-helixtrans-67.9-38.5179.1-64-36.4000110.8N67 L72 E73N67-N69 VanDerWaalsContact C-N 3.31Å; N67-N69 PolarHBondContact O-N 2.65Å; N67-N69 WeakPolarHBondContact OD1-CB 3.47Å; N67-N69 PolarHBondContact OD1-N 2.98Å; N69-L72 PolarHBondContact O-N 3.09Å; N69-E73 WeakPolarHBondContact O-CB 3.46Å; N69-E73 PolarHBondContact O-N 3.15Å
70V87.6Confident89.3Confident10 Ų1070.6 Ų70.66%0.06136%0.36CS..Hα-helixtrans-65.7-46177.2177.20000110.6Q65 N67 P68 L72 E73 E74 R87Q65-V70 HydrophobicContact CG-CB 3.85Å; Q65-V70 HydrophobicContact CG-CG1 3.68Å; N67-V70 HydrophobicContact CB-CB 4.14Å; N67-V70 HydrophobicContact CB-CG2 3.72Å; N67-V70 PolarHBondContact O-N 2.92Å; N67-V70 PolarHBondContact OD1-N 3.28Å; P68-V70 VanDerWaalsContact C-N 3.33Å; V70-L72 VanDerWaalsContact C-N 3.34Å; V70-L72 PolarHBondContact O-N 3.19Å; V70-E73 PolarHBondContact O-N 3.02Å; V70-E74 HydrophobicContact CG1-CG 4.43Å; V70-E74 WeakPolarHBondContact CG1-OE1 3.47Å; V70-E74 WeakPolarHBondContact O-CG 3.28Å; V70-E74 PolarHBondContact O-N 2.97Å; V70-R87 VanDerWaalsContact CG1-NH2 3.32Å
71R89.5Confident88.6Confident63 Ų6379.1 Ų79.124%0.23840%0.399CS..Hα-helixtrans-60.4-42.4177-69.6-170.2-72.2118.42.6112.5Q65 N67 P68 E74 F75Q65-R71 HydrophobicContact CB-CG 3.74Å; Q65-R71 HydrophobicContact CG-CG 3.59Å; Q65-R71 WeakPolarHBondContact O-CD 3.38Å; Q65-R71 WeakPolarHBondContact O-CG 3.49Å; Q65-R71 PolarHBondContact O-NE 3.07Å; N67-R71 PolarHBondContact O-N 2.79Å; P68-R71 PolarHBondContact O-N 3.39Å; R71-E74 PolarHBondContact O-N 3.5Å; R71-F75 WeakPolarHBondContact O-CB 3.46Å; R71-F75 PolarHBondContact O-N 3.33Å
72L87.8Confident88.1Confident110 Ų11083.7 Ų83.758%0.57642%0.418SS*.Hα-helixtrans-63.6-43.3177.4179.361.7000111.5P68 N69 V70 F75 V76P68-L72 WeakPolarHBondContact O-CB 3.37Å; P68-L72 PolarHBondContact O-N 3.24Å; N69-L72 PolarHBondContact O-N 3.09Å; V70-L72 VanDerWaalsContact C-N 3.34Å; V70-L72 PolarHBondContact O-N 3.19Å; L72-F75 PolarHBondContact O-N 3.3Å; L72-V76 WeakPolarHBondContact O-CG2 3.2Å; L72-V76 PolarHBondContact O-N 3.5Å
73E85.8Confident87.2Confident61 Ų6190.5 Ų90.529%0.28544%0.443SS..Hα-helixtrans-62.4-47.4177.3-175.3-177.1162.800111.4N69 V70 F75 V76 Y77 R87N69-E73 WeakPolarHBondContact O-CB 3.46Å; N69-E73 PolarHBondContact O-N 3.15Å; V70-E73 PolarHBondContact O-N 3.02Å; E73-F75 VanDerWaalsContact C-N 3.31Å; E73-F75 PolarHBondContact O-N 3.3Å; E73-V76 WeakPolarHBondContact O-CB 3.37Å; E73-V76 PolarHBondContact O-N 3.37Å; E73-V76 VanDerWaalsContact O-N 3.08Å; E73-Y77 HydrophobicContact CG-CD2 3.8Å; E73-Y77 HydrophobicContact CG-CE2 3.65Å; E73-Y77 VanDerWaalsContact O-CD2 3.28Å; E73-Y77 WeakPolarHBondContact O-CD2 3.47Å; E73-Y77 PolarHBondContact O-N 2.98Å; E73-R87 IonicContact OE1-NH2 3.83Å; E73-R87 IonicContact OE2-CZ 3.7Å; E73-R87 IonicContact OE2-NH1 3.13Å; E73-R87 PolarHBondContact OE2-NH1 3.21Å; E73-R87 IonicContact OE2-NH2 2.65Å; E73-R87 PolarHBondContact OE2-NH2 3.29Å
74E85.1Confident86.3Confident83 Ų8387.7 Ų87.739%0.38843%0.434SS..Hα-helixtrans-56.6-44.3175.9-74.9171.3-175.800111.9V70 R71 V76 Y77 E78V70-E74 HydrophobicContact CG1-CG 4.43Å; V70-E74 WeakPolarHBondContact CG1-OE1 3.47Å; V70-E74 WeakPolarHBondContact O-CG 3.28Å; V70-E74 PolarHBondContact O-N 2.97Å; R71-E74 PolarHBondContact O-N 3.5Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 3.21Å; E74-Y77 PolarHBondContact O-N 3.35Å; E74-E78 WeakPolarHBondContact O-CB 3.36Å; E74-E78 PolarHBondContact O-N 3.06Å
75F84.8Confident85.6Confident88 Ų8890 Ų9039%0.38645%0.45SS..Hα-helixtrans-59.7-41174.8174.8-98000112.7R71 L72 E73 E78 K79R71-F75 WeakPolarHBondContact O-CB 3.46Å; R71-F75 PolarHBondContact O-N 3.33Å; L72-F75 PolarHBondContact O-N 3.3Å; E73-F75 VanDerWaalsContact C-N 3.31Å; E73-F75 PolarHBondContact O-N 3.3Å; F75-E78 PolarHBondContact O-N 3.28Å; F75-K79 HydrophobicContact CD1-CG 4.46Å; F75-K79 HydrophobicContact CE1-CG 3.98Å; F75-K79 HydrophobicContact CE2-CD 4.48Å; F75-K79 HydrophobicContact CE2-CG 4.07Å; F75-K79 HydrophobicContact CZ-CD 4.32Å; F75-K79 HydrophobicContact CZ-CG 3.78Å; F75-K79 WeakPolarHBondContact O-CG 3.5Å; F75-K79 PolarHBondContact O-N 3.35Å
76V85.9Confident84.7Confident66 Ų6692.5 Ų92.540%0.448%0.479SS..Hα-helixtrans-65.7-44.1177.6170.30000111L72 E73 E74 K79 L80L72-V76 WeakPolarHBondContact O-CG2 3.2Å; L72-V76 PolarHBondContact O-N 3.5Å; E73-V76 WeakPolarHBondContact O-CB 3.37Å; E73-V76 PolarHBondContact O-N 3.37Å; E73-V76 VanDerWaalsContact O-N 3.08Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 3.21Å; V76-K79 PolarHBondContact O-N 2.84Å; V76-L80 HydrophobicContact CG1-CD1 3.78Å; V76-L80 HydrophobicContact CG1-CG 4.4Å; V76-L80 WeakPolarHBondContact O-CB 3.4Å; V76-L80 VanDerWaalsContact O-CG 3.26Å; V76-L80 WeakPolarHBondContact O-CG 3.23Å; V76-L80 PolarHBondContact O-N 3.11Å
77Y85.6Confident84.1Confident73 Ų7393.1 Ų93.129%0.28647%0.47SS..Hα-helixtrans-62.7-42.3176.5-85.4-77.8000112E73 E74 L80 E81 K82 A84 P85E73-Y77 HydrophobicContact CG-CD2 3.8Å; E73-Y77 HydrophobicContact CG-CE2 3.65Å; E73-Y77 VanDerWaalsContact O-CD2 3.28Å; E73-Y77 WeakPolarHBondContact O-CD2 3.47Å; E73-Y77 PolarHBondContact O-N 2.98Å; E74-Y77 PolarHBondContact O-N 3.35Å; Y77-L80 CarbonylContact O-C 3.5Å; Y77-L80 PolarHBondContact O-N 3Å; Y77-E81 PolarHBondContact O-N 3.01Å; Y77-E81 VanDerWaalsContact O-N 3.15Å; Y77-K82 CarbonylContact C-O 3.57Å; Y77-K82 HydrophobicContact CD1-CB 3.7Å; Y77-K82 HydrophobicContact CE1-CB 4.3Å; Y77-K82 PolarHBondContact O-N 3.5Å; Y77-K82 VanDerWaalsContact O-O 3.12Å; Y77-A84 HydrophobicContact CD2-CB 4.12Å; Y77-A84 HydrophobicContact CG-CB 3.97Å; Y77-P85 HydrophobicContact CE2-CG 4.34Å
78E83.6Confident83.9Confident104 Ų10495.7 Ų95.749%0.48648%0.482SS..Hα-helixtrans-58.1-49.2174.2-173.3-176.4-164.800111.2E74 F75 L80 E81 R145E74-E78 WeakPolarHBondContact O-CB 3.36Å; E74-E78 PolarHBondContact O-N 3.06Å; F75-E78 PolarHBondContact O-N 3.28Å; E78-L80 VanDerWaalsContact C-N 3.28Å; E78-L80 PolarHBondContact O-N 3.45Å; E78-E81 PolarHBondContact O-N 2.98Å; E78-E81 VanDerWaalsContact O-N 3.09Å; E78-R145 IonicContact OE2-NE 2.77Å
79K82.4Confident84Confident114 Ų11493.1 Ų93.150%0.49647%0.465SS..Hα-helixtrans-67.1-25.4178.4-72.9-60.9-176.6-159.60114.2F75 V76 E81 E149F75-K79 HydrophobicContact CD1-CG 4.46Å; F75-K79 HydrophobicContact CE1-CG 3.98Å; F75-K79 HydrophobicContact CE2-CD 4.48Å; F75-K79 HydrophobicContact CE2-CG 4.07Å; F75-K79 HydrophobicContact CZ-CD 4.32Å; F75-K79 HydrophobicContact CZ-CG 3.78Å; F75-K79 WeakPolarHBondContact O-CG 3.5Å; F75-K79 PolarHBondContact O-N 3.35Å; V76-K79 PolarHBondContact O-N 2.84Å; K79-E81 VanDerWaalsContact C-N 3.3Å; K79-E149 IonicContact NZ-OE1 2.83Å; K79-E149 IonicContact NZ-OE2 3.67Å
80L86.5Confident84.3Confident101 Ų10194 Ų9453%0.52947%0.469SS..THydrogen-bonded Turntrans-87.71.2175.2-68.3174.9000113.1V76 Y77 E78 K82V76-L80 HydrophobicContact CG1-CD1 3.78Å; V76-L80 HydrophobicContact CG1-CG 4.4Å; V76-L80 WeakPolarHBondContact O-CB 3.4Å; V76-L80 VanDerWaalsContact O-CG 3.26Å; V76-L80 WeakPolarHBondContact O-CG 3.23Å; V76-L80 PolarHBondContact O-N 3.11Å; Y77-L80 CarbonylContact O-C 3.5Å; Y77-L80 PolarHBondContact O-N 3Å; E78-L80 VanDerWaalsContact C-N 3.28Å; E78-L80 PolarHBondContact O-N 3.45Å; L80-K82 HydrophobicContact CB-CB 4.39Å; L80-K82 HydrophobicContact CB-CD 4.24Å; L80-K82 HydrophobicContact CB-CG 4.22Å; L80-K82 PolarHBondContact O-N 3.22Å; L80-K82 VanDerWaalsContact O-N 3.16Å
81E81.6Confident84.7Confident189 Ų18995.9 Ų95.988%0.88348%0.477SS*.THydrogen-bonded Turntrans52.632.4-173.5-59.4-179171.100112.4Y77 E78 K79Y77-E81 PolarHBondContact O-N 3.01Å; Y77-E81 VanDerWaalsContact O-N 3.15Å; E78-E81 PolarHBondContact O-N 2.98Å; E78-E81 VanDerWaalsContact O-N 3.09Å; K79-E81 VanDerWaalsContact C-N 3.3Å
82K83.8Confident85Confident132 Ų13294 Ų9457%0.57447%0.472SS*.  trans-107.3145.9179.4-74.9-179.9-177.5-179.20109.8Y77 L80 A84Y77-K82 CarbonylContact C-O 3.57Å; Y77-K82 HydrophobicContact CD1-CB 3.7Å; Y77-K82 HydrophobicContact CE1-CB 4.3Å; Y77-K82 PolarHBondContact O-N 3.5Å; Y77-K82 VanDerWaalsContact O-O 3.12Å; L80-K82 HydrophobicContact CB-CB 4.39Å; L80-K82 HydrophobicContact CB-CD 4.24Å; L80-K82 HydrophobicContact CB-CG 4.22Å; L80-K82 PolarHBondContact O-N 3.22Å; L80-K82 VanDerWaalsContact O-N 3.16Å; K82-A84 PolarHBondContact O-N 2.97Å
83K78.1Confident85.5Confident193 Ų19393.5 Ų93.584%0.83947%0.469SS*.PPolyproline II helixtrans-69.1119.8173.8-169.6173.5-179.8178.20109.5
84A77.1Confident86Confident37 Ų3794.6 Ų94.631%0.30648%0.477SS..PPolyproline II helixtrans-61145.2171.700000110.3Y77 K82 A86Y77-A84 HydrophobicContact CD2-CB 4.12Å; Y77-A84 HydrophobicContact CG-CB 3.97Å; K82-A84 PolarHBondContact O-N 2.97Å; A84-A86 PolarHBondContact O-N 2.83Å
85P78.9Confident86.7Confident64 Ų6490.7 Ų90.742%0.41646%0.458SS..PPolyproline II helixtrans-59.4137175.123.7-31.5000110.3Y77 R87Y77-P85 HydrophobicContact CE2-CG 4.34Å; P85-R87 PolarHBondContact O-N 3.45Å
86A75.4Confident87.3Confident102 Ų10291.5 Ų91.584%0.84346%0.463SS*.  trans-69.4104.8175.200000108.8A84A84-A86 PolarHBondContact O-N 2.83Å
87R79.2Confident87.9Confident103 Ų10391.3 Ų91.339%0.38947%0.465SS..PPolyproline II helixtrans-78.3139173.6-78.1-171.2-116.5-116.4-6.1110.6V70 E73 P85V70-R87 VanDerWaalsContact CG1-NH2 3.32Å; E73-R87 IonicContact OE1-NH2 3.83Å; E73-R87 IonicContact OE2-CZ 3.7Å; E73-R87 IonicContact OE2-NH1 3.13Å; E73-R87 PolarHBondContact OE2-NH1 3.21Å; E73-R87 IonicContact OE2-NH2 2.65Å; E73-R87 PolarHBondContact OE2-NH2 3.29Å; P85-R87 PolarHBondContact O-N 3.45Å
88I85.8Confident88.5Confident124 Ų12489.7 Ų89.764%0.63646%0.46SS*.PPolyproline II helixtrans-74.3127.8167.8-64.1177.8000106.5D92 L93I88-D92 HydrophobicContact CG2-CB 3.47Å; I88-D92 VanDerWaalsContact CG2-CB 3.47Å; I88-L93 HydrophobicContact CG2-CB 4.23Å
89N91.1Very high89.2Confident22 Ų2286.7 Ų86.712%0.11845%0.447CS..PPolyproline II helixtrans-81.1171175.966.418.5000111.4H91 D92 L93 G126 E129N89-H91 VanDerWaalsContact C-N 3.25Å; N89-H91 PolarHBondContact O-N 3.36Å; N89-H91 PolarHBondContact OD1-N 3.43Å; N89-D92 PolarHBondContact O-N 3.12Å; N89-D92 VanDerWaalsContact OD1-CB 3.31Å; N89-D92 WeakPolarHBondContact OD1-CB 3.34Å; N89-D92 PolarHBondContact OD1-N 3.28Å; N89-D92 PolarHBondContact OD1-OD2 3.22Å; N89-L93 PolarHBondContact O-N 3.01Å; N89-G126 VanDerWaalsContact ND2-CA 3.33Å; N89-G126 WeakPolarHBondContact ND2-CA 3.47Å; N89-G126 PolarHBondContact ND2-O 3.12Å; N89-E129 WeakPolarHBondContact CB-OE2 3.27Å; N89-E129 VanDerWaalsContact CG-OE2 3.23Å; N89-E129 PolarHBondContact ND2-OE2 3.43Å
90N94.6Very high90Very high135 Ų13586.2 Ų86.272%0.72245%0.447SS*.Hα-helixtrans-61.8-36.2-174.7-64.5-19.7000112.1L93 L94N90-L93 PolarHBondContact O-N 2.67Å; N90-L94 WeakPolarHBondContact O-CB 3.4Å; N90-L94 PolarHBondContact O-N 3.01Å
91H97.1Very high90.5Very high50 Ų5083 Ų8323%0.23144%0.435CS..Hα-helixtrans-65.2-44.1176.6-74-69.6000112.5N89 L93 G95 Q122 E129N89-H91 VanDerWaalsContact C-N 3.25Å; N89-H91 PolarHBondContact O-N 3.36Å; N89-H91 PolarHBondContact OD1-N 3.43Å; H91-L93 VanDerWaalsContact C-N 3.34Å; H91-G95 PolarHBondContact O-N 3.45Å; H91-Q122 PolarHBondContact ND1-OE1 2.88Å; H91-E129 IonicContact CD2-OE2 3.7Å
92D95.6Very high91.3Very high22 Ų2274 Ų7412%0.11839%0.393CS..Hα-helixtrans-63.9-40.5176-71.1-42.1000111.4I88 N89 G95 H96 R130I88-D92 HydrophobicContact CG2-CB 3.47Å; I88-D92 VanDerWaalsContact CG2-CB 3.47Å; N89-D92 PolarHBondContact O-N 3.12Å; N89-D92 VanDerWaalsContact OD1-CB 3.31Å; N89-D92 WeakPolarHBondContact OD1-CB 3.34Å; N89-D92 PolarHBondContact OD1-N 3.28Å; N89-D92 PolarHBondContact OD1-OD2 3.22Å; D92-G95 PolarHBondContact O-N 3.17Å; D92-H96 WeakPolarHBondContact O-CB 3.39Å; D92-H96 PolarHBondContact O-N 3.01Å; D92-R130 IonicContact OD1-NH1 3.47Å; D92-R130 PolarHBondContact OD1-NH1 3.07Å; D92-R130 IonicContact OD2-CZ 3.75Å; D92-R130 IonicContact OD2-NH1 3.54Å; D92-R130 PolarHBondContact OD2-NH1 3.06Å
93L96.5Very high91.9Very high100 Ų10071 Ų7152%0.52439%0.389SS..Hα-helixtrans-63.8-50.2178.8-17664.8000111.2I88 N89 N90 H91 G95 H96 S97I88-L93 HydrophobicContact CG2-CB 4.23Å; N89-L93 PolarHBondContact O-N 3.01Å; N90-L93 PolarHBondContact O-N 2.67Å; H91-L93 VanDerWaalsContact C-N 3.34Å; L93-G95 VanDerWaalsContact C-N 3.35Å; L93-G95 PolarHBondContact O-N 3.25Å; L93-H96 PolarHBondContact O-N 2.76Å; L93-S97 PolarHBondContact O-N 2.64Å; L93-S97 PolarHBondContact O-OG 3.43Å
94L98.1Very high92.8Very high85 Ų8568.3 Ų68.345%0.44538%0.383SS..Hα-helixtrans-59.9-47175.4176.161.4000110.9N90 H96 S97 M98 Q122N90-L94 WeakPolarHBondContact O-CB 3.4Å; N90-L94 PolarHBondContact O-N 3.01Å; L94-H96 VanDerWaalsContact C-N 3.28Å; L94-H96 PolarHBondContact O-N 2.8Å; L94-S97 PolarHBondContact O-N 3.04Å; L94-M98 HydrophobicContact CD1-CG 4.04Å; L94-M98 HydrophobicContact CD1-SD 4.08Å; L94-M98 HydrophobicContact CD2-SD 4.5Å; L94-M98 HydrophobicContact CG-CG 4.34Å; L94-M98 HydrophobicContact CG-SD 3.98Å; L94-M98 VanDerWaalsContact O-CG 3.3Å; L94-M98 WeakPolarHBondContact O-CG 3.31Å; L94-M98 PolarHBondContact O-N 3.43Å; L94-Q122 HydrophobicContact CD2-CG 4.1Å; L94-Q122 HydrophobicContact CG-CG 4.39Å
95G98.3Very high93.7Very high0 Ų072 Ų720%039%0.392CS..Hα-helixtrans-59.8-38.7179.900000112.7H91 D92 L93 I99 G119H91-G95 PolarHBondContact O-N 3.45Å; D92-G95 PolarHBondContact O-N 3.17Å; L93-G95 VanDerWaalsContact C-N 3.35Å; L93-G95 PolarHBondContact O-N 3.25Å; G95-I99 WeakPolarHBondContact O-CD1 3.33Å; G95-I99 VanDerWaalsContact O-CG1 3.23Å; G95-I99 WeakPolarHBondContact O-CG1 3.48Å; G95-I99 PolarHBondContact O-N 3.35Å; G95-I99 VanDerWaalsContact O-N 3.11Å; G95-G119 WeakPolarHBondContact CA-O 3.37Å
96H98Very high94.1Very high106 Ų10669.7 Ų69.749%0.49138%0.381SS..Hα-helixtrans-61.3-51.9174.8-176.945.6000112.1D92 L93 L94 M98 I99 E100D92-H96 WeakPolarHBondContact O-CB 3.39Å; D92-H96 PolarHBondContact O-N 3.01Å; L93-H96 PolarHBondContact O-N 2.76Å; L94-H96 VanDerWaalsContact C-N 3.28Å; L94-H96 PolarHBondContact O-N 2.8Å; H96-M98 VanDerWaalsContact C-N 3.32Å; H96-M98 PolarHBondContact O-N 3.42Å; H96-I99 PolarHBondContact O-N 3.4Å; H96-E100 PolarHBondContact O-N 2.63Å
97S98.4Very high94.7Very high61 Ų6170 Ų7043%0.42737%0.374SS..Hα-helixtrans-62.7-36.6179.7-60.70000112.8L93 L94 A101L93-S97 PolarHBondContact O-N 2.64Å; L93-S97 PolarHBondContact O-OG 3.43Å; L94-S97 PolarHBondContact O-N 3.04Å; S97-A101 VanDerWaalsContact O-CB 3.24Å; S97-A101 WeakPolarHBondContact O-CB 3.41Å; S97-A101 PolarHBondContact O-N 3.39Å
98M98.4Very high95Very high39 Ų3969 Ų6919%0.19240%0.396CS..Hα-helixtrans-66.9-40.7177.1-68.7-175.58700112.5L94 H96 G102 L115 C118 Q122L94-M98 HydrophobicContact CD1-CG 4.04Å; L94-M98 HydrophobicContact CD1-SD 4.08Å; L94-M98 HydrophobicContact CD2-SD 4.5Å; L94-M98 HydrophobicContact CG-CG 4.34Å; L94-M98 HydrophobicContact CG-SD 3.98Å; L94-M98 VanDerWaalsContact O-CG 3.3Å; L94-M98 WeakPolarHBondContact O-CG 3.31Å; L94-M98 PolarHBondContact O-N 3.43Å; H96-M98 VanDerWaalsContact C-N 3.32Å; H96-M98 PolarHBondContact O-N 3.42Å; M98-G102 PolarHBondContact O-N 3.43Å; M98-L115 HydrophobicContact CE-CD2 3.84Å; M98-C118 HydrophobicContact CE-CB 3.28Å; M98-C118 HydrophobicContact SD-CB 4.1Å; M98-Q122 HydrophobicContact SD-CG 4.29Å
99I98.4Very high95.3Very high42 Ų4265.6 Ų65.622%0.21538%0.381CS..Hα-helixtrans-68.3-43.2178.2-68.3165.2000110.7G95 H96 G102 S103 E120 K123G95-I99 WeakPolarHBondContact O-CD1 3.33Å; G95-I99 VanDerWaalsContact O-CG1 3.23Å; G95-I99 WeakPolarHBondContact O-CG1 3.48Å; G95-I99 PolarHBondContact O-N 3.35Å; G95-I99 VanDerWaalsContact O-N 3.11Å; H96-I99 PolarHBondContact O-N 3.4Å; I99-G102 PolarHBondContact O-N 3.21Å; I99-S103 WeakPolarHBondContact O-CB 3.43Å; I99-S103 PolarHBondContact O-N 3.43Å; I99-S103 PolarHBondContact O-OG 2.82Å; I99-E120 HydrophobicContact CD1-CG 4.36Å; I99-K123 HydrophobicContact CD1-CD 3.66Å
100E98.2Very high95.2Very high104 Ų10466.7 Ų66.749%0.48639%0.393SS..Hα-helixtrans-60.5-52.6176.3-174.9175.9-152.600110.6H96 G102 S103 D104H96-E100 PolarHBondContact O-N 2.63Å; E100-G102 VanDerWaalsContact C-N 3.33Å; E100-G102 PolarHBondContact O-N 2.88Å; E100-S103 WeakPolarHBondContact O-CB 3.4Å; E100-S103 PolarHBondContact O-N 2.97Å; E100-S103 VanDerWaalsContact O-N 3.09Å; E100-D104 PolarHBondContact O-N 3.06Å
101A98.1Very high95.2Very high34 Ų3466.7 Ų66.728%0.28138%0.384SS..Hα-helixtrans-57.5-45.1176.800000112.1S97 S103 D104 F105 L115S97-A101 VanDerWaalsContact O-CB 3.24Å; S97-A101 WeakPolarHBondContact O-CB 3.41Å; S97-A101 PolarHBondContact O-N 3.39Å; A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.3Å; A101-D104 PolarHBondContact O-N 2.86Å; A101-F105 HydrophobicContact CB-CE2 4.47Å; A101-F105 WeakPolarHBondContact O-CD2 3.29Å; A101-F105 PolarHBondContact O-N 3.05Å; A101-L115 HydrophobicContact CB-CD1 4.22Å
102G97.6Very high95.1Very high0 Ų064.3 Ų64.30%037%0.373CS..Hα-helixtrans-63.8-32.717900000113.4M98 I99 E100 G106M98-G102 PolarHBondContact O-N 3.43Å; I99-G102 PolarHBondContact O-N 3.21Å; E100-G102 VanDerWaalsContact C-N 3.33Å; E100-G102 PolarHBondContact O-N 2.88Å; G102-G106 PolarHBondContact O-N 3.36Å
103S97.1Very high95.1Very high69 Ų6965.8 Ų65.848%0.48338%0.381SS..Hα-helixtrans-69.7-41174-570000111.6I99 E100 A101 G106I99-S103 WeakPolarHBondContact O-CB 3.43Å; I99-S103 PolarHBondContact O-N 3.43Å; I99-S103 PolarHBondContact O-OG 2.82Å; E100-S103 WeakPolarHBondContact O-CB 3.4Å; E100-S103 PolarHBondContact O-N 2.97Å; E100-S103 VanDerWaalsContact O-N 3.09Å; A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.3Å; S103-G106 WeakPolarHBondContact O-CA 3.4Å; S103-G106 PolarHBondContact O-N 3.42Å; S103-G106 VanDerWaalsContact O-N 3.09Å
104D97.5Very high95Very high135 Ų13562.2 Ų62.272%0.72237%0.365SS*.Hα-helixtrans-68.3-37178.6-76.7-4.2000113E100 A101 G106E100-D104 PolarHBondContact O-N 3.06Å; A101-D104 PolarHBondContact O-N 2.86Å; D104-G106 PolarHBondContact O-N 3.2Å
105F95.4Very high95Very high114 Ų11459 Ų5950%0.535%0.349SS..Hα-helixtrans-64.5-22170.9-78-65.8000112.8A101 T109 Y111 L115A101-F105 HydrophobicContact CB-CE2 4.47Å; A101-F105 WeakPolarHBondContact O-CD2 3.29Å; A101-F105 PolarHBondContact O-N 3.05Å; F105-T109 WeakPolarHBondContact O-CG2 3.42Å; F105-Y111 HydrophobicContact CD1-CD1 4.44Å; F105-Y111 AromaticContact CD2-CD1 3.9Å; F105-Y111 HydrophobicContact CD2-CD1 3.9Å; F105-Y111 AromaticContact CD2-CE1 3.96Å; F105-Y111 HydrophobicContact CD2-CE1 3.96Å; F105-Y111 HydrophobicContact CE1-CD1 4.41Å; F105-Y111 HydrophobicContact CE1-CE1 4.48Å; F105-Y111 AromaticContact CE2-CD1 3.9Å; F105-Y111 HydrophobicContact CE2-CD1 3.9Å; F105-Y111 AromaticContact CE2-CE1 3.52Å; F105-Y111 HydrophobicContact CE2-CE1 3.52Å; F105-Y111 HydrophobicContact CG-CD1 4.22Å; F105-Y111 HydrophobicContact CZ-CD1 4.15Å; F105-Y111 AromaticContact CZ-CE1 3.81Å; F105-Y111 HydrophobicContact CZ-CE1 3.81Å; F105-L115 HydrophobicContact CD2-CD1 3.71Å; F105-L115 HydrophobicContact CE2-CD1 3.85Å
106G87.5Confident95Very high17 Ų1760.9 Ų60.918%0.17536%0.358CS..  trans84.7153.2176.100000114.3G102 S103 D104 G108 T109G102-G106 PolarHBondContact O-N 3.36Å; S103-G106 WeakPolarHBondContact O-CA 3.4Å; S103-G106 PolarHBondContact O-N 3.42Å; S103-G106 VanDerWaalsContact O-N 3.09Å; D104-G106 PolarHBondContact O-N 3.2Å; G106-G108 PolarHBondContact O-N 3.45Å; G106-G108 VanDerWaalsContact O-N 3.12Å; G106-T109 PolarHBondContact O-N 2.93Å; G106-T109 PolarHBondContact O-OG1 3.43Å; G106-T109 VanDerWaalsContact O-OG1 3.08Å
107P87.6Confident95Very high109 Ų10959 Ų5971%0.70835%0.348SS*.THydrogen-bonded Turntrans-69-13-172.628.5-36.5000114T109 N113P107-T109 VanDerWaalsContact C-N 3.26Å; P107-T109 PolarHBondContact O-N 2.99Å; P107-N113 PolarHBondContact O-ND2 3.41Å
108G85.4Confident95Very high81 Ų8157.4 Ų57.484%0.83534%0.337SS*.THydrogen-bonded Turntrans-77.8-6.8177.400000114.3G106G106-G108 PolarHBondContact O-N 3.45Å; G106-G108 VanDerWaalsContact O-N 3.12Å
109T91.7Very high95Very high52 Ų5255.5 Ų55.532%0.31933%0.328SS..SBendtrans-104.4136.2-178.369.60000111.1F105 G106 P107 Y111 G112 N113F105-T109 WeakPolarHBondContact O-CG2 3.42Å; G106-T109 PolarHBondContact O-N 2.93Å; G106-T109 PolarHBondContact O-OG1 3.43Å; G106-T109 VanDerWaalsContact O-OG1 3.08Å; P107-T109 VanDerWaalsContact C-N 3.26Å; P107-T109 PolarHBondContact O-N 2.99Å; T109-Y111 PolarHBondContact O-N 3.16Å; T109-G112 PolarHBondContact O-N 2.78Å; T109-G112 WeakPolarHBondContact OG1-CA 3.22Å; T109-G112 PolarHBondContact OG1-N 2.91Å; T109-N113 PolarHBondContact O-N 3.19Å; T109-N113 PolarHBondContact O-ND2 3.45Å
110A90.6Very high95Very high45 Ų4557.3 Ų57.337%0.37234%0.335SS..Hα-helixtrans-60.3-34.7173.200000111.3A114A110-A114 WeakPolarHBondContact O-CB 3.42Å; A110-A114 PolarHBondContact O-N 3.29Å
111Y94.4Very high95Very high136 Ų13652.5 Ų52.553%0.53331%0.313SS..Hα-helixtrans-67.4-46.5178.1-173.6-120.9000112.7F105 T109 N113 A114 L115F105-Y111 HydrophobicContact CD1-CD1 4.44Å; F105-Y111 AromaticContact CD2-CD1 3.9Å; F105-Y111 HydrophobicContact CD2-CD1 3.9Å; F105-Y111 AromaticContact CD2-CE1 3.96Å; F105-Y111 HydrophobicContact CD2-CE1 3.96Å; F105-Y111 HydrophobicContact CE1-CD1 4.41Å; F105-Y111 HydrophobicContact CE1-CE1 4.48Å; F105-Y111 AromaticContact CE2-CD1 3.9Å; F105-Y111 HydrophobicContact CE2-CD1 3.9Å; F105-Y111 AromaticContact CE2-CE1 3.52Å; F105-Y111 HydrophobicContact CE2-CE1 3.52Å; F105-Y111 HydrophobicContact CG-CD1 4.22Å; F105-Y111 HydrophobicContact CZ-CD1 4.15Å; F105-Y111 AromaticContact CZ-CE1 3.81Å; F105-Y111 HydrophobicContact CZ-CE1 3.81Å; T109-Y111 PolarHBondContact O-N 3.16Å; Y111-N113 VanDerWaalsContact C-N 3.34Å; Y111-N113 PolarHBondContact O-N 2.9Å; Y111-A114 PolarHBondContact O-N 3.15Å; Y111-L115 HydrophobicContact CD1-CD1 3.86Å; Y111-L115 HydrophobicContact CD1-CG 4.44Å; Y111-L115 HydrophobicContact CD2-CG 4.4Å; Y111-L115 HydrophobicContact CE1-CD1 3.43Å; Y111-L115 VanDerWaalsContact CE1-CD1 3.43Å; Y111-L115 HydrophobicContact CE1-CG 4.12Å; Y111-L115 HydrophobicContact CE2-CD1 4.27Å; Y111-L115 HydrophobicContact CE2-CD2 4.21Å; Y111-L115 HydrophobicContact CE2-CG 4.04Å; Y111-L115 HydrophobicContact CG-CD1 4.46Å; Y111-L115 WeakPolarHBondContact O-CG 3.48Å; Y111-L115 PolarHBondContact O-N 3.46Å
112G95.4Very high95Very high0 Ų052.7 Ų52.70%031%0.308CS..Hα-helixtrans-59.6-44.8176.900000112T109 A114 L115 I116T109-G112 PolarHBondContact O-N 2.78Å; T109-G112 WeakPolarHBondContact OG1-CA 3.22Å; T109-G112 PolarHBondContact OG1-N 2.91Å; G112-A114 PolarHBondContact O-N 3.03Å; G112-L115 PolarHBondContact O-N 3.48Å; G112-I116 WeakPolarHBondContact O-CG1 3.08Å; G112-I116 PolarHBondContact O-N 3.04Å
113N94.2Very high95Very high53 Ų5357.2 Ų57.228%0.28333%0.328SS..Hα-helixtrans-63.2-40.4176.1-68.1-48.3000112.8P107 T109 Y111 K117 F252P107-N113 PolarHBondContact O-ND2 3.41Å; T109-N113 PolarHBondContact O-N 3.19Å; T109-N113 PolarHBondContact O-ND2 3.45Å; Y111-N113 VanDerWaalsContact C-N 3.34Å; Y111-N113 PolarHBondContact O-N 2.9Å; N113-K117 PolarHBondContact O-N 3.41Å; N113-F252 HydrophobicContact CB-CD1 4.28Å; N113-F252 HydrophobicContact CB-CE1 3.48Å; N113-F252 VanDerWaalsContact CB-CE1 3.48Å; N113-F252 HydrophobicContact CB-CZ 3.75Å
114A95.8Very high95.1Very high24 Ų2458.6 Ų58.620%0.19833%0.326CS..Hα-helixtrans-65.8-42.7176.100000112.3A110 Y111 G112 I116 K117 C118 L249 F252A110-A114 WeakPolarHBondContact O-CB 3.42Å; A110-A114 PolarHBondContact O-N 3.29Å; Y111-A114 PolarHBondContact O-N 3.15Å; G112-A114 PolarHBondContact O-N 3.03Å; A114-I116 PolarHBondContact O-N 3.3Å; A114-K117 PolarHBondContact O-N 2.96Å; A114-C118 PolarHBondContact O-N 3.13Å; A114-C118 PolarHBondContact O-SG 3.47Å; A114-C118 VanDerWaalsContact O-SG 3.36Å; A114-L249 HydrophobicContact CB-CD2 3.99Å; A114-F252 HydrophobicContact CB-CD2 4.24Å; A114-F252 HydrophobicContact CB-CE2 4.03Å
115L97.4Very high95.1Very high19 Ų1952.7 Ų52.710%0.09930%0.295CS..Hα-helixtrans-60.2-44.2176.9-79.1177.6000112.1M98 A101 F105 Y111 G112 K117 C118 G119M98-L115 HydrophobicContact CE-CD2 3.84Å; A101-L115 HydrophobicContact CB-CD1 4.22Å; F105-L115 HydrophobicContact CD2-CD1 3.71Å; F105-L115 HydrophobicContact CE2-CD1 3.85Å; Y111-L115 HydrophobicContact CD1-CD1 3.86Å; Y111-L115 HydrophobicContact CD1-CG 4.44Å; Y111-L115 HydrophobicContact CD2-CG 4.4Å; Y111-L115 HydrophobicContact CE1-CD1 3.43Å; Y111-L115 VanDerWaalsContact CE1-CD1 3.43Å; Y111-L115 HydrophobicContact CE1-CG 4.12Å; Y111-L115 HydrophobicContact CE2-CD1 4.27Å; Y111-L115 HydrophobicContact CE2-CD2 4.21Å; Y111-L115 HydrophobicContact CE2-CG 4.04Å; Y111-L115 HydrophobicContact CG-CD1 4.46Å; Y111-L115 WeakPolarHBondContact O-CG 3.48Å; Y111-L115 PolarHBondContact O-N 3.46Å; G112-L115 PolarHBondContact O-N 3.48Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.08Å; L115-C118 PolarHBondContact O-N 3.4Å; L115-G119 PolarHBondContact O-N 2.92Å
116I97.4Very high95.2Very high39 Ų3947.2 Ų47.220%0.227%0.271CS..Hα-helixtrans-58.5-47.2176.2-68168.9000110.1G112 A114 G119 E120G112-I116 WeakPolarHBondContact O-CG1 3.08Å; G112-I116 PolarHBondContact O-N 3.04Å; A114-I116 PolarHBondContact O-N 3.3Å; I116-G119 PolarHBondContact O-N 3.25Å; I116-E120 HydrophobicContact CG2-CG 4.37Å; I116-E120 WeakPolarHBondContact O-CG 3.45Å; I116-E120 PolarHBondContact O-N 2.92Å
117K97.8Very high95.7Very high66 Ų6647.3 Ų47.329%0.28727%0.272SS..Hα-helixtrans-62.6-46178.5-69.1-47.9-173.3-176.50113.3N113 A114 L115 G119 E120 T121 L245 L249 F252N113-K117 PolarHBondContact O-N 3.41Å; A114-K117 PolarHBondContact O-N 2.96Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.08Å; K117-G119 VanDerWaalsContact C-N 3.3Å; K117-G119 PolarHBondContact O-N 2.98Å; K117-E120 VanDerWaalsContact CD-OE2 3.28Å; K117-E120 WeakPolarHBondContact CD-OE2 3.34Å; K117-E120 IonicContact NZ-OE2 3.36Å; K117-E120 PolarHBondContact NZ-OE2 3.41Å; K117-E120 PolarHBondContact O-N 3.1Å; K117-T121 PolarHBondContact O-N 3.18Å; K117-T121 PolarHBondContact O-OG1 3.29Å; K117-T121 VanDerWaalsContact O-OG1 3.07Å; K117-L245 HydrophobicContact CB-CD1 4.04Å; K117-L249 HydrophobicContact CB-CD2 4.29Å; K117-F252 HydrophobicContact CG-CE2 4.37Å; K117-F252 HydrophobicContact CG-CZ 4.03Å
118C98.2Very high96.2Very high27 Ų2742.3 Ų42.318%0.18224%0.239CC..Hα-helixtrans-59.5-43.4174.8-69.10000111.7M98 A114 L115 T121 Q122M98-C118 HydrophobicContact CE-CB 3.28Å; M98-C118 HydrophobicContact SD-CB 4.1Å; A114-C118 PolarHBondContact O-N 3.13Å; A114-C118 PolarHBondContact O-SG 3.47Å; A114-C118 VanDerWaalsContact O-SG 3.36Å; L115-C118 PolarHBondContact O-N 3.4Å; C118-T121 PolarHBondContact O-N 3.02Å; C118-Q122 WeakPolarHBondContact O-CG 3.48Å; C118-Q122 PolarHBondContact O-N 3.38Å
119G98.4Very high96.7Very high0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-66.4-40.6179.300000113.4G95 L115 I116 K117 T121 Q122 K123G95-G119 WeakPolarHBondContact CA-O 3.37Å; L115-G119 PolarHBondContact O-N 2.92Å; I116-G119 PolarHBondContact O-N 3.25Å; K117-G119 VanDerWaalsContact C-N 3.3Å; K117-G119 PolarHBondContact O-N 2.98Å; G119-T121 VanDerWaalsContact C-N 3.35Å; G119-T121 PolarHBondContact O-N 3.35Å; G119-Q122 PolarHBondContact O-N 2.98Å; G119-K123 WeakPolarHBondContact O-CG 3.33Å; G119-K123 PolarHBondContact O-N 3.26Å
120E98.4Very high96.9Very high79 Ų7943.6 Ų43.637%0.36922%0.215SC..Hα-helixtrans-57.6-46.7172.4-75.7175.3168.900111.2I99 I116 K117 K123 Q124I99-E120 HydrophobicContact CD1-CG 4.36Å; I116-E120 HydrophobicContact CG2-CG 4.37Å; I116-E120 WeakPolarHBondContact O-CG 3.45Å; I116-E120 PolarHBondContact O-N 2.92Å; K117-E120 VanDerWaalsContact CD-OE2 3.28Å; K117-E120 WeakPolarHBondContact CD-OE2 3.34Å; K117-E120 IonicContact NZ-OE2 3.36Å; K117-E120 PolarHBondContact NZ-OE2 3.41Å; K117-E120 PolarHBondContact O-N 3.1Å; E120-K123 PolarHBondContact O-N 3.49Å; E120-Q124 PolarHBondContact O-N 3.38Å; E120-Q124 VanDerWaalsContact O-N 3.12Å
121T98.6Very high97.2Very high3 Ų347.2 Ų47.22%0.01822%0.224CC..Hα-helixtrans-67.9-36.4178.6-50.20000112.5K117 C118 G119 K123 Q124 I125 M242 L245K117-T121 PolarHBondContact O-N 3.18Å; K117-T121 PolarHBondContact O-OG1 3.29Å; K117-T121 VanDerWaalsContact O-OG1 3.07Å; C118-T121 PolarHBondContact O-N 3.02Å; G119-T121 VanDerWaalsContact C-N 3.35Å; G119-T121 PolarHBondContact O-N 3.35Å; T121-K123 VanDerWaalsContact C-N 3.31Å; T121-K123 PolarHBondContact O-N 2.95Å; T121-Q124 WeakPolarHBondContact O-CB 3.4Å; T121-Q124 PolarHBondContact O-N 3.48Å; T121-Q124 VanDerWaalsContact O-N 3.12Å; T121-I125 PolarHBondContact O-N 2.92Å; T121-M242 HydrophobicContact CG2-CE 3.23Å; T121-L245 HydrophobicContact CG2-CB 4.15Å; T121-L245 HydrophobicContact CG2-CD2 4.24Å
122Q98.6Very high97.3Very high38 Ų3841.5 Ų41.518%0.17820%0.202CC..Hα-helixtrans-59.9-42.3172.8-73.2-62.5-16.500111.5H91 L94 M98 C118 G119 Q124 I125 G126H91-Q122 PolarHBondContact ND1-OE1 2.88Å; L94-Q122 HydrophobicContact CD2-CG 4.1Å; L94-Q122 HydrophobicContact CG-CG 4.39Å; M98-Q122 HydrophobicContact SD-CG 4.29Å; C118-Q122 WeakPolarHBondContact O-CG 3.48Å; C118-Q122 PolarHBondContact O-N 3.38Å; G119-Q122 PolarHBondContact O-N 2.98Å; Q122-Q124 VanDerWaalsContact C-N 3.29Å; Q122-Q124 PolarHBondContact O-N 3.43Å; Q122-I125 PolarHBondContact O-N 2.96Å; Q122-G126 PolarHBondContact O-N 3.23Å
123K98.3Very high97.3Very high96 Ų9644.1 Ų44.142%0.41722%0.215SC..Hα-helixtrans-64.5-31.6174.8-65.6-175.975.41740112.9I99 G119 E120 T121 G126 G127I99-K123 HydrophobicContact CD1-CD 3.66Å; G119-K123 WeakPolarHBondContact O-CG 3.33Å; G119-K123 PolarHBondContact O-N 3.26Å; E120-K123 PolarHBondContact O-N 3.49Å; T121-K123 VanDerWaalsContact C-N 3.31Å; T121-K123 PolarHBondContact O-N 2.95Å; K123-G126 PolarHBondContact O-N 3Å; K123-G127 PolarHBondContact O-N 3.45Å
124Q98.4Very high97.3Very high97 Ų9747.5 Ų47.545%0.45323%0.23SC..Hα-helixtrans-66.4-44.2173-69.4175.8-26.500111.8E120 T121 Q122 G126 G127 A128 Y241E120-Q124 PolarHBondContact O-N 3.38Å; E120-Q124 VanDerWaalsContact O-N 3.12Å; T121-Q124 WeakPolarHBondContact O-CB 3.4Å; T121-Q124 PolarHBondContact O-N 3.48Å; T121-Q124 VanDerWaalsContact O-N 3.12Å; Q122-Q124 VanDerWaalsContact C-N 3.29Å; Q122-Q124 PolarHBondContact O-N 3.43Å; Q124-G126 VanDerWaalsContact C-N 3.32Å; Q124-G126 PolarHBondContact O-N 3.44Å; Q124-G127 WeakPolarHBondContact O-CA 3.35Å; Q124-G127 PolarHBondContact O-N 3.15Å; Q124-G127 VanDerWaalsContact O-N 3.13Å; Q124-A128 PolarHBondContact O-N 3.49Å; Q124-Y241 HydrophobicContact CB-CD2 3.92Å; Q124-Y241 HydrophobicContact CB-CE2 3.96Å; Q124-Y241 HydrophobicContact CB-CG 4.33Å
125I98.5Very high97.3Very high11 Ų1148 Ų486%0.05623%0.232CC..Hα-helixtrans-60.4-44.7173.2-66.3166.7000110.5T121 Q122 G127 A128 E129 Y241 M242T121-I125 PolarHBondContact O-N 2.92Å; Q122-I125 PolarHBondContact O-N 2.96Å; I125-G127 PolarHBondContact O-N 3.04Å; I125-A128 PolarHBondContact O-N 3.21Å; I125-A128 VanDerWaalsContact O-N 3.15Å; I125-E129 PolarHBondContact O-N 3.49Å; I125-Y241 HydrophobicContact CG1-CD2 4.21Å; I125-M242 HydrophobicContact CD1-CE 3.34Å; I125-M242 HydrophobicContact CD1-CG 4.46Å; I125-M242 HydrophobicContact CD1-SD 3.95Å; I125-M242 HydrophobicContact CG1-CE 4.35Å
126G97.6Very high97.3Very high0 Ų047.2 Ų47.20%023%0.228CC..Hα-helixtrans-57.9-37175.100000112.4N89 Q122 K123 Q124 R130N89-G126 VanDerWaalsContact ND2-CA 3.33Å; N89-G126 WeakPolarHBondContact ND2-CA 3.47Å; N89-G126 PolarHBondContact ND2-O 3.12Å; Q122-G126 PolarHBondContact O-N 3.23Å; K123-G126 PolarHBondContact O-N 3Å; Q124-G126 VanDerWaalsContact C-N 3.32Å; Q124-G126 PolarHBondContact O-N 3.44Å; G126-R130 WeakPolarHBondContact O-CG 3.46Å; G126-R130 PolarHBondContact O-N 3.45Å; G126-R130 VanDerWaalsContact O-N 3.16Å
127G97.1Very high97.2Very high19 Ų1947 Ų4720%0.19623%0.232CC..Hα-helixtrans-61.3-50.8171.500000113.9K123 Q124 I125 E129 R130 E131K123-G127 PolarHBondContact O-N 3.45Å; Q124-G127 WeakPolarHBondContact O-CA 3.35Å; Q124-G127 PolarHBondContact O-N 3.15Å; Q124-G127 VanDerWaalsContact O-N 3.13Å; I125-G127 PolarHBondContact O-N 3.04Å; G127-E129 VanDerWaalsContact C-N 3.3Å; G127-E129 PolarHBondContact O-N 3.2Å; G127-R130 PolarHBondContact O-N 2.96Å; G127-E131 PolarHBondContact O-N 2.93Å
128A98Very high97Very high3 Ų348.1 Ų48.13%0.02524%0.24CC..Hα-helixtrans-61.5-38178.300000112Q124 I125 E131 F132 Y234 Q237 Y241Q124-A128 PolarHBondContact O-N 3.49Å; I125-A128 PolarHBondContact O-N 3.21Å; I125-A128 VanDerWaalsContact O-N 3.15Å; A128-E131 PolarHBondContact O-N 2.96Å; A128-F132 WeakPolarHBondContact O-CB 3.41Å; A128-F132 PolarHBondContact O-N 2.98Å; A128-Y234 HydrophobicContact CB-CD2 3.88Å; A128-Y234 HydrophobicContact CB-CE2 4.13Å; A128-Q237 HydrophobicContact CB-CB 4.49Å; A128-Y241 HydrophobicContact CB-CE2 4.22Å
129E96.8Very high96.9Very high45 Ų4550 Ų5021%0.2125%0.248CC..Hα-helixtrans-63.8-44.2177.4-175.8-173-127.900111.6N89 H91 I125 G127 E131 F132 I133 Y234N89-E129 WeakPolarHBondContact CB-OE2 3.27Å; N89-E129 VanDerWaalsContact CG-OE2 3.23Å; N89-E129 PolarHBondContact ND2-OE2 3.43Å; H91-E129 IonicContact CD2-OE2 3.7Å; I125-E129 PolarHBondContact O-N 3.49Å; G127-E129 VanDerWaalsContact C-N 3.3Å; G127-E129 PolarHBondContact O-N 3.2Å; E129-E131 VanDerWaalsContact C-N 3.31Å; E129-E131 PolarHBondContact O-N 3.32Å; E129-F132 WeakPolarHBondContact O-CB 3.49Å; E129-F132 PolarHBondContact O-N 2.87Å; E129-I133 HydrophobicContact CG-CD1 3.91Å; E129-I133 HydrophobicContact CG-CG1 4.49Å; E129-I133 WeakPolarHBondContact O-CG1 3.26Å; E129-I133 PolarHBondContact O-N 2.72Å; E129-Y234 VanDerWaalsContact CA-CE2 3.42Å; E129-Y234 HydrophobicContact CB-CE2 3.74Å; E129-Y234 HydrophobicContact CG-CE2 4.45Å
130R94.9Very high96.9Very high115 Ų11550 Ų5043%0.43425%0.248SC..Hα-helixtrans-60.9-41.6176.7-70.2-174.7-47.9-100.4-2.5111.8D92 G126 G127 I133 Q134D92-R130 IonicContact OD1-NH1 3.47Å; D92-R130 PolarHBondContact OD1-NH1 3.07Å; D92-R130 IonicContact OD2-CZ 3.75Å; D92-R130 IonicContact OD2-NH1 3.54Å; D92-R130 PolarHBondContact OD2-NH1 3.06Å; G126-R130 WeakPolarHBondContact O-CG 3.46Å; G126-R130 PolarHBondContact O-N 3.45Å; G126-R130 VanDerWaalsContact O-N 3.16Å; G127-R130 PolarHBondContact O-N 2.96Å; R130-I133 PolarHBondContact O-N 2.79Å; R130-Q134 VanDerWaalsContact O-CB 3.3Å; R130-Q134 WeakPolarHBondContact O-CB 3.41Å; R130-Q134 PolarHBondContact O-N 3.39Å
131E96.2Very high96.8Very high122 Ų12246.9 Ų46.957%0.5723%0.234SC*.Hα-helixtrans-65.2-41.8177.3-173.8170.9-172.100111.5G127 A128 E129 Q134 S135G127-E131 PolarHBondContact O-N 2.93Å; A128-E131 PolarHBondContact O-N 2.96Å; E129-E131 VanDerWaalsContact C-N 3.31Å; E129-E131 PolarHBondContact O-N 3.32Å; E131-Q134 PolarHBondContact O-N 2.94Å; E131-S135 VanDerWaalsContact O-CB 3.28Å; E131-S135 WeakPolarHBondContact O-CB 3.36Å; E131-S135 PolarHBondContact O-N 2.91Å
132F97.8Very high96.6Very high16 Ų1649.6 Ų49.67%0.0725%0.251CS..Hα-helixtrans-59.5-48.6174.1169.3-121.7000112.7L63 L64 A128 E129 S135 S136 F227 A230 Q231 Y234L63-F132 HydrophobicContact CD2-CE1 4.18Å; L63-F132 HydrophobicContact CD2-CZ 4.08Å; L64-F132 HydrophobicContact CD2-CD1 4.17Å; L64-F132 HydrophobicContact CD2-CE1 3.49Å; L64-F132 VanDerWaalsContact CD2-CE1 3.49Å; L64-F132 HydrophobicContact CD2-CE2 4.4Å; L64-F132 HydrophobicContact CD2-CZ 3.62Å; A128-F132 WeakPolarHBondContact O-CB 3.41Å; A128-F132 PolarHBondContact O-N 2.98Å; E129-F132 WeakPolarHBondContact O-CB 3.49Å; E129-F132 PolarHBondContact O-N 2.87Å; F132-S135 PolarHBondContact O-N 3.47Å; F132-S136 WeakPolarHBondContact CE2-OG 3.41Å; F132-S136 VanDerWaalsContact O-CB 3.31Å; F132-S136 WeakPolarHBondContact O-CB 3.15Å; F132-S136 PolarHBondContact O-N 3.19Å; F132-S136 PolarHBondContact O-OG 3.34Å; F132-F227 HydrophobicContact CE2-CE2 4.25Å; F132-F227 HydrophobicContact CZ-CE2 4.21Å; F132-A230 HydrophobicContact CD2-CB 4.07Å; F132-A230 HydrophobicContact CE2-CB 4.33Å; F132-Q231 HydrophobicContact CD2-CG 4.39Å; F132-Q231 HydrophobicContact CE2-CB 4.19Å; F132-Q231 HydrophobicContact CE2-CG 3.34Å; F132-Q231 HydrophobicContact CZ-CG 3.52Å; F132-Y234 HydrophobicContact CB-CD2 4.03Å; F132-Y234 HydrophobicContact CB-CG 3.97Å; F132-Y234 HydrophobicContact CD1-CD1 4.31Å; F132-Y234 HydrophobicContact CD1-CG 4.35Å; F132-Y234 HydrophobicContact CG-CD1 4.46Å; F132-Y234 HydrophobicContact CG-CG 4.11Å
133I95.3Very high96.5Very high54 Ų5448.7 Ų48.728%0.27725%0.248SC..Hα-helixtrans-60.9-46.8178-68.5168.3000110.2L64 E129 R130 S136 A137L64-I133 HydrophobicContact CB-CG1 4.42Å; L64-I133 HydrophobicContact CB-CG2 4.48Å; L64-I133 HydrophobicContact CD2-CG1 4.23Å; E129-I133 HydrophobicContact CG-CD1 3.91Å; E129-I133 HydrophobicContact CG-CG1 4.49Å; E129-I133 WeakPolarHBondContact O-CG1 3.26Å; E129-I133 PolarHBondContact O-N 2.72Å; R130-I133 PolarHBondContact O-N 2.79Å; I133-S136 PolarHBondContact O-N 2.91Å; I133-A137 WeakPolarHBondContact O-CB 3.28Å; I133-A137 PolarHBondContact O-N 3.45Å
134Q93.9Very high96.4Very high125 Ų12544.4 Ų44.458%0.58423%0.229SC*.Hα-helixtrans-63.9-47.2-180-176176.611.600112.2R130 E131 S136 A137 I138R130-Q134 VanDerWaalsContact O-CB 3.3Å; R130-Q134 WeakPolarHBondContact O-CB 3.41Å; R130-Q134 PolarHBondContact O-N 3.39Å; E131-Q134 PolarHBondContact O-N 2.94Å; Q134-S136 VanDerWaalsContact C-N 3.34Å; Q134-S136 PolarHBondContact O-N 2.9Å; Q134-A137 PolarHBondContact O-N 3.25Å; Q134-I138 HydrophobicContact CG-CD1 3.8Å; Q134-I138 WeakPolarHBondContact O-CG1 3.44Å; Q134-I138 PolarHBondContact O-N 2.95Å
135S96.6Very high96.2Very high35 Ų3542 Ų4225%0.24522%0.216CC..Hα-helixtrans-61.3-43.6178.7-176.20000111.2E131 F132 A137 I138 N139E131-S135 VanDerWaalsContact O-CB 3.28Å; E131-S135 WeakPolarHBondContact O-CB 3.36Å; E131-S135 PolarHBondContact O-N 2.91Å; F132-S135 PolarHBondContact O-N 3.47Å; S135-A137 PolarHBondContact O-N 2.97Å; S135-I138 PolarHBondContact O-N 3.25Å; S135-N139 WeakPolarHBondContact O-CB 3.5Å; S135-N139 PolarHBondContact O-N 2.95Å; S135-N139 PolarHBondContact O-ND2 3.41Å; S135-N139 PolarHBondContact OG-ND2 3.36Å
136S97.7Very high96Very high1 Ų146.5 Ų46.51%0.00724%0.24CC..Hα-helixtrans-65.2-38.9176.6-58.60000112.1F132 I133 Q134 F140 L141F132-S136 WeakPolarHBondContact CE2-OG 3.41Å; F132-S136 VanDerWaalsContact O-CB 3.31Å; F132-S136 WeakPolarHBondContact O-CB 3.15Å; F132-S136 PolarHBondContact O-N 3.19Å; F132-S136 PolarHBondContact O-OG 3.34Å; I133-S136 PolarHBondContact O-N 2.91Å; Q134-S136 VanDerWaalsContact C-N 3.34Å; Q134-S136 PolarHBondContact O-N 2.9Å; S136-F140 WeakPolarHBondContact O-CA 3.38Å; S136-F140 VanDerWaalsContact O-CB 3.24Å; S136-F140 WeakPolarHBondContact O-CB 3.31Å; S136-F140 PolarHBondContact O-N 3.28Å; S136-F140 VanDerWaalsContact O-N 3.09Å; S136-L141 PolarHBondContact O-N 3.16Å
137A94.2Very high96Very high35 Ų3546.8 Ų46.829%0.28924%0.242SC..Iπ-helixtrans-62.9-44.7176.100000112.2I133 Q134 S135 T142I133-A137 WeakPolarHBondContact O-CB 3.28Å; I133-A137 PolarHBondContact O-N 3.45Å; Q134-A137 PolarHBondContact O-N 3.25Å; S135-A137 PolarHBondContact O-N 2.97Å; A137-T142 PolarHBondContact O-N 3.09Å; A137-T142 PolarHBondContact O-OG1 3.46Å
138I93.9Very high95.9Very high90 Ų9046.8 Ų46.846%0.46224%0.237SC..Iπ-helixtrans-76.7-48.3-175.8-64.7170.5000111.6Q134 S135 T142 P143Q134-I138 HydrophobicContact CG-CD1 3.8Å; Q134-I138 WeakPolarHBondContact O-CG1 3.44Å; Q134-I138 PolarHBondContact O-N 2.95Å; S135-I138 PolarHBondContact O-N 3.25Å; I138-T142 WeakPolarHBondContact O-CB 3.32Å; I138-P143 WeakPolarHBondContact O-CD 3.48Å
139N96.1Very high95.7Very high65 Ų6550.6 Ų50.635%0.34826%0.255SS..Iπ-helixtrans-91.9-17.8-168.5-59.4-42.7000113.4S135 C223 D226S135-N139 WeakPolarHBondContact O-CB 3.5Å; S135-N139 PolarHBondContact O-N 2.95Å; S135-N139 PolarHBondContact O-ND2 3.41Å; S135-N139 PolarHBondContact OG-ND2 3.36Å; N139-C223 WeakPolarHBondContact O-CB 3.48Å; N139-C223 PolarHBondContact O-SG 3.15Å; N139-D226 HydrophobicContact CB-CB 4.2Å
140F97.5Very high95.6Very high1 Ų150.1 Ų50.10%0.00426%0.261CS..Iπ-helixtrans-117.6-56.7-178.4-173.4-100.5000113.2I56 T60 S136 F144 C223 L224 F227I56-F140 HydrophobicContact CG2-CE1 4.05Å; I56-F140 HydrophobicContact CG2-CZ 3.66Å; T60-F140 HydrophobicContact CG2-CD1 3.82Å; T60-F140 HydrophobicContact CG2-CE1 3.91Å; T60-F140 WeakPolarHBondContact OG1-CE1 3.44Å; S136-F140 WeakPolarHBondContact O-CA 3.38Å; S136-F140 VanDerWaalsContact O-CB 3.24Å; S136-F140 WeakPolarHBondContact O-CB 3.31Å; S136-F140 PolarHBondContact O-N 3.28Å; S136-F140 VanDerWaalsContact O-N 3.09Å; F140-F144 HydrophobicContact CD2-CE1 4.48Å; F140-F144 HydrophobicContact CD2-CZ 4.34Å; F140-F144 HydrophobicContact CE1-CE2 4.22Å; F140-F144 HydrophobicContact CE2-CE1 4.21Å; F140-F144 HydrophobicContact CE2-CE2 4.05Å; F140-F144 AromaticContact CE2-CZ 3.64Å; F140-F144 HydrophobicContact CE2-CZ 3.64Å; F140-F144 HydrophobicContact CZ-CD2 4.45Å; F140-F144 AromaticContact CZ-CE2 3.7Å; F140-F144 HydrophobicContact CZ-CE2 3.7Å; F140-F144 AromaticContact CZ-CZ 3.81Å; F140-F144 HydrophobicContact CZ-CZ 3.81Å; F140-F144 WeakPolarHBondContact O-CD1 3.37Å; F140-C223 HydrophobicContact CD2-CB 4.03Å; F140-C223 WeakPolarHBondContact CD2-O 3.39Å; F140-L224 HydrophobicContact CE2-CD2 3.63Å; F140-L224 HydrophobicContact CE2-CG 4.07Å; F140-L224 HydrophobicContact CZ-CD2 4.09Å; F140-F227 HydrophobicContact CB-CB 4.11Å; F140-F227 HydrophobicContact CB-CD2 4.39Å; F140-F227 HydrophobicContact CB-CG 4.48Å; F140-F227 HydrophobicContact CD1-CD2 4.44Å; F140-F227 HydrophobicContact CD1-CG 4.43Å; F140-F227 HydrophobicContact CD2-CB 3.64Å; F140-F227 HydrophobicContact CD2-CG 4.13Å; F140-F227 HydrophobicContact CE2-CB 4.21Å; F140-F227 HydrophobicContact CE2-CG 4.47Å; F140-F227 HydrophobicContact CG-CB 3.91Å; F140-F227 HydrophobicContact CG-CD2 4.28Å; F140-F227 HydrophobicContact CG-CG 4.09Å
141L96.3Very high95.5Very high13 Ų1349 Ų497%0.06826%0.264CS..Iπ-helixtrans-71.1-42.2-175.6-63.5-179.6000113M57 T60 E61 L64 S136 F144 R145M57-L141 HydrophobicContact CG-CD2 3.73Å; T60-L141 HydrophobicContact CG2-CD2 3.9Å; T60-L141 HydrophobicContact CG2-CG 4.44Å; E61-L141 HydrophobicContact CG-CD1 3.78Å; E61-L141 HydrophobicContact CG-CD2 4.13Å; L64-L141 HydrophobicContact CD1-CD1 3.87Å; S136-L141 PolarHBondContact O-N 3.16Å; L141-F144 PolarHBondContact O-N 2.81Å; L141-R145 PolarHBondContact O-N 3.34Å
142T95Very high95.5Very high60 Ų6043.4 Ų43.437%0.36824%0.238SC..Hα-helixtrans-62.2-47.7-176.7-590000112.6A137 I138 F144 R145 N146A137-T142 PolarHBondContact O-N 3.09Å; A137-T142 PolarHBondContact O-OG1 3.46Å; I138-T142 WeakPolarHBondContact O-CB 3.32Å; T142-F144 VanDerWaalsContact C-N 3.29Å; T142-F144 PolarHBondContact O-N 3.26Å; T142-R145 WeakPolarHBondContact O-CB 3.33Å; T142-R145 PolarHBondContact O-N 2.9Å; T142-N146 VanDerWaalsContact O-CG 3.27Å; T142-N146 PolarHBondContact O-N 3.36Å
143P95.8Very high95.5Very high20 Ų2048.1 Ų48.113%0.1326%0.258CS..Hα-helixtrans-56.6-40.5174.3-29.337.4000113.7I138 N146 F147I138-P143 WeakPolarHBondContact O-CD 3.48Å; P143-N146 PolarHBondContact O-N 2.75Å; P143-F147 PolarHBondContact O-N 3.48Å
144F96.5Very high95.5Very high5 Ų548.6 Ų48.62%0.02226%0.264CS..Hα-helixtrans-68.1-41.9179.9-77.429.7000110.7T53 I56 M57 F140 L141 T142 F147 L148 H220 C223T53-F144 HydrophobicContact CG2-CB 3.88Å; T53-F144 HydrophobicContact CG2-CD2 3.61Å; T53-F144 HydrophobicContact CG2-CE2 4.29Å; T53-F144 HydrophobicContact CG2-CG 3.8Å; I56-F144 HydrophobicContact CB-CE2 4.45Å; I56-F144 HydrophobicContact CG2-CE2 4.02Å; M57-F144 HydrophobicContact CB-CB 4.46Å; M57-F144 HydrophobicContact CB-CD2 4.28Å; M57-F144 HydrophobicContact CG-CB 4.32Å; M57-F144 HydrophobicContact SD-CB 3.98Å; F140-F144 HydrophobicContact CD2-CE1 4.48Å; F140-F144 HydrophobicContact CD2-CZ 4.34Å; F140-F144 HydrophobicContact CE1-CE2 4.22Å; F140-F144 HydrophobicContact CE2-CE1 4.21Å; F140-F144 HydrophobicContact CE2-CE2 4.05Å; F140-F144 AromaticContact CE2-CZ 3.64Å; F140-F144 HydrophobicContact CE2-CZ 3.64Å; F140-F144 HydrophobicContact CZ-CD2 4.45Å; F140-F144 AromaticContact CZ-CE2 3.7Å; F140-F144 HydrophobicContact CZ-CE2 3.7Å; F140-F144 AromaticContact CZ-CZ 3.81Å; F140-F144 HydrophobicContact CZ-CZ 3.81Å; F140-F144 WeakPolarHBondContact O-CD1 3.37Å; L141-F144 PolarHBondContact O-N 2.81Å; T142-F144 VanDerWaalsContact C-N 3.29Å; T142-F144 PolarHBondContact O-N 3.26Å; F144-F147 PolarHBondContact O-N 3.05Å; F144-L148 VanDerWaalsContact O-CG 3.28Å; F144-L148 WeakPolarHBondContact O-CG 3.47Å; F144-L148 PolarHBondContact O-N 3.49Å; F144-H220 AromaticContact CD1-CD2 3.69Å; F144-H220 AromaticContact CD1-NE2 3.84Å; F144-H220 HydrophobicContact CE1-CB 3.91Å; F144-H220 AromaticContact CE1-CD2 3.55Å; F144-H220 AromaticContact CE1-CG 3.66Å; F144-H220 HydrophobicContact CZ-CB 4.25Å; F144-C223 HydrophobicContact CE1-CB 4.06Å
145R95.4Very high95.6Very high47 Ų4743 Ų4318%0.17724%0.238CC..Hα-helixtrans-57.2-48.6171.3-108.3-177.8-168.368.23.5111.5M57 E61 E78 L141 T142 F147 L148 E149M57-R145 HydrophobicContact CE-CG 4.43Å; M57-R145 HydrophobicContact SD-CB 4.39Å; M57-R145 HydrophobicContact SD-CG 3.92Å; E61-R145 IonicContact OE1-CZ 2.71Å; E61-R145 IonicContact OE1-NH1 3.53Å; E61-R145 PolarHBondContact OE1-NH1 2.95Å; E61-R145 IonicContact OE1-NH2 3.62Å; E61-R145 PolarHBondContact OE1-NH2 3.19Å; E78-R145 IonicContact OE2-NE 2.77Å; L141-R145 PolarHBondContact O-N 3.34Å; T142-R145 WeakPolarHBondContact O-CB 3.33Å; T142-R145 PolarHBondContact O-N 2.9Å; R145-F147 VanDerWaalsContact C-N 3.33Å; R145-F147 PolarHBondContact O-N 3.49Å; R145-L148 PolarHBondContact O-N 3.33Å; R145-E149 VanDerWaalsContact O-CB 3.32Å; R145-E149 WeakPolarHBondContact O-CB 3.46Å; R145-E149 PolarHBondContact O-N 2.89Å
146N94.4Very high95.6Very high105 Ų10544.8 Ų44.856%0.56124%0.244SC*.Hα-helixtrans-60.9-42.4-178.3-71.1-16.1000111.9T142 P143 G150T142-N146 VanDerWaalsContact O-CG 3.27Å; T142-N146 PolarHBondContact O-N 3.36Å; P143-N146 PolarHBondContact O-N 2.75Å; N146-G150 WeakPolarHBondContact O-CA 3.4Å; N146-G150 PolarHBondContact O-N 3.28Å
147F95.8Very high95.6Very high6 Ų651.5 Ų51.53%0.02627%0.273CS..Iπ-helixtrans-61.7-49.3173.9169.7-108.4000112T49 T53 P143 F144 R145 D151 F152 T216 H220T49-F147 HydrophobicContact CG2-CE1 3.97Å; T49-F147 HydrophobicContact CG2-CZ 3.93Å; T53-F147 HydrophobicContact CG2-CD1 4.11Å; P143-F147 PolarHBondContact O-N 3.48Å; F144-F147 PolarHBondContact O-N 3.05Å; R145-F147 VanDerWaalsContact C-N 3.33Å; R145-F147 PolarHBondContact O-N 3.49Å; F147-D151 HydrophobicContact CD2-CB 3.8Å; F147-D151 HydrophobicContact CE2-CB 4.18Å; F147-D151 PolarHBondContact O-N 3.06Å; F147-F152 HydrophobicContact CE1-CB 4.38Å; F147-F152 HydrophobicContact CE1-CD2 4.2Å; F147-F152 HydrophobicContact CE2-CD2 4.48Å; F147-F152 HydrophobicContact CZ-CB 4.29Å; F147-F152 AromaticContact CZ-CD2 3.76Å; F147-F152 HydrophobicContact CZ-CD2 3.76Å; F147-F152 HydrophobicContact CZ-CG 4.44Å; F147-F152 WeakPolarHBondContact O-CB 3.46Å; F147-F152 PolarHBondContact O-N 3Å; F147-T216 HydrophobicContact CB-CG2 4.25Å; F147-T216 HydrophobicContact CD1-CG2 4.46Å; F147-T216 HydrophobicContact CD2-CG2 3.33Å; F147-T216 HydrophobicContact CE2-CG2 3.68Å; F147-T216 HydrophobicContact CG-CG2 3.76Å; F147-T216 HydrophobicContact CZ-CG2 4.36Å; F147-H220 AromaticContact CD1-CE1 3.83Å
148L96Very high95.7Very high19 Ų1951.1 Ų51.110%0.09927%0.266CS..Iπ-helixtrans-66.8-42.7-177.4-69.5172.8000112.4K50 T53 E54 M57 F144 R145K50-L148 HydrophobicContact CB-CD2 4.42Å; K50-L148 HydrophobicContact CG-CD2 3.91Å; T53-L148 HydrophobicContact CG2-CD1 4.09Å; T53-L148 HydrophobicContact CG2-CD2 4.18Å; T53-L148 HydrophobicContact CG2-CG 4.02Å; E54-L148 HydrophobicContact CB-CD1 4.45Å; E54-L148 HydrophobicContact CG-CD1 3.64Å; E54-L148 HydrophobicContact CG-CD2 3.65Å; E54-L148 HydrophobicContact CG-CG 4.28Å; M57-L148 HydrophobicContact CE-CD1 3.71Å; M57-L148 HydrophobicContact SD-CD1 4.04Å; F144-L148 VanDerWaalsContact O-CG 3.28Å; F144-L148 WeakPolarHBondContact O-CG 3.47Å; F144-L148 PolarHBondContact O-N 3.49Å; R145-L148 PolarHBondContact O-N 3.33Å
149E94.4Very high95.8Very high84 Ų8451.3 Ų51.339%0.39326%0.26SS..Iπ-helixtrans-85.4-19.6-175.4-67.8-159.2-174.700114.2K79 R145 K153K79-E149 IonicContact NZ-OE1 2.83Å; K79-E149 IonicContact NZ-OE2 3.67Å; R145-E149 VanDerWaalsContact O-CB 3.32Å; R145-E149 WeakPolarHBondContact O-CB 3.46Å; R145-E149 PolarHBondContact O-N 2.89Å; E149-K153 WeakPolarHBondContact O-CD 3.36Å; E149-K153 WeakPolarHBondContact O-CE 3.37Å; E149-K153 WeakPolarHBondContact O-CG 3.24Å; E149-K153 PolarHBondContact O-NZ 2.83Å; E149-K153 IonicContact OE2-NZ 3.57Å
150G93.9Very high95.8Very high34 Ų3455.4 Ų55.435%0.35128%0.275SS..Iπ-helixtrans-108.5-81.9179.600000112.4N146 F152 K153 T154N146-G150 WeakPolarHBondContact O-CA 3.4Å; N146-G150 PolarHBondContact O-N 3.28Å; G150-F152 PolarHBondContact O-N 2.85Å; G150-K153 PolarHBondContact O-N 3.42Å; G150-T154 PolarHBondContact O-N 3.5Å; G150-T154 PolarHBondContact O-OG1 3.43Å
151D93.6Very high95.7Very high92 Ų9258.2 Ų58.249%0.49229%0.29SS..Iπ-helixtrans-59.2-48.4-171.9-62.9-24.2000111.8F147 K153 T154 I155F147-D151 HydrophobicContact CD2-CB 3.8Å; F147-D151 HydrophobicContact CE2-CB 4.18Å; F147-D151 PolarHBondContact O-N 3.06Å; D151-K153 PolarHBondContact O-N 3.08Å; D151-T154 WeakPolarHBondContact O-CA 3.34Å; D151-T154 VanDerWaalsContact O-CB 3.32Å; D151-T154 WeakPolarHBondContact O-CB 3.3Å; D151-T154 PolarHBondContact O-N 2.91Å; D151-T154 VanDerWaalsContact O-N 3.1Å; D151-I155 PolarHBondContact O-N 3.02Å
152F96.3Very high95.6Very high4 Ų457.8 Ų57.82%0.01829%0.288CS..Hα-helixtrans-71.1-32.4-175.4-156.6-93.4000112.9A46 K50 F147 G150 T154 I155 L156A46-F152 HydrophobicContact CB-CE2 4.22Å; A46-F152 VanDerWaalsContact O-CE2 3.25Å; A46-F152 WeakPolarHBondContact O-CE2 3.44Å; K50-F152 HydrophobicContact CB-CD1 3.84Å; K50-F152 HydrophobicContact CB-CD2 3.78Å; K50-F152 HydrophobicContact CB-CE1 3.47Å; K50-F152 VanDerWaalsContact CB-CE1 3.47Å; K50-F152 HydrophobicContact CB-CE2 3.41Å; K50-F152 VanDerWaalsContact CB-CE2 3.41Å; K50-F152 HydrophobicContact CB-CG 3.97Å; K50-F152 HydrophobicContact CB-CZ 3.24Å; K50-F152 HydrophobicContact CD-CD1 4.08Å; K50-F152 HydrophobicContact CD-CE1 3.42Å; K50-F152 VanDerWaalsContact CD-CE1 3.42Å; K50-F152 HydrophobicContact CD-CZ 3.84Å; K50-F152 HydrophobicContact CG-CD1 3.51Å; K50-F152 HydrophobicContact CG-CD2 4.36Å; K50-F152 HydrophobicContact CG-CE1 3.3Å; K50-F152 HydrophobicContact CG-CE2 4.2Å; K50-F152 HydrophobicContact CG-CG 4.04Å; K50-F152 HydrophobicContact CG-CZ 3.67Å; F147-F152 HydrophobicContact CE1-CB 4.38Å; F147-F152 HydrophobicContact CE1-CD2 4.2Å; F147-F152 HydrophobicContact CE2-CD2 4.48Å; F147-F152 HydrophobicContact CZ-CB 4.29Å; F147-F152 AromaticContact CZ-CD2 3.76Å; F147-F152 HydrophobicContact CZ-CD2 3.76Å; F147-F152 HydrophobicContact CZ-CG 4.44Å; F147-F152 WeakPolarHBondContact O-CB 3.46Å; F147-F152 PolarHBondContact O-N 3Å; G150-F152 PolarHBondContact O-N 2.85Å; F152-T154 VanDerWaalsContact C-N 3.25Å; F152-T154 PolarHBondContact O-N 3.03Å; F152-I155 HydrophobicContact CD2-CD1 4.03Å; F152-I155 HydrophobicContact CE2-CG2 4.42Å; F152-I155 PolarHBondContact O-N 3.03Å; F152-L156 HydrophobicContact CD1-CD1 3.9Å; F152-L156 HydrophobicContact CD1-CD2 4.47Å; F152-L156 HydrophobicContact CD1-CG 3.85Å; F152-L156 HydrophobicContact CE1-CD1 3.95Å; F152-L156 HydrophobicContact CE1-CD2 3.8Å; F152-L156 HydrophobicContact CE1-CG 3.69Å; F152-L156 WeakPolarHBondContact O-CG 3.27Å; F152-L156 PolarHBondContact O-N 2.95Å
153K96.6Very high95.5Very high115 Ų11558.9 Ų58.950%0.529%0.289SS..Hα-helixtrans-61.1-37.6170.3-70.6-164-167.4131.70111.6E149 G150 D151 L156 K157E149-K153 WeakPolarHBondContact O-CD 3.36Å; E149-K153 WeakPolarHBondContact O-CE 3.37Å; E149-K153 WeakPolarHBondContact O-CG 3.24Å; E149-K153 PolarHBondContact O-NZ 2.83Å; E149-K153 IonicContact OE2-NZ 3.57Å; G150-K153 PolarHBondContact O-N 3.42Å; D151-K153 PolarHBondContact O-N 3.08Å; K153-L156 PolarHBondContact O-N 2.78Å; K153-K157 PolarHBondContact O-N 3.26Å
154T96.8Very high95.4Very high65 Ų6559.7 Ų59.740%0.39929%0.293SS..Hα-helixtrans-65.9-46175.3-54.40000110.7G150 D151 F152 L156 K157 E158 L209G150-T154 PolarHBondContact O-N 3.5Å; G150-T154 PolarHBondContact O-OG1 3.43Å; D151-T154 WeakPolarHBondContact O-CA 3.34Å; D151-T154 VanDerWaalsContact O-CB 3.32Å; D151-T154 WeakPolarHBondContact O-CB 3.3Å; D151-T154 PolarHBondContact O-N 2.91Å; D151-T154 VanDerWaalsContact O-N 3.1Å; F152-T154 VanDerWaalsContact C-N 3.25Å; F152-T154 PolarHBondContact O-N 3.03Å; T154-L156 VanDerWaalsContact C-N 3.32Å; T154-L156 PolarHBondContact O-N 3.49Å; T154-K157 WeakPolarHBondContact O-CB 3.36Å; T154-K157 PolarHBondContact O-N 3.09Å; T154-K157 VanDerWaalsContact O-N 3.14Å; T154-E158 HydrophobicContact CG2-CG 4.49Å; T154-E158 PolarHBondContact O-N 2.96Å; T154-L209 HydrophobicContact CG2-CD1 4.15Å
155I95.9Very high95.3Very high8 Ų861 Ų614%0.04130%0.299CS..Hα-helixtrans-55.5-46.4174.3-68.1167.3000111.1D151 F152 K157 E158 R159 L209 L210 V213D151-I155 PolarHBondContact O-N 3.02Å; F152-I155 HydrophobicContact CD2-CD1 4.03Å; F152-I155 HydrophobicContact CE2-CG2 4.42Å; F152-I155 PolarHBondContact O-N 3.03Å; I155-K157 VanDerWaalsContact C-N 3.34Å; I155-K157 PolarHBondContact O-N 3.46Å; I155-E158 PolarHBondContact O-N 2.87Å; I155-R159 VanDerWaalsContact O-CB 3.23Å; I155-R159 WeakPolarHBondContact O-CB 3.25Å; I155-R159 PolarHBondContact O-N 3.19Å; I155-L209 HydrophobicContact CG1-CB 4.04Å; I155-L210 HydrophobicContact CG2-CD2 3.73Å; I155-V213 HydrophobicContact CD1-CG2 3.66Å
156L95.8Very high95.2Very high71 Ų7159.7 Ų59.737%0.37229%0.294SS..Hα-helixtrans-61.7-40.6178.2-73.7176.4000112.5F152 K153 T154 K160F152-L156 HydrophobicContact CD1-CD1 3.9Å; F152-L156 HydrophobicContact CD1-CD2 4.47Å; F152-L156 HydrophobicContact CD1-CG 3.85Å; F152-L156 HydrophobicContact CE1-CD1 3.95Å; F152-L156 HydrophobicContact CE1-CD2 3.8Å; F152-L156 HydrophobicContact CE1-CG 3.69Å; F152-L156 WeakPolarHBondContact O-CG 3.27Å; F152-L156 PolarHBondContact O-N 2.95Å; K153-L156 PolarHBondContact O-N 2.78Å; T154-L156 VanDerWaalsContact C-N 3.32Å; T154-L156 PolarHBondContact O-N 3.49Å; L156-K160 WeakPolarHBondContact O-CB 3.15Å; L156-K160 PolarHBondContact O-N 3.02Å
157K97.4Very high95Very high142 Ų14255.3 Ų55.362%0.61727%0.27SS*.Hα-helixtrans-63.8-49.6177.4-177.8-172.9172-167.10111.4K153 T154 I155 K160 L161K153-K157 PolarHBondContact O-N 3.26Å; T154-K157 WeakPolarHBondContact O-CB 3.36Å; T154-K157 PolarHBondContact O-N 3.09Å; T154-K157 VanDerWaalsContact O-N 3.14Å; I155-K157 VanDerWaalsContact C-N 3.34Å; I155-K157 PolarHBondContact O-N 3.46Å; K157-K160 PolarHBondContact O-N 3.26Å; K157-L161 PolarHBondContact O-N 3.17Å
158E96.8Very high94.8Very high28 Ų2856.2 Ų56.213%0.13128%0.275CS..Hα-helixtrans-69.3-36.2-178.4-61.8-49.8132.300111.8T154 I155 K160 L161 L162 Q202 I205 L209T154-E158 HydrophobicContact CG2-CG 4.49Å; T154-E158 PolarHBondContact O-N 2.96Å; I155-E158 PolarHBondContact O-N 2.87Å; E158-K160 PolarHBondContact O-N 2.75Å; E158-L161 PolarHBondContact O-N 3.34Å; E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 PolarHBondContact O-N 3.38Å; E158-Q202 PolarHBondContact O-NE2 3.37Å; E158-Q202 PolarHBondContact OE2-NE2 3.28Å; E158-I205 HydrophobicContact CG-CG2 4.11Å; E158-L209 HydrophobicContact CB-CD1 3.87Å; E158-L209 HydrophobicContact CG-CD1 3.49Å; E158-L209 VanDerWaalsContact CG-CD1 3.49Å
159R95.1Very high94.6Very high93 Ų9355.3 Ų55.335%0.35127%0.271SS..Hα-helixtrans-59.8-43.8170.4178-175.3173-177.4-2112L43 E47 I155 L161 L162 Q163L43-R159 HydrophobicContact CD2-CG 3.93Å; E47-R159 IonicContact OE2-NH1 2.76Å; E47-R159 PolarHBondContact OE2-NH1 2.83Å; I155-R159 VanDerWaalsContact O-CB 3.23Å; I155-R159 WeakPolarHBondContact O-CB 3.25Å; I155-R159 PolarHBondContact O-N 3.19Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L162 WeakPolarHBondContact O-CB 3.46Å; R159-L162 PolarHBondContact O-N 3.48Å; R159-Q163 PolarHBondContact O-N 3.5Å
160K95.7Very high94.5Very high151 Ų15151.5 Ų51.566%0.65725%0.253SS*.Hα-helixtrans-63.7-42176.4-175.3178-179.4178.50110.9L156 K157 E158 Q163 V164L156-K160 WeakPolarHBondContact O-CB 3.15Å; L156-K160 PolarHBondContact O-N 3.02Å; K157-K160 PolarHBondContact O-N 3.26Å; E158-K160 PolarHBondContact O-N 2.75Å; K160-Q163 PolarHBondContact O-N 3.39Å; K160-V164 WeakPolarHBondContact O-CG2 3.33Å; K160-V164 PolarHBondContact O-N 3.33Å
161L95.8Very high94.3Very high61 Ų6150.8 Ų50.832%0.31924%0.244SC..Hα-helixtrans-65.6-39.7177.3-174.255.7000111.8K157 E158 R159 Q163 V164 K165 Q202K157-L161 PolarHBondContact O-N 3.17Å; E158-L161 PolarHBondContact O-N 3.34Å; R159-L161 VanDerWaalsContact C-N 3.33Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 PolarHBondContact O-N 2.9Å; L161-V164 WeakPolarHBondContact O-CB 3.31Å; L161-V164 PolarHBondContact O-N 2.87Å; L161-K165 WeakPolarHBondContact O-CG 3.39Å; L161-K165 PolarHBondContact O-N 3.34Å; L161-Q202 HydrophobicContact CB-CG 4.41Å; L161-Q202 HydrophobicContact CG-CG 4.08Å
162L94.8Very high94.1Very high4 Ų446.5 Ų46.52%0.02122%0.221CC..Hα-helixtrans-57.6-45.6172.7177.361.1000111.6L35 L39 E158 R159 V164 K165 R166 F199 Q202 A203 T206L35-L162 HydrophobicContact CD1-CD2 4.48Å; L35-L162 HydrophobicContact CD2-CD2 4.26Å; L39-L162 HydrophobicContact CD2-CD2 3.99Å; E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 PolarHBondContact O-N 3.38Å; R159-L162 WeakPolarHBondContact O-CB 3.46Å; R159-L162 PolarHBondContact O-N 3.48Å; L162-V164 VanDerWaalsContact C-N 3.31Å; L162-V164 PolarHBondContact O-N 3.14Å; L162-K165 PolarHBondContact O-N 3.01Å; L162-R166 WeakPolarHBondContact O-CB 3.28Å; L162-R166 PolarHBondContact O-N 2.92Å; L162-F199 HydrophobicContact CD1-CD2 3.87Å; L162-F199 HydrophobicContact CD1-CE2 3.53Å; L162-F199 HydrophobicContact CD1-CZ 4.31Å; L162-F199 HydrophobicContact CG-CE2 4.47Å; L162-Q202 HydrophobicContact CB-CG 4.02Å; L162-Q202 HydrophobicContact CD1-CB 4.39Å; L162-Q202 HydrophobicContact CD1-CG 4.3Å; L162-A203 HydrophobicContact CD1-CB 3.86Å; L162-T206 HydrophobicContact CD2-CG2 3.99Å
163Q92.5Very high93.9Very high83 Ų8349.5 Ų49.539%0.38823%0.234SC..Hα-helixtrans-62.6-38.9176.9-174.2168.713.500112.2R159 K160 L161 R166 L167R159-Q163 PolarHBondContact O-N 3.5Å; K160-Q163 PolarHBondContact O-N 3.39Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-Q163 PolarHBondContact O-N 2.9Å; Q163-R166 PolarHBondContact O-N 2.89Å; Q163-L167 WeakPolarHBondContact O-CG 3.12Å; Q163-L167 PolarHBondContact O-N 2.92Å; Q163-L167 VanDerWaalsContact O-N 3.14Å
164V93.4Very high93.5Very high36 Ų3645.8 Ų45.822%0.21822%0.221CC..Hα-helixtrans-62.9-46.4174.3170.30000111.1K160 L161 L162 R166 L167 D168K160-V164 WeakPolarHBondContact O-CG2 3.33Å; K160-V164 PolarHBondContact O-N 3.33Å; L161-V164 WeakPolarHBondContact O-CB 3.31Å; L161-V164 PolarHBondContact O-N 2.87Å; L162-V164 VanDerWaalsContact C-N 3.31Å; L162-V164 PolarHBondContact O-N 3.14Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.4Å; V164-L167 PolarHBondContact O-N 3.47Å; V164-D168 PolarHBondContact O-N 3.13Å
165K94.5Very high93.1Very high33 Ų3348.1 Ų48.114%0.14322%0.223CC..Hα-helixtrans-65.5-34.1178.7-67.2-57.2-175.1179.60113L161 L162 D168 L169 E198 F199 Q202L161-K165 WeakPolarHBondContact O-CG 3.39Å; L161-K165 PolarHBondContact O-N 3.34Å; L162-K165 PolarHBondContact O-N 3.01Å; K165-D168 PolarHBondContact O-N 2.88Å; K165-L169 WeakPolarHBondContact O-CB 3.43Å; K165-L169 PolarHBondContact O-N 3.02Å; K165-E198 HydrophobicContact CD-CB 4.23Å; K165-E198 IonicContact NZ-OE2 2.79Å; K165-E198 PolarHBondContact NZ-OE2 3.04Å; K165-F199 HydrophobicContact CB-CB 4.29Å; K165-F199 HydrophobicContact CB-CD2 4.25Å; K165-Q202 HydrophobicContact CG-CB 4.17Å; K165-Q202 HydrophobicContact CG-CG 4.21Å
166R94.5Very high92.9Very high20 Ų2049.7 Ų49.78%0.07523%0.231CC..Hα-helixtrans-60.6-47.9172.2-167.4-152.376.8-150.60.7111.4E25 T33 L162 Q163 V164 D168 L169 D170 F199E25-R166 IonicContact OE1-CZ 2.76Å; E25-R166 IonicContact OE1-NE 3.66Å; E25-R166 IonicContact OE1-NH2 3.41Å; E25-R166 PolarHBondContact OE1-NH2 2.89Å; E25-R166 IonicContact OE2-CZ 3.89Å; E25-R166 IonicContact OE2-NH2 2.67Å; E25-R166 PolarHBondContact OE2-NH2 2.82Å; T33-R166 HydrophobicContact CG2-CG 4.32Å; T33-R166 WeakPolarHBondContact O-CD 3.36Å; L162-R166 WeakPolarHBondContact O-CB 3.28Å; L162-R166 PolarHBondContact O-N 2.92Å; Q163-R166 PolarHBondContact O-N 2.89Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.4Å; R166-D168 VanDerWaalsContact C-N 3.32Å; R166-D168 PolarHBondContact O-N 3.29Å; R166-L169 WeakPolarHBondContact O-CB 3.44Å; R166-L169 PolarHBondContact O-N 2.9Å; R166-D170 IonicContact NE-OD2 3.85Å; R166-D170 VanDerWaalsContact O-CG 3.29Å; R166-D170 PolarHBondContact O-N 3.41Å; R166-F199 HydrophobicContact CB-CD2 4.1Å; R166-F199 HydrophobicContact CB-CE2 3.78Å; R166-F199 HydrophobicContact CG-CE2 4.05Å
167L90.1Very high92.6Very high13 Ų1353.3 Ų53.37%0.06824%0.244CC..Hα-helixtrans-62.3-39.3177.2-70169.7000112.1R18 Q21 F22 E25 Q163 V164 D170 A171R18-L167 HydrophobicContact CG-CB 4.4Å; Q21-L167 HydrophobicContact CB-CD2 4.22Å; Q21-L167 HydrophobicContact CG-CD2 3.85Å; F22-L167 HydrophobicContact CB-CD1 4.36Å; F22-L167 HydrophobicContact CB-CD2 4.17Å; F22-L167 HydrophobicContact CD2-CD1 4.46Å; E25-L167 WeakPolarHBondContact OE1-CD2 3.45Å; Q163-L167 WeakPolarHBondContact O-CG 3.12Å; Q163-L167 PolarHBondContact O-N 2.92Å; Q163-L167 VanDerWaalsContact O-N 3.14Å; V164-L167 PolarHBondContact O-N 3.47Å; L167-D170 PolarHBondContact O-N 3.24Å; L167-A171 WeakPolarHBondContact O-CB 3.43Å; L167-A171 PolarHBondContact O-N 3.32Å
168D91.1Very high92.3Very high24 Ų2453.5 Ų53.513%0.12824%0.244CC..Hα-helixtrans-62.6-43.5175.6-69.6-21.7000111.3R18 V164 K165 R166 A171 A172R18-D168 WeakPolarHBondContact CG-OD1 3.35Å; R18-D168 IonicContact CZ-OD1 2.62Å; R18-D168 IonicContact CZ-OD2 2.64Å; R18-D168 IonicContact NE-OD1 3.38Å; R18-D168 PolarHBondContact NE-OD1 2.79Å; R18-D168 IonicContact NE-OD2 2.8Å; R18-D168 PolarHBondContact NE-OD2 3.33Å; R18-D168 IonicContact NH2-OD1 3.14Å; R18-D168 PolarHBondContact NH2-OD1 3.21Å; R18-D168 IonicContact NH2-OD2 3.01Å; R18-D168 PolarHBondContact NH2-OD2 3.12Å; V164-D168 PolarHBondContact O-N 3.13Å; K165-D168 PolarHBondContact O-N 2.88Å; R166-D168 VanDerWaalsContact C-N 3.32Å; R166-D168 PolarHBondContact O-N 3.29Å; D168-A171 PolarHBondContact O-N 3.27Å; D168-A172 WeakPolarHBondContact O-CB 3.44Å; D168-A172 PolarHBondContact O-N 3.01Å
169L92.7Very high92Very high0 Ų053.2 Ų53.20%025%0.247CC..Hα-helixtrans-62.7-44.2176176.558.6000111.9T33 K165 R166 A171 A172 K173 L192 Q196 F199T33-L169 HydrophobicContact CG2-CD2 4.29Å; K165-L169 WeakPolarHBondContact O-CB 3.43Å; K165-L169 PolarHBondContact O-N 3.02Å; R166-L169 WeakPolarHBondContact O-CB 3.44Å; R166-L169 PolarHBondContact O-N 2.9Å; L169-A171 VanDerWaalsContact C-N 3.34Å; L169-A171 PolarHBondContact O-N 3.46Å; L169-A172 PolarHBondContact O-N 3.21Å; L169-K173 HydrophobicContact CD1-CG 4.42Å; L169-K173 HydrophobicContact CG-CD 4.43Å; L169-K173 WeakPolarHBondContact O-CG 3.22Å; L169-K173 PolarHBondContact O-N 3.33Å; L169-L192 HydrophobicContact CD1-CD1 3.6Å; L169-Q196 HydrophobicContact CD1-CB 4.01Å; L169-F199 HydrophobicContact CD2-CB 4.11Å; L169-F199 HydrophobicContact CD2-CD1 3.77Å; L169-F199 HydrophobicContact CD2-CE1 4.37Å; L169-F199 HydrophobicContact CD2-CG 3.9Å
170D90.9Very high91.8Very high4 Ų460 Ų602%0.02127%0.273CS..Hα-helixtrans-63.5-39.8178-68.1-31.4000111.8Q21 T33 R166 L167 K173 T174Q21-D170 HydrophobicContact CG-CB 3.95Å; T33-D170 WeakPolarHBondContact CB-OD1 3.2Å; T33-D170 PolarHBondContact N-OD1 3.06Å; T33-D170 VanDerWaalsContact N-OD1 3.1Å; T33-D170 PolarHBondContact N-OD2 3.34Å; T33-D170 PolarHBondContact OG1-OD1 3.43Å; R166-D170 IonicContact NE-OD2 3.85Å; R166-D170 VanDerWaalsContact O-CG 3.29Å; R166-D170 PolarHBondContact O-N 3.41Å; L167-D170 PolarHBondContact O-N 3.24Å; D170-K173 PolarHBondContact O-N 2.94Å; D170-T174 WeakPolarHBondContact O-CB 3.28Å; D170-T174 PolarHBondContact O-N 3.38Å; D170-T174 PolarHBondContact O-OG1 3.03Å
171A89.5Confident91.7Very high20 Ų2059 Ų5917%0.16527%0.272CS..Hα-helixtrans-64.7-41.6173.800000112.1L167 D168 L169 T174 R175L167-A171 WeakPolarHBondContact O-CB 3.43Å; L167-A171 PolarHBondContact O-N 3.32Å; D168-A171 PolarHBondContact O-N 3.27Å; L169-A171 VanDerWaalsContact C-N 3.34Å; L169-A171 PolarHBondContact O-N 3.46Å; A171-T174 PolarHBondContact O-N 3.18Å; A171-R175 WeakPolarHBondContact O-CB 3.41Å; A171-R175 PolarHBondContact O-N 3.4Å
172A91Very high91.4Very high1 Ų160.8 Ų60.81%0.00829%0.287CS..Hα-helixtrans-65-43.2176.800000112D168 L169 T174 R175 L176 E191 L192 T195D168-A172 WeakPolarHBondContact O-CB 3.44Å; D168-A172 PolarHBondContact O-N 3.01Å; L169-A172 PolarHBondContact O-N 3.21Å; A172-T174 VanDerWaalsContact C-N 3.3Å; A172-T174 PolarHBondContact O-N 3.08Å; A172-R175 PolarHBondContact O-N 3.41Å; A172-L176 PolarHBondContact O-N 2.86Å; A172-E191 HydrophobicContact CB-CG 4.44Å; A172-L192 HydrophobicContact CB-CB 4.48Å; A172-L192 HydrophobicContact CB-CD1 4.11Å; A172-T195 HydrophobicContact CB-CG2 4.31Å; A172-T195 WeakPolarHBondContact CB-OG1 3.37Å
173K90.1Very high91.1Very high67 Ų6767.3 Ų67.329%0.29132%0.322SS..Hα-helixtrans-56.5-45.7172.4-73.8174.8179.5176.10111.1T33 L169 D170 L176 K177 L192T33-K173 PolarHBondContact OG1-NZ 2.88Å; L169-K173 HydrophobicContact CD1-CG 4.42Å; L169-K173 HydrophobicContact CG-CD 4.43Å; L169-K173 WeakPolarHBondContact O-CG 3.22Å; L169-K173 PolarHBondContact O-N 3.33Å; D170-K173 PolarHBondContact O-N 2.94Å; K173-L176 PolarHBondContact O-N 3.18Å; K173-K177 WeakPolarHBondContact O-CG 3.38Å; K173-K177 PolarHBondContact O-N 3.21Å; K173-L192 HydrophobicContact CB-CD1 4.44Å; K173-L192 HydrophobicContact CG-CD1 3.57Å
174T89.3Confident91Very high38 Ų3865.7 Ų65.723%0.23332%0.323CS..Hα-helixtrans-65.1-39.5178.5-60.90000112.2D170 A171 A172 K177 K178D170-T174 WeakPolarHBondContact O-CB 3.28Å; D170-T174 PolarHBondContact O-N 3.38Å; D170-T174 PolarHBondContact O-OG1 3.03Å; A171-T174 PolarHBondContact O-N 3.18Å; A172-T174 VanDerWaalsContact C-N 3.3Å; A172-T174 PolarHBondContact O-N 3.08Å; T174-K177 PolarHBondContact O-N 3.41Å; T174-K178 HydrophobicContact CG2-CD 4.17Å; T174-K178 WeakPolarHBondContact O-CG 3.24Å; T174-K178 PolarHBondContact O-N 3.41Å
175R88.4Confident90.9Very high114 Ų11470.6 Ų70.643%0.4334%0.338SS..Hα-helixtrans-66-41.3177.3-167.5176.1-65.5171.73.1111.9A171 A172 K178 A179 E191A171-R175 WeakPolarHBondContact O-CB 3.41Å; A171-R175 PolarHBondContact O-N 3.4Å; A172-R175 PolarHBondContact O-N 3.41Å; R175-K178 PolarHBondContact O-N 3.48Å; R175-K178 VanDerWaalsContact O-N 3.17Å; R175-A179 PolarHBondContact O-N 3.08Å; R175-E191 WeakPolarHBondContact CD-OE2 3.43Å; R175-E191 IonicContact CZ-OE1 2.72Å; R175-E191 IonicContact CZ-OE2 2.82Å; R175-E191 IonicContact NE-OE2 3.9Å; R175-E191 IonicContact NH1-OE1 2.79Å; R175-E191 PolarHBondContact NH1-OE1 2.98Å; R175-E191 IonicContact NH1-OE2 3.19Å; R175-E191 PolarHBondContact NH1-OE2 3.28Å
176L91.1Very high90.8Very high40 Ų4071.9 Ų71.921%0.20935%0.354CS..Hα-helixtrans-60.5-45.6173178.758.7000111.6A172 K173 K178 A179 R185 A188 E189 L192A172-L176 PolarHBondContact O-N 2.86Å; K173-L176 PolarHBondContact O-N 3.18Å; L176-K178 PolarHBondContact O-N 2.89Å; L176-A179 PolarHBondContact O-N 3.13Å; L176-R185 HydrophobicContact CD1-CG 3.96Å; L176-A188 HydrophobicContact CB-CB 4.22Å; L176-A188 HydrophobicContact CD1-CB 4.05Å; L176-E189 HydrophobicContact CD1-CG 3.46Å; L176-E189 VanDerWaalsContact CD1-CG 3.46Å; L176-E189 HydrophobicContact CD2-CG 4.08Å; L176-E189 HydrophobicContact CG-CG 4.44Å; L176-L192 HydrophobicContact CD2-CD2 3.47Å; L176-L192 VanDerWaalsContact CD2-CD2 3.47Å
177K90.5Very high90.7Very high147 Ų14773.9 Ų73.964%0.63938%0.375SS*.Hα-helixtrans-58.4-32.8175.4-71.9176.2-177.3178.60112.4E31 K173 T174E31-K177 IonicContact OE2-NZ 3.95Å; E31-K177 PolarHBondContact OE2-NZ 3.09Å; K173-K177 WeakPolarHBondContact O-CG 3.38Å; K173-K177 PolarHBondContact O-N 3.21Å; T174-K177 PolarHBondContact O-N 3.41Å
178K90.4Very high90.7Very high146 Ų14673.5 Ų73.564%0.63537%0.374SS*.Hα-helixtrans-86.5-17-179.7-70.8175.9-178.9174.20114T174 R175 L176 R180T174-K178 HydrophobicContact CG2-CD 4.17Å; T174-K178 WeakPolarHBondContact O-CG 3.24Å; T174-K178 PolarHBondContact O-N 3.41Å; R175-K178 PolarHBondContact O-N 3.48Å; R175-K178 VanDerWaalsContact O-N 3.17Å; L176-K178 PolarHBondContact O-N 2.89Å; K178-R180 PolarHBondContact O-N 3.31Å
179A91.3Very high90.8Very high23 Ų2376.9 Ų76.919%0.1939%0.389CS..  trans-73.7116.7-176.500000111.9R175 L176 R185 A188R175-A179 PolarHBondContact O-N 3.08Å; L176-A179 PolarHBondContact O-N 3.13Å; A179-R185 HydrophobicContact CB-CB 4.27Å; A179-A188 HydrophobicContact CB-CB 4.28Å
180R90.9Very high90.9Very high234 Ų23482.1 Ų82.188%0.88341%0.413SS*.  trans-101.4-30-177.4-62.4-173.6178.7-156.3-1.1114.3K178K178-R180 PolarHBondContact O-N 3.31Å
181M92.9Very high91Very high132 Ų13285.3 Ų85.365%0.6543%0.428SS*.SBendtrans-86.3144.3-177.9-58.9-56.8-70.500110.8D183 A184 R185M181-D183 PolarHBondContact O-N 3.36Å; M181-A184 HydrophobicContact CB-CB 4.1Å; M181-A184 PolarHBondContact O-N 3.05Å; M181-R185 WeakPolarHBondContact O-CB 3.45Å; M181-R185 PolarHBondContact O-N 3.32Å
182P89.6Confident91.2Very high98 Ų9886 Ų8664%0.63643%0.429SS*.Hα-helixtrans-53.9-47.5-178.9-26.934.6000113.7R185 A186P182-R185 PolarHBondContact O-N 3.3Å; P182-A186 PolarHBondContact O-N 3.08Å
183D89.4Confident91.4Very high140 Ų14095.1 Ų95.175%0.74946%0.463SS*.Hα-helixtrans-67.5-40.9-179.3-60.8-23.4000112.3M181 R185 A186 A187M181-D183 PolarHBondContact O-N 3.36Å; D183-R185 VanDerWaalsContact C-N 3.28Å; D183-R185 PolarHBondContact O-N 3.45Å; D183-A186 PolarHBondContact O-N 3.35Å; D183-A187 WeakPolarHBondContact O-CB 3.48Å; D183-A187 PolarHBondContact O-N 2.91Å
184A89.3Confident91.7Very high49 Ų4997 Ų9741%0.40547%0.474SS..Hα-helixtrans-66.2-33.8176.300000111.7M181 A188M181-A184 HydrophobicContact CB-CB 4.1Å; M181-A184 PolarHBondContact O-N 3.05Å; A184-A188 WeakPolarHBondContact O-CB 3.32Å; A184-A188 PolarHBondContact O-N 2.84Å
185R91.6Very high91.9Very high140 Ų14096.1 Ų96.153%0.52847%0.469SS..Hα-helixtrans-70.7-45.7176.3-172.5174.3177.5159.63.5111L176 A179 M181 P182 D183 A187 A188 E189L176-R185 HydrophobicContact CD1-CG 3.96Å; A179-R185 HydrophobicContact CB-CB 4.27Å; M181-R185 WeakPolarHBondContact O-CB 3.45Å; M181-R185 PolarHBondContact O-N 3.32Å; P182-R185 PolarHBondContact O-N 3.3Å; D183-R185 VanDerWaalsContact C-N 3.28Å; D183-R185 PolarHBondContact O-N 3.45Å; R185-A187 VanDerWaalsContact C-N 3.31Å; R185-A187 PolarHBondContact O-N 3.04Å; R185-A188 PolarHBondContact O-N 3.46Å; R185-E189 IonicContact NE-OE1 3.57Å; R185-E189 PolarHBondContact NE-OE1 2.98Å; R185-E189 WeakPolarHBondContact O-CG 3.45Å; R185-E189 PolarHBondContact O-N 3.27Å
186A92.8Very high92.2Very high59 Ų5993.5 Ų93.549%0.48846%0.462SS..Hα-helixtrans-58.8-42174.700000112P182 D183 E189 Q190P182-A186 PolarHBondContact O-N 3.08Å; D183-A186 PolarHBondContact O-N 3.35Å; A186-E189 PolarHBondContact O-N 2.92Å; A186-Q190 PolarHBondContact O-N 2.83Å; A186-Q190 VanDerWaalsContact O-N 3.09Å
187A91.1Very high92.5Very high63 Ų6395.3 Ų95.352%0.52148%0.477SS..Hα-helixtrans-64-43.4174.900000112.6D183 R185 Q190 E191D183-A187 WeakPolarHBondContact O-CB 3.48Å; D183-A187 PolarHBondContact O-N 2.91Å; R185-A187 VanDerWaalsContact C-N 3.31Å; R185-A187 PolarHBondContact O-N 3.04Å; A187-Q190 PolarHBondContact O-N 3.35Å; A187-E191 PolarHBondContact O-N 2.95Å
188A91.3Very high92.7Very high5 Ų591.7 Ų91.74%0.04146%0.463CS..Hα-helixtrans-68.6-34.2177.900000113L176 A179 A184 R185 E191 L192L176-A188 HydrophobicContact CB-CB 4.22Å; L176-A188 HydrophobicContact CD1-CB 4.05Å; A179-A188 HydrophobicContact CB-CB 4.28Å; A184-A188 WeakPolarHBondContact O-CB 3.32Å; A184-A188 PolarHBondContact O-N 2.84Å; R185-A188 PolarHBondContact O-N 3.46Å; A188-E191 PolarHBondContact O-N 3.29Å; A188-L192 WeakPolarHBondContact O-CB 3.47Å; A188-L192 PolarHBondContact O-N 2.88Å
189E93.6Very high93Very high95 Ų9585.5 Ų85.544%0.44444%0.436SS..Hα-helixtrans-64.9-41.5173.2-74176.2-175.200111.2L176 R185 A186 L192 R193L176-E189 HydrophobicContact CD1-CG 3.46Å; L176-E189 VanDerWaalsContact CD1-CG 3.46Å; L176-E189 HydrophobicContact CD2-CG 4.08Å; L176-E189 HydrophobicContact CG-CG 4.44Å; R185-E189 IonicContact NE-OE1 3.57Å; R185-E189 PolarHBondContact NE-OE1 2.98Å; R185-E189 WeakPolarHBondContact O-CG 3.45Å; R185-E189 PolarHBondContact O-N 3.27Å; A186-E189 PolarHBondContact O-N 2.92Å; E189-L192 PolarHBondContact O-N 3.02Å; E189-R193 PolarHBondContact O-N 3.46Å
190Q93.5Very high93.2Very high110 Ų11088.2 Ų88.251%0.51445%0.447SS..Hα-helixtrans-65.3-43174.8-175.364.37.800111.9A186 A187 R193 M194A186-Q190 PolarHBondContact O-N 2.83Å; A186-Q190 VanDerWaalsContact O-N 3.09Å; A187-Q190 PolarHBondContact O-N 3.35Å; Q190-R193 PolarHBondContact O-N 2.78Å; Q190-M194 WeakPolarHBondContact O-CG 3.37Å; Q190-M194 PolarHBondContact O-N 2.98Å; Q190-M194 VanDerWaalsContact O-N 3.08Å
191E93Very high93.5Very high70 Ų7083.8 Ų83.833%0.32743%0.43SS..Hα-helixtrans-61-43.3174.7-176.2177-169.700111.7A172 R175 A187 A188 R193 M194 T195A172-E191 HydrophobicContact CB-CG 4.44Å; R175-E191 WeakPolarHBondContact CD-OE2 3.43Å; R175-E191 IonicContact CZ-OE1 2.72Å; R175-E191 IonicContact CZ-OE2 2.82Å; R175-E191 IonicContact NE-OE2 3.9Å; R175-E191 IonicContact NH1-OE1 2.79Å; R175-E191 PolarHBondContact NH1-OE1 2.98Å; R175-E191 IonicContact NH1-OE2 3.19Å; R175-E191 PolarHBondContact NH1-OE2 3.28Å; A187-E191 PolarHBondContact O-N 2.95Å; A188-E191 PolarHBondContact O-N 3.29Å; E191-R193 PolarHBondContact O-N 3.41Å; E191-M194 PolarHBondContact O-N 2.93Å; E191-T195 WeakPolarHBondContact O-CG2 3.39Å; E191-T195 PolarHBondContact O-N 3.44Å; E191-T195 PolarHBondContact O-OG1 3.22Å
192L94.1Very high93.7Very high36 Ų3677.5 Ų77.519%0.18840%0.4CS..Hα-helixtrans-61.1-44.4176.2179.162.7000111.7L169 A172 K173 L176 A188 E189 M194 T195 Q196L169-L192 HydrophobicContact CD1-CD1 3.6Å; A172-L192 HydrophobicContact CB-CB 4.48Å; A172-L192 HydrophobicContact CB-CD1 4.11Å; K173-L192 HydrophobicContact CB-CD1 4.44Å; K173-L192 HydrophobicContact CG-CD1 3.57Å; L176-L192 HydrophobicContact CD2-CD2 3.47Å; L176-L192 VanDerWaalsContact CD2-CD2 3.47Å; A188-L192 WeakPolarHBondContact O-CB 3.47Å; A188-L192 PolarHBondContact O-N 2.88Å; E189-L192 PolarHBondContact O-N 3.02Å; L192-M194 VanDerWaalsContact C-N 3.33Å; L192-M194 PolarHBondContact O-N 3.44Å; L192-T195 WeakPolarHBondContact CA-OG1 3.17Å; L192-T195 PolarHBondContact O-N 3.26Å; L192-T195 PolarHBondContact O-OG1 2.96Å; L192-T195 VanDerWaalsContact O-OG1 3.07Å; L192-Q196 VanDerWaalsContact O-CB 3.24Å; L192-Q196 WeakPolarHBondContact O-CB 3.46Å; L192-Q196 PolarHBondContact O-N 3.44Å
193R95.9Very high94Very high192 Ų19273.6 Ų73.673%0.72538%0.376SS*.Hα-helixtrans-62.2-41.6178.5-174177.3178.9164.91.1112E189 Q190 E191 S197E189-R193 PolarHBondContact O-N 3.46Å; Q190-R193 PolarHBondContact O-N 2.78Å; E191-R193 PolarHBondContact O-N 3.41Å; R193-S197 PolarHBondContact O-N 3.32Å
194M95.9Very high94.3Very high106 Ų10670.7 Ų70.752%0.52236%0.357SS..Hα-helixtrans-65.8-49.9177.8-69.6-63.6-61.900111.6Q190 E191 L192 Q196 S197 E198Q190-M194 WeakPolarHBondContact O-CG 3.37Å; Q190-M194 PolarHBondContact O-N 2.98Å; Q190-M194 VanDerWaalsContact O-N 3.08Å; E191-M194 PolarHBondContact O-N 2.93Å; L192-M194 VanDerWaalsContact C-N 3.33Å; L192-M194 PolarHBondContact O-N 3.44Å; M194-Q196 PolarHBondContact O-N 3.14Å; M194-S197 PolarHBondContact O-N 3.46Å; M194-E198 WeakPolarHBondContact O-CG 3.36Å; M194-E198 PolarHBondContact O-N 2.88Å
195T93.3Very high94.7Very high19 Ų1970.9 Ų70.912%0.11735%0.351CS..Hα-helixtrans-65.4-36.3-179.649.30000112.9A172 E191 L192 E198 F199A172-T195 HydrophobicContact CB-CG2 4.31Å; A172-T195 WeakPolarHBondContact CB-OG1 3.37Å; E191-T195 WeakPolarHBondContact O-CG2 3.39Å; E191-T195 PolarHBondContact O-N 3.44Å; E191-T195 PolarHBondContact O-OG1 3.22Å; L192-T195 WeakPolarHBondContact CA-OG1 3.17Å; L192-T195 PolarHBondContact O-N 3.26Å; L192-T195 PolarHBondContact O-OG1 2.96Å; L192-T195 VanDerWaalsContact O-OG1 3.07Å; T195-E198 PolarHBondContact O-N 3.29Å; T195-F199 WeakPolarHBondContact O-CB 3.42Å; T195-F199 PolarHBondContact O-N 2.98Å
196Q94.9Very high94.9Very high60 Ų6064.2 Ų64.228%0.2833%0.326SS..Hα-helixtrans-60.7-49.6172.5-175.868.258.600111.1L169 L192 M194 E198 F199 D200L169-Q196 HydrophobicContact CD1-CB 4.01Å; L192-Q196 VanDerWaalsContact O-CB 3.24Å; L192-Q196 WeakPolarHBondContact O-CB 3.46Å; L192-Q196 PolarHBondContact O-N 3.44Å; M194-Q196 PolarHBondContact O-N 3.14Å; Q196-E198 VanDerWaalsContact C-N 3.28Å; Q196-E198 PolarHBondContact O-N 2.96Å; Q196-F199 PolarHBondContact O-N 3.19Å; Q196-F199 VanDerWaalsContact O-N 3.15Å; Q196-D200 PolarHBondContact NE2-OD1 3.05Å; Q196-D200 PolarHBondContact O-N 2.94Å
197S96.5Very high95.1Very high77 Ų7764.5 Ų64.554%0.53831%0.314SS..Hα-helixtrans-60.9-37.5178.4179.90000112.5R193 M194 R201R193-S197 PolarHBondContact O-N 3.32Å; M194-S197 PolarHBondContact O-N 3.46Å; S197-R201 WeakPolarHBondContact O-CB 3.47Å; S197-R201 PolarHBondContact O-N 3.47Å
198E96.2Very high95.3Very high72 Ų7266 Ų6634%0.33631%0.313SS..Hα-helixtrans-67.6-39.8175.4-71.1-175.1162.800112.9K165 M194 T195 Q196 Q202K165-E198 HydrophobicContact CD-CB 4.23Å; K165-E198 IonicContact NZ-OE2 2.79Å; K165-E198 PolarHBondContact NZ-OE2 3.04Å; M194-E198 WeakPolarHBondContact O-CG 3.36Å; M194-E198 PolarHBondContact O-N 2.88Å; T195-E198 PolarHBondContact O-N 3.29Å; Q196-E198 VanDerWaalsContact C-N 3.28Å; Q196-E198 PolarHBondContact O-N 2.96Å; E198-Q202 VanDerWaalsContact O-CB 3.31Å; E198-Q202 WeakPolarHBondContact O-CB 3.22Å; E198-Q202 PolarHBondContact O-N 3.36Å
199F96.4Very high95.5Very high16 Ų1668.6 Ų68.67%0.0733%0.326CS..Hα-helixtrans-63.9-48.9174.8171.4-100.5000111.1T33 L35 L162 K165 R166 L169 T195 Q196 R201 Q202 A203T33-F199 HydrophobicContact CG2-CE1 4.36Å; T33-F199 HydrophobicContact CG2-CZ 4.24Å; L35-F199 HydrophobicContact CD2-CE2 4.15Å; L35-F199 HydrophobicContact CD2-CZ 3.85Å; L162-F199 HydrophobicContact CD1-CD2 3.87Å; L162-F199 HydrophobicContact CD1-CE2 3.53Å; L162-F199 HydrophobicContact CD1-CZ 4.31Å; L162-F199 HydrophobicContact CG-CE2 4.47Å; K165-F199 HydrophobicContact CB-CB 4.29Å; K165-F199 HydrophobicContact CB-CD2 4.25Å; R166-F199 HydrophobicContact CB-CD2 4.1Å; R166-F199 HydrophobicContact CB-CE2 3.78Å; R166-F199 HydrophobicContact CG-CE2 4.05Å; L169-F199 HydrophobicContact CD2-CB 4.11Å; L169-F199 HydrophobicContact CD2-CD1 3.77Å; L169-F199 HydrophobicContact CD2-CE1 4.37Å; L169-F199 HydrophobicContact CD2-CG 3.9Å; T195-F199 WeakPolarHBondContact O-CB 3.42Å; T195-F199 PolarHBondContact O-N 2.98Å; Q196-F199 PolarHBondContact O-N 3.19Å; Q196-F199 VanDerWaalsContact O-N 3.15Å; F199-R201 VanDerWaalsContact C-N 3.34Å; F199-R201 PolarHBondContact O-N 3.35Å; F199-Q202 CarbonylContact O-C 3.6Å; F199-Q202 PolarHBondContact O-N 3.11Å; F199-A203 WeakPolarHBondContact O-CB 3.32Å; F199-A203 PolarHBondContact O-N 3.44Å
200D95.4Very high95.6Very high80 Ų8064.3 Ų64.343%0.42831%0.306SS..Hα-helixtrans-60.4-44.7-179.5-62.5-21.1000111.1Q196 Q202 A203 E204Q196-D200 PolarHBondContact NE2-OD1 3.05Å; Q196-D200 PolarHBondContact O-N 2.94Å; D200-Q202 VanDerWaalsContact C-N 3.3Å; D200-Q202 PolarHBondContact O-N 3.43Å; D200-A203 PolarHBondContact O-N 2.91Å; D200-E204 WeakPolarHBondContact O-CB 3.36Å; D200-E204 PolarHBondContact O-N 3.14Å
201R97.3Very high95.6Very high140 Ų14062.1 Ų62.153%0.52830%0.296SS..Hα-helixtrans-60.1-41174.8-170-167.269.681.814.6111.6S197 F199 I205S197-R201 WeakPolarHBondContact O-CB 3.47Å; S197-R201 PolarHBondContact O-N 3.47Å; F199-R201 VanDerWaalsContact C-N 3.34Å; F199-R201 PolarHBondContact O-N 3.35Å; R201-I205 HydrophobicContact CG-CD1 4.41Å; R201-I205 WeakPolarHBondContact O-CG1 3.45Å; R201-I205 PolarHBondContact O-N 3.36Å; R201-I205 VanDerWaalsContact O-N 3.14Å
202Q97.6Very high95.5Very high1 Ų160.4 Ų60.41%0.00530%0.297CS..Hα-helixtrans-72.8-35.6-179.8-169.759.645.800112.4E158 L161 L162 K165 E198 F199 D200 E204 T206E158-Q202 PolarHBondContact O-NE2 3.37Å; E158-Q202 PolarHBondContact OE2-NE2 3.28Å; L161-Q202 HydrophobicContact CB-CG 4.41Å; L161-Q202 HydrophobicContact CG-CG 4.08Å; L162-Q202 HydrophobicContact CB-CG 4.02Å; L162-Q202 HydrophobicContact CD1-CB 4.39Å; L162-Q202 HydrophobicContact CD1-CG 4.3Å; K165-Q202 HydrophobicContact CG-CB 4.17Å; K165-Q202 HydrophobicContact CG-CG 4.21Å; E198-Q202 VanDerWaalsContact O-CB 3.31Å; E198-Q202 WeakPolarHBondContact O-CB 3.22Å; E198-Q202 PolarHBondContact O-N 3.36Å; F199-Q202 CarbonylContact O-C 3.6Å; F199-Q202 PolarHBondContact O-N 3.11Å; D200-Q202 VanDerWaalsContact C-N 3.3Å; D200-Q202 PolarHBondContact O-N 3.43Å; Q202-E204 VanDerWaalsContact C-N 3.34Å; Q202-T206 WeakPolarHBondContact O-CB 3.32Å; Q202-T206 PolarHBondContact O-N 3.27Å; Q202-T206 PolarHBondContact O-OG1 2.85Å
203A95.5Very high95.4Very high16 Ų1659 Ų5913%0.13229%0.29CS..Hα-helixtrans-62.6-44.3174.500000110.2L39 L162 F199 D200 T206 R207L39-A203 HydrophobicContact CD2-CB 4.38Å; L162-A203 HydrophobicContact CD1-CB 3.86Å; F199-A203 WeakPolarHBondContact O-CB 3.32Å; F199-A203 PolarHBondContact O-N 3.44Å; D200-A203 PolarHBondContact O-N 2.91Å; A203-T206 PolarHBondContact O-N 3.4Å; A203-R207 WeakPolarHBondContact O-CB 3.48Å; A203-R207 PolarHBondContact O-N 3.42Å
204E96.1Very high94.8Very high79 Ų7952.4 Ų52.437%0.36927%0.273SS..Hα-helixtrans-63.4-45177.5-178.759.3-167.900112.8D200 Q202 T206 R207 L208D200-E204 WeakPolarHBondContact O-CB 3.36Å; D200-E204 PolarHBondContact O-N 3.14Å; Q202-E204 VanDerWaalsContact C-N 3.34Å; E204-T206 VanDerWaalsContact C-N 3.3Å; E204-T206 PolarHBondContact O-N 3.1Å; E204-R207 VanDerWaalsContact CD-NH2 3.28Å; E204-R207 WeakPolarHBondContact O-CB 3.25Å; E204-R207 PolarHBondContact O-N 3.21Å; E204-R207 IonicContact OE1-CZ 3.67Å; E204-R207 IonicContact OE1-NE 3.17Å; E204-R207 IonicContact OE1-NH2 2.84Å; E204-R207 PolarHBondContact OE1-NH2 2.94Å; E204-R207 IonicContact OE2-CZ 2.66Å; E204-R207 IonicContact OE2-NE 3.37Å; E204-R207 PolarHBondContact OE2-NE 3.21Å; E204-R207 IonicContact OE2-NH2 3.76Å; E204-R207 PolarHBondContact OE2-NH2 3.45Å; E204-R207 VanDerWaalsContact OE2-NH2 3.14Å; E204-L208 HydrophobicContact CG-CD1 4.4Å; E204-L208 WeakPolarHBondContact O-CG 3.4Å; E204-L208 PolarHBondContact O-N 3.48Å
205I96.6Very high94.4Very high52 Ų5251.6 Ų51.627%0.26728%0.278SS..Hα-helixtrans-58.2-45.9174.6-70.6166.1000110.8E158 R201 L208 L209E158-I205 HydrophobicContact CG-CG2 4.11Å; R201-I205 HydrophobicContact CG-CD1 4.41Å; R201-I205 WeakPolarHBondContact O-CG1 3.45Å; R201-I205 PolarHBondContact O-N 3.36Å; R201-I205 VanDerWaalsContact O-N 3.14Å; I205-L208 PolarHBondContact O-N 2.88Å; I205-L209 HydrophobicContact CG2-CD1 4.36Å; I205-L209 WeakPolarHBondContact O-CG 3.42Å; I205-L209 PolarHBondContact O-N 3.17Å
206T96.6Very high94.1Very high1 Ų151.7 Ų51.71%0.00628%0.279CS..Hα-helixtrans-64.9-42.4-179.7-52.50000110.6L162 Q202 A203 E204 L209 L210L162-T206 HydrophobicContact CD2-CG2 3.99Å; Q202-T206 WeakPolarHBondContact O-CB 3.32Å; Q202-T206 PolarHBondContact O-N 3.27Å; Q202-T206 PolarHBondContact O-OG1 2.85Å; A203-T206 PolarHBondContact O-N 3.4Å; E204-T206 VanDerWaalsContact C-N 3.3Å; E204-T206 PolarHBondContact O-N 3.1Å; T206-L209 PolarHBondContact O-N 2.97Å; T206-L210 HydrophobicContact CG2-CD1 3.89Å; T206-L210 HydrophobicContact CG2-CG 4.4Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 2.89Å
207R95.7Very high93.9Very high65 Ų6552.2 Ų52.225%0.24528%0.281CS..Hα-helixtrans-57.9-50.7177-173.6-175.671.583.10.2111.5L39 L42 A203 E204 L209 L210 E211L39-R207 HydrophobicContact CD1-CB 4.17Å; L42-R207 HydrophobicContact CD1-CG 3.98Å; A203-R207 WeakPolarHBondContact O-CB 3.48Å; A203-R207 PolarHBondContact O-N 3.42Å; E204-R207 VanDerWaalsContact CD-NH2 3.28Å; E204-R207 WeakPolarHBondContact O-CB 3.25Å; E204-R207 PolarHBondContact O-N 3.21Å; E204-R207 IonicContact OE1-CZ 3.67Å; E204-R207 IonicContact OE1-NE 3.17Å; E204-R207 IonicContact OE1-NH2 2.84Å; E204-R207 PolarHBondContact OE1-NH2 2.94Å; E204-R207 IonicContact OE2-CZ 2.66Å; E204-R207 IonicContact OE2-NE 3.37Å; E204-R207 PolarHBondContact OE2-NE 3.21Å; E204-R207 IonicContact OE2-NH2 3.76Å; E204-R207 PolarHBondContact OE2-NH2 3.45Å; E204-R207 VanDerWaalsContact OE2-NH2 3.14Å; R207-L209 VanDerWaalsContact C-N 3.31Å; R207-L209 PolarHBondContact O-N 3.03Å; R207-L210 PolarHBondContact O-N 2.94Å; R207-L210 VanDerWaalsContact O-N 3.15Å; R207-E211 WeakPolarHBondContact CG-OE1 3.5Å; R207-E211 IonicContact CZ-OE1 3.88Å; R207-E211 IonicContact CZ-OE2 3.97Å; R207-E211 IonicContact NH1-OE1 2.98Å; R207-E211 PolarHBondContact NH1-OE1 2.87Å; R207-E211 IonicContact NH1-OE2 3.83Å; R207-E211 PolarHBondContact NH1-OE2 2.93Å; R207-E211 WeakPolarHBondContact O-CG 3.39Å; R207-E211 PolarHBondContact O-N 3.26Å
208L95.5Very high93.6Very high95 Ų9550.8 Ų50.850%0.49727%0.274SS..Hα-helixtrans-59.5-41-179.7-70.6172.2000112.3E204 I205 E211 G212E204-L208 HydrophobicContact CG-CD1 4.4Å; E204-L208 WeakPolarHBondContact O-CG 3.4Å; E204-L208 PolarHBondContact O-N 3.48Å; I205-L208 PolarHBondContact O-N 2.88Å; L208-E211 PolarHBondContact O-N 3.39Å; L208-G212 PolarHBondContact O-N 3Å; L208-G212 VanDerWaalsContact O-N 3.12Å
209L95.7Very high93.5Very high59 Ų5951.4 Ų51.431%0.30928%0.277SS..Hα-helixtrans-65.4-42.1176-71.4172.2000112.3T154 I155 E158 I205 T206 R207 G212T154-L209 HydrophobicContact CG2-CD1 4.15Å; I155-L209 HydrophobicContact CG1-CB 4.04Å; E158-L209 HydrophobicContact CB-CD1 3.87Å; E158-L209 HydrophobicContact CG-CD1 3.49Å; E158-L209 VanDerWaalsContact CG-CD1 3.49Å; I205-L209 HydrophobicContact CG2-CD1 4.36Å; I205-L209 WeakPolarHBondContact O-CG 3.42Å; I205-L209 PolarHBondContact O-N 3.17Å; T206-L209 PolarHBondContact O-N 2.97Å; R207-L209 VanDerWaalsContact C-N 3.31Å; R207-L209 PolarHBondContact O-N 3.03Å; L209-G212 PolarHBondContact O-N 3.14Å
210L95.2Very high93.4Very high4 Ų451.3 Ų51.32%0.02128%0.276CS..Hα-helixtrans-68.5-35.4179.1-65.5165.9000112.2L39 L42 L43 A46 I155 T206 R207 G212 V213L39-L210 HydrophobicContact CD1-CD1 3.67Å; L42-L210 HydrophobicContact CB-CB 3.87Å; L42-L210 HydrophobicContact CB-CD1 3.96Å; L42-L210 HydrophobicContact CB-CG 4.49Å; L42-L210 HydrophobicContact CD1-CB 4.28Å; L42-L210 HydrophobicContact CG-CB 4.49Å; L43-L210 HydrophobicContact CD2-CD1 3.7Å; L43-L210 HydrophobicContact CD2-CD2 4.14Å; L43-L210 HydrophobicContact CG-CD1 3.76Å; A46-L210 HydrophobicContact CB-CD2 3.36Å; I155-L210 HydrophobicContact CG2-CD2 3.73Å; T206-L210 HydrophobicContact CG2-CD1 3.89Å; T206-L210 HydrophobicContact CG2-CG 4.4Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 2.89Å; R207-L210 PolarHBondContact O-N 2.94Å; R207-L210 VanDerWaalsContact O-N 3.15Å; L210-G212 VanDerWaalsContact C-N 3.26Å; L210-G212 PolarHBondContact O-N 3.14Å; L210-V213 VanDerWaalsContact O-CB 3.3Å; L210-V213 WeakPolarHBondContact O-CB 3.41Å; L210-V213 WeakPolarHBondContact O-CG2 3.5Å; L210-V213 PolarHBondContact O-N 3.19Å
211E93.3Very high93.4Very high64 Ų6452.5 Ų52.530%0.29928%0.282SS..Hα-helixtrans-63.5-36.2172.4-74.4173.8-178.200111.4H38 L42 R207 L208 V213 S214H38-E211 IonicContact CE1-OE1 3.59Å; H38-E211 PolarHBondContact CE1-OE1 3.4Å; L42-E211 HydrophobicContact CD1-CG 3.82Å; L42-E211 HydrophobicContact CD2-CG 4.2Å; R207-E211 WeakPolarHBondContact CG-OE1 3.5Å; R207-E211 IonicContact CZ-OE1 3.88Å; R207-E211 IonicContact CZ-OE2 3.97Å; R207-E211 IonicContact NH1-OE1 2.98Å; R207-E211 PolarHBondContact NH1-OE1 2.87Å; R207-E211 IonicContact NH1-OE2 3.83Å; R207-E211 PolarHBondContact NH1-OE2 2.93Å; R207-E211 WeakPolarHBondContact O-CG 3.39Å; R207-E211 PolarHBondContact O-N 3.26Å; L208-E211 PolarHBondContact O-N 3.39Å; E211-V213 PolarHBondContact O-N 3.36Å; E211-S214 WeakPolarHBondContact O-CB 3.41Å; E211-S214 PolarHBondContact O-N 3.21Å; E211-S214 VanDerWaalsContact O-N 3.11Å
212G91.8Very high93.4Very high35 Ų3553.4 Ų53.436%0.36129%0.285SS..Hα-helixtrans-56.4-27.7173.800000114.4L208 L209 L210 S214 S215 T216L208-G212 PolarHBondContact O-N 3Å; L208-G212 VanDerWaalsContact O-N 3.12Å; L209-G212 PolarHBondContact O-N 3.14Å; L210-G212 VanDerWaalsContact C-N 3.26Å; L210-G212 PolarHBondContact O-N 3.14Å; G212-S214 PolarHBondContact O-N 2.91Å; G212-S214 VanDerWaalsContact O-N 3.14Å; G212-S215 VanDerWaalsContact O-CB 3.28Å; G212-S215 WeakPolarHBondContact O-CB 3.4Å; G212-S215 PolarHBondContact O-N 3.4Å; G212-T216 PolarHBondContact O-N 3.27Å
213V91.5Very high93.4Very high6 Ų653.4 Ų53.44%0.03629%0.285CS..Hα-helixtrans-57.9-30.1176.9179.70000112A46 T49 I155 L210 E211 S215 T216 H217A46-V213 HydrophobicContact CB-CG2 4.21Å; T49-V213 HydrophobicContact CG2-CG1 3.82Å; I155-V213 HydrophobicContact CD1-CG2 3.66Å; L210-V213 VanDerWaalsContact O-CB 3.3Å; L210-V213 WeakPolarHBondContact O-CB 3.41Å; L210-V213 WeakPolarHBondContact O-CG2 3.5Å; L210-V213 PolarHBondContact O-N 3.19Å; E211-V213 PolarHBondContact O-N 3.36Å; V213-S215 VanDerWaalsContact C-N 3.3Å; V213-S215 PolarHBondContact O-N 2.99Å; V213-T216 WeakPolarHBondContact O-CB 3.49Å; V213-T216 PolarHBondContact O-N 3.46Å; V213-H217 PolarHBondContact O-N 2.65Å; V213-H217 VanDerWaalsContact O-N 3.1Å
214S83.9Confident93.5Very high53 Ų5356 Ų5637%0.37130%0.297SS..Hα-helixtrans-66.1-33.1176.6-580000112.2R45 E211 G212 H217R45-S214 PolarHBondContact NH2-OG 2.84Å; E211-S214 WeakPolarHBondContact O-CB 3.41Å; E211-S214 PolarHBondContact O-N 3.21Å; E211-S214 VanDerWaalsContact O-N 3.11Å; G212-S214 PolarHBondContact O-N 2.91Å; G212-S214 VanDerWaalsContact O-N 3.14Å; S214-H217 PolarHBondContact O-N 2.78Å
215S86.8Confident93.5Very high90 Ų9057.6 Ų57.663%0.62931%0.308SS*.Hα-helixtrans-67.9-41.3173.2-173.10000111.1G212 V213 H217 A218 H219G212-S215 VanDerWaalsContact O-CB 3.28Å; G212-S215 WeakPolarHBondContact O-CB 3.4Å; G212-S215 PolarHBondContact O-N 3.4Å; V213-S215 VanDerWaalsContact C-N 3.3Å; V213-S215 PolarHBondContact O-N 2.99Å; S215-H217 VanDerWaalsContact C-N 3.26Å; S215-H217 PolarHBondContact O-N 3.36Å; S215-A218 WeakPolarHBondContact O-CB 3.47Å; S215-A218 PolarHBondContact O-N 2.93Å; S215-A218 VanDerWaalsContact O-N 3.08Å; S215-H219 PolarHBondContact O-N 2.98Å
216T88.2Confident93.6Very high20 Ų2058.2 Ų58.212%0.12331%0.312CS..Hα-helixtrans-57.4-39.4174.7-48.50000111.8F147 G212 V213 A218 H219 H220F147-T216 HydrophobicContact CB-CG2 4.25Å; F147-T216 HydrophobicContact CD1-CG2 4.46Å; F147-T216 HydrophobicContact CD2-CG2 3.33Å; F147-T216 HydrophobicContact CE2-CG2 3.68Å; F147-T216 HydrophobicContact CG-CG2 3.76Å; F147-T216 HydrophobicContact CZ-CG2 4.36Å; G212-T216 PolarHBondContact O-N 3.27Å; V213-T216 WeakPolarHBondContact O-CB 3.49Å; V213-T216 PolarHBondContact O-N 3.46Å; T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 3.3Å; T216-H219 WeakPolarHBondContact O-CB 3.32Å; T216-H219 PolarHBondContact O-N 3.31Å; T216-H219 VanDerWaalsContact O-N 3.09Å; T216-H220 VanDerWaalsContact CG2-CE1 3.49Å; T216-H220 WeakPolarHBondContact CG2-CE1 3.38Å; T216-H220 WeakPolarHBondContact CG2-NE2 3.41Å; T216-H220 PolarHBondContact O-N 3.01Å
217H89.7Confident93.7Very high72 Ų7259.2 Ų59.233%0.33332%0.316SS..Hα-helixtrans-60.2-39.2175.9-78-171000113.2T49 V213 S214 S215 H219 H220 L221T49-H217 WeakPolarHBondContact CG2-NE2 3.44Å; T49-H217 PolarHBondContact OG1-CE1 3.36Å; T49-H217 PolarHBondContact OG1-NE2 2.93Å; V213-H217 PolarHBondContact O-N 2.65Å; V213-H217 VanDerWaalsContact O-N 3.1Å; S214-H217 PolarHBondContact O-N 2.78Å; S215-H217 VanDerWaalsContact C-N 3.26Å; S215-H217 PolarHBondContact O-N 3.36Å; H217-H219 PolarHBondContact O-N 2.92Å; H217-H220 PolarHBondContact O-N 2.93Å; H217-L221 WeakPolarHBondContact O-CG 3.47Å; H217-L221 PolarHBondContact O-N 3.37Å
218A91.4Very high93.8Very high46 Ų4660.1 Ų60.138%0.3833%0.328SS..Hα-helixtrans-62.6-35176.100000111.6S215 T216S215-A218 WeakPolarHBondContact O-CB 3.47Å; S215-A218 PolarHBondContact O-N 2.93Å; S215-A218 VanDerWaalsContact O-N 3.08Å; T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 3.3Å
219H92.5Very high93.9Very high86 Ų8661.6 Ų61.640%0.39833%0.333SS..Hα-helixtrans-70.3-47.9173.3-175.736.8000112.2S215 T216 H217 L221 R222 C223S215-H219 PolarHBondContact O-N 2.98Å; T216-H219 WeakPolarHBondContact O-CB 3.32Å; T216-H219 PolarHBondContact O-N 3.31Å; T216-H219 VanDerWaalsContact O-N 3.09Å; H217-H219 PolarHBondContact O-N 2.92Å; H219-L221 PolarHBondContact O-N 3.46Å; H219-R222 WeakPolarHBondContact O-CB 3.46Å; H219-R222 PolarHBondContact O-N 3.23Å; H219-C223 PolarHBondContact O-N 3.14Å; H219-C223 VanDerWaalsContact O-N 3.14Å; H219-C223 PolarHBondContact O-SG 3.44Å
220H94.4Very high94Very high13 Ų1359.4 Ų59.46%0.0632%0.323CS..Hα-helixtrans-59.5-33.6178.2-69177000112.9F144 F147 T216 H217 R222 C223 L224F144-H220 AromaticContact CD1-CD2 3.69Å; F144-H220 AromaticContact CD1-NE2 3.84Å; F144-H220 HydrophobicContact CE1-CB 3.91Å; F144-H220 AromaticContact CE1-CD2 3.55Å; F144-H220 AromaticContact CE1-CG 3.66Å; F144-H220 HydrophobicContact CZ-CB 4.25Å; F147-H220 AromaticContact CD1-CE1 3.83Å; T216-H220 VanDerWaalsContact CG2-CE1 3.49Å; T216-H220 WeakPolarHBondContact CG2-CE1 3.38Å; T216-H220 WeakPolarHBondContact CG2-NE2 3.41Å; T216-H220 PolarHBondContact O-N 3.01Å; H217-H220 PolarHBondContact O-N 2.93Å; H220-R222 VanDerWaalsContact C-N 3.31Å; H220-R222 PolarHBondContact O-N 3.42Å; H220-C223 WeakPolarHBondContact O-CB 3.33Å; H220-C223 PolarHBondContact O-N 3.18Å; H220-L224 WeakPolarHBondContact O-CG 3.46Å; H220-L224 PolarHBondContact O-N 3.06Å
221L96.2Very high94.2Very high105 Ų10561.5 Ų61.555%0.5533%0.333SS..Hα-helixtrans-61.1-38.6172.9-78.3172000112.2H217 H219 L224 N225H217-L221 WeakPolarHBondContact O-CG 3.47Å; H217-L221 PolarHBondContact O-N 3.37Å; H219-L221 PolarHBondContact O-N 3.46Å; L221-L224 HydrophobicContact CD2-CD1 4.45Å; L221-L224 PolarHBondContact O-N 3.04Å; L221-N225 PolarHBondContact O-N 2.88Å; L221-N225 PolarHBondContact O-ND2 3.31Å
222R96.6Very high94.4Very high159 Ų15962.5 Ų62.560%0.634%0.344SS*.Hα-helixtrans-66.4-47.3174.6-62.5-177.6-161.8130.45110.7H219 H220 L224 N225 D226H219-R222 WeakPolarHBondContact O-CB 3.46Å; H219-R222 PolarHBondContact O-N 3.23Å; H220-R222 VanDerWaalsContact C-N 3.31Å; H220-R222 PolarHBondContact O-N 3.42Å; R222-L224 PolarHBondContact O-N 3Å; R222-N225 WeakPolarHBondContact O-CA 3.34Å; R222-N225 WeakPolarHBondContact O-CB 3.33Å; R222-N225 PolarHBondContact O-N 3.19Å; R222-D226 VanDerWaalsContact O-CG 3.31Å; R222-D226 PolarHBondContact O-N 3.45Å
223C97.4Very high94.8Very high1 Ų163.9 Ų63.91%0.00735%0.345CS..Hα-helixtrans-54.7-40176.4-590000112.3N139 F140 F144 H219 H220 N225 D226 F227N139-C223 WeakPolarHBondContact O-CB 3.48Å; N139-C223 PolarHBondContact O-SG 3.15Å; F140-C223 HydrophobicContact CD2-CB 4.03Å; F140-C223 WeakPolarHBondContact CD2-O 3.39Å; F144-C223 HydrophobicContact CE1-CB 4.06Å; H219-C223 PolarHBondContact O-N 3.14Å; H219-C223 VanDerWaalsContact O-N 3.14Å; H219-C223 PolarHBondContact O-SG 3.44Å; H220-C223 WeakPolarHBondContact O-CB 3.33Å; H220-C223 PolarHBondContact O-N 3.18Å; C223-N225 VanDerWaalsContact C-N 3.35Å; C223-D226 PolarHBondContact O-N 3.48Å; C223-F227 WeakPolarHBondContact O-CB 3.47Å; C223-F227 PolarHBondContact O-N 3.26Å
224L97.8Very high95.1Very high72 Ų7265 Ų6538%0.37735%0.349SS..Hα-helixtrans-62.2-40.2175.3-77.1164.7000112.6F140 H220 L221 R222 V228F140-L224 HydrophobicContact CE2-CD2 3.63Å; F140-L224 HydrophobicContact CE2-CG 4.07Å; F140-L224 HydrophobicContact CZ-CD2 4.09Å; H220-L224 WeakPolarHBondContact O-CG 3.46Å; H220-L224 PolarHBondContact O-N 3.06Å; L221-L224 HydrophobicContact CD2-CD1 4.45Å; L221-L224 PolarHBondContact O-N 3.04Å; R222-L224 PolarHBondContact O-N 3Å; L224-V228 WeakPolarHBondContact O-CG2 3.34Å; L224-V228 PolarHBondContact O-N 3.38Å; L224-V228 VanDerWaalsContact O-N 3.14Å
225N97.6Very high95.8Very high111 Ų11169.2 Ų69.259%0.59436%0.358SS*.Hα-helixtrans-65.3-46.6174.8-75-84.5000110.7L221 R222 C223 F227 V228 E229L221-N225 PolarHBondContact O-N 2.88Å; L221-N225 PolarHBondContact O-ND2 3.31Å; R222-N225 WeakPolarHBondContact O-CA 3.34Å; R222-N225 WeakPolarHBondContact O-CB 3.33Å; R222-N225 PolarHBondContact O-N 3.19Å; C223-N225 VanDerWaalsContact C-N 3.35Å; N225-F227 VanDerWaalsContact C-N 3.26Å; N225-F227 PolarHBondContact O-N 3.23Å; N225-V228 PolarHBondContact O-N 3.43Å; N225-V228 VanDerWaalsContact O-N 3.13Å; N225-E229 WeakPolarHBondContact O-CB 3.32Å; N225-E229 PolarHBondContact O-N 3.23Å
226D97.3Very high96.4Very high65 Ų6567.7 Ų67.735%0.34835%0.35SS..Hα-helixtrans-59-38.5178.8-56.8-22.4000111.4N139 R222 C223 E229 A230N139-D226 HydrophobicContact CB-CB 4.2Å; R222-D226 VanDerWaalsContact O-CG 3.31Å; R222-D226 PolarHBondContact O-N 3.45Å; C223-D226 PolarHBondContact O-N 3.48Å; D226-E229 PolarHBondContact O-N 3.32Å; D226-A230 WeakPolarHBondContact O-CB 3.41Å; D226-A230 PolarHBondContact O-N 3.42Å
227F98.4Very high96.9Very high22 Ų2269.4 Ų69.410%0.09636%0.357CS..Hα-helixtrans-66.7-42.3176.5178.4-120.5000112.9T60 F132 F140 C223 N225 E229 A230 Q231T60-F227 HydrophobicContact CG2-CE2 3.81Å; T60-F227 HydrophobicContact CG2-CZ 3.84Å; F132-F227 HydrophobicContact CE2-CE2 4.25Å; F132-F227 HydrophobicContact CZ-CE2 4.21Å; F140-F227 HydrophobicContact CB-CB 4.11Å; F140-F227 HydrophobicContact CB-CD2 4.39Å; F140-F227 HydrophobicContact CB-CG 4.48Å; F140-F227 HydrophobicContact CD1-CD2 4.44Å; F140-F227 HydrophobicContact CD1-CG 4.43Å; F140-F227 HydrophobicContact CD2-CB 3.64Å; F140-F227 HydrophobicContact CD2-CG 4.13Å; F140-F227 HydrophobicContact CE2-CB 4.21Å; F140-F227 HydrophobicContact CE2-CG 4.47Å; F140-F227 HydrophobicContact CG-CB 3.91Å; F140-F227 HydrophobicContact CG-CD2 4.28Å; F140-F227 HydrophobicContact CG-CG 4.09Å; C223-F227 WeakPolarHBondContact O-CB 3.47Å; C223-F227 PolarHBondContact O-N 3.26Å; N225-F227 VanDerWaalsContact C-N 3.26Å; N225-F227 PolarHBondContact O-N 3.23Å; F227-E229 VanDerWaalsContact C-N 3.34Å; F227-A230 PolarHBondContact O-N 3.1Å; F227-Q231 HydrophobicContact CE2-CG 4.35Å; F227-Q231 HydrophobicContact CZ-CG 4.37Å; F227-Q231 PolarHBondContact O-N 3.09Å
228V98.4Very high97.3Very high84 Ų8466.8 Ų66.851%0.50935%0.347SS..Hα-helixtrans-66.8-39.1176.5171.40000110.7L224 N225 Q231 T232L224-V228 WeakPolarHBondContact O-CG2 3.34Å; L224-V228 PolarHBondContact O-N 3.38Å; L224-V228 VanDerWaalsContact O-N 3.14Å; N225-V228 PolarHBondContact O-N 3.43Å; N225-V228 VanDerWaalsContact O-N 3.13Å; V228-Q231 PolarHBondContact O-N 3.31Å; V228-T232 WeakPolarHBondContact O-CB 3.37Å; V228-T232 PolarHBondContact O-N 2.79Å; V228-T232 PolarHBondContact O-OG1 3.46Å
229E98.2Very high97.6Very high126 Ų12672 Ų7259%0.58936%0.358SS*.Hα-helixtrans-64-42.4175.2-173.8171.1-175.100111.8N225 D226 F227 T232 T233N225-E229 WeakPolarHBondContact O-CB 3.32Å; N225-E229 PolarHBondContact O-N 3.23Å; D226-E229 PolarHBondContact O-N 3.32Å; F227-E229 VanDerWaalsContact C-N 3.34Å; E229-T232 PolarHBondContact O-N 3.36Å; E229-T233 WeakPolarHBondContact O-CB 3.48Å; E229-T233 PolarHBondContact O-N 2.9Å; E229-T233 PolarHBondContact O-OG1 3.24Å
230A98.3Very high97.9Very high13 Ų1372.1 Ų72.111%0.10736%0.358CS..Hα-helixtrans-61-45.2174.900000111.9F132 D226 F227 T233 Y234F132-A230 HydrophobicContact CD2-CB 4.07Å; F132-A230 HydrophobicContact CE2-CB 4.33Å; D226-A230 WeakPolarHBondContact O-CB 3.41Å; D226-A230 PolarHBondContact O-N 3.42Å; F227-A230 PolarHBondContact O-N 3.1Å; A230-T233 PolarHBondContact O-N 2.81Å; A230-Y234 PolarHBondContact O-N 2.97Å; A230-Y234 VanDerWaalsContact O-N 3.08Å
231Q98.3Very high98.1Very high48 Ų4874.5 Ų74.522%0.22437%0.367CS..Hα-helixtrans-62.3-46175-78.8-170.665.500112.2F132 F227 V228 T233 Y234 Y235F132-Q231 HydrophobicContact CD2-CG 4.39Å; F132-Q231 HydrophobicContact CE2-CB 4.19Å; F132-Q231 HydrophobicContact CE2-CG 3.34Å; F132-Q231 HydrophobicContact CZ-CG 3.52Å; F227-Q231 HydrophobicContact CE2-CG 4.35Å; F227-Q231 HydrophobicContact CZ-CG 4.37Å; F227-Q231 PolarHBondContact O-N 3.09Å; V228-Q231 PolarHBondContact O-N 3.31Å; Q231-T233 VanDerWaalsContact C-N 3.32Å; Q231-T233 PolarHBondContact O-N 3.33Å; Q231-Y234 PolarHBondContact O-N 3.37Å; Q231-Y235 HydrophobicContact CB-CE2 4.46Å; Q231-Y235 WeakPolarHBondContact O-CD2 3.42Å; Q231-Y235 PolarHBondContact O-N 3.08Å
232T98.6Very high98.2Very high85 Ų8572.6 Ų72.652%0.52136%0.356SS..Hα-helixtrans-59-46.9-179.8-59.50000110.7V228 E229 Y234 Y235 A236V228-T232 WeakPolarHBondContact O-CB 3.37Å; V228-T232 PolarHBondContact O-N 2.79Å; V228-T232 PolarHBondContact O-OG1 3.46Å; E229-T232 PolarHBondContact O-N 3.36Å; T232-Y234 PolarHBondContact O-N 2.71Å; T232-Y235 PolarHBondContact O-N 2.77Å; T232-A236 VanDerWaalsContact O-CB 3.27Å; T232-A236 WeakPolarHBondContact O-CB 3.41Å; T232-A236 PolarHBondContact O-N 2.97Å
233T98.6Very high98.3Very high64 Ų6466.5 Ų66.539%0.39334%0.337SS..Hα-helixtrans-59.3-47.2177.9-580000111.3E229 A230 Q231 A236 Q237E229-T233 WeakPolarHBondContact O-CB 3.48Å; E229-T233 PolarHBondContact O-N 2.9Å; E229-T233 PolarHBondContact O-OG1 3.24Å; A230-T233 PolarHBondContact O-N 2.81Å; Q231-T233 VanDerWaalsContact C-N 3.32Å; Q231-T233 PolarHBondContact O-N 3.33Å; T233-A236 PolarHBondContact O-N 3.28Å; T233-Q237 WeakPolarHBondContact O-CB 3.23Å; T233-Q237 VanDerWaalsContact O-CG 3.32Å; T233-Q237 WeakPolarHBondContact O-CG 3.21Å; T233-Q237 PolarHBondContact O-N 3.08Å
234Y98.7Very high98.3Very high29 Ų2969 Ų6911%0.11435%0.35CS..Hα-helixtrans-57.9-53.4178.8171.1-112.6000112.8A128 E129 F132 A230 Q231 T232 A236 Q237 C238A128-Y234 HydrophobicContact CB-CD2 3.88Å; A128-Y234 HydrophobicContact CB-CE2 4.13Å; E129-Y234 VanDerWaalsContact CA-CE2 3.42Å; E129-Y234 HydrophobicContact CB-CE2 3.74Å; E129-Y234 HydrophobicContact CG-CE2 4.45Å; F132-Y234 HydrophobicContact CB-CD2 4.03Å; F132-Y234 HydrophobicContact CB-CG 3.97Å; F132-Y234 HydrophobicContact CD1-CD1 4.31Å; F132-Y234 HydrophobicContact CD1-CG 4.35Å; F132-Y234 HydrophobicContact CG-CD1 4.46Å; F132-Y234 HydrophobicContact CG-CG 4.11Å; A230-Y234 PolarHBondContact O-N 2.97Å; A230-Y234 VanDerWaalsContact O-N 3.08Å; Q231-Y234 PolarHBondContact O-N 3.37Å; T232-Y234 PolarHBondContact O-N 2.71Å; Y234-A236 VanDerWaalsContact C-N 3.34Å; Y234-A236 PolarHBondContact O-N 3.02Å; Y234-Q237 PolarHBondContact O-N 3.37Å; Y234-C238 WeakPolarHBondContact CE2-SG 3.4Å; Y234-C238 PolarHBondContact O-N 2.72Å; Y234-C238 PolarHBondContact O-SG 3.48Å
235Y98.7Very high98.2Very high143 Ų14366.4 Ų66.456%0.56134%0.336SS*.Hα-helixtrans-66.7-36.9-177.8-72-62.5000112.3Q231 T232 C238 Y239Q231-Y235 HydrophobicContact CB-CE2 4.46Å; Q231-Y235 WeakPolarHBondContact O-CD2 3.42Å; Q231-Y235 PolarHBondContact O-N 3.08Å; T232-Y235 PolarHBondContact O-N 2.77Å; Y235-C238 PolarHBondContact O-N 3.41Å; Y235-Y239 WeakPolarHBondContact O-CB 3.3Å; Y235-Y239 PolarHBondContact O-N 3.35Å
236A98.6Very high98.2Very high57 Ų5767.4 Ų67.447%0.47134%0.337SS..Hα-helixtrans-63.2-44175.500000112T232 T233 Y234 Y239 Q240T232-A236 VanDerWaalsContact O-CB 3.27Å; T232-A236 WeakPolarHBondContact O-CB 3.41Å; T232-A236 PolarHBondContact O-N 2.97Å; T233-A236 PolarHBondContact O-N 3.28Å; Y234-A236 VanDerWaalsContact C-N 3.34Å; Y234-A236 PolarHBondContact O-N 3.02Å; A236-Y239 PolarHBondContact O-N 3.1Å; A236-Q240 PolarHBondContact O-N 3.05Å
237Q98.4Very high98Very high56 Ų5670.4 Ų70.426%0.26235%0.347SS..Hα-helixtrans-62.6-48.1175.4-74.4177.9-5.900111.6A128 T233 Y234 Y239 Q240 Y241A128-Q237 HydrophobicContact CB-CB 4.49Å; T233-Q237 WeakPolarHBondContact O-CB 3.23Å; T233-Q237 VanDerWaalsContact O-CG 3.32Å; T233-Q237 WeakPolarHBondContact O-CG 3.21Å; T233-Q237 PolarHBondContact O-N 3.08Å; Y234-Q237 PolarHBondContact O-N 3.37Å; Q237-Y239 VanDerWaalsContact C-N 3.32Å; Q237-Y239 PolarHBondContact O-N 3.1Å; Q237-Q240 PolarHBondContact O-N 3.18Å; Q237-Q240 VanDerWaalsContact O-N 3.15Å; Q237-Y241 HydrophobicContact CB-CE2 4.12Å; Q237-Y241 WeakPolarHBondContact O-CD2 3.36Å; Q237-Y241 PolarHBondContact O-N 2.93Å
238C98.6Very high97.8Very high18 Ų1872.8 Ų72.812%0.12236%0.359CS..Hα-helixtrans-58.5-44.6178.7-67.60000111.8Y234 Y235 Q240 Y241 M242Y234-C238 WeakPolarHBondContact CE2-SG 3.4Å; Y234-C238 PolarHBondContact O-N 2.72Å; Y234-C238 PolarHBondContact O-SG 3.48Å; Y235-C238 PolarHBondContact O-N 3.41Å; C238-Q240 PolarHBondContact O-N 2.74Å; C238-Y241 PolarHBondContact O-N 3.23Å; C238-M242 VanDerWaalsContact O-CG 3.29Å; C238-M242 WeakPolarHBondContact O-CG 3.42Å; C238-M242 PolarHBondContact O-N 2.91Å
239Y98.6Very high97.5Very high156 Ų15671.7 Ų71.761%0.61235%0.35SS*.Hα-helixtrans-58.6-47.9175.5174.9-99.9000111.6Y235 A236 Q237 Y241 M242 V243Y235-Y239 WeakPolarHBondContact O-CB 3.3Å; Y235-Y239 PolarHBondContact O-N 3.35Å; A236-Y239 PolarHBondContact O-N 3.1Å; Q237-Y239 VanDerWaalsContact C-N 3.32Å; Q237-Y239 PolarHBondContact O-N 3.1Å; Y239-Y241 VanDerWaalsContact C-N 3.35Å; Y239-Y241 PolarHBondContact O-N 3.05Å; Y239-M242 PolarHBondContact O-N 3.23Å; Y239-V243 HydrophobicContact CD1-CG2 4.24Å; Y239-V243 HydrophobicContact CD2-CG2 4.39Å; Y239-V243 HydrophobicContact CE1-CG2 3.76Å; Y239-V243 HydrophobicContact CE2-CG2 3.93Å; Y239-V243 WeakPolarHBondContact O-CG2 3.44Å; Y239-V243 PolarHBondContact O-N 3.41Å
240Q98.6Very high96.8Very high87 Ų8768.9 Ų68.941%0.40736%0.355SS..Hα-helixtrans-60.8-43.5179.5-174.557.449.200111.9A236 Q237 C238 M242 V243 D244A236-Q240 PolarHBondContact O-N 3.05Å; Q237-Q240 PolarHBondContact O-N 3.18Å; Q237-Q240 VanDerWaalsContact O-N 3.15Å; C238-Q240 PolarHBondContact O-N 2.74Å; Q240-M242 VanDerWaalsContact C-N 3.33Å; Q240-M242 PolarHBondContact O-N 3.07Å; Q240-V243 PolarHBondContact O-N 3.32Å; Q240-D244 VanDerWaalsContact NE2-CG 3.28Å; Q240-D244 PolarHBondContact NE2-OD1 2.49Å; Q240-D244 PolarHBondContact NE2-OD2 2.81Å; Q240-D244 PolarHBondContact O-N 3.16Å
241Y98.6Very high95.9Very high64 Ų6472.6 Ų72.625%0.25138%0.38SS..Hα-helixtrans-59.8-41.9176.2-61.8-23.8000112.4Q124 I125 A128 Q237 C238 Y239 D244 L245Q124-Y241 HydrophobicContact CB-CD2 3.92Å; Q124-Y241 HydrophobicContact CB-CE2 3.96Å; Q124-Y241 HydrophobicContact CB-CG 4.33Å; I125-Y241 HydrophobicContact CG1-CD2 4.21Å; A128-Y241 HydrophobicContact CB-CE2 4.22Å; Q237-Y241 HydrophobicContact CB-CE2 4.12Å; Q237-Y241 WeakPolarHBondContact O-CD2 3.36Å; Q237-Y241 PolarHBondContact O-N 2.93Å; C238-Y241 PolarHBondContact O-N 3.23Å; Y239-Y241 VanDerWaalsContact C-N 3.35Å; Y239-Y241 PolarHBondContact O-N 3.05Å; Y241-D244 PolarHBondContact O-N 3.36Å; Y241-L245 WeakPolarHBondContact O-CB 3.37Å; Y241-L245 PolarHBondContact O-N 3.18Å
242M98.1Very high94.8Very high65 Ų6572.8 Ų72.832%0.3238%0.38SS..Hα-helixtrans-67.9-40.2177.7-66.1-68.587.300112.6T121 I125 C238 Y239 Q240 D244 L245 Q246T121-M242 HydrophobicContact CG2-CE 3.23Å; I125-M242 HydrophobicContact CD1-CE 3.34Å; I125-M242 HydrophobicContact CD1-CG 4.46Å; I125-M242 HydrophobicContact CD1-SD 3.95Å; I125-M242 HydrophobicContact CG1-CE 4.35Å; C238-M242 VanDerWaalsContact O-CG 3.29Å; C238-M242 WeakPolarHBondContact O-CG 3.42Å; C238-M242 PolarHBondContact O-N 2.91Å; Y239-M242 PolarHBondContact O-N 3.23Å; Q240-M242 VanDerWaalsContact C-N 3.33Å; Q240-M242 PolarHBondContact O-N 3.07Å; M242-D244 VanDerWaalsContact C-N 3.34Å; M242-D244 PolarHBondContact O-N 3.34Å; M242-L245 HydrophobicContact CE-CD2 4.01Å; M242-L245 PolarHBondContact O-N 2.94Å; M242-Q246 WeakPolarHBondContact O-CG 3.42Å; M242-Q246 PolarHBondContact O-N 3.01Å
243V97.9Very high92.9Very high31 Ų3173.2 Ų73.219%0.18838%0.384CS..Hα-helixtrans-62.6-42.4175.7168.20000111.1Y239 Q240 Q246 K247Y239-V243 HydrophobicContact CD1-CG2 4.24Å; Y239-V243 HydrophobicContact CD2-CG2 4.39Å; Y239-V243 HydrophobicContact CE1-CG2 3.76Å; Y239-V243 HydrophobicContact CE2-CG2 3.93Å; Y239-V243 WeakPolarHBondContact O-CG2 3.44Å; Y239-V243 PolarHBondContact O-N 3.41Å; Q240-V243 PolarHBondContact O-N 3.32Å; V243-Q246 PolarHBondContact O-N 2.89Å; V243-K247 PolarHBondContact O-N 2.96Å
244D97.3Very high90.9Very high53 Ų5374.6 Ų74.628%0.28340%0.396SS..Hα-helixtrans-71.1-33.7179-68.6-27.9000112.2Q240 Y241 M242 K247 Q248Q240-D244 VanDerWaalsContact NE2-CG 3.28Å; Q240-D244 PolarHBondContact NE2-OD1 2.49Å; Q240-D244 PolarHBondContact NE2-OD2 2.81Å; Q240-D244 PolarHBondContact O-N 3.16Å; Y241-D244 PolarHBondContact O-N 3.36Å; M242-D244 VanDerWaalsContact C-N 3.34Å; M242-D244 PolarHBondContact O-N 3.34Å; D244-K247 PolarHBondContact O-N 3.47Å; D244-K247 IonicContact OD1-NZ 2.67Å; D244-K247 PolarHBondContact OD1-NZ 2.98Å; D244-Q248 WeakPolarHBondContact O-CG 3.4Å; D244-Q248 PolarHBondContact O-N 3.48Å
245L97.3Very high88.5Confident18 Ų1878.1 Ų78.19%0.09443%0.425CS..Hα-helixtrans-60.7-44.5171.2178.361.1000111.6K117 T121 Y241 M242 K247 Q248 L249K117-L245 HydrophobicContact CB-CD1 4.04Å; T121-L245 HydrophobicContact CG2-CB 4.15Å; T121-L245 HydrophobicContact CG2-CD2 4.24Å; Y241-L245 WeakPolarHBondContact O-CB 3.37Å; Y241-L245 PolarHBondContact O-N 3.18Å; M242-L245 HydrophobicContact CE-CD2 4.01Å; M242-L245 PolarHBondContact O-N 2.94Å; L245-K247 VanDerWaalsContact C-N 3.27Å; L245-K247 PolarHBondContact O-N 3.4Å; L245-Q248 PolarHBondContact O-N 3.21Å; L245-Q248 VanDerWaalsContact O-N 3.11Å; L245-L249 HydrophobicContact CD1-CD1 4.17Å; L245-L249 HydrophobicContact CD1-CD2 4.05Å; L245-L249 HydrophobicContact CD1-CG 3.84Å; L245-L249 HydrophobicContact CG-CD1 4.11Å; L245-L249 HydrophobicContact CG-CG 4.16Å; L245-L249 WeakPolarHBondContact O-CG 3.44Å; L245-L249 PolarHBondContact O-N 3.4Å
246Q95.8Very high86Confident131 Ų13180.8 Ų80.861%0.61244%0.44SS*.Hα-helixtrans-57-41.6177-73.5-179.9-11.300112.2M242 V243 L249 G250M242-Q246 WeakPolarHBondContact O-CG 3.42Å; M242-Q246 PolarHBondContact O-N 3.01Å; V243-Q246 PolarHBondContact O-N 2.89Å; Q246-L249 PolarHBondContact O-N 3.25Å; Q246-G250 PolarHBondContact O-N 2.93Å
247K94.6Very high83.2Confident129 Ų12982.9 Ų82.956%0.56145%0.451SS*.Hα-helixtrans-64.8-43.5175.9-62.2170.4-165157.10111.7V243 D244 L245 G250 S251V243-K247 PolarHBondContact O-N 2.96Å; D244-K247 PolarHBondContact O-N 3.47Å; D244-K247 IonicContact OD1-NZ 2.67Å; D244-K247 PolarHBondContact OD1-NZ 2.98Å; L245-K247 VanDerWaalsContact C-N 3.27Å; L245-K247 PolarHBondContact O-N 3.4Å; K247-G250 PolarHBondContact O-N 2.9Å; K247-S251 PolarHBondContact O-N 3.24Å
248Q93.8Very high80.3Confident72 Ų7286.9 Ų86.934%0.33648%0.475SS..Hα-helixtrans-63.4-43.6178.3-70.6177.240.900111.5D244 L245 S251D244-Q248 WeakPolarHBondContact O-CG 3.4Å; D244-Q248 PolarHBondContact O-N 3.48Å; L245-Q248 PolarHBondContact O-N 3.21Å; L245-Q248 VanDerWaalsContact O-N 3.11Å; Q248-S251 WeakPolarHBondContact O-CB 3.32Å; Q248-S251 PolarHBondContact O-N 2.97Å; Q248-S251 PolarHBondContact O-OG 3.37Å
249L91.8Very high77.8Confident61 Ų6193.1 Ų93.132%0.31951%0.507SS..Hα-helixtrans-67.5-36.5178.3-65-174.4000112.3A114 K117 L245 Q246 S251 F252A114-L249 HydrophobicContact CB-CD2 3.99Å; K117-L249 HydrophobicContact CB-CD2 4.29Å; L245-L249 HydrophobicContact CD1-CD1 4.17Å; L245-L249 HydrophobicContact CD1-CD2 4.05Å; L245-L249 HydrophobicContact CD1-CG 3.84Å; L245-L249 HydrophobicContact CG-CD1 4.11Å; L245-L249 HydrophobicContact CG-CG 4.16Å; L245-L249 WeakPolarHBondContact O-CG 3.44Å; L245-L249 PolarHBondContact O-N 3.4Å; Q246-L249 PolarHBondContact O-N 3.25Å; L249-S251 PolarHBondContact O-N 3.44Å; L249-F252 HydrophobicContact CD2-CD2 4.09Å; L249-F252 HydrophobicContact CD2-CE2 3.69Å; L249-F252 WeakPolarHBondContact O-CD2 3.41Å; L249-F252 PolarHBondContact O-N 2.88Å
250G84.1Confident75.2Confident67 Ų6792 Ų9269%0.69151%0.511SS*.Hα-helixtrans-65.7-14.7175.800000114.3Q246 K247Q246-G250 PolarHBondContact O-N 2.93Å; K247-G250 PolarHBondContact O-N 2.9Å
251S78.7Confident72.6Confident90 Ų9096.3 Ų96.363%0.62953%0.531SS*.THydrogen-bonded Turntrans-82.4-13.6175.777.40000113.8K247 Q248 L249K247-S251 PolarHBondContact O-N 3.24Å; Q248-S251 WeakPolarHBondContact O-CB 3.32Å; Q248-S251 PolarHBondContact O-N 2.97Å; Q248-S251 PolarHBondContact O-OG 3.37Å; L249-S251 PolarHBondContact O-N 3.44Å
252F75.4Confident69.6Low53 Ų5398.5 Ų98.523%0.23256%0.556CS.*SBendtrans-71129.9176-67.9-59000110N113 A114 K117 L249 S254N113-F252 HydrophobicContact CB-CD1 4.28Å; N113-F252 HydrophobicContact CB-CE1 3.48Å; N113-F252 VanDerWaalsContact CB-CE1 3.48Å; N113-F252 HydrophobicContact CB-CZ 3.75Å; A114-F252 HydrophobicContact CB-CD2 4.24Å; A114-F252 HydrophobicContact CB-CE2 4.03Å; K117-F252 HydrophobicContact CG-CE2 4.37Å; K117-F252 HydrophobicContact CG-CZ 4.03Å; L249-F252 HydrophobicContact CD2-CD2 4.09Å; L249-F252 HydrophobicContact CD2-CE2 3.69Å; L249-F252 WeakPolarHBondContact O-CD2 3.41Å; L249-F252 PolarHBondContact O-N 2.88Å; F252-S254 PolarHBondContact O-N 3.24Å; F252-S254 VanDerWaalsContact O-N 3.1Å
253P59.2Low66.9Low93 Ų93100.3 Ų100.360%0.60458%0.575SS**  trans-59.1122.8174.923.4-30.6000108.1S255P253-S255 PolarHBondContact O-N 3.32Å
254S56.5Low63.9Low93 Ų93107.1 Ų107.165%0.6561%0.607SS**  trans-68.271.1168.950.70000109F252 F256 S257F252-S254 PolarHBondContact O-N 3.24Å; F252-S254 VanDerWaalsContact O-N 3.1Å; S254-F256 PolarHBondContact O-N 2.78Å; S254-S257 PolarHBondContact O-N 2.81Å; S254-S257 VanDerWaalsContact O-N 3.11Å
255S46.9Very low61.3Low103 Ų103110.2 Ų110.272%0.7263%0.633SS**THydrogen-bonded Turntrans-67.45.5170.7-77.30000112.7P253 S257P253-S255 PolarHBondContact O-N 3.32Å; S255-S257 PolarHBondContact O-N 3.26Å
256F47.7Very low58.2Low199 Ų199112.9 Ų112.987%0.87367%0.665SS**THydrogen-bonded Turntrans-78.54.4163.4-80.9-81.1000113.7S254 N258S254-F256 PolarHBondContact O-N 2.78Å; F256-N258 PolarHBondContact O-N 2.76Å; F256-N258 VanDerWaalsContact O-N 3.12Å
257S39Very low55.4Low102 Ų102110.2 Ų110.271%0.71367%0.672SS**SBendtrans-77.792.9162-80.30000109.5S254 S255S254-S257 PolarHBondContact O-N 2.81Å; S254-S257 VanDerWaalsContact O-N 3.11Å; S255-S257 PolarHBondContact O-N 3.26Å
258N37.7Very low52.7Low140 Ų140108.6 Ų108.675%0.74968%0.683SS**  trans-54.5131.7-175.2-157.932.6000112.9F256 N260F256-N258 PolarHBondContact O-N 2.76Å; F256-N258 VanDerWaalsContact O-N 3.12Å; N258-N260 PolarHBondContact O-N 3.27Å
259N45.1Very low50Low148 Ų148112.5 Ų112.579%0.79171%0.706SS**SBendtrans-64.2125159.8-153.510.5000107.2
260N45.3Very low47.4Very low132 Ų132115.4 Ų115.471%0.70673%0.726SS**SBendtrans84.2107178.6-85.2-17.9000120.8N258N258-N260 PolarHBondContact O-N 3.27Å
261Q43.3Very low45Very low179 Ų179117.4 Ų117.484%0.83673%0.729SS**  trans81.8129.5146.1-75.6-176.7600122
262S35Very low43.1Very low109 Ų109117.4 Ų117.476%0.76273%0.725SS**  trans71.296.9164.253.30000118.8M264S262-M264 PolarHBondContact O-N 3.15Å
263S42.7Very low41.3Very low104 Ų104120.6 Ų120.673%0.72775%0.752SS**  trans8.2103134.755.60000116.6
264M33.8Very low40.3Very low174 Ų174122 Ų12286%0.85776%0.759SS**  -153.8123.4126.1-135.157.988.100110.2S262S262-M264 PolarHBondContact O-N 3.15Å
265S42.8Very low39.4Very low118 Ų118121.5 Ų121.583%0.82576%0.76SS**  trans-59.6139.3174.546.80000112.7
266G33.3Very low38.9Very low74 Ų74121.9 Ų121.976%0.76376%0.76SS**  trans165.664.6166.400000113.1A268G266-A268 PolarHBondContact O-N 3.03Å; G266-A268 VanDerWaalsContact O-N 3.14Å
267G36.3Very low38.6Very low74 Ų74121.5 Ų121.576%0.76376%0.763SS**  trans-58.8117163.800000108.5N269G267-N269 PolarHBondContact O-N 2.98Å
268A38.1Very low39Very low95 Ų95122.2 Ų122.279%0.78577%0.768SS**  trans-70.778.9173.500000108.8G266 V270G266-A268 PolarHBondContact O-N 3.03Å; G266-A268 VanDerWaalsContact O-N 3.14Å; A268-V270 VanDerWaalsContact C-N 3.29Å; A268-V270 PolarHBondContact O-N 3.48Å
269N36.7Very low38.7Very low154 Ų154120.1 Ų120.182%0.82477%0.77SS**  trans-65.797.8157.8-84.5-5.6000106.5G267 S271G267-N269 PolarHBondContact O-N 2.98Å; N269-S271 VanDerWaalsContact C-N 3.34Å; N269-S271 PolarHBondContact O-N 2.9Å
270V37.9Very low38.2Very low123 Ų123118.6 Ų118.675%0.74577%0.771SS**  trans-67.5101.3162.1176.50000106A268 V272A268-V270 VanDerWaalsContact C-N 3.29Å; A268-V270 PolarHBondContact O-N 3.48Å; V270-V272 VanDerWaalsContact C-N 3.35Å; V270-V272 PolarHBondContact O-N 3.36Å
271S33.8Very low37.6Very low109 Ų109120.3 Ų120.376%0.76278%0.78SS**  trans-62.4100.3164.9-60.70000107.8N269N269-S271 VanDerWaalsContact C-N 3.34Å; N269-S271 PolarHBondContact O-N 2.9Å
272V39.7Very low37Very low89 Ų89117.2 Ų117.254%0.53978%0.775SS.*  trans-59.1128.4159.2-177.20000106.3V270 T274V270-V272 VanDerWaalsContact C-N 3.35Å; V270-V272 PolarHBondContact O-N 3.36Å; V272-T274 PolarHBondContact O-N 3.36Å
273P36.7Very low36.9Very low121 Ų121117.3 Ų117.379%0.78678%0.776SS**  trans-67.996.3162.711.5-0.2000106.5A275P273-A275 PolarHBondContact O-N 3.46Å
274T38.7Very low36.4Very low123 Ų123119.1 Ų119.176%0.75578%0.782SS**  trans-67.490.1165.4-47.20000106.8V272 P276V272-T274 PolarHBondContact O-N 3.36Å; T274-P276 VanDerWaalsContact O-CD 3.24Å; T274-P276 WeakPolarHBondContact O-CD 3.46Å
275A37Very low36.3Very low82 Ų82115.9 Ų115.968%0.67878%0.776SS**  trans-67.4116.8162.300000107P273 M277P273-A275 PolarHBondContact O-N 3.46Å; A275-M277 PolarHBondContact O-N 3.12Å
276P36Very low36.1Very low110 Ų110115.7 Ų115.771%0.71478%0.782SS**  trans-63.8125.4170.625.5-30.1000108T274 S278T274-P276 VanDerWaalsContact O-CD 3.24Å; T274-P276 WeakPolarHBondContact O-CD 3.46Å; P276-S278 PolarHBondContact O-N 3.22Å
277M42.3Very low35.9Very low192 Ų192115.4 Ų115.495%0.94678%0.779SS**SBendtrans-66.885.1169-63.2-169.388.200108.6A275A275-M277 PolarHBondContact O-N 3.12Å
278S46Very low36.2Very low116 Ų116117 Ų11781%0.81178%0.779SS**  trans-165.578.8162.5-78.50000107.1P276P276-S278 PolarHBondContact O-N 3.22Å
279A33.4Very low35.7Very low97 Ų97118 Ų11880%0.80278%0.78SS**  trans-137.5107.1166.500000108.2
280S34.6Very low35.6Very low116 Ų116115.2 Ų115.281%0.81177%0.772SS**  trans-40.5139.6160.5-23.30000110.6
281L31.6Very low35.4Very low168 Ų168117 Ų11788%0.8878%0.776SS**  trans-38.7126.5169.4-72.2150.2000111.8S283L281-S283 PolarHBondContact O-N 3.11Å
282P31.4Very low35.6Very low114 Ų114116 Ų11674%0.7478%0.775SS**  trans-72.7120.6159.98.55.4000108.2V284P282-V284 PolarHBondContact O-N 3.5Å
283S33.1Very low35.7Very low111 Ų111115.8 Ų115.878%0.77678%0.783SS**  trans-56.3113.7160.3170.90000108.7L281 S285L281-S283 PolarHBondContact O-N 3.11Å; S283-S285 PolarHBondContact O-N 2.94Å
284V31Very low36.2Very low142 Ų142112.1 Ų112.186%0.86177%0.767SS**  trans-79.497.8172.1-1200000108.1P282P282-V284 PolarHBondContact O-N 3.5Å
285S31.8Very low37Very low105 Ų105107.1 Ų107.173%0.73474%0.74SS**  trans-66.7131.2157.429.30000109.2S283 G287S283-S285 PolarHBondContact O-N 2.94Å; S285-G287 PolarHBondContact O-N 3.14Å
286A39.8Very low37.9Very low114 Ų114105.3 Ų105.394%0.94272%0.717SS**  trans-53.6121.1175.900000111.4
287G29.1Very low39Very low68 Ų68103.8 Ų103.870%0.70171%0.709SS**  trans-151.5114.3176.200000110.3S285S285-G287 PolarHBondContact O-N 3.14Å
288S40.6Very low39.7Very low109 Ų109100.1 Ų100.176%0.76269%0.689SS**  trans-52.7136.3-172.7-168.90000115.3
289S28.9Very low40.3Very low116 Ų11694.6 Ų94.681%0.81165%0.651SS**  trans-143.273.9160.942.90000110.6
290S33.3Very low41.5Very low94 Ų9495 Ų9566%0.65763%0.631SS**  trans-99.426.7179.158.30000114.3
291L35Very low42.4Very low160 Ų16094.5 Ų94.584%0.83863%0.628SS**  trans-89.2-14.8-167.3-80.7148.9000116.3
292A38.4Very low43.5Very low89 Ų8989.9 Ų89.974%0.73661%0.61SS**SBendtrans-82.1-25.1-177.700000114.3
293A41.8Very low44.8Very low84 Ų8490 Ų9069%0.69461%0.605SS**SBendtrans-80.6-14.4-177.200000113.9
294G45.7Very low46.4Very low44 Ų4486 Ų8645%0.45458%0.58SS.*Hα-helixtrans-76-39.1-173.900000114.8F296 S297 E298G294-F296 PolarHBondContact O-N 2.83Å; G294-S297 PolarHBondContact O-N 2.78Å; G294-E298 PolarHBondContact O-N 2.67Å
295G55.8Low48.8Very low19 Ų1983.2 Ų83.220%0.19657%0.567CS.*Hα-helixtrans-67.5-34.6-169.900000114.8L299G295-L299 PolarHBondContact O-N 2.76Å
296F57.1Low51.4Low43 Ų4381 Ų8119%0.18954%0.543CS..Hα-helixtrans-77.7-26.8-180-66.3-80000113.2G294 R300 L343 I356 L361G294-F296 PolarHBondContact O-N 2.83Å; F296-R300 WeakPolarHBondContact O-CG 3.44Å; F296-L343 HydrophobicContact CD1-CD1 3.99Å; F296-L343 HydrophobicContact CE1-CD1 4Å; F296-I356 HydrophobicContact CD1-CG2 3.88Å; F296-I356 HydrophobicContact CD2-CG2 4.48Å; F296-I356 HydrophobicContact CE1-CG2 3.71Å; F296-I356 HydrophobicContact CE2-CG2 4.35Å; F296-I356 HydrophobicContact CG-CG2 4.26Å; F296-I356 HydrophobicContact CZ-CG2 3.96Å; F296-L361 HydrophobicContact CB-CD1 4.46Å; F296-L361 HydrophobicContact CD1-CD1 3.41Å; F296-L361 VanDerWaalsContact CD1-CD1 3.41Å; F296-L361 HydrophobicContact CD1-CG 3.96Å; F296-L361 HydrophobicContact CD2-CD1 3.96Å; F296-L361 HydrophobicContact CE1-CD1 3.47Å; F296-L361 VanDerWaalsContact CE1-CD1 3.47Å; F296-L361 HydrophobicContact CE1-CD2 4.22Å; F296-L361 HydrophobicContact CE1-CG 3.47Å; F296-L361 VanDerWaalsContact CE1-CG 3.47Å; F296-L361 HydrophobicContact CE2-CD1 4Å; F296-L361 HydrophobicContact CE2-CG 4.28Å; F296-L361 HydrophobicContact CG-CD1 3.68Å; F296-L361 HydrophobicContact CZ-CB 4.42Å; F296-L361 HydrophobicContact CZ-CD1 3.77Å; F296-L361 HydrophobicContact CZ-CG 3.65Å
297S58.2Low53.8Low78 Ų7882 Ų8255%0.54553%0.525SS..Hα-helixtrans-69.9-35.7175.6-166.50000111.6G294 R300 S301G294-S297 PolarHBondContact O-N 2.78Å; S297-R300 PolarHBondContact O-N 3.04Å; S297-S301 PolarHBondContact O-N 3.25Å; S297-S301 PolarHBondContact O-OG 3.17Å
298E56.7Low56.7Low115 Ų11578.7 Ų78.754%0.53749%0.492SS..Hα-helixtrans-72-36.6179.8-147.4174.6-147.300112.4G294 R300 S301 S302 R306G294-E298 PolarHBondContact O-N 2.67Å; E298-R300 VanDerWaalsContact C-N 3.28Å; E298-R300 PolarHBondContact O-N 3.03Å; E298-S301 PolarHBondContact O-N 3.21Å; E298-S302 PolarHBondContact O-N 3.04Å; E298-S302 PolarHBondContact O-OG 3.22Å; E298-R306 IonicContact OE2-CZ 3.12Å; E298-R306 IonicContact OE2-NH1 2.77Å; E298-R306 IonicContact OE2-NH2 3.28Å; E298-R306 PolarHBondContact OE2-NH2 3.41Å
299L58.7Low59.1Low0 Ų077.4 Ų77.40%047%0.471CS..Hα-helixtrans-62.1-34.7174.3-165.275.1000112.4G295 S301 G304 R306 V332 L343G295-L299 PolarHBondContact O-N 2.76Å; L299-S301 VanDerWaalsContact C-N 3.35Å; L299-G304 WeakPolarHBondContact CD1-O 3.44Å; L299-R306 HydrophobicContact CD1-CB 3.78Å; L299-R306 HydrophobicContact CD1-CG 3.5Å; L299-R306 VanDerWaalsContact CD1-CG 3.5Å; L299-V332 HydrophobicContact CD2-CG2 4.31Å; L299-L343 HydrophobicContact CD2-CD1 4.1Å; L299-L343 HydrophobicContact CD2-CD2 3.91Å
300R58.8Low62.1Low105 Ų10571.9 Ų71.940%0.39643%0.432SS..Hα-helixtrans-74.2-25.2178.9-68.4178.4-171.8-176.55.1113.5F296 S297 E298 S340F296-R300 WeakPolarHBondContact O-CG 3.44Å; S297-R300 PolarHBondContact O-N 3.04Å; E298-R300 VanDerWaalsContact C-N 3.28Å; E298-R300 PolarHBondContact O-N 3.03Å; R300-S340 PolarHBondContact NH2-O 3.36Å
301S54.6Low64.7Low106 Ų10670.4 Ų70.474%0.74142%0.416SS*.Hα-helixtrans-87.5-17.7-178.4-57.50000112.9S297 E298 L299S297-S301 PolarHBondContact O-N 3.25Å; S297-S301 PolarHBondContact O-OG 3.17Å; E298-S301 PolarHBondContact O-N 3.21Å; L299-S301 VanDerWaalsContact C-N 3.35Å
302S53.4Low67.1Low71 Ų7169.7 Ų69.750%0.49740%0.403SS..Hα-helixtrans-113.9-2.7-168.150.80000115.3E298 G304E298-S302 PolarHBondContact O-N 3.04Å; E298-S302 PolarHBondContact O-OG 3.22Å; S302-G304 PolarHBondContact O-N 3.41Å
303N58.7Low69.5Low118 Ų11870.5 Ų70.563%0.63140%0.395SS*.THydrogen-bonded Turntrans48.124.6-172.9-86.913000113.5
304G67.9Low71.7Confident25 Ų2568.1 Ų68.126%0.25837%0.369SS..  trans-87.7157-177.300000112.3L299 S302L299-G304 WeakPolarHBondContact CD1-O 3.44Å; S302-G304 PolarHBondContact O-N 3.41Å
305S80.8Confident73.8Confident84 Ų8472.8 Ų72.859%0.58738%0.383SS*.EExtended strand (participates in β ladder)trans-95.4134.3166.360.60000110.2V332S305-V332 CarbonylContact C-O 3.44Å; S305-V332 VanDerWaalsContact CA-O 3.32Å; S305-V332 WeakPolarHBondContact CA-O 3.36Å
306R86.1Confident75.3Confident60 Ų6073.5 Ų73.523%0.22639%0.387CS..EExtended strand (participates in β ladder)trans-121.8158.1171.6-77.6-173.5-170.7-171.23.3110.6E298 L299 T331 V332 L361E298-R306 IonicContact OE2-CZ 3.12Å; E298-R306 IonicContact OE2-NH1 2.77Å; E298-R306 IonicContact OE2-NH2 3.28Å; E298-R306 PolarHBondContact OE2-NH2 3.41Å; L299-R306 HydrophobicContact CD1-CB 3.78Å; L299-R306 HydrophobicContact CD1-CG 3.5Å; L299-R306 VanDerWaalsContact CD1-CG 3.5Å; R306-T331 CarbonylContact O-C 3.35Å; R306-T331 WeakPolarHBondContact O-CA 3.39Å; R306-V332 PolarHBondContact N-O 3.05Å; R306-V332 WeakPolarHBondContact O-CG2 3.47Å; R306-V332 PolarHBondContact O-N 3.28Å; R306-L361 HydrophobicContact CB-CD2 3.79Å
307K89.2Confident76.1Confident133 Ų13375.5 Ų75.558%0.57841%0.412SS*.EExtended strand (participates in β ladder)trans-82.5141.7170.2-69.6-174178.6-177.10109.5V329 I330 L362K307-V329 HydrophobicContact CB-CG1 4.08Å; K307-V329 HydrophobicContact CD-CG1 4.25Å; K307-V329 HydrophobicContact CG-CG1 4.47Å; K307-I330 CarbonylContact C-O 3.55Å; K307-I330 WeakPolarHBondContact CA-O 3.44Å; K307-L362 HydrophobicContact CB-CB 4.41Å; K307-L362 PolarHBondContact O-N 2.62Å
308A90.6Very high77.2Confident0 Ų074.3 Ų74.30%040%0.404CS..EExtended strand (participates in β ladder)trans-132.7140.8173.900000109.8V329 I330 V332 L359 E360 L361A308-V329 CarbonylContact O-C 3.56Å; A308-V329 WeakPolarHBondContact O-CA 3.34Å; A308-I330 PolarHBondContact N-O 2.84Å; A308-I330 PolarHBondContact O-N 3.49Å; A308-V332 HydrophobicContact CB-CG1 4.04Å; A308-V332 HydrophobicContact CB-CG2 3.81Å; A308-L359 HydrophobicContact CB-CB 4.19Å; A308-L359 HydrophobicContact CB-CD2 4.2Å; A308-E360 CarbonylContact C-O 3.57Å; A308-E360 WeakPolarHBondContact CA-O 3.41Å; A308-L361 HydrophobicContact CB-CD2 4.36Å
309R91.8Very high78.4Confident82 Ų8275.1 Ų75.131%0.30942%0.422SS..EExtended strand (participates in β ladder)trans-87.9134.4168.9-174.9170.365.1113.1-5.6109.1D327 E328 L359 E360 L362R309-D327 IonicContact CZ-OD1 2.65Å; R309-D327 IonicContact NH1-OD1 3.62Å; R309-D327 PolarHBondContact NH1-OD1 2.79Å; R309-E328 WeakPolarHBondContact CA-O 3.31Å; R309-L359 WeakPolarHBondContact O-CA 3.41Å; R309-E360 IonicContact CZ-OE2 3.94Å; R309-E360 VanDerWaalsContact CZ-OE2 3.28Å; R309-E360 PolarHBondContact N-O 2.98Å; R309-E360 IonicContact NE-OE2 2.81Å; R309-E360 PolarHBondContact NE-OE2 2.95Å; R309-E360 VanDerWaalsContact NE-OE2 3.12Å; R309-E360 IonicContact NH2-OE2 2.78Å; R309-E360 PolarHBondContact NH2-OE2 3.18Å; R309-E360 PolarHBondContact O-N 3.01Å; R309-L362 HydrophobicContact CB-CD1 4.2Å; R309-L362 HydrophobicContact CB-CD2 4.11Å; R309-L362 HydrophobicContact CB-CG 4.21Å
310V91.6Very high79.7Confident0 Ų079.8 Ų79.80%045%0.447CS..EExtended strand (participates in β ladder)trans-78.8128.1176177.70000109.1Y312 L324 L325 D327 E328 I330 Y358 L359V310-Y312 WeakPolarHBondContact CG1-O 3.2Å; V310-L324 HydrophobicContact CB-CB 4.49Å; V310-L324 HydrophobicContact CG1-CB 3.67Å; V310-L324 HydrophobicContact CG1-CD1 4.16Å; V310-L324 HydrophobicContact CG2-CB 4.04Å; V310-L324 HydrophobicContact CG2-CD1 4.07Å; V310-L324 HydrophobicContact CG2-CD2 4.14Å; V310-L324 HydrophobicContact CG2-CG 4.32Å; V310-L325 VanDerWaalsContact CB-O 3.32Å; V310-L325 WeakPolarHBondContact CB-O 3.44Å; V310-L325 WeakPolarHBondContact CG1-O 3.34Å; V310-D327 WeakPolarHBondContact O-CA 3.28Å; V310-D327 PolarHBondContact O-N 3.14Å; V310-E328 HydrophobicContact CB-CG 4.13Å; V310-E328 HydrophobicContact CG2-CG 3.64Å; V310-E328 PolarHBondContact N-O 3.42Å; V310-I330 HydrophobicContact CG2-CD1 4.39Å; V310-I330 HydrophobicContact CG2-CG1 4.2Å; V310-I330 HydrophobicContact CG2-CG2 4.41Å; V310-Y358 WeakPolarHBondContact CA-O 3.47Å; V310-L359 HydrophobicContact CG2-CD2 3.89Å
311L87.1Confident81.2Confident62 Ų6276.5 Ų76.533%0.32544%0.436SS..  trans-86.9-30.1-178.7-65.4177.4000112.8Y358 E360L311-Y358 PolarHBondContact N-O 3.34Å; L311-E360 HydrophobicContact CD1-CB 4.39Å; L311-E360 HydrophobicContact CD2-CB 3.94Å; L311-E360 HydrophobicContact CG-CB 4.19Å
312Y85.9Confident82.8Confident145 Ų14571.7 Ų71.757%0.56940%0.402SS*.SBendtrans-146.1152.9-175.9-50.4-76.5000110.9V310 Y358V310-Y312 WeakPolarHBondContact CG1-O 3.2Å; Y312-Y358 HydrophobicContact CD2-CD1 4.31Å
313D89.1Confident84.6Confident107 Ų10770.4 Ų70.457%0.57239%0.393SS*.  trans-59.5139.4171.7-62.6-23.5000110.6L324 L325 A326 Y358D313-L324 WeakPolarHBondContact CA-O 3.48Å; D313-L325 WeakPolarHBondContact OD1-CA 3.49Å; D313-A326 WeakPolarHBondContact OD1-CB 3.42Å; D313-A326 PolarHBondContact OD1-N 3.41Å; D313-Y358 WeakPolarHBondContact O-CE1 3.34Å
314Y89Confident86.1Confident34 Ų3465 Ų6513%0.13336%0.364CS..BIsolated β-bridgetrans-136.9123.7177.6-179-99.6000110.1E321 L322 S323 L324 W342 P355 Y358Y314-E321 HydrophobicContact CE1-CB 4.48Å; Y314-E321 PolarHBondContact OH-OE2 2.9Å; Y314-L322 WeakPolarHBondContact CD1-O 3.44Å; Y314-S323 CarbonylContact O-C 3.6Å; Y314-S323 WeakPolarHBondContact O-CA 3.46Å; Y314-S323 WeakPolarHBondContact O-CB 3.44Å; Y314-L324 HydrophobicContact CD1-CG 4.47Å; Y314-L324 PolarHBondContact N-O 3.06Å; Y314-L324 PolarHBondContact O-N 2.99Å; Y314-W342 WeakPolarHBondContact OH-CH2 3.38Å; Y314-P355 HydrophobicContact CD2-CG 3.82Å; Y314-P355 HydrophobicContact CE2-CG 3.76Å; Y314-P355 HydrophobicContact CG-CG 4.31Å; Y314-Y358 HydrophobicContact CD2-CD1 4.33Å; Y314-Y358 HydrophobicContact CD2-CE1 4.19Å
315D88.4Confident87.1Confident141 Ų14168.7 Ų68.775%0.75438%0.377SS*.  trans-94.7123.8172.1-72.8-45.3000110.3A317D315-A317 PolarHBondContact O-N 3.46Å
316A87.2Confident87.3Confident34 Ų3466.6 Ų66.628%0.28137%0.365SS..  trans-57.9120.5176.900000111.2S318 E321 S323A316-S318 VanDerWaalsContact C-N 3.3Å; A316-E321 HydrophobicContact CB-CB 3.69Å; A316-E321 WeakPolarHBondContact CB-O 3.48Å; A316-S323 WeakPolarHBondContact CB-OG 3.42Å; A316-S323 PolarHBondContact N-OG 3.39Å
317A75.4Confident87.3Confident86 Ų8669.1 Ų69.171%0.71138%0.383SS*.SBendtrans-79.3-15.8179.700000112.7D315 E321D315-A317 PolarHBondContact O-N 3.46Å; A317-E321 WeakPolarHBondContact CB-OE2 3.47Å; A317-E321 PolarHBondContact N-OE2 2.82Å
318S79.8Confident87.3Confident53 Ų5364.6 Ų64.637%0.37136%0.364SS..SBendtrans-147162.9-179.366.50000111.4A316 N320 E321A316-S318 VanDerWaalsContact C-N 3.3Å; S318-N320 PolarHBondContact O-N 3.33Å; S318-E321 PolarHBondContact O-N 2.88Å; S318-E321 PolarHBondContact OG-OE1 3.15Å
319S82.3Confident87.3Confident132 Ų13268.3 Ų68.392%0.92339%0.387SS*.THydrogen-bonded Turntrans-63.4-8.1175.855.30000114.1
320N85.3Confident87.3Confident98 Ų9864.6 Ų64.652%0.52437%0.373SS..THydrogen-bonded Turntrans-97.4-0.8178.5-139.935000112.2S318 G352 K353S318-N320 PolarHBondContact O-N 3.33Å; N320-G352 WeakPolarHBondContact O-CA 3.35Å; N320-K353 WeakPolarHBondContact O-CG 3.35Å; N320-K353 PolarHBondContact O-N 3.01Å
321E91.2Very high87.3Confident36 Ų3666.7 Ų66.717%0.16839%0.386CS..BIsolated β-bridgetrans-110.3159179.5-70.9165.5-132.800111.1Y314 A316 A317 S318 W342 K353Y314-E321 HydrophobicContact CE1-CB 4.48Å; Y314-E321 PolarHBondContact OH-OE2 2.9Å; A316-E321 HydrophobicContact CB-CB 3.69Å; A316-E321 WeakPolarHBondContact CB-O 3.48Å; A317-E321 WeakPolarHBondContact CB-OE2 3.47Å; A317-E321 PolarHBondContact N-OE2 2.82Å; S318-E321 PolarHBondContact O-N 2.88Å; S318-E321 PolarHBondContact OG-OE1 3.15Å; E321-W342 HydrophobicContact CG-CH2 4.2Å; E321-W342 HydrophobicContact CG-CZ3 3.97Å; E321-K353 WeakPolarHBondContact CA-O 3.32Å; E321-K353 HydrophobicContact CG-CB 4.19Å
322L88.9Confident87.6Confident5 Ų563.8 Ų63.83%0.02637%0.37CS..  trans-114.6123.6179.7-176.868.5000110Y314 L324 R347 Q350 K353 V354Y314-L322 WeakPolarHBondContact CD1-O 3.44Å; L322-L324 HydrophobicContact CD2-CD2 4.29Å; L322-L324 HydrophobicContact CG-CD2 4.32Å; L322-R347 HydrophobicContact CD2-CB 4Å; L322-Q350 HydrophobicContact CD1-CB 3.6Å; L322-K353 PolarHBondContact N-O 3.01Å; L322-K353 VanDerWaalsContact N-O 3.14Å; L322-V354 HydrophobicContact CB-CG1 3.83Å; L322-V354 HydrophobicContact CD2-CG1 4.3Å
323S89.6Confident87.6Confident44 Ų4458.3 Ų58.331%0.30835%0.354SS..  trans-71.7133.7175.3-57.50000110.9Y314 A316 R347Y314-S323 CarbonylContact O-C 3.6Å; Y314-S323 WeakPolarHBondContact O-CA 3.46Å; Y314-S323 WeakPolarHBondContact O-CB 3.44Å; A316-S323 WeakPolarHBondContact CB-OG 3.42Å; A316-S323 PolarHBondContact N-OG 3.39Å; S323-R347 VanDerWaalsContact O-CZ 3.28Å; S323-R347 PolarHBondContact O-NH1 3.48Å; S323-R347 PolarHBondContact O-NH2 3.44Å
324L90.9Very high87.4Confident3 Ų354.6 Ų54.62%0.01634%0.336CS..BIsolated β-bridgetrans-114.2148.8-176.1-50.2176.3000112.5V310 D313 Y314 L322 E328 I330 V354 L359V310-L324 HydrophobicContact CB-CB 4.49Å; V310-L324 HydrophobicContact CG1-CB 3.67Å; V310-L324 HydrophobicContact CG1-CD1 4.16Å; V310-L324 HydrophobicContact CG2-CB 4.04Å; V310-L324 HydrophobicContact CG2-CD1 4.07Å; V310-L324 HydrophobicContact CG2-CD2 4.14Å; V310-L324 HydrophobicContact CG2-CG 4.32Å; D313-L324 WeakPolarHBondContact CA-O 3.48Å; Y314-L324 HydrophobicContact CD1-CG 4.47Å; Y314-L324 PolarHBondContact N-O 3.06Å; Y314-L324 PolarHBondContact O-N 2.99Å; L322-L324 HydrophobicContact CD2-CD2 4.29Å; L322-L324 HydrophobicContact CG-CD2 4.32Å; L324-E328 WeakPolarHBondContact CA-OE1 3.4Å; L324-I330 HydrophobicContact CD2-CD1 3.82Å; L324-I330 HydrophobicContact CD2-CG2 4.35Å; L324-V354 HydrophobicContact CD1-CB 4.06Å; L324-V354 HydrophobicContact CD1-CG1 3.94Å; L324-V354 HydrophobicContact CD2-CG1 3.78Å; L324-V354 HydrophobicContact CG-CG1 4.12Å; L324-L359 HydrophobicContact CD1-CD2 4.21Å
325L88.6Confident87Confident104 Ų10455.7 Ų55.755%0.54535%0.346SS..  trans-114.9136.2169.8-66.6171.9000109.6V310 D313 E328V310-L325 VanDerWaalsContact CB-O 3.32Å; V310-L325 WeakPolarHBondContact CB-O 3.44Å; V310-L325 WeakPolarHBondContact CG1-O 3.34Å; D313-L325 WeakPolarHBondContact OD1-CA 3.49Å; L325-E328 PolarHBondContact N-OE1 3.35Å; L325-E328 WeakPolarHBondContact O-CB 3.37Å; L325-E328 WeakPolarHBondContact O-CG 3.46Å; L325-E328 PolarHBondContact O-N 3.4Å; L325-E328 VanDerWaalsContact O-N 3.15Å
326A86Confident86.4Confident40 Ų4054 Ų5433%0.33134%0.343SS..THydrogen-bonded Turntrans-54.3143177.600000111.3D313 E328D313-A326 WeakPolarHBondContact OD1-CB 3.42Å; D313-A326 PolarHBondContact OD1-N 3.41Å; A326-E328 PolarHBondContact O-N 2.98Å; A326-E328 VanDerWaalsContact O-N 3.15Å
327D84.6Confident85.5Confident112 Ų11256.8 Ų56.860%0.59937%0.374SS*.THydrogen-bonded Turntrans63.52.9-175-67.4-45.8000116.4R309 V310R309-D327 IonicContact CZ-OD1 2.65Å; R309-D327 IonicContact NH1-OD1 3.62Å; R309-D327 PolarHBondContact NH1-OD1 2.79Å; V310-D327 WeakPolarHBondContact O-CA 3.28Å; V310-D327 PolarHBondContact O-N 3.14Å
328E90.5Very high85.6Confident38 Ų3854.4 Ų54.418%0.17835%0.349CS..  trans-74.715117192.1-177151.300111.5R309 V310 L324 L325 A326 I330 R347R309-E328 WeakPolarHBondContact CA-O 3.31Å; V310-E328 HydrophobicContact CB-CG 4.13Å; V310-E328 HydrophobicContact CG2-CG 3.64Å; V310-E328 PolarHBondContact N-O 3.42Å; L324-E328 WeakPolarHBondContact CA-OE1 3.4Å; L325-E328 PolarHBondContact N-OE1 3.35Å; L325-E328 WeakPolarHBondContact O-CB 3.37Å; L325-E328 WeakPolarHBondContact O-CG 3.46Å; L325-E328 PolarHBondContact O-N 3.4Å; L325-E328 VanDerWaalsContact O-N 3.15Å; A326-E328 PolarHBondContact O-N 2.98Å; A326-E328 VanDerWaalsContact O-N 3.15Å; E328-I330 HydrophobicContact CG-CG2 3.96Å; E328-R347 IonicContact OE1-NH1 3.11Å; E328-R347 PolarHBondContact OE1-NH1 3.19Å; E328-R347 VanDerWaalsContact OE1-NH1 3.11Å; E328-R347 WeakPolarHBondContact OE2-CD 3.44Å; E328-R347 IonicContact OE2-CZ 3.79Å; E328-R347 IonicContact OE2-NE 3.9Å; E328-R347 IonicContact OE2-NH1 2.87Å; E328-R347 PolarHBondContact OE2-NH1 3.39Å
329V90.9Very high85.5Confident79 Ų7956.8 Ų56.848%0.47936%0.357SS..EExtended strand (participates in β ladder)trans-108.5117.6178.3179.90000109.9K307 A308 L362K307-V329 HydrophobicContact CB-CG1 4.08Å; K307-V329 HydrophobicContact CD-CG1 4.25Å; K307-V329 HydrophobicContact CG-CG1 4.47Å; A308-V329 CarbonylContact O-C 3.56Å; A308-V329 WeakPolarHBondContact O-CA 3.34Å; V329-L362 HydrophobicContact CG1-CD1 3.81Å; V329-L362 HydrophobicContact CG2-CD1 3.95Å
330I91.1Very high85.3Confident3 Ų353.9 Ų53.92%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-114.9161.6179.362.3161.8000111.5K307 A308 V310 L324 E328 V332 R347 V354 L359K307-I330 CarbonylContact C-O 3.55Å; K307-I330 WeakPolarHBondContact CA-O 3.44Å; A308-I330 PolarHBondContact N-O 2.84Å; A308-I330 PolarHBondContact O-N 3.49Å; V310-I330 HydrophobicContact CG2-CD1 4.39Å; V310-I330 HydrophobicContact CG2-CG1 4.2Å; V310-I330 HydrophobicContact CG2-CG2 4.41Å; L324-I330 HydrophobicContact CD2-CD1 3.82Å; L324-I330 HydrophobicContact CD2-CG2 4.35Å; E328-I330 HydrophobicContact CG-CG2 3.96Å; I330-V332 HydrophobicContact CD1-CG1 3.67Å; I330-V332 HydrophobicContact CG1-CG1 3.94Å; I330-R347 HydrophobicContact CG2-CB 4.21Å; I330-R347 HydrophobicContact CG2-CG 4.49Å; I330-V354 HydrophobicContact CD1-CG1 4.24Å; I330-V354 HydrophobicContact CD1-CG2 4.2Å; I330-L359 HydrophobicContact CD1-CD2 3.81Å; I330-L359 HydrophobicContact CG1-CD2 4.18Å
331T91.6Very high85.3Confident45 Ų4554.3 Ų54.328%0.27634%0.339SS..EExtended strand (participates in β ladder)trans-94.3130.8171.5-57.60000109.1R306 G345 E346R306-T331 CarbonylContact O-C 3.35Å; R306-T331 WeakPolarHBondContact O-CA 3.39Å; T331-G345 CarbonylContact O-C 3.54Å; T331-G345 WeakPolarHBondContact O-CA 3.43Å; T331-E346 PolarHBondContact N-O 2.95Å; T331-E346 VanDerWaalsContact N-O 3.1Å; T331-E346 PolarHBondContact O-N 2.84Å
332V92.3Very high85.1Confident0 Ų055.7 Ų55.70%034%0.343CS..EExtended strand (participates in β ladder)trans-123.2140.9-178.1-62.60000111.5L299 S305 R306 A308 I330 L343 M344 V354 L359 L361L299-V332 HydrophobicContact CD2-CG2 4.31Å; S305-V332 CarbonylContact C-O 3.44Å; S305-V332 VanDerWaalsContact CA-O 3.32Å; S305-V332 WeakPolarHBondContact CA-O 3.36Å; R306-V332 PolarHBondContact N-O 3.05Å; R306-V332 WeakPolarHBondContact O-CG2 3.47Å; R306-V332 PolarHBondContact O-N 3.28Å; A308-V332 HydrophobicContact CB-CG1 4.04Å; A308-V332 HydrophobicContact CB-CG2 3.81Å; I330-V332 HydrophobicContact CD1-CG1 3.67Å; I330-V332 HydrophobicContact CG1-CG1 3.94Å; V332-L343 HydrophobicContact CB-CB 4.23Å; V332-L343 HydrophobicContact CB-CD1 4.1Å; V332-L343 HydrophobicContact CG2-CD1 4.06Å; V332-M344 CarbonylContact C-O 3.32Å; V332-M344 VanDerWaalsContact CA-O 3.3Å; V332-M344 WeakPolarHBondContact CA-O 3.46Å; V332-V354 HydrophobicContact CG1-CG2 4.19Å; V332-L359 HydrophobicContact CG1-CD1 3.85Å; V332-L361 HydrophobicContact CG2-CD2 3.79Å
333S87.9Confident85.2Confident31 Ų3155.5 Ų55.522%0.21734%0.342CS..EExtended strand (participates in β ladder)trans-139.6154.5179.158.50000111.4M344S333-M344 PolarHBondContact N-O 2.95Å; S333-M344 PolarHBondContact O-N 3.38Å
334S83.8Confident85.2Confident28 Ų2855.5 Ų55.520%0.19634%0.338CS..  trans-92.3129.6173.2-171.10000109.9
335V80.9Confident85.2Confident57 Ų5755.4 Ų55.435%0.34534%0.337SS..  trans-110.6134.1178.1-179.30000109.2G337 M338 M344V335-G337 PolarHBondContact O-N 3.05Å; V335-M338 HydrophobicContact CB-CB 4.49Å; V335-M338 HydrophobicContact CB-SD 4.23Å; V335-M338 WeakPolarHBondContact O-CB 3.36Å; V335-M338 PolarHBondContact O-N 3.07Å; V335-M344 HydrophobicContact CG2-CB 3.71Å; V335-M344 HydrophobicContact CG2-CE 4.22Å; V335-M344 HydrophobicContact CG2-CG 4.19Å
336P74.8Confident85.3Confident107 Ų10753.8 Ų53.870%0.69533%0.327SS*.THydrogen-bonded Turntrans-57.7130.8176.7-24.533.8000112.3
337G69.4Low85.3Confident91 Ų9155.4 Ų55.494%0.93833%0.325SS*.THydrogen-bonded Turntrans87.87.3-178.800000115.2V335V335-G337 PolarHBondContact O-N 3.05Å
338M76.3Confident85.2Confident36 Ų3652.9 Ų52.918%0.17733%0.325CS..  trans-90.1145.7176.3-165.1149.5168.800111.8V335 W342 L343 M344 K353V335-M338 HydrophobicContact CB-CB 4.49Å; V335-M338 HydrophobicContact CB-SD 4.23Å; V335-M338 WeakPolarHBondContact O-CB 3.36Å; V335-M338 PolarHBondContact O-N 3.07Å; M338-W342 HydrophobicContact CE-CB 3.53Å; M338-W342 HydrophobicContact CG-CB 4.23Å; M338-L343 WeakPolarHBondContact CE-O 3.42Å; M338-M344 HydrophobicContact SD-CB 4.46Å; M338-M344 HydrophobicContact SD-CE 4.26Å; M338-K353 HydrophobicContact CE-CB 3.72Å; M338-K353 HydrophobicContact CE-CD 3.96Å; M338-K353 HydrophobicContact CE-CG 3.49Å; M338-K353 VanDerWaalsContact CE-CG 3.49Å; M338-K353 HydrophobicContact SD-CG 4.45Å
339D78.4Confident84.8Confident103 Ų10359.3 Ų59.355%0.55136%0.361SS*.  trans-61.9150.1-178.6-65.5-51.7000112.6D341 W342D339-D341 PolarHBondContact O-N 3.14Å; D339-W342 PolarHBondContact O-N 2.85Å; D339-W342 VanDerWaalsContact O-N 3.15Å
340S77.4Confident84.5Confident71 Ų7160.7 Ų60.750%0.49736%0.362SS..THydrogen-bonded Turntrans-63.2-10.7-175.362.50000115R300 I356R300-S340 PolarHBondContact NH2-O 3.36Å; S340-I356 WeakPolarHBondContact O-CD1 3.48Å
341D86Confident84.4Confident107 Ų10766.5 Ų66.557%0.57239%0.387SS*.THydrogen-bonded Turntrans-108.22.6-174.3-57.2-15.1000111.5D339 I356D339-D341 PolarHBondContact O-N 3.14Å; D341-I356 PolarHBondContact O-N 3.26Å
342W88.2Confident84.3Confident65 Ų6564.5 Ų64.525%0.24638%0.375CS..EExtended strand (participates in β ladder)trans-126.2147.6-174-64.881.7000112.5Y314 E321 M338 D339 K353 V354Y314-W342 WeakPolarHBondContact OH-CH2 3.38Å; E321-W342 HydrophobicContact CG-CH2 4.2Å; E321-W342 HydrophobicContact CG-CZ3 3.97Å; M338-W342 HydrophobicContact CE-CB 3.53Å; M338-W342 HydrophobicContact CG-CB 4.23Å; D339-W342 PolarHBondContact O-N 2.85Å; D339-W342 VanDerWaalsContact O-N 3.15Å; W342-K353 HydrophobicContact CD2-CB 4.38Å; W342-K353 HydrophobicContact CE3-CB 3.52Å; W342-K353 HydrophobicContact CZ3-CB 3.88Å; W342-V354 WeakPolarHBondContact CA-O 3.35Å
343L89.1Confident84.3Confident1 Ų167.2 Ų67.21%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-124.5158.2167.4-71171.1000110.5F296 L299 V332 M338 G345 K353 V354 I356 L359F296-L343 HydrophobicContact CD1-CD1 3.99Å; F296-L343 HydrophobicContact CE1-CD1 4Å; L299-L343 HydrophobicContact CD2-CD1 4.1Å; L299-L343 HydrophobicContact CD2-CD2 3.91Å; V332-L343 HydrophobicContact CB-CB 4.23Å; V332-L343 HydrophobicContact CB-CD1 4.1Å; V332-L343 HydrophobicContact CG2-CD1 4.06Å; M338-L343 WeakPolarHBondContact CE-O 3.42Å; L343-G345 PolarHBondContact O-N 3.44Å; L343-K353 CarbonylContact O-C 3.59Å; L343-K353 WeakPolarHBondContact O-CA 3.34Å; L343-V354 HydrophobicContact CB-CG2 4.18Å; L343-V354 PolarHBondContact N-O 2.98Å; L343-V354 VanDerWaalsContact O-CG2 3.26Å; L343-V354 WeakPolarHBondContact O-CG2 3.24Å; L343-V354 PolarHBondContact O-N 3.43Å; L343-I356 HydrophobicContact CB-CG1 4.48Å; L343-I356 HydrophobicContact CD1-CD1 4.36Å; L343-I356 HydrophobicContact CD1-CG1 3.84Å; L343-I356 HydrophobicContact CD2-CD1 4.48Å; L343-I356 HydrophobicContact CG-CD1 3.96Å; L343-I356 HydrophobicContact CG-CG1 3.65Å; L343-L359 HydrophobicContact CD1-CD1 4.42Å
344M90.1Very high84.4Confident45 Ų4565.8 Ų65.822%0.22238%0.377CS..EExtended strand (participates in β ladder)trans-85.2109.9171.9-174.964.565.400108.4V332 S333 V335 M338V332-M344 CarbonylContact C-O 3.32Å; V332-M344 VanDerWaalsContact CA-O 3.3Å; V332-M344 WeakPolarHBondContact CA-O 3.46Å; S333-M344 PolarHBondContact N-O 2.95Å; S333-M344 PolarHBondContact O-N 3.38Å; V335-M344 HydrophobicContact CG2-CB 3.71Å; V335-M344 HydrophobicContact CG2-CE 4.22Å; V335-M344 HydrophobicContact CG2-CG 4.19Å; M338-M344 HydrophobicContact SD-CB 4.46Å; M338-M344 HydrophobicContact SD-CE 4.26Å
345G91.1Very high84.7Confident0 Ų065 Ų650%037%0.371CS..EExtended strand (participates in β ladder)trans-90.4141.1177.200000111.3T331 L343 K351 G352T331-G345 CarbonylContact O-C 3.54Å; T331-G345 WeakPolarHBondContact O-CA 3.43Å; L343-G345 PolarHBondContact O-N 3.44Å; G345-K351 VanDerWaalsContact O-CA 3.29Å; G345-K351 WeakPolarHBondContact O-CA 3.48Å; G345-G352 PolarHBondContact N-O 3.23Å; G345-G352 PolarHBondContact O-N 3.35Å
346E90.2Very high85Confident71 Ų7163.4 Ų63.433%0.33236%0.361SS..EExtended strand (participates in β ladder)trans-129117.4177.7178166-169.800109.5T331 Q350 K351T331-E346 PolarHBondContact N-O 2.95Å; T331-E346 VanDerWaalsContact N-O 3.1Å; T331-E346 PolarHBondContact O-N 2.84Å; E346-Q350 WeakPolarHBondContact CA-O 3.45Å; E346-K351 HydrophobicContact CB-CG 4.15Å; E346-K351 HydrophobicContact CG-CD 4.41Å; E346-K351 HydrophobicContact CG-CG 3.98Å; E346-K351 WeakPolarHBondContact OE1-CE 3.37Å; E346-K351 IonicContact OE1-NZ 2.76Å; E346-K351 PolarHBondContact OE1-NZ 3.45Å; E346-K351 WeakPolarHBondContact OE2-CE 3.48Å; E346-K351 IonicContact OE2-NZ 2.69Å; E346-K351 PolarHBondContact OE2-NZ 2.66Å
347R87.5Confident85.7Confident73 Ų7363.5 Ų63.528%0.27536%0.36SS..EExtended strand (participates in β ladder)trans-122.296.5174.6-174.3176.967.1-160.7-9.7108.8L322 S323 E328 I330 N349 Q350L322-R347 HydrophobicContact CD2-CB 4Å; S323-R347 VanDerWaalsContact O-CZ 3.28Å; S323-R347 PolarHBondContact O-NH1 3.48Å; S323-R347 PolarHBondContact O-NH2 3.44Å; E328-R347 IonicContact OE1-NH1 3.11Å; E328-R347 PolarHBondContact OE1-NH1 3.19Å; E328-R347 VanDerWaalsContact OE1-NH1 3.11Å; E328-R347 WeakPolarHBondContact OE2-CD 3.44Å; E328-R347 IonicContact OE2-CZ 3.79Å; E328-R347 IonicContact OE2-NE 3.9Å; E328-R347 IonicContact OE2-NH1 2.87Å; E328-R347 PolarHBondContact OE2-NH1 3.39Å; I330-R347 HydrophobicContact CG2-CB 4.21Å; I330-R347 HydrophobicContact CG2-CG 4.49Å; R347-N349 PolarHBondContact O-N 2.9Å; R347-Q350 PolarHBondContact N-O 3.07Å; R347-Q350 PolarHBondContact O-N 3.44Å
348G81.6Confident86.6Confident60 Ų6063 Ų6362%0.61933%0.33SS*.THydrogen-bonded Turntrans61.1-117.2-17500000111.3
349N82.1Confident87.1Confident173 Ų17361.7 Ų61.793%0.92532%0.323SS*.THydrogen-bonded Turntrans-89.6-2.7178.4-68.1-14.2000113.8R347R347-N349 PolarHBondContact O-N 2.9Å
350Q84.8Confident87.6Confident108 Ų10860.7 Ų60.751%0.50532%0.315SS..EExtended strand (participates in β ladder)trans-97.4131.6-179.5-62.1176.79.700109.8L322 E346 R347L322-Q350 HydrophobicContact CD1-CB 3.6Å; E346-Q350 WeakPolarHBondContact CA-O 3.45Å; R347-Q350 PolarHBondContact N-O 3.07Å; R347-Q350 PolarHBondContact O-N 3.44Å
351K90Very high88Confident125 Ų12558.4 Ų58.454%0.54330%0.298SS..EExtended strand (participates in β ladder)trans-128.8140.4175.5-60.9-173-167.3-134.10109.2G345 E346G345-K351 VanDerWaalsContact O-CA 3.29Å; G345-K351 WeakPolarHBondContact O-CA 3.48Å; E346-K351 HydrophobicContact CB-CG 4.15Å; E346-K351 HydrophobicContact CG-CD 4.41Å; E346-K351 HydrophobicContact CG-CG 3.98Å; E346-K351 WeakPolarHBondContact OE1-CE 3.37Å; E346-K351 IonicContact OE1-NZ 2.76Å; E346-K351 PolarHBondContact OE1-NZ 3.45Å; E346-K351 WeakPolarHBondContact OE2-CE 3.48Å; E346-K351 IonicContact OE2-NZ 2.69Å; E346-K351 PolarHBondContact OE2-NZ 2.66Å
352G89.3Confident87.7Confident2 Ų256.4 Ų56.42%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-172.6166.1178.400000111.7N320 G345N320-G352 WeakPolarHBondContact O-CA 3.35Å; G345-G352 PolarHBondContact N-O 3.23Å; G345-G352 PolarHBondContact O-N 3.35Å
353K91.3Very high86.4Confident58 Ų5863.3 Ų63.325%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-68.1136.8175.8-55.6-173.5176.6-1770110.2N320 E321 L322 M338 W342 L343N320-K353 WeakPolarHBondContact O-CG 3.35Å; N320-K353 PolarHBondContact O-N 3.01Å; E321-K353 WeakPolarHBondContact CA-O 3.32Å; E321-K353 HydrophobicContact CG-CB 4.19Å; L322-K353 PolarHBondContact N-O 3.01Å; L322-K353 VanDerWaalsContact N-O 3.14Å; M338-K353 HydrophobicContact CE-CB 3.72Å; M338-K353 HydrophobicContact CE-CD 3.96Å; M338-K353 HydrophobicContact CE-CG 3.49Å; M338-K353 VanDerWaalsContact CE-CG 3.49Å; M338-K353 HydrophobicContact SD-CG 4.45Å; W342-K353 HydrophobicContact CD2-CB 4.38Å; W342-K353 HydrophobicContact CE3-CB 3.52Å; W342-K353 HydrophobicContact CZ3-CB 3.88Å; L343-K353 CarbonylContact O-C 3.59Å; L343-K353 WeakPolarHBondContact O-CA 3.34Å
354V91.1Very high86.3Confident0 Ų066.4 Ų66.40%034%0.344CS..EExtended strand (participates in β ladder)trans-130.9138.2177.3-65.70000110.1L322 L324 I330 V332 W342 L343 L359L322-V354 HydrophobicContact CB-CG1 3.83Å; L322-V354 HydrophobicContact CD2-CG1 4.3Å; L324-V354 HydrophobicContact CD1-CB 4.06Å; L324-V354 HydrophobicContact CD1-CG1 3.94Å; L324-V354 HydrophobicContact CD2-CG1 3.78Å; L324-V354 HydrophobicContact CG-CG1 4.12Å; I330-V354 HydrophobicContact CD1-CG1 4.24Å; I330-V354 HydrophobicContact CD1-CG2 4.2Å; V332-V354 HydrophobicContact CG1-CG2 4.19Å; W342-V354 WeakPolarHBondContact CA-O 3.35Å; L343-V354 HydrophobicContact CB-CG2 4.18Å; L343-V354 PolarHBondContact N-O 2.98Å; L343-V354 VanDerWaalsContact O-CG2 3.26Å; L343-V354 WeakPolarHBondContact O-CG2 3.24Å; L343-V354 PolarHBondContact O-N 3.43Å; V354-L359 HydrophobicContact CB-CD1 4.32Å; V354-L359 HydrophobicContact CG2-CD1 3.67Å
355P88.6Confident86.1Confident12 Ų1267.5 Ų67.58%0.07835%0.351CS..EExtended strand (participates in β ladder)trans-74.5134.6-179.326.7-31.1000111.6Y314 T357 Y358Y314-P355 HydrophobicContact CD2-CG 3.82Å; Y314-P355 HydrophobicContact CE2-CG 3.76Å; Y314-P355 HydrophobicContact CG-CG 4.31Å; P355-T357 PolarHBondContact O-N 3.08Å; P355-Y358 HydrophobicContact CB-CD2 3.99Å; P355-Y358 HydrophobicContact CG-CD2 3.55Å; P355-Y358 HydrophobicContact CG-CE2 4.22Å; P355-Y358 HydrophobicContact CG-CG 3.88Å; P355-Y358 PolarHBondContact O-N 3.38Å
356I88.6Confident85.8Confident24 Ų2471.3 Ų71.312%0.12337%0.37CS..G310 helixtrans-62.1-33.5-178.5-67.5172.6000111.8F296 S340 D341 L343 Y358 L359F296-I356 HydrophobicContact CD1-CG2 3.88Å; F296-I356 HydrophobicContact CD2-CG2 4.48Å; F296-I356 HydrophobicContact CE1-CG2 3.71Å; F296-I356 HydrophobicContact CE2-CG2 4.35Å; F296-I356 HydrophobicContact CG-CG2 4.26Å; F296-I356 HydrophobicContact CZ-CG2 3.96Å; S340-I356 WeakPolarHBondContact O-CD1 3.48Å; D341-I356 PolarHBondContact O-N 3.26Å; L343-I356 HydrophobicContact CB-CG1 4.48Å; L343-I356 HydrophobicContact CD1-CD1 4.36Å; L343-I356 HydrophobicContact CD1-CG1 3.84Å; L343-I356 HydrophobicContact CD2-CD1 4.48Å; L343-I356 HydrophobicContact CG-CD1 3.96Å; L343-I356 HydrophobicContact CG-CG1 3.65Å; I356-Y358 PolarHBondContact O-N 3.09Å; I356-Y358 VanDerWaalsContact O-N 3.09Å; I356-L359 PolarHBondContact O-N 2.91Å; I356-L359 VanDerWaalsContact O-N 3.07Å
357T89.6Confident85.6Confident109 Ų10971.3 Ų71.367%0.66937%0.372SS*.G310 helixtrans-64.9-13.7-178.851.10000113.8P355P355-T357 PolarHBondContact O-N 3.08Å
358Y86.8Confident85.5Confident80 Ų8071.2 Ų71.231%0.31438%0.379SS..G310 helixtrans-1006.3179.4-74.8-116.6000112.1V310 L311 Y312 D313 Y314 P355 I356V310-Y358 WeakPolarHBondContact CA-O 3.47Å; L311-Y358 PolarHBondContact N-O 3.34Å; Y312-Y358 HydrophobicContact CD2-CD1 4.31Å; D313-Y358 WeakPolarHBondContact O-CE1 3.34Å; Y314-Y358 HydrophobicContact CD2-CD1 4.33Å; Y314-Y358 HydrophobicContact CD2-CE1 4.19Å; P355-Y358 HydrophobicContact CB-CD2 3.99Å; P355-Y358 HydrophobicContact CG-CD2 3.55Å; P355-Y358 HydrophobicContact CG-CE2 4.22Å; P355-Y358 HydrophobicContact CG-CG 3.88Å; P355-Y358 PolarHBondContact O-N 3.38Å; I356-Y358 PolarHBondContact O-N 3.09Å; I356-Y358 VanDerWaalsContact O-N 3.09Å
359L87.6Confident85.7Confident8 Ų871.9 Ų71.94%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-128140.4-169.9-61.8172.9000112A308 R309 V310 L324 I330 V332 L343 V354 I356A308-L359 HydrophobicContact CB-CB 4.19Å; A308-L359 HydrophobicContact CB-CD2 4.2Å; R309-L359 WeakPolarHBondContact O-CA 3.41Å; V310-L359 HydrophobicContact CG2-CD2 3.89Å; L324-L359 HydrophobicContact CD1-CD2 4.21Å; I330-L359 HydrophobicContact CD1-CD2 3.81Å; I330-L359 HydrophobicContact CG1-CD2 4.18Å; V332-L359 HydrophobicContact CG1-CD1 3.85Å; L343-L359 HydrophobicContact CD1-CD1 4.42Å; V354-L359 HydrophobicContact CB-CD1 4.32Å; V354-L359 HydrophobicContact CG2-CD1 3.67Å; I356-L359 PolarHBondContact O-N 2.91Å; I356-L359 VanDerWaalsContact O-N 3.07Å
360E89.1Confident86Confident82 Ų8264.7 Ų64.738%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-114.7118.7167.1-178.3-176.1-146.100108.8A308 R309 L311 L362A308-E360 CarbonylContact C-O 3.57Å; A308-E360 WeakPolarHBondContact CA-O 3.41Å; R309-E360 IonicContact CZ-OE2 3.94Å; R309-E360 VanDerWaalsContact CZ-OE2 3.28Å; R309-E360 PolarHBondContact N-O 2.98Å; R309-E360 IonicContact NE-OE2 2.81Å; R309-E360 PolarHBondContact NE-OE2 2.95Å; R309-E360 VanDerWaalsContact NE-OE2 3.12Å; R309-E360 IonicContact NH2-OE2 2.78Å; R309-E360 PolarHBondContact NH2-OE2 3.18Å; R309-E360 PolarHBondContact O-N 3.01Å; L311-E360 HydrophobicContact CD1-CB 4.39Å; L311-E360 HydrophobicContact CD2-CB 3.94Å; L311-E360 HydrophobicContact CG-CB 4.19Å; E360-L362 PolarHBondContact O-N 3.37Å
361L85.1Confident86.1Confident24 Ų2461.4 Ų61.413%0.12631%0.308CS..EExtended strand (participates in β ladder)trans-67.1127.4176.6-77168.5000110.3F296 R306 A308 V332F296-L361 HydrophobicContact CB-CD1 4.46Å; F296-L361 HydrophobicContact CD1-CD1 3.41Å; F296-L361 VanDerWaalsContact CD1-CD1 3.41Å; F296-L361 HydrophobicContact CD1-CG 3.96Å; F296-L361 HydrophobicContact CD2-CD1 3.96Å; F296-L361 HydrophobicContact CE1-CD1 3.47Å; F296-L361 VanDerWaalsContact CE1-CD1 3.47Å; F296-L361 HydrophobicContact CE1-CD2 4.22Å; F296-L361 HydrophobicContact CE1-CG 3.47Å; F296-L361 VanDerWaalsContact CE1-CG 3.47Å; F296-L361 HydrophobicContact CE2-CD1 4Å; F296-L361 HydrophobicContact CE2-CG 4.28Å; F296-L361 HydrophobicContact CG-CD1 3.68Å; F296-L361 HydrophobicContact CZ-CB 4.42Å; F296-L361 HydrophobicContact CZ-CD1 3.77Å; F296-L361 HydrophobicContact CZ-CG 3.65Å; R306-L361 HydrophobicContact CB-CD2 3.79Å; A308-L361 HydrophobicContact CB-CD2 4.36Å; V332-L361 HydrophobicContact CG2-CD2 3.79Å
362L79.6Confident85.7Confident64 Ų6456.1 Ų56.134%0.33529%0.289SS..EExtended strand (participates in β ladder)trans-89.6123.1171-59.2175.7000107.6K307 R309 V329 E360K307-L362 HydrophobicContact CB-CB 4.41Å; K307-L362 PolarHBondContact O-N 2.62Å; R309-L362 HydrophobicContact CB-CD1 4.2Å; R309-L362 HydrophobicContact CB-CD2 4.11Å; R309-L362 HydrophobicContact CB-CG 4.21Å; V329-L362 HydrophobicContact CG1-CD1 3.81Å; V329-L362 HydrophobicContact CG2-CD1 3.95Å; E360-L362 PolarHBondContact O-N 3.37Å
363N62.3Low85.4Confident210 Ų21061 Ų61100%1.12331%0.313SS*.  trans-71.50176.1-83.9-13.2000112.3

Retrieved 363 of 363 residues in 315.7 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).