A0A077ZAY6_TRITR Loading...

YjcZ domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M40.2Very low48.1Very low133 Ų133100.2 Ų100.266%0.65549%0.487SS*.  0-48.90-164.7-175.5-76.400112.1E3 L4 L5M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 2.96Å; M1-L4 PolarHBondContact O-N 3.46Å; M1-L5 HydrophobicContact CG-CD1 3.63Å; M1-L5 HydrophobicContact CG-CG 4.02Å; M1-L5 VanDerWaalsContact O-CG 3.32Å; M1-L5 WeakPolarHBondContact O-CG 3.32Å; M1-L5 PolarHBondContact O-N 3Å; M1-L5 HydrophobicContact SD-CD1 4.07Å
2Q43.1Very low48.4Very low147 Ų147100.3 Ų100.369%0.68750%0.498SS*.Hα-helixtrans-53.2-38.1-180-74.5-178.3-13.400114.6L5 A6 Q11Q2-L5 PolarHBondContact O-N 3.08Å; Q2-A6 WeakPolarHBondContact O-CB 3.4Å; Q2-A6 PolarHBondContact O-N 3.45Å; Q2-Q11 PolarHBondContact O-NE2 2.96Å
3E44Very low48.8Very low128 Ų12899.7 Ų99.760%0.59849%0.487SS*.Hα-helixtrans-71.9-41.3-179.1-147.1-168.8151.900113M1 A6 R7M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 2.96Å; E3-A6 PolarHBondContact O-N 3Å; E3-R7 WeakPolarHBondContact O-CB 3.38Å; E3-R7 VanDerWaalsContact O-CG 3.27Å; E3-R7 WeakPolarHBondContact O-CG 3.46Å; E3-R7 PolarHBondContact O-N 3.44Å; E3-R7 IonicContact OE1-CZ 2.74Å; E3-R7 IonicContact OE1-NE 3.07Å; E3-R7 IonicContact OE1-NH2 2.76Å; E3-R7 PolarHBondContact OE1-NH2 3.29Å
4L44Very low49.3Very low117 Ų11795.9 Ų95.961%0.61347%0.473SS*.Hα-helixtrans-63.6-43.5171.6-85.7162000110.9M1 A6 R7 V8M1-L4 PolarHBondContact O-N 3.46Å; L4-A6 VanDerWaalsContact C-N 3.34Å; L4-A6 PolarHBondContact O-N 3.22Å; L4-R7 PolarHBondContact O-N 3.01Å; L4-V8 WeakPolarHBondContact O-CG2 3.45Å; L4-V8 PolarHBondContact O-N 2.65Å
5L43.6Very low49.8Very low26 Ų2698.3 Ų98.314%0.13649%0.488CS..Hα-helixtrans-66.1-36.1176.6-66.7175.2000112.1M1 Q2 Q9 L10 Q11 T14M1-L5 HydrophobicContact CG-CD1 3.63Å; M1-L5 HydrophobicContact CG-CG 4.02Å; M1-L5 VanDerWaalsContact O-CG 3.32Å; M1-L5 WeakPolarHBondContact O-CG 3.32Å; M1-L5 PolarHBondContact O-N 3Å; M1-L5 HydrophobicContact SD-CD1 4.07Å; Q2-L5 PolarHBondContact O-N 3.08Å; L5-Q9 CarbonylContact O-C 3.6Å; L5-Q9 PolarHBondContact O-N 3.29Å; L5-L10 HydrophobicContact CB-CB 4.38Å; L5-L10 HydrophobicContact CD2-CB 3.59Å; L5-L10 HydrophobicContact CD2-CD1 4.23Å; L5-L10 PolarHBondContact O-N 3.39Å; L5-Q11 HydrophobicContact CB-CG 3.76Å; L5-T14 HydrophobicContact CD1-CG2 3.89Å; L5-T14 HydrophobicContact CD2-CG2 3.59Å; L5-T14 HydrophobicContact CG-CG2 4.4Å
6A51.3Low50.3Low53 Ų5395.8 Ų95.844%0.43850%0.495SS..Hα-helixtrans-66-44.8175.500000111.1Q2 E3 L4 V8 Q9Q2-A6 WeakPolarHBondContact O-CB 3.4Å; Q2-A6 PolarHBondContact O-N 3.45Å; E3-A6 PolarHBondContact O-N 3Å; L4-A6 VanDerWaalsContact C-N 3.34Å; L4-A6 PolarHBondContact O-N 3.22Å; A6-V8 VanDerWaalsContact C-N 3.25Å; A6-V8 PolarHBondContact O-N 2.78Å; A6-Q9 PolarHBondContact O-N 3.01Å; A6-Q9 VanDerWaalsContact O-N 3.15Å
7R49.4Very low51.1Low190 Ų19092.4 Ų92.472%0.71749%0.488SS*.Hα-helixtrans-62.3-29.2179.2-73.9176.3-170.7-151.25.8113.5E3 L4E3-R7 WeakPolarHBondContact O-CB 3.38Å; E3-R7 VanDerWaalsContact O-CG 3.27Å; E3-R7 WeakPolarHBondContact O-CG 3.46Å; E3-R7 PolarHBondContact O-N 3.44Å; E3-R7 IonicContact OE1-CZ 2.74Å; E3-R7 IonicContact OE1-NE 3.07Å; E3-R7 IonicContact OE1-NH2 2.76Å; E3-R7 PolarHBondContact OE1-NH2 3.29Å; L4-R7 PolarHBondContact O-N 3.01Å
8V52.5Low51.8Low41 Ų4189.4 Ų89.425%0.24847%0.472CS..THydrogen-bonded Turntrans-99.94.4179.7-165.80000112.1L4 A6 L10 L33 L37L4-V8 WeakPolarHBondContact O-CG2 3.45Å; L4-V8 PolarHBondContact O-N 2.65Å; A6-V8 VanDerWaalsContact C-N 3.25Å; A6-V8 PolarHBondContact O-N 2.78Å; V8-L10 HydrophobicContact CB-CB 4.22Å; V8-L10 HydrophobicContact CB-CD1 3.76Å; V8-L10 HydrophobicContact CB-CG 3.76Å; V8-L10 HydrophobicContact CG1-CD1 3.63Å; V8-L10 HydrophobicContact CG1-CG 3.61Å; V8-L10 HydrophobicContact CG2-CD1 4.37Å; V8-L10 PolarHBondContact O-N 3.09Å; V8-L33 HydrophobicContact CG1-CD2 4.36Å; V8-L37 HydrophobicContact CG1-CD1 4.04Å; V8-L37 HydrophobicContact CG1-CD2 4.2Å; V8-L37 HydrophobicContact CG1-CG 4.43Å
9Q54.9Low52.6Low159 Ų15991.2 Ų91.274%0.74348%0.481SS*.THydrogen-bonded Turntrans50.826.9-168.8-59.3-173.1-24.700112.8L5 A6 Q11 T12L5-Q9 CarbonylContact O-C 3.6Å; L5-Q9 PolarHBondContact O-N 3.29Å; A6-Q9 PolarHBondContact O-N 3.01Å; A6-Q9 VanDerWaalsContact O-N 3.15Å; Q9-Q11 VanDerWaalsContact C-N 3.28Å; Q9-Q11 PolarHBondContact O-N 3.31Å; Q9-T12 PolarHBondContact O-OG1 3.3Å
10L52.3Low53.7Low28 Ų2894.4 Ų94.415%0.14750%0.498CS..THydrogen-bonded Turntrans-77.4-12.9-177.5-89.1176000113.2L5 V8 T12 W13 T14 L33L5-L10 HydrophobicContact CB-CB 4.38Å; L5-L10 HydrophobicContact CD2-CB 3.59Å; L5-L10 HydrophobicContact CD2-CD1 4.23Å; L5-L10 PolarHBondContact O-N 3.39Å; V8-L10 HydrophobicContact CB-CB 4.22Å; V8-L10 HydrophobicContact CB-CD1 3.76Å; V8-L10 HydrophobicContact CB-CG 3.76Å; V8-L10 HydrophobicContact CG1-CD1 3.63Å; V8-L10 HydrophobicContact CG1-CG 3.61Å; V8-L10 HydrophobicContact CG2-CD1 4.37Å; V8-L10 PolarHBondContact O-N 3.09Å; L10-T12 PolarHBondContact O-N 2.89Å; L10-W13 HydrophobicContact CD2-CB 4.04Å; L10-W13 HydrophobicContact CD2-CG 3.97Å; L10-W13 WeakPolarHBondContact O-CA 3.29Å; L10-W13 WeakPolarHBondContact O-CB 3.37Å; L10-W13 PolarHBondContact O-N 3.32Å; L10-T14 PolarHBondContact O-N 3Å; L10-T14 PolarHBondContact O-OG1 3.17Å; L10-L33 HydrophobicContact CD1-CD2 4.07Å; L10-L33 HydrophobicContact CD2-CD1 4.07Å; L10-L33 HydrophobicContact CD2-CD2 3.39Å; L10-L33 HydrophobicContact CD2-CG 4.27Å; L10-L33 HydrophobicContact CG-CD2 3.98Å
11Q53.4Low55Low80 Ų8090.7 Ų90.737%0.37448%0.481SS..Hα-helixtrans-56.4-37.7-177.8-70.8-172.4-8.100112.6Q2 L5 Q9 W13 T14 N15Q2-Q11 PolarHBondContact O-NE2 2.96Å; L5-Q11 HydrophobicContact CB-CG 3.76Å; Q9-Q11 VanDerWaalsContact C-N 3.28Å; Q9-Q11 PolarHBondContact O-N 3.31Å; Q11-W13 VanDerWaalsContact C-N 3.27Å; Q11-W13 PolarHBondContact O-N 3.45Å; Q11-T14 WeakPolarHBondContact CA-OG1 3.15Å; Q11-T14 PolarHBondContact O-N 2.73Å; Q11-T14 PolarHBondContact O-OG1 3.09Å; Q11-N15 WeakPolarHBondContact O-CB 3.44Å; Q11-N15 PolarHBondContact O-N 3.27Å; Q11-N15 PolarHBondContact O-ND2 2.94Å; Q11-N15 PolarHBondContact O-OD1 3.39Å
12T52Low57Low102 Ų10287.9 Ų87.963%0.62647%0.473SS*.Hα-helixtrans-61-38174.946.20000111.8Q9 L10 G16Q9-T12 PolarHBondContact O-OG1 3.3Å; L10-T12 PolarHBondContact O-N 2.89Å; T12-G16 PolarHBondContact O-N 3.45Å; T12-G16 VanDerWaalsContact O-N 3.17Å
13W53.1Low59Low92 Ų9282.9 Ų82.935%0.34845%0.451SS..Hα-helixtrans-76.5-38.3-178-53.184.9000112.4L10 Q11 M18 L29L10-W13 HydrophobicContact CD2-CB 4.04Å; L10-W13 HydrophobicContact CD2-CG 3.97Å; L10-W13 WeakPolarHBondContact O-CA 3.29Å; L10-W13 WeakPolarHBondContact O-CB 3.37Å; L10-W13 PolarHBondContact O-N 3.32Å; Q11-W13 VanDerWaalsContact C-N 3.27Å; Q11-W13 PolarHBondContact O-N 3.45Å; W13-M18 HydrophobicContact CD2-SD 4.44Å; W13-M18 HydrophobicContact CE3-CE 3.77Å; W13-M18 HydrophobicContact CE3-SD 3.26Å; W13-M18 HydrophobicContact CZ3-CE 3.77Å; W13-M18 HydrophobicContact CZ3-SD 3.57Å; W13-M18 VanDerWaalsContact CZ3-SD 3.57Å; W13-L29 HydrophobicContact CB-CD1 4.08Å; W13-L29 HydrophobicContact CD2-CD1 4.29Å; W13-L29 HydrophobicContact CE3-CD1 3.78Å; W13-L29 HydrophobicContact CG-CD1 4.45Å
14T56.5Low61Low47 Ų4778.2 Ų78.229%0.28843%0.433SS..Hα-helixtrans-71.7-40175.353.30000112.2L5 L10 Q11L5-T14 HydrophobicContact CD1-CG2 3.89Å; L5-T14 HydrophobicContact CD2-CG2 3.59Å; L5-T14 HydrophobicContact CG-CG2 4.4Å; L10-T14 PolarHBondContact O-N 3Å; L10-T14 PolarHBondContact O-OG1 3.17Å; Q11-T14 WeakPolarHBondContact CA-OG1 3.15Å; Q11-T14 PolarHBondContact O-N 2.73Å; Q11-T14 PolarHBondContact O-OG1 3.09Å
15N57.1Low62.9Low132 Ų13276.8 Ų76.871%0.70643%0.425SS*.Hα-helixtrans-74.2-27.5-176.9-64-8.7000112.2Q11 G17Q11-N15 WeakPolarHBondContact O-CB 3.44Å; Q11-N15 PolarHBondContact O-N 3.27Å; Q11-N15 PolarHBondContact O-ND2 2.94Å; Q11-N15 PolarHBondContact O-OD1 3.39Å; N15-G17 PolarHBondContact O-N 3.44Å
16G58Low65Low58 Ų5880.3 Ų80.360%0.59844%0.437SS*.THydrogen-bonded Turntrans-77.67.9-179.500000115.7T12 M18T12-G16 PolarHBondContact O-N 3.45Å; T12-G16 VanDerWaalsContact O-N 3.17Å; G16-M18 PolarHBondContact O-N 2.89Å
17G63.1Low66.8Low37 Ų3778.2 Ų78.238%0.38142%0.418SS..THydrogen-bonded Turntrans68.115.1-178.300000114.3N15 L19 N20 A21N15-G17 PolarHBondContact O-N 3.44Å; G17-L19 PolarHBondContact O-N 3.49Å; G17-L19 VanDerWaalsContact O-N 3.16Å; G17-N20 PolarHBondContact O-N 2.95Å; G17-A21 PolarHBondContact O-N 3.34Å
18M63.3Low68.6Low40 Ų4072.5 Ų72.520%0.19740%0.404CS..G310 helixtrans-64.8-21.8-175.7-79.9-168.465.900114.2W13 G16 N20 A21 L25 R26 L29W13-M18 HydrophobicContact CD2-SD 4.44Å; W13-M18 HydrophobicContact CE3-CE 3.77Å; W13-M18 HydrophobicContact CE3-SD 3.26Å; W13-M18 HydrophobicContact CZ3-CE 3.77Å; W13-M18 HydrophobicContact CZ3-SD 3.57Å; W13-M18 VanDerWaalsContact CZ3-SD 3.57Å; G16-M18 PolarHBondContact O-N 2.89Å; M18-N20 PolarHBondContact O-N 3.12Å; M18-A21 WeakPolarHBondContact O-CB 3.5Å; M18-A21 PolarHBondContact O-N 3.26Å; M18-A21 VanDerWaalsContact O-N 3.09Å; M18-L25 HydrophobicContact CE-CB 4.43Å; M18-R26 WeakPolarHBondContact O-CG 3.14Å; M18-L29 HydrophobicContact CB-CD1 4.21Å; M18-L29 HydrophobicContact CE-CB 4.09Å; M18-L29 HydrophobicContact CE-CD1 3.84Å; M18-L29 HydrophobicContact SD-CD1 4.36Å
19L67.4Low70.2Confident122 Ų12271.6 Ų71.664%0.63940%0.398SS*.G310 helixtrans-64.7-23171.9-63.5178.6000112.6G17 R26G17-L19 PolarHBondContact O-N 3.49Å; G17-L19 VanDerWaalsContact O-N 3.16Å; L19-R26 WeakPolarHBondContact O-CD 3.4Å
20N75.3Confident71.8Confident155 Ų15566.3 Ų66.383%0.82938%0.376SS*.G310 helixtrans-101.66.1174.8-63.9-25.7000112.6G17 M18G17-N20 PolarHBondContact O-N 2.95Å; M18-N20 PolarHBondContact O-N 3.12Å
21A79.6Confident73.6Confident17 Ų1768.9 Ų68.914%0.1439%0.388CS..SBendtrans-70.1162.4-178.700000112.6G17 M18 L25 R26G17-A21 PolarHBondContact O-N 3.34Å; M18-A21 WeakPolarHBondContact O-CB 3.5Å; M18-A21 PolarHBondContact O-N 3.26Å; M18-A21 VanDerWaalsContact O-N 3.09Å; A21-L25 HydrophobicContact CB-CB 4Å; A21-L25 HydrophobicContact CB-CD1 4.18Å; A21-R26 HydrophobicContact CB-CG 4.37Å; A21-R26 PolarHBondContact O-NE 3.34Å
22P82.7Confident75.2Confident75 Ų7570.5 Ų70.549%0.48739%0.393SS..  trans-45.7147.6167.2-29.234.2000112.6S24 L25 R26P22-S24 VanDerWaalsContact C-N 3.26Å; P22-S24 PolarHBondContact O-N 2.97Å; P22-L25 PolarHBondContact O-N 3.29Å; P22-L25 VanDerWaalsContact O-N 3.1Å; P22-R26 PolarHBondContact O-N 2.93Å
23L85.7Confident76.9Confident42 Ų4267.4 Ų67.422%0.2237%0.373CS..Hα-helixtrans-54.5-41.4-174.5-179.860.5000112.4L25 R26 L27 L54 L68 I72L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 3.03Å; L23-R26 PolarHBondContact O-N 2.86Å; L23-R26 VanDerWaalsContact O-N 3.15Å; L23-L27 HydrophobicContact CD1-CD1 4.4Å; L23-L27 HydrophobicContact CD1-CD2 4.44Å; L23-L27 HydrophobicContact CD1-CG 4.1Å; L23-L27 HydrophobicContact CG-CD1 4.03Å; L23-L27 HydrophobicContact CG-CG 4.2Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 3.03Å; L23-L54 HydrophobicContact CD1-CD1 4.15Å; L23-L54 HydrophobicContact CD2-CD1 4.28Å; L23-L54 HydrophobicContact CD2-CD2 4.23Å; L23-L68 HydrophobicContact CD2-CD1 4.28Å; L23-L68 HydrophobicContact CD2-CD2 4.29Å; L23-L68 HydrophobicContact CG-CD1 4.27Å; L23-I72 HydrophobicContact CD2-CD1 4.49Å
24S84.9Confident78.5Confident30 Ų3063.3 Ų63.321%0.2136%0.358CS..Hα-helixtrans-55.1-45.9177.8510000113P22 L27 T28 Q71P22-S24 VanDerWaalsContact C-N 3.26Å; P22-S24 PolarHBondContact O-N 2.97Å; S24-L27 PolarHBondContact O-N 3.49Å; S24-T28 PolarHBondContact O-N 2.92Å; S24-T28 PolarHBondContact O-OG1 3.47Å; S24-T28 VanDerWaalsContact O-OG1 3.09Å; S24-Q71 PolarHBondContact O-NE2 3.34Å
25L85.2Confident79.9Confident86 Ų8664.2 Ų64.245%0.4537%0.367SS..Hα-helixtrans-68-38177.9-68.3-178.8000112.2M18 A21 P22 L23 L27 T28 L29M18-L25 HydrophobicContact CE-CB 4.43Å; A21-L25 HydrophobicContact CB-CB 4Å; A21-L25 HydrophobicContact CB-CD1 4.18Å; P22-L25 PolarHBondContact O-N 3.29Å; P22-L25 VanDerWaalsContact O-N 3.1Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 3.03Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-T28 PolarHBondContact O-N 3.43Å; L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 PolarHBondContact O-N 2.96Å
26R87.5Confident81.4Confident101 Ų10162.8 Ų62.838%0.38136%0.357SS..Hα-helixtrans-65-38.2174.9-70.9-171.5-71.7126.2-3.1111.7M18 L19 A21 P22 L23 L29 V30M18-R26 WeakPolarHBondContact O-CG 3.14Å; L19-R26 WeakPolarHBondContact O-CD 3.4Å; A21-R26 HydrophobicContact CB-CG 4.37Å; A21-R26 PolarHBondContact O-NE 3.34Å; P22-R26 PolarHBondContact O-N 2.93Å; L23-R26 PolarHBondContact O-N 2.86Å; L23-R26 VanDerWaalsContact O-N 3.15Å; R26-L29 WeakPolarHBondContact O-CB 3.38Å; R26-L29 PolarHBondContact O-N 3.25Å; R26-V30 WeakPolarHBondContact O-CG2 3.5Å; R26-V30 PolarHBondContact O-N 3Å
27L89.3Confident82.6Confident9 Ų963.8 Ų63.85%0.04735%0.348CS..Hα-helixtrans-65.1-45.2176-72.2177.6000111.9L23 S24 L25 L29 V30 E31 L51 L68 I72 L75L23-L27 HydrophobicContact CD1-CD1 4.4Å; L23-L27 HydrophobicContact CD1-CD2 4.44Å; L23-L27 HydrophobicContact CD1-CG 4.1Å; L23-L27 HydrophobicContact CG-CD1 4.03Å; L23-L27 HydrophobicContact CG-CG 4.2Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 3.03Å; S24-L27 PolarHBondContact O-N 3.49Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L27-L29 VanDerWaalsContact C-N 3.27Å; L27-L29 PolarHBondContact O-N 3.17Å; L27-V30 PolarHBondContact O-N 2.93Å; L27-E31 PolarHBondContact O-N 2.65Å; L27-L51 HydrophobicContact CD2-CD2 3.63Å; L27-L68 HydrophobicContact CD1-CD1 3.85Å; L27-I72 HydrophobicContact CD1-CD1 4.43Å; L27-I72 HydrophobicContact CD1-CG1 3.57Å; L27-L75 HydrophobicContact CB-CD1 3.67Å; L27-L75 HydrophobicContact CD1-CD1 4.43Å; L27-L75 HydrophobicContact CD2-CD1 4.02Å; L27-L75 HydrophobicContact CG-CD1 4.24Å
28T87.6Confident83.5Confident69 Ų6966.6 Ų66.642%0.42335%0.354SS..Hα-helixtrans-59.9-38.3173.7-54.80000111.9S24 L25 E31 K32 Q71S24-T28 PolarHBondContact O-N 2.92Å; S24-T28 PolarHBondContact O-OG1 3.47Å; S24-T28 VanDerWaalsContact O-OG1 3.09Å; L25-T28 PolarHBondContact O-N 3.43Å; T28-E31 PolarHBondContact O-N 3.39Å; T28-K32 WeakPolarHBondContact O-CB 3.45Å; T28-K32 PolarHBondContact O-N 2.95Å; T28-Q71 PolarHBondContact OG1-NE2 3.28Å; T28-Q71 VanDerWaalsContact OG1-NE2 3.14Å
29L86.3Confident84.5Confident23 Ų2365.8 Ų65.812%0.1235%0.352CS..Hα-helixtrans-64.2-44.7175.4175.8146.5000111.8W13 M18 L25 R26 L27 E31 K32 L33W13-L29 HydrophobicContact CB-CD1 4.08Å; W13-L29 HydrophobicContact CD2-CD1 4.29Å; W13-L29 HydrophobicContact CE3-CD1 3.78Å; W13-L29 HydrophobicContact CG-CD1 4.45Å; M18-L29 HydrophobicContact CB-CD1 4.21Å; M18-L29 HydrophobicContact CE-CB 4.09Å; M18-L29 HydrophobicContact CE-CD1 3.84Å; M18-L29 HydrophobicContact SD-CD1 4.36Å; L25-L29 WeakPolarHBondContact O-CB 3.44Å; L25-L29 PolarHBondContact O-N 2.96Å; R26-L29 WeakPolarHBondContact O-CB 3.38Å; R26-L29 PolarHBondContact O-N 3.25Å; L27-L29 VanDerWaalsContact C-N 3.27Å; L27-L29 PolarHBondContact O-N 3.17Å; L29-E31 VanDerWaalsContact C-N 3.32Å; L29-E31 PolarHBondContact O-N 3.29Å; L29-K32 PolarHBondContact O-N 3.43Å; L29-L33 HydrophobicContact CD2-CD1 3.49Å; L29-L33 VanDerWaalsContact CD2-CD1 3.49Å; L29-L33 HydrophobicContact CD2-CG 4.39Å; L29-L33 HydrophobicContact CG-CD1 4.06Å; L29-L33 WeakPolarHBondContact O-CB 3.32Å; L29-L33 WeakPolarHBondContact O-CG 3.26Å; L29-L33 PolarHBondContact O-N 3.34Å
30V88.2Confident85.4Confident47 Ų4760.9 Ų60.929%0.28533%0.331SS..Hα-helixtrans-60.5-43.6177.4167.70000110.9R26 L27 L33 A34 I47 F79R26-V30 WeakPolarHBondContact O-CG2 3.5Å; R26-V30 PolarHBondContact O-N 3Å; L27-V30 PolarHBondContact O-N 2.93Å; V30-L33 PolarHBondContact O-N 2.86Å; V30-A34 VanDerWaalsContact O-CB 3.28Å; V30-A34 WeakPolarHBondContact O-CB 3.09Å; V30-A34 PolarHBondContact O-N 3.25Å; V30-I47 HydrophobicContact CG1-CD1 4.19Å; V30-I47 HydrophobicContact CG1-CG2 4.08Å; V30-F79 HydrophobicContact CG1-CE2 3.92Å; V30-F79 HydrophobicContact CG1-CZ 3.6Å
31E89Confident86.2Confident83 Ų8354.2 Ų54.239%0.38830%0.295SS..Hα-helixtrans-60.3-47.2174.7-171.9-175.7178.300112.2L27 T28 L29 L33 A34 S35 L75L27-E31 PolarHBondContact O-N 2.65Å; T28-E31 PolarHBondContact O-N 3.39Å; L29-E31 VanDerWaalsContact C-N 3.32Å; L29-E31 PolarHBondContact O-N 3.29Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.27Å; E31-A34 PolarHBondContact O-N 3.17Å; E31-S35 WeakPolarHBondContact O-CB 3.23Å; E31-S35 PolarHBondContact O-N 2.91Å; E31-S35 PolarHBondContact O-OG 3.45Å; E31-L75 HydrophobicContact CB-CD2 3.7Å; E31-L75 HydrophobicContact CG-CD2 3.71Å
32K88.3Confident86.8Confident113 Ų11353.6 Ų53.649%0.49129%0.289SS..Hα-helixtrans-63.4-41.1179.6-168.467.8-178.8-176.10111.6T28 L29 S35 M36T28-K32 WeakPolarHBondContact O-CB 3.45Å; T28-K32 PolarHBondContact O-N 2.95Å; L29-K32 PolarHBondContact O-N 3.43Å; K32-S35 WeakPolarHBondContact CA-OG 3.2Å; K32-S35 PolarHBondContact O-N 2.86Å; K32-S35 PolarHBondContact O-OG 2.97Å; K32-M36 HydrophobicContact CG-CE 4Å; K32-M36 HydrophobicContact CG-SD 4.28Å; K32-M36 VanDerWaalsContact O-CG 3.31Å; K32-M36 WeakPolarHBondContact O-CG 3.47Å; K32-M36 PolarHBondContact O-N 3.11Å; K32-M36 VanDerWaalsContact O-N 3.07Å
33L86.1Confident87.2Confident38 Ų3851 Ų5120%0.19927%0.274CS..Hα-helixtrans-68.7-42.4177.5-69.9173.5000112.4V8 L10 L29 V30 E31 S35 M36 L37V8-L33 HydrophobicContact CG1-CD2 4.36Å; L10-L33 HydrophobicContact CD1-CD2 4.07Å; L10-L33 HydrophobicContact CD2-CD1 4.07Å; L10-L33 HydrophobicContact CD2-CD2 3.39Å; L10-L33 HydrophobicContact CD2-CG 4.27Å; L10-L33 HydrophobicContact CG-CD2 3.98Å; L29-L33 HydrophobicContact CD2-CD1 3.49Å; L29-L33 VanDerWaalsContact CD2-CD1 3.49Å; L29-L33 HydrophobicContact CD2-CG 4.39Å; L29-L33 HydrophobicContact CG-CD1 4.06Å; L29-L33 WeakPolarHBondContact O-CB 3.32Å; L29-L33 WeakPolarHBondContact O-CG 3.26Å; L29-L33 PolarHBondContact O-N 3.34Å; V30-L33 PolarHBondContact O-N 2.86Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.27Å; L33-S35 PolarHBondContact O-N 3Å; L33-M36 HydrophobicContact CD2-CE 3.82Å; L33-M36 PolarHBondContact O-N 3.36Å; L33-L37 VanDerWaalsContact O-CB 3.32Å; L33-L37 WeakPolarHBondContact O-CB 3.34Å; L33-L37 PolarHBondContact O-N 3.09Å
34A87.4Confident87.5Confident5 Ų549 Ų494%0.04126%0.264CS..Hα-helixtrans-69.8-21.7177.500000112.8V30 E31 L37 P39 W78 F79 R82V30-A34 VanDerWaalsContact O-CB 3.28Å; V30-A34 WeakPolarHBondContact O-CB 3.09Å; V30-A34 PolarHBondContact O-N 3.25Å; E31-A34 PolarHBondContact O-N 3.17Å; A34-L37 CarbonylContact C-O 3.52Å; A34-P39 HydrophobicContact CB-CG 4.38Å; A34-W78 HydrophobicContact CB-CH2 3.67Å; A34-W78 HydrophobicContact CB-CZ3 3.65Å; A34-F79 HydrophobicContact CB-CE1 3.67Å; A34-F79 HydrophobicContact CB-CZ 3.49Å; A34-F79 VanDerWaalsContact CB-CZ 3.49Å; A34-R82 PolarHBondContact O-NH1 3Å; A34-R82 PolarHBondContact O-NH2 3.3Å
35S86.9Confident87.9Confident67 Ų6749.3 Ų49.347%0.46926%0.264SS..Hα-helixtrans-81.7-32.6172.253.20000112.8E31 K32 L33E31-S35 WeakPolarHBondContact O-CB 3.23Å; E31-S35 PolarHBondContact O-N 2.91Å; E31-S35 PolarHBondContact O-OG 3.45Å; K32-S35 WeakPolarHBondContact CA-OG 3.2Å; K32-S35 PolarHBondContact O-N 2.86Å; K32-S35 PolarHBondContact O-OG 2.97Å; L33-S35 PolarHBondContact O-N 3Å
36M87.4Confident88.3Confident101 Ų10148.7 Ų48.750%0.49826%0.259SS..Hα-helixtrans-82.3-33177.6-67.5-175.9-51.800113.5K32 L33K32-M36 HydrophobicContact CG-CE 4Å; K32-M36 HydrophobicContact CG-SD 4.28Å; K32-M36 VanDerWaalsContact O-CG 3.31Å; K32-M36 WeakPolarHBondContact O-CG 3.47Å; K32-M36 PolarHBondContact O-N 3.11Å; K32-M36 VanDerWaalsContact O-N 3.07Å; L33-M36 HydrophobicContact CD2-CE 3.82Å; L33-M36 PolarHBondContact O-N 3.36Å
37L83.9Confident88.5Confident80 Ų8046 Ų4642%0.41925%0.252SS..SBendtrans-106.6151.8179.7-57.1173.5000109.1V8 L33 A34 P39 R82V8-L37 HydrophobicContact CG1-CD1 4.04Å; V8-L37 HydrophobicContact CG1-CD2 4.2Å; V8-L37 HydrophobicContact CG1-CG 4.43Å; L33-L37 VanDerWaalsContact O-CB 3.32Å; L33-L37 WeakPolarHBondContact O-CB 3.34Å; L33-L37 PolarHBondContact O-N 3.09Å; A34-L37 CarbonylContact C-O 3.52Å; L37-P39 VanDerWaalsContact C-CD 3.49Å; L37-P39 WeakPolarHBondContact O-CD 3.22Å; L37-R82 PolarHBondContact O-NH2 3.32Å
38D81.5Confident88.7Confident95 Ų9546 Ų4651%0.50825%0.253SS..  trans-92.689.8164.1-171.246.3000110.1R82 K86D38-R82 IonicContact OD1-CZ 3.72Å; D38-R82 IonicContact OD1-NE 3.72Å; D38-R82 IonicContact OD1-NH2 2.85Å; D38-R82 PolarHBondContact OD1-NH2 2.96Å; D38-K86 IonicContact OD1-NZ 3.79Å; D38-K86 IonicContact OD2-NZ 2.77Å; D38-K86 PolarHBondContact OD2-NZ 3.39Å
39P83.8Confident89Confident23 Ų2348.3 Ų48.315%0.14926%0.259CS..  trans-61.9143.1179.627.4-37000110.8A34 L37 A43 L44 K86A34-P39 HydrophobicContact CB-CG 4.38Å; L37-P39 VanDerWaalsContact C-CD 3.49Å; L37-P39 WeakPolarHBondContact O-CD 3.22Å; P39-A43 HydrophobicContact CB-CB 3.98Å; P39-L44 HydrophobicContact CB-CD2 4.41Å; P39-L44 HydrophobicContact CB-CG 4.36Å; P39-L44 HydrophobicContact CG-CD2 3.48Å; P39-L44 VanDerWaalsContact CG-CD2 3.48Å; P39-L44 HydrophobicContact CG-CG 3.84Å; P39-K86 PolarHBondContact O-NZ 3.2Å
40G86.8Confident89.3Confident19 Ų1952 Ų5220%0.19628%0.276CS..  trans-56.7160.5173.300000112.6L42 A43 L44G40-L42 VanDerWaalsContact C-N 3.28Å; G40-L42 PolarHBondContact O-N 3.25Å; G40-A43 PolarHBondContact O-N 3.32Å; G40-A43 VanDerWaalsContact O-N 3.12Å; G40-L44 PolarHBondContact O-N 2.88Å; G40-L44 VanDerWaalsContact O-N 3.16Å
41H91.8Very high89.6Confident15 Ų1550 Ų507%0.06926%0.263CS..Hα-helixtrans-59.1-40.1-177.8173.4-81.8000111.6A43 L44 T45 K86 L90 D138H41-A43 VanDerWaalsContact C-N 3.32Å; H41-A43 PolarHBondContact O-N 3.38Å; H41-L44 PolarHBondContact O-N 3.32Å; H41-T45 PolarHBondContact CE1-OG1 3.24Å; H41-T45 VanDerWaalsContact CE1-OG1 3.29Å; H41-T45 PolarHBondContact ND1-OG1 2.99Å; H41-T45 PolarHBondContact O-N 2.75Å; H41-T45 PolarHBondContact O-OG1 3.23Å; H41-K86 HydrophobicContact CB-CD 4.29Å; H41-K86 HydrophobicContact CB-CG 4.47Å; H41-L90 HydrophobicContact CB-CD1 4.36Å; H41-D138 WeakPolarHBondContact CB-OD1 3.49Å
42L91.9Very high89.8Confident4 Ų447.1 Ų47.12%0.02125%0.254CS..Hα-helixtrans-55.7-44175.5-175.459.1000113.3G40 T45 Q46 R132 W133G40-L42 VanDerWaalsContact C-N 3.28Å; G40-L42 PolarHBondContact O-N 3.25Å; L42-T45 PolarHBondContact O-N 2.92Å; L42-Q46 HydrophobicContact CD1-CG 4.23Å; L42-Q46 WeakPolarHBondContact O-CB 3.46Å; L42-Q46 WeakPolarHBondContact O-CG 3.36Å; L42-Q46 PolarHBondContact O-N 2.98Å; L42-R132 HydrophobicContact CD2-CG 4.12Å; L42-W133 HydrophobicContact CB-CE3 4.01Å; L42-W133 HydrophobicContact CB-CZ3 4.14Å; L42-W133 HydrophobicContact CD2-CD2 3.85Å; L42-W133 HydrophobicContact CD2-CE3 3.69Å; L42-W133 HydrophobicContact CD2-CH2 4.2Å; L42-W133 HydrophobicContact CD2-CZ2 4.34Å; L42-W133 HydrophobicContact CD2-CZ3 3.87Å; L42-W133 HydrophobicContact CG-CE3 3.93Å; L42-W133 HydrophobicContact CG-CH2 4.3Å; L42-W133 HydrophobicContact CG-CZ3 3.77Å
43A91.8Very high90Very high21 Ų2146.6 Ų46.617%0.17426%0.256CS..Hα-helixtrans-65.6-44.2179.900000111.2P39 G40 H41 T45 Q46 I47 W133P39-A43 HydrophobicContact CB-CB 3.98Å; G40-A43 PolarHBondContact O-N 3.32Å; G40-A43 VanDerWaalsContact O-N 3.12Å; H41-A43 VanDerWaalsContact C-N 3.32Å; H41-A43 PolarHBondContact O-N 3.38Å; A43-T45 VanDerWaalsContact C-N 3.35Å; A43-T45 PolarHBondContact O-N 3.16Å; A43-Q46 PolarHBondContact O-N 3.33Å; A43-I47 WeakPolarHBondContact O-CB 3.19Å; A43-I47 WeakPolarHBondContact O-CD1 3.35Å; A43-I47 WeakPolarHBondContact O-CG1 3.39Å; A43-I47 PolarHBondContact O-N 3.34Å; A43-W133 HydrophobicContact CB-CE3 4.34Å; A43-W133 HydrophobicContact CB-CZ3 3.88Å
44L92.7Very high90.2Very high0 Ų046.1 Ų46.10%025%0.253CS..Hα-helixtrans-59.3-46.5175.4-67.1170.2000111.2P39 G40 H41 I47 A48 F79 R82 C83 K86P39-L44 HydrophobicContact CB-CD2 4.41Å; P39-L44 HydrophobicContact CB-CG 4.36Å; P39-L44 HydrophobicContact CG-CD2 3.48Å; P39-L44 VanDerWaalsContact CG-CD2 3.48Å; P39-L44 HydrophobicContact CG-CG 3.84Å; G40-L44 PolarHBondContact O-N 2.88Å; G40-L44 VanDerWaalsContact O-N 3.16Å; H41-L44 PolarHBondContact O-N 3.32Å; L44-I47 PolarHBondContact O-N 3.5Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.11Å; L44-F79 HydrophobicContact CD2-CD1 3.59Å; L44-F79 HydrophobicContact CD2-CE1 3.9Å; L44-R82 HydrophobicContact CD1-CB 4.5Å; L44-R82 HydrophobicContact CD1-CG 3.97Å; L44-R82 HydrophobicContact CD2-CB 4.31Å; L44-R82 HydrophobicContact CD2-CG 4.08Å; L44-C83 WeakPolarHBondContact CB-SG 3.39Å; L44-K86 HydrophobicContact CD1-CB 4.3Å; L44-K86 HydrophobicContact CD1-CD 3.76Å
45T92.6Very high90.2Very high36 Ų3648.2 Ų48.222%0.22126%0.262CS..Hα-helixtrans-62.1-47179-53.20000111.8H41 L42 A43 I47 A48 Q49H41-T45 PolarHBondContact CE1-OG1 3.24Å; H41-T45 VanDerWaalsContact CE1-OG1 3.29Å; H41-T45 PolarHBondContact ND1-OG1 2.99Å; H41-T45 PolarHBondContact O-N 2.75Å; H41-T45 PolarHBondContact O-OG1 3.23Å; L42-T45 PolarHBondContact O-N 2.92Å; A43-T45 VanDerWaalsContact C-N 3.35Å; A43-T45 PolarHBondContact O-N 3.16Å; T45-I47 PolarHBondContact O-N 3.42Å; T45-A48 PolarHBondContact O-N 2.91Å; T45-Q49 HydrophobicContact CG2-CG 4.49Å; T45-Q49 WeakPolarHBondContact O-CB 3.42Å; T45-Q49 VanDerWaalsContact O-CG 3.28Å; T45-Q49 WeakPolarHBondContact O-CG 3.44Å; T45-Q49 PolarHBondContact O-N 2.89Å
46Q92.7Very high90.2Very high73 Ų7352.3 Ų52.334%0.34127%0.271SS..Hα-helixtrans-65.2-39.5-179.9-74.3-17710.100112.3L42 A43 Q49 H50L42-Q46 HydrophobicContact CD1-CG 4.23Å; L42-Q46 WeakPolarHBondContact O-CB 3.46Å; L42-Q46 WeakPolarHBondContact O-CG 3.36Å; L42-Q46 PolarHBondContact O-N 2.98Å; A43-Q46 PolarHBondContact O-N 3.33Å; Q46-Q49 PolarHBondContact O-N 3.08Å; Q46-H50 WeakPolarHBondContact O-CB 3.09Å; Q46-H50 PolarHBondContact O-N 3.13Å
47I93.1Very high90Very high46 Ų4653.7 Ų53.724%0.23628%0.278CS..Hα-helixtrans-64.3-47175.7-67.3164.9000110.1V30 A43 L44 T45 Q49 H50 L51 F79V30-I47 HydrophobicContact CG1-CD1 4.19Å; V30-I47 HydrophobicContact CG1-CG2 4.08Å; A43-I47 WeakPolarHBondContact O-CB 3.19Å; A43-I47 WeakPolarHBondContact O-CD1 3.35Å; A43-I47 WeakPolarHBondContact O-CG1 3.39Å; A43-I47 PolarHBondContact O-N 3.34Å; L44-I47 PolarHBondContact O-N 3.5Å; T45-I47 PolarHBondContact O-N 3.42Å; I47-Q49 VanDerWaalsContact C-N 3.32Å; I47-Q49 PolarHBondContact O-N 3.49Å; I47-H50 PolarHBondContact O-N 3.34Å; I47-L51 HydrophobicContact CG2-CD1 3.78Å; I47-L51 HydrophobicContact CG2-CG 4.27Å; I47-L51 VanDerWaalsContact O-CG 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.41Å; I47-L51 PolarHBondContact O-N 3.19Å; I47-F79 HydrophobicContact CB-CD1 4.07Å; I47-F79 HydrophobicContact CB-CE1 4.11Å; I47-F79 HydrophobicContact CB-CG 4.44Å; I47-F79 HydrophobicContact CD1-CD1 4.36Å; I47-F79 HydrophobicContact CD1-CE1 3.63Å; I47-F79 HydrophobicContact CD1-CZ 4.04Å; I47-F79 HydrophobicContact CG1-CE1 4.48Å; I47-F79 HydrophobicContact CG2-CD1 3.78Å; I47-F79 HydrophobicContact CG2-CD2 3.72Å; I47-F79 HydrophobicContact CG2-CE1 3.74Å; I47-F79 HydrophobicContact CG2-CE2 3.69Å; I47-F79 HydrophobicContact CG2-CG 3.79Å; I47-F79 HydrophobicContact CG2-CZ 3.7Å
48A93.9Very high89.3Confident9 Ų951 Ų517%0.07426%0.264CS..Hα-helixtrans-58.8-43.2177.200000112.1L44 T45 L51 A52 Y76 F79L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.11Å; T45-A48 PolarHBondContact O-N 2.91Å; A48-L51 PolarHBondContact O-N 3.4Å; A48-A52 PolarHBondContact O-N 3.3Å; A48-Y76 WeakPolarHBondContact O-CD2 3.46Å; A48-F79 HydrophobicContact CB-CB 4.23Å
49Q93.3Very high88.3Confident116 Ų11654.5 Ų54.554%0.54228%0.277SS..Hα-helixtrans-62.6-43.4175.3-73.4171.9-9.500112.2T45 Q46 I47 A52 L53T45-Q49 HydrophobicContact CG2-CG 4.49Å; T45-Q49 WeakPolarHBondContact O-CB 3.42Å; T45-Q49 VanDerWaalsContact O-CG 3.28Å; T45-Q49 WeakPolarHBondContact O-CG 3.44Å; T45-Q49 PolarHBondContact O-N 2.89Å; Q46-Q49 PolarHBondContact O-N 3.08Å; I47-Q49 VanDerWaalsContact C-N 3.32Å; I47-Q49 PolarHBondContact O-N 3.49Å; Q49-A52 PolarHBondContact O-N 3.23Å; Q49-L53 WeakPolarHBondContact O-CG 3.4Å; Q49-L53 PolarHBondContact O-N 3.37Å
50H92.9Very high87.2Confident102 Ų10263.9 Ų63.947%0.47231%0.31SS..Hα-helixtrans-63.4-42.5176.9-173.468.9000111.8Q46 I47 A52 L53 L54Q46-H50 WeakPolarHBondContact O-CB 3.09Å; Q46-H50 PolarHBondContact O-N 3.13Å; I47-H50 PolarHBondContact O-N 3.34Å; H50-A52 VanDerWaalsContact C-N 3.34Å; H50-A52 PolarHBondContact O-N 3.02Å; H50-L53 WeakPolarHBondContact O-CB 3.27Å; H50-L53 PolarHBondContact O-N 3.43Å; H50-L54 WeakPolarHBondContact O-CG 3.28Å; H50-L54 PolarHBondContact O-N 2.92Å
51L94.1Very high85.8Confident4 Ų469.8 Ų69.82%0.02133%0.332CS..Hα-helixtrans-61.3-41.9174.8-68.8167.6000111.4L27 I47 A48 L53 L54 Q55 I72 L75 Y76 F79L27-L51 HydrophobicContact CD2-CD2 3.63Å; I47-L51 HydrophobicContact CG2-CD1 3.78Å; I47-L51 HydrophobicContact CG2-CG 4.27Å; I47-L51 VanDerWaalsContact O-CG 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.41Å; I47-L51 PolarHBondContact O-N 3.19Å; A48-L51 PolarHBondContact O-N 3.4Å; L51-L53 VanDerWaalsContact C-N 3.3Å; L51-L53 PolarHBondContact O-N 3.48Å; L51-L54 PolarHBondContact O-N 2.99Å; L51-Q55 WeakPolarHBondContact O-CG 3.48Å; L51-Q55 PolarHBondContact O-N 2.94Å; L51-I72 HydrophobicContact CB-CG2 4.44Å; L51-I72 HydrophobicContact CD2-CG2 4.13Å; L51-L75 HydrophobicContact CD1-CB 3.86Å; L51-L75 HydrophobicContact CD2-CB 4.24Å; L51-Y76 HydrophobicContact CB-CD2 4.2Å; L51-F79 HydrophobicContact CD1-CB 4.5Å; L51-F79 HydrophobicContact CD1-CD2 3.72Å; L51-F79 HydrophobicContact CD1-CE2 4.39Å; L51-F79 HydrophobicContact CD1-CG 4.36Å
52A92.9Very high84Confident23 Ų2378.6 Ų78.619%0.1937%0.373CS..Hα-helixtrans-62.1-35.9174.900000112.9A48 Q49 H50 K56 Y76A48-A52 PolarHBondContact O-N 3.3Å; Q49-A52 PolarHBondContact O-N 3.23Å; H50-A52 VanDerWaalsContact C-N 3.34Å; H50-A52 PolarHBondContact O-N 3.02Å; A52-K56 WeakPolarHBondContact O-CG 3.46Å; A52-K56 PolarHBondContact O-N 2.98Å; A52-Y76 HydrophobicContact CB-CD2 4.16Å; A52-Y76 HydrophobicContact CB-CE2 3.79Å
53L92Very high82.4Confident102 Ų10280.3 Ų80.353%0.53439%0.386SS..Hα-helixtrans-67.5-44.5173.2-69.9174.1000111.6Q49 H50 L51 Q55 K56 M57Q49-L53 WeakPolarHBondContact O-CG 3.4Å; Q49-L53 PolarHBondContact O-N 3.37Å; H50-L53 WeakPolarHBondContact O-CB 3.27Å; H50-L53 PolarHBondContact O-N 3.43Å; L51-L53 VanDerWaalsContact C-N 3.3Å; L51-L53 PolarHBondContact O-N 3.48Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 2.98Å; L53-K56 PolarHBondContact O-N 3.21Å; L53-K56 VanDerWaalsContact O-N 3.16Å; L53-M57 WeakPolarHBondContact O-CG 3.46Å; L53-M57 PolarHBondContact O-N 3.49Å; L53-M57 VanDerWaalsContact O-N 3.09Å
54L90Very high81.2Confident27 Ų2783.7 Ų83.714%0.14141%0.413CS..Hα-helixtrans-60.5-42.4177.2-71.6175.3000111.8L23 H50 L51 K56 M57 D58 I72L23-L54 HydrophobicContact CD1-CD1 4.15Å; L23-L54 HydrophobicContact CD2-CD1 4.28Å; L23-L54 HydrophobicContact CD2-CD2 4.23Å; H50-L54 WeakPolarHBondContact O-CG 3.28Å; H50-L54 PolarHBondContact O-N 2.92Å; L51-L54 PolarHBondContact O-N 2.99Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 2.93Å; L54-M57 PolarHBondContact O-N 3.09Å; L54-M57 VanDerWaalsContact O-N 3.14Å; L54-D58 WeakPolarHBondContact O-CB 3.27Å; L54-D58 PolarHBondContact O-N 3.16Å; L54-I72 HydrophobicContact CB-CD1 4.23Å; L54-I72 HydrophobicContact CB-CG2 4.21Å
55Q88.6Confident80.2Confident50 Ų5089.2 Ų89.223%0.23444%0.438CS..Hα-helixtrans-53.9-50.4173.2-71.9177.8-9.300110.6L51 L53 M57 D58 H59 I72 Y76L51-Q55 WeakPolarHBondContact O-CG 3.48Å; L51-Q55 PolarHBondContact O-N 2.94Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 2.98Å; Q55-M57 VanDerWaalsContact C-N 3.26Å; Q55-M57 PolarHBondContact O-N 2.97Å; Q55-D58 PolarHBondContact O-N 3.17Å; Q55-H59 PolarHBondContact O-CE1 3.36Å; Q55-H59 PolarHBondContact O-ND1 3.39Å; Q55-I72 HydrophobicContact CG-CB 4.42Å; Q55-I72 HydrophobicContact CG-CG2 3.45Å; Q55-I72 VanDerWaalsContact CG-CG2 3.45Å; Q55-Y76 VanDerWaalsContact NE2-CB 3.27Å
56K86.8Confident79.3Confident152 Ų15292.8 Ų92.866%0.66146%0.461SS*.Hα-helixtrans-62.5-30.8-179.3-69175.2-176.4179.50113.5A52 L53 L54A52-K56 WeakPolarHBondContact O-CG 3.46Å; A52-K56 PolarHBondContact O-N 2.98Å; L53-K56 PolarHBondContact O-N 3.21Å; L53-K56 VanDerWaalsContact O-N 3.16Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 2.93Å
57M83.7Confident78.9Confident130 Ų13096.4 Ų96.464%0.6448%0.478SS*.Hα-helixtrans-78.3-41.6178.7-68.6179.771.300112.6L53 L54 Q55 H59 R60L53-M57 WeakPolarHBondContact O-CG 3.46Å; L53-M57 PolarHBondContact O-N 3.49Å; L53-M57 VanDerWaalsContact O-N 3.09Å; L54-M57 PolarHBondContact O-N 3.09Å; L54-M57 VanDerWaalsContact O-N 3.14Å; Q55-M57 VanDerWaalsContact C-N 3.26Å; Q55-M57 PolarHBondContact O-N 2.97Å; M57-H59 VanDerWaalsContact C-N 3.34Å; M57-H59 PolarHBondContact O-N 3.2Å; M57-R60 WeakPolarHBondContact O-CB 3.48Å; M57-R60 PolarHBondContact O-N 3.02Å
58D69.3Low78.6Confident23 Ų2395 Ų9512%0.12347%0.471CS..Hα-helixtrans-68-29.4-173.2-166.639.5000113L54 Q55 R60 Q61 S63 P69L54-D58 WeakPolarHBondContact O-CB 3.27Å; L54-D58 PolarHBondContact O-N 3.16Å; Q55-D58 PolarHBondContact O-N 3.17Å; D58-R60 PolarHBondContact O-N 3.23Å; D58-Q61 PolarHBondContact O-N 2.88Å; D58-S63 PolarHBondContact OD1-OG 3.42Å; D58-P69 WeakPolarHBondContact OD2-CB 3.32Å; D58-P69 WeakPolarHBondContact OD2-CG 3.33Å
59H60.8Low78.4Confident169 Ų16997.4 Ų97.478%0.78249%0.486SS*.THydrogen-bonded Turntrans-56.7-15.7173.2-71.875.7000113.8Q55 M57Q55-H59 PolarHBondContact O-CE1 3.36Å; Q55-H59 PolarHBondContact O-ND1 3.39Å; M57-H59 VanDerWaalsContact C-N 3.34Å; M57-H59 PolarHBondContact O-N 3.2Å
60R59.3Low78.2Confident220 Ų22098.7 Ų98.783%0.8349%0.492SS*.THydrogen-bonded Turntrans-94.7-9.2-178.8-62.4-175.9177.7-179.8-1.4114.1M57 D58M57-R60 WeakPolarHBondContact O-CB 3.48Å; M57-R60 PolarHBondContact O-N 3.02Å; D58-R60 PolarHBondContact O-N 3.23Å
61Q58.4Low78.1Confident143 Ų14395.9 Ų95.967%0.66848%0.479SS*.SBendtrans-123.6131.1-171.7-63.8-171.2-34.200111D58 S63D58-Q61 PolarHBondContact O-N 2.88Å; Q61-S63 PolarHBondContact O-N 3.31Å
62H52.5Low78Confident200 Ų20095.8 Ų95.893%0.92648%0.478SS*.  trans-68.879.2167.8-69.969000107.7
63S59Low78Confident41 Ų4196.7 Ų96.729%0.28749%0.486SS..  trans-65.9135-174.2-800000111.1D58 Q61 F65D58-S63 PolarHBondContact OD1-OG 3.42Å; Q61-S63 PolarHBondContact O-N 3.31Å; S63-F65 PolarHBondContact O-N 3.32Å
64A67.4Low78.1Confident91 Ų9194.9 Ų94.975%0.75249%0.486SS*.SBendtrans-64.7-3.7175.100000114
65F70.5Confident78.4Confident117 Ų11793.8 Ų93.851%0.51348%0.48SS..  trans-124.894.2-176.9-61.5-79.6000109.4S63 E67 L68S63-F65 PolarHBondContact O-N 3.32Å; F65-E67 PolarHBondContact O-N 3.48Å; F65-E67 VanDerWaalsContact O-N 3.17Å; F65-L68 HydrophobicContact CB-CB 3.97Å; F65-L68 WeakPolarHBondContact O-CB 3.33Å; F65-L68 PolarHBondContact O-N 2.88Å; F65-L68 VanDerWaalsContact O-N 3.16Å
66P75.2Confident78.7Confident111 Ų11194.7 Ų94.772%0.72148%0.482SS*.THydrogen-bonded Turntrans-64.4-21.6-174.524.7-33.9000113.7
67E83.9Confident79.1Confident148 Ų14892.4 Ų92.469%0.69247%0.473SS*.THydrogen-bonded Turntrans-84.1-17.4179.7-60.9-178.117400113.4F65 Q70 Q71F65-E67 PolarHBondContact O-N 3.48Å; F65-E67 VanDerWaalsContact O-N 3.17Å; E67-Q70 PolarHBondContact O-N 3.05Å; E67-Q71 PolarHBondContact O-N 3.14Å
68L86.9Confident79.7Confident16 Ų1690.5 Ų90.58%0.08446%0.459CS..Hα-helixtrans-60.5-45.2-174.7179.666.2000113.4L23 L27 F65 Q70 Q71 I72L23-L68 HydrophobicContact CD2-CD1 4.28Å; L23-L68 HydrophobicContact CD2-CD2 4.29Å; L23-L68 HydrophobicContact CG-CD1 4.27Å; L27-L68 HydrophobicContact CD1-CD1 3.85Å; F65-L68 HydrophobicContact CB-CB 3.97Å; F65-L68 WeakPolarHBondContact O-CB 3.33Å; F65-L68 PolarHBondContact O-N 2.88Å; F65-L68 VanDerWaalsContact O-N 3.16Å; L68-Q70 VanDerWaalsContact C-N 3.28Å; L68-Q70 PolarHBondContact O-N 2.95Å; L68-Q71 PolarHBondContact O-N 3.23Å; L68-I72 HydrophobicContact CD1-CD1 4.07Å; L68-I72 HydrophobicContact CD1-CG1 4.23Å; L68-I72 HydrophobicContact CG-CD1 3.94Å; L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.4Å; L68-I72 PolarHBondContact O-N 3.5Å
69P88.6Confident80.9Confident60 Ų6089.4 Ų89.439%0.3945%0.453SS..Hα-helixtrans-58.4-40.9175.6-15.219.7000112.5D58 I72 A73D58-P69 WeakPolarHBondContact OD2-CB 3.32Å; D58-P69 WeakPolarHBondContact OD2-CG 3.33Å; P69-I72 PolarHBondContact O-N 2.98Å; P69-A73 WeakPolarHBondContact O-CB 3.31Å; P69-A73 PolarHBondContact O-N 3.05Å
70Q89.9Confident82.5Confident144 Ų14482 Ų8267%0.67342%0.42SS*.Hα-helixtrans-68-40.8178.9-67.4-179.1-12.100111.5E67 L68 A73 A74E67-Q70 PolarHBondContact O-N 3.05Å; L68-Q70 VanDerWaalsContact C-N 3.28Å; L68-Q70 PolarHBondContact O-N 2.95Å; Q70-A73 PolarHBondContact O-N 2.65Å; Q70-A74 WeakPolarHBondContact O-CB 3.48Å; Q70-A74 PolarHBondContact O-N 2.66Å
71Q91.1Very high84.2Confident42 Ų4273.6 Ų73.620%0.19640%0.398CS..Hα-helixtrans-60-46.4174.6-171.1-176.117.300111S24 T28 E67 L68 A73 A74 L75S24-Q71 PolarHBondContact O-NE2 3.34Å; T28-Q71 PolarHBondContact OG1-NE2 3.28Å; T28-Q71 VanDerWaalsContact OG1-NE2 3.14Å; E67-Q71 PolarHBondContact O-N 3.14Å; L68-Q71 PolarHBondContact O-N 3.23Å; Q71-A73 VanDerWaalsContact C-N 3.35Å; Q71-A73 PolarHBondContact O-N 3.35Å; Q71-A74 PolarHBondContact O-N 3.36Å; Q71-L75 HydrophobicContact CG-CD1 4.14Å; Q71-L75 WeakPolarHBondContact O-CB 3.45Å; Q71-L75 VanDerWaalsContact O-CG 3.3Å; Q71-L75 WeakPolarHBondContact O-CG 3.46Å; Q71-L75 PolarHBondContact O-N 3.09Å
72I92.2Very high85.9Confident2 Ų269.2 Ų69.21%0.0138%0.376CS..Hα-helixtrans-63.6-41.8177.9-62.1165.2000110.5L23 L27 L51 L54 Q55 L68 P69 Y76L23-I72 HydrophobicContact CD2-CD1 4.49Å; L27-I72 HydrophobicContact CD1-CD1 4.43Å; L27-I72 HydrophobicContact CD1-CG1 3.57Å; L51-I72 HydrophobicContact CB-CG2 4.44Å; L51-I72 HydrophobicContact CD2-CG2 4.13Å; L54-I72 HydrophobicContact CB-CD1 4.23Å; L54-I72 HydrophobicContact CB-CG2 4.21Å; Q55-I72 HydrophobicContact CG-CB 4.42Å; Q55-I72 HydrophobicContact CG-CG2 3.45Å; Q55-I72 VanDerWaalsContact CG-CG2 3.45Å; L68-I72 HydrophobicContact CD1-CD1 4.07Å; L68-I72 HydrophobicContact CD1-CG1 4.23Å; L68-I72 HydrophobicContact CG-CD1 3.94Å; L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.4Å; L68-I72 PolarHBondContact O-N 3.5Å; P69-I72 PolarHBondContact O-N 2.98Å; I72-Y76 VanDerWaalsContact O-CB 3.28Å; I72-Y76 WeakPolarHBondContact O-CB 3.36Å; I72-Y76 PolarHBondContact O-N 2.55Å
73A93.1Very high87.8Confident42 Ų4260.4 Ų60.435%0.34734%0.336SS..Hα-helixtrans-60.7-48.7176.300000113P69 Q70 Q71 Y76 E77P69-A73 WeakPolarHBondContact O-CB 3.31Å; P69-A73 PolarHBondContact O-N 3.05Å; Q70-A73 PolarHBondContact O-N 2.65Å; Q71-A73 VanDerWaalsContact C-N 3.35Å; Q71-A73 PolarHBondContact O-N 3.35Å; A73-Y76 PolarHBondContact O-N 3.14Å; A73-E77 PolarHBondContact O-N 3.48Å; A73-E77 VanDerWaalsContact O-N 3.11Å
74A94Very high89.4Confident64 Ų6465.1 Ų65.153%0.52935%0.348SS..Hα-helixtrans-62-45.2178.400000111.9Q70 Q71 E77 W78Q70-A74 WeakPolarHBondContact O-CB 3.48Å; Q70-A74 PolarHBondContact O-N 2.66Å; Q71-A74 PolarHBondContact O-N 3.36Å; A74-E77 PolarHBondContact O-N 3.05Å; A74-W78 WeakPolarHBondContact O-CB 3.32Å; A74-W78 PolarHBondContact O-N 3.24Å
75L94.6Very high90.6Very high5 Ų568.3 Ų68.33%0.02634%0.341CS..Hα-helixtrans-64.6-42.1177.5-71174.9000111.8L27 E31 L51 Q71 E77 W78 F79L27-L75 HydrophobicContact CB-CD1 3.67Å; L27-L75 HydrophobicContact CD1-CD1 4.43Å; L27-L75 HydrophobicContact CD2-CD1 4.02Å; L27-L75 HydrophobicContact CG-CD1 4.24Å; E31-L75 HydrophobicContact CB-CD2 3.7Å; E31-L75 HydrophobicContact CG-CD2 3.71Å; L51-L75 HydrophobicContact CD1-CB 3.86Å; L51-L75 HydrophobicContact CD2-CB 4.24Å; Q71-L75 HydrophobicContact CG-CD1 4.14Å; Q71-L75 WeakPolarHBondContact O-CB 3.45Å; Q71-L75 VanDerWaalsContact O-CG 3.3Å; Q71-L75 WeakPolarHBondContact O-CG 3.46Å; Q71-L75 PolarHBondContact O-N 3.09Å; L75-E77 PolarHBondContact O-N 2.99Å; L75-W78 PolarHBondContact O-N 2.92Å; L75-F79 HydrophobicContact CB-CD2 4.46Å; L75-F79 HydrophobicContact CD2-CE2 4.44Å; L75-F79 WeakPolarHBondContact O-CB 3.13Å; L75-F79 VanDerWaalsContact O-CD2 3.29Å; L75-F79 WeakPolarHBondContact O-CD2 3.35Å; L75-F79 PolarHBondContact O-N 3.49Å
76Y95.7Very high91.5Very high68 Ų6863.7 Ų63.727%0.26732%0.32SS..Hα-helixtrans-58.5-47.6178.3171.5-103.5000111.6A48 L51 A52 Q55 I72 A73 S80A48-Y76 WeakPolarHBondContact O-CD2 3.46Å; L51-Y76 HydrophobicContact CB-CD2 4.2Å; A52-Y76 HydrophobicContact CB-CD2 4.16Å; A52-Y76 HydrophobicContact CB-CE2 3.79Å; Q55-Y76 VanDerWaalsContact NE2-CB 3.27Å; I72-Y76 VanDerWaalsContact O-CB 3.28Å; I72-Y76 WeakPolarHBondContact O-CB 3.36Å; I72-Y76 PolarHBondContact O-N 2.55Å; A73-Y76 PolarHBondContact O-N 3.14Å; Y76-S80 WeakPolarHBondContact O-CB 3.37Å; Y76-S80 PolarHBondContact O-N 3.27Å; Y76-S80 PolarHBondContact O-OG 2.9Å
77E96Very high92.3Very high104 Ų10462.4 Ų62.449%0.48631%0.305SS..Hα-helixtrans-63.9-41.9177.3-75.1-55.214100112A73 A74 L75 S80 A81A73-E77 PolarHBondContact O-N 3.48Å; A73-E77 VanDerWaalsContact O-N 3.11Å; A74-E77 PolarHBondContact O-N 3.05Å; L75-E77 PolarHBondContact O-N 2.99Å; E77-S80 PolarHBondContact O-N 3.38Å; E77-A81 VanDerWaalsContact O-CB 3.3Å; E77-A81 WeakPolarHBondContact O-CB 3.39Å; E77-A81 PolarHBondContact O-N 3.48Å
78W94.7Very high92.7Very high90 Ų9061.7 Ų61.734%0.34130%0.299SS..Hα-helixtrans-61.9-50178.3-175.986.8000112.5A34 A74 L75 S80 A81 R82A34-W78 HydrophobicContact CB-CH2 3.67Å; A34-W78 HydrophobicContact CB-CZ3 3.65Å; A74-W78 WeakPolarHBondContact O-CB 3.32Å; A74-W78 PolarHBondContact O-N 3.24Å; L75-W78 PolarHBondContact O-N 2.92Å; W78-S80 PolarHBondContact O-N 3.08Å; W78-A81 PolarHBondContact O-N 3.35Å; W78-R82 VanDerWaalsContact CH2-NH1 3.27Å; W78-R82 WeakPolarHBondContact O-CB 3.36Å; W78-R82 PolarHBondContact O-N 2.88Å
79F94.8Very high92.7Very high0 Ų061.6 Ų61.60%030%0.301CS..Hα-helixtrans-63.7-41.3177-85.6-79.7000111.4V30 A34 L44 I47 A48 L51 L75 R82 C83V30-F79 HydrophobicContact CG1-CE2 3.92Å; V30-F79 HydrophobicContact CG1-CZ 3.6Å; A34-F79 HydrophobicContact CB-CE1 3.67Å; A34-F79 HydrophobicContact CB-CZ 3.49Å; A34-F79 VanDerWaalsContact CB-CZ 3.49Å; L44-F79 HydrophobicContact CD2-CD1 3.59Å; L44-F79 HydrophobicContact CD2-CE1 3.9Å; I47-F79 HydrophobicContact CB-CD1 4.07Å; I47-F79 HydrophobicContact CB-CE1 4.11Å; I47-F79 HydrophobicContact CB-CG 4.44Å; I47-F79 HydrophobicContact CD1-CD1 4.36Å; I47-F79 HydrophobicContact CD1-CE1 3.63Å; I47-F79 HydrophobicContact CD1-CZ 4.04Å; I47-F79 HydrophobicContact CG1-CE1 4.48Å; I47-F79 HydrophobicContact CG2-CD1 3.78Å; I47-F79 HydrophobicContact CG2-CD2 3.72Å; I47-F79 HydrophobicContact CG2-CE1 3.74Å; I47-F79 HydrophobicContact CG2-CE2 3.69Å; I47-F79 HydrophobicContact CG2-CG 3.79Å; I47-F79 HydrophobicContact CG2-CZ 3.7Å; A48-F79 HydrophobicContact CB-CB 4.23Å; L51-F79 HydrophobicContact CD1-CB 4.5Å; L51-F79 HydrophobicContact CD1-CD2 3.72Å; L51-F79 HydrophobicContact CD1-CE2 4.39Å; L51-F79 HydrophobicContact CD1-CG 4.36Å; L75-F79 HydrophobicContact CB-CD2 4.46Å; L75-F79 HydrophobicContact CD2-CE2 4.44Å; L75-F79 WeakPolarHBondContact O-CB 3.13Å; L75-F79 VanDerWaalsContact O-CD2 3.29Å; L75-F79 WeakPolarHBondContact O-CD2 3.35Å; L75-F79 PolarHBondContact O-N 3.49Å; F79-R82 PolarHBondContact O-N 2.86Å; F79-C83 PolarHBondContact O-N 3.17Å; F79-C83 PolarHBondContact O-SG 3.41Å
80S95.2Very high92.6Very high13 Ų1359.5 Ų59.59%0.09129%0.286CS..Hα-helixtrans-64.5-41.8178.2-62.30000112.5Y76 E77 W78 R82 C83 R84Y76-S80 WeakPolarHBondContact O-CB 3.37Å; Y76-S80 PolarHBondContact O-N 3.27Å; Y76-S80 PolarHBondContact O-OG 2.9Å; E77-S80 PolarHBondContact O-N 3.38Å; W78-S80 PolarHBondContact O-N 3.08Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-C83 WeakPolarHBondContact O-CB 3.49Å; S80-C83 PolarHBondContact O-N 3.38Å; S80-R84 WeakPolarHBondContact O-CG 3.33Å; S80-R84 PolarHBondContact O-N 3.26Å; S80-R84 VanDerWaalsContact O-N 3.14Å
81A95Very high92.3Very high44 Ų4456.3 Ų56.336%0.36428%0.277SS..Hα-helixtrans-62.7-41.2174.200000111.4E77 W78 R84 W85E77-A81 VanDerWaalsContact O-CB 3.3Å; E77-A81 WeakPolarHBondContact O-CB 3.39Å; E77-A81 PolarHBondContact O-N 3.48Å; W78-A81 PolarHBondContact O-N 3.35Å; A81-R84 PolarHBondContact O-N 3.27Å; A81-W85 PolarHBondContact O-N 2.89Å
82R93.4Very high92Very high51 Ų5161.1 Ų61.119%0.19230%0.299CS..Hα-helixtrans-68.1-37.1177.5-165.2168.1178.4162.7-6.2112.9A34 L37 D38 L44 W78 F79 S80 W85 K86A34-R82 PolarHBondContact O-NH1 3Å; A34-R82 PolarHBondContact O-NH2 3.3Å; L37-R82 PolarHBondContact O-NH2 3.32Å; D38-R82 IonicContact OD1-CZ 3.72Å; D38-R82 IonicContact OD1-NE 3.72Å; D38-R82 IonicContact OD1-NH2 2.85Å; D38-R82 PolarHBondContact OD1-NH2 2.96Å; L44-R82 HydrophobicContact CD1-CB 4.5Å; L44-R82 HydrophobicContact CD1-CG 3.97Å; L44-R82 HydrophobicContact CD2-CB 4.31Å; L44-R82 HydrophobicContact CD2-CG 4.08Å; W78-R82 VanDerWaalsContact CH2-NH1 3.27Å; W78-R82 WeakPolarHBondContact O-CB 3.36Å; W78-R82 PolarHBondContact O-N 2.88Å; F79-R82 PolarHBondContact O-N 2.86Å; S80-R82 VanDerWaalsContact C-N 3.32Å; R82-W85 PolarHBondContact O-N 3.29Å; R82-K86 WeakPolarHBondContact O-CB 3.29Å; R82-K86 PolarHBondContact O-N 3.13Å
83C92.9Very high91.5Very high15 Ų1569.5 Ų69.510%0.10133%0.331CS..Hα-helixtrans-54.5-56.1169.9-70.90000110.8L44 F79 S80 W85 K86 E87L44-C83 WeakPolarHBondContact CB-SG 3.39Å; F79-C83 PolarHBondContact O-N 3.17Å; F79-C83 PolarHBondContact O-SG 3.41Å; S80-C83 WeakPolarHBondContact O-CB 3.49Å; S80-C83 PolarHBondContact O-N 3.38Å; C83-W85 VanDerWaalsContact C-N 3.3Å; C83-W85 PolarHBondContact O-N 2.87Å; C83-K86 PolarHBondContact O-N 3.08Å; C83-K86 VanDerWaalsContact O-N 3.12Å; C83-E87 WeakPolarHBondContact O-CB 3.11Å; C83-E87 PolarHBondContact O-N 3.33Å
84R93.5Very high91.3Very high140 Ų14068.9 Ų68.953%0.52833%0.328SS..Hα-helixtrans-58.7-41.5-178.6-69.7-174.6-66.5-100.45.4112.1S80 A81 K88S80-R84 WeakPolarHBondContact O-CG 3.33Å; S80-R84 PolarHBondContact O-N 3.26Å; S80-R84 VanDerWaalsContact O-N 3.14Å; A81-R84 PolarHBondContact O-N 3.27Å; R84-K88 WeakPolarHBondContact O-CB 3.21Å; R84-K88 PolarHBondContact O-N 3.43Å; R84-K88 VanDerWaalsContact O-N 3.1Å
85W91.7Very high91.1Very high159 Ų15966.9 Ų66.960%0.60231%0.309SS*.Hα-helixtrans-63.9-45.7176.4179.687.7000111.8A81 R82 C83 K88 A89A81-W85 PolarHBondContact O-N 2.89Å; R82-W85 PolarHBondContact O-N 3.29Å; C83-W85 VanDerWaalsContact C-N 3.3Å; C83-W85 PolarHBondContact O-N 2.87Å; W85-K88 PolarHBondContact O-N 3.08Å; W85-A89 HydrophobicContact CH2-CB 4.5Å; W85-A89 WeakPolarHBondContact O-CB 3.26Å; W85-A89 PolarHBondContact O-N 3.31Å
86K90.1Very high91Very high20 Ų2071 Ų719%0.08733%0.33CS..Hα-helixtrans-65.1-42.9-179.2-169.3160.5-173.1148.90111.5D38 P39 H41 L44 R82 C83 K88 A89 L90D38-K86 IonicContact OD1-NZ 3.79Å; D38-K86 IonicContact OD2-NZ 2.77Å; D38-K86 PolarHBondContact OD2-NZ 3.39Å; P39-K86 PolarHBondContact O-NZ 3.2Å; H41-K86 HydrophobicContact CB-CD 4.29Å; H41-K86 HydrophobicContact CB-CG 4.47Å; L44-K86 HydrophobicContact CD1-CB 4.3Å; L44-K86 HydrophobicContact CD1-CD 3.76Å; R82-K86 WeakPolarHBondContact O-CB 3.29Å; R82-K86 PolarHBondContact O-N 3.13Å; C83-K86 PolarHBondContact O-N 3.08Å; C83-K86 VanDerWaalsContact O-N 3.12Å; K86-K88 PolarHBondContact O-N 2.86Å; K86-A89 PolarHBondContact O-N 3.39Å; K86-L90 HydrophobicContact CG-CD1 3.93Å; K86-L90 HydrophobicContact CG-CG 4.24Å; K86-L90 WeakPolarHBondContact O-CB 3.24Å; K86-L90 WeakPolarHBondContact O-CG 3.46Å; K86-L90 PolarHBondContact O-N 3.43Å
87E91.4Very high90.8Very high84 Ų8472 Ų7239%0.39334%0.343SS..Hα-helixtrans-56.7-47.2173.4-179.7174.7-174.200111.8C83 A89 L90 T91 L142C83-E87 WeakPolarHBondContact O-CB 3.11Å; C83-E87 PolarHBondContact O-N 3.33Å; E87-A89 PolarHBondContact O-N 2.93Å; E87-L90 PolarHBondContact O-N 3.28Å; E87-T91 WeakPolarHBondContact O-CG2 3.43Å; E87-T91 PolarHBondContact O-N 3.4Å; E87-T91 PolarHBondContact O-OG1 2.84Å; E87-L142 HydrophobicContact CB-CD1 4.34Å; E87-L142 HydrophobicContact CG-CD1 4.05Å; E87-L142 HydrophobicContact CG-CD2 3.88Å
88K91.3Very high90.7Very high132 Ų13268.9 Ų68.957%0.57433%0.329SS*.Hα-helixtrans-62.6-41175.3-172.1177.4-179.6179.20112.7R84 W85 K86 T91 Q92R84-K88 WeakPolarHBondContact O-CB 3.21Å; R84-K88 PolarHBondContact O-N 3.43Å; R84-K88 VanDerWaalsContact O-N 3.1Å; W85-K88 PolarHBondContact O-N 3.08Å; K86-K88 PolarHBondContact O-N 2.86Å; K88-T91 WeakPolarHBondContact CA-OG1 3.47Å; K88-T91 PolarHBondContact O-OG1 3.39Å; K88-Q92 VanDerWaalsContact O-CG 3.29Å; K88-Q92 WeakPolarHBondContact O-CG 3.38Å; K88-Q92 PolarHBondContact O-N 3.28Å
89A87.4Confident90.7Very high15 Ų1564.6 Ų64.612%0.12431%0.312CS..Hα-helixtrans-67.7-40.1179.100000112.3W85 K86 E87 Q92 R93W85-A89 HydrophobicContact CH2-CB 4.5Å; W85-A89 WeakPolarHBondContact O-CB 3.26Å; W85-A89 PolarHBondContact O-N 3.31Å; K86-A89 PolarHBondContact O-N 3.39Å; E87-A89 PolarHBondContact O-N 2.93Å; A89-Q92 PolarHBondContact O-N 3.33Å; A89-R93 WeakPolarHBondContact O-CG 3.41Å; A89-R93 PolarHBondContact O-N 3.11Å
90L86.6Confident90.7Very high15 Ų1566 Ų668%0.07933%0.327CS..Hα-helixtrans-69.2-40.9179.5-72.1172000112H41 K86 E87 Q92 R93 G94 L95 D138 L142H41-L90 HydrophobicContact CB-CD1 4.36Å; K86-L90 HydrophobicContact CG-CD1 3.93Å; K86-L90 HydrophobicContact CG-CG 4.24Å; K86-L90 WeakPolarHBondContact O-CB 3.24Å; K86-L90 WeakPolarHBondContact O-CG 3.46Å; K86-L90 PolarHBondContact O-N 3.43Å; E87-L90 PolarHBondContact O-N 3.28Å; L90-Q92 VanDerWaalsContact C-N 3.27Å; L90-Q92 PolarHBondContact O-N 3.5Å; L90-R93 PolarHBondContact O-N 2.78Å; L90-G94 PolarHBondContact O-N 3.39Å; L90-L95 HydrophobicContact CB-CD2 3.67Å; L90-D138 HydrophobicContact CD1-CB 3.91Å; L90-L142 HydrophobicContact CD1-CD1 4.04Å
91T83.6Confident90.7Very high77 Ų7770.7 Ų70.747%0.47235%0.347SS..Hα-helixtrans-63.3-32.7175.447.10000112.3E87 K88 L95E87-T91 WeakPolarHBondContact O-CG2 3.43Å; E87-T91 PolarHBondContact O-N 3.4Å; E87-T91 PolarHBondContact O-OG1 2.84Å; K88-T91 WeakPolarHBondContact CA-OG1 3.47Å; K88-T91 PolarHBondContact O-OG1 3.39Å; T91-L95 HydrophobicContact CG2-CD1 4.22Å
92Q85.1Confident90.8Very high144 Ų14470.1 Ų70.167%0.67334%0.337SS*.Hα-helixtrans-74.8-33.8175.7-72.5176.7-8.900114.3K88 A89 L90 G94K88-Q92 VanDerWaalsContact O-CG 3.29Å; K88-Q92 WeakPolarHBondContact O-CG 3.38Å; K88-Q92 PolarHBondContact O-N 3.28Å; A89-Q92 PolarHBondContact O-N 3.33Å; L90-Q92 VanDerWaalsContact C-N 3.27Å; L90-Q92 PolarHBondContact O-N 3.5Å; Q92-G94 VanDerWaalsContact C-N 3.34Å
93R81.8Confident91Very high177 Ų17767.7 Ų67.767%0.66833%0.328SS*.Hα-helixtrans-83.3-7.4-177-71.8178.7-178.6178.40.4114.2A89 L90A89-R93 WeakPolarHBondContact O-CG 3.41Å; A89-R93 PolarHBondContact O-N 3.11Å; L90-R93 PolarHBondContact O-N 2.78Å
94G88.7Confident91.2Very high29 Ų2971.3 Ų71.330%0.29934%0.344SS..  trans84.689.9-177.700000112.1L90 Q92 L96 V97 Q98L90-G94 PolarHBondContact O-N 3.39Å; Q92-G94 VanDerWaalsContact C-N 3.34Å; G94-L96 VanDerWaalsContact C-N 3.26Å; G94-L96 PolarHBondContact O-N 2.91Å; G94-L96 VanDerWaalsContact O-N 3.16Å; G94-V97 PolarHBondContact O-N 2.87Å; G94-V97 VanDerWaalsContact O-N 3.09Å; G94-Q98 PolarHBondContact O-N 2.98Å
95L90.5Very high91.4Very high22 Ų2270.4 Ų70.412%0.11535%0.346CS..Hα-helixtrans-47.7-44.3179.9-72.8167.9000113.7L90 T91 V97 Q98 A99 A139 L142L90-L95 HydrophobicContact CB-CD2 3.67Å; T91-L95 HydrophobicContact CG2-CD1 4.22Å; L95-V97 PolarHBondContact O-N 3.01Å; L95-Q98 PolarHBondContact O-N 3.47Å; L95-A99 WeakPolarHBondContact O-CB 3.31Å; L95-A99 PolarHBondContact O-N 3.01Å; L95-A139 HydrophobicContact CB-CB 3.95Å; L95-L142 HydrophobicContact CD1-CB 3.82Å; L95-L142 HydrophobicContact CD2-CB 4.36Å; L95-L142 HydrophobicContact CD2-CD1 4.34Å
96L91.7Very high91.7Very high92 Ų9262.9 Ų62.948%0.48232%0.317SS..Hα-helixtrans-67.3-35.7-176.9-70.1-177000113.4G94 G100 A147 L151G94-L96 VanDerWaalsContact C-N 3.26Å; G94-L96 PolarHBondContact O-N 2.91Å; G94-L96 VanDerWaalsContact O-N 3.16Å; L96-G100 PolarHBondContact O-N 2.89Å; L96-A147 HydrophobicContact CD1-CB 4.21Å; L96-A147 HydrophobicContact CD2-CB 4.11Å; L96-L151 HydrophobicContact CD2-CD1 3.6Å; L96-L151 HydrophobicContact CD2-CD2 3.96Å; L96-L151 HydrophobicContact CD2-CG 3.72Å
97V92.5Very high92.1Very high88 Ų8862.1 Ų62.153%0.53331%0.314SS..Hα-helixtrans-66.4-49.3179177.50000109.2G94 L95 A99 G100 E101G94-V97 PolarHBondContact O-N 2.87Å; G94-V97 VanDerWaalsContact O-N 3.09Å; L95-V97 PolarHBondContact O-N 3.01Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 3.43Å; V97-G100 PolarHBondContact O-N 3.17Å; V97-E101 WeakPolarHBondContact O-CG 3.49Å; V97-E101 PolarHBondContact O-N 3.32Å
98Q92.8Very high92.4Very high39 Ų3961.7 Ų61.718%0.18232%0.317CS..Hα-helixtrans-64.8-36.8179.3-60.2-171.1-41.700112.6G94 L95 Q102 A135G94-Q98 PolarHBondContact O-N 2.98Å; L95-Q98 PolarHBondContact O-N 3.47Å; Q98-Q102 WeakPolarHBondContact O-CB 3.38Å; Q98-Q102 PolarHBondContact O-N 2.92Å; Q98-A135 HydrophobicContact CB-CB 3.85Å
99A95Very high92.6Very high0 Ų060.5 Ų60.50%031%0.309CS..Hα-helixtrans-62.7-44.4173.500000112.1L95 V97 S103 F136 A139 L151L95-A99 WeakPolarHBondContact O-CB 3.31Å; L95-A99 PolarHBondContact O-N 3.01Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 3.43Å; A99-S103 WeakPolarHBondContact O-CB 3.37Å; A99-S103 PolarHBondContact O-N 3.43Å; A99-F136 HydrophobicContact CB-CB 4.32Å; A99-F136 HydrophobicContact CB-CD2 4.16Å; A99-A139 HydrophobicContact CB-CB 3.71Å; A99-L151 HydrophobicContact CB-CD1 4.13Å; A99-L151 HydrophobicContact CB-CD2 4Å
100G95Very high93Very high30 Ų3060.1 Ų60.131%0.30930%0.304SS..Hα-helixtrans-62.2-48.7176.200000112.2L96 V97 Q102 S103 E104L96-G100 PolarHBondContact O-N 2.89Å; V97-G100 PolarHBondContact O-N 3.17Å; G100-Q102 PolarHBondContact O-N 3.18Å; G100-S103 WeakPolarHBondContact O-CB 3.49Å; G100-S103 PolarHBondContact O-N 3.32Å; G100-E104 WeakPolarHBondContact O-CG 3.22Å; G100-E104 PolarHBondContact O-N 3.36Å
101E95.4Very high93.5Very high111 Ų11167 Ų6752%0.51933%0.329SS..Hα-helixtrans-57.4-46.8177-73.2175.3-179.400112.1V97 E104 Q105V97-E101 WeakPolarHBondContact O-CG 3.49Å; V97-E101 PolarHBondContact O-N 3.32Å; E101-E104 PolarHBondContact O-N 2.91Å; E101-Q105 VanDerWaalsContact O-CG 3.27Å; E101-Q105 WeakPolarHBondContact O-CG 2.92Å; E101-Q105 PolarHBondContact O-N 3.11Å; E101-Q105 VanDerWaalsContact O-N 3.11Å
102Q96.3Very high94Very high32 Ų3267.4 Ų67.415%0.1534%0.341CS..Hα-helixtrans-64.1-43.1178-165.6-158.94.800111.6Q98 G100 Q105 I106 E130 A135 F136Q98-Q102 WeakPolarHBondContact O-CB 3.38Å; Q98-Q102 PolarHBondContact O-N 2.92Å; G100-Q102 PolarHBondContact O-N 3.18Å; Q102-Q105 PolarHBondContact O-N 3.04Å; Q102-I106 HydrophobicContact CG-CD1 3.81Å; Q102-I106 WeakPolarHBondContact O-CG1 3.29Å; Q102-I106 PolarHBondContact O-N 2.62Å; Q102-E130 PolarHBondContact NE2-O 3.47Å; Q102-A135 HydrophobicContact CB-CB 4.42Å; Q102-F136 VanDerWaalsContact OE1-CB 3.31Å
103S97.7Very high94.4Very high1 Ų161.4 Ų61.41%0.00732%0.317CS..Hα-helixtrans-56-52177.6-1720000111A99 G100 Q105 I106 F107A99-S103 WeakPolarHBondContact O-CB 3.37Å; A99-S103 PolarHBondContact O-N 3.43Å; G100-S103 WeakPolarHBondContact O-CB 3.49Å; G100-S103 PolarHBondContact O-N 3.32Å; S103-Q105 PolarHBondContact O-N 3.03Å; S103-I106 PolarHBondContact O-N 3.38Å; S103-F107 VanDerWaalsContact O-CD2 3.27Å; S103-F107 WeakPolarHBondContact O-CD2 3.36Å; S103-F107 PolarHBondContact O-N 3.01Å
104E97.4Very high94.9Very high90 Ų9055.8 Ų55.842%0.42131%0.309SS..Hα-helixtrans-60.6-41.9179.1-69.5-52.8131.400113G100 E101 T108 K158G100-E104 WeakPolarHBondContact O-CG 3.22Å; G100-E104 PolarHBondContact O-N 3.36Å; E101-E104 PolarHBondContact O-N 2.91Å; E104-T108 VanDerWaalsContact O-CB 3.28Å; E104-T108 WeakPolarHBondContact O-CB 3.37Å; E104-T108 PolarHBondContact O-N 3.41Å; E104-T108 PolarHBondContact O-OG1 3.49Å; E104-K158 IonicContact OE1-NZ 2.65Å; E104-K158 PolarHBondContact OE1-NZ 3.48Å
105Q97.8Very high95.1Very high122 Ų12254.8 Ų54.857%0.5730%0.296SS*.Hα-helixtrans-62.7-44.1177.3-71.8172.712.900112.2E101 Q102 S103 R109E101-Q105 VanDerWaalsContact O-CG 3.27Å; E101-Q105 WeakPolarHBondContact O-CG 2.92Å; E101-Q105 PolarHBondContact O-N 3.11Å; E101-Q105 VanDerWaalsContact O-N 3.11Å; Q102-Q105 PolarHBondContact O-N 3.04Å; S103-Q105 PolarHBondContact O-N 3.03Å; Q105-R109 WeakPolarHBondContact O-CG 3.42Å; Q105-R109 PolarHBondContact O-N 3.31Å; Q105-R109 VanDerWaalsContact O-N 3.13Å
106I97.7Very high95.1Very high1 Ų156.7 Ų56.71%0.00531%0.306CS..Hα-helixtrans-67-46179.3-73.9167.5000111Q102 S103 T108 R109 W110 V127 E130 L131Q102-I106 HydrophobicContact CG-CD1 3.81Å; Q102-I106 WeakPolarHBondContact O-CG1 3.29Å; Q102-I106 PolarHBondContact O-N 2.62Å; S103-I106 PolarHBondContact O-N 3.38Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 2.97Å; I106-R109 PolarHBondContact O-N 3.13Å; I106-R109 VanDerWaalsContact O-N 3.16Å; I106-W110 PolarHBondContact O-N 2.82Å; I106-V127 HydrophobicContact CG2-CB 4.11Å; I106-V127 HydrophobicContact CG2-CG1 3.61Å; I106-V127 HydrophobicContact CG2-CG2 3.92Å; I106-E130 HydrophobicContact CD1-CB 3.76Å; I106-E130 HydrophobicContact CG1-CB 4.48Å; I106-L131 HydrophobicContact CD1-CD2 3.53Å; I106-L131 HydrophobicContact CD1-CG 3.69Å
107F97.7Very high95.1Very high3 Ų353.2 Ų53.21%0.01329%0.291CS..Hα-helixtrans-67.1-32.3178.9-83.1-73.1000112.9S103 W110 R111 V127 L131 L155 K158 A159 H162S103-F107 VanDerWaalsContact O-CD2 3.27Å; S103-F107 WeakPolarHBondContact O-CD2 3.36Å; S103-F107 PolarHBondContact O-N 3.01Å; F107-W110 AromaticContact CD1-CE3 3.82Å; F107-W110 HydrophobicContact CD1-CE3 3.82Å; F107-W110 HydrophobicContact CD1-CZ3 4.39Å; F107-W110 AromaticContact CE1-CE3 3.57Å; F107-W110 HydrophobicContact CE1-CE3 3.57Å; F107-W110 AromaticContact CE1-CZ3 3.68Å; F107-W110 HydrophobicContact CE1-CZ3 3.68Å; F107-W110 HydrophobicContact CZ-CZ3 4.41Å; F107-W110 PolarHBondContact O-N 3.33Å; F107-R111 PolarHBondContact O-N 2.77Å; F107-V127 HydrophobicContact CZ-CG1 4.4Å; F107-L131 HydrophobicContact CE2-CD1 4.48Å; F107-L155 HydrophobicContact CE2-CD1 3.76Å; F107-L155 HydrophobicContact CZ-CD1 3.82Å; F107-K158 HydrophobicContact CD1-CB 4.34Å; F107-K158 HydrophobicContact CD2-CB 4.27Å; F107-K158 HydrophobicContact CD2-CD 4.16Å; F107-K158 HydrophobicContact CE1-CB 3.85Å; F107-K158 HydrophobicContact CE2-CB 3.8Å; F107-K158 HydrophobicContact CE2-CD 4.18Å; F107-K158 HydrophobicContact CZ-CB 3.57Å; F107-A159 HydrophobicContact CE1-CB 4.33Å; F107-A159 HydrophobicContact CZ-CB 4.04Å; F107-H162 AromaticContact CD1-CD2 3.38Å; F107-H162 WeakPolarHBondContact CD1-CD2 3.5Å; F107-H162 AromaticContact CD1-CG 3.88Å; F107-H162 AromaticContact CD1-NE2 3.64Å; F107-H162 HydrophobicContact CE1-CB 4.42Å; F107-H162 AromaticContact CE1-CD2 3.8Å
108T97.6Very high95.1Very high76 Ų7650.7 Ų50.747%0.46627%0.272SS..Hα-helixtrans-61.6-44.7170.7-61.80000111.2E104 I106 W110 R111 A112E104-T108 VanDerWaalsContact O-CB 3.28Å; E104-T108 WeakPolarHBondContact O-CB 3.37Å; E104-T108 PolarHBondContact O-N 3.41Å; E104-T108 PolarHBondContact O-OG1 3.49Å; I106-T108 VanDerWaalsContact C-N 3.31Å; I106-T108 PolarHBondContact O-N 2.97Å; T108-W110 PolarHBondContact O-N 3.17Å; T108-R111 PolarHBondContact O-N 3.2Å; T108-A112 WeakPolarHBondContact O-CB 3.09Å; T108-A112 PolarHBondContact O-N 2.87Å
109R97.1Very high95.1Very high106 Ų10649 Ų4940%0.427%0.265SS..Hα-helixtrans-64.9-37.4174.8-72.1-173-65.2159.42112.6Q105 I106 A112 G113 A114 Y115 E130Q105-R109 WeakPolarHBondContact O-CG 3.42Å; Q105-R109 PolarHBondContact O-N 3.31Å; Q105-R109 VanDerWaalsContact O-N 3.13Å; I106-R109 PolarHBondContact O-N 3.13Å; I106-R109 VanDerWaalsContact O-N 3.16Å; R109-A112 PolarHBondContact O-N 3.41Å; R109-G113 PolarHBondContact O-N 3.47Å; R109-A114 HydrophobicContact CB-CB 4.02Å; R109-A114 WeakPolarHBondContact O-CB 3.38Å; R109-A114 PolarHBondContact O-N 2.99Å; R109-Y115 HydrophobicContact CB-CE2 4.29Å; R109-E130 IonicContact CZ-OE2 3.41Å; R109-E130 IonicContact NH1-OE2 3.33Å; R109-E130 PolarHBondContact NH1-OE2 3.13Å; R109-E130 IonicContact NH2-OE1 3.94Å; R109-E130 IonicContact NH2-OE2 2.66Å; R109-E130 PolarHBondContact NH2-OE2 3.1Å
110W95.9Very high95.1Very high7 Ų750.1 Ų50.13%0.02727%0.27CS..Hα-helixtrans-61.1-50.7173.7-171.5-11.9000110.7I106 F107 T108 A112 G113 Y115 R123 C124 V127 A159 H162 L163I106-W110 PolarHBondContact O-N 2.82Å; F107-W110 AromaticContact CD1-CE3 3.82Å; F107-W110 HydrophobicContact CD1-CE3 3.82Å; F107-W110 HydrophobicContact CD1-CZ3 4.39Å; F107-W110 AromaticContact CE1-CE3 3.57Å; F107-W110 HydrophobicContact CE1-CE3 3.57Å; F107-W110 AromaticContact CE1-CZ3 3.68Å; F107-W110 HydrophobicContact CE1-CZ3 3.68Å; F107-W110 HydrophobicContact CZ-CZ3 4.41Å; F107-W110 PolarHBondContact O-N 3.33Å; T108-W110 PolarHBondContact O-N 3.17Å; W110-A112 PolarHBondContact O-N 3.21Å; W110-G113 PolarHBondContact O-N 2.9Å; W110-Y115 HydrophobicContact CB-CD2 3.77Å; W110-Y115 HydrophobicContact CB-CE2 3.85Å; W110-Y115 HydrophobicContact CG-CD2 4.02Å; W110-R123 HydrophobicContact CZ2-CB 4.4Å; W110-C124 HydrophobicContact CH2-CB 3.69Å; W110-C124 HydrophobicContact CZ2-CB 4.27Å; W110-C124 HydrophobicContact CZ3-CB 4.49Å; W110-V127 HydrophobicContact CB-CG2 4.33Å; W110-V127 HydrophobicContact CD2-CG2 3.98Å; W110-V127 HydrophobicContact CE3-CB 3.96Å; W110-V127 HydrophobicContact CE3-CG1 3.74Å; W110-V127 HydrophobicContact CE3-CG2 3.57Å; W110-V127 HydrophobicContact CG-CG2 4.33Å; W110-V127 HydrophobicContact CZ3-CB 4.07Å; W110-V127 HydrophobicContact CZ3-CG1 3.82Å; W110-V127 HydrophobicContact CZ3-CG2 4.15Å; W110-A159 HydrophobicContact CZ3-CB 4.34Å; W110-H162 HydrophobicContact CD2-CB 4.11Å; W110-H162 HydrophobicContact CE3-CB 4.15Å; W110-H162 HydrophobicContact CH2-CB 4.14Å; W110-H162 HydrophobicContact CZ2-CB 4.06Å; W110-H162 HydrophobicContact CZ3-CB 4.2Å; W110-L163 HydrophobicContact CH2-CB 4.48Å; W110-L163 HydrophobicContact CZ2-CB 4.45Å; W110-L163 HydrophobicContact CZ2-CD1 4.44Å
111R95.3Very high95.2Very high160 Ų16048.7 Ų48.760%0.60426%0.255SS*.Hα-helixtrans-57.7-36.3177.4-160.7177.1-65.1124.75.8112.7F107 T108 G113 H162F107-R111 PolarHBondContact O-N 2.77Å; T108-R111 PolarHBondContact O-N 3.2Å; R111-G113 PolarHBondContact O-N 3.46Å; R111-H162 PolarHBondContact NH2-CE1 3.33Å; R111-H162 PolarHBondContact NH2-NE2 2.9Å
112A95.2Very high95.2Very high86 Ų8643.4 Ų43.471%0.71123%0.231SC*.THydrogen-bonded Turntrans-73.4-117600000114.2T108 R109 W110T108-A112 WeakPolarHBondContact O-CB 3.09Å; T108-A112 PolarHBondContact O-N 2.87Å; R109-A112 PolarHBondContact O-N 3.41Å; W110-A112 PolarHBondContact O-N 3.21Å
113G92.7Very high95.1Very high18 Ų1843.5 Ų43.519%0.18623%0.23CC..THydrogen-bonded Turntrans83.414.2176.200000115.1R109 W110 R111 Y115 N116R109-G113 PolarHBondContact O-N 3.47Å; W110-G113 PolarHBondContact O-N 2.9Å; R111-G113 PolarHBondContact O-N 3.46Å; G113-Y115 PolarHBondContact O-N 2.95Å; G113-N116 VanDerWaalsContact CA-ND2 3.33Å; G113-N116 WeakPolarHBondContact CA-ND2 3.4Å; G113-N116 VanDerWaalsContact O-CB 3.29Å; G113-N116 WeakPolarHBondContact O-CB 3.5Å; G113-N116 VanDerWaalsContact O-CG 3.27Å; G113-N116 PolarHBondContact O-N 3.3Å; G113-N116 PolarHBondContact O-ND2 3.29Å
114A92.6Very high95.1Very high59 Ų5943.4 Ų43.449%0.48823%0.229SC..THydrogen-bonded Turntrans-58.2-24.1-178.100000113.7R109R109-A114 HydrophobicContact CB-CB 4.02Å; R109-A114 WeakPolarHBondContact O-CB 3.38Å; R109-A114 PolarHBondContact O-N 2.99Å
115Y92.8Very high95.2Very high8 Ų839.1 Ų39.13%0.03121%0.209CC..THydrogen-bonded Turntrans-1017.9-180-50.8-69.6000113.3R109 W110 G113 A117 W118 R123 I126 V127 E130R109-Y115 HydrophobicContact CB-CE2 4.29Å; W110-Y115 HydrophobicContact CB-CD2 3.77Å; W110-Y115 HydrophobicContact CB-CE2 3.85Å; W110-Y115 HydrophobicContact CG-CD2 4.02Å; G113-Y115 PolarHBondContact O-N 2.95Å; Y115-A117 PolarHBondContact O-N 2.88Å; Y115-W118 HydrophobicContact CD1-CE3 4.48Å; Y115-W118 HydrophobicContact CD1-CZ3 4.13Å; Y115-W118 PolarHBondContact O-N 3.23Å; Y115-W118 VanDerWaalsContact O-N 3.09Å; Y115-R123 VanDerWaalsContact O-CG 3.26Å; Y115-R123 WeakPolarHBondContact O-CG 3.36Å; Y115-I126 HydrophobicContact CD1-CB 4.43Å; Y115-I126 HydrophobicContact CD1-CG2 3.75Å; Y115-I126 HydrophobicContact CE1-CG2 3.71Å; Y115-V127 HydrophobicContact CD2-CG2 3.59Å; Y115-V127 HydrophobicContact CE1-CG2 4.36Å; Y115-V127 HydrophobicContact CE2-CG2 3.36Å; Y115-V127 HydrophobicContact CG-CG2 4.23Å; Y115-E130 WeakPolarHBondContact CE1-OE1 3.36Å; Y115-E130 VanDerWaalsContact CZ-OE1 3.29Å; Y115-E130 PolarHBondContact OH-OE1 2.88Å
116N91.8Very high95.1Very high62 Ų6233.6 Ų33.633%0.33218%0.184SC..THydrogen-bonded Turntrans-63.4-18.4-170.5-77.5-11.9000114.5G113 W118 R123 S184 V186G113-N116 VanDerWaalsContact CA-ND2 3.33Å; G113-N116 WeakPolarHBondContact CA-ND2 3.4Å; G113-N116 VanDerWaalsContact O-CB 3.29Å; G113-N116 WeakPolarHBondContact O-CB 3.5Å; G113-N116 VanDerWaalsContact O-CG 3.27Å; G113-N116 PolarHBondContact O-N 3.3Å; G113-N116 PolarHBondContact O-ND2 3.29Å; N116-W118 PolarHBondContact O-N 3.02Å; N116-R123 PolarHBondContact O-NH2 3.49Å; N116-R123 VanDerWaalsContact O-NH2 3.14Å; N116-R123 PolarHBondContact OD1-NH1 2.76Å; N116-R123 VanDerWaalsContact OD1-NH1 3.08Å; N116-S184 VanDerWaalsContact O-CB 3.24Å; N116-S184 WeakPolarHBondContact O-CB 3.28Å; N116-S184 PolarHBondContact O-OG 2.9Å; N116-V186 HydrophobicContact CB-CG2 4.11Å
117A90.3Very high95.1Very high19 Ų1933.6 Ų33.616%0.15718%0.183CC..THydrogen-bonded Turntrans-60.5-23.4174.200000114.5Y115 S184 T188 H192Y115-A117 PolarHBondContact O-N 2.88Å; A117-S184 WeakPolarHBondContact O-CB 3.15Å; A117-T188 HydrophobicContact CB-CG2 3.83Å; A117-H192 WeakPolarHBondContact CB-CD2 3.47Å
118W92.2Very high95.1Very high34 Ų3433.4 Ų33.413%0.12918%0.183CC..SBendtrans-100.3160.4-179.4-62.6-85.6000112.7Y115 N116 R123 I126 H192 F195Y115-W118 HydrophobicContact CD1-CE3 4.48Å; Y115-W118 HydrophobicContact CD1-CZ3 4.13Å; Y115-W118 PolarHBondContact O-N 3.23Å; Y115-W118 VanDerWaalsContact O-N 3.09Å; N116-W118 PolarHBondContact O-N 3.02Å; W118-R123 HydrophobicContact CB-CG 4.28Å; W118-R123 PolarHBondContact O-NE 2.74Å; W118-R123 PolarHBondContact O-NH2 3.07Å; W118-I126 HydrophobicContact CB-CD1 4.34Å; W118-I126 HydrophobicContact CD2-CD1 3.11Å; W118-I126 HydrophobicContact CE3-CD1 3.47Å; W118-I126 VanDerWaalsContact CE3-CD1 3.47Å; W118-I126 HydrophobicContact CG-CD1 3.5Å; W118-I126 VanDerWaalsContact CG-CD1 3.5Å; W118-I126 HydrophobicContact CH2-CD1 4.01Å; W118-I126 HydrophobicContact CZ2-CD1 3.66Å; W118-I126 HydrophobicContact CZ3-CD1 3.92Å; W118-H192 AromaticContact CE2-CD2 3.75Å; W118-H192 AromaticContact CH2-CD2 3.76Å; W118-H192 HydrophobicContact CZ2-CB 4.33Å; W118-H192 AromaticContact CZ2-CD2 3.43Å; W118-H192 VanDerWaalsContact CZ2-CD2 3.43Å; W118-H192 WeakPolarHBondContact CZ2-CD2 3.38Å; W118-H192 PolarHBondContact NE1-O 3.1Å; W118-F195 AromaticContact CZ2-CD1 3.73Å; W118-F195 HydrophobicContact CZ2-CD1 3.73Å; W118-F195 HydrophobicContact CZ2-CE1 4.17Å
119S93.1Very high95.1Very high5 Ų529.9 Ų29.94%0.03516%0.161CC..  trans-60.3157.816961.40000110.5G122 R123 A182S119-G122 CarbonylContact O-C 3.29Å; S119-G122 VanDerWaalsContact O-CA 3.31Å; S119-G122 WeakPolarHBondContact O-CA 3.43Å; S119-G122 PolarHBondContact O-N 2.91Å; S119-R123 WeakPolarHBondContact O-CG 3.13Å; S119-R123 PolarHBondContact O-N 2.65Å; S119-A182 WeakPolarHBondContact CB-O 3.44Å
120L95.6Very high95Very high22 Ų2227.7 Ų27.712%0.11516%0.155CC..Hα-helixtrans-47.5-51.3-177-62.2-174.2000114.6G122 R123 C124 L163 I167 W180L120-G122 VanDerWaalsContact C-N 3.34Å; L120-G122 PolarHBondContact O-N 3.29Å; L120-R123 WeakPolarHBondContact O-CB 3.46Å; L120-R123 PolarHBondContact O-N 2.97Å; L120-C124 PolarHBondContact O-N 2.97Å; L120-L163 HydrophobicContact CB-CD1 3.87Å; L120-L163 VanDerWaalsContact O-CD1 3.31Å; L120-L163 WeakPolarHBondContact O-CD1 3.46Å; L120-I167 HydrophobicContact CD1-CB 3.71Å; L120-I167 HydrophobicContact CD1-CD1 4.11Å; L120-I167 HydrophobicContact CD1-CG1 4.02Å; L120-W180 HydrophobicContact CB-CE3 4.26Å; L120-W180 HydrophobicContact CD1-CE3 4Å; L120-W180 HydrophobicContact CD1-CZ3 4.21Å
121P96.6Very high95.1Very high0 Ų027.3 Ų27.30%015%0.154CC..Hα-helixtrans-70.9-29.3175.728.6-34.9000113.1R123 C124 F125 W180 F181 V214 L234P121-R123 VanDerWaalsContact C-N 3.31Å; P121-R123 PolarHBondContact O-N 3.48Å; P121-C124 PolarHBondContact O-N 3.3Å; P121-F125 WeakPolarHBondContact O-CB 3.21Å; P121-F125 PolarHBondContact O-N 3.32Å; P121-W180 WeakPolarHBondContact CD-O 3.39Å; P121-F181 HydrophobicContact CG-CD2 3.96Å; P121-F181 HydrophobicContact CG-CE2 3.84Å; P121-F181 HydrophobicContact CG-CG 4.41Å; P121-F181 HydrophobicContact CG-CZ 4.19Å; P121-V214 HydrophobicContact CB-CG1 4.05Å; P121-V214 HydrophobicContact CB-CG2 3.62Å; P121-V214 HydrophobicContact CG-CG1 4.41Å; P121-V214 HydrophobicContact CG-CG2 4.1Å; P121-L234 HydrophobicContact CB-CD2 3.8Å
122G95.9Very high95.1Very high0 Ų020 Ų200%013%0.126CC..Hα-helixtrans-62.2-38.3173.100000112.4S119 L120 F125 I126S119-G122 CarbonylContact O-C 3.29Å; S119-G122 VanDerWaalsContact O-CA 3.31Å; S119-G122 WeakPolarHBondContact O-CA 3.43Å; S119-G122 PolarHBondContact O-N 2.91Å; L120-G122 VanDerWaalsContact C-N 3.34Å; L120-G122 PolarHBondContact O-N 3.29Å; G122-F125 PolarHBondContact O-N 3.35Å; G122-I126 WeakPolarHBondContact O-CG1 3.48Å; G122-I126 PolarHBondContact O-N 2.94Å
123R95.2Very high95.1Very high34 Ų3420 Ų2013%0.12811%0.108CC..Hα-helixtrans-58.4-50.4172.6-58.5-179-169.8179.5-2.3110.9W110 Y115 N116 W118 S119 L120 P121 I126 V127W110-R123 HydrophobicContact CZ2-CB 4.4Å; Y115-R123 VanDerWaalsContact O-CG 3.26Å; Y115-R123 WeakPolarHBondContact O-CG 3.36Å; N116-R123 PolarHBondContact O-NH2 3.49Å; N116-R123 VanDerWaalsContact O-NH2 3.14Å; N116-R123 PolarHBondContact OD1-NH1 2.76Å; N116-R123 VanDerWaalsContact OD1-NH1 3.08Å; W118-R123 HydrophobicContact CB-CG 4.28Å; W118-R123 PolarHBondContact O-NE 2.74Å; W118-R123 PolarHBondContact O-NH2 3.07Å; S119-R123 WeakPolarHBondContact O-CG 3.13Å; S119-R123 PolarHBondContact O-N 2.65Å; L120-R123 WeakPolarHBondContact O-CB 3.46Å; L120-R123 PolarHBondContact O-N 2.97Å; P121-R123 VanDerWaalsContact C-N 3.31Å; P121-R123 PolarHBondContact O-N 3.48Å; R123-I126 PolarHBondContact O-N 2.92Å; R123-V127 WeakPolarHBondContact O-CG2 3.46Å; R123-V127 PolarHBondContact O-N 3.13Å; R123-V127 VanDerWaalsContact O-N 3.08Å
124C97.7Very high95.1Very high0 Ų020 Ų200%011%0.108CC..Hα-helixtrans-62.9-45.2180-170.10000111W110 L120 P121 I126 V127 L128 L163 M238W110-C124 HydrophobicContact CH2-CB 3.69Å; W110-C124 HydrophobicContact CZ2-CB 4.27Å; W110-C124 HydrophobicContact CZ3-CB 4.49Å; L120-C124 PolarHBondContact O-N 2.97Å; P121-C124 PolarHBondContact O-N 3.3Å; C124-I126 PolarHBondContact O-N 2.84Å; C124-V127 PolarHBondContact O-N 3.39Å; C124-L128 WeakPolarHBondContact O-CG 3.31Å; C124-L128 PolarHBondContact O-N 3.49Å; C124-L163 HydrophobicContact CB-CD1 4.46Å; C124-M238 HydrophobicContact CB-CE 3.66Å; C124-M238 HydrophobicContact CB-SD 4.4Å; C124-M238 WeakPolarHBondContact SG-CE 3.24Å
125F97.8Very high95.1Very high0 Ų018.3 Ų18.30%09%0.094CC..Hα-helixtrans-56.3-47.2176.9179.8-94000112.4P121 G122 V127 L128 E129 L196 L199 W202 T203 C211 V214 T215 I242P121-F125 WeakPolarHBondContact O-CB 3.21Å; P121-F125 PolarHBondContact O-N 3.32Å; G122-F125 PolarHBondContact O-N 3.35Å; F125-V127 PolarHBondContact O-N 3.11Å; F125-L128 PolarHBondContact O-N 3.17Å; F125-E129 HydrophobicContact CD1-CG 4.19Å; F125-E129 HydrophobicContact CE1-CG 3.64Å; F125-E129 HydrophobicContact CE2-CG 4.23Å; F125-E129 HydrophobicContact CZ-CG 3.65Å; F125-E129 PolarHBondContact O-N 3.38Å; F125-L196 HydrophobicContact CD1-CD1 3.63Å; F125-L196 HydrophobicContact CE1-CD1 4.26Å; F125-L196 HydrophobicContact CG-CD1 4.48Å; F125-L199 HydrophobicContact CD1-CD2 4.3Å; F125-L199 HydrophobicContact CE1-CB 4.33Å; F125-L199 HydrophobicContact CE1-CD2 3.89Å; F125-L199 HydrophobicContact CE1-CG 3.91Å; F125-W202 HydrophobicContact CE2-CZ2 4.12Å; F125-W202 HydrophobicContact CZ-CZ2 4.27Å; F125-T203 HydrophobicContact CE2-CG2 4.43Å; F125-C211 HydrophobicContact CD2-CB 3.95Å; F125-C211 HydrophobicContact CE2-CB 3.72Å; F125-V214 HydrophobicContact CB-CG1 4Å; F125-T215 HydrophobicContact CD1-CG2 3.59Å; F125-T215 HydrophobicContact CD2-CG2 4.13Å; F125-T215 HydrophobicContact CE1-CG2 3.41Å; F125-T215 VanDerWaalsContact CE1-CG2 3.41Å; F125-T215 HydrophobicContact CE2-CG2 4Å; F125-T215 HydrophobicContact CG-CG2 3.95Å; F125-T215 HydrophobicContact CZ-CG2 3.64Å; F125-I242 HydrophobicContact CD2-CD1 3.87Å; F125-I242 HydrophobicContact CE2-CD1 4.04Å; F125-I242 HydrophobicContact CE2-CG1 4.43Å
126I96.6Very high95.2Very high6 Ų618 Ų183%0.0319%0.092CC..Hα-helixtrans-63.1-44.4179.3-69.7166.1000111.4Y115 W118 G122 R123 C124 L128 E129 E130 L196 L199Y115-I126 HydrophobicContact CD1-CB 4.43Å; Y115-I126 HydrophobicContact CD1-CG2 3.75Å; Y115-I126 HydrophobicContact CE1-CG2 3.71Å; W118-I126 HydrophobicContact CB-CD1 4.34Å; W118-I126 HydrophobicContact CD2-CD1 3.11Å; W118-I126 HydrophobicContact CE3-CD1 3.47Å; W118-I126 VanDerWaalsContact CE3-CD1 3.47Å; W118-I126 HydrophobicContact CG-CD1 3.5Å; W118-I126 VanDerWaalsContact CG-CD1 3.5Å; W118-I126 HydrophobicContact CH2-CD1 4.01Å; W118-I126 HydrophobicContact CZ2-CD1 3.66Å; W118-I126 HydrophobicContact CZ3-CD1 3.92Å; G122-I126 WeakPolarHBondContact O-CG1 3.48Å; G122-I126 PolarHBondContact O-N 2.94Å; R123-I126 PolarHBondContact O-N 2.92Å; C124-I126 PolarHBondContact O-N 2.84Å; I126-L128 VanDerWaalsContact C-N 3.31Å; I126-L128 PolarHBondContact O-N 2.83Å; I126-E129 PolarHBondContact O-N 2.67Å; I126-E130 PolarHBondContact O-N 3.38Å; I126-L196 HydrophobicContact CD1-CD1 4.14Å; I126-L196 HydrophobicContact CG1-CD1 3.98Å; I126-L199 HydrophobicContact CG1-CD2 4.09Å
127V97.7Very high95.4Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-57.7-45.8175.81580000111.3I106 F107 W110 Y115 R123 C124 F125 E130 L131I106-V127 HydrophobicContact CG2-CB 4.11Å; I106-V127 HydrophobicContact CG2-CG1 3.61Å; I106-V127 HydrophobicContact CG2-CG2 3.92Å; F107-V127 HydrophobicContact CZ-CG1 4.4Å; W110-V127 HydrophobicContact CB-CG2 4.33Å; W110-V127 HydrophobicContact CD2-CG2 3.98Å; W110-V127 HydrophobicContact CE3-CB 3.96Å; W110-V127 HydrophobicContact CE3-CG1 3.74Å; W110-V127 HydrophobicContact CE3-CG2 3.57Å; W110-V127 HydrophobicContact CG-CG2 4.33Å; W110-V127 HydrophobicContact CZ3-CB 4.07Å; W110-V127 HydrophobicContact CZ3-CG1 3.82Å; W110-V127 HydrophobicContact CZ3-CG2 4.15Å; Y115-V127 HydrophobicContact CD2-CG2 3.59Å; Y115-V127 HydrophobicContact CE1-CG2 4.36Å; Y115-V127 HydrophobicContact CE2-CG2 3.36Å; Y115-V127 HydrophobicContact CG-CG2 4.23Å; R123-V127 WeakPolarHBondContact O-CG2 3.46Å; R123-V127 PolarHBondContact O-N 3.13Å; R123-V127 VanDerWaalsContact O-N 3.08Å; C124-V127 PolarHBondContact O-N 3.39Å; F125-V127 PolarHBondContact O-N 3.11Å; V127-E130 PolarHBondContact O-N 2.8Å; V127-L131 HydrophobicContact CG1-CD1 4.18Å; V127-L131 WeakPolarHBondContact O-CG 3.45Å; V127-L131 PolarHBondContact O-N 3.37Å; V127-L131 VanDerWaalsContact O-N 3.08Å
128L98.1Very high95.5Very high0 Ų014.4 Ų14.40%07%0.071CC..Hα-helixtrans-67.2-36.2179.1-64.6175.9000111.9C124 F125 I126 L131 R132 L155 M238 V239 I242 F243C124-L128 WeakPolarHBondContact O-CG 3.31Å; C124-L128 PolarHBondContact O-N 3.49Å; F125-L128 PolarHBondContact O-N 3.17Å; I126-L128 VanDerWaalsContact C-N 3.31Å; I126-L128 PolarHBondContact O-N 2.83Å; L128-L131 PolarHBondContact O-N 2.86Å; L128-R132 WeakPolarHBondContact O-CB 3.07Å; L128-R132 PolarHBondContact O-N 2.82Å; L128-L155 HydrophobicContact CD2-CD1 3.88Å; L128-L155 HydrophobicContact CD2-CD2 3.75Å; L128-L155 HydrophobicContact CD2-CG 3.99Å; L128-M238 HydrophobicContact CD1-CB 3.67Å; L128-V239 HydrophobicContact CD1-CG2 4.09Å; L128-V239 HydrophobicContact CD2-CG2 3.93Å; L128-I242 HydrophobicContact CB-CD1 3.49Å; L128-I242 VanDerWaalsContact CB-CD1 3.49Å; L128-I242 HydrophobicContact CB-CG2 4.41Å; L128-I242 HydrophobicContact CD1-CD1 3.78Å; L128-I242 HydrophobicContact CG-CD1 4.28Å; L128-F243 HydrophobicContact CB-CE2 4.38Å; L128-F243 HydrophobicContact CD2-CE2 4.19Å
129E96.6Very high95.5Very high2 Ų212.9 Ų12.91%0.0097%0.065CC..Hα-helixtrans-65.8-45.3173.2-81.9-66.8110.500112F125 I126 L131 R132 W133 L199 W202F125-E129 HydrophobicContact CD1-CG 4.19Å; F125-E129 HydrophobicContact CE1-CG 3.64Å; F125-E129 HydrophobicContact CE2-CG 4.23Å; F125-E129 HydrophobicContact CZ-CG 3.65Å; F125-E129 PolarHBondContact O-N 3.38Å; I126-E129 PolarHBondContact O-N 2.67Å; E129-L131 PolarHBondContact O-N 3.35Å; E129-R132 VanDerWaalsContact CD-NH2 3.33Å; E129-R132 PolarHBondContact O-N 2.89Å; E129-R132 VanDerWaalsContact O-N 3.08Å; E129-R132 IonicContact OE1-CZ 3.59Å; E129-R132 IonicContact OE1-NE 3.58Å; E129-R132 PolarHBondContact OE1-NE 2.89Å; E129-R132 IonicContact OE1-NH2 3.71Å; E129-R132 PolarHBondContact OE1-NH2 3Å; E129-R132 VanDerWaalsContact OE1-NH2 3.07Å; E129-R132 IonicContact OE2-CZ 3.59Å; E129-R132 IonicContact OE2-NE 3.19Å; E129-R132 IonicContact OE2-NH2 2.82Å; E129-R132 PolarHBondContact OE2-NH2 3.13Å; E129-W133 PolarHBondContact O-N 2.77Å; E129-W133 PolarHBondContact OE2-NE1 2.85Å; E129-L199 HydrophobicContact CB-CD1 4.43Å; E129-L199 HydrophobicContact CB-CD2 3.94Å; E129-L199 HydrophobicContact CB-CG 4.35Å; E129-L199 HydrophobicContact CG-CD1 4.38Å; E129-L199 HydrophobicContact CG-CD2 3.96Å; E129-L199 HydrophobicContact CG-CG 4.01Å; E129-W202 WeakPolarHBondContact OE1-CZ2 3.37Å; E129-W202 PolarHBondContact OE2-NE1 2.9Å
130E96.2Very high95.6Very high59 Ų5913 Ų1328%0.2767%0.066SC..Hα-helixtrans-57.9-40.1175.5-75.7-162.7-12300111.8Q102 I106 R109 Y115 I126 V127 G134Q102-E130 PolarHBondContact NE2-O 3.47Å; I106-E130 HydrophobicContact CD1-CB 3.76Å; I106-E130 HydrophobicContact CG1-CB 4.48Å; R109-E130 IonicContact CZ-OE2 3.41Å; R109-E130 IonicContact NH1-OE2 3.33Å; R109-E130 PolarHBondContact NH1-OE2 3.13Å; R109-E130 IonicContact NH2-OE1 3.94Å; R109-E130 IonicContact NH2-OE2 2.66Å; R109-E130 PolarHBondContact NH2-OE2 3.1Å; Y115-E130 WeakPolarHBondContact CE1-OE1 3.36Å; Y115-E130 VanDerWaalsContact CZ-OE1 3.29Å; Y115-E130 PolarHBondContact OH-OE1 2.88Å; I126-E130 PolarHBondContact O-N 3.38Å; V127-E130 PolarHBondContact O-N 2.8Å; E130-G134 PolarHBondContact O-N 3.03Å
131L97Very high95.4Very high0 Ų014.5 Ų14.50%07%0.07CC..Hα-helixtrans-65.2-45.9172.9-70.8167.1000111.8I106 F107 V127 L128 E129 W133 G134 F136 G137 L155 F243I106-L131 HydrophobicContact CD1-CD2 3.53Å; I106-L131 HydrophobicContact CD1-CG 3.69Å; F107-L131 HydrophobicContact CE2-CD1 4.48Å; V127-L131 HydrophobicContact CG1-CD1 4.18Å; V127-L131 WeakPolarHBondContact O-CG 3.45Å; V127-L131 PolarHBondContact O-N 3.37Å; V127-L131 VanDerWaalsContact O-N 3.08Å; L128-L131 PolarHBondContact O-N 2.86Å; E129-L131 PolarHBondContact O-N 3.35Å; L131-W133 VanDerWaalsContact C-N 3.3Å; L131-W133 PolarHBondContact O-N 3.39Å; L131-G134 PolarHBondContact O-N 3.17Å; L131-F136 HydrophobicContact CB-CB 4.11Å; L131-F136 HydrophobicContact CB-CD1 4.01Å; L131-F136 HydrophobicContact CB-CG 4.17Å; L131-F136 HydrophobicContact CD2-CB 3.65Å; L131-F136 HydrophobicContact CD2-CD1 4.47Å; L131-F136 HydrophobicContact CD2-CD2 4.16Å; L131-F136 HydrophobicContact CD2-CG 3.84Å; L131-F136 HydrophobicContact CG-CB 4.49Å; L131-F136 HydrophobicContact CG-CG 4.5Å; L131-G137 PolarHBondContact O-N 3.16Å; L131-L155 HydrophobicContact CD1-CD1 3.44Å; L131-L155 VanDerWaalsContact CD1-CD1 3.44Å; L131-L155 HydrophobicContact CD1-CD2 4.21Å; L131-L155 HydrophobicContact CD1-CG 4.49Å; L131-F243 HydrophobicContact CB-CZ 4.09Å
132R96Very high95.2Very high5 Ų516.3 Ų16.32%0.0198%0.08CC..Hα-helixtrans-59.2-39.6-178.6-175.4177.568125.74.3112.6L42 L128 E129 R141 W202 I242 F243L42-R132 HydrophobicContact CD2-CG 4.12Å; L128-R132 WeakPolarHBondContact O-CB 3.07Å; L128-R132 PolarHBondContact O-N 2.82Å; E129-R132 VanDerWaalsContact CD-NH2 3.33Å; E129-R132 PolarHBondContact O-N 2.89Å; E129-R132 VanDerWaalsContact O-N 3.08Å; E129-R132 IonicContact OE1-CZ 3.59Å; E129-R132 IonicContact OE1-NE 3.58Å; E129-R132 PolarHBondContact OE1-NE 2.89Å; E129-R132 IonicContact OE1-NH2 3.71Å; E129-R132 PolarHBondContact OE1-NH2 3Å; E129-R132 VanDerWaalsContact OE1-NH2 3.07Å; E129-R132 IonicContact OE2-CZ 3.59Å; E129-R132 IonicContact OE2-NE 3.19Å; E129-R132 IonicContact OE2-NH2 2.82Å; E129-R132 PolarHBondContact OE2-NH2 3.13Å; R132-R141 PolarHBondContact O-NH1 3.39Å; R132-R141 PolarHBondContact O-NH2 3.14Å; R132-W202 VanDerWaalsContact NH2-NE1 3.19Å; R132-I242 HydrophobicContact CB-CG2 3.99Å; R132-I242 WeakPolarHBondContact CD-O 3.5Å; R132-I242 HydrophobicContact CG-CG2 4.23Å; R132-F243 HydrophobicContact CB-CE1 4.07Å; R132-F243 HydrophobicContact CB-CZ 4.16Å; R132-F243 HydrophobicContact CG-CE1 4.48Å
133W93.9Very high94.9Very high88 Ų8817.5 Ų17.533%0.3339%0.092SC..Hα-helixtrans-81.4-16-179-75.1103.9000114.2L42 A43 E129 L131L42-W133 HydrophobicContact CB-CE3 4.01Å; L42-W133 HydrophobicContact CB-CZ3 4.14Å; L42-W133 HydrophobicContact CD2-CD2 3.85Å; L42-W133 HydrophobicContact CD2-CE3 3.69Å; L42-W133 HydrophobicContact CD2-CH2 4.2Å; L42-W133 HydrophobicContact CD2-CZ2 4.34Å; L42-W133 HydrophobicContact CD2-CZ3 3.87Å; L42-W133 HydrophobicContact CG-CE3 3.93Å; L42-W133 HydrophobicContact CG-CH2 4.3Å; L42-W133 HydrophobicContact CG-CZ3 3.77Å; A43-W133 HydrophobicContact CB-CE3 4.34Å; A43-W133 HydrophobicContact CB-CZ3 3.88Å; E129-W133 PolarHBondContact O-N 2.77Å; E129-W133 PolarHBondContact OE2-NE1 2.85Å; L131-W133 VanDerWaalsContact C-N 3.3Å; L131-W133 PolarHBondContact O-N 3.39Å
134G93Very high94.8Very high17 Ų1718.8 Ų18.818%0.17511%0.106CC..SBendtrans-106.3-159.6-177.700000115E130 L131 F136 G137 D138E130-G134 PolarHBondContact O-N 3.03Å; L131-G134 PolarHBondContact O-N 3.17Å; G134-F136 VanDerWaalsContact C-N 3.28Å; G134-F136 PolarHBondContact O-N 2.71Å; G134-G137 PolarHBondContact O-N 3.12Å; G134-G137 VanDerWaalsContact O-N 3.13Å; G134-D138 PolarHBondContact O-N 3.49Å
135A93Very high94.5Very high24 Ų2423.5 Ų23.520%0.19814%0.137CC..Hα-helixtrans-58.8-34.3-174.600000113.7Q98 Q102 D138 A139Q98-A135 HydrophobicContact CB-CB 3.85Å; Q102-A135 HydrophobicContact CB-CB 4.42Å; A135-D138 PolarHBondContact O-N 3.28Å; A135-A139 WeakPolarHBondContact O-CB 3.36Å; A135-A139 PolarHBondContact O-N 2.97Å
136F95.5Very high94.4Very high1 Ų129.9 Ų29.90%0.00417%0.167CC..Hα-helixtrans-61.7-49.4175.1-176.1-80000111.2A99 Q102 L131 G134 D138 A139 C140 L151 L152 L155 F243A99-F136 HydrophobicContact CB-CB 4.32Å; A99-F136 HydrophobicContact CB-CD2 4.16Å; Q102-F136 VanDerWaalsContact OE1-CB 3.31Å; L131-F136 HydrophobicContact CB-CB 4.11Å; L131-F136 HydrophobicContact CB-CD1 4.01Å; L131-F136 HydrophobicContact CB-CG 4.17Å; L131-F136 HydrophobicContact CD2-CB 3.65Å; L131-F136 HydrophobicContact CD2-CD1 4.47Å; L131-F136 HydrophobicContact CD2-CD2 4.16Å; L131-F136 HydrophobicContact CD2-CG 3.84Å; L131-F136 HydrophobicContact CG-CB 4.49Å; L131-F136 HydrophobicContact CG-CG 4.5Å; G134-F136 VanDerWaalsContact C-N 3.28Å; G134-F136 PolarHBondContact O-N 2.71Å; F136-D138 VanDerWaalsContact C-N 3.3Å; F136-D138 PolarHBondContact O-N 3.38Å; F136-A139 PolarHBondContact O-N 3.37Å; F136-C140 WeakPolarHBondContact CE1-SG 3.34Å; F136-C140 PolarHBondContact O-N 3.12Å; F136-C140 PolarHBondContact O-SG 3.33Å; F136-L151 HydrophobicContact CE2-CB 4.03Å; F136-L151 HydrophobicContact CE2-CD2 4.06Å; F136-L151 HydrophobicContact CZ-CB 3.92Å; F136-L152 HydrophobicContact CE1-CD2 4.14Å; F136-L152 HydrophobicContact CZ-CD2 4.4Å; F136-L155 HydrophobicContact CD1-CD2 4.46Å; F136-L155 HydrophobicContact CE1-CD2 3.54Å; F136-L155 HydrophobicContact CE2-CB 4.31Å; F136-L155 HydrophobicContact CE2-CD2 4.5Å; F136-L155 HydrophobicContact CZ-CB 3.78Å; F136-L155 HydrophobicContact CZ-CD2 3.58Å; F136-L155 HydrophobicContact CZ-CG 4.22Å; F136-F243 AromaticContact CD1-CE1 3.71Å; F136-F243 HydrophobicContact CD1-CE1 3.71Å; F136-F243 AromaticContact CD1-CZ 3.95Å; F136-F243 HydrophobicContact CD1-CZ 3.95Å; F136-F243 HydrophobicContact CE1-CD1 4.37Å; F136-F243 AromaticContact CE1-CE1 3.73Å; F136-F243 HydrophobicContact CE1-CE1 3.73Å; F136-F243 AromaticContact CE1-CZ 3.88Å; F136-F243 HydrophobicContact CE1-CZ 3.88Å
137G95Very high94.2Very high0 Ų030.3 Ų30.30%017%0.171CC..Hα-helixtrans-64.2-36.3174.700000112.4L131 G134 A139 C140 R141L131-G137 PolarHBondContact O-N 3.16Å; G134-G137 PolarHBondContact O-N 3.12Å; G134-G137 VanDerWaalsContact O-N 3.13Å; G137-A139 VanDerWaalsContact C-N 3.34Å; G137-C140 WeakPolarHBondContact O-CB 3.22Å; G137-C140 PolarHBondContact O-N 3.44Å; G137-R141 WeakPolarHBondContact O-CG 3.41Å; G137-R141 PolarHBondContact O-N 3.3Å; G137-R141 PolarHBondContact O-NE 3.02Å; G137-R141 PolarHBondContact O-NH1 3.42Å; G137-R141 PolarHBondContact O-NH2 2.86Å
138D92.6Very high94Very high6 Ų630.9 Ų30.93%0.03217%0.174CC..Hα-helixtrans-62.3-44176-68.4-13.3000110.5H41 L90 G134 A135 F136 C140 R141 L142H41-D138 WeakPolarHBondContact CB-OD1 3.49Å; L90-D138 HydrophobicContact CD1-CB 3.91Å; G134-D138 PolarHBondContact O-N 3.49Å; A135-D138 PolarHBondContact O-N 3.28Å; F136-D138 VanDerWaalsContact C-N 3.3Å; F136-D138 PolarHBondContact O-N 3.38Å; D138-C140 VanDerWaalsContact C-N 3.31Å; D138-C140 PolarHBondContact O-N 2.99Å; D138-R141 PolarHBondContact O-N 2.9Å; D138-R141 IonicContact OD1-CZ 3.67Å; D138-R141 IonicContact OD1-NE 3.76Å; D138-R141 IonicContact OD1-NH2 2.65Å; D138-R141 PolarHBondContact OD1-NH2 3.25Å; D138-L142 WeakPolarHBondContact O-CB 3.35Å; D138-L142 WeakPolarHBondContact O-CG 3.32Å; D138-L142 PolarHBondContact O-N 2.96Å
139A93.4Very high93.9Very high1 Ų134 Ų341%0.00820%0.2CC..Hα-helixtrans-63.1-35.6172.900000112.8L95 A99 A135 F136 G137 R141 G143 L151L95-A139 HydrophobicContact CB-CB 3.95Å; A99-A139 HydrophobicContact CB-CB 3.71Å; A135-A139 WeakPolarHBondContact O-CB 3.36Å; A135-A139 PolarHBondContact O-N 2.97Å; F136-A139 PolarHBondContact O-N 3.37Å; G137-A139 VanDerWaalsContact C-N 3.34Å; A139-R141 VanDerWaalsContact C-N 3.31Å; A139-R141 PolarHBondContact O-N 3.23Å; A139-G143 VanDerWaalsContact O-CA 3.28Å; A139-G143 WeakPolarHBondContact O-CA 3.24Å; A139-G143 PolarHBondContact O-N 2.93Å; A139-L151 HydrophobicContact CB-CD1 3.68Å
140C94.1Very high93.8Very high8 Ų840.1 Ų40.15%0.05423%0.232CC..Hα-helixtrans-66.2-31.1174.4-66.90000113.2F136 G137 D138 V148 F243F136-C140 WeakPolarHBondContact CE1-SG 3.34Å; F136-C140 PolarHBondContact O-N 3.12Å; F136-C140 PolarHBondContact O-SG 3.33Å; G137-C140 WeakPolarHBondContact O-CB 3.22Å; G137-C140 PolarHBondContact O-N 3.44Å; D138-C140 VanDerWaalsContact C-N 3.31Å; D138-C140 PolarHBondContact O-N 2.99Å; C140-V148 HydrophobicContact CB-CG1 4.28Å; C140-V148 WeakPolarHBondContact O-CG2 3.49Å; C140-F243 HydrophobicContact CB-CD1 4.32Å
141R92.1Very high93.8Very high53 Ų5338.2 Ų38.220%0.222%0.224CC..Hα-helixtrans-86-35.2-179.4-73.9176.9-73.2-88.24.9113.3R132 G137 D138 A139 N246R132-R141 PolarHBondContact O-NH1 3.39Å; R132-R141 PolarHBondContact O-NH2 3.14Å; G137-R141 WeakPolarHBondContact O-CG 3.41Å; G137-R141 PolarHBondContact O-N 3.3Å; G137-R141 PolarHBondContact O-NE 3.02Å; G137-R141 PolarHBondContact O-NH1 3.42Å; G137-R141 PolarHBondContact O-NH2 2.86Å; D138-R141 PolarHBondContact O-N 2.9Å; D138-R141 IonicContact OD1-CZ 3.67Å; D138-R141 IonicContact OD1-NE 3.76Å; D138-R141 IonicContact OD1-NH2 2.65Å; D138-R141 PolarHBondContact OD1-NH2 3.25Å; A139-R141 VanDerWaalsContact C-N 3.31Å; A139-R141 PolarHBondContact O-N 3.23Å; R141-N246 HydrophobicContact CG-CB 4.36Å
142L91.4Very high93.8Very high39 Ų3939.5 Ų39.520%0.20423%0.23CC..Hα-helixtrans-107.7-13.4-170.1-57.6176.5000113.3E87 L90 L95 D138E87-L142 HydrophobicContact CB-CD1 4.34Å; E87-L142 HydrophobicContact CG-CD1 4.05Å; E87-L142 HydrophobicContact CG-CD2 3.88Å; L90-L142 HydrophobicContact CD1-CD1 4.04Å; L95-L142 HydrophobicContact CD1-CB 3.82Å; L95-L142 HydrophobicContact CD2-CB 4.36Å; L95-L142 HydrophobicContact CD2-CD1 4.34Å; D138-L142 WeakPolarHBondContact O-CB 3.35Å; D138-L142 WeakPolarHBondContact O-CG 3.32Å; D138-L142 PolarHBondContact O-N 2.96Å
143G90.7Very high93.9Very high25 Ų2540.8 Ų40.826%0.25825%0.245SC..SBendtrans-79.3165.5-178.400000113.5A139A139-G143 VanDerWaalsContact O-CA 3.28Å; A139-G143 WeakPolarHBondContact O-CA 3.24Å; A139-G143 PolarHBondContact O-N 2.93Å
144S91.5Very high94Very high60 Ų6039.8 Ų39.842%0.4225%0.247SC..  trans-67.2150.7172.666.60000111.3Q146 A147 V148S144-Q146 PolarHBondContact O-N 3.39Å; S144-Q146 VanDerWaalsContact O-N 3.09Å; S144-A147 WeakPolarHBondContact O-CB 3.48Å; S144-A147 PolarHBondContact O-N 3.32Å; S144-A147 WeakPolarHBondContact OG-CB 3.46Å; S144-A147 PolarHBondContact OG-N 2.85Å; S144-V148 WeakPolarHBondContact O-CG2 3.49Å; S144-V148 PolarHBondContact O-N 2.98Å
145P92.9Very high94.3Very high100 Ų10039 Ų3965%0.64924%0.238SC*.Hα-helixtrans-53-36.6-179.4-28.735.6000114.2A149P145-A149 WeakPolarHBondContact O-CB 3.2Å; P145-A149 PolarHBondContact O-N 3.4Å
146Q94.5Very high94.6Very high134 Ų13442.5 Ų42.563%0.62625%0.246SC*.Hα-helixtrans-67.6-43177.4-61.777.716.900111.7S144 A149 L150S144-Q146 PolarHBondContact O-N 3.39Å; S144-Q146 VanDerWaalsContact O-N 3.09Å; Q146-A149 PolarHBondContact O-N 2.92Å; Q146-L150 WeakPolarHBondContact O-CG 3.34Å; Q146-L150 PolarHBondContact O-N 3.47Å; Q146-L150 VanDerWaalsContact O-N 3.11Å
147A92.6Very high94.7Very high14 Ų1446.2 Ų46.212%0.11627%0.269CS..Hα-helixtrans-64.4-42177.600000111.2L96 S144 L150 L151L96-A147 HydrophobicContact CD1-CB 4.21Å; L96-A147 HydrophobicContact CD2-CB 4.11Å; S144-A147 WeakPolarHBondContact O-CB 3.48Å; S144-A147 PolarHBondContact O-N 3.32Å; S144-A147 WeakPolarHBondContact OG-CB 3.46Å; S144-A147 PolarHBondContact OG-N 2.85Å; A147-L150 PolarHBondContact O-N 2.93Å; A147-L151 WeakPolarHBondContact O-CG 3.35Å; A147-L151 PolarHBondContact O-N 3.22Å
148V94.5Very high94.8Very high12 Ų1248.1 Ų48.17%0.07328%0.277CS..Hα-helixtrans-63.1-43.3175.5179.20000111.3C140 S144 L150 L151 L152C140-V148 HydrophobicContact CB-CG1 4.28Å; C140-V148 WeakPolarHBondContact O-CG2 3.49Å; S144-V148 WeakPolarHBondContact O-CG2 3.49Å; S144-V148 PolarHBondContact O-N 2.98Å; V148-L150 VanDerWaalsContact C-N 3.32Å; V148-L150 PolarHBondContact O-N 3.25Å; V148-L151 PolarHBondContact O-N 3.19Å; V148-L152 HydrophobicContact CG1-CD1 3.85Å; V148-L152 HydrophobicContact CG1-CG 4.2Å; V148-L152 WeakPolarHBondContact O-CB 3.37Å; V148-L152 WeakPolarHBondContact O-CG 3.38Å; V148-L152 PolarHBondContact O-N 2.66Å
149A94.8Very high95.1Very high65 Ų6547.8 Ų47.854%0.53728%0.276SS..Hα-helixtrans-60.5-40.2177.200000112.4P145 Q146 G153P145-A149 WeakPolarHBondContact O-CB 3.2Å; P145-A149 PolarHBondContact O-N 3.4Å; Q146-A149 PolarHBondContact O-N 2.92Å; A149-G153 PolarHBondContact O-N 2.91Å
150L95.6Very high95.4Very high132 Ų13248.4 Ų48.469%0.69128%0.279SS*.Hα-helixtrans-65.3-46.6175.2-70.5173.6000112Q146 A147 V148 L152 G153 D154Q146-L150 WeakPolarHBondContact O-CG 3.34Å; Q146-L150 PolarHBondContact O-N 3.47Å; Q146-L150 VanDerWaalsContact O-N 3.11Å; A147-L150 PolarHBondContact O-N 2.93Å; V148-L150 VanDerWaalsContact C-N 3.32Å; V148-L150 PolarHBondContact O-N 3.25Å; L150-L152 PolarHBondContact O-N 2.94Å; L150-G153 PolarHBondContact O-N 3.05Å; L150-D154 PolarHBondContact O-N 3.47Å
151L95.9Very high95.6Very high19 Ų1952.6 Ų52.610%0.09930%0.298CS..Hα-helixtrans-58.7-48.1177.2-76.2177.8000112L96 A99 F136 A139 A147 V148 G153 D154 L155L96-L151 HydrophobicContact CD2-CD1 3.6Å; L96-L151 HydrophobicContact CD2-CD2 3.96Å; L96-L151 HydrophobicContact CD2-CG 3.72Å; A99-L151 HydrophobicContact CB-CD1 4.13Å; A99-L151 HydrophobicContact CB-CD2 4Å; F136-L151 HydrophobicContact CE2-CB 4.03Å; F136-L151 HydrophobicContact CE2-CD2 4.06Å; F136-L151 HydrophobicContact CZ-CB 3.92Å; A139-L151 HydrophobicContact CB-CD1 3.68Å; A147-L151 WeakPolarHBondContact O-CG 3.35Å; A147-L151 PolarHBondContact O-N 3.22Å; V148-L151 PolarHBondContact O-N 3.19Å; L151-G153 VanDerWaalsContact C-N 3.31Å; L151-G153 PolarHBondContact O-N 3.36Å; L151-D154 PolarHBondContact O-N 2.99Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 PolarHBondContact O-N 3.48Å
152L97.1Very high95.8Very high26 Ų2650.6 Ų50.614%0.13629%0.291CS..Hα-helixtrans-68.6-32179.5-65.7179000111.9F136 V148 L150 L155 R156 V239 F243F136-L152 HydrophobicContact CE1-CD2 4.14Å; F136-L152 HydrophobicContact CZ-CD2 4.4Å; V148-L152 HydrophobicContact CG1-CD1 3.85Å; V148-L152 HydrophobicContact CG1-CG 4.2Å; V148-L152 WeakPolarHBondContact O-CB 3.37Å; V148-L152 WeakPolarHBondContact O-CG 3.38Å; V148-L152 PolarHBondContact O-N 2.66Å; L150-L152 PolarHBondContact O-N 2.94Å; L152-L155 HydrophobicContact CD2-CD2 4.48Å; L152-R156 WeakPolarHBondContact O-CB 3.37Å; L152-R156 WeakPolarHBondContact O-CG 3.36Å; L152-R156 PolarHBondContact O-N 2.95Å; L152-V239 HydrophobicContact CD2-CG1 4.1Å; L152-F243 HydrophobicContact CD1-CB 4.45Å; L152-F243 HydrophobicContact CD2-CB 3.86Å; L152-F243 HydrophobicContact CD2-CD1 4.08Å; L152-F243 HydrophobicContact CD2-CD2 4.08Å; L152-F243 HydrophobicContact CD2-CG 3.72Å
153G97.4Very high96.1Very high33 Ų3348.7 Ų48.734%0.3428%0.281SS..Hα-helixtrans-61.8-52.1172.100000112.3A149 L150 L151 L155 R156 V157A149-G153 PolarHBondContact O-N 2.91Å; L150-G153 PolarHBondContact O-N 3.05Å; L151-G153 VanDerWaalsContact C-N 3.31Å; L151-G153 PolarHBondContact O-N 3.36Å; G153-L155 PolarHBondContact O-N 2.55Å; G153-R156 PolarHBondContact O-N 3.39Å; G153-V157 PolarHBondContact O-N 3.38Å
154D97.5Very high96.5Very high67 Ų6747.7 Ų47.736%0.35827%0.27SS..Hα-helixtrans-59.9-46176.5-179.560.7000111.5L150 L151 R156 V157 K158L150-D154 PolarHBondContact O-N 3.47Å; L151-D154 PolarHBondContact O-N 2.99Å; D154-R156 VanDerWaalsContact C-N 3.32Å; D154-R156 PolarHBondContact O-N 3.05Å; D154-V157 PolarHBondContact O-N 3.41Å; D154-V157 VanDerWaalsContact O-N 3.12Å; D154-K158 PolarHBondContact O-N 3.39Å; D154-K158 VanDerWaalsContact OD1-CE 3.29Å; D154-K158 WeakPolarHBondContact OD1-CE 3.29Å; D154-K158 IonicContact OD1-NZ 3.62Å; D154-K158 WeakPolarHBondContact OD2-CD 3.27Å; D154-K158 WeakPolarHBondContact OD2-CE 3.49Å; D154-K158 IonicContact OD2-NZ 2.78Å; D154-K158 PolarHBondContact OD2-NZ 3.21Å
155L98.2Very high96.7Very high0 Ų050.9 Ų50.90%028%0.278CS..Hα-helixtrans-57.7-43.9177.4177.358.4000112.1F107 L128 L131 F136 L151 L152 G153 V157 K158 A159 V239 F243F107-L155 HydrophobicContact CE2-CD1 3.76Å; F107-L155 HydrophobicContact CZ-CD1 3.82Å; L128-L155 HydrophobicContact CD2-CD1 3.88Å; L128-L155 HydrophobicContact CD2-CD2 3.75Å; L128-L155 HydrophobicContact CD2-CG 3.99Å; L131-L155 HydrophobicContact CD1-CD1 3.44Å; L131-L155 VanDerWaalsContact CD1-CD1 3.44Å; L131-L155 HydrophobicContact CD1-CD2 4.21Å; L131-L155 HydrophobicContact CD1-CG 4.49Å; F136-L155 HydrophobicContact CD1-CD2 4.46Å; F136-L155 HydrophobicContact CE1-CD2 3.54Å; F136-L155 HydrophobicContact CE2-CB 4.31Å; F136-L155 HydrophobicContact CE2-CD2 4.5Å; F136-L155 HydrophobicContact CZ-CB 3.78Å; F136-L155 HydrophobicContact CZ-CD2 3.58Å; F136-L155 HydrophobicContact CZ-CG 4.22Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 PolarHBondContact O-N 3.48Å; L152-L155 HydrophobicContact CD2-CD2 4.48Å; G153-L155 PolarHBondContact O-N 2.55Å; L155-V157 VanDerWaalsContact C-N 3.32Å; L155-V157 PolarHBondContact O-N 3.28Å; L155-K158 PolarHBondContact O-N 2.77Å; L155-A159 VanDerWaalsContact O-CB 3.26Å; L155-A159 WeakPolarHBondContact O-CB 3.48Å; L155-A159 PolarHBondContact O-N 3.25Å; L155-V239 HydrophobicContact CD2-CG2 4.39Å; L155-V239 HydrophobicContact CG-CG2 4.36Å; L155-F243 HydrophobicContact CD2-CD2 4.36Å; L155-F243 HydrophobicContact CD2-CE2 3.66Å; L155-F243 HydrophobicContact CD2-CZ 3.93Å
156R98.4Very high96.8Very high98 Ų9848.3 Ų48.337%0.3726%0.263SS..Hα-helixtrans-60.3-42.5177.1-77.2171.9-175-140.7-1.2111.4L152 G153 D154 T160 V239L152-R156 WeakPolarHBondContact O-CB 3.37Å; L152-R156 WeakPolarHBondContact O-CG 3.36Å; L152-R156 PolarHBondContact O-N 2.95Å; G153-R156 PolarHBondContact O-N 3.39Å; D154-R156 VanDerWaalsContact C-N 3.32Å; D154-R156 PolarHBondContact O-N 3.05Å; R156-T160 WeakPolarHBondContact O-CB 3.1Å; R156-T160 PolarHBondContact O-N 2.94Å; R156-T160 PolarHBondContact O-OG1 3.36Å; R156-V239 HydrophobicContact CG-CB 4.13Å; R156-V239 HydrophobicContact CG-CG1 3.99Å; R156-V239 HydrophobicContact CG-CG2 4.07Å
157V98.4Very high96.8Very high78 Ų7843.5 Ų43.547%0.47324%0.241SC..Hα-helixtrans-64.1-52.6178.51740000110.4G153 D154 L155 T160 Q161G153-V157 PolarHBondContact O-N 3.38Å; D154-V157 PolarHBondContact O-N 3.41Å; D154-V157 VanDerWaalsContact O-N 3.12Å; L155-V157 VanDerWaalsContact C-N 3.32Å; L155-V157 PolarHBondContact O-N 3.28Å; V157-T160 PolarHBondContact O-N 3.25Å; V157-Q161 WeakPolarHBondContact O-CG 3.3Å; V157-Q161 PolarHBondContact O-N 3.42Å
158K98.2Very high96.9Very high40 Ų4050.1 Ų50.117%0.17427%0.274CS..Hα-helixtrans-60.3-52.1-178.9-71.7177.9177.2168.30112.2E104 F107 D154 L155 T160 Q161 H162E104-K158 IonicContact OE1-NZ 2.65Å; E104-K158 PolarHBondContact OE1-NZ 3.48Å; F107-K158 HydrophobicContact CD1-CB 4.34Å; F107-K158 HydrophobicContact CD2-CB 4.27Å; F107-K158 HydrophobicContact CD2-CD 4.16Å; F107-K158 HydrophobicContact CE1-CB 3.85Å; F107-K158 HydrophobicContact CE2-CB 3.8Å; F107-K158 HydrophobicContact CE2-CD 4.18Å; F107-K158 HydrophobicContact CZ-CB 3.57Å; D154-K158 PolarHBondContact O-N 3.39Å; D154-K158 VanDerWaalsContact OD1-CE 3.29Å; D154-K158 WeakPolarHBondContact OD1-CE 3.29Å; D154-K158 IonicContact OD1-NZ 3.62Å; D154-K158 WeakPolarHBondContact OD2-CD 3.27Å; D154-K158 WeakPolarHBondContact OD2-CE 3.49Å; D154-K158 IonicContact OD2-NZ 2.78Å; D154-K158 PolarHBondContact OD2-NZ 3.21Å; L155-K158 PolarHBondContact O-N 2.77Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 3.07Å; K158-Q161 PolarHBondContact O-N 2.7Å; K158-H162 PolarHBondContact O-CD2 3.37Å; K158-H162 VanDerWaalsContact O-CD2 3.29Å; K158-H162 PolarHBondContact O-N 3Å
159A98.6Very high97.1Very high0 Ų050.8 Ų50.80%028%0.281CS..Hα-helixtrans-62.5-36.6179.700000112F107 W110 L155 L163 V235F107-A159 HydrophobicContact CE1-CB 4.33Å; F107-A159 HydrophobicContact CZ-CB 4.04Å; W110-A159 HydrophobicContact CZ3-CB 4.34Å; L155-A159 VanDerWaalsContact O-CB 3.26Å; L155-A159 WeakPolarHBondContact O-CB 3.48Å; L155-A159 PolarHBondContact O-N 3.25Å; A159-L163 VanDerWaalsContact O-CB 3.23Å; A159-L163 WeakPolarHBondContact O-CB 3.05Å; A159-L163 PolarHBondContact O-N 2.87Å; A159-V235 HydrophobicContact CB-CG1 3.53Å; A159-V235 HydrophobicContact CB-CG2 4.21Å
160T98.7Very high97.3Very high13 Ų1350 Ų508%0.0828%0.275CS..Hα-helixtrans-64.4-47.2176-65.90000111.6R156 V157 K158 L163 A164 P171 A231 Q232R156-T160 WeakPolarHBondContact O-CB 3.1Å; R156-T160 PolarHBondContact O-N 2.94Å; R156-T160 PolarHBondContact O-OG1 3.36Å; V157-T160 PolarHBondContact O-N 3.25Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 3.07Å; T160-L163 PolarHBondContact O-N 3.2Å; T160-A164 WeakPolarHBondContact O-CB 3.44Å; T160-A164 PolarHBondContact O-N 3.42Å; T160-P171 HydrophobicContact CG2-CB 3.64Å; T160-P171 HydrophobicContact CG2-CG 4.27Å; T160-A231 HydrophobicContact CG2-CB 4.42Å; T160-Q232 HydrophobicContact CG2-CB 3.78Å; T160-Q232 HydrophobicContact CG2-CG 4.38Å
161Q98.2Very high97.4Very high96 Ų9646.1 Ų46.145%0.44926%0.257SS..Hα-helixtrans-60.7-51.8178.9-73.8170.4-13.900111V157 K158 L163 A164 E165V157-Q161 WeakPolarHBondContact O-CG 3.3Å; V157-Q161 PolarHBondContact O-N 3.42Å; K158-Q161 PolarHBondContact O-N 2.7Å; Q161-L163 VanDerWaalsContact C-N 3.32Å; Q161-L163 PolarHBondContact O-N 3.02Å; Q161-A164 PolarHBondContact O-N 2.85Å; Q161-E165 WeakPolarHBondContact O-CB 3.45Å; Q161-E165 WeakPolarHBondContact O-CG 3.42Å; Q161-E165 PolarHBondContact O-N 2.84Å
162H97.7Very high97.5Very high11 Ų1149.6 Ų49.65%0.05128%0.279CS..Hα-helixtrans-60.3-39179.6-85.4-86.5000113.2F107 W110 R111 K158 S166F107-H162 AromaticContact CD1-CD2 3.38Å; F107-H162 WeakPolarHBondContact CD1-CD2 3.5Å; F107-H162 AromaticContact CD1-CG 3.88Å; F107-H162 AromaticContact CD1-NE2 3.64Å; F107-H162 HydrophobicContact CE1-CB 4.42Å; F107-H162 AromaticContact CE1-CD2 3.8Å; W110-H162 HydrophobicContact CD2-CB 4.11Å; W110-H162 HydrophobicContact CE3-CB 4.15Å; W110-H162 HydrophobicContact CH2-CB 4.14Å; W110-H162 HydrophobicContact CZ2-CB 4.06Å; W110-H162 HydrophobicContact CZ3-CB 4.2Å; R111-H162 PolarHBondContact NH2-CE1 3.33Å; R111-H162 PolarHBondContact NH2-NE2 2.9Å; K158-H162 PolarHBondContact O-CD2 3.37Å; K158-H162 VanDerWaalsContact O-CD2 3.29Å; K158-H162 PolarHBondContact O-N 3Å; H162-S166 WeakPolarHBondContact O-CB 3.47Å; H162-S166 PolarHBondContact O-N 3.39Å; H162-S166 VanDerWaalsContact O-N 3.09Å; H162-S166 PolarHBondContact O-OG 3.13Å
163L97.5Very high97.6Very high0 Ų051.2 Ų51.20%029%0.29CS..Hα-helixtrans-72.2-37.3177.8-170.966.9000112.1W110 L120 C124 A159 T160 Q161 S166 I167 W180 A231 L234 V235W110-L163 HydrophobicContact CH2-CB 4.48Å; W110-L163 HydrophobicContact CZ2-CB 4.45Å; W110-L163 HydrophobicContact CZ2-CD1 4.44Å; L120-L163 HydrophobicContact CB-CD1 3.87Å; L120-L163 VanDerWaalsContact O-CD1 3.31Å; L120-L163 WeakPolarHBondContact O-CD1 3.46Å; C124-L163 HydrophobicContact CB-CD1 4.46Å; A159-L163 VanDerWaalsContact O-CB 3.23Å; A159-L163 WeakPolarHBondContact O-CB 3.05Å; A159-L163 PolarHBondContact O-N 2.87Å; T160-L163 PolarHBondContact O-N 3.2Å; Q161-L163 VanDerWaalsContact C-N 3.32Å; Q161-L163 PolarHBondContact O-N 3.02Å; L163-S166 PolarHBondContact O-N 3.43Å; L163-I167 PolarHBondContact O-N 3.24Å; L163-W180 HydrophobicContact CD1-CZ3 4.36Å; L163-W180 HydrophobicContact CD2-CZ3 4.26Å; L163-W180 HydrophobicContact CG-CZ3 3.9Å; L163-A231 HydrophobicContact CB-CB 4.13Å; L163-A231 HydrophobicContact CD2-CB 4.15Å; L163-A231 HydrophobicContact CG-CB 4.17Å; L163-L234 HydrophobicContact CD2-CB 4.46Å; L163-L234 HydrophobicContact CD2-CD2 4.09Å; L163-V235 HydrophobicContact CB-CG2 4.21Å; L163-V235 HydrophobicContact CD2-CG2 3.61Å
164A98Very high97.6Very high3 Ų358.1 Ų58.13%0.02531%0.306CS..Hα-helixtrans-65.2-44.5176.100000111.7T160 Q161 S166 I167 N168 A169 P171 A231T160-A164 WeakPolarHBondContact O-CB 3.44Å; T160-A164 PolarHBondContact O-N 3.42Å; Q161-A164 PolarHBondContact O-N 2.85Å; A164-S166 VanDerWaalsContact C-N 3.28Å; A164-S166 PolarHBondContact O-N 2.98Å; A164-I167 VanDerWaalsContact O-CG2 3.32Å; A164-I167 WeakPolarHBondContact O-CG2 3.43Å; A164-I167 PolarHBondContact O-N 3.49Å; A164-N168 PolarHBondContact O-N 2.97Å; A164-N168 VanDerWaalsContact O-N 3.09Å; A164-A169 CarbonylContact C-O 3.48Å; A164-A169 WeakPolarHBondContact CB-O 3.39Å; A164-A169 PolarHBondContact O-N 3.42Å; A164-A169 VanDerWaalsContact O-N 3.08Å; A164-P171 HydrophobicContact CB-CG 4.08Å; A164-A231 HydrophobicContact CB-CB 3.86Å
165E96.4Very high97.6Very high127 Ų12756.5 Ų56.559%0.59330%0.296SS*.Hα-helixtrans-57.7-42.1172-73.1169.1-170.200111.4Q161 I167 N168Q161-E165 WeakPolarHBondContact O-CB 3.45Å; Q161-E165 WeakPolarHBondContact O-CG 3.42Å; Q161-E165 PolarHBondContact O-N 2.84Å; E165-I167 VanDerWaalsContact C-N 3.27Å; E165-I167 PolarHBondContact O-N 3.49Å; E165-N168 PolarHBondContact O-N 2.92Å
166S94Very high97.6Very high46 Ų4662.8 Ų62.832%0.32232%0.321SS..Hα-helixtrans-66.4-25.1-178-59.40000114.1H162 L163 A164H162-S166 WeakPolarHBondContact O-CB 3.47Å; H162-S166 PolarHBondContact O-N 3.39Å; H162-S166 VanDerWaalsContact O-N 3.09Å; H162-S166 PolarHBondContact O-OG 3.13Å; L163-S166 PolarHBondContact O-N 3.43Å; A164-S166 VanDerWaalsContact C-N 3.28Å; A164-S166 PolarHBondContact O-N 2.98Å
167I94.7Very high97.4Very high34 Ų3461.6 Ų61.617%0.17432%0.317CS..Hα-helixtrans-97.9-0.8172.6-161.3160.2000112.6L120 L163 A164 E165 A169 H175 W180L120-I167 HydrophobicContact CD1-CB 3.71Å; L120-I167 HydrophobicContact CD1-CD1 4.11Å; L120-I167 HydrophobicContact CD1-CG1 4.02Å; L163-I167 PolarHBondContact O-N 3.24Å; A164-I167 VanDerWaalsContact O-CG2 3.32Å; A164-I167 WeakPolarHBondContact O-CG2 3.43Å; A164-I167 PolarHBondContact O-N 3.49Å; E165-I167 VanDerWaalsContact C-N 3.27Å; E165-I167 PolarHBondContact O-N 3.49Å; I167-A169 HydrophobicContact CG2-CB 3.8Å; I167-H175 HydrophobicContact CD1-CB 4.19Å; I167-W180 HydrophobicContact CB-CE3 4.48Å; I167-W180 HydrophobicContact CB-CH2 4.05Å; I167-W180 HydrophobicContact CB-CZ3 3.75Å; I167-W180 HydrophobicContact CD1-CD2 3.79Å; I167-W180 HydrophobicContact CD1-CE3 3.59Å; I167-W180 HydrophobicContact CD1-CH2 3.74Å; I167-W180 HydrophobicContact CD1-CZ2 3.94Å; I167-W180 HydrophobicContact CD1-CZ3 3.55Å; I167-W180 HydrophobicContact CG1-CH2 4.46Å; I167-W180 HydrophobicContact CG1-CZ3 4.25Å; I167-W180 HydrophobicContact CG2-CH2 3.44Å; I167-W180 VanDerWaalsContact CG2-CH2 3.44Å; I167-W180 HydrophobicContact CG2-CZ2 4.39Å; I167-W180 HydrophobicContact CG2-CZ3 3.64Å
168N96.1Very high97.2Very high153 Ų15362.8 Ų62.882%0.81832%0.317SS*.THydrogen-bonded Turntrans55.650-174.5-169.437.2000113.3A164 E165A164-N168 PolarHBondContact O-N 2.97Å; A164-N168 VanDerWaalsContact O-N 3.09Å; E165-N168 PolarHBondContact O-N 2.92Å
169A97.5Very high97.1Very high26 Ų2664.9 Ų64.922%0.21533%0.328CS..SBendtrans-142.8167.6177.900000111.7A164 I167 T173 H175A164-A169 CarbonylContact C-O 3.48Å; A164-A169 WeakPolarHBondContact CB-O 3.39Å; A164-A169 PolarHBondContact O-N 3.42Å; A164-A169 VanDerWaalsContact O-N 3.08Å; I167-A169 HydrophobicContact CG2-CB 3.8Å; A169-T173 HydrophobicContact CB-CG2 4.06Å; A169-H175 WeakPolarHBondContact CB-NE2 3.33Å
170A98.4Very high96.9Very high49 Ų4965 Ų6541%0.40533%0.328SS..  trans-68.6152.4173.100000111T172 T173A170-T172 PolarHBondContact O-N 2.74Å; A170-T173 WeakPolarHBondContact CB-OG1 3.39Å; A170-T173 PolarHBondContact N-OG1 3.15Å; A170-T173 WeakPolarHBondContact O-CB 3.37Å; A170-T173 PolarHBondContact O-N 2.93Å
171P98.4Very high96.7Very high50 Ų5065.1 Ų65.133%0.32533%0.328SS..THydrogen-bonded Turntrans-48.3-29.6177.2-36.440.7000116.5T160 A164 S230 A231 Q232T160-P171 HydrophobicContact CG2-CB 3.64Å; T160-P171 HydrophobicContact CG2-CG 4.27Å; A164-P171 HydrophobicContact CB-CG 4.08Å; P171-S230 WeakPolarHBondContact O-CB 3.32Å; P171-S230 PolarHBondContact O-OG 3.39Å; P171-A231 PolarHBondContact O-N 3.44Å; P171-Q232 VanDerWaalsContact O-CB 3.29Å; P171-Q232 WeakPolarHBondContact O-CB 3.49Å; P171-Q232 PolarHBondContact O-N 3.34Å
172T98.4Very high96.3Very high91 Ų9163.4 Ų63.456%0.55833%0.33SS*.THydrogen-bonded Turntrans-101.5-9.6-176.9510000113.5A170 R174 S230 Q232A170-T172 PolarHBondContact O-N 2.74Å; T172-R174 PolarHBondContact O-N 2.93Å; T172-S230 VanDerWaalsContact C-CB 3.42Å; T172-S230 WeakPolarHBondContact O-CB 3.49Å; T172-Q232 VanDerWaalsContact CG2-OE1 3.24Å
173T98.4Very high95.5Very high60 Ų6067.1 Ų67.137%0.36836%0.357SS..  trans-65.1129176.8-59.90000109.6A169 A170 S230A169-T173 HydrophobicContact CB-CG2 4.06Å; A170-T173 WeakPolarHBondContact CB-OG1 3.39Å; A170-T173 PolarHBondContact N-OG1 3.15Å; A170-T173 WeakPolarHBondContact O-CB 3.37Å; A170-T173 PolarHBondContact O-N 2.93Å; T173-S230 WeakPolarHBondContact O-CA 3.45Å; T173-S230 WeakPolarHBondContact O-CB 3.2Å
174R98.3Very high94.7Very high178 Ų17868.4 Ų68.467%0.67237%0.366SS*.  trans-96.2134.6-174.7-59.6180-175.5176.20.5110.6T172 L228 C229T172-R174 PolarHBondContact O-N 2.93Å; R174-L228 HydrophobicContact CB-CD1 3.84Å; R174-L228 HydrophobicContact CB-CG 3.93Å; R174-C229 WeakPolarHBondContact CA-O 3.49Å
175H98Very high93.6Very high33 Ų3375 Ų7515%0.15341%0.406CS..EExtended strand (participates in β ladder)trans-124.4149.8172.8-60.3-94.9000109.4I167 A169 Q179 W180 C229I167-H175 HydrophobicContact CD1-CB 4.19Å; A169-H175 WeakPolarHBondContact CB-NE2 3.33Å; H175-Q179 HydrophobicContact CB-CB 4.22Å; H175-Q179 PolarHBondContact ND1-OE1 3.2Å; H175-W180 HydrophobicContact CB-CZ2 4.36Å; H175-W180 AromaticContact CD2-CZ2 3.79Å; H175-W180 PolarHBondContact O-NE1 2.86Å; H175-C229 PolarHBondContact N-O 3.17Å; H175-C229 PolarHBondContact O-N 3.09Å
176Y97.6Very high92.7Very high132 Ų13271.7 Ų71.752%0.51840%0.395SS..EExtended strand (participates in β ladder)trans-62.9145.3170.7-70.2-75.2000110H178 Q179 R227 L228Y176-H178 WeakPolarHBondContact CB-CE1 3.44Å; Y176-H178 VanDerWaalsContact CB-ND1 3.35Å; Y176-H178 WeakPolarHBondContact CB-ND1 3.39Å; Y176-H178 AromaticContact CD2-CE1 3.9Å; Y176-H178 AromaticContact CG-CE1 3.67Å; Y176-H178 PolarHBondContact O-N 3.5Å; Y176-Q179 WeakPolarHBondContact O-CB 3.47Å; Y176-Q179 PolarHBondContact O-N 2.83Å; Y176-R227 CarbonylContact C-O 3.56Å; Y176-R227 VanDerWaalsContact CA-O 3.32Å; Y176-R227 WeakPolarHBondContact CA-O 3.46Å; Y176-L228 HydrophobicContact CD1-CD1 4.22Å; Y176-L228 HydrophobicContact CE1-CD1 4.4Å; Y176-L228 HydrophobicContact CG-CD1 4.35Å
177Y94.6Very high91.4Very high74 Ų7475.6 Ų75.629%0.2942%0.419SS..Hα-helixtrans-55.2-32.5-17582.6-81.6000113Q179 W180 F181 V221 R227Y177-Q179 PolarHBondContact O-N 3.04Å; Y177-W180 WeakPolarHBondContact O-CB 3.36Å; Y177-W180 PolarHBondContact O-N 2.96Å; Y177-F181 HydrophobicContact CD2-CD2 4.42Å; Y177-F181 WeakPolarHBondContact O-CB 3.37Å; Y177-F181 WeakPolarHBondContact O-CD2 3.47Å; Y177-F181 PolarHBondContact O-N 2.9Å; Y177-V221 HydrophobicContact CD2-CG2 4.31Å; Y177-V221 HydrophobicContact CE2-CG2 3.81Å; Y177-R227 HydrophobicContact CD1-CB 4.26Å; Y177-R227 PolarHBondContact N-O 3.46Å
178H93.9Very high90Very high103 Ų10376.7 Ų76.748%0.47743%0.427SS..Hα-helixtrans-59.4-31.8177.662.1-104.2000113.2Y176 F181 A182Y176-H178 WeakPolarHBondContact CB-CE1 3.44Å; Y176-H178 VanDerWaalsContact CB-ND1 3.35Å; Y176-H178 WeakPolarHBondContact CB-ND1 3.39Å; Y176-H178 AromaticContact CD2-CE1 3.9Å; Y176-H178 AromaticContact CG-CE1 3.67Å; Y176-H178 PolarHBondContact O-N 3.5Å; H178-F181 CarbonylContact O-C 3.58Å; H178-F181 PolarHBondContact O-N 3.37Å; H178-A182 PolarHBondContact O-N 3.36Å; H178-A182 VanDerWaalsContact O-N 3.11Å
179Q95.3Very high88.6Confident84 Ų8473 Ų7339%0.39343%0.425SS..Hα-helixtrans-71.1-42.8178.1-58.9-176.510.700110.8H175 Y176 Y177 F181 A182H175-Q179 HydrophobicContact CB-CB 4.22Å; H175-Q179 PolarHBondContact ND1-OE1 3.2Å; Y176-Q179 WeakPolarHBondContact O-CB 3.47Å; Y176-Q179 PolarHBondContact O-N 2.83Å; Y177-Q179 PolarHBondContact O-N 3.04Å; Q179-F181 PolarHBondContact O-N 3.3Å; Q179-A182 WeakPolarHBondContact O-CB 3.02Å; Q179-A182 PolarHBondContact O-N 3.07Å
180W95.7Very high87.3Confident1 Ų173.6 Ų73.60%0.00443%0.434CS..Hα-helixtrans-60.3-37.7173.5-67112000111.6L120 P121 L163 I167 H175 Y177 C229 A231 L234L120-W180 HydrophobicContact CB-CE3 4.26Å; L120-W180 HydrophobicContact CD1-CE3 4Å; L120-W180 HydrophobicContact CD1-CZ3 4.21Å; P121-W180 WeakPolarHBondContact CD-O 3.39Å; L163-W180 HydrophobicContact CD1-CZ3 4.36Å; L163-W180 HydrophobicContact CD2-CZ3 4.26Å; L163-W180 HydrophobicContact CG-CZ3 3.9Å; I167-W180 HydrophobicContact CB-CE3 4.48Å; I167-W180 HydrophobicContact CB-CH2 4.05Å; I167-W180 HydrophobicContact CB-CZ3 3.75Å; I167-W180 HydrophobicContact CD1-CD2 3.79Å; I167-W180 HydrophobicContact CD1-CE3 3.59Å; I167-W180 HydrophobicContact CD1-CH2 3.74Å; I167-W180 HydrophobicContact CD1-CZ2 3.94Å; I167-W180 HydrophobicContact CD1-CZ3 3.55Å; I167-W180 HydrophobicContact CG1-CH2 4.46Å; I167-W180 HydrophobicContact CG1-CZ3 4.25Å; I167-W180 HydrophobicContact CG2-CH2 3.44Å; I167-W180 VanDerWaalsContact CG2-CH2 3.44Å; I167-W180 HydrophobicContact CG2-CZ2 4.39Å; I167-W180 HydrophobicContact CG2-CZ3 3.64Å; H175-W180 HydrophobicContact CB-CZ2 4.36Å; H175-W180 AromaticContact CD2-CZ2 3.79Å; H175-W180 PolarHBondContact O-NE1 2.86Å; Y177-W180 WeakPolarHBondContact O-CB 3.36Å; Y177-W180 PolarHBondContact O-N 2.96Å; W180-C229 PolarHBondContact NE1-O 3.23Å; W180-A231 HydrophobicContact CH2-CB 3.85Å; W180-L234 HydrophobicContact CB-CD2 4.49Å; W180-L234 HydrophobicContact CD2-CD2 4.21Å; W180-L234 HydrophobicContact CE3-CD2 4.39Å; W180-L234 HydrophobicContact CG-CD2 4.27Å
181F93Very high86.4Confident16 Ų1676 Ų767%0.0744%0.44CS..THydrogen-bonded Turntrans-91.35-173.6-76.9-116000113.7P121 Y177 H178 Q179 S183 S213 V214 R217 M225P121-F181 HydrophobicContact CG-CD2 3.96Å; P121-F181 HydrophobicContact CG-CE2 3.84Å; P121-F181 HydrophobicContact CG-CG 4.41Å; P121-F181 HydrophobicContact CG-CZ 4.19Å; Y177-F181 HydrophobicContact CD2-CD2 4.42Å; Y177-F181 WeakPolarHBondContact O-CB 3.37Å; Y177-F181 WeakPolarHBondContact O-CD2 3.47Å; Y177-F181 PolarHBondContact O-N 2.9Å; H178-F181 CarbonylContact O-C 3.58Å; H178-F181 PolarHBondContact O-N 3.37Å; Q179-F181 PolarHBondContact O-N 3.3Å; F181-S183 PolarHBondContact O-N 3.43Å; F181-S213 WeakPolarHBondContact CE1-O 3.49Å; F181-V214 HydrophobicContact CE1-CG2 4.17Å; F181-V214 HydrophobicContact CE2-CG2 4.44Å; F181-V214 HydrophobicContact CZ-CB 4.45Å; F181-V214 HydrophobicContact CZ-CG2 3.63Å; F181-R217 PolarHBondContact O-NH2 3.4Å; F181-M225 HydrophobicContact CE2-CE 3.43Å; F181-M225 VanDerWaalsContact CE2-CE 3.43Å; F181-M225 HydrophobicContact CZ-CE 3.74Å; F181-M225 HydrophobicContact CZ-SD 4.46Å
182A90.3Very high85.7Confident60 Ų6076.4 Ų76.450%0.49644%0.438SS..PPolyproline II helixtrans-50.8134.1173.800000110S119 H178 Q179S119-A182 WeakPolarHBondContact CB-O 3.44Å; H178-A182 PolarHBondContact O-N 3.36Å; H178-A182 VanDerWaalsContact O-N 3.11Å; Q179-A182 WeakPolarHBondContact O-CB 3.02Å; Q179-A182 PolarHBondContact O-N 3.07Å
183S81.9Confident85.1Confident90 Ų9075.1 Ų75.163%0.62944%0.436SS*.PPolyproline II helixtrans-61.9148.2177.6-670000110.1F181F181-S183 PolarHBondContact O-N 3.43Å
184S79.9Confident84.6Confident27 Ų2777.7 Ų77.719%0.18945%0.448CS..PPolyproline II helixtrans-62.4145.2173.3-175.80000110.4N116 A117 V186N116-S184 VanDerWaalsContact O-CB 3.24Å; N116-S184 WeakPolarHBondContact O-CB 3.28Å; N116-S184 PolarHBondContact O-OG 2.9Å; A117-S184 WeakPolarHBondContact O-CB 3.15Å; S184-V186 WeakPolarHBondContact OG-CB 3.06Å; S184-V186 WeakPolarHBondContact OG-CG2 3.27Å; S184-V186 PolarHBondContact OG-N 2.9Å; S184-V186 VanDerWaalsContact OG-N 3.1Å
185T75Confident84.2Confident140 Ų14071.5 Ų71.586%0.85943%0.426SS*.SBendtrans-76.5-10.3170.453.60000112.4P187T185-P187 VanDerWaalsContact O-CD 3.32Å; T185-P187 WeakPolarHBondContact O-CD 3.48Å
186V77Confident83.9Confident58 Ų5870.2 Ų70.235%0.35242%0.42SS..SBendtrans-69.7118.9175.3-1790000108.6N116 S184 T188N116-V186 HydrophobicContact CB-CG2 4.11Å; S184-V186 WeakPolarHBondContact OG-CB 3.06Å; S184-V186 WeakPolarHBondContact OG-CG2 3.27Å; S184-V186 PolarHBondContact OG-N 2.9Å; S184-V186 VanDerWaalsContact OG-N 3.1Å; V186-T188 HydrophobicContact CG1-CG2 4.24Å; V186-T188 PolarHBondContact O-N 3.42Å; V186-T188 VanDerWaalsContact O-N 3.13Å
187P68.2Low83.7Confident128 Ų12865.2 Ų65.283%0.83140%0.404SS*.  trans-60119.6175.2-19.331.2000109.3T185T185-P187 VanDerWaalsContact O-CD 3.32Å; T185-P187 WeakPolarHBondContact O-CD 3.48Å
188T65.2Low83.7Confident57 Ų5769.3 Ų69.335%0.3542%0.419SS..  trans-130.2139.817556.70000109.2A117 V186 G190 H192A117-T188 HydrophobicContact CB-CG2 3.83Å; V186-T188 HydrophobicContact CG1-CG2 4.24Å; V186-T188 PolarHBondContact O-N 3.42Å; V186-T188 VanDerWaalsContact O-N 3.13Å; T188-G190 PolarHBondContact O-N 2.99Å; T188-H192 WeakPolarHBondContact CB-ND1 3.32Å; T188-H192 WeakPolarHBondContact CG2-ND1 2.95Å
189G65.4Low83.6Confident76 Ų7665.6 Ų65.678%0.78440%0.403SS*.  trans-73.132.6-17900000114.8D191G189-D191 PolarHBondContact O-N 3.26Å
190G69.8Low83.6Confident39 Ų3961.6 Ų61.640%0.40238%0.384SS..SBendtrans79.6-30.3-177.500000115.2T188 H192 A193T188-G190 PolarHBondContact O-N 2.99Å; G190-H192 PolarHBondContact O-N 2.87Å; G190-A193 PolarHBondContact O-N 3.45Å
191D79.9Confident83.5Confident98 Ų9869.7 Ų69.752%0.52442%0.419SS..Hα-helixtrans-48.1-29.3-177.9-73.81.9000115.6G189 F195G189-D191 PolarHBondContact O-N 3.26Å; D191-F195 WeakPolarHBondContact O-CB 3.18Å; D191-F195 PolarHBondContact O-N 3.11Å
192H84.4Confident83.5Confident60 Ų6072.2 Ų72.228%0.27843%0.428SS..Hα-helixtrans-76.1-33.4-176.9-67.375000112.5A117 W118 T188 G190 L196A117-H192 WeakPolarHBondContact CB-CD2 3.47Å; W118-H192 AromaticContact CE2-CD2 3.75Å; W118-H192 AromaticContact CH2-CD2 3.76Å; W118-H192 HydrophobicContact CZ2-CB 4.33Å; W118-H192 AromaticContact CZ2-CD2 3.43Å; W118-H192 VanDerWaalsContact CZ2-CD2 3.43Å; W118-H192 WeakPolarHBondContact CZ2-CD2 3.38Å; W118-H192 PolarHBondContact NE1-O 3.1Å; T188-H192 WeakPolarHBondContact CB-ND1 3.32Å; T188-H192 WeakPolarHBondContact CG2-ND1 2.95Å; G190-H192 PolarHBondContact O-N 2.87Å; H192-L196 WeakPolarHBondContact O-CB 3.16Å; H192-L196 PolarHBondContact O-N 3.34Å
193A86.3Confident83.7Confident63 Ų6369.7 Ų69.752%0.52141%0.407SS..Hα-helixtrans-69.9-43175.400000110.5G190 L196 S197G190-A193 PolarHBondContact O-N 3.45Å; A193-L196 PolarHBondContact O-N 3.36Å; A193-S197 WeakPolarHBondContact O-CB 3.32Å; A193-S197 PolarHBondContact O-N 2.94Å
194D88Confident84.4Confident115 Ų11567.9 Ų67.962%0.61539%0.392SS*.Hα-helixtrans-64.3-42.1176.1-69.5-17.7000111.6L196 S197 W198D194-L196 PolarHBondContact O-N 2.88Å; D194-S197 PolarHBondContact O-N 2.94Å; D194-W198 VanDerWaalsContact O-CB 3.31Å; D194-W198 WeakPolarHBondContact O-CB 3.45Å; D194-W198 PolarHBondContact O-N 3.47Å
195F89.2Confident85.2Confident48 Ų4868.5 Ų68.521%0.21140%0.399CS..Hα-helixtrans-60.2-45.4173.8177.1-103.9000112.2W118 D191 W198 L199W118-F195 AromaticContact CZ2-CD1 3.73Å; W118-F195 HydrophobicContact CZ2-CD1 3.73Å; W118-F195 HydrophobicContact CZ2-CE1 4.17Å; D191-F195 WeakPolarHBondContact O-CB 3.18Å; D191-F195 PolarHBondContact O-N 3.11Å; F195-W198 HydrophobicContact CD2-CE3 4.07Å; F195-W198 HydrophobicContact CD2-CZ3 4.37Å; F195-W198 AromaticContact CE2-CE3 3.99Å; F195-W198 HydrophobicContact CE2-CE3 3.99Å; F195-W198 AromaticContact CE2-CZ3 3.86Å; F195-W198 HydrophobicContact CE2-CZ3 3.86Å; F195-W198 PolarHBondContact O-N 2.91Å; F195-L199 HydrophobicContact CE1-CD2 4.17Å; F195-L199 HydrophobicContact CZ-CD2 4.35Å; F195-L199 VanDerWaalsContact O-CB 3.32Å; F195-L199 WeakPolarHBondContact O-CB 3.46Å; F195-L199 PolarHBondContact O-N 3.29Å
196L91.5Very high86.1Confident6 Ų667.7 Ų67.73%0.03139%0.389CS..Hα-helixtrans-64.2-42.6178.9-175.766000111.4F125 I126 H192 A193 D194 L199 G200 V214 T215F125-L196 HydrophobicContact CD1-CD1 3.63Å; F125-L196 HydrophobicContact CE1-CD1 4.26Å; F125-L196 HydrophobicContact CG-CD1 4.48Å; I126-L196 HydrophobicContact CD1-CD1 4.14Å; I126-L196 HydrophobicContact CG1-CD1 3.98Å; H192-L196 WeakPolarHBondContact O-CB 3.16Å; H192-L196 PolarHBondContact O-N 3.34Å; A193-L196 PolarHBondContact O-N 3.36Å; D194-L196 PolarHBondContact O-N 2.88Å; L196-L199 PolarHBondContact O-N 3.23Å; L196-G200 PolarHBondContact O-N 3.19Å; L196-V214 WeakPolarHBondContact CD2-O 3.45Å; L196-T215 HydrophobicContact CD1-CG2 3.87Å; L196-T215 HydrophobicContact CG-CG2 3.95Å; L196-T215 WeakPolarHBondContact O-CB 3.31Å
197S93.1Very high87Confident27 Ų2771.8 Ų71.819%0.18940%0.403CS..Hα-helixtrans-60.5-46.3175.5178.30000111.6A193 D194 G200 K201 T215 Q216A193-S197 WeakPolarHBondContact O-CB 3.32Å; A193-S197 PolarHBondContact O-N 2.94Å; D194-S197 PolarHBondContact O-N 2.94Å; S197-G200 CarbonylContact O-C 3.6Å; S197-G200 PolarHBondContact O-N 3.23Å; S197-K201 PolarHBondContact O-N 3.15Å; S197-T215 WeakPolarHBondContact CA-O 3.3Å; S197-Q216 PolarHBondContact O-NE2 3.39Å; S197-Q216 PolarHBondContact OG-OE1 3.18Å
198W93.8Very high88.4Confident159 Ų15966.6 Ų66.660%0.60237%0.367SS*.Hα-helixtrans-62.3-46.7176.3172.881.9000112.3D194 F195 G200 K201D194-W198 VanDerWaalsContact O-CB 3.31Å; D194-W198 WeakPolarHBondContact O-CB 3.45Å; D194-W198 PolarHBondContact O-N 3.47Å; F195-W198 HydrophobicContact CD2-CE3 4.07Å; F195-W198 HydrophobicContact CD2-CZ3 4.37Å; F195-W198 AromaticContact CE2-CE3 3.99Å; F195-W198 HydrophobicContact CE2-CE3 3.99Å; F195-W198 AromaticContact CE2-CZ3 3.86Å; F195-W198 HydrophobicContact CE2-CZ3 3.86Å; F195-W198 PolarHBondContact O-N 2.91Å; W198-G200 VanDerWaalsContact C-N 3.26Å; W198-G200 PolarHBondContact O-N 3.02Å; W198-K201 WeakPolarHBondContact O-CB 3.22Å; W198-K201 PolarHBondContact O-N 3.3Å; W198-K201 VanDerWaalsContact O-N 3.13Å
199L92.9Very high89.9Confident25 Ų2564.9 Ų64.913%0.13136%0.357CS..Hα-helixtrans-62.6-36.6179.1-17365.4000111.4F125 I126 E129 F195 L196 K201 W202F125-L199 HydrophobicContact CD1-CD2 4.3Å; F125-L199 HydrophobicContact CE1-CB 4.33Å; F125-L199 HydrophobicContact CE1-CD2 3.89Å; F125-L199 HydrophobicContact CE1-CG 3.91Å; I126-L199 HydrophobicContact CG1-CD2 4.09Å; E129-L199 HydrophobicContact CB-CD1 4.43Å; E129-L199 HydrophobicContact CB-CD2 3.94Å; E129-L199 HydrophobicContact CB-CG 4.35Å; E129-L199 HydrophobicContact CG-CD1 4.38Å; E129-L199 HydrophobicContact CG-CD2 3.96Å; E129-L199 HydrophobicContact CG-CG 4.01Å; F195-L199 HydrophobicContact CE1-CD2 4.17Å; F195-L199 HydrophobicContact CZ-CD2 4.35Å; F195-L199 VanDerWaalsContact O-CB 3.32Å; F195-L199 WeakPolarHBondContact O-CB 3.46Å; F195-L199 PolarHBondContact O-N 3.29Å; L196-L199 PolarHBondContact O-N 3.23Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.48Å; L199-W202 PolarHBondContact O-NE1 2.98Å
200G94.8Very high91.4Very high0 Ų061.3 Ų61.30%032%0.32CS..G310 helixtrans-823.8176.500000115.7L196 S197 W198 W202 T203L196-G200 PolarHBondContact O-N 3.19Å; S197-G200 CarbonylContact O-C 3.6Å; S197-G200 PolarHBondContact O-N 3.23Å; W198-G200 VanDerWaalsContact C-N 3.26Å; W198-G200 PolarHBondContact O-N 3.02Å; G200-W202 PolarHBondContact O-N 3.49Å; G200-T203 WeakPolarHBondContact O-CB 3.41Å; G200-T203 PolarHBondContact O-N 3.43Å; G200-T203 PolarHBondContact O-OG1 2.97Å
201K93.8Very high92.8Very high171 Ų17159.5 Ų59.574%0.74330%0.301SS*.G310 helixtrans-58-25.3-175.2-175.1178.1-179.8-178.30113.9S197 W198 L199 T203S197-K201 PolarHBondContact O-N 3.15Å; W198-K201 WeakPolarHBondContact O-CB 3.22Å; W198-K201 PolarHBondContact O-N 3.3Å; W198-K201 VanDerWaalsContact O-N 3.13Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.48Å; K201-T203 VanDerWaalsContact C-N 3.26Å; K201-T203 PolarHBondContact O-N 3.39Å
202W93.1Very high93.6Very high69 Ų6956.8 Ų56.826%0.26128%0.283SS..G310 helixtrans-75.1-15.3178.464.6-95.5000113.5F125 E129 R132 L199 G200 Q208 I242 V245F125-W202 HydrophobicContact CE2-CZ2 4.12Å; F125-W202 HydrophobicContact CZ-CZ2 4.27Å; E129-W202 WeakPolarHBondContact OE1-CZ2 3.37Å; E129-W202 PolarHBondContact OE2-NE1 2.9Å; R132-W202 VanDerWaalsContact NH2-NE1 3.19Å; L199-W202 PolarHBondContact O-NE1 2.98Å; G200-W202 PolarHBondContact O-N 3.49Å; W202-Q208 HydrophobicContact CH2-CG 4.34Å; W202-Q208 HydrophobicContact CZ3-CG 3.8Å; W202-I242 HydrophobicContact CH2-CG1 3.97Å; W202-I242 HydrophobicContact CZ2-CG1 4.03Å; W202-V245 HydrophobicContact CZ3-CG2 3.85Å
203T95.4Very high94.2Very high7 Ų754 Ų544%0.04327%0.271CS..  trans-81.2148.8-179670000111.2F125 G200 K201 Q208 C211 W212F125-T203 HydrophobicContact CE2-CG2 4.43Å; G200-T203 WeakPolarHBondContact O-CB 3.41Å; G200-T203 PolarHBondContact O-N 3.43Å; G200-T203 PolarHBondContact O-OG1 2.97Å; K201-T203 VanDerWaalsContact C-N 3.26Å; K201-T203 PolarHBondContact O-N 3.39Å; T203-Q208 HydrophobicContact CG2-CB 4.25Å; T203-C211 HydrophobicContact CG2-CB 3.68Å; T203-W212 VanDerWaalsContact OG1-CA 3.3Å; T203-W212 WeakPolarHBondContact OG1-CA 3.46Å
204T95.7Very high94.7Very high53 Ų5351 Ų5133%0.32525%0.246SC..  trans-128.2151.4172.168.30000111.2D206 K207 Q208T204-D206 WeakPolarHBondContact CB-OD1 3.19Å; T204-D206 PolarHBondContact O-N 2.93Å; T204-D206 VanDerWaalsContact O-N 3.17Å; T204-D206 PolarHBondContact OG1-OD1 3.24Å; T204-K207 PolarHBondContact O-N 3.41Å; T204-K207 WeakPolarHBondContact OG1-CB 3.28Å; T204-K207 PolarHBondContact OG1-N 3.27Å; T204-Q208 VanDerWaalsContact N-OE1 3.13Å; T204-Q208 CarbonylContact O-C 3.48Å; T204-Q208 VanDerWaalsContact O-C 3.29Å; T204-Q208 WeakPolarHBondContact O-CA 3.48Å; T204-Q208 PolarHBondContact O-N 2.94Å
205A96.5Very high95.1Very high40 Ų4045.7 Ų45.733%0.33122%0.218SC..THydrogen-bonded Turntrans-62.4-23.4-176.100000113.8P209 W212 A222A205-P209 WeakPolarHBondContact O-CB 3.44Å; A205-W212 HydrophobicContact CB-CD2 3.76Å; A205-W212 HydrophobicContact CB-CE3 3.9Å; A205-W212 HydrophobicContact CB-CG 4.24Å; A205-W212 HydrophobicContact CB-CH2 4.25Å; A205-W212 HydrophobicContact CB-CZ2 4.16Å; A205-W212 HydrophobicContact CB-CZ3 4.14Å; A205-A222 HydrophobicContact CB-CB 4.02Å
206D95Very high95.4Very high122 Ų12244.1 Ų44.165%0.65221%0.211SC*.THydrogen-bonded Turntrans-87.3-41.3178.760.5-46.7000113T204T204-D206 WeakPolarHBondContact CB-OD1 3.19Å; T204-D206 PolarHBondContact O-N 2.93Å; T204-D206 VanDerWaalsContact O-N 3.17Å; T204-D206 PolarHBondContact OG1-OD1 3.24Å
207K94.7Very high95.4Very high145 Ų14549.1 Ų49.163%0.6323%0.23SC*.THydrogen-bonded Turntrans-95.7-31.5-174.2-58.2-178.4-178.5177.70113.7T204 P209T204-K207 PolarHBondContact O-N 3.41Å; T204-K207 WeakPolarHBondContact OG1-CB 3.28Å; T204-K207 PolarHBondContact OG1-N 3.27Å; K207-P209 VanDerWaalsContact C-CD 3.5Å
208Q97.2Very high95.1Very high18 Ų1856.4 Ų56.48%0.08425%0.253CS..  trans-133.560.3179.5-62.185.132.200110.8W202 T203 T204 V210 C211 W212 E241W202-Q208 HydrophobicContact CH2-CG 4.34Å; W202-Q208 HydrophobicContact CZ3-CG 3.8Å; T203-Q208 HydrophobicContact CG2-CB 4.25Å; T204-Q208 VanDerWaalsContact N-OE1 3.13Å; T204-Q208 CarbonylContact O-C 3.48Å; T204-Q208 VanDerWaalsContact O-C 3.29Å; T204-Q208 WeakPolarHBondContact O-CA 3.48Å; T204-Q208 PolarHBondContact O-N 2.94Å; Q208-V210 PolarHBondContact O-N 3.45Å; Q208-C211 HydrophobicContact CB-CB 4.26Å; Q208-C211 PolarHBondContact O-N 2.99Å; Q208-W212 WeakPolarHBondContact O-CB 3.5Å; Q208-W212 PolarHBondContact O-N 3.32Å; Q208-E241 VanDerWaalsContact CA-CD 3.43Å; Q208-E241 WeakPolarHBondContact CA-OE2 3.46Å; Q208-E241 HydrophobicContact CB-CB 4.1Å; Q208-E241 HydrophobicContact CB-CG 4.13Å; Q208-E241 HydrophobicContact CG-CB 3.84Å; Q208-E241 HydrophobicContact CG-CG 4.16Å
209P97.3Very high95.1Very high21 Ų2152.9 Ų52.914%0.13624%0.243CC..Hα-helixtrans-57.5-33.4-172.923-34.9000113.5A205 K207 S213 A222 E241A205-P209 WeakPolarHBondContact O-CB 3.44Å; K207-P209 VanDerWaalsContact C-CD 3.5Å; P209-S213 VanDerWaalsContact O-CB 3.27Å; P209-S213 WeakPolarHBondContact O-CB 3.29Å; P209-S213 PolarHBondContact O-N 3.45Å; P209-S213 VanDerWaalsContact O-N 3.11Å; P209-S213 PolarHBondContact O-OG 2.99Å; P209-A222 HydrophobicContact CB-CB 3.77Å; P209-E241 VanDerWaalsContact CD-OE1 3.22Å; P209-E241 WeakPolarHBondContact CD-OE1 3.42Å
210V98Very high95.2Very high2 Ų257.4 Ų57.41%0.01227%0.272CS..Hα-helixtrans-73.9-56.2179.8178.90000110.3Q208 W212 S213 V214 M225 L234 A237 M238 E241Q208-V210 PolarHBondContact O-N 3.45Å; V210-W212 VanDerWaalsContact C-N 3.29Å; V210-W212 PolarHBondContact O-N 3.45Å; V210-S213 PolarHBondContact O-N 2.98Å; V210-S213 VanDerWaalsContact O-N 3.13Å; V210-V214 HydrophobicContact CG1-CG2 4.48Å; V210-V214 VanDerWaalsContact O-CG2 3.24Å; V210-V214 WeakPolarHBondContact O-CG2 3.37Å; V210-V214 PolarHBondContact O-N 3.18Å; V210-M225 HydrophobicContact CB-SD 4.16Å; V210-M225 HydrophobicContact CG1-SD 3.92Å; V210-M225 HydrophobicContact CG2-SD 3.95Å; V210-L234 HydrophobicContact CG1-CD1 3.57Å; V210-A237 HydrophobicContact CB-CB 4.11Å; V210-A237 HydrophobicContact CG1-CB 4.3Å; V210-A237 HydrophobicContact CG2-CB 3.64Å; V210-M238 HydrophobicContact CG1-CG 3.67Å; V210-M238 HydrophobicContact CG1-SD 4.49Å; V210-E241 WeakPolarHBondContact CB-OE1 3.39Å; V210-E241 WeakPolarHBondContact CG2-OE1 3.46Å; V210-E241 PolarHBondContact N-OE1 3.06Å; V210-E241 PolarHBondContact N-OE2 3.18Å
211C97.7Very high95.2Very high0 Ų058.6 Ų58.60%028%0.279CS..Hα-helixtrans-61.6-38.4-179.9-63.40000112.1F125 T203 Q208 V214 T215 E241F125-C211 HydrophobicContact CD2-CB 3.95Å; F125-C211 HydrophobicContact CE2-CB 3.72Å; T203-C211 HydrophobicContact CG2-CB 3.68Å; Q208-C211 HydrophobicContact CB-CB 4.26Å; Q208-C211 PolarHBondContact O-N 2.99Å; C211-V214 PolarHBondContact O-N 3.36Å; C211-T215 WeakPolarHBondContact O-CB 3.38Å; C211-T215 WeakPolarHBondContact O-CG2 3.28Å; C211-T215 PolarHBondContact O-N 2.9Å; C211-T215 PolarHBondContact O-OG1 3.02Å; C211-E241 WeakPolarHBondContact CB-OE2 3.31Å; C211-E241 PolarHBondContact N-OE2 3.4Å; C211-E241 PolarHBondContact SG-OE2 3.33Å
212W97.8Very high95.3Very high41 Ų4150.8 Ų50.816%0.15525%0.246CC..Hα-helixtrans-62.7-44.9174.8-177.590.7000111.1T203 A205 Q208 V210 V214 T215 Q216 Q219 T220 A222T203-W212 VanDerWaalsContact OG1-CA 3.3Å; T203-W212 WeakPolarHBondContact OG1-CA 3.46Å; A205-W212 HydrophobicContact CB-CD2 3.76Å; A205-W212 HydrophobicContact CB-CE3 3.9Å; A205-W212 HydrophobicContact CB-CG 4.24Å; A205-W212 HydrophobicContact CB-CH2 4.25Å; A205-W212 HydrophobicContact CB-CZ2 4.16Å; A205-W212 HydrophobicContact CB-CZ3 4.14Å; Q208-W212 WeakPolarHBondContact O-CB 3.5Å; Q208-W212 PolarHBondContact O-N 3.32Å; V210-W212 VanDerWaalsContact C-N 3.29Å; V210-W212 PolarHBondContact O-N 3.45Å; W212-V214 VanDerWaalsContact C-N 3.3Å; W212-V214 PolarHBondContact O-N 3.45Å; W212-T215 PolarHBondContact O-N 3.28Å; W212-T215 PolarHBondContact O-OG1 2.88Å; W212-Q216 HydrophobicContact CD2-CB 4.2Å; W212-Q216 HydrophobicContact CD2-CG 4.25Å; W212-Q216 HydrophobicContact CG-CG 4.07Å; W212-Q216 HydrophobicContact CZ2-CB 4.28Å; W212-Q216 WeakPolarHBondContact O-CA 3.35Å; W212-Q216 VanDerWaalsContact O-CB 3.29Å; W212-Q216 WeakPolarHBondContact O-CB 3.28Å; W212-Q216 PolarHBondContact O-N 3.16Å; W212-Q219 HydrophobicContact CH2-CB 3.46Å; W212-Q219 VanDerWaalsContact CH2-CB 3.46Å; W212-Q219 HydrophobicContact CH2-CG 4.21Å; W212-Q219 HydrophobicContact CZ2-CB 3.68Å; W212-Q219 HydrophobicContact CZ2-CG 3.93Å; W212-Q219 HydrophobicContact CZ3-CB 4.37Å; W212-T220 WeakPolarHBondContact CH2-O 3.36Å; W212-T220 WeakPolarHBondContact CZ3-O 3.39Å; W212-A222 HydrophobicContact CE3-CB 3.73Å; W212-A222 HydrophobicContact CZ3-CB 3.92Å
213S97.4Very high95.4Very high2 Ų255.7 Ų55.71%0.01428%0.277CS..Hα-helixtrans-63.9-39177.4-61.30000111.8F181 P209 V210 A222F181-S213 WeakPolarHBondContact CE1-O 3.49Å; P209-S213 VanDerWaalsContact O-CB 3.27Å; P209-S213 WeakPolarHBondContact O-CB 3.29Å; P209-S213 PolarHBondContact O-N 3.45Å; P209-S213 VanDerWaalsContact O-N 3.11Å; P209-S213 PolarHBondContact O-OG 2.99Å; V210-S213 PolarHBondContact O-N 2.98Å; V210-S213 VanDerWaalsContact O-N 3.13Å; S213-A222 WeakPolarHBondContact OG-CB 3.46Å; S213-A222 PolarHBondContact OG-N 3.48Å
214V96.5Very high95.4Very high0 Ų057.4 Ų57.40%030%0.296CS..Hα-helixtrans-63.6-39.7177.9171.50000112.2P121 F125 F181 L196 V210 C211 W212 R217 M238P121-V214 HydrophobicContact CB-CG1 4.05Å; P121-V214 HydrophobicContact CB-CG2 3.62Å; P121-V214 HydrophobicContact CG-CG1 4.41Å; P121-V214 HydrophobicContact CG-CG2 4.1Å; F125-V214 HydrophobicContact CB-CG1 4Å; F181-V214 HydrophobicContact CE1-CG2 4.17Å; F181-V214 HydrophobicContact CE2-CG2 4.44Å; F181-V214 HydrophobicContact CZ-CB 4.45Å; F181-V214 HydrophobicContact CZ-CG2 3.63Å; L196-V214 WeakPolarHBondContact CD2-O 3.45Å; V210-V214 HydrophobicContact CG1-CG2 4.48Å; V210-V214 VanDerWaalsContact O-CG2 3.24Å; V210-V214 WeakPolarHBondContact O-CG2 3.37Å; V210-V214 PolarHBondContact O-N 3.18Å; C211-V214 PolarHBondContact O-N 3.36Å; W212-V214 VanDerWaalsContact C-N 3.3Å; W212-V214 PolarHBondContact O-N 3.45Å; V214-R217 WeakPolarHBondContact O-CG 3.44Å; V214-M238 HydrophobicContact CG2-SD 4.48Å
215T95.8Very high95.5Very high3 Ų355.1 Ų55.12%0.01828%0.282CS..Hα-helixtrans-95.6-36.4-172.557.80000114.1F125 L196 S197 C211 W212 R217F125-T215 HydrophobicContact CD1-CG2 3.59Å; F125-T215 HydrophobicContact CD2-CG2 4.13Å; F125-T215 HydrophobicContact CE1-CG2 3.41Å; F125-T215 VanDerWaalsContact CE1-CG2 3.41Å; F125-T215 HydrophobicContact CE2-CG2 4Å; F125-T215 HydrophobicContact CG-CG2 3.95Å; F125-T215 HydrophobicContact CZ-CG2 3.64Å; L196-T215 HydrophobicContact CD1-CG2 3.87Å; L196-T215 HydrophobicContact CG-CG2 3.95Å; L196-T215 WeakPolarHBondContact O-CB 3.31Å; S197-T215 WeakPolarHBondContact CA-O 3.3Å; C211-T215 WeakPolarHBondContact O-CB 3.38Å; C211-T215 WeakPolarHBondContact O-CG2 3.28Å; C211-T215 PolarHBondContact O-N 2.9Å; C211-T215 PolarHBondContact O-OG1 3.02Å; W212-T215 PolarHBondContact O-N 3.28Å; W212-T215 PolarHBondContact O-OG1 2.88Å; T215-R217 VanDerWaalsContact C-N 3.32Å; T215-R217 PolarHBondContact O-N 2.95Å
216Q95.5Very high95.5Very high16 Ų1654.2 Ų54.28%0.07527%0.273CS..  trans-94.453.8-178.1-51.3-50.6-49.100111.2S197 W212 W218 Q219S197-Q216 PolarHBondContact O-NE2 3.39Å; S197-Q216 PolarHBondContact OG-OE1 3.18Å; W212-Q216 HydrophobicContact CD2-CB 4.2Å; W212-Q216 HydrophobicContact CD2-CG 4.25Å; W212-Q216 HydrophobicContact CG-CG 4.07Å; W212-Q216 HydrophobicContact CZ2-CB 4.28Å; W212-Q216 WeakPolarHBondContact O-CA 3.35Å; W212-Q216 VanDerWaalsContact O-CB 3.29Å; W212-Q216 WeakPolarHBondContact O-CB 3.28Å; W212-Q216 PolarHBondContact O-N 3.16Å; Q216-W218 PolarHBondContact O-N 2.91Å; Q216-Q219 HydrophobicContact CB-CB 4.38Å; Q216-Q219 HydrophobicContact CB-CG 4.42Å; Q216-Q219 WeakPolarHBondContact O-CB 3.28Å; Q216-Q219 PolarHBondContact O-N 3.21Å
217R90.7Very high95.5Very high111 Ų11153.2 Ų53.242%0.41926%0.26SS..THydrogen-bonded Turntrans-64.4-14.3-173.1-65.3-17561.5-179.1-1115.3F181 V214 T215F181-R217 PolarHBondContact O-NH2 3.4Å; V214-R217 WeakPolarHBondContact O-CG 3.44Å; T215-R217 VanDerWaalsContact C-N 3.32Å; T215-R217 PolarHBondContact O-N 2.95Å
218W88.4Confident95.7Very high179 Ų17950.2 Ų50.268%0.67825%0.25SS*.THydrogen-bonded Turntrans-79.4-9.6173.959.6-85.7000112.5Q216Q216-W218 PolarHBondContact O-N 2.91Å
219Q93.5Very high95.7Very high86 Ų8649.4 Ų49.440%0.40225%0.247SC..SBendtrans-103.7164.3176.1-70.8-77.6-4.500111.9W212 Q216 V221W212-Q219 HydrophobicContact CH2-CB 3.46Å; W212-Q219 VanDerWaalsContact CH2-CB 3.46Å; W212-Q219 HydrophobicContact CH2-CG 4.21Å; W212-Q219 HydrophobicContact CZ2-CB 3.68Å; W212-Q219 HydrophobicContact CZ2-CG 3.93Å; W212-Q219 HydrophobicContact CZ3-CB 4.37Å; Q216-Q219 HydrophobicContact CB-CB 4.38Å; Q216-Q219 HydrophobicContact CB-CG 4.42Å; Q216-Q219 WeakPolarHBondContact O-CB 3.28Å; Q216-Q219 PolarHBondContact O-N 3.21Å; Q219-V221 PolarHBondContact O-N 3.39Å
220T93.7Very high95.8Very high120 Ų12048.9 Ų48.974%0.73624%0.244SC*.PPolyproline II helixtrans-66.4126.8172.1-58.80000110.4W212 A222W212-T220 WeakPolarHBondContact CH2-O 3.36Å; W212-T220 WeakPolarHBondContact CZ3-O 3.39Å; T220-A222 PolarHBondContact O-N 3.16Å
221V94.6Very high95.8Very high25 Ų2548.9 Ų48.915%0.15224%0.244CC..PPolyproline II helixtrans-48.1131176.2175.90000112.1Y177 Q219 M225 R227Y177-V221 HydrophobicContact CD2-CG2 4.31Å; Y177-V221 HydrophobicContact CE2-CG2 3.81Å; Q219-V221 PolarHBondContact O-N 3.39Å; V221-M225 HydrophobicContact CG1-CB 3.52Å; V221-M225 HydrophobicContact CG1-CG 3.46Å; V221-M225 VanDerWaalsContact CG1-CG 3.46Å; V221-R227 VanDerWaalsContact CG1-CZ 3.41Å; V221-R227 PolarHBondContact O-NH2 2.95Å
222A96.7Very high95.8Very high6 Ų653.8 Ų53.85%0.0527%0.267CS..PPolyproline II helixtrans-60.3155.8-174.100000112.8A205 P209 W212 S213 T220 G224 M225 R227A205-A222 HydrophobicContact CB-CB 4.02Å; P209-A222 HydrophobicContact CB-CB 3.77Å; W212-A222 HydrophobicContact CE3-CB 3.73Å; W212-A222 HydrophobicContact CZ3-CB 3.92Å; S213-A222 WeakPolarHBondContact OG-CB 3.46Å; S213-A222 PolarHBondContact OG-N 3.48Å; T220-A222 PolarHBondContact O-N 3.16Å; A222-G224 VanDerWaalsContact C-N 3.29Å; A222-G224 PolarHBondContact O-N 3.37Å; A222-M225 WeakPolarHBondContact O-CB 3.43Å; A222-M225 PolarHBondContact O-N 3.27Å; A222-R227 PolarHBondContact O-NH2 3.14Å; A222-R227 VanDerWaalsContact O-NH2 3.13Å
223L96Very high95.8Very high172 Ų17258 Ų5890%0.90128%0.283SS*.THydrogen-bonded Turntrans-62.4-37.4178.7-17563.2000112.1M225L223-M225 PolarHBondContact O-N 3.47Å
224G95.3Very high95.9Very high44 Ų4458 Ų5845%0.45428%0.282SS..THydrogen-bonded Turntrans-74.4-6.1179.100000115.1A222A222-G224 VanDerWaalsContact C-N 3.29Å; A222-G224 PolarHBondContact O-N 3.37Å
225M97.1Very high96Very high4 Ų458 Ų582%0.0228%0.282CS..SBendtrans-78.2122.7178.8175.865.6-168.400110.7F181 V210 V221 A222 L223 R227 L234F181-M225 HydrophobicContact CE2-CE 3.43Å; F181-M225 VanDerWaalsContact CE2-CE 3.43Å; F181-M225 HydrophobicContact CZ-CE 3.74Å; F181-M225 HydrophobicContact CZ-SD 4.46Å; V210-M225 HydrophobicContact CB-SD 4.16Å; V210-M225 HydrophobicContact CG1-SD 3.92Å; V210-M225 HydrophobicContact CG2-SD 3.95Å; V221-M225 HydrophobicContact CG1-CB 3.52Å; V221-M225 HydrophobicContact CG1-CG 3.46Å; V221-M225 VanDerWaalsContact CG1-CG 3.46Å; A222-M225 WeakPolarHBondContact O-CB 3.43Å; A222-M225 PolarHBondContact O-N 3.27Å; L223-M225 PolarHBondContact O-N 3.47Å; M225-R227 PolarHBondContact O-N 2.67Å; M225-L234 HydrophobicContact CE-CD1 3.72Å; M225-L234 HydrophobicContact SD-CD1 4.3Å
226P96.2Very high96.1Very high22 Ų2258.6 Ų58.614%0.14329%0.289CS..  trans-65.5129.9177.927.6-35.9000111.4C229 R233P226-C229 HydrophobicContact CB-CB 3.94Å; P226-C229 HydrophobicContact CG-CB 3.82Å; P226-R233 HydrophobicContact CG-CG 4.48Å
227R96.3Very high96.2Very high100 Ų10058.1 Ų58.138%0.37729%0.288SS..SBendtrans-81.3-21.1-179.4-55.1-58.3172.5159.7-4.7113.7Y176 Y177 V221 A222 M225Y176-R227 CarbonylContact C-O 3.56Å; Y176-R227 VanDerWaalsContact CA-O 3.32Å; Y176-R227 WeakPolarHBondContact CA-O 3.46Å; Y177-R227 HydrophobicContact CD1-CB 4.26Å; Y177-R227 PolarHBondContact N-O 3.46Å; V221-R227 VanDerWaalsContact CG1-CZ 3.41Å; V221-R227 PolarHBondContact O-NH2 2.95Å; A222-R227 PolarHBondContact O-NH2 3.14Å; A222-R227 VanDerWaalsContact O-NH2 3.13Å; M225-R227 PolarHBondContact O-N 2.67Å
228L97.6Very high96.5Very high82 Ų8252.9 Ų52.943%0.42927%0.268SS..EExtended strand (participates in β ladder)trans-134.4112.4174179.965.8000107.4R174 Y176R174-L228 HydrophobicContact CB-CD1 3.84Å; R174-L228 HydrophobicContact CB-CG 3.93Å; Y176-L228 HydrophobicContact CD1-CD1 4.22Å; Y176-L228 HydrophobicContact CE1-CD1 4.4Å; Y176-L228 HydrophobicContact CG-CD1 4.35Å
229C97.8Very high97Very high2 Ų244.4 Ų44.41%0.01424%0.236CC..EExtended strand (participates in β ladder)trans-148.9158.1-173.2540000112R174 H175 W180 P226 R233R174-C229 WeakPolarHBondContact CA-O 3.49Å; H175-C229 PolarHBondContact N-O 3.17Å; H175-C229 PolarHBondContact O-N 3.09Å; W180-C229 PolarHBondContact NE1-O 3.23Å; P226-C229 HydrophobicContact CB-CB 3.94Å; P226-C229 HydrophobicContact CG-CB 3.82Å; C229-R233 HydrophobicContact CB-CB 4.19Å; C229-R233 HydrophobicContact CB-CG 4.04Å
230S98.4Very high97.1Very high10 Ų1045.7 Ų45.77%0.0724%0.242CC..  trans-99.3169.8171.974.50000111.3P171 T172 T173 Q232 R233 L234P171-S230 WeakPolarHBondContact O-CB 3.32Å; P171-S230 PolarHBondContact O-OG 3.39Å; T172-S230 VanDerWaalsContact C-CB 3.42Å; T172-S230 WeakPolarHBondContact O-CB 3.49Å; T173-S230 WeakPolarHBondContact O-CA 3.45Å; T173-S230 WeakPolarHBondContact O-CB 3.2Å; S230-Q232 VanDerWaalsContact C-N 3.26Å; S230-Q232 PolarHBondContact O-N 3.04Å; S230-Q232 PolarHBondContact OG-N 3.45Å; S230-R233 PolarHBondContact O-N 3.15Å; S230-R233 VanDerWaalsContact O-N 3.17Å; S230-R233 PolarHBondContact OG-N 3.19Å; S230-L234 WeakPolarHBondContact O-CB 3.36Å; S230-L234 PolarHBondContact O-N 3.22Å
231A98.5Very high97.3Very high1 Ų141 Ų411%0.00821%0.212CC..Hα-helixtrans-53-46.6172.200000111.1T160 L163 A164 P171 W180 R233 L234 V235T160-A231 HydrophobicContact CG2-CB 4.42Å; L163-A231 HydrophobicContact CB-CB 4.13Å; L163-A231 HydrophobicContact CD2-CB 4.15Å; L163-A231 HydrophobicContact CG-CB 4.17Å; A164-A231 HydrophobicContact CB-CB 3.86Å; P171-A231 PolarHBondContact O-N 3.44Å; W180-A231 HydrophobicContact CH2-CB 3.85Å; A231-R233 PolarHBondContact O-N 3.37Å; A231-L234 PolarHBondContact O-N 3.09Å; A231-V235 WeakPolarHBondContact O-CB 3.45Å; A231-V235 VanDerWaalsContact O-CG2 3.32Å; A231-V235 WeakPolarHBondContact O-CG2 3.48Å; A231-V235 PolarHBondContact O-N 3.14Å
232Q98.5Very high97.4Very high104 Ų10439.9 Ų39.949%0.48621%0.205SC..Hα-helixtrans-59.1-44178.7-174.4-177-300112.5T160 P171 T172 S230 G236T160-Q232 HydrophobicContact CG2-CB 3.78Å; T160-Q232 HydrophobicContact CG2-CG 4.38Å; P171-Q232 VanDerWaalsContact O-CB 3.29Å; P171-Q232 WeakPolarHBondContact O-CB 3.49Å; P171-Q232 PolarHBondContact O-N 3.34Å; T172-Q232 VanDerWaalsContact CG2-OE1 3.24Å; S230-Q232 VanDerWaalsContact C-N 3.26Å; S230-Q232 PolarHBondContact O-N 3.04Å; S230-Q232 PolarHBondContact OG-N 3.45Å; Q232-G236 PolarHBondContact O-N 3.26Å
233R98.2Very high97.3Very high130 Ų13040 Ų4049%0.49120%0.204SC..Hα-helixtrans-67.4-38.4-179.9177.761-177.394.3-5.3111.8P226 C229 S230 A231 A237P226-R233 HydrophobicContact CG-CG 4.48Å; C229-R233 HydrophobicContact CB-CB 4.19Å; C229-R233 HydrophobicContact CB-CG 4.04Å; S230-R233 PolarHBondContact O-N 3.15Å; S230-R233 VanDerWaalsContact O-N 3.17Å; S230-R233 PolarHBondContact OG-N 3.19Å; A231-R233 PolarHBondContact O-N 3.37Å; R233-A237 PolarHBondContact O-N 3.42Å
234L98Very high96.8Very high0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-72.7-49.3-178.1-16761.8000111P121 L163 W180 V210 M225 S230 A231 A237 M238P121-L234 HydrophobicContact CB-CD2 3.8Å; L163-L234 HydrophobicContact CD2-CB 4.46Å; L163-L234 HydrophobicContact CD2-CD2 4.09Å; W180-L234 HydrophobicContact CB-CD2 4.49Å; W180-L234 HydrophobicContact CD2-CD2 4.21Å; W180-L234 HydrophobicContact CE3-CD2 4.39Å; W180-L234 HydrophobicContact CG-CD2 4.27Å; V210-L234 HydrophobicContact CG1-CD1 3.57Å; M225-L234 HydrophobicContact CE-CD1 3.72Å; M225-L234 HydrophobicContact SD-CD1 4.3Å; S230-L234 WeakPolarHBondContact O-CB 3.36Å; S230-L234 PolarHBondContact O-N 3.22Å; A231-L234 PolarHBondContact O-N 3.09Å; L234-A237 PolarHBondContact O-N 3.1Å; L234-M238 HydrophobicContact CG-CE 3.94Å; L234-M238 WeakPolarHBondContact O-CG 3.48Å; L234-M238 PolarHBondContact O-N 3.28Å
235V98.5Very high95.6Very high0 Ų035.3 Ų35.30%018%0.176CC..Hα-helixtrans-61.9-44.6176.41700000111.3A159 L163 A231 A237 M238 V239A159-V235 HydrophobicContact CB-CG1 3.53Å; A159-V235 HydrophobicContact CB-CG2 4.21Å; L163-V235 HydrophobicContact CB-CG2 4.21Å; L163-V235 HydrophobicContact CD2-CG2 3.61Å; A231-V235 WeakPolarHBondContact O-CB 3.45Å; A231-V235 VanDerWaalsContact O-CG2 3.32Å; A231-V235 WeakPolarHBondContact O-CG2 3.48Å; A231-V235 PolarHBondContact O-N 3.14Å; V235-A237 VanDerWaalsContact C-N 3.27Å; V235-A237 PolarHBondContact O-N 3.09Å; V235-M238 HydrophobicContact CG2-CE 4.2Å; V235-M238 PolarHBondContact O-N 2.91Å; V235-V239 HydrophobicContact CG1-CG2 4.05Å; V235-V239 WeakPolarHBondContact O-CG2 3.39Å; V235-V239 PolarHBondContact O-N 2.96Å
236G98.2Very high93.8Very high16 Ų1637.6 Ų37.617%0.16519%0.189CC..Hα-helixtrans-54.4-45.1177.700000112.2Q232 E240Q232-G236 PolarHBondContact O-N 3.26Å; G236-E240 WeakPolarHBondContact O-CB 3.44Å; G236-E240 PolarHBondContact O-N 2.9Å; G236-E240 VanDerWaalsContact O-N 3.14Å
237A97.9Very high91.6Very high7 Ų741.4 Ų41.46%0.05821%0.208CC..Hα-helixtrans-66-47.9175.900000112.8V210 R233 L234 V235 V239 E240 E241V210-A237 HydrophobicContact CB-CB 4.11Å; V210-A237 HydrophobicContact CG1-CB 4.3Å; V210-A237 HydrophobicContact CG2-CB 3.64Å; R233-A237 PolarHBondContact O-N 3.42Å; L234-A237 PolarHBondContact O-N 3.1Å; V235-A237 VanDerWaalsContact C-N 3.27Å; V235-A237 PolarHBondContact O-N 3.09Å; A237-V239 VanDerWaalsContact C-N 3.34Å; A237-V239 PolarHBondContact O-N 3.24Å; A237-E240 PolarHBondContact O-N 3.34Å; A237-E241 WeakPolarHBondContact O-CB 3.44Å; A237-E241 VanDerWaalsContact O-CG 3.31Å; A237-E241 WeakPolarHBondContact O-CG 3.29Å; A237-E241 PolarHBondContact O-N 2.9Å
238M98.1Very high88.8Confident0 Ų044.2 Ų44.20%025%0.252CS..Hα-helixtrans-62.8-41.2-178.6-68.5-178.5-63.800111.8C124 L128 V210 V214 L234 V235 E240 E241 I242C124-M238 HydrophobicContact CB-CE 3.66Å; C124-M238 HydrophobicContact CB-SD 4.4Å; C124-M238 WeakPolarHBondContact SG-CE 3.24Å; L128-M238 HydrophobicContact CD1-CB 3.67Å; V210-M238 HydrophobicContact CG1-CG 3.67Å; V210-M238 HydrophobicContact CG1-SD 4.49Å; V214-M238 HydrophobicContact CG2-SD 4.48Å; L234-M238 HydrophobicContact CG-CE 3.94Å; L234-M238 WeakPolarHBondContact O-CG 3.48Å; L234-M238 PolarHBondContact O-N 3.28Å; V235-M238 HydrophobicContact CG2-CE 4.2Å; V235-M238 PolarHBondContact O-N 2.91Å; M238-E240 PolarHBondContact O-N 3.2Å; M238-E241 PolarHBondContact O-N 2.95Å; M238-I242 HydrophobicContact CB-CD1 4.41Å; M238-I242 WeakPolarHBondContact O-CB 3.35Å; M238-I242 WeakPolarHBondContact O-CD1 3.3Å; M238-I242 WeakPolarHBondContact O-CG1 3.21Å; M238-I242 PolarHBondContact O-N 3.43Å
239V97.9Very high88.4Confident1 Ų142.3 Ų42.31%0.00624%0.243CC..Hα-helixtrans-62.6-44.2176.11730000110.8L128 L152 L155 R156 V235 A237 F243L128-V239 HydrophobicContact CD1-CG2 4.09Å; L128-V239 HydrophobicContact CD2-CG2 3.93Å; L152-V239 HydrophobicContact CD2-CG1 4.1Å; L155-V239 HydrophobicContact CD2-CG2 4.39Å; L155-V239 HydrophobicContact CG-CG2 4.36Å; R156-V239 HydrophobicContact CG-CB 4.13Å; R156-V239 HydrophobicContact CG-CG1 3.99Å; R156-V239 HydrophobicContact CG-CG2 4.07Å; V235-V239 HydrophobicContact CG1-CG2 4.05Å; V235-V239 WeakPolarHBondContact O-CG2 3.39Å; V235-V239 PolarHBondContact O-N 2.96Å; A237-V239 VanDerWaalsContact C-N 3.34Å; A237-V239 PolarHBondContact O-N 3.24Å; V239-F243 HydrophobicContact CG1-CD2 4.12Å; V239-F243 WeakPolarHBondContact O-CB 3.47Å; V239-F243 WeakPolarHBondContact O-CD2 3.49Å; V239-F243 PolarHBondContact O-N 3.16Å
240E96.4Very high87.9Confident113 Ų11344.4 Ų44.453%0.52826%0.255SS..Hα-helixtrans-62.2-48.7176.5-174.7173.1-174.700111.5G236 A237 M238 I242 S244G236-E240 WeakPolarHBondContact O-CB 3.44Å; G236-E240 PolarHBondContact O-N 2.9Å; G236-E240 VanDerWaalsContact O-N 3.14Å; A237-E240 PolarHBondContact O-N 3.34Å; M238-E240 PolarHBondContact O-N 3.2Å; E240-I242 VanDerWaalsContact C-N 3.34Å; E240-I242 PolarHBondContact O-N 3.18Å; E240-S244 WeakPolarHBondContact O-CB 3.3Å; E240-S244 PolarHBondContact O-N 3.17Å; E240-S244 PolarHBondContact O-OG 2.77Å
241E97.1Very high87.3Confident23 Ų2346.3 Ų46.311%0.10727%0.265CS..Hα-helixtrans-65.2-33-179.4-73.1178.3-174.200113.2Q208 P209 V210 C211 A237 M238 V245Q208-E241 VanDerWaalsContact CA-CD 3.43Å; Q208-E241 WeakPolarHBondContact CA-OE2 3.46Å; Q208-E241 HydrophobicContact CB-CB 4.1Å; Q208-E241 HydrophobicContact CB-CG 4.13Å; Q208-E241 HydrophobicContact CG-CB 3.84Å; Q208-E241 HydrophobicContact CG-CG 4.16Å; P209-E241 VanDerWaalsContact CD-OE1 3.22Å; P209-E241 WeakPolarHBondContact CD-OE1 3.42Å; V210-E241 WeakPolarHBondContact CB-OE1 3.39Å; V210-E241 WeakPolarHBondContact CG2-OE1 3.46Å; V210-E241 PolarHBondContact N-OE1 3.06Å; V210-E241 PolarHBondContact N-OE2 3.18Å; C211-E241 WeakPolarHBondContact CB-OE2 3.31Å; C211-E241 PolarHBondContact N-OE2 3.4Å; C211-E241 PolarHBondContact SG-OE2 3.33Å; A237-E241 WeakPolarHBondContact O-CB 3.44Å; A237-E241 VanDerWaalsContact O-CG 3.31Å; A237-E241 WeakPolarHBondContact O-CG 3.29Å; A237-E241 PolarHBondContact O-N 2.9Å; M238-E241 PolarHBondContact O-N 2.95Å; E241-V245 WeakPolarHBondContact O-CG2 3.41Å
242I96.6Very high86.6Confident0 Ų049 Ų490%028%0.28CS..Hα-helixtrans-84.9-42.6-175.8-69.7172.6000111.8F125 L128 R132 W202 M238 E240F125-I242 HydrophobicContact CD2-CD1 3.87Å; F125-I242 HydrophobicContact CE2-CD1 4.04Å; F125-I242 HydrophobicContact CE2-CG1 4.43Å; L128-I242 HydrophobicContact CB-CD1 3.49Å; L128-I242 VanDerWaalsContact CB-CD1 3.49Å; L128-I242 HydrophobicContact CB-CG2 4.41Å; L128-I242 HydrophobicContact CD1-CD1 3.78Å; L128-I242 HydrophobicContact CG-CD1 4.28Å; R132-I242 HydrophobicContact CB-CG2 3.99Å; R132-I242 WeakPolarHBondContact CD-O 3.5Å; R132-I242 HydrophobicContact CG-CG2 4.23Å; W202-I242 HydrophobicContact CH2-CG1 3.97Å; W202-I242 HydrophobicContact CZ2-CG1 4.03Å; M238-I242 HydrophobicContact CB-CD1 4.41Å; M238-I242 WeakPolarHBondContact O-CB 3.35Å; M238-I242 WeakPolarHBondContact O-CD1 3.3Å; M238-I242 WeakPolarHBondContact O-CG1 3.21Å; M238-I242 PolarHBondContact O-N 3.43Å; E240-I242 VanDerWaalsContact C-N 3.34Å; E240-I242 PolarHBondContact O-N 3.18Å
243F94.9Very high85.9Confident8 Ų845.6 Ų45.64%0.03527%0.268CS..Hα-helixtrans-94.8-16.2-173-68.2-86.4000113.8L128 L131 R132 F136 C140 L152 L155 V239 L247L128-F243 HydrophobicContact CB-CE2 4.38Å; L128-F243 HydrophobicContact CD2-CE2 4.19Å; L131-F243 HydrophobicContact CB-CZ 4.09Å; R132-F243 HydrophobicContact CB-CE1 4.07Å; R132-F243 HydrophobicContact CB-CZ 4.16Å; R132-F243 HydrophobicContact CG-CE1 4.48Å; F136-F243 AromaticContact CD1-CE1 3.71Å; F136-F243 HydrophobicContact CD1-CE1 3.71Å; F136-F243 AromaticContact CD1-CZ 3.95Å; F136-F243 HydrophobicContact CD1-CZ 3.95Å; F136-F243 HydrophobicContact CE1-CD1 4.37Å; F136-F243 AromaticContact CE1-CE1 3.73Å; F136-F243 HydrophobicContact CE1-CE1 3.73Å; F136-F243 AromaticContact CE1-CZ 3.88Å; F136-F243 HydrophobicContact CE1-CZ 3.88Å; C140-F243 HydrophobicContact CB-CD1 4.32Å; L152-F243 HydrophobicContact CD1-CB 4.45Å; L152-F243 HydrophobicContact CD2-CB 3.86Å; L152-F243 HydrophobicContact CD2-CD1 4.08Å; L152-F243 HydrophobicContact CD2-CD2 4.08Å; L152-F243 HydrophobicContact CD2-CG 3.72Å; L155-F243 HydrophobicContact CD2-CD2 4.36Å; L155-F243 HydrophobicContact CD2-CE2 3.66Å; L155-F243 HydrophobicContact CD2-CZ 3.93Å; V239-F243 HydrophobicContact CG1-CD2 4.12Å; V239-F243 WeakPolarHBondContact O-CB 3.47Å; V239-F243 WeakPolarHBondContact O-CD2 3.49Å; V239-F243 PolarHBondContact O-N 3.16Å; F243-L247 WeakPolarHBondContact O-CG 3.18Å
244S86.4Confident85.1Confident58 Ų5839.9 Ų39.941%0.40625%0.253SS..SBendtrans-81.9-19176.4-46.80000113.7E240 N246 L247E240-S244 WeakPolarHBondContact O-CB 3.3Å; E240-S244 PolarHBondContact O-N 3.17Å; E240-S244 PolarHBondContact O-OG 2.77Å; S244-N246 PolarHBondContact O-N 3.03Å; S244-N246 VanDerWaalsContact O-N 3.17Å; S244-L247 PolarHBondContact O-N 2.81Å; S244-L247 VanDerWaalsContact O-N 3.13Å
245V69.8Low84.1Confident60 Ų6042.8 Ų42.836%0.36427%0.271SS..THydrogen-bonded Turntrans-63.3-24.4-176.9170.80000113W202 E241W202-V245 HydrophobicContact CZ3-CG2 3.85Å; E241-V245 WeakPolarHBondContact O-CG2 3.41Å
246N58Low83Confident52 Ų5246.1 Ų46.128%0.27829%0.292SS..THydrogen-bonded Turntrans-1075.9179.8-58.9-50.5000113.2R141 S244R141-N246 HydrophobicContact CG-CB 4.36Å; S244-N246 PolarHBondContact O-N 3.03Å; S244-N246 VanDerWaalsContact O-N 3.17Å
247L50.8Low81.8Confident103 Ų10348.6 Ų48.654%0.53930%0.302SS..  trans-94.710.7179.2-69.1174.7000112.8F243 S244F243-L247 WeakPolarHBondContact O-CG 3.18Å; S244-L247 PolarHBondContact O-N 2.81Å; S244-L247 VanDerWaalsContact O-N 3.13Å
248A37.4Very low80.3Confident158 Ų15852.4 Ų52.4100%1.30632%0.324SS*.  trans-1170176.500000111.6

Retrieved 248 of 248 residues in 123.3 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).