A0A3Q0KGQ9_SCHMA Loading...

GPI ethanolamine phosphate transferase 2

AlphaFold DB , UniProt , Accession A0A3Q0KGQ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 931 aa.

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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
1M29.5Very low45.3Very low219 Ų219108.1 Ų108.1100%1.07958%0.582SS**  0-33.80-81.3-174.2172.400114.1I3 L4M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.17Å; M1-L4 PolarHBondContact O-N 2.95Å
2G31Very low47.7Very low75 Ų75100.3 Ų100.377%0.77354%0.542SS*.G310 helixtrans-68.4-21.2179.300000116.6L4G2-L4 VanDerWaalsContact C-N 3.3Å; G2-L4 PolarHBondContact O-N 2.95Å
3I27.8Very low49.9Very low160 Ų16099.5 Ų99.582%0.82153%0.534SS*.G310 helixtrans-75.3-17.8179-62.8171.5000112.1M1M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.17Å
4L28.8Very low52.3Low86 Ų86102.4 Ų102.445%0.4554%0.54SS..G310 helixtrans-90.9-4.8-170.9-75.4161.8000115.3M1 G2M1-L4 PolarHBondContact O-N 2.95Å; G2-L4 VanDerWaalsContact C-N 3.3Å; G2-L4 PolarHBondContact O-N 2.95Å
5A30.5Very low54.6Low79 Ų7996.3 Ų96.365%0.65351%0.508SS*.SBendtrans-101.3-4.5-168.300000116
6K36.2Very low56.5Low176 Ų17691 Ų9177%0.76548%0.48SS*.  trans-131.290.3176-73.3-177177.6-179.70109.3N8K6-N8 PolarHBondContact O-N 3.48Å; K6-N8 VanDerWaalsContact O-N 3.14Å
7I46.5Very low58.4Low16 Ų1688.1 Ų88.18%0.08248%0.476CS..  trans-70.7109163.3-70.9173.4000107.3E11 C12 K477 C875I7-E11 WeakPolarHBondContact CA-OE2 3.08Å; I7-E11 WeakPolarHBondContact CG1-OE2 3.45Å; I7-E11 HydrophobicContact CG2-CB 4.1Å; I7-C12 HydrophobicContact CG2-CB 4.1Å; I7-C12 WeakPolarHBondContact CG2-SG 3.49Å; I7-K477 HydrophobicContact CD1-CD 3.13Å; I7-K477 HydrophobicContact CD1-CG 4.49Å; I7-K477 HydrophobicContact CG1-CD 3.74Å; I7-C875 HydrophobicContact CD1-CB 4.32Å; I7-C875 WeakPolarHBondContact CD1-SG 3.46Å
8N61.1Low60.3Low84 Ų8485.2 Ų85.245%0.44946%0.462SS..  trans-71.8150.7161.8-164.8-16.3000108.7K6 Y10 E11 C12K6-N8 PolarHBondContact O-N 3.48Å; K6-N8 VanDerWaalsContact O-N 3.14Å; N8-Y10 HydrophobicContact CB-CD2 4.49Å; N8-Y10 WeakPolarHBondContact ND2-CD2 3.35Å; N8-Y10 PolarHBondContact O-N 3.31Å; N8-E11 PolarHBondContact O-N 3.01Å; N8-C12 PolarHBondContact O-N 2.05Å
9V65.3Low62Low59 Ų5980.7 Ų80.736%0.35844%0.438SS..Hα-helixtrans-44.8-37.4175.8175.60000111.8E11 C12 M13V9-E11 PolarHBondContact O-N 3.21Å; V9-C12 WeakPolarHBondContact O-CB 3.07Å; V9-C12 PolarHBondContact O-N 3.35Å; V9-M13 HydrophobicContact CG1-CG 4.45Å; V9-M13 HydrophobicContact CG1-SD 4.25Å; V9-M13 WeakPolarHBondContact O-CG 3.31Å; V9-M13 PolarHBondContact O-N 3.24Å
10Y70.4Confident63.6Low172 Ų17278.7 Ų78.768%0.67543%0.43SS*.Hα-helixtrans-60.9-38.9175.7-59.4-73000115N8 M13 F14N8-Y10 HydrophobicContact CB-CD2 4.49Å; N8-Y10 WeakPolarHBondContact ND2-CD2 3.35Å; N8-Y10 PolarHBondContact O-N 3.31Å; Y10-M13 PolarHBondContact O-N 3.14Å; Y10-F14 WeakPolarHBondContact O-CB 3.48Å; Y10-F14 PolarHBondContact O-N 3.28Å
11E71.7Confident65.1Low63 Ų6380.4 Ų80.429%0.29443%0.434SS..Hα-helixtrans-72.9-35.9177.3-176.4-167.3174.500110.5I7 N8 V9 F14 L15 K477I7-E11 WeakPolarHBondContact CA-OE2 3.08Å; I7-E11 WeakPolarHBondContact CG1-OE2 3.45Å; I7-E11 HydrophobicContact CG2-CB 4.1Å; N8-E11 PolarHBondContact O-N 3.01Å; V9-E11 PolarHBondContact O-N 3.21Å; E11-F14 PolarHBondContact O-N 3.13Å; E11-L15 WeakPolarHBondContact O-CB 3.29Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 3.35Å; E11-K477 VanDerWaalsContact CD-NZ 3.33Å; E11-K477 IonicContact OE1-NZ 3.08Å; E11-K477 PolarHBondContact OE1-NZ 3.01Å; E11-K477 IonicContact OE2-NZ 3.71Å
12C73.3Confident68.2Low15 Ų1570 Ų7010%0.10138%0.382CS..Hα-helixtrans-58-47.9168.4-90.70000111.3I7 N8 V9 F14 L15 L16I7-C12 HydrophobicContact CG2-CB 4.1Å; I7-C12 WeakPolarHBondContact CG2-SG 3.49Å; N8-C12 PolarHBondContact O-N 2.05Å; V9-C12 WeakPolarHBondContact O-CB 3.07Å; V9-C12 PolarHBondContact O-N 3.35Å; C12-F14 VanDerWaalsContact C-N 3.31Å; C12-F14 PolarHBondContact O-N 3.42Å; C12-L15 PolarHBondContact O-N 3.24Å; C12-L16 WeakPolarHBondContact O-CB 3.36Å; C12-L16 VanDerWaalsContact O-CG 3.25Å; C12-L16 WeakPolarHBondContact O-CG 3.27Å; C12-L16 PolarHBondContact O-N 3.38Å
13M76.3Confident71.3Confident89 Ų8966.6 Ų66.644%0.43835%0.346SS..Hα-helixtrans-61.7-39.9177.5-71.2-178.671.200111.9V9 Y10 L16 G17V9-M13 HydrophobicContact CG1-CG 4.45Å; V9-M13 HydrophobicContact CG1-SD 4.25Å; V9-M13 WeakPolarHBondContact O-CG 3.31Å; V9-M13 PolarHBondContact O-N 3.24Å; Y10-M13 PolarHBondContact O-N 3.14Å; M13-L16 PolarHBondContact O-N 2.57Å; M13-G17 PolarHBondContact O-N 3.11Å
14F84.3Confident74.4Confident141 Ų14165.5 Ų65.562%0.61834%0.336SS*.Hα-helixtrans-62.4-48.8174.7176.8-99.4000111.9Y10 E11 C12 L16 G17 V18Y10-F14 WeakPolarHBondContact O-CB 3.48Å; Y10-F14 PolarHBondContact O-N 3.28Å; E11-F14 PolarHBondContact O-N 3.13Å; C12-F14 VanDerWaalsContact C-N 3.31Å; C12-F14 PolarHBondContact O-N 3.42Å; F14-L16 VanDerWaalsContact C-N 3.3Å; F14-L16 PolarHBondContact O-N 2.93Å; F14-G17 WeakPolarHBondContact O-CA 3.47Å; F14-G17 PolarHBondContact O-N 3.01Å; F14-G17 VanDerWaalsContact O-N 3.09Å; F14-V18 HydrophobicContact CD1-CG2 4.34Å; F14-V18 HydrophobicContact CE1-CG2 3.88Å; F14-V18 HydrophobicContact CE2-CG2 4.26Å; F14-V18 HydrophobicContact CZ-CG2 3.84Å; F14-V18 WeakPolarHBondContact O-CG2 3.41Å; F14-V18 PolarHBondContact O-N 2.82Å
15L86.2Confident77.4Confident11 Ų1162.5 Ų62.56%0.05832%0.32CS..Hα-helixtrans-59.3-41.7176.7-72.9174.7000111.8E11 C12 G17 V18 Y19 V470 L473 L474E11-L15 WeakPolarHBondContact O-CB 3.29Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 3.35Å; C12-L15 PolarHBondContact O-N 3.24Å; L15-G17 VanDerWaalsContact C-N 3.35Å; L15-V18 PolarHBondContact O-N 2.79Å; L15-Y19 WeakPolarHBondContact O-CB 2.81Å; L15-Y19 PolarHBondContact O-N 3.38Å; L15-V470 HydrophobicContact CB-CG1 4.05Å; L15-V470 HydrophobicContact CD2-CG1 4.45Å; L15-V470 HydrophobicContact CD2-CG2 4.33Å; L15-L473 HydrophobicContact CD2-CD1 3.89Å; L15-L474 HydrophobicContact CD1-CD2 4.18Å
16L85.2Confident80.5Confident11 Ų1158.9 Ų58.96%0.05829%0.29CS..Hα-helixtrans-65.6-37.7174.7-69.7168.6000111.8C12 M13 F14 Y19 S20 L878 Y916 V920C12-L16 WeakPolarHBondContact O-CB 3.36Å; C12-L16 VanDerWaalsContact O-CG 3.25Å; C12-L16 WeakPolarHBondContact O-CG 3.27Å; C12-L16 PolarHBondContact O-N 3.38Å; M13-L16 PolarHBondContact O-N 2.57Å; F14-L16 VanDerWaalsContact C-N 3.3Å; F14-L16 PolarHBondContact O-N 2.93Å; L16-Y19 PolarHBondContact O-N 2.73Å; L16-S20 WeakPolarHBondContact O-CB 2.97Å; L16-S20 PolarHBondContact O-N 2.96Å; L16-S20 PolarHBondContact O-OG 3.4Å; L16-L878 HydrophobicContact CD1-CD1 4.01Å; L16-L878 HydrophobicContact CD1-CD2 4.36Å; L16-L878 HydrophobicContact CD2-CD1 4.39Å; L16-L878 HydrophobicContact CD2-CD2 4.08Å; L16-L878 HydrophobicContact CG-CD1 4.44Å; L16-Y916 HydrophobicContact CD2-CE2 4.23Å; L16-Y916 PolarHBondContact O-OH 3.48Å; L16-V920 HydrophobicContact CB-CG1 4.37Å; L16-V920 HydrophobicContact CD1-CG1 3.86Å; L16-V920 HydrophobicContact CD2-CG1 4.01Å; L16-V920 HydrophobicContact CD2-CG2 4.41Å; L16-V920 HydrophobicContact CG-CG1 4.3Å
17G88.9Confident83.1Confident41 Ų4151.3 Ų51.342%0.42326%0.257SS..Hα-helixtrans-60.6-46.8172.600000112.4M13 F14 L15 Y19 S20 F21M13-G17 PolarHBondContact O-N 3.11Å; F14-G17 WeakPolarHBondContact O-CA 3.47Å; F14-G17 PolarHBondContact O-N 3.01Å; F14-G17 VanDerWaalsContact O-N 3.09Å; L15-G17 VanDerWaalsContact C-N 3.35Å; G17-Y19 VanDerWaalsContact C-N 3.35Å; G17-Y19 PolarHBondContact O-N 2.87Å; G17-S20 PolarHBondContact O-N 3.05Å; G17-F21 WeakPolarHBondContact O-CB 3.43Å; G17-F21 PolarHBondContact O-N 3.22Å
18V92.3Very high84.9Confident36 Ų3652.2 Ų52.222%0.21827%0.265CS..Hα-helixtrans-62.4-42.2175.6176.10000111.2F14 L15 F21 G22 L466 V470F14-V18 HydrophobicContact CD1-CG2 4.34Å; F14-V18 HydrophobicContact CE1-CG2 3.88Å; F14-V18 HydrophobicContact CE2-CG2 4.26Å; F14-V18 HydrophobicContact CZ-CG2 3.84Å; F14-V18 WeakPolarHBondContact O-CG2 3.41Å; F14-V18 PolarHBondContact O-N 2.82Å; L15-V18 PolarHBondContact O-N 2.79Å; V18-F21 PolarHBondContact O-N 3.36Å; V18-G22 PolarHBondContact O-N 3.5Å; V18-L466 HydrophobicContact CG1-CD2 4.27Å; V18-V470 HydrophobicContact CB-CG2 3.96Å; V18-V470 HydrophobicContact CG1-CG2 3.73Å
19Y93.8Very high86.1Confident0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-64.7-45.3177.2-170.3-85.9000111.8L15 L16 G17 F21 G22 L23 M467 V470 V882 I885 T886 Y916L15-Y19 WeakPolarHBondContact O-CB 2.81Å; L15-Y19 PolarHBondContact O-N 3.38Å; L16-Y19 PolarHBondContact O-N 2.73Å; G17-Y19 VanDerWaalsContact C-N 3.35Å; G17-Y19 PolarHBondContact O-N 2.87Å; Y19-F21 VanDerWaalsContact C-N 3.28Å; Y19-F21 PolarHBondContact O-N 3.29Å; Y19-G22 PolarHBondContact O-N 3.43Å; Y19-L23 HydrophobicContact CE1-CB 4.45Å; Y19-L23 HydrophobicContact CE1-CD2 4.42Å; Y19-L23 VanDerWaalsContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CB 3.39Å; Y19-L23 PolarHBondContact O-N 3.45Å; Y19-M467 HydrophobicContact CD2-CB 4.26Å; Y19-M467 HydrophobicContact CD2-CG 4.37Å; Y19-M467 HydrophobicContact CE2-CB 3.81Å; Y19-M467 HydrophobicContact CE2-CE 4.42Å; Y19-M467 HydrophobicContact CE2-CG 4.03Å; Y19-M467 WeakPolarHBondContact OH-CE 3.28Å; Y19-V470 HydrophobicContact CD2-CB 4.02Å; Y19-V470 HydrophobicContact CD2-CG1 4.1Å; Y19-V882 HydrophobicContact CD1-CG1 4.27Å; Y19-V882 HydrophobicContact CD2-CB 4.29Å; Y19-V882 HydrophobicContact CD2-CG1 4.21Å; Y19-V882 HydrophobicContact CE1-CB 4.38Å; Y19-V882 HydrophobicContact CE1-CG1 4.06Å; Y19-V882 HydrophobicContact CE2-CB 3.7Å; Y19-V882 HydrophobicContact CE2-CG1 4.01Å; Y19-V882 HydrophobicContact CE2-CG2 4.46Å; Y19-V882 HydrophobicContact CG-CG1 4.33Å; Y19-V882 PolarHBondContact OH-O 3.45Å; Y19-I885 VanDerWaalsContact OH-CB 3.29Å; Y19-I885 WeakPolarHBondContact OH-CB 3.32Å; Y19-I885 VanDerWaalsContact OH-CG2 3.3Å; Y19-I885 WeakPolarHBondContact OH-CG2 3.49Å; Y19-T886 WeakPolarHBondContact CE2-OG1 3.32Å; Y19-T886 PolarHBondContact OH-OG1 3.34Å; Y19-Y916 HydrophobicContact CD1-CD2 4.06Å; Y19-Y916 HydrophobicContact CD1-CE1 4.09Å; Y19-Y916 AromaticContact CD1-CE2 3.38Å; Y19-Y916 HydrophobicContact CD1-CE2 3.38Å; Y19-Y916 AromaticContact CD1-CZ 3.43Å; Y19-Y916 VanDerWaalsContact CD1-CZ 3.43Å; Y19-Y916 AromaticContact CE1-CD2 3.89Å; Y19-Y916 HydrophobicContact CE1-CD2 3.89Å; Y19-Y916 AromaticContact CE1-CE2 3.68Å; Y19-Y916 HydrophobicContact CE1-CE2 3.68Å; Y19-Y916 HydrophobicContact CE1-CG 4.43Å; Y19-Y916 HydrophobicContact CG-CE2 4.32Å
20S93.3Very high87Confident41 Ų4145.4 Ų45.429%0.28723%0.226SC..Hα-helixtrans-58.4-41.8176-59.70000111.5L16 G17 F24 Y916L16-S20 WeakPolarHBondContact O-CB 2.97Å; L16-S20 PolarHBondContact O-N 2.96Å; L16-S20 PolarHBondContact O-OG 3.4Å; G17-S20 PolarHBondContact O-N 3.05Å; S20-F24 WeakPolarHBondContact O-CB 3.26Å; S20-F24 PolarHBondContact O-N 3.32Å; S20-Y916 VanDerWaalsContact OG-CE1 3.24Å; S20-Y916 WeakPolarHBondContact OG-CE1 3.32Å; S20-Y916 PolarHBondContact OG-OH 3.39Å
21F94.5Very high87.3Confident115 Ų11538 Ų3850%0.50420%0.198SC..Hα-helixtrans-66.4-46176-177.3-113.8000112.1G17 V18 Y19 L23 F24 I25 L466G17-F21 WeakPolarHBondContact O-CB 3.43Å; G17-F21 PolarHBondContact O-N 3.22Å; V18-F21 PolarHBondContact O-N 3.36Å; Y19-F21 VanDerWaalsContact C-N 3.28Å; Y19-F21 PolarHBondContact O-N 3.29Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 3.47Å; F21-F24 PolarHBondContact O-N 2.95Å; F21-I25 HydrophobicContact CD1-CD1 3.99Å; F21-I25 HydrophobicContact CE1-CD1 3.48Å; F21-I25 VanDerWaalsContact CE1-CD1 3.48Å; F21-I25 HydrophobicContact CE2-CD1 4.07Å; F21-I25 HydrophobicContact CE2-CG1 4.4Å; F21-I25 HydrophobicContact CZ-CD1 3.54Å; F21-I25 HydrophobicContact CZ-CG1 4.34Å; F21-I25 WeakPolarHBondContact O-CG1 3.26Å; F21-I25 PolarHBondContact O-N 2.98Å; F21-L466 HydrophobicContact CD1-CD1 3.91Å; F21-L466 HydrophobicContact CE1-CD1 4.23Å
22G95.7Very high87Confident0 Ų035.8 Ų35.80%019%0.189CC..Hα-helixtrans-59.5-43.9174.800000112.6V18 Y19 I25 F26 G463V18-G22 PolarHBondContact O-N 3.5Å; Y19-G22 PolarHBondContact O-N 3.43Å; G22-I25 PolarHBondContact O-N 3.31Å; G22-F26 WeakPolarHBondContact O-CB 3.47Å; G22-F26 PolarHBondContact O-N 3.49Å; G22-G463 CarbonylContact O-C 3.4Å; G22-G463 WeakPolarHBondContact O-CA 3.42Å
23L95.1Very high86.5Confident4 Ų440.3 Ų40.32%0.02121%0.212CC..Hα-helixtrans-61.1-45.6175178.363.3000111.4Y19 F21 I25 F26 M27 M467 I885 M909 A913 Y916Y19-L23 HydrophobicContact CE1-CB 4.45Å; Y19-L23 HydrophobicContact CE1-CD2 4.42Å; Y19-L23 VanDerWaalsContact O-CB 3.26Å; Y19-L23 WeakPolarHBondContact O-CB 3.39Å; Y19-L23 PolarHBondContact O-N 3.45Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 3.47Å; L23-I25 PolarHBondContact O-N 3.46Å; L23-F26 PolarHBondContact O-N 3.4Å; L23-M27 HydrophobicContact CD1-CG 4.14Å; L23-M27 HydrophobicContact CG-CG 4.45Å; L23-M27 WeakPolarHBondContact O-CB 3.24Å; L23-M27 VanDerWaalsContact O-CG 3.27Å; L23-M27 WeakPolarHBondContact O-CG 3.35Å; L23-M27 PolarHBondContact O-N 3.24Å; L23-M467 HydrophobicContact CB-SD 4.48Å; L23-M467 HydrophobicContact CD1-CE 4.02Å; L23-M467 HydrophobicContact CD1-SD 4.37Å; L23-I885 HydrophobicContact CD1-CG2 4.28Å; L23-M909 HydrophobicContact CD1-CE 3.33Å; L23-A913 HydrophobicContact CD1-CB 4.06Å; L23-A913 HydrophobicContact CD2-CB 4.06Å; L23-A913 HydrophobicContact CG-CB 4.34Å; L23-Y916 HydrophobicContact CD2-CD1 3.73Å; L23-Y916 HydrophobicContact CD2-CE1 4.31Å; L23-Y916 HydrophobicContact CD2-CG 4.18Å
24F92.9Very high85.3Confident137 Ų13739.8 Ų39.860%0.60121%0.211SC*.Hα-helixtrans-57.8-50.9177175.3-99000111.5S20 F21 F26 M27 S28S20-F24 WeakPolarHBondContact O-CB 3.26Å; S20-F24 PolarHBondContact O-N 3.32Å; F21-F24 PolarHBondContact O-N 2.95Å; F24-F26 VanDerWaalsContact C-N 3.32Å; F24-F26 PolarHBondContact O-N 2.92Å; F24-M27 PolarHBondContact O-N 3.43Å; F24-S28 PolarHBondContact O-N 2.72Å; F24-S28 PolarHBondContact O-OG 3.15Å; F24-S28 VanDerWaalsContact O-OG 3.05Å
25I93.1Very high83.4Confident23 Ų2337.7 Ų37.712%0.11821%0.212CC..Hα-helixtrans-61.1-43.1177.9-64.6179.6000111.2F21 G22 L23 M27 S28 G29 Q459 F462 L466F21-I25 HydrophobicContact CD1-CD1 3.99Å; F21-I25 HydrophobicContact CE1-CD1 3.48Å; F21-I25 VanDerWaalsContact CE1-CD1 3.48Å; F21-I25 HydrophobicContact CE2-CD1 4.07Å; F21-I25 HydrophobicContact CE2-CG1 4.4Å; F21-I25 HydrophobicContact CZ-CD1 3.54Å; F21-I25 HydrophobicContact CZ-CG1 4.34Å; F21-I25 WeakPolarHBondContact O-CG1 3.26Å; F21-I25 PolarHBondContact O-N 2.98Å; G22-I25 PolarHBondContact O-N 3.31Å; L23-I25 PolarHBondContact O-N 3.46Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 3.2Å; I25-S28 PolarHBondContact O-N 2.94Å; I25-G29 PolarHBondContact O-N 3.45Å; I25-Q459 HydrophobicContact CG2-CB 4.08Å; I25-Q459 HydrophobicContact CG2-CG 4.42Å; I25-Q459 WeakPolarHBondContact CG2-O 3.04Å; I25-F462 HydrophobicContact CD1-CD1 3.58Å; I25-F462 HydrophobicContact CD1-CE1 3.42Å; I25-F462 VanDerWaalsContact CD1-CE1 3.42Å; I25-F462 HydrophobicContact CG2-CD1 3.94Å; I25-L466 HydrophobicContact CD1-CD1 4.42Å
26F94.5Very high81.4Confident3 Ų340 Ų401%0.01323%0.233CC..Hα-helixtrans-58.8-47.3177.3-176.9-84.6000110.8G22 L23 F24 G29 L30 M460 M467 G889 C892 F893 M909G22-F26 WeakPolarHBondContact O-CB 3.47Å; G22-F26 PolarHBondContact O-N 3.49Å; L23-F26 PolarHBondContact O-N 3.4Å; F24-F26 VanDerWaalsContact C-N 3.32Å; F24-F26 PolarHBondContact O-N 2.92Å; F26-G29 CarbonylContact O-C 3.57Å; F26-G29 WeakPolarHBondContact O-CA 3.33Å; F26-G29 PolarHBondContact O-N 3.13Å; F26-G29 VanDerWaalsContact O-N 3.08Å; F26-L30 HydrophobicContact CE1-CB 4.24Å; F26-L30 HydrophobicContact CE1-CD2 4.14Å; F26-L30 WeakPolarHBondContact O-CB 3.43Å; F26-L30 PolarHBondContact O-N 3.29Å; F26-M460 HydrophobicContact CD2-CB 4.19Å; F26-M460 VanDerWaalsContact CD2-O 3.25Å; F26-M460 WeakPolarHBondContact CD2-O 3.48Å; F26-M460 HydrophobicContact CE1-CE 4.49Å; F26-M460 HydrophobicContact CE2-CB 3.98Å; F26-M460 HydrophobicContact CE2-CE 4.08Å; F26-M460 HydrophobicContact CE2-CG 4.37Å; F26-M460 HydrophobicContact CZ-CE 3.71Å; F26-M467 HydrophobicContact CB-SD 3.94Å; F26-M467 HydrophobicContact CD2-SD 4.48Å; F26-M467 HydrophobicContact CG-SD 4.16Å; F26-G889 WeakPolarHBondContact CE2-O 3.29Å; F26-G889 WeakPolarHBondContact CZ-O 3.35Å; F26-C892 HydrophobicContact CZ-CB 4.19Å; F26-F893 HydrophobicContact CE2-CB 4.49Å; F26-M909 HydrophobicContact CD1-CE 3.96Å; F26-M909 HydrophobicContact CE1-CE 4.17Å; F26-M909 HydrophobicContact CE1-CG 4.15Å; F26-M909 HydrophobicContact CE1-SD 4.44Å
27M90.3Very high79.5Confident17 Ų1743.7 Ų43.78%0.08426%0.256CS..Hα-helixtrans-64.8-38178-68.3-53.5-63.500111.9L23 F24 I25 G29 L30 M31 M909 L910 A913L23-M27 HydrophobicContact CD1-CG 4.14Å; L23-M27 HydrophobicContact CG-CG 4.45Å; L23-M27 WeakPolarHBondContact O-CB 3.24Å; L23-M27 VanDerWaalsContact O-CG 3.27Å; L23-M27 WeakPolarHBondContact O-CG 3.35Å; L23-M27 PolarHBondContact O-N 3.24Å; F24-M27 PolarHBondContact O-N 3.43Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 3.2Å; M27-G29 PolarHBondContact O-N 2.77Å; M27-L30 HydrophobicContact CE-CD2 4.12Å; M27-L30 PolarHBondContact O-N 3.03Å; M27-L30 HydrophobicContact SD-CD2 4.11Å; M27-M31 HydrophobicContact CB-CE 4.04Å; M27-M31 HydrophobicContact CE-CE 3.37Å; M27-M31 HydrophobicContact CE-SD 3.88Å; M27-M31 WeakPolarHBondContact O-CB 3.25Å; M27-M31 PolarHBondContact O-N 3Å; M27-M909 HydrophobicContact SD-CE 3.99Å; M27-M909 HydrophobicContact SD-CG 3.7Å; M27-L910 HydrophobicContact CE-CB 4.31Å; M27-L910 HydrophobicContact CE-CD1 3.71Å; M27-A913 HydrophobicContact CG-CB 4.35Å; M27-A913 HydrophobicContact SD-CB 4.28Å
28S85.3Confident77.6Confident34 Ų3449.6 Ų49.624%0.23828%0.278CS..Hα-helixtrans-62.8-31.7171.9-56.40000112.4F24 I25 M31 P32F24-S28 PolarHBondContact O-N 2.72Å; F24-S28 PolarHBondContact O-OG 3.15Å; F24-S28 VanDerWaalsContact O-OG 3.05Å; I25-S28 PolarHBondContact O-N 2.94Å; S28-M31 CarbonylContact O-C 3.55Å; S28-P32 WeakPolarHBondContact O-CA 3.45Å
29G86.1Confident75.9Confident0 Ų049.9 Ų49.90%028%0.28CS..Hα-helixtrans-78.3-35.417500000113.8I25 F26 M27 M31 S456I25-G29 PolarHBondContact O-N 3.45Å; F26-G29 CarbonylContact O-C 3.57Å; F26-G29 WeakPolarHBondContact O-CA 3.33Å; F26-G29 PolarHBondContact O-N 3.13Å; F26-G29 VanDerWaalsContact O-N 3.08Å; M27-G29 PolarHBondContact O-N 2.77Å; G29-M31 VanDerWaalsContact C-N 3.32Å; G29-S456 PolarHBondContact O-N 3.15Å
30L84.6Confident74.1Confident1 Ų158 Ų581%0.00532%0.317CS..Hα-helixtrans-71.8-28.2174.6-175.168.8000112F26 M27 L455 M460 C892 A906 M909F26-L30 HydrophobicContact CE1-CB 4.24Å; F26-L30 HydrophobicContact CE1-CD2 4.14Å; F26-L30 WeakPolarHBondContact O-CB 3.43Å; F26-L30 PolarHBondContact O-N 3.29Å; M27-L30 HydrophobicContact CE-CD2 4.12Å; M27-L30 PolarHBondContact O-N 3.03Å; M27-L30 HydrophobicContact SD-CD2 4.11Å; L30-L455 HydrophobicContact CD1-CD2 3.87Å; L30-L455 HydrophobicContact CG-CD2 4.47Å; L30-L455 WeakPolarHBondContact O-CD2 3.34Å; L30-M460 HydrophobicContact CD1-CE 3.93Å; L30-C892 HydrophobicContact CD1-CB 4.16Å; L30-A906 HydrophobicContact CD2-CB 4.3Å; L30-M909 HydrophobicContact CD2-CB 4.09Å; L30-M909 HydrophobicContact CD2-CG 3.9Å
31M76.7Confident72.4Confident15 Ų1562.3 Ų62.37%0.07433%0.331CS..SBendtrans-132.369.2-178.8-56.4178.5-53.800109.2M27 S28 G29 N33 F116 V117 L120 L910M27-M31 HydrophobicContact CB-CE 4.04Å; M27-M31 HydrophobicContact CE-CE 3.37Å; M27-M31 HydrophobicContact CE-SD 3.88Å; M27-M31 WeakPolarHBondContact O-CB 3.25Å; M27-M31 PolarHBondContact O-N 3Å; S28-M31 CarbonylContact O-C 3.55Å; G29-M31 VanDerWaalsContact C-N 3.32Å; M31-N33 PolarHBondContact O-N 3.39Å; M31-F116 HydrophobicContact CG-CD1 4.14Å; M31-F116 HydrophobicContact SD-CD1 3.57Å; M31-F116 VanDerWaalsContact SD-CD1 3.57Å; M31-F116 HydrophobicContact SD-CE1 3.93Å; M31-V117 HydrophobicContact CB-CB 4.15Å; M31-V117 HydrophobicContact CB-CG2 4.24Å; M31-L120 HydrophobicContact CE-CD1 3.47Å; M31-L120 VanDerWaalsContact CE-CD1 3.47Å; M31-L120 HydrophobicContact SD-CD1 3.9Å; M31-L910 HydrophobicContact CE-CD1 4.29Å; M31-L910 HydrophobicContact SD-CD1 4.43Å
32P65.7Low70.7Confident17 Ų1758.7 Ų58.711%0.1132%0.317CS..PPolyproline II helixtrans-72.5131.7-174.828.1-31.6000111.8S28 D34 K115 H454S28-P32 WeakPolarHBondContact O-CA 3.45Å; P32-D34 PolarHBondContact O-N 3.49Å; P32-K115 PolarHBondContact O-NZ 3.22Å; P32-H454 WeakPolarHBondContact CG-O 3.5Å
33N61.5Low68.6Low110 Ų11061.3 Ų61.359%0.58834%0.343SS*.PPolyproline II helixtrans-63.9132.4164.7-68.4-2.7000108.6M31 P35M31-N33 PolarHBondContact O-N 3.39Å; N33-P35 WeakPolarHBondContact O-CD 3.34Å
34D52.2Low66.5Low79 Ų7970.8 Ų70.842%0.42238%0.38SS..PPolyproline II helixtrans-80.8127.4172.2-115.6-24.8000108.6P32 R112 K115P32-D34 PolarHBondContact O-N 3.49Å; D34-R112 IonicContact OD2-CZ 3.28Å; D34-R112 IonicContact OD2-NH1 3.71Å; D34-R112 PolarHBondContact OD2-NH1 3.08Å; D34-R112 IonicContact OD2-NH2 3.72Å; D34-R112 PolarHBondContact OD2-NH2 3.36Å; D34-K115 VanDerWaalsContact N-NZ 3.17Å; D34-K115 IonicContact OD1-NZ 3.39Å; D34-K115 VanDerWaalsContact OD2-CE 3.31Å; D34-K115 WeakPolarHBondContact OD2-CE 3.03Å; D34-K115 IonicContact OD2-NZ 3.2Å; D34-K115 PolarHBondContact OD2-NZ 2.98Å; D34-K115 VanDerWaalsContact OD2-NZ 3.09Å
35P44.3Very low64.8Low96 Ų9665.9 Ų65.962%0.62336%0.362SS*.PPolyproline II helixtrans-64.8139.7151.227.4-27.6000108.1N33 T37N33-P35 WeakPolarHBondContact O-CD 3.34Å; P35-T37 VanDerWaalsContact C-N 3.29Å; P35-T37 PolarHBondContact O-N 3.48Å
36A42.9Very low63.3Low61 Ų6170.4 Ų70.450%0.50438%0.382SS..  trans-59.791169.900000109.4N38A36-N38 PolarHBondContact O-N 3.4Å
37T46.1Very low61.9Low88 Ų8874.8 Ų74.854%0.5440%0.403SS..  trans-56.1117.9159.846.90000108.3P35 V39 R326P35-T37 VanDerWaalsContact C-N 3.29Å; P35-T37 PolarHBondContact O-N 3.48Å; T37-V39 PolarHBondContact O-N 3.33Å; T37-R326 PolarHBondContact O-NH2 3.21Å; T37-R326 PolarHBondContact OG1-NH2 2.91Å
38N49Very low61.1Low164 Ų16475.8 Ų75.888%0.87741%0.41SS*.  trans-63.896.1171.9-73.3-25.2000108.4A36A36-N38 PolarHBondContact O-N 3.4Å
39V55.6Low60.8Low43 Ų4375.8 Ų75.826%0.26141%0.405SS..PPolyproline II helixtrans-89.9127.2162.7174.30000106T37 V325T37-V39 PolarHBondContact O-N 3.33Å; V39-V325 HydrophobicContact CB-CG1 3.29Å; V39-V325 HydrophobicContact CG1-CG1 3.47Å; V39-V325 VanDerWaalsContact CG1-CG1 3.47Å; V39-V325 HydrophobicContact CG2-CG1 4.37Å; V39-V325 WeakPolarHBondContact O-CG1 3.26Å
40E56.3Low60.6Low170 Ų17080.7 Ų80.779%0.79443%0.426SS*.PPolyproline II helixtrans-64.8137.8-178.3-69.5-177.8168.300111.6R359E40-R359 PolarHBondContact O-NH1 3.32Å
41K58.9Low60.9Low131 Ų13180.7 Ų80.757%0.5743%0.426SS*.PPolyproline II helixtrans-58.4144174.2-69.6-174.8177.2-173.90110.2G43 V325 R359K41-G43 PolarHBondContact O-N 3.3Å; K41-V325 HydrophobicContact CG-CG2 3.99Å; K41-R359 PolarHBondContact O-NH1 3.04Å; K41-R359 VanDerWaalsContact O-NH1 3.08Å
42I58.2Low61.6Low40 Ų4083 Ų8321%0.20544%0.438CS..PPolyproline II helixtrans-65131.8165.1-56174000106.3V45 H356 R359I42-V45 HydrophobicContact CG2-CG2 3.98Å; I42-H356 HydrophobicContact CD1-CB 3.86Å; I42-R359 VanDerWaalsContact CA-NH1 3.28Å
43G52.2Low62.9Low54 Ų5482.4 Ų82.456%0.55743%0.434SS*.  trans-63.3-174.3170.700000111.2K41 V45K41-G43 PolarHBondContact O-N 3.3Å; G43-V45 PolarHBondContact O-N 3.45Å
44Y50Low64.3Low203 Ų20377.2 Ų77.280%0.79641%0.407SS*.  trans-40.1112.2-179.3-172.9-99.1000112.2
45V58.2Low66.4Low35 Ų3573.5 Ų73.521%0.21239%0.387CS..  trans-83.4124.1171-179.90000105.9I42 G43 E47 T352I42-V45 HydrophobicContact CG2-CG2 3.98Å; G43-V45 PolarHBondContact O-N 3.45Å; V45-E47 PolarHBondContact O-N 3.14Å; V45-T352 HydrophobicContact CG1-CG2 4.07Å; V45-T352 HydrophobicContact CG2-CG2 4.26Å
46E61.2Low69Low118 Ų11868.9 Ų68.955%0.55136%0.357SS*.  trans-60.3114.7173.2-162.4-176178.400108.4T48 K348E46-T48 PolarHBondContact O-N 3.01Å; E46-K348 IonicContact OE1-NZ 3.33Å; E46-K348 PolarHBondContact OE1-NZ 3.43Å; E46-K348 IonicContact OE2-NZ 3.31Å; E46-K348 PolarHBondContact OE2-NZ 3.06Å
47E65.8Low71.6Confident95 Ų9566 Ų6644%0.44433%0.333SS..  trans-63.1107.1-178.8-69.2179.6-164.400109.4V45 K50V45-E47 PolarHBondContact O-N 3.14Å; E47-K50 IonicContact OE2-NZ 3.93Å
48T71.6Confident74.1Confident38 Ų3861.9 Ų61.923%0.23331%0.307CS..SBendtrans-92-22.4175.949.40000112.4E46 W340 K348 V349E46-T48 PolarHBondContact O-N 3.01Å; T48-W340 PolarHBondContact OG1-NE1 2.93Å; T48-K348 HydrophobicContact CG2-CB 3.96Å; T48-K348 HydrophobicContact CG2-CD 3.84Å; T48-V349 HydrophobicContact CG2-CG2 4.42Å; T48-V349 WeakPolarHBondContact OG1-CG2 3.48Å
49Y79.5Confident76.4Confident34 Ų3454.1 Ų54.113%0.13327%0.266CS..  trans-150146.4177.8-168.3-93.1000109.5I51 I318 F339Y49-I51 HydrophobicContact CD1-CG1 4.18Å; Y49-I51 HydrophobicContact CE1-CD1 4.26Å; Y49-I51 HydrophobicContact CE1-CG1 3.61Å; Y49-I318 HydrophobicContact CD1-CB 4.2Å; Y49-I318 HydrophobicContact CD1-CG2 4.38Å; Y49-F339 HydrophobicContact CD1-CD1 4.18Å; Y49-F339 WeakPolarHBondContact CD2-O 3.37Å; Y49-F339 AromaticContact CE1-CD1 3.73Å; Y49-F339 HydrophobicContact CE1-CD1 3.73Å; Y49-F339 HydrophobicContact CE1-CE1 4.37Å; Y49-F339 WeakPolarHBondContact CE2-O 3.47Å
50K82.5Confident78.3Confident102 Ų10252.2 Ų52.244%0.44326%0.255SS..  trans-140.8125.1-179.2-171.9173.3-172157.80112E47 N247 I318E47-K50 IonicContact OE2-NZ 3.93Å; K50-N247 WeakPolarHBondContact O-CB 3.25Å; K50-N247 PolarHBondContact O-ND2 3.16Å; K50-I318 WeakPolarHBondContact CA-O 3.34Å
51I90.7Very high80.1Confident1 Ų144.1 Ų44.11%0.00522%0.217CC..  trans-95.2138.8168.4-67-172000109.5Y49 K53 F54 W142 N247 L249 I318 F339Y49-I51 HydrophobicContact CD1-CG1 4.18Å; Y49-I51 HydrophobicContact CE1-CD1 4.26Å; Y49-I51 HydrophobicContact CE1-CG1 3.61Å; I51-K53 WeakPolarHBondContact CG2-O 3.47Å; I51-F54 HydrophobicContact CG2-CB 4.5Å; I51-W142 WeakPolarHBondContact O-CH2 3.46Å; I51-N247 WeakPolarHBondContact CG2-O 3.46Å; I51-L249 HydrophobicContact CD1-CB 3.5Å; I51-L249 HydrophobicContact CD1-CD2 3.95Å; I51-L249 HydrophobicContact CD1-CG 4.36Å; I51-I318 HydrophobicContact CD1-CB 3.94Å; I51-I318 HydrophobicContact CD1-CD1 3.52Å; I51-I318 HydrophobicContact CD1-CG1 3.74Å; I51-I318 HydrophobicContact CG1-CB 4.23Å; I51-I318 HydrophobicContact CG1-CG1 4.39Å; I51-I318 PolarHBondContact N-O 3.28Å; I51-F339 HydrophobicContact CD1-CE1 4.28Å
52D90.6Very high81.9Confident63 Ų6337.9 Ų37.934%0.33719%0.19SC..SBendtrans-97.2-29.9175.7-52.7-61.7000112.5K246 N247D52-K246 HydrophobicContact CB-CB 4Å; D52-K246 HydrophobicContact CB-CD 4.28Å; D52-K246 HydrophobicContact CB-CG 4.42Å; D52-N247 PolarHBondContact N-O 3.04Å; D52-N247 PolarHBondContact OD2-N 2.93Å
53K92.7Very high83.6Confident6 Ų636.9 Ų36.93%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-136.2133.8180-61.2-66179.4-170.10112.1I51 W195 D196 K246 N247 W248 L249I51-K53 WeakPolarHBondContact CG2-O 3.47Å; K53-W195 HydrophobicContact CB-CZ3 4.49Å; K53-W195 HydrophobicContact CD-CZ3 4.38Å; K53-W195 WeakPolarHBondContact CD-O 3.37Å; K53-W195 WeakPolarHBondContact CE-O 3.47Å; K53-W195 PolarHBondContact NZ-O 3.38Å; K53-D196 CarbonylContact C-O 3.53Å; K53-D196 WeakPolarHBondContact CA-O 3.09Å; K53-D196 IonicContact NZ-OD1 3.47Å; K53-D196 PolarHBondContact NZ-OD1 3.14Å; K53-K246 HydrophobicContact CG-CD 4.27Å; K53-N247 PolarHBondContact N-O 3.42Å; K53-N247 VanDerWaalsContact N-O 3.12Å; K53-W248 HydrophobicContact CB-CB 3.94Å; K53-W248 WeakPolarHBondContact O-CA 3.48Å; K53-W248 WeakPolarHBondContact O-CB 3.47Å; K53-L249 PolarHBondContact O-N 3.33Å; K53-L249 VanDerWaalsContact O-N 3.11Å
54F92.8Very high85.7Confident1 Ų134.3 Ų34.30%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-129.8131.3-177.6172.4-130000110.9I51 M56 W133 W142 D196 C197 L198 I251 I315I51-F54 HydrophobicContact CG2-CB 4.5Å; F54-M56 HydrophobicContact CE1-CB 4.2Å; F54-M56 HydrophobicContact CE2-CB 4.22Å; F54-M56 HydrophobicContact CZ-CB 3.68Å; F54-M56 HydrophobicContact CZ-CE 4.16Å; F54-M56 HydrophobicContact CZ-CG 4.48Å; F54-M56 HydrophobicContact CZ-SD 4.43Å; F54-W133 HydrophobicContact CE1-CH2 4.1Å; F54-W133 HydrophobicContact CE1-CZ3 4.12Å; F54-W142 HydrophobicContact CB-CZ3 4.2Å; F54-D196 PolarHBondContact N-O 2.85Å; F54-C197 HydrophobicContact CD1-CB 4.4Å; F54-C197 WeakPolarHBondContact CD1-SG 3.38Å; F54-C197 CarbonylContact O-C 3.36Å; F54-C197 VanDerWaalsContact O-CA 3.29Å; F54-C197 WeakPolarHBondContact O-CA 3.5Å; F54-L198 PolarHBondContact O-N 3Å; F54-I251 HydrophobicContact CE2-CB 4.42Å; F54-I251 HydrophobicContact CE2-CD1 3.6Å; F54-I251 HydrophobicContact CE2-CG1 3.86Å; F54-I251 HydrophobicContact CZ-CD1 4.11Å; F54-I315 HydrophobicContact CE1-CD1 4.22Å; F54-I315 HydrophobicContact CE1-CG2 4.38Å; F54-I315 HydrophobicContact CZ-CD1 3.73Å; F54-I315 HydrophobicContact CZ-CG1 4.07Å
55V95.7Very high87.8Confident0 Ų025.7 Ų25.70%013%0.125CC..EExtended strand (participates in β ladder)trans-125.5124.9173.8-175.20000109.6V57 W195 L198 I233 L237 L249 F250 I251V55-V57 HydrophobicContact CG1-CG2 4.39Å; V55-W195 HydrophobicContact CG2-CH2 3.69Å; V55-W195 HydrophobicContact CG2-CZ3 3.77Å; V55-L198 CarbonylContact C-O 3.43Å; V55-L198 WeakPolarHBondContact CA-O 3.21Å; V55-L198 HydrophobicContact CG1-CB 4.33Å; V55-L198 HydrophobicContact CG1-CD2 4.26Å; V55-L198 HydrophobicContact CG1-CG 4.39Å; V55-L198 HydrophobicContact CG2-CB 4.25Å; V55-I233 HydrophobicContact CG1-CG2 3.95Å; V55-L237 HydrophobicContact CG2-CD1 4.12Å; V55-L237 HydrophobicContact CG2-CD2 4.07Å; V55-L249 PolarHBondContact N-O 2.97Å; V55-F250 HydrophobicContact CB-CD2 4.11Å; V55-F250 HydrophobicContact CG1-CD2 4.01Å; V55-F250 HydrophobicContact CG1-CE2 4.25Å; V55-F250 CarbonylContact O-C 3.45Å; V55-F250 WeakPolarHBondContact O-CA 3.42Å; V55-I251 PolarHBondContact O-N 3.44Å
56M97.4Very high89.6Confident0 Ų024.1 Ų24.10%012%0.115CC..EExtended strand (participates in β ladder)trans-118.8120.3174.5179.2174.1-101.100109.8F54 V58 I108 W133 L198 I199 L200 I251 L311 I315F54-M56 HydrophobicContact CE1-CB 4.2Å; F54-M56 HydrophobicContact CE2-CB 4.22Å; F54-M56 HydrophobicContact CZ-CB 3.68Å; F54-M56 HydrophobicContact CZ-CE 4.16Å; F54-M56 HydrophobicContact CZ-CG 4.48Å; F54-M56 HydrophobicContact CZ-SD 4.43Å; M56-V58 HydrophobicContact CG-CG2 3.96Å; M56-V58 HydrophobicContact SD-CG2 4.17Å; M56-I108 HydrophobicContact CE-CG2 3.93Å; M56-I108 HydrophobicContact SD-CG2 4.22Å; M56-W133 HydrophobicContact SD-CH2 4.33Å; M56-W133 HydrophobicContact SD-CZ2 4.02Å; M56-L198 PolarHBondContact N-O 2.99Å; M56-I199 CarbonylContact O-C 3.55Å; M56-I199 WeakPolarHBondContact O-CA 3.2Å; M56-L200 PolarHBondContact O-N 2.88Å; M56-I251 WeakPolarHBondContact CA-O 3.45Å; M56-I251 HydrophobicContact CE-CD1 4.41Å; M56-I251 HydrophobicContact CE-CG2 4.21Å; M56-L311 HydrophobicContact CE-CD1 4.27Å; M56-I315 HydrophobicContact CE-CD1 3.78Å
57V98.1Very high91.1Very high1 Ų118.5 Ų18.51%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-107.7114.1171-1770000107.8V55 V59 L200 Y202 I233 F250 I251 L252 T253V55-V57 HydrophobicContact CG1-CG2 4.39Å; V57-V59 HydrophobicContact CG1-CG2 4.1Å; V57-L200 WeakPolarHBondContact CA-O 3.32Å; V57-L200 HydrophobicContact CG2-CB 4.4Å; V57-L200 HydrophobicContact CG2-CD1 4.25Å; V57-Y202 HydrophobicContact CG1-CD2 3.91Å; V57-Y202 HydrophobicContact CG1-CE2 4.01Å; V57-I233 HydrophobicContact CG2-CD1 3.93Å; V57-F250 HydrophobicContact CB-CE2 4.43Å; V57-F250 HydrophobicContact CB-CZ 4.31Å; V57-F250 HydrophobicContact CG2-CE2 3.58Å; V57-F250 HydrophobicContact CG2-CZ 3.88Å; V57-I251 PolarHBondContact N-O 2.98Å; V57-L252 HydrophobicContact CB-CD1 4.08Å; V57-L252 HydrophobicContact CG1-CD1 3.92Å; V57-L252 WeakPolarHBondContact O-CA 3.42Å; V57-T253 PolarHBondContact O-N 3.25Å
58V98.2Very high92.5Very high0 Ų014 Ų140%07%0.067CC..EExtended strand (participates in β ladder)trans-98.8127.7169.8-172.20000107.3M56 W152 L200 H201 Y202 T253 D255M56-V58 HydrophobicContact CG-CG2 3.96Å; M56-V58 HydrophobicContact SD-CG2 4.17Å; V58-W152 HydrophobicContact CG2-CZ2 4.37Å; V58-L200 PolarHBondContact N-O 2.8Å; V58-H201 HydrophobicContact CB-CB 4.38Å; V58-H201 VanDerWaalsContact CG1-CD2 3.47Å; V58-H201 WeakPolarHBondContact CG1-CD2 3.27Å; V58-H201 WeakPolarHBondContact CG1-NE2 3.01Å; V58-H201 CarbonylContact O-C 3.55Å; V58-H201 VanDerWaalsContact O-CA 3.32Å; V58-H201 WeakPolarHBondContact O-CA 3.32Å; V58-H201 PolarHBondContact O-CD2 2.9Å; V58-Y202 PolarHBondContact O-N 2.79Å; V58-T253 VanDerWaalsContact CA-O 3.31Å; V58-T253 WeakPolarHBondContact CA-O 3.33Å; V58-T253 HydrophobicContact CG2-CG2 4.21Å; V58-D255 HydrophobicContact CG1-CB 3.84Å
59V97.6Very high93.4Very high2 Ų213.4 Ų13.41%0.0127%0.065CC..EExtended strand (participates in β ladder)trans-114.9117.8171.4-179.10000107.2V57 L62 L205 M226 L252 T253 G254V57-V59 HydrophobicContact CG1-CG2 4.1Å; V59-L62 HydrophobicContact CB-CB 3.95Å; V59-L62 HydrophobicContact CB-CD2 4.12Å; V59-L62 HydrophobicContact CB-CG 4.44Å; V59-L62 HydrophobicContact CG1-CB 4.25Å; V59-L62 HydrophobicContact CG2-CD2 4.47Å; V59-L62 WeakPolarHBondContact O-CB 3.39Å; V59-L62 PolarHBondContact O-N 3.31Å; V59-L205 HydrophobicContact CG1-CB 3.84Å; V59-L205 HydrophobicContact CG1-CD2 3.64Å; V59-L205 HydrophobicContact CG1-CG 4.4Å; V59-M226 HydrophobicContact CG2-SD 4.49Å; V59-L252 HydrophobicContact CG2-CD1 3.85Å; V59-T253 PolarHBondContact N-O 3.17Å; V59-G254 WeakPolarHBondContact O-CA 3.46Å
60D95Very high93.9Very high3 Ų314.4 Ų14.42%0.0168%0.076CC..THydrogen-bonded Turntrans-58.2137.6-178.4-156.9-33.4000110.3L62 T101 Y202 L203 D206 D255 H256D60-L62 PolarHBondContact O-N 2.69Å; D60-T101 PolarHBondContact OD2-OG1 3.08Å; D60-Y202 VanDerWaalsContact CB-O 3.24Å; D60-Y202 WeakPolarHBondContact CB-O 3.35Å; D60-Y202 PolarHBondContact N-O 2.84Å; D60-L203 HydrophobicContact CB-CD2 4.19Å; D60-L203 WeakPolarHBondContact OD2-CD2 3.36Å; D60-D206 HydrophobicContact CB-CB 3.8Å; D60-D206 WeakPolarHBondContact OD1-CB 3.2Å; D60-D255 VanDerWaalsContact CA-OD1 3.32Å; D60-D255 WeakPolarHBondContact CA-OD1 3.45Å; D60-H256 IonicContact OD1-CD2 3.67Å; D60-H256 IonicContact OD1-CE1 2.84Å; D60-H256 PolarHBondContact OD1-CE1 3.3Å; D60-H256 IonicContact OD1-ND1 2.77Å; D60-H256 IonicContact OD1-NE2 3.85Å; D60-H256 PolarHBondContact OD1-NE2 2.96Å
61A94.3Very high94.3Very high0 Ų015 Ų150%08%0.078CC..THydrogen-bonded Turntrans57.521.6-175.300000116.8R63 D206 D255 H256 I258A61-R63 PolarHBondContact O-N 3Å; A61-D206 HydrophobicContact CB-CB 3.55Å; A61-D206 VanDerWaalsContact CB-OD1 3.27Å; A61-D206 WeakPolarHBondContact CB-OD1 3.29Å; A61-D255 PolarHBondContact N-OD1 2.02Å; A61-H256 CarbonylContact C-O 3.59Å; A61-H256 WeakPolarHBondContact CA-O 3.27Å; A61-H256 PolarHBondContact N-O 3.36Å; A61-I258 HydrophobicContact CB-CB 4.14Å; A61-I258 HydrophobicContact CB-CG2 4.49Å
62L96.8Very high94.3Very high0 Ų015.5 Ų15.50%08%0.08CC..  trans-70.686.7178.9-173.870.3000112.8V59 D60 F66 L67 W76 L205 L252 H256 T274 G275V59-L62 HydrophobicContact CB-CB 3.95Å; V59-L62 HydrophobicContact CB-CD2 4.12Å; V59-L62 HydrophobicContact CB-CG 4.44Å; V59-L62 HydrophobicContact CG1-CB 4.25Å; V59-L62 HydrophobicContact CG2-CD2 4.47Å; V59-L62 WeakPolarHBondContact O-CB 3.39Å; V59-L62 PolarHBondContact O-N 3.31Å; D60-L62 PolarHBondContact O-N 2.69Å; L62-F66 HydrophobicContact CD1-CB 4.07Å; L62-L67 HydrophobicContact CD1-CD2 4.06Å; L62-L67 HydrophobicContact CD1-CG 4.17Å; L62-L67 HydrophobicContact CD2-CD1 3.97Å; L62-L67 HydrophobicContact CD2-CD2 4.14Å; L62-L67 HydrophobicContact CD2-CG 4.09Å; L62-L67 HydrophobicContact CG-CD1 4.5Å; L62-L67 HydrophobicContact CG-CD2 4.47Å; L62-L67 HydrophobicContact CG-CG 4.22Å; L62-W76 HydrophobicContact CD1-CZ2 4.38Å; L62-L205 HydrophobicContact CB-CD2 4.26Å; L62-L205 HydrophobicContact CD1-CD2 3.8Å; L62-L252 HydrophobicContact CD2-CD1 3.99Å; L62-L252 HydrophobicContact CD2-CG 4.06Å; L62-H256 PolarHBondContact N-O 3.24Å; L62-T274 VanDerWaalsContact O-CA 3.28Å; L62-T274 WeakPolarHBondContact O-CA 3.39Å; L62-T274 WeakPolarHBondContact O-CB 3.29Å; L62-G275 PolarHBondContact O-N 3.11Å
63R95.1Very high94.3Very high18 Ų1812.6 Ų12.67%0.0687%0.065CC..BIsolated β-bridgetrans-60.4151.5173.1-62.8166.751.7145.3-12.3112.2A61 D65 F66 I258 D260 T273A61-R63 PolarHBondContact O-N 3Å; R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 WeakPolarHBondContact CB-OD1 3.18Å; R63-D65 IonicContact CZ-OD1 3.01Å; R63-D65 IonicContact CZ-OD2 2.71Å; R63-D65 IonicContact NE-OD1 3.6Å; R63-D65 PolarHBondContact NE-OD1 3.16Å; R63-D65 IonicContact NE-OD2 2.67Å; R63-D65 PolarHBondContact NE-OD2 3.19Å; R63-D65 IonicContact NH2-OD1 3.37Å; R63-D65 IonicContact NH2-OD2 3.17Å; R63-D65 PolarHBondContact NH2-OD2 3.27Å; R63-D65 PolarHBondContact O-N 3.49Å; R63-F66 HydrophobicContact CB-CD2 3.89Å; R63-F66 HydrophobicContact CB-CE2 4.22Å; R63-F66 HydrophobicContact CB-CG 4.11Å; R63-F66 HydrophobicContact CG-CD2 4.23Å; R63-F66 HydrophobicContact CG-CE2 4.07Å; R63-F66 HydrophobicContact CG-CZ 4.47Å; R63-F66 WeakPolarHBondContact O-CB 3.05Å; R63-F66 PolarHBondContact O-N 2.83Å; R63-F66 VanDerWaalsContact O-N 3.13Å; R63-I258 WeakPolarHBondContact CD-O 3.48Å; R63-I258 HydrophobicContact CG-CG2 4.24Å; R63-I258 PolarHBondContact NH1-O 3.49Å; R63-D260 IonicContact CZ-OD1 2.87Å; R63-D260 IonicContact NH1-OD1 3.71Å; R63-D260 PolarHBondContact NH1-OD1 2.81Å; R63-D260 IonicContact NH2-OD1 3.54Å; R63-D260 PolarHBondContact NH2-OD1 3.24Å; R63-T273 WeakPolarHBondContact CA-O 3.48Å
64A95.4Very high94.2Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-59.7-35.6176.300000113.2F66 L67 F68 A92 T273 L300A64-F66 VanDerWaalsContact C-N 3.35Å; A64-L67 PolarHBondContact O-N 3.01Å; A64-F68 HydrophobicContact CB-CD2 4.37Å; A64-F68 WeakPolarHBondContact O-CB 3.39Å; A64-F68 WeakPolarHBondContact O-CD2 3.34Å; A64-F68 PolarHBondContact O-N 2.92Å; A64-A92 HydrophobicContact CB-CB 4.21Å; A64-T273 PolarHBondContact N-O 2.79Å; A64-L300 HydrophobicContact CB-CD1 4.31Å
65D94.2Very high94.3Very high23 Ų2318.2 Ų18.212%0.1239%0.092CC..Hα-helixtrans-70.2-27.8176.655.1-18.5000113.6R63 L67 S69 L300R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 WeakPolarHBondContact CB-OD1 3.18Å; R63-D65 IonicContact CZ-OD1 3.01Å; R63-D65 IonicContact CZ-OD2 2.71Å; R63-D65 IonicContact NE-OD1 3.6Å; R63-D65 PolarHBondContact NE-OD1 3.16Å; R63-D65 IonicContact NE-OD2 2.67Å; R63-D65 PolarHBondContact NE-OD2 3.19Å; R63-D65 IonicContact NH2-OD1 3.37Å; R63-D65 IonicContact NH2-OD2 3.17Å; R63-D65 PolarHBondContact NH2-OD2 3.27Å; R63-D65 PolarHBondContact O-N 3.49Å; D65-L67 PolarHBondContact O-N 3.41Å; D65-S69 WeakPolarHBondContact O-CB 3.36Å; D65-S69 PolarHBondContact O-N 2.9Å; D65-L300 HydrophobicContact CB-CD1 3.84Å; D65-L300 HydrophobicContact CB-CD2 4.45Å
66F95.3Very high94.2Very high1 Ų118.3 Ų18.30%0.0049%0.092CC..Hα-helixtrans-62.2-31.1174.5-67.5-22000112.6L62 R63 A64 Y72 W76 L205 P214 I219 I223L62-F66 HydrophobicContact CD1-CB 4.07Å; R63-F66 HydrophobicContact CB-CD2 3.89Å; R63-F66 HydrophobicContact CB-CE2 4.22Å; R63-F66 HydrophobicContact CB-CG 4.11Å; R63-F66 HydrophobicContact CG-CD2 4.23Å; R63-F66 HydrophobicContact CG-CE2 4.07Å; R63-F66 HydrophobicContact CG-CZ 4.47Å; R63-F66 WeakPolarHBondContact O-CB 3.05Å; R63-F66 PolarHBondContact O-N 2.83Å; R63-F66 VanDerWaalsContact O-N 3.13Å; A64-F66 VanDerWaalsContact C-N 3.35Å; F66-Y72 HydrophobicContact CD1-CD1 4.05Å; F66-Y72 AromaticContact CD1-CD2 3.93Å; F66-Y72 HydrophobicContact CD1-CD2 3.93Å; F66-Y72 HydrophobicContact CD1-CE1 4.13Å; F66-Y72 HydrophobicContact CD1-CE2 4.03Å; F66-Y72 AromaticContact CD1-CG 3.94Å; F66-Y72 HydrophobicContact CD1-CG 3.94Å; F66-Y72 HydrophobicContact CE1-CD1 4.41Å; F66-Y72 HydrophobicContact CE1-CE1 4.05Å; F66-Y72 HydrophobicContact CE1-CE2 4.2Å; F66-Y72 AromaticContact CE1-CZ 3.94Å; F66-Y72 WeakPolarHBondContact O-CB 3.39Å; F66-W76 PolarHBondContact O-NE1 2.98Å; F66-L205 HydrophobicContact CD2-CD2 3.89Å; F66-L205 HydrophobicContact CE2-CD1 4.31Å; F66-L205 HydrophobicContact CE2-CD2 4.18Å; F66-L205 HydrophobicContact CE2-CG 4.33Å; F66-P214 HydrophobicContact CE1-CB 3.75Å; F66-P214 HydrophobicContact CZ-CB 3.54Å; F66-I219 HydrophobicContact CD1-CG2 4.47Å; F66-I219 HydrophobicContact CE1-CG2 4.09Å; F66-I219 HydrophobicContact CZ-CD1 4.44Å; F66-I219 HydrophobicContact CZ-CG2 4.31Å; F66-I223 HydrophobicContact CB-CD1 4.37Å
67L93.8Very high94Very high0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-87.9-45.2174.1-67.5-173.4000112.8L62 A64 D65 S73 W76 L79 L252L62-L67 HydrophobicContact CD1-CD2 4.06Å; L62-L67 HydrophobicContact CD1-CG 4.17Å; L62-L67 HydrophobicContact CD2-CD1 3.97Å; L62-L67 HydrophobicContact CD2-CD2 4.14Å; L62-L67 HydrophobicContact CD2-CG 4.09Å; L62-L67 HydrophobicContact CG-CD1 4.5Å; L62-L67 HydrophobicContact CG-CD2 4.47Å; L62-L67 HydrophobicContact CG-CG 4.22Å; A64-L67 PolarHBondContact O-N 3.01Å; D65-L67 PolarHBondContact O-N 3.41Å; L67-S73 VanDerWaalsContact O-CB 3.3Å; L67-S73 WeakPolarHBondContact O-CB 3.27Å; L67-W76 HydrophobicContact CD2-CD2 4.25Å; L67-W76 HydrophobicContact CD2-CH2 4.36Å; L67-W76 HydrophobicContact CD2-CZ2 3.62Å; L67-L79 HydrophobicContact CD2-CD2 4.16Å; L67-L252 HydrophobicContact CD1-CD2 4.35Å; L67-L252 HydrophobicContact CD2-CD2 4Å
68F94Very high93.9Very high0 Ų025.3 Ų25.30%013%0.13CC..Hα-helixtrans-112.8-12.3-159.3-55.2-50.2000114.8A64 M83 C90 S91 C295 V296 T297 L300 L303A64-F68 HydrophobicContact CB-CD2 4.37Å; A64-F68 WeakPolarHBondContact O-CB 3.39Å; A64-F68 WeakPolarHBondContact O-CD2 3.34Å; A64-F68 PolarHBondContact O-N 2.92Å; F68-M83 HydrophobicContact CD1-CE 4.29Å; F68-M83 HydrophobicContact CE1-CE 3.99Å; F68-M83 HydrophobicContact CE1-SD 4.46Å; F68-C90 HydrophobicContact CD1-CB 4.28Å; F68-C90 HydrophobicContact CE1-CB 3.56Å; F68-C90 HydrophobicContact CZ-CB 3.85Å; F68-S91 WeakPolarHBondContact CE2-O 3.45Å; F68-C295 VanDerWaalsContact CB-O 3.32Å; F68-C295 WeakPolarHBondContact CB-O 3.45Å; F68-C295 HydrophobicContact CD1-CB 4.04Å; F68-C295 WeakPolarHBondContact CD1-O 3.19Å; F68-C295 HydrophobicContact CE1-CB 4.26Å; F68-V296 CarbonylContact O-C 3.44Å; F68-V296 VanDerWaalsContact O-CA 3.23Å; F68-V296 WeakPolarHBondContact O-CA 3.32Å; F68-T297 PolarHBondContact O-N 2.95Å; F68-L300 HydrophobicContact CB-CD2 4.13Å; F68-L303 HydrophobicContact CB-CD1 3.77Å; F68-L303 HydrophobicContact CD2-CD1 3.46Å; F68-L303 VanDerWaalsContact CD2-CD1 3.46Å; F68-L303 HydrophobicContact CE2-CD1 4.27Å; F68-L303 HydrophobicContact CG-CD1 3.79Å
69S92.3Very high93.7Very high26 Ų2625.4 Ų25.418%0.18213%0.13CC..SBendtrans-77.6140175175.80000110.5D65 K71 Y72 S73D65-S69 WeakPolarHBondContact O-CB 3.36Å; D65-S69 PolarHBondContact O-N 2.9Å; S69-K71 PolarHBondContact O-N 3.36Å; S69-K71 VanDerWaalsContact O-N 3.08Å; S69-K71 PolarHBondContact OG-N 3.49Å; S69-Y72 PolarHBondContact O-N 3.29Å; S69-Y72 VanDerWaalsContact O-N 3.12Å; S69-S73 WeakPolarHBondContact O-CB 3.48Å; S69-S73 PolarHBondContact O-N 3.08Å; S69-S73 PolarHBondContact O-OG 3.3Å
70P89.7Confident93.3Very high56 Ų5629.3 Ų29.336%0.36414%0.144SC..Hα-helixtrans-49.2-37.3173.6-29.134.8000113.7Y72 S73 V296 T297 T298P70-Y72 VanDerWaalsContact C-N 3.32Å; P70-Y72 PolarHBondContact O-N 3.31Å; P70-S73 VanDerWaalsContact CA-OG 3.3Å; P70-S73 WeakPolarHBondContact CA-OG 3.44Å; P70-S73 PolarHBondContact O-OG 3.03Å; P70-V296 HydrophobicContact CB-CG1 4.38Å; P70-V296 HydrophobicContact CG-CG1 3.85Å; P70-T297 WeakPolarHBondContact CD-O 3.45Å; P70-T298 HydrophobicContact CG-CG2 3.81Å
71K89.2Confident93.1Very high113 Ų11332.2 Ų32.249%0.49117%0.165SC..Hα-helixtrans-59.2-37.8-178.7-178.3-176.1174.2-162.70113.6S69 S215S69-K71 PolarHBondContact O-N 3.36Å; S69-K71 VanDerWaalsContact O-N 3.08Å; S69-K71 PolarHBondContact OG-N 3.49Å; K71-S215 PolarHBondContact NZ-OG 2.73Å
72Y92.3Very high92.9Very high12 Ų1233.2 Ų33.25%0.04717%0.169CC..Hα-helixtrans-109.5-33.7-174.7-62.7-76.6000112.1F66 S69 P70 E74 N75 P214 S215 I219 I223F66-Y72 HydrophobicContact CD1-CD1 4.05Å; F66-Y72 AromaticContact CD1-CD2 3.93Å; F66-Y72 HydrophobicContact CD1-CD2 3.93Å; F66-Y72 HydrophobicContact CD1-CE1 4.13Å; F66-Y72 HydrophobicContact CD1-CE2 4.03Å; F66-Y72 AromaticContact CD1-CG 3.94Å; F66-Y72 HydrophobicContact CD1-CG 3.94Å; F66-Y72 HydrophobicContact CE1-CD1 4.41Å; F66-Y72 HydrophobicContact CE1-CE1 4.05Å; F66-Y72 HydrophobicContact CE1-CE2 4.2Å; F66-Y72 AromaticContact CE1-CZ 3.94Å; F66-Y72 WeakPolarHBondContact O-CB 3.39Å; S69-Y72 PolarHBondContact O-N 3.29Å; S69-Y72 VanDerWaalsContact O-N 3.12Å; P70-Y72 VanDerWaalsContact C-N 3.32Å; P70-Y72 PolarHBondContact O-N 3.31Å; Y72-E74 PolarHBondContact O-N 3.46Å; Y72-E74 VanDerWaalsContact O-N 3.12Å; Y72-N75 WeakPolarHBondContact O-CB 3.37Å; Y72-N75 PolarHBondContact O-N 2.99Å; Y72-N75 PolarHBondContact O-ND2 3.28Å; Y72-P214 WeakPolarHBondContact CE1-O 3.45Å; Y72-P214 VanDerWaalsContact CZ-O 3.31Å; Y72-P214 PolarHBondContact OH-O 3.02Å; Y72-S215 PolarHBondContact OH-OG 3.41Å; Y72-I219 HydrophobicContact CD1-CG2 4.14Å; Y72-I219 HydrophobicContact CE1-CG2 3.95Å; Y72-I223 HydrophobicContact CD1-CD1 4.02Å; Y72-I223 HydrophobicContact CG-CD1 4.43Å
73S90.2Very high92.5Very high2 Ų233.3 Ų33.31%0.01417%0.169CC..Hα-helixtrans-57.2-23.8176.164.40000113.6L67 S69 P70 N75 W76 R80L67-S73 VanDerWaalsContact O-CB 3.3Å; L67-S73 WeakPolarHBondContact O-CB 3.27Å; S69-S73 WeakPolarHBondContact O-CB 3.48Å; S69-S73 PolarHBondContact O-N 3.08Å; S69-S73 PolarHBondContact O-OG 3.3Å; P70-S73 VanDerWaalsContact CA-OG 3.3Å; P70-S73 WeakPolarHBondContact CA-OG 3.44Å; P70-S73 PolarHBondContact O-OG 3.03Å; S73-N75 PolarHBondContact O-N 3.38Å; S73-W76 PolarHBondContact O-N 3.06Å; S73-R80 WeakPolarHBondContact O-CD 3.39Å; S73-R80 VanDerWaalsContact O-CZ 3.28Å; S73-R80 PolarHBondContact O-NE 2.78Å
74E91.2Very high92Very high114 Ų11437.9 Ų37.953%0.53320%0.195SC..THydrogen-bonded Turntrans-58.5-26.917267.5176.6-168.100113.6Y72 V77 R80Y72-E74 PolarHBondContact O-N 3.46Å; Y72-E74 VanDerWaalsContact O-N 3.12Å; E74-V77 WeakPolarHBondContact O-CG2 3.46Å; E74-R80 PolarHBondContact O-NH2 3.42Å
75N94.3Very high91.5Very high12 Ų1241.1 Ų41.16%0.06421%0.212CC..THydrogen-bonded Turntrans-85.7-12.6178.7-61.3-71.2000113Y72 S73 V77 I223 R224Y72-N75 WeakPolarHBondContact O-CB 3.37Å; Y72-N75 PolarHBondContact O-N 2.99Å; Y72-N75 PolarHBondContact O-ND2 3.28Å; S73-N75 PolarHBondContact O-N 3.38Å; N75-V77 VanDerWaalsContact C-N 3.34Å; N75-V77 PolarHBondContact O-N 3.13Å; N75-I223 HydrophobicContact CB-CB 4.09Å; N75-I223 HydrophobicContact CB-CG2 3.47Å; N75-I223 VanDerWaalsContact CB-CG2 3.47Å; N75-R224 HydrophobicContact CB-CG 4.02Å; N75-R224 WeakPolarHBondContact O-CG 3.42Å; N75-R224 PolarHBondContact OD1-NH1 2.66Å
76W94.3Very high90.7Very high2 Ų244.7 Ų44.71%0.00823%0.228CC..  trans-91.961.7172-71.3108.1000109.9L62 F66 L67 S73 L79 R80 I223 M226 D227 I230L62-W76 HydrophobicContact CD1-CZ2 4.38Å; F66-W76 PolarHBondContact O-NE1 2.98Å; L67-W76 HydrophobicContact CD2-CD2 4.25Å; L67-W76 HydrophobicContact CD2-CH2 4.36Å; L67-W76 HydrophobicContact CD2-CZ2 3.62Å; S73-W76 PolarHBondContact O-N 3.06Å; W76-L79 HydrophobicContact CB-CB 4.21Å; W76-L79 HydrophobicContact CD2-CB 4.45Å; W76-L79 HydrophobicContact CD2-CD2 3.87Å; W76-L79 HydrophobicContact CE3-CB 3.79Å; W76-L79 HydrophobicContact CE3-CD2 3.51Å; W76-L79 HydrophobicContact CE3-CG 4.3Å; W76-L79 HydrophobicContact CG-CD2 4.39Å; W76-L79 HydrophobicContact CZ3-CD2 3.91Å; W76-R80 VanDerWaalsContact O-CB 3.29Å; W76-R80 WeakPolarHBondContact O-CB 3.3Å; W76-R80 WeakPolarHBondContact O-CG 3.32Å; W76-R80 PolarHBondContact O-N 3.47Å; W76-R80 VanDerWaalsContact O-N 3.17Å; W76-R80 PolarHBondContact O-NE 2.86Å; W76-R80 VanDerWaalsContact O-NE 3.13Å; W76-I223 HydrophobicContact CD2-CG2 3.73Å; W76-I223 VanDerWaalsContact CE2-CG2 3.42Å; W76-I223 HydrophobicContact CG-CG2 3.83Å; W76-I223 HydrophobicContact CZ2-CG2 3.98Å; W76-I223 VanDerWaalsContact NE1-CG2 3.27Å; W76-M226 HydrophobicContact CH2-CB 3.49Å; W76-M226 VanDerWaalsContact CH2-CB 3.49Å; W76-M226 HydrophobicContact CZ2-CB 4.37Å; W76-M226 HydrophobicContact CZ3-CB 4.01Å; W76-D227 HydrophobicContact CD2-CB 4.5Å; W76-D227 HydrophobicContact CE3-CB 3.6Å; W76-D227 VanDerWaalsContact CZ3-CA 3.45Å; W76-D227 HydrophobicContact CZ3-CB 3.93Å; W76-D227 VanDerWaalsContact CZ3-N 3.31Å; W76-I230 HydrophobicContact CH2-CD1 3.61Å; W76-I230 HydrophobicContact CZ3-CD1 3.4Å; W76-I230 VanDerWaalsContact CZ3-CD1 3.4Å
77V92.9Very high90.2Very high90 Ų9045.5 Ų45.555%0.54523%0.234SC..Hα-helixtrans-64.8-45.6-173-179.30000110.8E74 N75 D227E74-V77 WeakPolarHBondContact O-CG2 3.46Å; N75-V77 VanDerWaalsContact C-N 3.34Å; N75-V77 PolarHBondContact O-N 3.13Å; V77-D227 PolarHBondContact N-OD2 3.25Å
78K94.7Very high90Very high58 Ų5845.6 Ų45.625%0.25224%0.235SC..Hα-helixtrans-80-44.9-176.3-58.5-174.9-179.2-178.50111.2R80 S81 Y82 D227 E228 H231K78-R80 PolarHBondContact O-N 2.98Å; K78-S81 WeakPolarHBondContact O-CB 3.47Å; K78-S81 PolarHBondContact O-N 3.38Å; K78-S81 PolarHBondContact O-OG 2.97Å; K78-Y82 WeakPolarHBondContact O-CD2 3.23Å; K78-D227 PolarHBondContact N-OD1 2.9Å; K78-D227 PolarHBondContact N-OD2 3.04Å; K78-E228 WeakPolarHBondContact CE-OE1 3.46Å; K78-E228 IonicContact NZ-OE1 3.29Å; K78-E228 PolarHBondContact NZ-OE1 3.07Å; K78-E228 IonicContact NZ-OE2 3.42Å; K78-E228 PolarHBondContact NZ-OE2 3.03Å; K78-H231 HydrophobicContact CB-CB 3.97Å; K78-H231 HydrophobicContact CD-CB 3.56Å; K78-H231 HydrophobicContact CG-CB 4.43Å
79L94.1Very high89.8Confident1 Ų146.3 Ų46.31%0.00524%0.239CC..Hα-helixtrans-58.4-37178.2-176.163.5000112.2L67 W76 S81 Y82 M83 D227 I230 L252 F277L67-L79 HydrophobicContact CD2-CD2 4.16Å; W76-L79 HydrophobicContact CB-CB 4.21Å; W76-L79 HydrophobicContact CD2-CB 4.45Å; W76-L79 HydrophobicContact CD2-CD2 3.87Å; W76-L79 HydrophobicContact CE3-CB 3.79Å; W76-L79 HydrophobicContact CE3-CD2 3.51Å; W76-L79 HydrophobicContact CE3-CG 4.3Å; W76-L79 HydrophobicContact CG-CD2 4.39Å; W76-L79 HydrophobicContact CZ3-CD2 3.91Å; L79-S81 PolarHBondContact O-N 3.49Å; L79-Y82 WeakPolarHBondContact O-CB 3.31Å; L79-Y82 PolarHBondContact O-N 3.27Å; L79-M83 HydrophobicContact CD2-CE 3.58Å; L79-M83 HydrophobicContact CG-CE 3.72Å; L79-M83 HydrophobicContact CG-CG 4.44Å; L79-M83 WeakPolarHBondContact O-CG 3.32Å; L79-M83 PolarHBondContact O-N 3.21Å; L79-D227 VanDerWaalsContact CB-OD1 3.29Å; L79-D227 WeakPolarHBondContact CB-OD1 3.41Å; L79-D227 PolarHBondContact N-OD1 3.37Å; L79-I230 HydrophobicContact CD1-CG2 3.91Å; L79-L252 HydrophobicContact CD2-CD2 3.76Å; L79-F277 HydrophobicContact CD1-CD1 3.88Å; L79-F277 HydrophobicContact CD1-CE1 3.58Å; L79-F277 HydrophobicContact CD1-CE2 4.47Å; L79-F277 HydrophobicContact CD1-CG 4.43Å; L79-F277 HydrophobicContact CD1-CZ 3.9Å
80R91Very high89.8Confident84 Ų8445.7 Ų45.732%0.31724%0.235SC..Hα-helixtrans-57.6-34.4174.7-83.4-174.3-63.1179.3-1.7113.5S73 E74 W76 K78 Y82 M83 N84S73-R80 WeakPolarHBondContact O-CD 3.39Å; S73-R80 VanDerWaalsContact O-CZ 3.28Å; S73-R80 PolarHBondContact O-NE 2.78Å; E74-R80 PolarHBondContact O-NH2 3.42Å; W76-R80 VanDerWaalsContact O-CB 3.29Å; W76-R80 WeakPolarHBondContact O-CB 3.3Å; W76-R80 WeakPolarHBondContact O-CG 3.32Å; W76-R80 PolarHBondContact O-N 3.47Å; W76-R80 VanDerWaalsContact O-N 3.17Å; W76-R80 PolarHBondContact O-NE 2.86Å; W76-R80 VanDerWaalsContact O-NE 3.13Å; K78-R80 PolarHBondContact O-N 2.98Å; R80-Y82 VanDerWaalsContact C-N 3.25Å; R80-Y82 PolarHBondContact O-N 3.44Å; R80-M83 HydrophobicContact CG-SD 4.42Å; R80-M83 PolarHBondContact O-N 3.38Å; R80-N84 PolarHBondContact O-N 3.48Å; R80-N84 PolarHBondContact O-ND2 2.96Å
81S90.1Very high89.9Confident65 Ų6543.1 Ų43.146%0.45522%0.218SC..Hα-helixtrans-63.2-35176.573.80000112K78 L79K78-S81 WeakPolarHBondContact O-CB 3.47Å; K78-S81 PolarHBondContact O-N 3.38Å; K78-S81 PolarHBondContact O-OG 2.97Å; L79-S81 PolarHBondContact O-N 3.49Å
82Y90.5Very high90.2Very high21 Ų2137.8 Ų37.88%0.08220%0.195CC..Hα-helixtrans-78.2-35.1175.5-57.4-65.1000112.5K78 L79 R80 N84 L85 A88 H231 L234 M238 F279K78-Y82 WeakPolarHBondContact O-CD2 3.23Å; L79-Y82 WeakPolarHBondContact O-CB 3.31Å; L79-Y82 PolarHBondContact O-N 3.27Å; R80-Y82 VanDerWaalsContact C-N 3.25Å; R80-Y82 PolarHBondContact O-N 3.44Å; Y82-N84 PolarHBondContact O-N 3.38Å; Y82-L85 HydrophobicContact CD1-CD1 4.05Å; Y82-L85 VanDerWaalsContact O-CB 3.3Å; Y82-L85 WeakPolarHBondContact O-CB 3.44Å; Y82-L85 WeakPolarHBondContact O-CG 3.49Å; Y82-L85 PolarHBondContact O-N 3.5Å; Y82-A88 VanDerWaalsContact O-CB 3.24Å; Y82-A88 WeakPolarHBondContact O-CB 3.41Å; Y82-H231 AromaticContact CE2-ND1 3.65Å; Y82-H231 AromaticContact CZ-ND1 3.76Å; Y82-H231 PolarHBondContact OH-CE1 3.15Å; Y82-H231 PolarHBondContact OH-ND1 2.01Å; Y82-H231 VanDerWaalsContact OH-ND1 3.09Å; Y82-L234 HydrophobicContact CD1-CD1 4.36Å; Y82-L234 HydrophobicContact CD2-CD1 3.35Å; Y82-L234 HydrophobicContact CE1-CB 4.44Å; Y82-L234 HydrophobicContact CE2-CB 4.05Å; Y82-L234 HydrophobicContact CE2-CD1 3.52Å; Y82-L234 HydrophobicContact CE2-CG 4.44Å; Y82-L234 HydrophobicContact CG-CD1 3.8Å; Y82-M238 HydrophobicContact CD1-SD 4.28Å; Y82-M238 HydrophobicContact CE1-CE 4.49Å; Y82-M238 HydrophobicContact CE1-SD 3.66Å; Y82-F279 HydrophobicContact CD1-CE1 4.32Å; Y82-F279 HydrophobicContact CD1-CZ 4.35Å
83M88.3Confident90.3Very high1 Ų137.2 Ų37.21%0.00519%0.193CC..Hα-helixtrans-57.9-32.4177.2-71.9-175.7-177.500113.6F68 L79 R80 L85 F277 C295F68-M83 HydrophobicContact CD1-CE 4.29Å; F68-M83 HydrophobicContact CE1-CE 3.99Å; F68-M83 HydrophobicContact CE1-SD 4.46Å; L79-M83 HydrophobicContact CD2-CE 3.58Å; L79-M83 HydrophobicContact CG-CE 3.72Å; L79-M83 HydrophobicContact CG-CG 4.44Å; L79-M83 WeakPolarHBondContact O-CG 3.32Å; L79-M83 PolarHBondContact O-N 3.21Å; R80-M83 HydrophobicContact CG-SD 4.42Å; R80-M83 PolarHBondContact O-N 3.38Å; M83-L85 PolarHBondContact O-N 2.81Å; M83-F277 HydrophobicContact CB-CE2 4.41Å; M83-F277 HydrophobicContact CG-CD2 3.95Å; M83-F277 HydrophobicContact CG-CE2 3.75Å; M83-C295 HydrophobicContact CB-CB 4.19Å; M83-C295 HydrophobicContact CG-CB 4.34Å; M83-C295 HydrophobicContact SD-CB 3.79Å
84N84.1Confident90.5Very high114 Ų11439 Ų3961%0.6120%0.202SC*.THydrogen-bonded Turntrans-77.9-7.8179.7-65.8-20000113.3R80 Y82R80-N84 PolarHBondContact O-N 3.48Å; R80-N84 PolarHBondContact O-ND2 2.96Å; Y82-N84 PolarHBondContact O-N 3.38Å
85L85.6Confident90.5Very high69 Ų6933.6 Ų33.636%0.36118%0.177SC..SBendtrans-76.7143.5178.7-59.9175.2000110.3Y82 M83 S87 A88 F279Y82-L85 HydrophobicContact CD1-CD1 4.05Å; Y82-L85 VanDerWaalsContact O-CB 3.3Å; Y82-L85 WeakPolarHBondContact O-CB 3.44Å; Y82-L85 WeakPolarHBondContact O-CG 3.49Å; Y82-L85 PolarHBondContact O-N 3.5Å; M83-L85 PolarHBondContact O-N 2.81Å; L85-S87 PolarHBondContact O-N 2.85Å; L85-A88 WeakPolarHBondContact O-CB 3.32Å; L85-A88 PolarHBondContact O-N 3.22Å; L85-F279 HydrophobicContact CB-CE2 4.04Å; L85-F279 HydrophobicContact CD1-CE2 3.53Å; L85-F279 HydrophobicContact CD1-CZ 3.57Å; L85-F279 HydrophobicContact CG-CE2 4.42Å
86Q77.2Confident90Very high97 Ų9734 Ų3445%0.45318%0.178SC..THydrogen-bonded Turntrans-61.6-25.8174.6-69.2178.3-18.600112.4A88 K285Q86-A88 PolarHBondContact O-N 3.21Å; Q86-K285 PolarHBondContact OE1-O 3.1Å
87S84.3Confident89.3Confident18 Ų1836 Ų3613%0.12619%0.192CC..THydrogen-bonded Turntrans-79.114.4175.2-49.30000113.7L85 F279 G280 W283L85-S87 PolarHBondContact O-N 2.85Å; S87-F279 WeakPolarHBondContact O-CA 3.43Å; S87-F279 WeakPolarHBondContact O-CD2 3.41Å; S87-G280 WeakPolarHBondContact CB-O 3.41Å; S87-G280 PolarHBondContact O-N 3.35Å; S87-W283 VanDerWaalsContact C-CZ3 3.44Å; S87-W283 WeakPolarHBondContact O-CZ3 3.43Å
88A89.1Confident88.6Confident2 Ų231.9 Ų31.92%0.01717%0.167CC..EExtended strand (participates in β ladder)trans-122.3145.9179.500000112.2Y82 L85 Q86 F277 M278 F279Y82-A88 VanDerWaalsContact O-CB 3.24Å; Y82-A88 WeakPolarHBondContact O-CB 3.41Å; L85-A88 WeakPolarHBondContact O-CB 3.32Å; L85-A88 PolarHBondContact O-N 3.22Å; Q86-A88 PolarHBondContact O-N 3.21Å; A88-F277 HydrophobicContact CB-CE2 3.73Å; A88-F277 HydrophobicContact CB-CZ 4.16Å; A88-M278 CarbonylContact C-O 3.48Å; A88-M278 VanDerWaalsContact CA-O 3.28Å; A88-M278 WeakPolarHBondContact CA-O 3.45Å; A88-F279 HydrophobicContact CB-CD2 3.84Å
89T90.1Very high88.1Confident16 Ų1629.1 Ų29.110%0.09816%0.155CC..EExtended strand (participates in β ladder)trans-129.2139.2172.954.20000111F277 M278 W283 N338T89-F277 WeakPolarHBondContact O-CA 3.46Å; T89-M278 PolarHBondContact N-O 3.46Å; T89-M278 PolarHBondContact O-N 2.76Å; T89-M278 WeakPolarHBondContact OG1-CB 3.5Å; T89-W283 HydrophobicContact CG2-CH2 4.27Å; T89-W283 HydrophobicContact CG2-CZ3 3.75Å; T89-N338 WeakPolarHBondContact CG2-ND2 3.31Å
90C91.9Very high87.6Confident13 Ų1330.6 Ų30.69%0.08816%0.164CC..EExtended strand (participates in β ladder)trans-123.1127.7177.4-58.70000109.2F68 C295F68-C90 HydrophobicContact CD1-CB 4.28Å; F68-C90 HydrophobicContact CE1-CB 3.56Å; F68-C90 HydrophobicContact CZ-CB 3.85Å; C90-C295 HydrophobicContact CB-CB 3.52Å; C90-C295 WeakPolarHBondContact CB-SG 3.4Å; C90-C295 WeakPolarHBondContact SG-CB 3.23Å; C90-C295 CovalentContact SG-SG 2.02Å; C90-C295 PolarHBondContact SG-SG 2.76Å
91S93.7Very high87.5Confident2 Ų227.5 Ų27.51%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-145.4152.7179.852.10000110.5F68 L276 P304F68-S91 WeakPolarHBondContact CE2-O 3.45Å; S91-L276 PolarHBondContact N-O 3.29Å; S91-L276 PolarHBondContact O-N 3.36Å; S91-L276 PolarHBondContact OG-O 3.47Å; S91-P304 CarbonylContact C-O 3.59Å; S91-P304 WeakPolarHBondContact CA-O 3.5Å; S91-P304 VanDerWaalsContact CB-O 3.22Å; S91-P304 WeakPolarHBondContact CB-O 3Å
92A94.5Very high87.3Confident1 Ų124.8 Ų24.81%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-87.1117.9166.200000108.2A64 L303 P304 Q305 T306A64-A92 HydrophobicContact CB-CB 4.21Å; A92-L303 HydrophobicContact CB-CB 4.46Å; A92-P304 PolarHBondContact N-O 3.15Å; A92-Q305 WeakPolarHBondContact O-CA 3.4Å; A92-T306 PolarHBondContact O-N 2.93Å
93S95.1Very high87.1Confident0 Ų023.8 Ų23.80%013%0.131CC..EExtended strand (participates in β ladder)trans-88.2119.3177.1179.70000109.4T274 Q308S93-T274 WeakPolarHBondContact CB-OG1 3.3Å; S93-T274 PolarHBondContact N-O 3.43Å; S93-T274 PolarHBondContact O-N 2.59Å; S93-T274 PolarHBondContact O-OG1 2.86Å; S93-Q308 WeakPolarHBondContact OG-CA 3.44Å; S93-Q308 PolarHBondContact OG-N 3.37Å
94I94.1Very high87.2Confident39 Ų3923.8 Ų23.820%0.213%0.13CC..EExtended strand (participates in β ladder)trans-87.1127.8-178.9-57.9-55.7000109.7K272 T273 Q305 T306 Q308I94-K272 WeakPolarHBondContact CA-O 3.48Å; I94-T273 HydrophobicContact CD1-CG2 3.77Å; I94-Q305 VanDerWaalsContact CD1-OE1 3.32Å; I94-T306 WeakPolarHBondContact CB-O 3.47Å; I94-T306 PolarHBondContact N-O 3.36Å; I94-Q308 PolarHBondContact O-N 3.33Å
95V91.5Very high87.6Confident1 Ų118.3 Ų18.31%0.00610%0.101CC..  trans-113.2134.2-176.4-178.10000109.4T99 R104 K272 T274 Q308V95-T99 HydrophobicContact CG1-CG2 3.99Å; V95-R104 HydrophobicContact CG1-CG 4.26Å; V95-K272 WeakPolarHBondContact CB-O 3.47Å; V95-K272 PolarHBondContact N-O 3.48Å; V95-K272 WeakPolarHBondContact O-CB 3.44Å; V95-K272 WeakPolarHBondContact O-CG 3.39Å; V95-T274 HydrophobicContact CG2-CG2 3.83Å; V95-Q308 HydrophobicContact CG2-CB 4.11Å
96Q83.9Confident87.9Confident20 Ų2016.5 Ų16.59%0.0939%0.091CC..PPolyproline II helixtrans-83.4148.1172.8-69.869.346.900110.5R104 N113Q96-R104 PolarHBondContact O-NE 2.78Å; Q96-R104 PolarHBondContact O-NH1 3.28Å; Q96-R104 PolarHBondContact O-NH2 3.29Å; Q96-N113 WeakPolarHBondContact CB-OD1 2.95Å
97P78.4Confident88.5Confident44 Ų4411.9 Ų11.929%0.2867%0.069SC..SBendtrans-65151.6168.828.7-33.8000110.5
98P77.6Confident89.1Confident4 Ų411 Ų113%0.0266%0.063CC..PPolyproline II helixcis-75.7134.3-1.131.4-36.4000112.3V100 P103 R104 I119P98-V100 VanDerWaalsContact C-N 3.27Å; P98-V100 HydrophobicContact CB-CG2 4.27Å; P98-V100 PolarHBondContact O-N 3.28Å; P98-V100 VanDerWaalsContact O-N 3.09Å; P98-P103 HydrophobicContact CG-CB 3.97Å; P98-P103 HydrophobicContact CG-CG 3.95Å; P98-R104 PolarHBondContact O-NE 2.93Å; P98-R104 PolarHBondContact O-NH2 3.1Å; P98-I119 HydrophobicContact CB-CD1 3.47Å; P98-I119 VanDerWaalsContact CB-CD1 3.47Å; P98-I119 HydrophobicContact CB-CG1 3.64Å; P98-I119 HydrophobicContact CG-CD1 3.72Å; P98-I119 HydrophobicContact CG-CG1 3.46Å; P98-I119 VanDerWaalsContact CG-CG1 3.46Å
99T85.6Confident89.4Confident0 Ų011 Ų110%06%0.062CC..  trans-84.768.7176.244.40000109.7V95 H256 H264 G265 G266 E271 K272V95-T99 HydrophobicContact CG1-CG2 3.99Å; T99-H256 HydrophobicContact CG2-CB 4.42Å; T99-H264 PolarHBondContact O-ND1 2.9Å; T99-G265 WeakPolarHBondContact O-CA 3.48Å; T99-G265 PolarHBondContact O-N 3.36Å; T99-G265 WeakPolarHBondContact OG1-CA 3.25Å; T99-G265 PolarHBondContact OG1-N 3.06Å; T99-G266 PolarHBondContact OG1-N 2.98Å; T99-G266 PolarHBondContact OG1-O 3.34Å; T99-G266 VanDerWaalsContact OG1-O 3.07Å; T99-E271 HydrophobicContact CG2-CB 4.15Å; T99-E271 VanDerWaalsContact CG2-O 3.26Å; T99-E271 WeakPolarHBondContact CG2-O 3.35Å; T99-K272 HydrophobicContact CG2-CG 4.38Å
100V83.5Confident89.5Confident32 Ų3210.4 Ų10.419%0.1946%0.059CC..  trans-132.9143.7-179-178.90000109.1P98 L102 P103 R104 N122P98-V100 VanDerWaalsContact C-N 3.27Å; P98-V100 HydrophobicContact CB-CG2 4.27Å; P98-V100 PolarHBondContact O-N 3.28Å; P98-V100 VanDerWaalsContact O-N 3.09Å; V100-L102 PolarHBondContact O-N 3.24Å; V100-P103 HydrophobicContact CB-CG 4.36Å; V100-P103 WeakPolarHBondContact O-CD 3.44Å; V100-R104 WeakPolarHBondContact O-CG 3.01Å; V100-R104 PolarHBondContact O-N 2.93Å; V100-R104 VanDerWaalsContact O-N 3.15Å; V100-N122 WeakPolarHBondContact CG1-ND2 3.3Å
101T88.1Confident89.5Confident18 Ų189.8 Ų9.811%0.116%0.055CC..Hα-helixtrans-43.7-59.9-172.8-39.20000115.5D60 R104 I105 D149 D255 H256D60-T101 PolarHBondContact OD2-OG1 3.08Å; T101-R104 PolarHBondContact O-N 3.39Å; T101-R104 VanDerWaalsContact O-N 3.12Å; T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 WeakPolarHBondContact O-CG1 3.39Å; T101-I105 PolarHBondContact O-N 3.08Å; T101-D149 VanDerWaalsContact CG2-OD2 3.23Å; T101-D149 WeakPolarHBondContact CG2-OD2 3.35Å; T101-D255 VanDerWaalsContact CA-OD2 3.28Å; T101-D255 WeakPolarHBondContact CA-OD2 3.22Å; T101-D255 WeakPolarHBondContact CG2-OD2 3.4Å; T101-H256 PolarHBondContact N-CD2 3.4Å; T101-H256 PolarHBondContact N-NE2 3.04Å; T101-H256 PolarHBondContact OG1-NE2 2.81Å
102L86.4Confident89Confident9 Ų912 Ų125%0.0476%0.063CC..Hα-helixtrans-61.1-49.5-175.5179.8137000114.1V100 R104 I105 K106 N122 A125 T151 L155V100-L102 PolarHBondContact O-N 3.24Å; L102-R104 PolarHBondContact O-N 3.43Å; L102-I105 PolarHBondContact O-N 3.18Å; L102-K106 HydrophobicContact CD2-CD 4.18Å; L102-K106 WeakPolarHBondContact O-CG 3.38Å; L102-K106 PolarHBondContact O-N 3.1Å; L102-K106 VanDerWaalsContact O-N 3.1Å; L102-N122 WeakPolarHBondContact CB-OD1 3.36Å; L102-N122 WeakPolarHBondContact CD2-OD1 3.28Å; L102-A125 HydrophobicContact CD1-CB 3.63Å; L102-T151 HydrophobicContact CB-CG2 3.74Å; L102-T151 HydrophobicContact CD1-CG2 3.76Å; L102-T151 HydrophobicContact CG-CG2 4.06Å; L102-L155 HydrophobicContact CD1-CD1 4.34Å; L102-L155 HydrophobicContact CD1-CD2 4.03Å; L102-L155 HydrophobicContact CD1-CG 4.2Å; L102-L155 HydrophobicContact CG-CD1 4.34Å; L102-L155 HydrophobicContact CG-CD2 4.35Å
103P85.4Confident88.2Confident0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-56.3-40.3173.5-28.635000111.9P98 V100 K106 A107 P114 D118 N122P98-P103 HydrophobicContact CG-CB 3.97Å; P98-P103 HydrophobicContact CG-CG 3.95Å; V100-P103 HydrophobicContact CB-CG 4.36Å; V100-P103 WeakPolarHBondContact O-CD 3.44Å; P103-K106 WeakPolarHBondContact O-CB 2.94Å; P103-K106 PolarHBondContact O-N 3.44Å; P103-A107 PolarHBondContact O-N 3.26Å; P103-P114 HydrophobicContact CB-CB 3.6Å; P103-P114 HydrophobicContact CB-CG 4.01Å; P103-P114 WeakPolarHBondContact O-CG 3.42Å; P103-D118 HydrophobicContact CB-CB 4.47Å; P103-D118 HydrophobicContact CG-CB 4.13Å; P103-N122 WeakPolarHBondContact CD-ND2 3.39Å; P103-N122 VanDerWaalsContact CD-OD1 3.27Å; P103-N122 WeakPolarHBondContact CD-OD1 3.33Å
104R91.3Very high86.9Confident0 Ų013.8 Ų13.80%07%0.072CC..Hα-helixtrans-72.2-38.4-176.5-62-59.496.7-160.920.1113V95 Q96 P98 V100 T101 L102 K106 A107 I108 D255 H256V95-R104 HydrophobicContact CG1-CG 4.26Å; Q96-R104 PolarHBondContact O-NE 2.78Å; Q96-R104 PolarHBondContact O-NH1 3.28Å; Q96-R104 PolarHBondContact O-NH2 3.29Å; P98-R104 PolarHBondContact O-NE 2.93Å; P98-R104 PolarHBondContact O-NH2 3.1Å; V100-R104 WeakPolarHBondContact O-CG 3.01Å; V100-R104 PolarHBondContact O-N 2.93Å; V100-R104 VanDerWaalsContact O-N 3.15Å; T101-R104 PolarHBondContact O-N 3.39Å; T101-R104 VanDerWaalsContact O-N 3.12Å; L102-R104 PolarHBondContact O-N 3.43Å; R104-K106 VanDerWaalsContact C-N 3.29Å; R104-K106 PolarHBondContact O-N 3.34Å; R104-A107 WeakPolarHBondContact O-CA 3.38Å; R104-A107 WeakPolarHBondContact O-CB 3.32Å; R104-A107 PolarHBondContact O-N 2.94Å; R104-I108 WeakPolarHBondContact O-CG1 3.26Å; R104-I108 PolarHBondContact O-N 3.21Å; R104-D255 HydrophobicContact CB-CB 4.05Å; R104-D255 WeakPolarHBondContact CB-O 3.35Å; R104-D255 WeakPolarHBondContact CG-O 3.3Å; R104-H256 HydrophobicContact CG-CB 4.23Å
105I93.2Very high85.5Confident0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-57.5-46.3169.4-66.8165.1000109.7T101 L102 A107 I108 V109 T151 W152 L155 F156T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 WeakPolarHBondContact O-CG1 3.39Å; T101-I105 PolarHBondContact O-N 3.08Å; L102-I105 PolarHBondContact O-N 3.18Å; I105-A107 VanDerWaalsContact C-N 3.26Å; I105-A107 PolarHBondContact O-N 3.16Å; I105-I108 PolarHBondContact O-N 2.95Å; I105-V109 HydrophobicContact CG2-CG1 4.37Å; I105-V109 WeakPolarHBondContact O-CG1 3.31Å; I105-V109 WeakPolarHBondContact O-CG2 3.32Å; I105-V109 PolarHBondContact O-N 3.38Å; I105-T151 HydrophobicContact CD1-CG2 3.7Å; I105-W152 HydrophobicContact CB-CZ2 4.49Å; I105-W152 HydrophobicContact CD1-CG 4.35Å; I105-W152 HydrophobicContact CG1-CZ2 4.09Å; I105-W152 HydrophobicContact CG2-CD2 3.94Å; I105-W152 HydrophobicContact CG2-CE3 4.12Å; I105-W152 HydrophobicContact CG2-CH2 3.99Å; I105-W152 HydrophobicContact CG2-CZ2 3.8Å; I105-W152 HydrophobicContact CG2-CZ3 4.15Å; I105-L155 HydrophobicContact CB-CD1 4.14Å; I105-L155 HydrophobicContact CG2-CD1 3.63Å; I105-F156 HydrophobicContact CG2-CE2 4.27Å
106K90.3Very high84.1Confident31 Ų3113.3 Ų13.314%0.1357%0.069CC..Hα-helixtrans-56.9-39174.3-70.3180165174.20112.2L102 P103 R104 S110 D118 M128 L155L102-K106 HydrophobicContact CD2-CD 4.18Å; L102-K106 WeakPolarHBondContact O-CG 3.38Å; L102-K106 PolarHBondContact O-N 3.1Å; L102-K106 VanDerWaalsContact O-N 3.1Å; P103-K106 WeakPolarHBondContact O-CB 2.94Å; P103-K106 PolarHBondContact O-N 3.44Å; R104-K106 VanDerWaalsContact C-N 3.29Å; R104-K106 PolarHBondContact O-N 3.34Å; K106-S110 WeakPolarHBondContact O-CB 3.5Å; K106-S110 PolarHBondContact O-N 2.91Å; K106-S110 PolarHBondContact O-OG 3.31Å; K106-D118 IonicContact NZ-OD1 2.82Å; K106-D118 PolarHBondContact NZ-OD1 3.42Å; K106-M128 HydrophobicContact CB-CE 4.19Å; K106-M128 HydrophobicContact CD-SD 4.25Å; K106-M128 HydrophobicContact CG-CE 4.13Å; K106-M128 HydrophobicContact CG-SD 3.8Å; K106-L155 HydrophobicContact CG-CD2 4.34Å
107A91.7Very high82.9Confident0 Ų013 Ų130%07%0.068CC..Hα-helixtrans-66.3-46.4176.600000112.5P103 R104 I105 V109 G111 R112 P114 V309P103-A107 PolarHBondContact O-N 3.26Å; R104-A107 WeakPolarHBondContact O-CA 3.38Å; R104-A107 WeakPolarHBondContact O-CB 3.32Å; R104-A107 PolarHBondContact O-N 2.94Å; I105-A107 VanDerWaalsContact C-N 3.26Å; I105-A107 PolarHBondContact O-N 3.16Å; A107-V109 VanDerWaalsContact C-N 3.27Å; A107-V109 PolarHBondContact O-N 2.89Å; A107-G111 WeakPolarHBondContact O-CA 3.35Å; A107-G111 PolarHBondContact O-N 3.41Å; A107-R112 WeakPolarHBondContact CA-O 3.32Å; A107-P114 HydrophobicContact CB-CG 3.7Å; A107-V309 HydrophobicContact CB-CG1 4.31Å
108I95.8Very high82.1Confident0 Ų012 Ų120%06%0.06CC..Hα-helixtrans-62-36.4179.7-68.1166.5000111.3M56 R104 I105 W133 D255 Q308 L311 A312M56-I108 HydrophobicContact CE-CG2 3.93Å; M56-I108 HydrophobicContact SD-CG2 4.22Å; R104-I108 WeakPolarHBondContact O-CG1 3.26Å; R104-I108 PolarHBondContact O-N 3.21Å; I105-I108 PolarHBondContact O-N 2.95Å; I108-W133 PolarHBondContact O-NE1 3.14Å; I108-D255 HydrophobicContact CD1-CB 4.38Å; I108-Q308 HydrophobicContact CD1-CG 4.37Å; I108-Q308 HydrophobicContact CG1-CG 3.55Å; I108-L311 HydrophobicContact CG2-CD1 4.31Å; I108-A312 WeakPolarHBondContact O-CB 3.28Å
109V95.3Very high81.2Confident0 Ų013.3 Ų13.30%07%0.067CC..Hα-helixtrans-89.6-33.4-173.4-59.30000114.9I105 A107 M128 N132 W133 V134 W152 F156I105-V109 HydrophobicContact CG2-CG1 4.37Å; I105-V109 WeakPolarHBondContact O-CG1 3.31Å; I105-V109 WeakPolarHBondContact O-CG2 3.32Å; I105-V109 PolarHBondContact O-N 3.38Å; A107-V109 VanDerWaalsContact C-N 3.27Å; A107-V109 PolarHBondContact O-N 2.89Å; V109-M128 HydrophobicContact CG2-CE 4.03Å; V109-N132 HydrophobicContact CB-CB 4.06Å; V109-N132 HydrophobicContact CG2-CB 4.06Å; V109-N132 VanDerWaalsContact O-CA 3.32Å; V109-N132 WeakPolarHBondContact O-CA 3.22Å; V109-N132 WeakPolarHBondContact O-CB 3.47Å; V109-W133 VanDerWaalsContact CA-NE1 3.35Å; V109-W133 HydrophobicContact CG1-CZ2 3.91Å; V109-W133 PolarHBondContact O-N 3.44Å; V109-V134 HydrophobicContact CB-CG2 4.41Å; V109-V134 HydrophobicContact CG1-CG2 3.93Å; V109-W152 HydrophobicContact CG1-CH2 3.69Å; V109-W152 HydrophobicContact CG1-CZ3 3.63Å; V109-F156 HydrophobicContact CB-CZ 4.06Å; V109-F156 HydrophobicContact CG1-CE2 4.3Å; V109-F156 HydrophobicContact CG1-CZ 4.01Å; V109-F156 HydrophobicContact CG2-CE1 4.41Å; V109-F156 HydrophobicContact CG2-CZ 3.61Å
110S92.2Very high79.7Confident5 Ų517 Ų174%0.0359%0.087CC..Hα-helixtrans-101.4-22.4-178.969.30000113.2K106 R112 S327K106-S110 WeakPolarHBondContact O-CB 3.5Å; K106-S110 PolarHBondContact O-N 2.91Å; K106-S110 PolarHBondContact O-OG 3.31Å; S110-R112 PolarHBondContact O-N 2.76Å; S110-R112 WeakPolarHBondContact OG-CB 3.33Å; S110-R112 PolarHBondContact OG-N 3.26Å; S110-R112 VanDerWaalsContact OG-N 3.13Å; S110-S327 VanDerWaalsContact O-CA 3.3Å; S110-S327 WeakPolarHBondContact O-CA 3.13Å; S110-S327 WeakPolarHBondContact O-CB 3.32Å; S110-S327 PolarHBondContact O-OG 3Å
111G91.8Very high78.5Confident0 Ų018 Ų180%09%0.089CC..  trans6717.6-169.700000113.5A107 V309 A312 S327 L328A107-G111 WeakPolarHBondContact O-CA 3.35Å; A107-G111 PolarHBondContact O-N 3.41Å; G111-V309 WeakPolarHBondContact CA-O 3.29Å; G111-V309 WeakPolarHBondContact O-CB 3.45Å; G111-A312 VanDerWaalsContact CA-CB 3.45Å; G111-S327 WeakPolarHBondContact CA-OG 3.16Å; G111-L328 PolarHBondContact O-N 3.22Å
112R83.9Confident76.8Confident49 Ų4918.9 Ų18.919%0.1859%0.093CC..SBendtrans-91.1150.4172.4-165.7-161.7153.6115.59.6109.5D34 A107 S110 P114 V309D34-R112 IonicContact OD2-CZ 3.28Å; D34-R112 IonicContact OD2-NH1 3.71Å; D34-R112 PolarHBondContact OD2-NH1 3.08Å; D34-R112 IonicContact OD2-NH2 3.72Å; D34-R112 PolarHBondContact OD2-NH2 3.36Å; A107-R112 WeakPolarHBondContact CA-O 3.32Å; S110-R112 PolarHBondContact O-N 2.76Å; S110-R112 WeakPolarHBondContact OG-CB 3.33Å; S110-R112 PolarHBondContact OG-N 3.26Å; S110-R112 VanDerWaalsContact OG-N 3.13Å; R112-P114 WeakPolarHBondContact O-CD 2.98Å; R112-V309 WeakPolarHBondContact O-CG1 3.46Å
113N76.6Confident75.1Confident33 Ų3321.8 Ų21.818%0.17611%0.111CC..PPolyproline II helixtrans-66.8123.9159.7-168.623.6000109.7Q96 L449Q96-N113 WeakPolarHBondContact CB-OD1 2.95Å; N113-L449 HydrophobicContact CB-CD2 3.99Å
114P68.8Low73.5Confident4 Ų426.7 Ų26.73%0.02614%0.137CC..PPolyproline II helixtrans-62.3145.5174.2-22.435.4000111.4P103 A107 R112P103-P114 HydrophobicContact CB-CB 3.6Å; P103-P114 HydrophobicContact CB-CG 4.01Å; P103-P114 WeakPolarHBondContact O-CG 3.42Å; A107-P114 HydrophobicContact CB-CG 3.7Å; R112-P114 WeakPolarHBondContact O-CD 2.98Å
115K64Low71.6Confident16 Ų1628.2 Ų28.27%0.0715%0.15CC..PPolyproline II helixtrans-80.2153.7178.4-68.1-168.8174.3-1720111.4P32 D34 V117 D118 E453P32-K115 PolarHBondContact O-NZ 3.22Å; D34-K115 VanDerWaalsContact N-NZ 3.17Å; D34-K115 IonicContact OD1-NZ 3.39Å; D34-K115 VanDerWaalsContact OD2-CE 3.31Å; D34-K115 WeakPolarHBondContact OD2-CE 3.03Å; D34-K115 IonicContact OD2-NZ 3.2Å; D34-K115 PolarHBondContact OD2-NZ 2.98Å; D34-K115 VanDerWaalsContact OD2-NZ 3.09Å; K115-V117 HydrophobicContact CB-CG1 3.93Å; K115-V117 HydrophobicContact CD-CG1 4.31Å; K115-V117 PolarHBondContact O-N 2.92Å; K115-D118 PolarHBondContact N-OD2 2.83Å; K115-D118 VanDerWaalsContact O-CB 3.24Å; K115-D118 WeakPolarHBondContact O-CB 3.4Å; K115-D118 PolarHBondContact O-N 3.35Å; K115-E453 VanDerWaalsContact CA-OE1 3.23Å; K115-E453 WeakPolarHBondContact CA-OE1 3.26Å
116F61.6Low70.3Confident15 Ų1533.3 Ų33.37%0.06617%0.173CC..THydrogen-bonded Turntrans-59.9-30.4171.7-166-96.6000112.7M31 D118 I119 F818 W902 P907 L910M31-F116 HydrophobicContact CG-CD1 4.14Å; M31-F116 HydrophobicContact SD-CD1 3.57Å; M31-F116 VanDerWaalsContact SD-CD1 3.57Å; M31-F116 HydrophobicContact SD-CE1 3.93Å; F116-D118 PolarHBondContact O-N 3.03Å; F116-I119 HydrophobicContact CD2-CD1 4.02Å; F116-I119 HydrophobicContact CE2-CD1 4.1Å; F116-I119 HydrophobicContact CG-CD1 4.39Å; F116-I119 WeakPolarHBondContact O-CG1 3.4Å; F116-I119 PolarHBondContact O-N 3.49Å; F116-F818 HydrophobicContact CE1-CE2 4.41Å; F116-F818 HydrophobicContact CE1-CZ 4.3Å; F116-F818 HydrophobicContact CE2-CD2 4.37Å; F116-F818 AromaticContact CE2-CE2 3.5Å; F116-F818 HydrophobicContact CE2-CE2 3.5Å; F116-F818 VanDerWaalsContact CE2-CE2 3.5Å; F116-F818 HydrophobicContact CE2-CZ 4.19Å; F116-F818 HydrophobicContact CZ-CD2 4.46Å; F116-F818 AromaticContact CZ-CE2 3.27Å; F116-F818 HydrophobicContact CZ-CE2 3.27Å; F116-F818 AromaticContact CZ-CZ 3.48Å; F116-F818 HydrophobicContact CZ-CZ 3.48Å; F116-F818 VanDerWaalsContact CZ-CZ 3.48Å; F116-W902 HydrophobicContact CB-CE3 4.11Å; F116-W902 HydrophobicContact CB-CZ3 3.95Å; F116-W902 HydrophobicContact CD2-CE3 4.43Å; F116-W902 HydrophobicContact CG-CE3 4.33Å; F116-W902 HydrophobicContact CG-CZ3 4.38Å; F116-P907 HydrophobicContact CE2-CG 4.13Å; F116-P907 HydrophobicContact CZ-CG 4.19Å; F116-L910 HydrophobicContact CE1-CB 4.31Å; F116-L910 HydrophobicContact CE1-CD2 3.84Å; F116-L910 HydrophobicContact CZ-CD2 4.27Å
117V60.2Low69.5Low13 Ų1335.7 Ų35.78%0.07919%0.191CC..THydrogen-bonded Turntrans-65.1-24.7174.482.30000112.7M31 K115 I119 L120 H121M31-V117 HydrophobicContact CB-CB 4.15Å; M31-V117 HydrophobicContact CB-CG2 4.24Å; K115-V117 HydrophobicContact CB-CG1 3.93Å; K115-V117 HydrophobicContact CD-CG1 4.31Å; K115-V117 PolarHBondContact O-N 2.92Å; V117-I119 PolarHBondContact O-N 3Å; V117-I119 VanDerWaalsContact O-N 3.17Å; V117-L120 HydrophobicContact CG2-CD1 4.44Å; V117-L120 WeakPolarHBondContact O-CB 3.22Å; V117-L120 PolarHBondContact O-N 2.94Å; V117-H121 PolarHBondContact O-CD2 3.48Å; V117-H121 PolarHBondContact O-N 3.09Å
118D59.8Low68.8Low22 Ų2236.9 Ų36.912%0.11820%0.197CC..Hα-helixtrans-59.2-31.4178.7-71.7-50.3000110.8P103 K106 K115 F116 L120 H121 N122P103-D118 HydrophobicContact CB-CB 4.47Å; P103-D118 HydrophobicContact CG-CB 4.13Å; K106-D118 IonicContact NZ-OD1 2.82Å; K106-D118 PolarHBondContact NZ-OD1 3.42Å; K115-D118 PolarHBondContact N-OD2 2.83Å; K115-D118 VanDerWaalsContact O-CB 3.24Å; K115-D118 WeakPolarHBondContact O-CB 3.4Å; K115-D118 PolarHBondContact O-N 3.35Å; F116-D118 PolarHBondContact O-N 3.03Å; D118-L120 VanDerWaalsContact C-N 3.3Å; D118-L120 PolarHBondContact O-N 3.29Å; D118-H121 CarbonylContact O-C 3.59Å; D118-H121 PolarHBondContact O-N 3.31Å; D118-H121 VanDerWaalsContact O-N 3.14Å; D118-N122 VanDerWaalsContact O-CG 3.31Å; D118-N122 PolarHBondContact O-N 3.31Å; D118-N122 PolarHBondContact O-OD1 3.29Å
119I59.1Low67.9Low32 Ų3242.4 Ų42.416%0.16423%0.23CC..Hα-helixtrans-58.1-42.3174-51.2172.2000111.7P98 F116 V117 H121 N122P98-I119 HydrophobicContact CB-CD1 3.47Å; P98-I119 VanDerWaalsContact CB-CD1 3.47Å; P98-I119 HydrophobicContact CB-CG1 3.64Å; P98-I119 HydrophobicContact CG-CD1 3.72Å; P98-I119 HydrophobicContact CG-CG1 3.46Å; P98-I119 VanDerWaalsContact CG-CG1 3.46Å; F116-I119 HydrophobicContact CD2-CD1 4.02Å; F116-I119 HydrophobicContact CE2-CD1 4.1Å; F116-I119 HydrophobicContact CG-CD1 4.39Å; F116-I119 WeakPolarHBondContact O-CG1 3.4Å; F116-I119 PolarHBondContact O-N 3.49Å; V117-I119 PolarHBondContact O-N 3Å; V117-I119 VanDerWaalsContact O-N 3.17Å; I119-H121 VanDerWaalsContact C-N 3.33Å; I119-N122 VanDerWaalsContact O-CB 3.29Å; I119-N122 WeakPolarHBondContact O-CB 3.5Å; I119-N122 PolarHBondContact O-N 2.93Å
120L55.5Low67.1Low79 Ų7944.7 Ų44.741%0.41424%0.242SC..Hα-helixtrans-70.2-35.3179.5-71.9162.5000110.8M31 V117 D118 L910M31-L120 HydrophobicContact CE-CD1 3.47Å; M31-L120 VanDerWaalsContact CE-CD1 3.47Å; M31-L120 HydrophobicContact SD-CD1 3.9Å; V117-L120 HydrophobicContact CG2-CD1 4.44Å; V117-L120 WeakPolarHBondContact O-CB 3.22Å; V117-L120 PolarHBondContact O-N 2.94Å; D118-L120 VanDerWaalsContact C-N 3.3Å; D118-L120 PolarHBondContact O-N 3.29Å; L120-L910 HydrophobicContact CD1-CD1 4.35Å
121H56.9Low66.8Low51 Ų5146.3 Ų46.324%0.23625%0.251CS..Hα-helixtrans-75.9-17.5173.1-69.5-80.9000113.2V117 D118 I119 V123 N124 E126V117-H121 PolarHBondContact O-CD2 3.48Å; V117-H121 PolarHBondContact O-N 3.09Å; D118-H121 CarbonylContact O-C 3.59Å; D118-H121 PolarHBondContact O-N 3.31Å; D118-H121 VanDerWaalsContact O-N 3.14Å; I119-H121 VanDerWaalsContact C-N 3.33Å; H121-V123 PolarHBondContact O-N 2.94Å; H121-V123 VanDerWaalsContact O-N 3.08Å; H121-N124 CarbonylContact O-C 3.48Å; H121-N124 PolarHBondContact O-N 2.91Å; H121-E126 IonicContact CE1-OE1 3.03Å; H121-E126 IonicContact ND1-OE1 2.6Å; H121-E126 PolarHBondContact ND1-OE1 3.04Å; H121-E126 VanDerWaalsContact ND1-OE1 3.08Å; H121-E126 IonicContact ND1-OE2 3.01Å
122N53.1Low66.8Low37 Ų3746.4 Ų46.420%0.19825%0.251CS..G310 helixtrans-55.5-29.6172.8-69.1-4.1000112.4V100 L102 P103 D118 I119 N124V100-N122 WeakPolarHBondContact CG1-ND2 3.3Å; L102-N122 WeakPolarHBondContact CB-OD1 3.36Å; L102-N122 WeakPolarHBondContact CD2-OD1 3.28Å; P103-N122 WeakPolarHBondContact CD-ND2 3.39Å; P103-N122 VanDerWaalsContact CD-OD1 3.27Å; P103-N122 WeakPolarHBondContact CD-OD1 3.33Å; D118-N122 VanDerWaalsContact O-CG 3.31Å; D118-N122 PolarHBondContact O-N 3.31Å; D118-N122 PolarHBondContact O-OD1 3.29Å; I119-N122 VanDerWaalsContact O-CB 3.29Å; I119-N122 WeakPolarHBondContact O-CB 3.5Å; I119-N122 PolarHBondContact O-N 2.93Å; N122-N124 PolarHBondContact O-N 2.98Å
123V51.1Low67.4Low70 Ų7044.1 Ų44.142%0.42424%0.242SC..G310 helixtrans-66.8-23.5-179.6-179.90000111.7H121 H833 P835H121-V123 PolarHBondContact O-N 2.94Å; H121-V123 VanDerWaalsContact O-N 3.08Å; V123-H833 PolarHBondContact O-NE2 3.46Å; V123-P835 HydrophobicContact CG1-CB 3.69Å; V123-P835 WeakPolarHBondContact O-CG 3.33Å
124N50.3Low68.3Low104 Ų10442.5 Ų42.556%0.55623%0.234SC*.G310 helixtrans-132.685.8169-93.7-8.4000107.2H121 N122 E126 P835H121-N124 CarbonylContact O-C 3.48Å; H121-N124 PolarHBondContact O-N 2.91Å; N122-N124 PolarHBondContact O-N 2.98Å; N124-E126 PolarHBondContact O-N 3.14Å; N124-P835 WeakPolarHBondContact OD1-CG 3.46Å
125A52.8Low69.4Low32 Ų3244.2 Ų44.226%0.26425%0.245SC..  trans-52.998178.900000111.1L102 K154L102-A125 HydrophobicContact CD1-CB 3.63Å; A125-K154 HydrophobicContact CB-CB 3.89Å; A125-K154 HydrophobicContact CB-CD 3.77Å; A125-K154 HydrophobicContact CB-CG 4.45Å
126E64.6Low70.8Confident106 Ų10644.2 Ų44.250%0.49524%0.244SC..PPolyproline II helixtrans-81151.1178.1-77.7172.4-15000109.6H121 N124H121-E126 IonicContact CE1-OE1 3.03Å; H121-E126 IonicContact ND1-OE1 2.6Å; H121-E126 PolarHBondContact ND1-OE1 3.04Å; H121-E126 VanDerWaalsContact ND1-OE1 3.08Å; H121-E126 IonicContact ND1-OE2 3.01Å; N124-E126 PolarHBondContact O-N 3.14Å
127T73.7Confident72.4Confident82 Ų8243.5 Ų43.550%0.50324%0.241SC..PPolyproline II helixtrans-56.7139.7176.153.50000111V129 P157T127-V129 PolarHBondContact O-N 3.04Å; T127-P157 HydrophobicContact CG2-CG 3.69Å
128M78.5Confident74Confident24 Ų2445.1 Ų45.112%0.11825%0.25CS..PPolyproline II helixtrans-63.2117.9178.3-172.361.7166.700110.5K106 V109 D130 L155 F156K106-M128 HydrophobicContact CB-CE 4.19Å; K106-M128 HydrophobicContact CD-SD 4.25Å; K106-M128 HydrophobicContact CG-CE 4.13Å; K106-M128 HydrophobicContact CG-SD 3.8Å; V109-M128 HydrophobicContact CG2-CE 4.03Å; M128-D130 HydrophobicContact CE-CB 3.81Å; M128-L155 HydrophobicContact CB-CB 4.44Å; M128-L155 HydrophobicContact CB-CD2 4.36Å; M128-L155 WeakPolarHBondContact CB-O 3.41Å; M128-L155 PolarHBondContact N-O 3.23Å; M128-F156 HydrophobicContact CB-CD1 4.22Å; M128-F156 HydrophobicContact CB-CE1 3.78Å; M128-F156 HydrophobicContact CB-CZ 4.36Å; M128-F156 HydrophobicContact CG-CE1 3.86Å; M128-F156 HydrophobicContact CG-CZ 4.32Å
129V75.6Confident75.5Confident117 Ų11749.1 Ų49.171%0.70927%0.272SS*.  trans-90.8-33.6178.8-178.40000111.6T127T127-V129 PolarHBondContact O-N 3.04Å
130D78Confident77Confident47 Ų4752.4 Ų52.425%0.25129%0.287SS..SBendtrans-72.9145.9-179.1-74.7-55.1000111.7M128 N132 R326M128-D130 HydrophobicContact CE-CB 3.81Å; D130-N132 PolarHBondContact O-ND2 3.07Å; D130-R326 IonicContact OD1-CZ 3.42Å; D130-R326 IonicContact OD1-NH1 2.63Å; D130-R326 PolarHBondContact OD1-NH1 3.42Å
131D87.1Confident78.8Confident40 Ų4056.8 Ų56.821%0.21431%0.305CS..  trans-62.5137.3173.1175.467.6000111.4R136 P324 V325D131-R136 VanDerWaalsContact CG-NE 3.33Å; D131-R136 IonicContact OD1-CZ 3Å; D131-R136 IonicContact OD1-NE 3.81Å; D131-R136 PolarHBondContact OD1-NE 3.04Å; D131-R136 IonicContact OD1-NH2 2.69Å; D131-R136 IonicContact OD2-CZ 3.44Å; D131-R136 IonicContact OD2-NE 3.77Å; D131-R136 PolarHBondContact OD2-NE 2.95Å; D131-R136 IonicContact OD2-NH2 2.79Å; D131-R136 PolarHBondContact OD2-NH2 3.24Å; D131-P324 WeakPolarHBondContact OD2-CA 3.41Å; D131-V325 HydrophobicContact CB-CB 4.34Å; D131-V325 HydrophobicContact CB-CG2 4.39Å; D131-V325 WeakPolarHBondContact OD2-CG2 3.21Å; D131-V325 PolarHBondContact OD2-N 3.05Å
132N92.5Very high80.6Confident2 Ų255.7 Ų55.71%0.01130%0.299CS..  trans-153.4163.6-168.663.882.7000110.7V109 D130 V134 T135 R136 F156V109-N132 HydrophobicContact CB-CB 4.06Å; V109-N132 HydrophobicContact CG2-CB 4.06Å; V109-N132 VanDerWaalsContact O-CA 3.32Å; V109-N132 WeakPolarHBondContact O-CA 3.22Å; V109-N132 WeakPolarHBondContact O-CB 3.47Å; D130-N132 PolarHBondContact O-ND2 3.07Å; N132-V134 VanDerWaalsContact C-N 3.33Å; N132-V134 PolarHBondContact O-N 3.06Å; N132-V134 WeakPolarHBondContact OD1-CA 3.13Å; N132-V134 WeakPolarHBondContact OD1-CB 3.28Å; N132-V134 PolarHBondContact OD1-N 2.99Å; N132-T135 PolarHBondContact ND2-OG1 3.11Å; N132-T135 PolarHBondContact O-OG1 3.35Å; N132-T135 PolarHBondContact OD1-N 3.39Å; N132-T135 PolarHBondContact OD1-OG1 2.9Å; N132-R136 VanDerWaalsContact O-CG 3.29Å; N132-R136 WeakPolarHBondContact O-CG 3.44Å; N132-R136 PolarHBondContact O-N 3.1Å; N132-F156 WeakPolarHBondContact OD1-CE1 3.4Å
133W94.9Very high82.6Confident0 Ų057 Ų570%031%0.305CS..Hα-helixtrans-70.6-26.3-177.762-105.8000113.4F54 M56 I108 V109 R136 L137 W152 I199 I315 P324F54-W133 HydrophobicContact CE1-CH2 4.1Å; F54-W133 HydrophobicContact CE1-CZ3 4.12Å; M56-W133 HydrophobicContact SD-CH2 4.33Å; M56-W133 HydrophobicContact SD-CZ2 4.02Å; I108-W133 PolarHBondContact O-NE1 3.14Å; V109-W133 VanDerWaalsContact CA-NE1 3.35Å; V109-W133 HydrophobicContact CG1-CZ2 3.91Å; V109-W133 PolarHBondContact O-N 3.44Å; W133-R136 PolarHBondContact O-N 2.83Å; W133-L137 HydrophobicContact CE3-CD1 3.62Å; W133-L137 HydrophobicContact CE3-CG 4.35Å; W133-L137 HydrophobicContact CZ3-CD1 3.83Å; W133-L137 WeakPolarHBondContact O-CB 3.49Å; W133-L137 VanDerWaalsContact O-CG 3.29Å; W133-L137 WeakPolarHBondContact O-CG 3.46Å; W133-L137 PolarHBondContact O-N 3.41Å; W133-W152 HydrophobicContact CH2-CZ3 4.49Å; W133-W152 HydrophobicContact CZ2-CH2 4.37Å; W133-I199 HydrophobicContact CH2-CD1 3.59Å; W133-I199 HydrophobicContact CH2-CG1 4.29Å; W133-I199 HydrophobicContact CZ3-CD1 3.95Å; W133-I315 HydrophobicContact CB-CG2 4.06Å; W133-I315 HydrophobicContact CD2-CD1 4.32Å; W133-I315 HydrophobicContact CD2-CG2 3.82Å; W133-I315 HydrophobicContact CE3-CG2 4.07Å; W133-I315 HydrophobicContact CG-CB 4.29Å; W133-I315 HydrophobicContact CG-CG2 3.81Å; W133-I315 HydrophobicContact CZ2-CD1 4.08Å; W133-P324 HydrophobicContact CB-CG 4.46Å
134V95.8Very high84.8Confident0 Ų053.6 Ų53.60%029%0.285CS..Hα-helixtrans-64.2-53.4179.9-178.80000110.2V109 N132 R136 L137 V138 I144 W152 F156 F160V109-V134 HydrophobicContact CB-CG2 4.41Å; V109-V134 HydrophobicContact CG1-CG2 3.93Å; N132-V134 VanDerWaalsContact C-N 3.33Å; N132-V134 PolarHBondContact O-N 3.06Å; N132-V134 WeakPolarHBondContact OD1-CA 3.13Å; N132-V134 WeakPolarHBondContact OD1-CB 3.28Å; N132-V134 PolarHBondContact OD1-N 2.99Å; V134-R136 VanDerWaalsContact C-N 3.26Å; V134-R136 PolarHBondContact O-N 3.06Å; V134-L137 WeakPolarHBondContact O-CB 3.37Å; V134-L137 PolarHBondContact O-N 3.17Å; V134-V138 WeakPolarHBondContact O-CG2 3.2Å; V134-V138 PolarHBondContact O-N 3.26Å; V134-V138 VanDerWaalsContact O-N 3.14Å; V134-I144 HydrophobicContact CG1-CD1 4.11Å; V134-W152 HydrophobicContact CG2-CZ3 4.09Å; V134-F156 HydrophobicContact CB-CD1 4.12Å; V134-F156 HydrophobicContact CB-CE1 4.13Å; V134-F156 HydrophobicContact CB-CG 4.45Å; V134-F156 HydrophobicContact CB-CZ 4.47Å; V134-F156 HydrophobicContact CG1-CB 4.4Å; V134-F156 HydrophobicContact CG1-CD1 4.14Å; V134-F156 HydrophobicContact CG1-CG 4.09Å; V134-F156 HydrophobicContact CG2-CE1 4.32Å; V134-F156 HydrophobicContact CG2-CE2 4.28Å; V134-F156 HydrophobicContact CG2-CZ 4.16Å; V134-F160 HydrophobicContact CG1-CE1 4.14Å
135T93.1Very high86.9Confident40 Ų4049.2 Ų49.225%0.24526%0.261CS..Hα-helixtrans-64.3-34179.154.40000111.7N132 V138 D139 F156N132-T135 PolarHBondContact ND2-OG1 3.11Å; N132-T135 PolarHBondContact O-OG1 3.35Å; N132-T135 PolarHBondContact OD1-N 3.39Å; N132-T135 PolarHBondContact OD1-OG1 2.9Å; T135-V138 WeakPolarHBondContact O-CB 3.35Å; T135-V138 PolarHBondContact O-N 3.01Å; T135-D139 VanDerWaalsContact O-CG 3.31Å; T135-D139 PolarHBondContact O-N 3.22Å; T135-F156 HydrophobicContact CG2-CD1 4.39Å
136R92.5Very high89Confident16 Ų1647.7 Ų47.76%0.0625%0.249CC..Hα-helixtrans-68.7-37.1175.6-72.3-179.3173.1-1630.8113.7D131 N132 W133 V134 V138 D139 H140 V321 G322 I323 V325D131-R136 VanDerWaalsContact CG-NE 3.33Å; D131-R136 IonicContact OD1-CZ 3Å; D131-R136 IonicContact OD1-NE 3.81Å; D131-R136 PolarHBondContact OD1-NE 3.04Å; D131-R136 IonicContact OD1-NH2 2.69Å; D131-R136 IonicContact OD2-CZ 3.44Å; D131-R136 IonicContact OD2-NE 3.77Å; D131-R136 PolarHBondContact OD2-NE 2.95Å; D131-R136 IonicContact OD2-NH2 2.79Å; D131-R136 PolarHBondContact OD2-NH2 3.24Å; N132-R136 VanDerWaalsContact O-CG 3.29Å; N132-R136 WeakPolarHBondContact O-CG 3.44Å; N132-R136 PolarHBondContact O-N 3.1Å; W133-R136 PolarHBondContact O-N 2.83Å; V134-R136 VanDerWaalsContact C-N 3.26Å; V134-R136 PolarHBondContact O-N 3.06Å; R136-V138 VanDerWaalsContact C-N 3.29Å; R136-D139 PolarHBondContact O-N 3.4Å; R136-H140 PolarHBondContact O-N 3.38Å; R136-H140 PolarHBondContact O-ND1 2.78Å; R136-V321 HydrophobicContact CB-CB 4Å; R136-V321 HydrophobicContact CB-CG2 3.81Å; R136-G322 PolarHBondContact NH1-O 2.86Å; R136-I323 VanDerWaalsContact CZ-O 3.29Å; R136-I323 PolarHBondContact NH1-O 3.08Å; R136-I323 PolarHBondContact NH2-O 2.87Å; R136-I323 VanDerWaalsContact NH2-O 3.1Å; R136-V325 VanDerWaalsContact NH2-CG2 3.3Å
137L94.6Very high90.5Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-60.5-42.8171.3-75.7-179000110.5W133 V134 H140 Q141 W142 I144 C197 T319 V321W133-L137 HydrophobicContact CE3-CD1 3.62Å; W133-L137 HydrophobicContact CE3-CG 4.35Å; W133-L137 HydrophobicContact CZ3-CD1 3.83Å; W133-L137 WeakPolarHBondContact O-CB 3.49Å; W133-L137 VanDerWaalsContact O-CG 3.29Å; W133-L137 WeakPolarHBondContact O-CG 3.46Å; W133-L137 PolarHBondContact O-N 3.41Å; V134-L137 WeakPolarHBondContact O-CB 3.37Å; V134-L137 PolarHBondContact O-N 3.17Å; L137-H140 CarbonylContact O-C 3.53Å; L137-H140 PolarHBondContact O-N 3.06Å; L137-H140 VanDerWaalsContact O-N 3.17Å; L137-Q141 PolarHBondContact O-N 2.65Å; L137-W142 HydrophobicContact CB-CB 3.97Å; L137-W142 HydrophobicContact CB-CG 4.12Å; L137-W142 HydrophobicContact CD1-CE3 4.45Å; L137-W142 HydrophobicContact CD2-CB 4.45Å; L137-W142 HydrophobicContact CD2-CD2 3.45Å; L137-W142 VanDerWaalsContact CD2-CD2 3.45Å; L137-W142 HydrophobicContact CD2-CE3 3.87Å; L137-W142 HydrophobicContact CD2-CG 3.72Å; L137-W142 HydrophobicContact CD2-CH2 4.48Å; L137-W142 HydrophobicContact CD2-CZ2 4.12Å; L137-W142 HydrophobicContact CD2-CZ3 4.36Å; L137-W142 HydrophobicContact CG-CD2 4.43Å; L137-W142 HydrophobicContact CG-CG 4.43Å; L137-W142 WeakPolarHBondContact O-CB 3.37Å; L137-W142 PolarHBondContact O-N 3.31Å; L137-I144 HydrophobicContact CB-CD1 3.71Å; L137-I144 HydrophobicContact CB-CG1 4.45Å; L137-I144 HydrophobicContact CD1-CD1 4.25Å; L137-C197 HydrophobicContact CD1-CB 4.33Å; L137-T319 HydrophobicContact CD2-CG2 4.03Å; L137-V321 HydrophobicContact CD2-CG1 3.65Å; L137-V321 HydrophobicContact CD2-CG2 4.32Å
138V94Very high91.5Very high46 Ų4639.4 Ų39.428%0.27920%0.204SC..Hα-helixtrans-61.4-45.6174.7178.10000111.5V134 T135 R136 H140 Q141 I144 S159V134-V138 WeakPolarHBondContact O-CG2 3.2Å; V134-V138 PolarHBondContact O-N 3.26Å; V134-V138 VanDerWaalsContact O-N 3.14Å; T135-V138 WeakPolarHBondContact O-CB 3.35Å; T135-V138 PolarHBondContact O-N 3.01Å; R136-V138 VanDerWaalsContact C-N 3.29Å; V138-H140 PolarHBondContact O-N 2.63Å; V138-Q141 WeakPolarHBondContact O-CA 3.5Å; V138-Q141 PolarHBondContact O-N 2.85Å; V138-I144 HydrophobicContact CG2-CD1 3.68Å; V138-S159 VanDerWaalsContact CG2-O 3.29Å; V138-S159 WeakPolarHBondContact CG2-O 3.36Å
139D91.7Very high92.1Very high106 Ų10638.3 Ų38.357%0.56720%0.198SC*.Hα-helixtrans-59.5-30.4176.4-70.6-15.7000112.1T135 R136 Q141T135-D139 VanDerWaalsContact O-CG 3.31Å; T135-D139 PolarHBondContact O-N 3.22Å; R136-D139 PolarHBondContact O-N 3.4Å; D139-Q141 VanDerWaalsContact C-N 3.31Å
140H91.5Very high92.8Very high102 Ų10234.6 Ų34.647%0.47217%0.174SC..THydrogen-bonded Turntrans-92.517.6175.2-67.971.9000113.1R136 L137 V138 W142 V321R136-H140 PolarHBondContact O-N 3.38Å; R136-H140 PolarHBondContact O-ND1 2.78Å; L137-H140 CarbonylContact O-C 3.53Å; L137-H140 PolarHBondContact O-N 3.06Å; L137-H140 VanDerWaalsContact O-N 3.17Å; V138-H140 PolarHBondContact O-N 2.63Å; H140-W142 VanDerWaalsContact C-N 3.29Å; H140-W142 PolarHBondContact O-N 3.07Å; H140-V321 HydrophobicContact CB-CG1 3.9Å
141Q93.4Very high93.2Very high171 Ų17133 Ų3380%0.79917%0.167SC*.THydrogen-bonded Turntrans62.725.7174.1-52.5-174.9-42.900115.4L137 V138 D139L137-Q141 PolarHBondContact O-N 2.65Å; V138-Q141 WeakPolarHBondContact O-CA 3.5Å; V138-Q141 PolarHBondContact O-N 2.85Å; D139-Q141 VanDerWaalsContact C-N 3.31Å
142W94.5Very high93.5Very high28 Ų2831.1 Ų31.111%0.10616%0.157CC..  trans-69.8139.4171.6-75.255000110.8I51 F54 L137 H140 I144 Q161 D196 C197 T319I51-W142 WeakPolarHBondContact O-CH2 3.46Å; F54-W142 HydrophobicContact CB-CZ3 4.2Å; L137-W142 HydrophobicContact CB-CB 3.97Å; L137-W142 HydrophobicContact CB-CG 4.12Å; L137-W142 HydrophobicContact CD1-CE3 4.45Å; L137-W142 HydrophobicContact CD2-CB 4.45Å; L137-W142 HydrophobicContact CD2-CD2 3.45Å; L137-W142 VanDerWaalsContact CD2-CD2 3.45Å; L137-W142 HydrophobicContact CD2-CE3 3.87Å; L137-W142 HydrophobicContact CD2-CG 3.72Å; L137-W142 HydrophobicContact CD2-CH2 4.48Å; L137-W142 HydrophobicContact CD2-CZ2 4.12Å; L137-W142 HydrophobicContact CD2-CZ3 4.36Å; L137-W142 HydrophobicContact CG-CD2 4.43Å; L137-W142 HydrophobicContact CG-CG 4.43Å; L137-W142 WeakPolarHBondContact O-CB 3.37Å; L137-W142 PolarHBondContact O-N 3.31Å; H140-W142 VanDerWaalsContact C-N 3.29Å; H140-W142 PolarHBondContact O-N 3.07Å; W142-I144 HydrophobicContact CB-CG1 4.39Å; W142-I144 PolarHBondContact O-N 2.7Å; W142-Q161 PolarHBondContact O-NE2 2.92Å; W142-D196 HydrophobicContact CB-CB 4.41Å; W142-D196 HydrophobicContact CD2-CB 4.13Å; W142-D196 HydrophobicContact CE3-CB 3.59Å; W142-D196 HydrophobicContact CZ3-CB 4.18Å; W142-C197 HydrophobicContact CE3-CB 4.13Å; W142-T319 HydrophobicContact CH2-CG2 3.79Å; W142-T319 HydrophobicContact CZ2-CG2 4.06Å; W142-T319 HydrophobicContact CZ3-CG2 4.4Å
143N95Very high93.4Very high63 Ų6332.7 Ų32.734%0.33717%0.165SC..  trans-85.4105.9171.1-61.6-66.3000110.1D196 C197N143-D196 WeakPolarHBondContact CB-OD2 3.41Å; N143-D196 PolarHBondContact N-OD2 2.64Å; N143-D196 PolarHBondContact ND2-OD2 3.12Å; N143-D196 PolarHBondContact O-N 3.13Å; N143-C197 PolarHBondContact O-N 3.48Å
144I96Very high93.1Very high0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-102.2124.9-178.1-43.6-179.1000109.4V134 L137 V138 W142 F160 Q161 C197 I199V134-I144 HydrophobicContact CG1-CD1 4.11Å; L137-I144 HydrophobicContact CB-CD1 3.71Å; L137-I144 HydrophobicContact CB-CG1 4.45Å; L137-I144 HydrophobicContact CD1-CD1 4.25Å; V138-I144 HydrophobicContact CG2-CD1 3.68Å; W142-I144 HydrophobicContact CB-CG1 4.39Å; W142-I144 PolarHBondContact O-N 2.7Å; I144-F160 HydrophobicContact CB-CD1 4.1Å; I144-F160 HydrophobicContact CG2-CD1 3.6Å; I144-F160 HydrophobicContact CG2-CE1 3.84Å; I144-F160 WeakPolarHBondContact O-CA 3.47Å; I144-Q161 PolarHBondContact O-N 2.83Å; I144-Q161 PolarHBondContact O-OE1 3.35Å; I144-C197 WeakPolarHBondContact CA-O 3.07Å; I144-C197 HydrophobicContact CB-CB 4.36Å; I144-C197 HydrophobicContact CG1-CB 4.14Å; I144-C197 HydrophobicContact CG2-CB 4.05Å; I144-I199 HydrophobicContact CG2-CD1 4.03Å
145Q95.6Very high92.7Very high11 Ų1136.8 Ų36.85%0.05118%0.182CC..EExtended strand (participates in β ladder)trans-114.3139.9172.1-58.8-16716.900110.3Y147 V162 K194 W195 C197 L198 I199Q145-Y147 HydrophobicContact CB-CE2 4.27Å; Q145-V162 VanDerWaalsContact CA-O 3.29Å; Q145-V162 WeakPolarHBondContact CA-O 3.05Å; Q145-V162 HydrophobicContact CG-CB 4.04Å; Q145-V162 HydrophobicContact CG-CG2 4.47Å; Q145-K194 PolarHBondContact NE2-O 3.01Å; Q145-W195 HydrophobicContact CB-CB 4.46Å; Q145-W195 HydrophobicContact CG-CB 3.82Å; Q145-C197 PolarHBondContact N-O 2.89Å; Q145-L198 HydrophobicContact CB-CD1 4.26Å; Q145-I199 PolarHBondContact O-N 3.05Å
146F96Very high92.7Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-132.3132.9-174.2171.8-97.9000112.4G148 D149 W152 I153 F160 V162 Y163 E164 I199 H201F146-G148 VanDerWaalsContact CZ-C 3.48Å; F146-D149 WeakPolarHBondContact CZ-O 3.46Å; F146-W152 HydrophobicContact CD1-CB 4.28Å; F146-W152 HydrophobicContact CD2-CB 4.02Å; F146-W152 HydrophobicContact CD2-CD2 4.45Å; F146-W152 HydrophobicContact CD2-CG 4.08Å; F146-W152 HydrophobicContact CE1-CB 3.82Å; F146-W152 HydrophobicContact CE1-CG 4.49Å; F146-W152 HydrophobicContact CE2-CB 3.53Å; F146-W152 AromaticContact CE2-CD1 3.43Å; F146-W152 VanDerWaalsContact CE2-CD1 3.43Å; F146-W152 HydrophobicContact CE2-CD2 4.01Å; F146-W152 AromaticContact CE2-CG 3.37Å; F146-W152 HydrophobicContact CE2-CG 3.37Å; F146-W152 HydrophobicContact CG-CB 4.39Å; F146-W152 HydrophobicContact CZ-CB 3.43Å; F146-W152 VanDerWaalsContact CZ-CB 3.43Å; F146-W152 AromaticContact CZ-CD1 3.56Å; F146-W152 AromaticContact CZ-CG 3.63Å; F146-W152 HydrophobicContact CZ-CG 3.63Å; F146-I153 HydrophobicContact CD1-CD1 4.17Å; F146-I153 HydrophobicContact CD1-CG1 3.78Å; F146-I153 HydrophobicContact CE1-CD1 4.06Å; F146-I153 HydrophobicContact CE1-CG1 3.83Å; F146-F160 HydrophobicContact CB-CB 4.29Å; F146-F160 HydrophobicContact CB-CD1 3.64Å; F146-F160 HydrophobicContact CB-CD2 3.8Å; F146-F160 HydrophobicContact CB-CE1 3.83Å; F146-F160 HydrophobicContact CB-CE2 3.97Å; F146-F160 HydrophobicContact CB-CG 3.63Å; F146-F160 HydrophobicContact CB-CZ 3.99Å; F146-F160 HydrophobicContact CD1-CD2 4.37Å; F146-F160 HydrophobicContact CD1-CE2 4.24Å; F146-F160 HydrophobicContact CD2-CZ 4.39Å; F146-F160 HydrophobicContact CG-CD2 4.22Å; F146-F160 HydrophobicContact CG-CE1 4.4Å; F146-F160 HydrophobicContact CG-CE2 4Å; F146-F160 HydrophobicContact CG-CZ 4.1Å; F146-V162 PolarHBondContact N-O 3.4Å; F146-V162 VanDerWaalsContact N-O 3.1Å; F146-Y163 WeakPolarHBondContact O-CA 3.34Å; F146-Y163 WeakPolarHBondContact O-CB 3.48Å; F146-E164 PolarHBondContact O-N 2.83Å; F146-E164 VanDerWaalsContact O-N 3.11Å; F146-I199 WeakPolarHBondContact CA-O 3.28Å; F146-I199 HydrophobicContact CD2-CB 3.92Å; F146-I199 HydrophobicContact CD2-CG2 3.75Å; F146-I199 HydrophobicContact CE2-CG2 4.07Å; F146-H201 HydrophobicContact CE2-CB 4.17Å; F146-H201 HydrophobicContact CZ-CB 4.4Å
147Y96.2Very high92.4Very high14 Ų1437.4 Ų37.46%0.05519%0.189CC..EExtended strand (participates in β ladder)trans-139.3128.6171-57.1-88000110.7Q145 V162 E164 H184 L188 L198 I199 L200 H201Q145-Y147 HydrophobicContact CB-CE2 4.27Å; Y147-V162 VanDerWaalsContact OH-CG1 3.24Å; Y147-V162 WeakPolarHBondContact OH-CG1 3.37Å; Y147-E164 WeakPolarHBondContact CA-O 3.14Å; Y147-E164 HydrophobicContact CD1-CB 3.82Å; Y147-E164 HydrophobicContact CE1-CB 4.01Å; Y147-H184 HydrophobicContact CD1-CB 3.91Å; Y147-H184 AromaticContact CD1-CD2 3.32Å; Y147-H184 WeakPolarHBondContact CD1-CD2 3.34Å; Y147-H184 AromaticContact CD1-CG 3.45Å; Y147-H184 VanDerWaalsContact CD1-CG 3.45Å; Y147-H184 AromaticContact CD1-ND1 3.98Å; Y147-H184 AromaticContact CD1-NE2 3.84Å; Y147-H184 HydrophobicContact CD2-CB 4.27Å; Y147-H184 HydrophobicContact CE1-CB 3.8Å; Y147-H184 AromaticContact CE1-CD2 3.61Å; Y147-H184 AromaticContact CE1-CE1 3.76Å; Y147-H184 AromaticContact CE1-CG 3.3Å; Y147-H184 AromaticContact CE1-ND1 3.42Å; Y147-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y147-H184 AromaticContact CE1-NE2 3.93Å; Y147-H184 HydrophobicContact CE2-CB 4.19Å; Y147-H184 HydrophobicContact CG-CB 4.13Å; Y147-H184 AromaticContact CZ-CG 3.9Å; Y147-L188 HydrophobicContact CD2-CD1 3.82Å; Y147-L188 HydrophobicContact CE2-CD1 3.5Å; Y147-L188 VanDerWaalsContact CE2-CD1 3.5Å; Y147-L188 HydrophobicContact CE2-CD2 3.75Å; Y147-L188 HydrophobicContact CE2-CG 4.08Å; Y147-L198 HydrophobicContact CD2-CD1 4.17Å; Y147-L198 HydrophobicContact CE2-CD1 4.38Å; Y147-I199 PolarHBondContact N-O 2.94Å; Y147-L200 HydrophobicContact CD2-CD2 4.03Å; Y147-L200 HydrophobicContact CG-CD2 4.37Å; Y147-L200 CarbonylContact O-C 3.27Å; Y147-L200 VanDerWaalsContact O-CA 3.24Å; Y147-L200 WeakPolarHBondContact O-CA 3.31Å; Y147-H201 PolarHBondContact O-N 3.32Å
148G94.9Very high92.1Very high0 Ų047.1 Ų47.10%023%0.231CC..EExtended strand (participates in β ladder)trans139.6-155.1-177.300000113.4F146 D150 E164 G165 T166 V181 H201F146-G148 VanDerWaalsContact CZ-C 3.48Å; G148-D150 PolarHBondContact O-N 2.84Å; G148-E164 PolarHBondContact N-O 3.2Å; G148-G165 CarbonylContact O-C 3.57Å; G148-G165 WeakPolarHBondContact O-CA 3.38Å; G148-T166 VanDerWaalsContact C-OG1 3.29Å; G148-T166 PolarHBondContact O-N 3.34Å; G148-T166 PolarHBondContact O-OG1 2.67Å; G148-V181 VanDerWaalsContact CA-CG2 3.49Å; G148-H201 WeakPolarHBondContact CA-O 3.28Å
149D91.5Very high92.1Very high1 Ų145.5 Ų45.51%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-47.5121.1-176.4-177.13.2000114.2T101 F146 T151 W152 H201 L203T101-D149 VanDerWaalsContact CG2-OD2 3.23Å; T101-D149 WeakPolarHBondContact CG2-OD2 3.35Å; F146-D149 WeakPolarHBondContact CZ-O 3.46Å; D149-T151 PolarHBondContact O-N 3.05Å; D149-T151 PolarHBondContact OD1-N 3.47Å; D149-T151 PolarHBondContact OD1-OG1 3.12Å; D149-T151 VanDerWaalsContact OD2-CB 3.23Å; D149-T151 WeakPolarHBondContact OD2-CB 3.3Å; D149-T151 PolarHBondContact OD2-OG1 3.01Å; D149-W152 PolarHBondContact O-N 3.49Å; D149-W152 VanDerWaalsContact O-N 3.09Å; D149-H201 HydrophobicContact CB-CB 4.43Å; D149-H201 PolarHBondContact N-O 2.85Å; D149-L203 HydrophobicContact CB-CD1 4.17Å; D149-L203 HydrophobicContact CB-CD2 3.96Å; D149-L203 HydrophobicContact CB-CG 4.22Å
150D89.2Confident92.2Very high39 Ų3940.9 Ų40.921%0.20920%0.197CC..THydrogen-bonded Turntrans-46.3-24.7173.9-85.4-17.6000114.6G148 W152 I153 K154 G165 T166G148-D150 PolarHBondContact O-N 2.84Å; D150-W152 PolarHBondContact O-N 2.97Å; D150-I153 PolarHBondContact O-N 2.8Å; D150-K154 WeakPolarHBondContact O-CG 3.18Å; D150-K154 PolarHBondContact O-N 3.14Å; D150-K154 VanDerWaalsContact O-N 3.08Å; D150-G165 WeakPolarHBondContact OD1-CA 3.41Å; D150-T166 PolarHBondContact N-O 3.13Å
151T87.6Confident92.3Very high15 Ų1540.5 Ų40.59%0.09220%0.195CC..Hα-helixtrans-49.9-38.8175.3-58.10000112.3L102 I105 D149 L155L102-T151 HydrophobicContact CB-CG2 3.74Å; L102-T151 HydrophobicContact CD1-CG2 3.76Å; L102-T151 HydrophobicContact CG-CG2 4.06Å; I105-T151 HydrophobicContact CD1-CG2 3.7Å; D149-T151 PolarHBondContact O-N 3.05Å; D149-T151 PolarHBondContact OD1-N 3.47Å; D149-T151 PolarHBondContact OD1-OG1 3.12Å; D149-T151 VanDerWaalsContact OD2-CB 3.23Å; D149-T151 WeakPolarHBondContact OD2-CB 3.3Å; D149-T151 PolarHBondContact OD2-OG1 3.01Å; T151-L155 HydrophobicContact CG2-CD1 4.03Å; T151-L155 WeakPolarHBondContact O-CB 3.45Å; T151-L155 VanDerWaalsContact O-CG 3.3Å; T151-L155 WeakPolarHBondContact O-CG 3.39Å; T151-L155 PolarHBondContact O-N 3.3Å
152W93.3Very high92.2Very high0 Ų035.5 Ų35.50%018%0.176CC..Hα-helixtrans-65.7-43.4176.4-75.588000112.7V58 I105 V109 W133 V134 F146 D149 D150 K154 L155 F156 F160 I199 H201V58-W152 HydrophobicContact CG2-CZ2 4.37Å; I105-W152 HydrophobicContact CB-CZ2 4.49Å; I105-W152 HydrophobicContact CD1-CG 4.35Å; I105-W152 HydrophobicContact CG1-CZ2 4.09Å; I105-W152 HydrophobicContact CG2-CD2 3.94Å; I105-W152 HydrophobicContact CG2-CE3 4.12Å; I105-W152 HydrophobicContact CG2-CH2 3.99Å; I105-W152 HydrophobicContact CG2-CZ2 3.8Å; I105-W152 HydrophobicContact CG2-CZ3 4.15Å; V109-W152 HydrophobicContact CG1-CH2 3.69Å; V109-W152 HydrophobicContact CG1-CZ3 3.63Å; W133-W152 HydrophobicContact CH2-CZ3 4.49Å; W133-W152 HydrophobicContact CZ2-CH2 4.37Å; V134-W152 HydrophobicContact CG2-CZ3 4.09Å; F146-W152 HydrophobicContact CD1-CB 4.28Å; F146-W152 HydrophobicContact CD2-CB 4.02Å; F146-W152 HydrophobicContact CD2-CD2 4.45Å; F146-W152 HydrophobicContact CD2-CG 4.08Å; F146-W152 HydrophobicContact CE1-CB 3.82Å; F146-W152 HydrophobicContact CE1-CG 4.49Å; F146-W152 HydrophobicContact CE2-CB 3.53Å; F146-W152 AromaticContact CE2-CD1 3.43Å; F146-W152 VanDerWaalsContact CE2-CD1 3.43Å; F146-W152 HydrophobicContact CE2-CD2 4.01Å; F146-W152 AromaticContact CE2-CG 3.37Å; F146-W152 HydrophobicContact CE2-CG 3.37Å; F146-W152 HydrophobicContact CG-CB 4.39Å; F146-W152 HydrophobicContact CZ-CB 3.43Å; F146-W152 VanDerWaalsContact CZ-CB 3.43Å; F146-W152 AromaticContact CZ-CD1 3.56Å; F146-W152 AromaticContact CZ-CG 3.63Å; F146-W152 HydrophobicContact CZ-CG 3.63Å; D149-W152 PolarHBondContact O-N 3.49Å; D149-W152 VanDerWaalsContact O-N 3.09Å; D150-W152 PolarHBondContact O-N 2.97Å; W152-K154 VanDerWaalsContact C-N 3.3Å; W152-K154 PolarHBondContact O-N 2.91Å; W152-L155 PolarHBondContact O-N 3.47Å; W152-F156 AromaticContact CE3-CD2 3.83Å; W152-F156 HydrophobicContact CE3-CD2 3.83Å; W152-F156 AromaticContact CE3-CE2 3.62Å; W152-F156 HydrophobicContact CE3-CE2 3.62Å; W152-F156 HydrophobicContact CZ3-CD2 4.45Å; W152-F156 AromaticContact CZ3-CE2 3.92Å; W152-F156 HydrophobicContact CZ3-CE2 3.92Å; W152-F156 VanDerWaalsContact O-CD2 3.3Å; W152-F156 WeakPolarHBondContact O-CD2 3.33Å; W152-F156 PolarHBondContact O-N 2.9Å; W152-F160 HydrophobicContact CB-CE2 4.26Å; W152-F160 HydrophobicContact CB-CZ 4.3Å; W152-F160 HydrophobicContact CE3-CZ 4.26Å; W152-I199 HydrophobicContact CD2-CG2 4.49Å; W152-I199 HydrophobicContact CH2-CG2 4.27Å; W152-I199 HydrophobicContact CZ2-CG2 4.23Å; W152-I199 HydrophobicContact CZ3-CD1 4.14Å; W152-I199 HydrophobicContact CZ3-CG2 4.4Å; W152-H201 AromaticContact CD1-ND1 3.46Å; W152-H201 AromaticContact NE1-CE1 3.94Å; W152-H201 AromaticContact NE1-CG 3.7Å; W152-H201 AromaticContact NE1-ND1 3.04Å; W152-H201 PolarHBondContact NE1-ND1 3.09Å
153I91.2Very high92.2Very high35 Ų3539.8 Ų39.818%0.17919%0.193CC..Hα-helixtrans-64.8-38.5-178.7-61.2164.9000110.4F146 D150 F156 Y163F146-I153 HydrophobicContact CD1-CD1 4.17Å; F146-I153 HydrophobicContact CD1-CG1 3.78Å; F146-I153 HydrophobicContact CE1-CD1 4.06Å; F146-I153 HydrophobicContact CE1-CG1 3.83Å; D150-I153 PolarHBondContact O-N 2.8Å; I153-F156 CarbonylContact O-C 3.48Å; I153-Y163 HydrophobicContact CD1-CD2 3.59Å; I153-Y163 HydrophobicContact CD1-CE2 4.2Å; I153-Y163 HydrophobicContact CG1-CD2 3.84Å; I153-Y163 HydrophobicContact CG1-CE2 4.42Å; I153-Y163 HydrophobicContact CG1-CG 4.49Å; I153-Y163 HydrophobicContact CG2-CD2 4.13Å; I153-Y163 HydrophobicContact CG2-CE2 3.85Å
154K87.1Confident92.1Very high83 Ų8340.9 Ų40.936%0.36120%0.196SC..Hα-helixtrans-68.5-40.8177.2-65171.8-168157.30111.9A125 D150 W152A125-K154 HydrophobicContact CB-CB 3.89Å; A125-K154 HydrophobicContact CB-CD 3.77Å; A125-K154 HydrophobicContact CB-CG 4.45Å; D150-K154 WeakPolarHBondContact O-CG 3.18Å; D150-K154 PolarHBondContact O-N 3.14Å; D150-K154 VanDerWaalsContact O-N 3.08Å; W152-K154 VanDerWaalsContact C-N 3.3Å; W152-K154 PolarHBondContact O-N 2.91Å
155L88.3Confident91.7Very high2 Ų242 Ų421%0.0121%0.208CC..Hα-helixtrans-68.6-38.3177.1-75.3169.7000112.3L102 I105 K106 M128 T151 W152 P157L102-L155 HydrophobicContact CD1-CD1 4.34Å; L102-L155 HydrophobicContact CD1-CD2 4.03Å; L102-L155 HydrophobicContact CD1-CG 4.2Å; L102-L155 HydrophobicContact CG-CD1 4.34Å; L102-L155 HydrophobicContact CG-CD2 4.35Å; I105-L155 HydrophobicContact CB-CD1 4.14Å; I105-L155 HydrophobicContact CG2-CD1 3.63Å; K106-L155 HydrophobicContact CG-CD2 4.34Å; M128-L155 HydrophobicContact CB-CB 4.44Å; M128-L155 HydrophobicContact CB-CD2 4.36Å; M128-L155 WeakPolarHBondContact CB-O 3.41Å; M128-L155 PolarHBondContact N-O 3.23Å; T151-L155 HydrophobicContact CG2-CD1 4.03Å; T151-L155 WeakPolarHBondContact O-CB 3.45Å; T151-L155 VanDerWaalsContact O-CG 3.3Å; T151-L155 WeakPolarHBondContact O-CG 3.39Å; T151-L155 PolarHBondContact O-N 3.3Å; W152-L155 PolarHBondContact O-N 3.47Å; L155-P157 VanDerWaalsContact C-CD 3.43Å; L155-P157 VanDerWaalsContact O-CD 3.3Å; L155-P157 WeakPolarHBondContact O-CD 3.4Å
156F92.3Very high91.1Very high3 Ų341.9 Ų41.91%0.01321%0.208CC..SBendtrans-122.862.4-171.9-54.1-70.4000112.6I105 V109 M128 N132 V134 T135 W152 I153 K158 S159 F160I105-F156 HydrophobicContact CG2-CE2 4.27Å; V109-F156 HydrophobicContact CB-CZ 4.06Å; V109-F156 HydrophobicContact CG1-CE2 4.3Å; V109-F156 HydrophobicContact CG1-CZ 4.01Å; V109-F156 HydrophobicContact CG2-CE1 4.41Å; V109-F156 HydrophobicContact CG2-CZ 3.61Å; M128-F156 HydrophobicContact CB-CD1 4.22Å; M128-F156 HydrophobicContact CB-CE1 3.78Å; M128-F156 HydrophobicContact CB-CZ 4.36Å; M128-F156 HydrophobicContact CG-CE1 3.86Å; M128-F156 HydrophobicContact CG-CZ 4.32Å; N132-F156 WeakPolarHBondContact OD1-CE1 3.4Å; V134-F156 HydrophobicContact CB-CD1 4.12Å; V134-F156 HydrophobicContact CB-CE1 4.13Å; V134-F156 HydrophobicContact CB-CG 4.45Å; V134-F156 HydrophobicContact CB-CZ 4.47Å; V134-F156 HydrophobicContact CG1-CB 4.4Å; V134-F156 HydrophobicContact CG1-CD1 4.14Å; V134-F156 HydrophobicContact CG1-CG 4.09Å; V134-F156 HydrophobicContact CG2-CE1 4.32Å; V134-F156 HydrophobicContact CG2-CE2 4.28Å; V134-F156 HydrophobicContact CG2-CZ 4.16Å; T135-F156 HydrophobicContact CG2-CD1 4.39Å; W152-F156 AromaticContact CE3-CD2 3.83Å; W152-F156 HydrophobicContact CE3-CD2 3.83Å; W152-F156 AromaticContact CE3-CE2 3.62Å; W152-F156 HydrophobicContact CE3-CE2 3.62Å; W152-F156 HydrophobicContact CZ3-CD2 4.45Å; W152-F156 AromaticContact CZ3-CE2 3.92Å; W152-F156 HydrophobicContact CZ3-CE2 3.92Å; W152-F156 VanDerWaalsContact O-CD2 3.3Å; W152-F156 WeakPolarHBondContact O-CD2 3.33Å; W152-F156 PolarHBondContact O-N 2.9Å; I153-F156 CarbonylContact O-C 3.48Å; F156-K158 PolarHBondContact O-N 2.94Å; F156-S159 WeakPolarHBondContact O-CB 3.38Å; F156-S159 PolarHBondContact O-N 3.1Å; F156-S159 PolarHBondContact O-OG 3.41Å; F156-F160 HydrophobicContact CB-CE2 4.1Å; F156-F160 HydrophobicContact CB-CZ 4.09Å; F156-F160 HydrophobicContact CD2-CZ 4.2Å
157P87.1Confident90.1Very high67 Ų6744.1 Ų44.144%0.43522%0.22SC..THydrogen-bonded Turntrans-58.9137.2179.528.3-36.5000110.1T127 L155 S159T127-P157 HydrophobicContact CG2-CG 3.69Å; L155-P157 VanDerWaalsContact C-CD 3.43Å; L155-P157 VanDerWaalsContact O-CD 3.3Å; L155-P157 WeakPolarHBondContact O-CD 3.4Å; P157-S159 PolarHBondContact O-N 2.68Å; P157-S159 VanDerWaalsContact O-N 3.13Å
158K87.8Confident88.8Confident203 Ų20345 Ų4588%0.88323%0.229SC*.THydrogen-bonded Turntrans62.511.5178.5-49.2176.9-179.8177.90115.7F156F156-K158 PolarHBondContact O-N 2.94Å
159S93.3Very high87.1Confident12 Ų1246.9 Ų46.98%0.08424%0.237CC..  trans-87.5-19178.5-59.10000113.4V138 F156 P157V138-S159 VanDerWaalsContact CG2-O 3.29Å; V138-S159 WeakPolarHBondContact CG2-O 3.36Å; F156-S159 WeakPolarHBondContact O-CB 3.38Å; F156-S159 PolarHBondContact O-N 3.1Å; F156-S159 PolarHBondContact O-OG 3.41Å; P157-S159 PolarHBondContact O-N 2.68Å; P157-S159 VanDerWaalsContact O-N 3.13Å
160F94.7Very high85.5Confident10 Ų1050.2 Ų50.24%0.04425%0.25CC..  trans-105127.6179.8-50.2-57000110.5V134 I144 F146 W152 F156 Y163 I199V134-F160 HydrophobicContact CG1-CE1 4.14Å; I144-F160 HydrophobicContact CB-CD1 4.1Å; I144-F160 HydrophobicContact CG2-CD1 3.6Å; I144-F160 HydrophobicContact CG2-CE1 3.84Å; I144-F160 WeakPolarHBondContact O-CA 3.47Å; F146-F160 HydrophobicContact CB-CB 4.29Å; F146-F160 HydrophobicContact CB-CD1 3.64Å; F146-F160 HydrophobicContact CB-CD2 3.8Å; F146-F160 HydrophobicContact CB-CE1 3.83Å; F146-F160 HydrophobicContact CB-CE2 3.97Å; F146-F160 HydrophobicContact CB-CG 3.63Å; F146-F160 HydrophobicContact CB-CZ 3.99Å; F146-F160 HydrophobicContact CD1-CD2 4.37Å; F146-F160 HydrophobicContact CD1-CE2 4.24Å; F146-F160 HydrophobicContact CD2-CZ 4.39Å; F146-F160 HydrophobicContact CG-CD2 4.22Å; F146-F160 HydrophobicContact CG-CE1 4.4Å; F146-F160 HydrophobicContact CG-CE2 4Å; F146-F160 HydrophobicContact CG-CZ 4.1Å; W152-F160 HydrophobicContact CB-CE2 4.26Å; W152-F160 HydrophobicContact CB-CZ 4.3Å; W152-F160 HydrophobicContact CE3-CZ 4.26Å; F156-F160 HydrophobicContact CB-CE2 4.1Å; F156-F160 HydrophobicContact CB-CZ 4.09Å; F156-F160 HydrophobicContact CD2-CZ 4.2Å; F160-Y163 HydrophobicContact CB-CD1 3.73Å; F160-Y163 HydrophobicContact CB-CG 4.11Å; F160-Y163 WeakPolarHBondContact O-CD1 3.21Å; F160-I199 HydrophobicContact CE1-CD1 4.18Å
161Q92.6Very high83.9Confident93 Ų9349.8 Ų49.844%0.43525%0.248SC..SBendtrans-71.8-37.6178.3-74.379.6-6.400111.5W142 I144W142-Q161 PolarHBondContact O-NE2 2.92Å; I144-Q161 PolarHBondContact O-N 2.83Å; I144-Q161 PolarHBondContact O-OE1 3.35Å
162V92.5Very high82.6Confident66 Ų6651.2 Ų51.240%0.426%0.256SS..EExtended strand (participates in β ladder)trans-134.4129.6173.5-174.10000107.1Q145 F146 Y147Q145-V162 VanDerWaalsContact CA-O 3.29Å; Q145-V162 WeakPolarHBondContact CA-O 3.05Å; Q145-V162 HydrophobicContact CG-CB 4.04Å; Q145-V162 HydrophobicContact CG-CG2 4.47Å; F146-V162 PolarHBondContact N-O 3.4Å; F146-V162 VanDerWaalsContact N-O 3.1Å; Y147-V162 VanDerWaalsContact OH-CG1 3.24Å; Y147-V162 WeakPolarHBondContact OH-CG1 3.37Å
163Y93.8Very high81.5Confident119 Ų11952 Ų5247%0.46726%0.26SS..EExtended strand (participates in β ladder)trans-151.7150.6177.960-85.2000112.2F146 I153 F160F146-Y163 WeakPolarHBondContact O-CA 3.34Å; F146-Y163 WeakPolarHBondContact O-CB 3.48Å; I153-Y163 HydrophobicContact CD1-CD2 3.59Å; I153-Y163 HydrophobicContact CD1-CE2 4.2Å; I153-Y163 HydrophobicContact CG1-CD2 3.84Å; I153-Y163 HydrophobicContact CG1-CE2 4.42Å; I153-Y163 HydrophobicContact CG1-CG 4.49Å; I153-Y163 HydrophobicContact CG2-CD2 4.13Å; I153-Y163 HydrophobicContact CG2-CE2 3.85Å; F160-Y163 HydrophobicContact CB-CD1 3.73Å; F160-Y163 HydrophobicContact CB-CG 4.11Å; F160-Y163 WeakPolarHBondContact O-CD1 3.21Å
164E92.4Very high81Confident85 Ų8550.4 Ų50.440%0.39725%0.252SS..EExtended strand (participates in β ladder)trans-142.6126.3164.4-168.9172.8168.500109.8F146 Y147 G148 R183 H184F146-E164 PolarHBondContact O-N 2.83Å; F146-E164 VanDerWaalsContact O-N 3.11Å; Y147-E164 WeakPolarHBondContact CA-O 3.14Å; Y147-E164 HydrophobicContact CD1-CB 3.82Å; Y147-E164 HydrophobicContact CE1-CB 4.01Å; G148-E164 PolarHBondContact N-O 3.2Å; E164-R183 IonicContact OE1-CZ 2.82Å; E164-R183 IonicContact OE1-NH2 3.22Å; E164-R183 PolarHBondContact OE1-NH2 3.46Å; E164-R183 IonicContact OE2-CZ 3.52Å; E164-R183 IonicContact OE2-NH2 2.69Å; E164-R183 PolarHBondContact OE2-NH2 3.38Å; E164-H184 IonicContact OE2-CE1 3.69Å; E164-H184 PolarHBondContact OE2-CE1 3.41Å; E164-H184 IonicContact OE2-NE2 2.76Å; E164-H184 PolarHBondContact OE2-NE2 3.3Å
165G87.8Confident80.8Confident24 Ų2451.5 Ų51.525%0.24725%0.254CS..EExtended strand (participates in β ladder)trans-97.6152.2-175.300000113.2G148 D150G148-G165 CarbonylContact O-C 3.57Å; G148-G165 WeakPolarHBondContact O-CA 3.38Å; D150-G165 WeakPolarHBondContact OD1-CA 3.41Å
166T84.4Confident80.5Confident9 Ų956.7 Ų56.76%0.05528%0.278CS..EExtended strand (participates in β ladder)trans-118.1148.9173.761.30000109.9G148 D150 N180 V181G148-T166 VanDerWaalsContact C-OG1 3.29Å; G148-T166 PolarHBondContact O-N 3.34Å; G148-T166 PolarHBondContact O-OG1 2.67Å; D150-T166 PolarHBondContact N-O 3.13Å; T166-N180 HydrophobicContact CG2-CB 3.62Å; T166-V181 HydrophobicContact CG2-CG2 3.98Å
167N73.7Confident80.2Confident46 Ų4656.8 Ų56.825%0.24628%0.279CS..  trans-97.8122.2-170.5-163.7-9.6000111.4F169N167-F169 VanDerWaalsContact C-N 3.31Å; N167-F169 VanDerWaalsContact ND2-CD2 3.31Å; N167-F169 WeakPolarHBondContact ND2-CD2 3.38Å; N167-F169 PolarHBondContact O-N 2.78Å; N167-F169 WeakPolarHBondContact OD1-CD2 3.31Å; N167-F169 WeakPolarHBondContact OD1-CE2 3.29Å; N167-F169 WeakPolarHBondContact OD1-CG 3.35Å; N167-F169 PolarHBondContact OD1-N 2.6Å
168S68.2Low80.5Confident34 Ų3453.7 Ų53.724%0.23826%0.259CS..THydrogen-bonded Turntrans-79.1-2.1-179.8490000115Y170S168-Y170 VanDerWaalsContact C-N 3.35Å; S168-Y170 PolarHBondContact O-N 2.72Å
169F59.8Low80.6Confident38 Ų3846.3 Ų46.317%0.16724%0.236CC..THydrogen-bonded Turntrans-72.5-22.3-173.2-59.4-50.9000115.1N167 V171 Y827 H833N167-F169 VanDerWaalsContact C-N 3.31Å; N167-F169 VanDerWaalsContact ND2-CD2 3.31Å; N167-F169 WeakPolarHBondContact ND2-CD2 3.38Å; N167-F169 PolarHBondContact O-N 2.78Å; N167-F169 WeakPolarHBondContact OD1-CD2 3.31Å; N167-F169 WeakPolarHBondContact OD1-CE2 3.29Å; N167-F169 WeakPolarHBondContact OD1-CG 3.35Å; N167-F169 PolarHBondContact OD1-N 2.6Å; F169-V171 PolarHBondContact O-N 3.01Å; F169-Y827 AromaticContact CD1-CE1 3.93Å; F169-Y827 HydrophobicContact CD1-CE1 3.93Å; F169-Y827 AromaticContact CD1-CZ 3.93Å; F169-H833 HydrophobicContact CD1-CB 3.79Å; F169-H833 AromaticContact CD1-ND1 3.68Å; F169-H833 HydrophobicContact CD2-CB 3.35Å; F169-H833 HydrophobicContact CE1-CB 3.44Å; F169-H833 VanDerWaalsContact CE1-CB 3.44Å; F169-H833 AromaticContact CE1-CE1 3.97Å; F169-H833 AromaticContact CE1-CG 3.38Å; F169-H833 AromaticContact CE1-ND1 3.18Å; F169-H833 WeakPolarHBondContact CE1-ND1 3.23Å; F169-H833 HydrophobicContact CE2-CB 3.05Å; F169-H833 AromaticContact CE2-CG 3.87Å; F169-H833 HydrophobicContact CG-CB 3.8Å; F169-H833 HydrophobicContact CZ-CB 3.09Å; F169-H833 AromaticContact CZ-CD2 3.98Å; F169-H833 AromaticContact CZ-CG 3.34Å; F169-H833 AromaticContact CZ-ND1 3.68Å
170Y57.7Low80.4Confident72 Ų7247.8 Ų47.828%0.28224%0.243SC..  trans-95.580.9179.4-67-72.4000111.2S168 N172 D173 H207 I688 R831S168-Y170 VanDerWaalsContact C-N 3.35Å; S168-Y170 PolarHBondContact O-N 2.72Å; Y170-N172 PolarHBondContact O-N 2.87Å; Y170-D173 PolarHBondContact O-N 2.77Å; Y170-H207 PolarHBondContact O-CE1 3.14Å; Y170-H207 PolarHBondContact O-ND1 2.9Å; Y170-I688 HydrophobicContact CE1-CD1 4.05Å; Y170-R831 WeakPolarHBondContact OH-CA 3.33Å; Y170-R831 PolarHBondContact OH-O 3.06Å
171V56.5Low80.3Confident30 Ų3047.4 Ų47.418%0.18224%0.241CC..THydrogen-bonded Turntrans-58-20.8-177.6-175.80000113.7F169 H207 H210 I211F169-V171 PolarHBondContact O-N 3.01Å; V171-H207 VanDerWaalsContact O-CB 3.27Å; V171-H207 WeakPolarHBondContact O-CB 3.36Å; V171-H210 HydrophobicContact CG1-CB 3.48Å; V171-H210 VanDerWaalsContact CG1-CB 3.48Å; V171-I211 HydrophobicContact CG1-CD1 4.33Å; V171-I211 HydrophobicContact CG1-CG1 4.48Å
172N60.9Low80.4Confident45 Ų4544.5 Ų44.524%0.24123%0.23CC..THydrogen-bonded Turntrans-82-14.9176.9-63.6-27.6000113.4Y170 F174 I211 V679 Y682Y170-N172 PolarHBondContact O-N 2.87Å; N172-F174 WeakPolarHBondContact O-CD1 3.49Å; N172-F174 PolarHBondContact O-N 3.18Å; N172-I211 VanDerWaalsContact OD1-CD1 3.25Å; N172-I211 WeakPolarHBondContact OD1-CD1 3.31Å; N172-V679 WeakPolarHBondContact ND2-CG1 3.29Å; N172-Y682 WeakPolarHBondContact O-CD1 3.42Å; N172-Y682 WeakPolarHBondContact O-CE1 3.4Å
173D69.6Low80.4Confident17 Ų1746.1 Ų46.19%0.09123%0.229CC..  trans-79.7110.4177.2174.222.4000110.4Y170 Y175 E176 V177 H207Y170-D173 PolarHBondContact O-N 2.77Å; D173-Y175 PolarHBondContact OD1-N 3.3Å; D173-E176 PolarHBondContact OD1-N 2.79Å; D173-E176 VanDerWaalsContact OD2-CB 3.29Å; D173-E176 WeakPolarHBondContact OD2-CB 3.48Å; D173-E176 PolarHBondContact OD2-N 3.45Å; D173-V177 WeakPolarHBondContact O-CG2 3.43Å; D173-V177 WeakPolarHBondContact OD2-CG1 3.36Å; D173-V177 PolarHBondContact OD2-N 3.2Å; D173-H207 PolarHBondContact O-ND1 3.28Å
174F80.8Confident80.3Confident1 Ų141.9 Ų41.90%0.00421%0.213CC..SBendtrans-93.5-15.7178.7-57.1-18.2000113.2N172 H207 I208 I211 K222 Y682N172-F174 WeakPolarHBondContact O-CD1 3.49Å; N172-F174 PolarHBondContact O-N 3.18Å; F174-H207 HydrophobicContact CD1-CB 3.89Å; F174-H207 HydrophobicContact CE1-CB 4.24Å; F174-H207 WeakPolarHBondContact CE1-O 3.44Å; F174-I208 HydrophobicContact CB-CD1 4.14Å; F174-I208 HydrophobicContact CB-CG1 3.82Å; F174-I208 HydrophobicContact CD1-CB 4.49Å; F174-I208 HydrophobicContact CD1-CG1 3.63Å; F174-I208 HydrophobicContact CD2-CD1 4.34Å; F174-I208 HydrophobicContact CD2-CG1 3.55Å; F174-I208 HydrophobicContact CE1-CG1 4.04Å; F174-I208 HydrophobicContact CE2-CG1 3.94Å; F174-I208 HydrophobicContact CG-CD1 4.2Å; F174-I208 HydrophobicContact CG-CG1 3.38Å; F174-I208 HydrophobicContact CZ-CG1 4.18Å; F174-I211 HydrophobicContact CE1-CB 4.26Å; F174-I211 HydrophobicContact CE1-CG1 3.88Å; F174-I211 HydrophobicContact CZ-CB 3.79Å; F174-I211 HydrophobicContact CZ-CG1 3.85Å; F174-I211 HydrophobicContact CZ-CG2 4.05Å; F174-K222 WeakPolarHBondContact O-CE 3.47Å; F174-K222 PolarHBondContact O-NZ 2.94Å; F174-Y682 HydrophobicContact CD2-CE1 4Å; F174-Y682 AromaticContact CE2-CE1 3.97Å; F174-Y682 HydrophobicContact CE2-CE1 3.97Å; F174-Y682 AromaticContact CE2-CZ 3.99Å; F174-Y682 WeakPolarHBondContact CE2-OH 3.5Å; F174-Y682 HydrophobicContact CG-CE1 4.41Å; F174-Y682 HydrophobicContact CZ-CE1 4.31Å
175Y82.8Confident80.1Confident105 Ų10538.1 Ų38.141%0.41220%0.196SC..SBendtrans-127-43.3-163.1-58.8-78.3000113.5D173 D178 A179D173-Y175 PolarHBondContact OD1-N 3.3Å; Y175-D178 PolarHBondContact O-N 3.27Å; Y175-A179 WeakPolarHBondContact O-CB 3.47Å; Y175-A179 PolarHBondContact O-N 2.71Å
176E82.5Confident80Confident111 Ų11140.8 Ų40.852%0.51921%0.211SC..Hα-helixtrans-68.7-41.5-175.2-178-176.1168.700110.8D173 D178 A179 N180D173-E176 PolarHBondContact OD1-N 2.79Å; D173-E176 VanDerWaalsContact OD2-CB 3.29Å; D173-E176 WeakPolarHBondContact OD2-CB 3.48Å; D173-E176 PolarHBondContact OD2-N 3.45Å; E176-D178 VanDerWaalsContact C-N 3.27Å; E176-D178 PolarHBondContact O-N 3.13Å; E176-A179 PolarHBondContact O-N 3.23Å; E176-N180 VanDerWaalsContact O-CB 3.25Å; E176-N180 WeakPolarHBondContact O-CB 3.44Å; E176-N180 PolarHBondContact O-N 2.99Å; E176-N180 PolarHBondContact O-ND2 2.71Å; E176-N180 PolarHBondContact O-OD1 3.3Å
177V85.5Confident80Confident6 Ų644.5 Ų44.54%0.03623%0.233CC..Hα-helixtrans-52.4-41.6172-76.90000112.9D173 V181 L203D173-V177 WeakPolarHBondContact O-CG2 3.43Å; D173-V177 WeakPolarHBondContact OD2-CG1 3.36Å; D173-V177 PolarHBondContact OD2-N 3.2Å; V177-V181 WeakPolarHBondContact O-CG2 3.49Å; V177-L203 HydrophobicContact CB-CB 4.38Å; V177-L203 HydrophobicContact CG1-CD1 4.41Å; V177-L203 HydrophobicContact CG2-CB 4.26Å
178D92.7Very high80.3Confident1 Ų142.5 Ų42.51%0.00522%0.223CC..Hα-helixtrans-85.6-33.1-178.3-72.2-8.1000112.1Y175 E176 N180 V181 T182 Y202 L203 G204 K222 M226Y175-D178 PolarHBondContact O-N 3.27Å; E176-D178 VanDerWaalsContact C-N 3.27Å; E176-D178 PolarHBondContact O-N 3.13Å; D178-N180 VanDerWaalsContact C-N 3.3Å; D178-N180 PolarHBondContact O-N 2.88Å; D178-V181 PolarHBondContact O-N 3.19Å; D178-T182 WeakPolarHBondContact O-CB 3.22Å; D178-T182 PolarHBondContact O-N 2.84Å; D178-T182 PolarHBondContact O-OG1 3.1Å; D178-Y202 HydrophobicContact CB-CD1 3.82Å; D178-Y202 HydrophobicContact CB-CE1 4.26Å; D178-L203 PolarHBondContact OD1-N 3.43Å; D178-G204 PolarHBondContact OD1-N 2.9Å; D178-G204 WeakPolarHBondContact OD2-CA 3.15Å; D178-G204 PolarHBondContact OD2-N 3.24Å; D178-K222 WeakPolarHBondContact OD2-CD 3.32Å; D178-K222 WeakPolarHBondContact OD2-CE 3.49Å; D178-K222 IonicContact OD2-NZ 2.7Å; D178-K222 PolarHBondContact OD2-NZ 3.33Å; D178-M226 HydrophobicContact CB-CE 4.27Å
179A89.6Confident80.4Confident49 Ų4941.8 Ų41.841%0.40522%0.216SC..Hα-helixtrans-64.4-38.3174.700000111.3Y175 E176 V181 T182 R183Y175-A179 WeakPolarHBondContact O-CB 3.47Å; Y175-A179 PolarHBondContact O-N 2.71Å; E176-A179 PolarHBondContact O-N 3.23Å; A179-V181 PolarHBondContact O-N 3.15Å; A179-T182 PolarHBondContact O-N 2.87Å; A179-R183 PolarHBondContact O-N 3.09Å
180N88.9Confident81.4Confident43 Ų4345.1 Ų45.123%0.2324%0.24CC..Hα-helixtrans-63.1-31.3176.6-71.6-14.8000112.3T166 E176 D178 R183 H184T166-N180 HydrophobicContact CG2-CB 3.62Å; E176-N180 VanDerWaalsContact O-CB 3.25Å; E176-N180 WeakPolarHBondContact O-CB 3.44Å; E176-N180 PolarHBondContact O-N 2.99Å; E176-N180 PolarHBondContact O-ND2 2.71Å; E176-N180 PolarHBondContact O-OD1 3.3Å; D178-N180 VanDerWaalsContact C-N 3.3Å; D178-N180 PolarHBondContact O-N 2.88Å; N180-R183 VanDerWaalsContact O-CZ 3.25Å; N180-R183 PolarHBondContact O-NE 3.14Å; N180-R183 PolarHBondContact O-NH2 3.47Å; N180-R183 PolarHBondContact OD1-NH1 3.02Å; N180-H184 PolarHBondContact O-CD2 2.78Å; N180-H184 PolarHBondContact O-NE2 3.24Å
181V94Very high82.7Confident1 Ų143.7 Ų43.71%0.00624%0.238CC..Hα-helixtrans-76.9-49.9170.6-177.60000110.8G148 T166 V177 D178 A179 R183 H184 L200 Y202G148-V181 VanDerWaalsContact CA-CG2 3.49Å; T166-V181 HydrophobicContact CG2-CG2 3.98Å; V177-V181 WeakPolarHBondContact O-CG2 3.49Å; D178-V181 PolarHBondContact O-N 3.19Å; A179-V181 PolarHBondContact O-N 3.15Å; V181-R183 PolarHBondContact O-N 2.79Å; V181-H184 PolarHBondContact O-N 2.66Å; V181-L200 HydrophobicContact CG1-CB 4.28Å; V181-L200 HydrophobicContact CG1-CD2 3.89Å; V181-Y202 HydrophobicContact CB-CD1 4.28Å; V181-Y202 HydrophobicContact CB-CE1 3.76Å; V181-Y202 HydrophobicContact CG1-CD1 4.37Å; V181-Y202 HydrophobicContact CG1-CE1 3.77Å; V181-Y202 HydrophobicContact CG1-CE2 3.93Å
182T94Very high83.9Confident33 Ų3342.8 Ų42.820%0.20223%0.233CC..Hα-helixtrans-62.5-35.8-171.1-61.70000113.7D178 A179 H184 I185 Y202 V229D178-T182 WeakPolarHBondContact O-CB 3.22Å; D178-T182 PolarHBondContact O-N 2.84Å; D178-T182 PolarHBondContact O-OG1 3.1Å; A179-T182 PolarHBondContact O-N 2.87Å; T182-H184 PolarHBondContact O-N 2.77Å; T182-H184 VanDerWaalsContact O-N 3.15Å; T182-I185 HydrophobicContact CG2-CD1 4.35Å; T182-I185 WeakPolarHBondContact O-CB 3.22Å; T182-I185 WeakPolarHBondContact O-CG1 3.39Å; T182-I185 PolarHBondContact O-N 3.36Å; T182-I185 VanDerWaalsContact O-N 3.09Å; T182-Y202 WeakPolarHBondContact OG1-CE1 3.19Å; T182-Y202 PolarHBondContact OG1-OH 3.24Å; T182-V229 HydrophobicContact CG2-CG2 3.84Å
183R92.3Very high85.1Confident100 Ų10045.5 Ų45.538%0.37725%0.248SC..Hα-helixtrans-58.1-30.9-17869.9-173.1-179.1-135.7-12.9113.1E164 A179 N180 V181 I185 S186E164-R183 IonicContact OE1-CZ 2.82Å; E164-R183 IonicContact OE1-NH2 3.22Å; E164-R183 PolarHBondContact OE1-NH2 3.46Å; E164-R183 IonicContact OE2-CZ 3.52Å; E164-R183 IonicContact OE2-NH2 2.69Å; E164-R183 PolarHBondContact OE2-NH2 3.38Å; A179-R183 PolarHBondContact O-N 3.09Å; N180-R183 VanDerWaalsContact O-CZ 3.25Å; N180-R183 PolarHBondContact O-NE 3.14Å; N180-R183 PolarHBondContact O-NH2 3.47Å; N180-R183 PolarHBondContact OD1-NH1 3.02Å; V181-R183 PolarHBondContact O-N 2.79Å; R183-I185 VanDerWaalsContact C-N 3.32Å; R183-I185 PolarHBondContact O-N 3.37Å; R183-S186 PolarHBondContact O-OG 3.26Å
184H91.5Very high86Confident30 Ų3051.2 Ų51.214%0.13927%0.272CS..Hα-helixtrans-72.1-25.4-179.2-64-76.4000112.9Y147 E164 N180 V181 T182 S186 T187 L188Y147-H184 HydrophobicContact CD1-CB 3.91Å; Y147-H184 AromaticContact CD1-CD2 3.32Å; Y147-H184 WeakPolarHBondContact CD1-CD2 3.34Å; Y147-H184 AromaticContact CD1-CG 3.45Å; Y147-H184 VanDerWaalsContact CD1-CG 3.45Å; Y147-H184 AromaticContact CD1-ND1 3.98Å; Y147-H184 AromaticContact CD1-NE2 3.84Å; Y147-H184 HydrophobicContact CD2-CB 4.27Å; Y147-H184 HydrophobicContact CE1-CB 3.8Å; Y147-H184 AromaticContact CE1-CD2 3.61Å; Y147-H184 AromaticContact CE1-CE1 3.76Å; Y147-H184 AromaticContact CE1-CG 3.3Å; Y147-H184 AromaticContact CE1-ND1 3.42Å; Y147-H184 WeakPolarHBondContact CE1-ND1 3.43Å; Y147-H184 AromaticContact CE1-NE2 3.93Å; Y147-H184 HydrophobicContact CE2-CB 4.19Å; Y147-H184 HydrophobicContact CG-CB 4.13Å; Y147-H184 AromaticContact CZ-CG 3.9Å; E164-H184 IonicContact OE2-CE1 3.69Å; E164-H184 PolarHBondContact OE2-CE1 3.41Å; E164-H184 IonicContact OE2-NE2 2.76Å; E164-H184 PolarHBondContact OE2-NE2 3.3Å; N180-H184 PolarHBondContact O-CD2 2.78Å; N180-H184 PolarHBondContact O-NE2 3.24Å; V181-H184 PolarHBondContact O-N 2.66Å; T182-H184 PolarHBondContact O-N 2.77Å; T182-H184 VanDerWaalsContact O-N 3.15Å; H184-S186 VanDerWaalsContact C-N 3.26Å; H184-S186 PolarHBondContact O-N 3.47Å; H184-T187 PolarHBondContact O-N 3.39Å; H184-L188 HydrophobicContact CB-CD1 4.07Å; H184-L188 HydrophobicContact CB-CG 4.44Å; H184-L188 VanDerWaalsContact O-CG 3.25Å; H184-L188 WeakPolarHBondContact O-CG 3.45Å; H184-L188 PolarHBondContact O-N 3.11Å
185I88.4Confident86.5Confident6 Ų651.2 Ų51.23%0.03127%0.271CS..Hα-helixtrans-52.5-46.1-178.7-63.5177.6000110.7T182 R183 T187 L188 M189 L200 Y202 V229 I233T182-I185 HydrophobicContact CG2-CD1 4.35Å; T182-I185 WeakPolarHBondContact O-CB 3.22Å; T182-I185 WeakPolarHBondContact O-CG1 3.39Å; T182-I185 PolarHBondContact O-N 3.36Å; T182-I185 VanDerWaalsContact O-N 3.09Å; R183-I185 VanDerWaalsContact C-N 3.32Å; R183-I185 PolarHBondContact O-N 3.37Å; I185-T187 VanDerWaalsContact C-N 3.27Å; I185-T187 PolarHBondContact O-N 3.39Å; I185-L188 PolarHBondContact O-N 2.93Å; I185-M189 HydrophobicContact CG2-CE 3.99Å; I185-M189 HydrophobicContact CG2-CG 3.82Å; I185-M189 VanDerWaalsContact O-CB 3.25Å; I185-M189 WeakPolarHBondContact O-CB 3.48Å; I185-M189 WeakPolarHBondContact O-CG 3.02Å; I185-M189 PolarHBondContact O-N 2.81Å; I185-L200 HydrophobicContact CD1-CD1 4.26Å; I185-L200 HydrophobicContact CG1-CD1 4.33Å; I185-Y202 WeakPolarHBondContact CD1-OH 3.48Å; I185-V229 HydrophobicContact CD1-CG1 3.67Å; I185-I233 HydrophobicContact CD1-CD1 4.1Å; I185-I233 HydrophobicContact CD1-CG1 4.22Å; I185-I233 HydrophobicContact CG2-CG1 4.26Å
186S85.8Confident87Confident79 Ų7947.8 Ų47.855%0.55226%0.26SS*.Hα-helixtrans-55.5-38.5178.762.90000114R183 H184 T190R183-S186 PolarHBondContact O-OG 3.26Å; H184-S186 VanDerWaalsContact C-N 3.26Å; H184-S186 PolarHBondContact O-N 3.47Å; S186-T190 WeakPolarHBondContact O-CG2 3.45Å; S186-T190 PolarHBondContact O-N 2.82Å; S186-T190 PolarHBondContact O-OG1 3.15Å
187T85.3Confident87.7Confident87 Ų8742.5 Ų42.553%0.53424%0.236SC..Hα-helixtrans-81.7-37.7-178.6-56.30000111.7H184 I185 M189 T190 T191H184-T187 PolarHBondContact O-N 3.39Å; I185-T187 VanDerWaalsContact C-N 3.27Å; I185-T187 PolarHBondContact O-N 3.39Å; T187-M189 VanDerWaalsContact C-N 3.29Å; T187-M189 PolarHBondContact O-N 2.87Å; T187-T190 WeakPolarHBondContact CA-OG1 3.28Å; T187-T190 PolarHBondContact O-N 2.85Å; T187-T190 PolarHBondContact O-OG1 2.86Å; T187-T191 PolarHBondContact O-N 3.39Å; T187-T191 PolarHBondContact O-OG1 3.33Å
188L78.7Confident88.1Confident4 Ų442.2 Ų42.22%0.02123%0.234CC..Hα-helixtrans-64.3-37.7176.9-64.7168.6000112.1Y147 H184 I185 T191 W195 L198Y147-L188 HydrophobicContact CD2-CD1 3.82Å; Y147-L188 HydrophobicContact CE2-CD1 3.5Å; Y147-L188 VanDerWaalsContact CE2-CD1 3.5Å; Y147-L188 HydrophobicContact CE2-CD2 3.75Å; Y147-L188 HydrophobicContact CE2-CG 4.08Å; H184-L188 HydrophobicContact CB-CD1 4.07Å; H184-L188 HydrophobicContact CB-CG 4.44Å; H184-L188 VanDerWaalsContact O-CG 3.25Å; H184-L188 WeakPolarHBondContact O-CG 3.45Å; H184-L188 PolarHBondContact O-N 3.11Å; I185-L188 PolarHBondContact O-N 2.93Å; L188-T191 CarbonylContact O-C 3.59Å; L188-T191 PolarHBondContact O-N 3.36Å; L188-W195 PolarHBondContact O-NE1 3.12Å; L188-W195 VanDerWaalsContact O-NE1 3.11Å; L188-L198 HydrophobicContact CD1-CD1 3.72Å; L188-L198 HydrophobicContact CD1-CD2 4.1Å
189M71.7Confident88.3Confident20 Ų2042.1 Ų42.110%0.09923%0.234CC..Hα-helixtrans-77.4-24.2-177.3-66.5-56.8176.800113.2I185 T187 T191 I233 V236I185-M189 HydrophobicContact CG2-CE 3.99Å; I185-M189 HydrophobicContact CG2-CG 3.82Å; I185-M189 VanDerWaalsContact O-CB 3.25Å; I185-M189 WeakPolarHBondContact O-CB 3.48Å; I185-M189 WeakPolarHBondContact O-CG 3.02Å; I185-M189 PolarHBondContact O-N 2.81Å; T187-M189 VanDerWaalsContact C-N 3.29Å; T187-M189 PolarHBondContact O-N 2.87Å; M189-T191 VanDerWaalsContact C-N 3.33Å; M189-I233 HydrophobicContact CE-CB 3.88Å; M189-I233 HydrophobicContact CE-CG1 3.64Å; M189-I233 HydrophobicContact CE-CG2 3.91Å; M189-V236 HydrophobicContact CB-CB 4.25Å; M189-V236 HydrophobicContact CB-CG1 3.89Å; M189-V236 HydrophobicContact CB-CG2 3.68Å; M189-V236 HydrophobicContact CE-CB 4.5Å; M189-V236 HydrophobicContact CG-CB 4.06Å; M189-V236 HydrophobicContact CG-CG1 4.05Å; M189-V236 HydrophobicContact CG-CG2 3.69Å; M189-V236 HydrophobicContact SD-CB 3.4Å; M189-V236 WeakPolarHBondContact SD-CB 3.45Å; M189-V236 HydrophobicContact SD-CG1 3.3Å; M189-V236 WeakPolarHBondContact SD-CG1 2.96Å; M189-V236 HydrophobicContact SD-CG2 3.74Å
190T80.4Confident88.7Confident108 Ų10839.8 Ų39.866%0.66321%0.214SC*.Hα-helixtrans-81.5-13.317247.90000113S186 T187 P192S186-T190 WeakPolarHBondContact O-CG2 3.45Å; S186-T190 PolarHBondContact O-N 2.82Å; S186-T190 PolarHBondContact O-OG1 3.15Å; T187-T190 WeakPolarHBondContact CA-OG1 3.28Å; T187-T190 PolarHBondContact O-N 2.85Å; T187-T190 PolarHBondContact O-OG1 2.86Å; T190-P192 WeakPolarHBondContact O-CD 3.42Å
191T85.4Confident89.1Confident42 Ų4237.8 Ų37.826%0.25820%0.203SC..  trans-126.355.7179560000113.1T187 L188 M189 D193 K194T187-T191 PolarHBondContact O-N 3.39Å; T187-T191 PolarHBondContact O-OG1 3.33Å; L188-T191 CarbonylContact O-C 3.59Å; L188-T191 PolarHBondContact O-N 3.36Å; M189-T191 VanDerWaalsContact C-N 3.33Å; T191-D193 PolarHBondContact O-N 2.68Å; T191-K194 HydrophobicContact CG2-CD 4.28Å; T191-K194 PolarHBondContact O-N 3.5Å
192P81.4Confident89.3Confident11 Ų1137.8 Ų37.87%0.07120%0.203CC..G310 helixtrans-62.3-18.6-172.328-37.4000114.7T190 K194 I243T190-P192 WeakPolarHBondContact O-CD 3.42Å; P192-K194 VanDerWaalsContact C-N 3.3Å; P192-I243 HydrophobicContact CB-CD1 3.37Å; P192-I243 HydrophobicContact CB-CG1 3.72Å; P192-I243 HydrophobicContact CG-CD1 4.5Å
193D85.1Confident89.3Confident102 Ų10236.3 Ų36.355%0.54519%0.194SC..G310 helixtrans-80.6-8.4179.2-60.9-51.1000113.5T191 K246T191-D193 PolarHBondContact O-N 2.68Å; D193-K246 IonicContact OD1-NZ 2.65Å
194K88.7Confident89.2Confident137 Ų13731.5 Ų31.560%0.59618%0.176SC*.G310 helixtrans-90.9-7.2-175.6-67-171.1-179.3178.20115.5Q145 T191 P192Q145-K194 PolarHBondContact NE2-O 3.01Å; T191-K194 HydrophobicContact CG2-CD 4.28Å; T191-K194 PolarHBondContact O-N 3.5Å; P192-K194 VanDerWaalsContact C-N 3.3Å
195W91.8Very high89.3Confident0 Ų030.3 Ų30.30%017%0.171CC..  trans-143140.8-176.957.9-94.2000110.5K53 V55 Q145 L188 L198 L237 I243K53-W195 HydrophobicContact CB-CZ3 4.49Å; K53-W195 HydrophobicContact CD-CZ3 4.38Å; K53-W195 WeakPolarHBondContact CD-O 3.37Å; K53-W195 WeakPolarHBondContact CE-O 3.47Å; K53-W195 PolarHBondContact NZ-O 3.38Å; V55-W195 HydrophobicContact CG2-CH2 3.69Å; V55-W195 HydrophobicContact CG2-CZ3 3.77Å; Q145-W195 HydrophobicContact CB-CB 4.46Å; Q145-W195 HydrophobicContact CG-CB 3.82Å; L188-W195 PolarHBondContact O-NE1 3.12Å; L188-W195 VanDerWaalsContact O-NE1 3.11Å; W195-L198 HydrophobicContact CD2-CB 4.33Å; W195-L198 HydrophobicContact CE3-CB 3.89Å; W195-L198 HydrophobicContact CZ3-CB 4Å; W195-L237 HydrophobicContact CH2-CD2 4.23Å; W195-I243 HydrophobicContact CZ2-CD1 4.33Å
196D94.3Very high89.4Confident33 Ų3330.4 Ų30.418%0.17617%0.171CC..SBendtrans-104.3-30.1175.1-53.8-52000111.3K53 F54 W142 N143K53-D196 CarbonylContact C-O 3.53Å; K53-D196 WeakPolarHBondContact CA-O 3.09Å; K53-D196 IonicContact NZ-OD1 3.47Å; K53-D196 PolarHBondContact NZ-OD1 3.14Å; F54-D196 PolarHBondContact N-O 2.85Å; W142-D196 HydrophobicContact CB-CB 4.41Å; W142-D196 HydrophobicContact CD2-CB 4.13Å; W142-D196 HydrophobicContact CE3-CB 3.59Å; W142-D196 HydrophobicContact CZ3-CB 4.18Å; N143-D196 WeakPolarHBondContact CB-OD2 3.41Å; N143-D196 PolarHBondContact N-OD2 2.64Å; N143-D196 PolarHBondContact ND2-OD2 3.12Å; N143-D196 PolarHBondContact O-N 3.13Å
197C95.5Very high89.5Confident0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-127.2130.4174.4178.70000110.2F54 L137 W142 N143 I144 Q145F54-C197 HydrophobicContact CD1-CB 4.4Å; F54-C197 WeakPolarHBondContact CD1-SG 3.38Å; F54-C197 CarbonylContact O-C 3.36Å; F54-C197 VanDerWaalsContact O-CA 3.29Å; F54-C197 WeakPolarHBondContact O-CA 3.5Å; L137-C197 HydrophobicContact CD1-CB 4.33Å; W142-C197 HydrophobicContact CE3-CB 4.13Å; N143-C197 PolarHBondContact O-N 3.48Å; I144-C197 WeakPolarHBondContact CA-O 3.07Å; I144-C197 HydrophobicContact CB-CB 4.36Å; I144-C197 HydrophobicContact CG1-CB 4.14Å; I144-C197 HydrophobicContact CG2-CB 4.05Å; Q145-C197 PolarHBondContact N-O 2.89Å
198L95.5Very high89.5Confident0 Ų022.7 Ų22.70%012%0.121CC..EExtended strand (participates in β ladder)trans-119.4122.5172.4176.561.5000109.8F54 V55 M56 Q145 Y147 L188 W195 L200F54-L198 PolarHBondContact O-N 3Å; V55-L198 CarbonylContact C-O 3.43Å; V55-L198 WeakPolarHBondContact CA-O 3.21Å; V55-L198 HydrophobicContact CG1-CB 4.33Å; V55-L198 HydrophobicContact CG1-CD2 4.26Å; V55-L198 HydrophobicContact CG1-CG 4.39Å; V55-L198 HydrophobicContact CG2-CB 4.25Å; M56-L198 PolarHBondContact N-O 2.99Å; Q145-L198 HydrophobicContact CB-CD1 4.26Å; Y147-L198 HydrophobicContact CD2-CD1 4.17Å; Y147-L198 HydrophobicContact CE2-CD1 4.38Å; L188-L198 HydrophobicContact CD1-CD1 3.72Å; L188-L198 HydrophobicContact CD1-CD2 4.1Å; W195-L198 HydrophobicContact CD2-CB 4.33Å; W195-L198 HydrophobicContact CE3-CB 3.89Å; W195-L198 HydrophobicContact CZ3-CB 4Å; L198-L200 HydrophobicContact CD1-CD2 3.99Å; L198-L200 HydrophobicContact CD1-CG 4.35Å; L198-L200 HydrophobicContact CD2-CD1 4.32Å; L198-L200 HydrophobicContact CD2-CG 4.43Å; L198-L200 HydrophobicContact CG-CD2 4.33Å; L198-L200 HydrophobicContact CG-CG 4.16Å
199I97.3Very high89.8Confident0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-115.5124.2176.4-56.8169000108.4M56 W133 I144 Q145 F146 Y147 W152 F160M56-I199 CarbonylContact O-C 3.55Å; M56-I199 WeakPolarHBondContact O-CA 3.2Å; W133-I199 HydrophobicContact CH2-CD1 3.59Å; W133-I199 HydrophobicContact CH2-CG1 4.29Å; W133-I199 HydrophobicContact CZ3-CD1 3.95Å; I144-I199 HydrophobicContact CG2-CD1 4.03Å; Q145-I199 PolarHBondContact O-N 3.05Å; F146-I199 WeakPolarHBondContact CA-O 3.28Å; F146-I199 HydrophobicContact CD2-CB 3.92Å; F146-I199 HydrophobicContact CD2-CG2 3.75Å; F146-I199 HydrophobicContact CE2-CG2 4.07Å; Y147-I199 PolarHBondContact N-O 2.94Å; W152-I199 HydrophobicContact CD2-CG2 4.49Å; W152-I199 HydrophobicContact CH2-CG2 4.27Å; W152-I199 HydrophobicContact CZ2-CG2 4.23Å; W152-I199 HydrophobicContact CZ3-CD1 4.14Å; W152-I199 HydrophobicContact CZ3-CG2 4.4Å; F160-I199 HydrophobicContact CE1-CD1 4.18Å
200L97.7Very high90.1Very high0 Ų023.1 Ų23.10%012%0.122CC..EExtended strand (participates in β ladder)trans-119.5131.2175.7-58.6174.5000109.1M56 V57 V58 Y147 V181 I185 L198 Y202 I233M56-L200 PolarHBondContact O-N 2.88Å; V57-L200 WeakPolarHBondContact CA-O 3.32Å; V57-L200 HydrophobicContact CG2-CB 4.4Å; V57-L200 HydrophobicContact CG2-CD1 4.25Å; V58-L200 PolarHBondContact N-O 2.8Å; Y147-L200 HydrophobicContact CD2-CD2 4.03Å; Y147-L200 HydrophobicContact CG-CD2 4.37Å; Y147-L200 CarbonylContact O-C 3.27Å; Y147-L200 VanDerWaalsContact O-CA 3.24Å; Y147-L200 WeakPolarHBondContact O-CA 3.31Å; V181-L200 HydrophobicContact CG1-CB 4.28Å; V181-L200 HydrophobicContact CG1-CD2 3.89Å; I185-L200 HydrophobicContact CD1-CD1 4.26Å; I185-L200 HydrophobicContact CG1-CD1 4.33Å; L198-L200 HydrophobicContact CD1-CD2 3.99Å; L198-L200 HydrophobicContact CD1-CG 4.35Å; L198-L200 HydrophobicContact CD2-CD1 4.32Å; L198-L200 HydrophobicContact CD2-CG 4.43Å; L198-L200 HydrophobicContact CG-CD2 4.33Å; L198-L200 HydrophobicContact CG-CG 4.16Å; L200-Y202 HydrophobicContact CB-CD2 4.4Å; L200-Y202 HydrophobicContact CB-CE2 3.82Å; L200-Y202 HydrophobicContact CD1-CE2 4.33Å; L200-I233 HydrophobicContact CD1-CD1 3.61Å
201H97.4Very high89.7Confident0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-127.7105.7177.2-165.8-176.4000111.7V58 F146 Y147 G148 D149 W152V58-H201 HydrophobicContact CB-CB 4.38Å; V58-H201 VanDerWaalsContact CG1-CD2 3.47Å; V58-H201 WeakPolarHBondContact CG1-CD2 3.27Å; V58-H201 WeakPolarHBondContact CG1-NE2 3.01Å; V58-H201 CarbonylContact O-C 3.55Å; V58-H201 VanDerWaalsContact O-CA 3.32Å; V58-H201 WeakPolarHBondContact O-CA 3.32Å; V58-H201 PolarHBondContact O-CD2 2.9Å; F146-H201 HydrophobicContact CE2-CB 4.17Å; F146-H201 HydrophobicContact CZ-CB 4.4Å; Y147-H201 PolarHBondContact O-N 3.32Å; G148-H201 WeakPolarHBondContact CA-O 3.28Å; D149-H201 HydrophobicContact CB-CB 4.43Å; D149-H201 PolarHBondContact N-O 2.85Å; W152-H201 AromaticContact CD1-ND1 3.46Å; W152-H201 AromaticContact NE1-CE1 3.94Å; W152-H201 AromaticContact NE1-CG 3.7Å; W152-H201 AromaticContact NE1-ND1 3.04Å; W152-H201 PolarHBondContact NE1-ND1 3.09Å
202Y97.1Very high89.3Confident1 Ų122.2 Ų22.20%0.00411%0.109CC..EExtended strand (participates in β ladder)trans-90.8140.8-178.3-71.1-87.3000111.8V57 V58 D60 D178 V181 T182 I185 L200 M226 V229V57-Y202 HydrophobicContact CG1-CD2 3.91Å; V57-Y202 HydrophobicContact CG1-CE2 4.01Å; V58-Y202 PolarHBondContact O-N 2.79Å; D60-Y202 VanDerWaalsContact CB-O 3.24Å; D60-Y202 WeakPolarHBondContact CB-O 3.35Å; D60-Y202 PolarHBondContact N-O 2.84Å; D178-Y202 HydrophobicContact CB-CD1 3.82Å; D178-Y202 HydrophobicContact CB-CE1 4.26Å; V181-Y202 HydrophobicContact CB-CD1 4.28Å; V181-Y202 HydrophobicContact CB-CE1 3.76Å; V181-Y202 HydrophobicContact CG1-CD1 4.37Å; V181-Y202 HydrophobicContact CG1-CE1 3.77Å; V181-Y202 HydrophobicContact CG1-CE2 3.93Å; T182-Y202 WeakPolarHBondContact OG1-CE1 3.19Å; T182-Y202 PolarHBondContact OG1-OH 3.24Å; I185-Y202 WeakPolarHBondContact CD1-OH 3.48Å; L200-Y202 HydrophobicContact CB-CD2 4.4Å; L200-Y202 HydrophobicContact CB-CE2 3.82Å; L200-Y202 HydrophobicContact CD1-CE2 4.33Å; Y202-M226 HydrophobicContact CD1-CE 3.8Å; Y202-M226 HydrophobicContact CD1-SD 3.75Å; Y202-M226 HydrophobicContact CD2-SD 4.25Å; Y202-M226 HydrophobicContact CE1-CE 4.02Å; Y202-M226 HydrophobicContact CE1-SD 4.21Å; Y202-M226 HydrophobicContact CG-CE 4.42Å; Y202-M226 HydrophobicContact CG-SD 3.75Å; Y202-V229 HydrophobicContact CE2-CG1 4.09Å; Y202-V229 WeakPolarHBondContact OH-CG1 3.25Å
203L93.5Very high89.3Confident2 Ų222.1 Ų22.11%0.0111%0.11CC..  trans-113.9-24-173.2-70.3168.9000113.1D60 D149 V177 D178 L205 D206 H207D60-L203 HydrophobicContact CB-CD2 4.19Å; D60-L203 WeakPolarHBondContact OD2-CD2 3.36Å; D149-L203 HydrophobicContact CB-CD1 4.17Å; D149-L203 HydrophobicContact CB-CD2 3.96Å; D149-L203 HydrophobicContact CB-CG 4.22Å; V177-L203 HydrophobicContact CB-CB 4.38Å; V177-L203 HydrophobicContact CG1-CD1 4.41Å; V177-L203 HydrophobicContact CG2-CB 4.26Å; D178-L203 PolarHBondContact OD1-N 3.43Å; L203-L205 PolarHBondContact O-N 3.03Å; L203-L205 VanDerWaalsContact O-N 3.07Å; L203-D206 PolarHBondContact O-N 2.95Å; L203-D206 VanDerWaalsContact O-N 3.13Å; L203-H207 PolarHBondContact O-CD2 3.32Å; L203-H207 PolarHBondContact O-N 3.33Å
204G91.4Very high89.3Confident0 Ų017.4 Ų17.40%09%0.085CC..Hα-helixtrans-62-24.6-167.900000114.6D178 I208D178-G204 PolarHBondContact OD1-N 2.9Å; D178-G204 WeakPolarHBondContact OD2-CA 3.15Å; D178-G204 PolarHBondContact OD2-N 3.24Å; G204-I208 WeakPolarHBondContact O-CD1 3.19Å; G204-I208 VanDerWaalsContact O-CG1 3.25Å; G204-I208 WeakPolarHBondContact O-CG1 3.48Å; G204-I208 PolarHBondContact O-N 3.41Å; G204-I208 VanDerWaalsContact O-N 3.07Å
205L93.9Very high89Confident5 Ų514.9 Ų14.93%0.0269%0.085CC..Hα-helixtrans-70.4-43.3176.6-175.964.9000112.5V59 L62 F66 L203 I208 G209 I219 K222V59-L205 HydrophobicContact CG1-CB 3.84Å; V59-L205 HydrophobicContact CG1-CD2 3.64Å; V59-L205 HydrophobicContact CG1-CG 4.4Å; L62-L205 HydrophobicContact CB-CD2 4.26Å; L62-L205 HydrophobicContact CD1-CD2 3.8Å; F66-L205 HydrophobicContact CD2-CD2 3.89Å; F66-L205 HydrophobicContact CE2-CD1 4.31Å; F66-L205 HydrophobicContact CE2-CD2 4.18Å; F66-L205 HydrophobicContact CE2-CG 4.33Å; L203-L205 PolarHBondContact O-N 3.03Å; L203-L205 VanDerWaalsContact O-N 3.07Å; L205-I208 PolarHBondContact O-N 3.49Å; L205-G209 PolarHBondContact O-N 3.29Å; L205-I219 HydrophobicContact CD1-CD1 3.71Å; L205-I219 HydrophobicContact CD1-CG2 4.44Å; L205-K222 HydrophobicContact CB-CG 4.25Å; L205-K222 HydrophobicContact CD1-CG 4.12Å
206D90.3Very high88.6Confident8 Ų815.3 Ų15.34%0.0439%0.089CC..Hα-helixtrans-66.8-41.4175.1-17757.8000111.3D60 A61 L203 I208 G209 H210 H256 H264D60-D206 HydrophobicContact CB-CB 3.8Å; D60-D206 WeakPolarHBondContact OD1-CB 3.2Å; A61-D206 HydrophobicContact CB-CB 3.55Å; A61-D206 VanDerWaalsContact CB-OD1 3.27Å; A61-D206 WeakPolarHBondContact CB-OD1 3.29Å; L203-D206 PolarHBondContact O-N 2.95Å; L203-D206 VanDerWaalsContact O-N 3.13Å; D206-I208 PolarHBondContact O-N 2.93Å; D206-G209 CarbonylContact O-C 3.55Å; D206-G209 VanDerWaalsContact O-CA 3.3Å; D206-G209 WeakPolarHBondContact O-CA 3.48Å; D206-G209 PolarHBondContact O-N 2.95Å; D206-H210 PolarHBondContact O-N 3.27Å; D206-H210 IonicContact OD2-CD2 3.64Å; D206-H210 PolarHBondContact OD2-CD2 3.17Å; D206-H210 IonicContact OD2-NE2 3.64Å; D206-H210 PolarHBondContact OD2-NE2 2.7Å; D206-H256 IonicContact OD1-CE1 3.81Å; D206-H264 IonicContact OD1-CD2 3.72Å; D206-H264 PolarHBondContact OD1-CD2 3.32Å; D206-H264 IonicContact OD2-NE2 3.09Å
207H87Confident88.2Confident3 Ų317 Ų171%0.01410%0.103CC..Hα-helixtrans-55.9-47.9174.3-72.9-164.1000112.3Y170 V171 D173 F174 L203 G209 H210 I211Y170-H207 PolarHBondContact O-CE1 3.14Å; Y170-H207 PolarHBondContact O-ND1 2.9Å; V171-H207 VanDerWaalsContact O-CB 3.27Å; V171-H207 WeakPolarHBondContact O-CB 3.36Å; D173-H207 PolarHBondContact O-ND1 3.28Å; F174-H207 HydrophobicContact CD1-CB 3.89Å; F174-H207 HydrophobicContact CE1-CB 4.24Å; F174-H207 WeakPolarHBondContact CE1-O 3.44Å; L203-H207 PolarHBondContact O-CD2 3.32Å; L203-H207 PolarHBondContact O-N 3.33Å; H207-G209 VanDerWaalsContact C-N 3.31Å; H207-G209 PolarHBondContact O-N 2.92Å; H207-H210 PolarHBondContact O-N 3.23Å; H207-I211 WeakPolarHBondContact O-CG1 3.14Å; H207-I211 PolarHBondContact O-N 3.05Å
208I84.6Confident87.8Confident1 Ų117.4 Ų17.41%0.00511%0.106CC..Hα-helixtrans-62.8-42.2173-66.1164.3000110.4F174 G204 L205 D206 H210 I211 E212 I219 K222F174-I208 HydrophobicContact CB-CD1 4.14Å; F174-I208 HydrophobicContact CB-CG1 3.82Å; F174-I208 HydrophobicContact CD1-CB 4.49Å; F174-I208 HydrophobicContact CD1-CG1 3.63Å; F174-I208 HydrophobicContact CD2-CD1 4.34Å; F174-I208 HydrophobicContact CD2-CG1 3.55Å; F174-I208 HydrophobicContact CE1-CG1 4.04Å; F174-I208 HydrophobicContact CE2-CG1 3.94Å; F174-I208 HydrophobicContact CG-CD1 4.2Å; F174-I208 HydrophobicContact CG-CG1 3.38Å; F174-I208 HydrophobicContact CZ-CG1 4.18Å; G204-I208 WeakPolarHBondContact O-CD1 3.19Å; G204-I208 VanDerWaalsContact O-CG1 3.25Å; G204-I208 WeakPolarHBondContact O-CG1 3.48Å; G204-I208 PolarHBondContact O-N 3.41Å; G204-I208 VanDerWaalsContact O-N 3.07Å; L205-I208 PolarHBondContact O-N 3.49Å; D206-I208 PolarHBondContact O-N 2.93Å; I208-H210 VanDerWaalsContact C-N 3.3Å; I208-H210 PolarHBondContact O-N 3.03Å; I208-I211 PolarHBondContact O-N 3.35Å; I208-E212 HydrophobicContact CG2-CB 4.29Å; I208-E212 HydrophobicContact CG2-CG 4.39Å; I208-E212 PolarHBondContact O-N 3.3Å; I208-I219 HydrophobicContact CB-CD1 4Å; I208-I219 HydrophobicContact CG2-CD1 3.45Å; I208-I219 VanDerWaalsContact CG2-CD1 3.45Å; I208-I219 HydrophobicContact CG2-CG1 3.79Å; I208-K222 HydrophobicContact CD1-CB 3.45Å; I208-K222 VanDerWaalsContact CD1-CB 3.45Å; I208-K222 HydrophobicContact CD1-CD 4.44Å; I208-K222 HydrophobicContact CD1-CG 3.77Å
209G85.2Confident87.6Confident1 Ų117.4 Ų17.41%0.0111%0.106CC..Hα-helixtrans-54.1-44.3176.700000112.7L205 D206 H207 I211 G213 G262L205-G209 PolarHBondContact O-N 3.29Å; D206-G209 CarbonylContact O-C 3.55Å; D206-G209 VanDerWaalsContact O-CA 3.3Å; D206-G209 WeakPolarHBondContact O-CA 3.48Å; D206-G209 PolarHBondContact O-N 2.95Å; H207-G209 VanDerWaalsContact C-N 3.31Å; H207-G209 PolarHBondContact O-N 2.92Å; G209-I211 VanDerWaalsContact C-N 3.33Å; G209-I211 PolarHBondContact O-N 3.22Å; G209-G213 WeakPolarHBondContact O-CA 3.49Å; G209-G213 PolarHBondContact O-N 2.84Å; G209-G262 WeakPolarHBondContact O-CA 3.4Å
210H77.9Confident87.4Confident32 Ų3219 Ų1915%0.14812%0.117CC..Hα-helixtrans-63.7-32.4177.9-82.1-40.3000115.3V171 D206 H207 I208 G262 H264 K752V171-H210 HydrophobicContact CG1-CB 3.48Å; V171-H210 VanDerWaalsContact CG1-CB 3.48Å; D206-H210 PolarHBondContact O-N 3.27Å; D206-H210 IonicContact OD2-CD2 3.64Å; D206-H210 PolarHBondContact OD2-CD2 3.17Å; D206-H210 IonicContact OD2-NE2 3.64Å; D206-H210 PolarHBondContact OD2-NE2 2.7Å; H207-H210 PolarHBondContact O-N 3.23Å; I208-H210 VanDerWaalsContact C-N 3.3Å; I208-H210 PolarHBondContact O-N 3.03Å; H210-G262 VanDerWaalsContact CA-O 3.29Å; H210-G262 WeakPolarHBondContact CA-O 3.34Å; H210-G262 PolarHBondContact ND1-O 2.87Å; H210-H264 AromaticContact CE1-CD2 3.22Å; H210-H264 PolarHBondContact CE1-CD2 3.44Å; H210-H264 AromaticContact CE1-NE2 3.31Å; H210-H264 PolarHBondContact CE1-NE2 2.96Å; H210-H264 VanDerWaalsContact CE1-NE2 3.31Å; H210-H264 AromaticContact NE2-CD2 3.56Å; H210-H264 AromaticContact NE2-NE2 3.24Å; H210-H264 PolarHBondContact NE2-NE2 3.49Å; H210-K752 PolarHBondContact O-NZ 2.9Å
211I73.8Confident87.2Confident72 Ų7224.6 Ų24.637%0.36914%0.141SC..Hα-helixtrans-94.3-49.1-175.2-58.3-57.2000111.7V171 N172 F174 H207 I208 G209V171-I211 HydrophobicContact CG1-CD1 4.33Å; V171-I211 HydrophobicContact CG1-CG1 4.48Å; N172-I211 VanDerWaalsContact OD1-CD1 3.25Å; N172-I211 WeakPolarHBondContact OD1-CD1 3.31Å; F174-I211 HydrophobicContact CE1-CB 4.26Å; F174-I211 HydrophobicContact CE1-CG1 3.88Å; F174-I211 HydrophobicContact CZ-CB 3.79Å; F174-I211 HydrophobicContact CZ-CG1 3.85Å; F174-I211 HydrophobicContact CZ-CG2 4.05Å; H207-I211 WeakPolarHBondContact O-CG1 3.14Å; H207-I211 PolarHBondContact O-N 3.05Å; I208-I211 PolarHBondContact O-N 3.35Å; G209-I211 VanDerWaalsContact C-N 3.33Å; G209-I211 PolarHBondContact O-N 3.22Å
212E77Confident87.1Confident59 Ų5924.7 Ų24.728%0.27614%0.141SC..Hα-helixtrans-106-10.3-173.2-57.5-172.5-163.700114.1I208 G216 S217 S218I208-E212 HydrophobicContact CG2-CB 4.29Å; I208-E212 HydrophobicContact CG2-CG 4.39Å; I208-E212 PolarHBondContact O-N 3.3Å; E212-G216 VanDerWaalsContact CB-CA 3.5Å; E212-G216 VanDerWaalsContact OE2-C 3.23Å; E212-G216 VanDerWaalsContact OE2-CA 3.29Å; E212-G216 WeakPolarHBondContact OE2-CA 3.23Å; E212-S217 PolarHBondContact OE2-N 2.75Å; E212-S217 PolarHBondContact OE2-OG 2.98Å; E212-S218 VanDerWaalsContact OE1-CB 3.23Å; E212-S218 WeakPolarHBondContact OE1-CB 3.33Å; E212-S218 PolarHBondContact OE1-OG 2.89Å; E212-S218 WeakPolarHBondContact OE2-CB 3.4Å; E212-S218 PolarHBondContact OE2-N 3.49Å; E212-S218 PolarHBondContact OE2-OG 3.24Å
213G79.6Confident87Confident8 Ų824.7 Ų24.78%0.08214%0.141CC..  trans73.1176-17100000113.3G209 S215 G216G209-G213 WeakPolarHBondContact O-CA 3.49Å; G209-G213 PolarHBondContact O-N 2.84Å; G213-S215 PolarHBondContact O-N 2.89Å; G213-G216 PolarHBondContact O-N 3.22Å
214P85.2Confident87.2Confident3 Ų329.8 Ų29.82%0.01916%0.16CC..THydrogen-bonded Turntrans-69.9-15.5-176.427.1-33.9000113.9F66 Y72 I258 S259 D260F66-P214 HydrophobicContact CE1-CB 3.75Å; F66-P214 HydrophobicContact CZ-CB 3.54Å; Y72-P214 WeakPolarHBondContact CE1-O 3.45Å; Y72-P214 VanDerWaalsContact CZ-O 3.31Å; Y72-P214 PolarHBondContact OH-O 3.02Å; P214-I258 HydrophobicContact CB-CG2 4.3Å; P214-S259 WeakPolarHBondContact CD-O 3.01Å; P214-D260 WeakPolarHBondContact CD-O 3.47Å
215S83.7Confident87.4Confident85 Ų8532.2 Ų32.259%0.59417%0.172SC*.THydrogen-bonded Turntrans-99.514.9171.9-64.80000112.8K71 Y72 G213K71-S215 PolarHBondContact NZ-OG 2.73Å; Y72-S215 PolarHBondContact OH-OG 3.41Å; G213-S215 PolarHBondContact O-N 2.89Å
216G82.4Confident87.5Confident8 Ų832.2 Ų32.28%0.08217%0.172CC..  trans-55.7147.8175.600000113.2E212 G213 S218 I219 P220E212-G216 VanDerWaalsContact CB-CA 3.5Å; E212-G216 VanDerWaalsContact OE2-C 3.23Å; E212-G216 VanDerWaalsContact OE2-CA 3.29Å; E212-G216 WeakPolarHBondContact OE2-CA 3.23Å; G213-G216 PolarHBondContact O-N 3.22Å; G216-S218 PolarHBondContact O-N 3.04Å; G216-I219 WeakPolarHBondContact O-CB 3.35Å; G216-I219 PolarHBondContact O-N 3.21Å; G216-P220 WeakPolarHBondContact O-CD 3.49Å
217S85.5Confident87.8Confident68 Ų6832 Ų3248%0.47617%0.171SC..THydrogen-bonded Turntrans-66.2-23.5178.666.60000113.3E212E212-S217 PolarHBondContact OE2-N 2.75Å; E212-S217 PolarHBondContact OE2-OG 2.98Å
218S88.1Confident88.3Confident10 Ų1035.5 Ų35.57%0.0719%0.187CC..THydrogen-bonded Turntrans-84.3-20.4177.8-60.30000113E212 G216 K221 K222E212-S218 VanDerWaalsContact OE1-CB 3.23Å; E212-S218 WeakPolarHBondContact OE1-CB 3.33Å; E212-S218 PolarHBondContact OE1-OG 2.89Å; E212-S218 WeakPolarHBondContact OE2-CB 3.4Å; E212-S218 PolarHBondContact OE2-N 3.49Å; E212-S218 PolarHBondContact OE2-OG 3.24Å; G216-S218 PolarHBondContact O-N 3.04Å; S218-K221 WeakPolarHBondContact O-CB 3.35Å; S218-K221 PolarHBondContact O-N 2.91Å; S218-K221 VanDerWaalsContact O-N 3.14Å; S218-K222 PolarHBondContact O-N 3.45Å
219I91.4Very high88.8Confident0 Ų035.8 Ų35.80%019%0.189CC..Hα-helixtrans-56.9-50-180-63.5-70.3000112F66 Y72 L205 I208 G216 K221 K222 I223F66-I219 HydrophobicContact CD1-CG2 4.47Å; F66-I219 HydrophobicContact CE1-CG2 4.09Å; F66-I219 HydrophobicContact CZ-CD1 4.44Å; F66-I219 HydrophobicContact CZ-CG2 4.31Å; Y72-I219 HydrophobicContact CD1-CG2 4.14Å; Y72-I219 HydrophobicContact CE1-CG2 3.95Å; L205-I219 HydrophobicContact CD1-CD1 3.71Å; L205-I219 HydrophobicContact CD1-CG2 4.44Å; I208-I219 HydrophobicContact CB-CD1 4Å; I208-I219 HydrophobicContact CG2-CD1 3.45Å; I208-I219 VanDerWaalsContact CG2-CD1 3.45Å; I208-I219 HydrophobicContact CG2-CG1 3.79Å; G216-I219 WeakPolarHBondContact O-CB 3.35Å; G216-I219 PolarHBondContact O-N 3.21Å; I219-K221 VanDerWaalsContact C-N 3.29Å; I219-K221 PolarHBondContact O-N 2.86Å; I219-K222 PolarHBondContact O-N 3.11Å; I219-I223 HydrophobicContact CG2-CD1 3.79Å; I219-I223 HydrophobicContact CG2-CG1 4.38Å; I219-I223 WeakPolarHBondContact O-CG1 3.38Å; I219-I223 PolarHBondContact O-N 3Å
220P93.6Very high89.3Confident34 Ų3435.8 Ų35.822%0.22119%0.188CC..Hα-helixtrans-60.8-34.9177.3-25.936.1000113.9G216 R224G216-P220 WeakPolarHBondContact O-CD 3.49Å; P220-R224 WeakPolarHBondContact O-CG 3.46Å; P220-R224 PolarHBondContact O-N 3.17Å; P220-R224 VanDerWaalsContact O-N 3.15Å
221K93.1Very high90.1Very high117 Ų11736.3 Ų36.351%0.50919%0.191SC..Hα-helixtrans-68-46.2177.7-67.9176.3-178.81750110.6S218 I219 I223 R224 E225S218-K221 WeakPolarHBondContact O-CB 3.35Å; S218-K221 PolarHBondContact O-N 2.91Å; S218-K221 VanDerWaalsContact O-N 3.14Å; I219-K221 VanDerWaalsContact C-N 3.29Å; I219-K221 PolarHBondContact O-N 2.86Å; K221-I223 VanDerWaalsContact C-N 3.34Å; K221-R224 PolarHBondContact O-N 3.09Å; K221-E225 PolarHBondContact O-N 2.77Å
222K94.6Very high91Very high2 Ų239.6 Ų39.61%0.00920%0.199CC..Hα-helixtrans-63.3-39.5176.8179.256.460.5175.20112.2F174 D178 L205 I208 S218 I219 R224 E225 M226F174-K222 WeakPolarHBondContact O-CE 3.47Å; F174-K222 PolarHBondContact O-NZ 2.94Å; D178-K222 WeakPolarHBondContact OD2-CD 3.32Å; D178-K222 WeakPolarHBondContact OD2-CE 3.49Å; D178-K222 IonicContact OD2-NZ 2.7Å; D178-K222 PolarHBondContact OD2-NZ 3.33Å; L205-K222 HydrophobicContact CB-CG 4.25Å; L205-K222 HydrophobicContact CD1-CG 4.12Å; I208-K222 HydrophobicContact CD1-CB 3.45Å; I208-K222 VanDerWaalsContact CD1-CB 3.45Å; I208-K222 HydrophobicContact CD1-CD 4.44Å; I208-K222 HydrophobicContact CD1-CG 3.77Å; S218-K222 PolarHBondContact O-N 3.45Å; I219-K222 PolarHBondContact O-N 3.11Å; K222-R224 VanDerWaalsContact C-N 3.34Å; K222-R224 PolarHBondContact O-N 3.11Å; K222-E225 VanDerWaalsContact CE-OE2 3.3Å; K222-E225 WeakPolarHBondContact CE-OE2 3.29Å; K222-E225 IonicContact NZ-OE1 3.65Å; K222-E225 PolarHBondContact NZ-OE1 3.11Å; K222-E225 IonicContact NZ-OE2 3.18Å; K222-E225 PolarHBondContact NZ-OE2 2.83Å; K222-E225 WeakPolarHBondContact O-CB 3.33Å; K222-E225 PolarHBondContact O-N 3.17Å; K222-M226 HydrophobicContact CD-CE 4.22Å; K222-M226 HydrophobicContact CD-CG 4.39Å; K222-M226 WeakPolarHBondContact O-CG 3.41Å; K222-M226 PolarHBondContact O-N 2.95Å
223I95.8Very high91.8Very high1 Ų136.8 Ų36.81%0.00519%0.186CC..Hα-helixtrans-58.8-46.1173.4-74.3171.7000111.1F66 Y72 N75 W76 I219 K221 E225 M226 D227F66-I223 HydrophobicContact CB-CD1 4.37Å; Y72-I223 HydrophobicContact CD1-CD1 4.02Å; Y72-I223 HydrophobicContact CG-CD1 4.43Å; N75-I223 HydrophobicContact CB-CB 4.09Å; N75-I223 HydrophobicContact CB-CG2 3.47Å; N75-I223 VanDerWaalsContact CB-CG2 3.47Å; W76-I223 HydrophobicContact CD2-CG2 3.73Å; W76-I223 VanDerWaalsContact CE2-CG2 3.42Å; W76-I223 HydrophobicContact CG-CG2 3.83Å; W76-I223 HydrophobicContact CZ2-CG2 3.98Å; W76-I223 VanDerWaalsContact NE1-CG2 3.27Å; I219-I223 HydrophobicContact CG2-CD1 3.79Å; I219-I223 HydrophobicContact CG2-CG1 4.38Å; I219-I223 WeakPolarHBondContact O-CG1 3.38Å; I219-I223 PolarHBondContact O-N 3Å; K221-I223 VanDerWaalsContact C-N 3.34Å; I223-E225 VanDerWaalsContact C-N 3.3Å; I223-E225 PolarHBondContact O-N 3.37Å; I223-M226 PolarHBondContact O-N 3.04Å; I223-D227 PolarHBondContact O-N 2.61Å
224R96.4Very high92.5Very high109 Ų10936.4 Ų36.441%0.41118%0.182SC..Hα-helixtrans-62.9-37.2176.8-73.7-174.2-64.5-95.34.1112.6N75 P220 K221 K222 D227 E228N75-R224 HydrophobicContact CB-CG 4.02Å; N75-R224 WeakPolarHBondContact O-CG 3.42Å; N75-R224 PolarHBondContact OD1-NH1 2.66Å; P220-R224 WeakPolarHBondContact O-CG 3.46Å; P220-R224 PolarHBondContact O-N 3.17Å; P220-R224 VanDerWaalsContact O-N 3.15Å; K221-R224 PolarHBondContact O-N 3.09Å; K222-R224 VanDerWaalsContact C-N 3.34Å; K222-R224 PolarHBondContact O-N 3.11Å; R224-D227 WeakPolarHBondContact O-CB 3.32Å; R224-D227 PolarHBondContact O-N 3.04Å; R224-E228 WeakPolarHBondContact O-CG 3.47Å; R224-E228 PolarHBondContact O-N 3.06Å; R224-E228 VanDerWaalsContact O-N 3.11Å
225E95.6Very high92.7Very high51 Ų5140.6 Ų40.624%0.23820%0.201CC..Hα-helixtrans-60.2-46.3173.4-173.4-169.1139.700111.2K221 K222 I223 D227 E228 V229K221-E225 PolarHBondContact O-N 2.77Å; K222-E225 VanDerWaalsContact CE-OE2 3.3Å; K222-E225 WeakPolarHBondContact CE-OE2 3.29Å; K222-E225 IonicContact NZ-OE1 3.65Å; K222-E225 PolarHBondContact NZ-OE1 3.11Å; K222-E225 IonicContact NZ-OE2 3.18Å; K222-E225 PolarHBondContact NZ-OE2 2.83Å; K222-E225 WeakPolarHBondContact O-CB 3.33Å; K222-E225 PolarHBondContact O-N 3.17Å; I223-E225 VanDerWaalsContact C-N 3.3Å; I223-E225 PolarHBondContact O-N 3.37Å; E225-D227 PolarHBondContact O-N 3.21Å; E225-E228 WeakPolarHBondContact O-CB 3.25Å; E225-E228 PolarHBondContact O-N 2.91Å; E225-V229 WeakPolarHBondContact O-CG2 3.39Å; E225-V229 PolarHBondContact O-N 3Å; E225-V229 VanDerWaalsContact O-N 3.13Å
226M96.7Very high92.9Very high4 Ų438 Ų382%0.0218%0.182CC..Hα-helixtrans-67.2-33.9176.4-64.5-61102.600112.6V59 W76 D178 Y202 K222 I223 E228 V229 I230V59-M226 HydrophobicContact CG2-SD 4.49Å; W76-M226 HydrophobicContact CH2-CB 3.49Å; W76-M226 VanDerWaalsContact CH2-CB 3.49Å; W76-M226 HydrophobicContact CZ2-CB 4.37Å; W76-M226 HydrophobicContact CZ3-CB 4.01Å; D178-M226 HydrophobicContact CB-CE 4.27Å; Y202-M226 HydrophobicContact CD1-CE 3.8Å; Y202-M226 HydrophobicContact CD1-SD 3.75Å; Y202-M226 HydrophobicContact CD2-SD 4.25Å; Y202-M226 HydrophobicContact CE1-CE 4.02Å; Y202-M226 HydrophobicContact CE1-SD 4.21Å; Y202-M226 HydrophobicContact CG-CE 4.42Å; Y202-M226 HydrophobicContact CG-SD 3.75Å; K222-M226 HydrophobicContact CD-CE 4.22Å; K222-M226 HydrophobicContact CD-CG 4.39Å; K222-M226 WeakPolarHBondContact O-CG 3.41Å; K222-M226 PolarHBondContact O-N 2.95Å; I223-M226 PolarHBondContact O-N 3.04Å; M226-E228 VanDerWaalsContact C-N 3.32Å; M226-E228 PolarHBondContact O-N 2.8Å; M226-V229 HydrophobicContact CE-CG2 4.24Å; M226-V229 WeakPolarHBondContact O-CB 3.49Å; M226-V229 PolarHBondContact O-N 3Å; M226-I230 WeakPolarHBondContact O-CB 3.37Å; M226-I230 WeakPolarHBondContact O-CD1 3.32Å; M226-I230 VanDerWaalsContact O-CG1 3.32Å; M226-I230 WeakPolarHBondContact O-CG1 3.21Å; M226-I230 PolarHBondContact O-N 3.06Å
227D97.4Very high93.3Very high4 Ų437.7 Ų37.72%0.02118%0.178CC..Hα-helixtrans-59.4-42.6173.9-167.847.1000111.5W76 V77 K78 L79 I223 R224 E225 H231W76-D227 HydrophobicContact CD2-CB 4.5Å; W76-D227 HydrophobicContact CE3-CB 3.6Å; W76-D227 VanDerWaalsContact CZ3-CA 3.45Å; W76-D227 HydrophobicContact CZ3-CB 3.93Å; W76-D227 VanDerWaalsContact CZ3-N 3.31Å; V77-D227 PolarHBondContact N-OD2 3.25Å; K78-D227 PolarHBondContact N-OD1 2.9Å; K78-D227 PolarHBondContact N-OD2 3.04Å; L79-D227 VanDerWaalsContact CB-OD1 3.29Å; L79-D227 WeakPolarHBondContact CB-OD1 3.41Å; L79-D227 PolarHBondContact N-OD1 3.37Å; I223-D227 PolarHBondContact O-N 2.61Å; R224-D227 WeakPolarHBondContact O-CB 3.32Å; R224-D227 PolarHBondContact O-N 3.04Å; E225-D227 PolarHBondContact O-N 3.21Å; D227-H231 VanDerWaalsContact O-CB 3.26Å; D227-H231 WeakPolarHBondContact O-CB 3.44Å; D227-H231 PolarHBondContact O-N 3.32Å
228E95.9Very high93.5Very high76 Ų7637.9 Ų37.936%0.35517%0.172SC..Hα-helixtrans-64.3-45.3174.4-70-62.114400112.6K78 R224 E225 M226 H231 R232K78-E228 WeakPolarHBondContact CE-OE1 3.46Å; K78-E228 IonicContact NZ-OE1 3.29Å; K78-E228 PolarHBondContact NZ-OE1 3.07Å; K78-E228 IonicContact NZ-OE2 3.42Å; K78-E228 PolarHBondContact NZ-OE2 3.03Å; R224-E228 WeakPolarHBondContact O-CG 3.47Å; R224-E228 PolarHBondContact O-N 3.06Å; R224-E228 VanDerWaalsContact O-N 3.11Å; E225-E228 WeakPolarHBondContact O-CB 3.25Å; E225-E228 PolarHBondContact O-N 2.91Å; M226-E228 VanDerWaalsContact C-N 3.32Å; M226-E228 PolarHBondContact O-N 2.8Å; E228-H231 PolarHBondContact O-N 3.42Å; E228-R232 WeakPolarHBondContact O-CG 3.48Å; E228-R232 PolarHBondContact O-N 3.12Å; E228-R232 VanDerWaalsContact O-N 3.08Å
229V95.2Very high93.5Very high7 Ų742.9 Ų42.94%0.04220%0.198CC..Hα-helixtrans-58.3-51.8177.4165.20000110.8T182 I185 Y202 E225 M226 H231 R232 I233T182-V229 HydrophobicContact CG2-CG2 3.84Å; I185-V229 HydrophobicContact CD1-CG1 3.67Å; Y202-V229 HydrophobicContact CE2-CG1 4.09Å; Y202-V229 WeakPolarHBondContact OH-CG1 3.25Å; E225-V229 WeakPolarHBondContact O-CG2 3.39Å; E225-V229 PolarHBondContact O-N 3Å; E225-V229 VanDerWaalsContact O-N 3.13Å; M226-V229 HydrophobicContact CE-CG2 4.24Å; M226-V229 WeakPolarHBondContact O-CB 3.49Å; M226-V229 PolarHBondContact O-N 3Å; V229-H231 VanDerWaalsContact C-N 3.35Å; V229-H231 PolarHBondContact O-N 2.85Å; V229-R232 PolarHBondContact O-N 3.29Å; V229-I233 HydrophobicContact CG1-CD1 4.11Å; V229-I233 WeakPolarHBondContact O-CG1 3.45Å; V229-I233 PolarHBondContact O-N 2.83Å
230I96Very high93.2Very high1 Ų144 Ų441%0.00521%0.206CC..Hα-helixtrans-65.5-40.6-177.6-70.9158.3000110.7W76 L79 M226 R232 I233 L234 F250 L252W76-I230 HydrophobicContact CH2-CD1 3.61Å; W76-I230 HydrophobicContact CZ3-CD1 3.4Å; W76-I230 VanDerWaalsContact CZ3-CD1 3.4Å; L79-I230 HydrophobicContact CD1-CG2 3.91Å; M226-I230 WeakPolarHBondContact O-CB 3.37Å; M226-I230 WeakPolarHBondContact O-CD1 3.32Å; M226-I230 VanDerWaalsContact O-CG1 3.32Å; M226-I230 WeakPolarHBondContact O-CG1 3.21Å; M226-I230 PolarHBondContact O-N 3.06Å; I230-R232 PolarHBondContact O-N 2.89Å; I230-I233 PolarHBondContact O-N 2.88Å; I230-L234 HydrophobicContact CG2-CD1 3.87Å; I230-L234 HydrophobicContact CG2-CG 4.3Å; I230-L234 WeakPolarHBondContact O-CG 3.29Å; I230-L234 PolarHBondContact O-N 3.49Å; I230-F250 HydrophobicContact CB-CZ 4.46Å; I230-F250 HydrophobicContact CG1-CZ 4.19Å; I230-F250 HydrophobicContact CG2-CE1 3.97Å; I230-F250 HydrophobicContact CG2-CZ 3.67Å; I230-L252 HydrophobicContact CD1-CD1 3.85Å; I230-L252 HydrophobicContact CD1-CD2 3.55Å; I230-L252 HydrophobicContact CD1-CG 4.29Å
231H95.2Very high92.8Very high44 Ų4447.2 Ų47.220%0.20423%0.229CC..Hα-helixtrans-59.6-44.6176.1179.276.9000112.4K78 Y82 D227 E228 V229 I233 L234 E235K78-H231 HydrophobicContact CB-CB 3.97Å; K78-H231 HydrophobicContact CD-CB 3.56Å; K78-H231 HydrophobicContact CG-CB 4.43Å; Y82-H231 AromaticContact CE2-ND1 3.65Å; Y82-H231 AromaticContact CZ-ND1 3.76Å; Y82-H231 PolarHBondContact OH-CE1 3.15Å; Y82-H231 PolarHBondContact OH-ND1 2.01Å; Y82-H231 VanDerWaalsContact OH-ND1 3.09Å; D227-H231 VanDerWaalsContact O-CB 3.26Å; D227-H231 WeakPolarHBondContact O-CB 3.44Å; D227-H231 PolarHBondContact O-N 3.32Å; E228-H231 PolarHBondContact O-N 3.42Å; V229-H231 VanDerWaalsContact C-N 3.35Å; V229-H231 PolarHBondContact O-N 2.85Å; H231-I233 VanDerWaalsContact C-N 3.28Å; H231-I233 PolarHBondContact O-N 2.97Å; H231-L234 PolarHBondContact O-N 2.9Å; H231-E235 WeakPolarHBondContact O-CB 3.41Å; H231-E235 PolarHBondContact O-N 3.05Å
232R93.2Very high92.2Very high141 Ų14143.7 Ų43.753%0.53222%0.219SC..Hα-helixtrans-61-37.9177.1-71.8174.9-175.6-156.11.3112.3E228 V229 I230 V236E228-R232 WeakPolarHBondContact O-CG 3.48Å; E228-R232 PolarHBondContact O-N 3.12Å; E228-R232 VanDerWaalsContact O-N 3.08Å; V229-R232 PolarHBondContact O-N 3.29Å; I230-R232 PolarHBondContact O-N 2.89Å; R232-V236 VanDerWaalsContact O-CG2 3.3Å; R232-V236 WeakPolarHBondContact O-CG2 2.98Å; R232-V236 PolarHBondContact O-N 2.96Å
233I93.9Very high91.7Very high0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-65.1-50176.6-67165.1000110.6V55 V57 I185 M189 L200 V229 I230 H231 E235 V236 L237 F250V55-I233 HydrophobicContact CG1-CG2 3.95Å; V57-I233 HydrophobicContact CG2-CD1 3.93Å; I185-I233 HydrophobicContact CD1-CD1 4.1Å; I185-I233 HydrophobicContact CD1-CG1 4.22Å; I185-I233 HydrophobicContact CG2-CG1 4.26Å; M189-I233 HydrophobicContact CE-CB 3.88Å; M189-I233 HydrophobicContact CE-CG1 3.64Å; M189-I233 HydrophobicContact CE-CG2 3.91Å; L200-I233 HydrophobicContact CD1-CD1 3.61Å; V229-I233 HydrophobicContact CG1-CD1 4.11Å; V229-I233 WeakPolarHBondContact O-CG1 3.45Å; V229-I233 PolarHBondContact O-N 2.83Å; I230-I233 PolarHBondContact O-N 2.88Å; H231-I233 VanDerWaalsContact C-N 3.28Å; H231-I233 PolarHBondContact O-N 2.97Å; I233-E235 PolarHBondContact O-N 3.03Å; I233-V236 PolarHBondContact O-N 2.77Å; I233-L237 HydrophobicContact CG2-CD1 4.19Å; I233-L237 WeakPolarHBondContact O-CG 3.5Å; I233-L237 PolarHBondContact O-N 2.64Å; I233-L237 VanDerWaalsContact O-N 3.11Å; I233-F250 HydrophobicContact CB-CE2 4.43Å; I233-F250 HydrophobicContact CG2-CD2 3.84Å; I233-F250 HydrophobicContact CG2-CE2 3.74Å
234L92.9Very high91Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-65-39.7-178.8-70.2177.9000112.5Y82 I230 H231 V236 L237 M238 F250 F279Y82-L234 HydrophobicContact CD1-CD1 4.36Å; Y82-L234 HydrophobicContact CD2-CD1 3.35Å; Y82-L234 HydrophobicContact CE1-CB 4.44Å; Y82-L234 HydrophobicContact CE2-CB 4.05Å; Y82-L234 HydrophobicContact CE2-CD1 3.52Å; Y82-L234 HydrophobicContact CE2-CG 4.44Å; Y82-L234 HydrophobicContact CG-CD1 3.8Å; I230-L234 HydrophobicContact CG2-CD1 3.87Å; I230-L234 HydrophobicContact CG2-CG 4.3Å; I230-L234 WeakPolarHBondContact O-CG 3.29Å; I230-L234 PolarHBondContact O-N 3.49Å; H231-L234 PolarHBondContact O-N 2.9Å; L234-V236 VanDerWaalsContact C-N 3.27Å; L234-V236 PolarHBondContact O-N 3.31Å; L234-L237 HydrophobicContact CD2-CD1 4.31Å; L234-L237 PolarHBondContact O-N 2.92Å; L234-M238 WeakPolarHBondContact O-CB 3.3Å; L234-M238 VanDerWaalsContact O-CG 3.3Å; L234-M238 WeakPolarHBondContact O-CG 3.24Å; L234-M238 PolarHBondContact O-N 2.85Å; L234-F250 HydrophobicContact CD2-CB 3.8Å; L234-F250 HydrophobicContact CD2-CD1 3.83Å; L234-F250 HydrophobicContact CD2-CD2 3.97Å; L234-F250 HydrophobicContact CD2-CE1 4.4Å; L234-F250 HydrophobicContact CD2-CG 3.58Å; L234-F279 HydrophobicContact CD2-CD1 3.73Å; L234-F279 HydrophobicContact CD2-CE1 4.39Å
235E90.7Very high90.4Very high91 Ų9147.7 Ų47.743%0.42525%0.254SS..Hα-helixtrans-58-41.3176.8-170.9-178-171.500111.3H231 I233 M238 N239H231-E235 WeakPolarHBondContact O-CB 3.41Å; H231-E235 PolarHBondContact O-N 3.05Å; I233-E235 PolarHBondContact O-N 3.03Å; E235-M238 PolarHBondContact O-N 3.49Å; E235-N239 WeakPolarHBondContact CG-ND2 3.33Å; E235-N239 WeakPolarHBondContact O-CB 3.48Å; E235-N239 PolarHBondContact O-N 3.37Å; E235-N239 PolarHBondContact O-ND2 3.03Å
236V88.3Confident90.1Very high31 Ų3148.2 Ų48.219%0.18826%0.256CS..Hα-helixtrans-71.6-42.1178.6176.70000111.5M189 R232 I233 L234 M238 S240 I243M189-V236 HydrophobicContact CB-CB 4.25Å; M189-V236 HydrophobicContact CB-CG1 3.89Å; M189-V236 HydrophobicContact CB-CG2 3.68Å; M189-V236 HydrophobicContact CE-CB 4.5Å; M189-V236 HydrophobicContact CG-CB 4.06Å; M189-V236 HydrophobicContact CG-CG1 4.05Å; M189-V236 HydrophobicContact CG-CG2 3.69Å; M189-V236 HydrophobicContact SD-CB 3.4Å; M189-V236 WeakPolarHBondContact SD-CB 3.45Å; M189-V236 HydrophobicContact SD-CG1 3.3Å; M189-V236 WeakPolarHBondContact SD-CG1 2.96Å; M189-V236 HydrophobicContact SD-CG2 3.74Å; R232-V236 VanDerWaalsContact O-CG2 3.3Å; R232-V236 WeakPolarHBondContact O-CG2 2.98Å; R232-V236 PolarHBondContact O-N 2.96Å; I233-V236 PolarHBondContact O-N 2.77Å; L234-V236 VanDerWaalsContact C-N 3.27Å; L234-V236 PolarHBondContact O-N 3.31Å; V236-M238 VanDerWaalsContact C-N 3.26Å; V236-M238 PolarHBondContact O-N 3.2Å; V236-S240 WeakPolarHBondContact O-CB 3.38Å; V236-S240 PolarHBondContact O-N 2.79Å; V236-I243 HydrophobicContact CG1-CD1 4.41Å
237L90.8Very high89.8Confident0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-59.2-39176-70.1175.5000111.9V55 W195 I233 L234 I243 W248 F250V55-L237 HydrophobicContact CG2-CD1 4.12Å; V55-L237 HydrophobicContact CG2-CD2 4.07Å; W195-L237 HydrophobicContact CH2-CD2 4.23Å; I233-L237 HydrophobicContact CG2-CD1 4.19Å; I233-L237 WeakPolarHBondContact O-CG 3.5Å; I233-L237 PolarHBondContact O-N 2.64Å; I233-L237 VanDerWaalsContact O-N 3.11Å; L234-L237 HydrophobicContact CD2-CD1 4.31Å; L234-L237 PolarHBondContact O-N 2.92Å; L237-I243 HydrophobicContact CD2-CD1 4.39Å; L237-I243 HydrophobicContact CD2-CG2 3.99Å; L237-W248 HydrophobicContact CB-CD2 4.09Å; L237-W248 HydrophobicContact CB-CE3 4.3Å; L237-W248 HydrophobicContact CB-CH2 4.5Å; L237-W248 HydrophobicContact CB-CZ2 4.24Å; L237-W248 HydrophobicContact CD1-CE3 4.11Å; L237-W248 HydrophobicContact CD1-CZ3 4.45Å; L237-W248 HydrophobicContact CD2-CG 4.46Å; L237-W248 PolarHBondContact O-NE1 2.89Å; L237-W248 VanDerWaalsContact O-NE1 3.09Å; L237-F250 HydrophobicContact CD1-CB 4.11Å; L237-F250 HydrophobicContact CD1-CD2 4.34Å
238M88.9Confident89.6Confident73 Ų7350.2 Ų50.236%0.3627%0.266SS..Hα-helixtrans-80.7-39.3-177.8-68.1176.365.600113.5Y82 L234 E235 V236 W248 F279Y82-M238 HydrophobicContact CD1-SD 4.28Å; Y82-M238 HydrophobicContact CE1-CE 4.49Å; Y82-M238 HydrophobicContact CE1-SD 3.66Å; L234-M238 WeakPolarHBondContact O-CB 3.3Å; L234-M238 VanDerWaalsContact O-CG 3.3Å; L234-M238 WeakPolarHBondContact O-CG 3.24Å; L234-M238 PolarHBondContact O-N 2.85Å; E235-M238 PolarHBondContact O-N 3.49Å; V236-M238 VanDerWaalsContact C-N 3.26Å; V236-M238 PolarHBondContact O-N 3.2Å; M238-W248 HydrophobicContact CG-CH2 4.04Å; M238-W248 HydrophobicContact CG-CZ2 3.87Å; M238-F279 HydrophobicContact CG-CE1 4.31Å; M238-F279 HydrophobicContact SD-CE1 3.8Å; M238-F279 HydrophobicContact SD-CZ 4.19Å
239N87.8Confident89.6Confident115 Ų11546.7 Ų46.762%0.61525%0.249SC*.Hα-helixtrans-104.9-16.8-167.8-61.4-29.4000114.2E235 S241E235-N239 WeakPolarHBondContact CG-ND2 3.33Å; E235-N239 WeakPolarHBondContact O-CB 3.48Å; E235-N239 PolarHBondContact O-N 3.37Å; E235-N239 PolarHBondContact O-ND2 3.03Å; N239-S241 PolarHBondContact O-N 3.35Å
240S86.3Confident89.6Confident24 Ų2446.3 Ų46.317%0.16825%0.247CC..  trans-70.5123.1180-179.40000111.1V236 S242 I243 A244V236-S240 WeakPolarHBondContact O-CB 3.38Å; V236-S240 PolarHBondContact O-N 2.79Å; S240-S242 PolarHBondContact O-N 3.31Å; S240-S242 VanDerWaalsContact O-N 3.17Å; S240-I243 PolarHBondContact O-N 2.88Å; S240-A244 VanDerWaalsContact O-CB 3.28Å; S240-A244 WeakPolarHBondContact O-CB 3.35Å; S240-A244 PolarHBondContact O-N 3.49Å
241S83.4Confident89.7Confident101 Ų10146.3 Ų46.371%0.70625%0.247SC*.THydrogen-bonded Turntrans-58-30.6-179.852.80000113.6N239 I243N239-S241 PolarHBondContact O-N 3.35Å; S241-I243 VanDerWaalsContact C-N 3.34Å
242S81.2Confident89.8Confident42 Ų4244.2 Ų44.229%0.29424%0.237SC..THydrogen-bonded Turntrans-74.6-19.1177.2-61.30000114.1S240 K246S240-S242 PolarHBondContact O-N 3.31Å; S240-S242 VanDerWaalsContact O-N 3.17Å; S242-K246 WeakPolarHBondContact O-CD 3.5Å; S242-K246 WeakPolarHBondContact O-CE 3.46Å; S242-K246 PolarHBondContact O-NZ 3.44Å
243I84.8Confident90Very high0 Ų037.5 Ų37.50%021%0.212CC..THydrogen-bonded Turntrans-114.3-35.5-175.4-62.4167.2000112.1P192 W195 V236 L237 S240 S241 N245 K246 W248P192-I243 HydrophobicContact CB-CD1 3.37Å; P192-I243 HydrophobicContact CB-CG1 3.72Å; P192-I243 HydrophobicContact CG-CD1 4.5Å; W195-I243 HydrophobicContact CZ2-CD1 4.33Å; V236-I243 HydrophobicContact CG1-CD1 4.41Å; L237-I243 HydrophobicContact CD2-CD1 4.39Å; L237-I243 HydrophobicContact CD2-CG2 3.99Å; S240-I243 PolarHBondContact O-N 2.88Å; S241-I243 VanDerWaalsContact C-N 3.34Å; I243-N245 PolarHBondContact O-N 2.95Å; I243-K246 WeakPolarHBondContact O-CA 3.34Å; I243-K246 WeakPolarHBondContact O-CB 3.4Å; I243-K246 PolarHBondContact O-N 3.19Å; I243-W248 VanDerWaalsContact CG2-CD1 3.49Å; I243-W248 HydrophobicContact CG2-CG 4.14Å
244A80.3Confident90.2Very high42 Ų4237.5 Ų37.535%0.34721%0.212SC..THydrogen-bonded Turntrans-57.3-29.3-170.700000113.8S240S240-A244 VanDerWaalsContact O-CB 3.28Å; S240-A244 WeakPolarHBondContact O-CB 3.35Å; S240-A244 PolarHBondContact O-N 3.49Å
245N84.5Confident90.3Very high154 Ų15437.5 Ų37.582%0.82421%0.212SC*.THydrogen-bonded Turntrans-88-0.3177.1-66.2-25.4000114.2I243I243-N245 PolarHBondContact O-N 2.95Å
246K88.3Confident90.5Very high62 Ų6233.1 Ų33.127%0.2719%0.192SC..SBendtrans-101.5158.4-178.7-64.9-177.1-178.8166.40111.3D52 K53 D193 S242 I243 W248 S281D52-K246 HydrophobicContact CB-CB 4Å; D52-K246 HydrophobicContact CB-CD 4.28Å; D52-K246 HydrophobicContact CB-CG 4.42Å; K53-K246 HydrophobicContact CG-CD 4.27Å; D193-K246 IonicContact OD1-NZ 2.65Å; S242-K246 WeakPolarHBondContact O-CD 3.5Å; S242-K246 WeakPolarHBondContact O-CE 3.46Å; S242-K246 PolarHBondContact O-NZ 3.44Å; I243-K246 WeakPolarHBondContact O-CA 3.34Å; I243-K246 WeakPolarHBondContact O-CB 3.4Å; I243-K246 PolarHBondContact O-N 3.19Å; K246-W248 PolarHBondContact O-N 3.18Å; K246-S281 PolarHBondContact O-OG 3.23Å; K246-S281 VanDerWaalsContact O-OG 3.1Å
247N90.9Very high90.7Very high39 Ų3931.7 Ų31.721%0.20918%0.183CC..  trans-78.6114.8172.7-65.6-8.8000108.7K50 I51 D52 K53 S281 N282K50-N247 WeakPolarHBondContact O-CB 3.25Å; K50-N247 PolarHBondContact O-ND2 3.16Å; I51-N247 WeakPolarHBondContact CG2-O 3.46Å; D52-N247 PolarHBondContact N-O 3.04Å; D52-N247 PolarHBondContact OD2-N 2.93Å; K53-N247 PolarHBondContact N-O 3.42Å; K53-N247 VanDerWaalsContact N-O 3.12Å; N247-S281 WeakPolarHBondContact CA-OG 3.39Å; N247-N282 PolarHBondContact OD1-ND2 3.09Å
248W93.3Very high90.6Very high12 Ų1231.7 Ų31.75%0.04518%0.183CC..EExtended strand (participates in β ladder)trans-129.3153.8179.758.2-105.4000112.9K53 L237 M238 I243 K246 F279 G280 S281K53-W248 HydrophobicContact CB-CB 3.94Å; K53-W248 WeakPolarHBondContact O-CA 3.48Å; K53-W248 WeakPolarHBondContact O-CB 3.47Å; L237-W248 HydrophobicContact CB-CD2 4.09Å; L237-W248 HydrophobicContact CB-CE3 4.3Å; L237-W248 HydrophobicContact CB-CH2 4.5Å; L237-W248 HydrophobicContact CB-CZ2 4.24Å; L237-W248 HydrophobicContact CD1-CE3 4.11Å; L237-W248 HydrophobicContact CD1-CZ3 4.45Å; L237-W248 HydrophobicContact CD2-CG 4.46Å; L237-W248 PolarHBondContact O-NE1 2.89Å; L237-W248 VanDerWaalsContact O-NE1 3.09Å; M238-W248 HydrophobicContact CG-CH2 4.04Å; M238-W248 HydrophobicContact CG-CZ2 3.87Å; I243-W248 VanDerWaalsContact CG2-CD1 3.49Å; I243-W248 HydrophobicContact CG2-CG 4.14Å; K246-W248 PolarHBondContact O-N 3.18Å; W248-F279 AromaticContact CH2-CD1 3.68Å; W248-F279 HydrophobicContact CH2-CD1 3.68Å; W248-F279 AromaticContact CH2-CE1 3.52Å; W248-F279 HydrophobicContact CH2-CE1 3.52Å; W248-F279 HydrophobicContact CH2-CZ 4.37Å; W248-F279 AromaticContact CZ3-CD1 3.69Å; W248-F279 HydrophobicContact CZ3-CD1 3.69Å; W248-F279 HydrophobicContact CZ3-CE1 4.04Å; W248-F279 HydrophobicContact CZ3-CG 4.49Å; W248-G280 VanDerWaalsContact O-CA 3.31Å; W248-G280 WeakPolarHBondContact O-CA 3.3Å; W248-S281 PolarHBondContact N-OG 3.43Å; W248-S281 PolarHBondContact O-N 2.84Å; W248-S281 VanDerWaalsContact O-N 3.17Å
249L94.9Very high90.3Very high1 Ų128.8 Ų28.81%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-134.5131.8174.917768.8000110.6I51 K53 V55 I251 M278 W283 I318 F339I51-L249 HydrophobicContact CD1-CB 3.5Å; I51-L249 HydrophobicContact CD1-CD2 3.95Å; I51-L249 HydrophobicContact CD1-CG 4.36Å; K53-L249 PolarHBondContact O-N 3.33Å; K53-L249 VanDerWaalsContact O-N 3.11Å; V55-L249 PolarHBondContact N-O 2.97Å; L249-I251 HydrophobicContact CD2-CD1 3.91Å; L249-I251 HydrophobicContact CD2-CG1 3.96Å; L249-I251 HydrophobicContact CG-CD1 4.48Å; L249-I251 HydrophobicContact CG-CG1 3.98Å; L249-M278 HydrophobicContact CD1-CB 4.37Å; L249-M278 HydrophobicContact CD1-CE 4.11Å; L249-M278 HydrophobicContact CD2-CE 4.17Å; L249-W283 HydrophobicContact CD1-CH2 4.31Å; L249-W283 HydrophobicContact CD1-CZ2 3.6Å; L249-I318 HydrophobicContact CD2-CD1 3.42Å; L249-I318 VanDerWaalsContact CD2-CD1 3.42Å; L249-F339 HydrophobicContact CD1-CE1 4.33Å; L249-F339 HydrophobicContact CD1-CZ 3.96Å; L249-F339 HydrophobicContact CD2-CE1 4.19Å; L249-F339 HydrophobicContact CD2-CZ 3.84Å
250F96.2Very high90Very high0 Ų028.9 Ų28.90%017%0.17CC..EExtended strand (participates in β ladder)trans-105.2131.9168.6177.6-94.5000109.7V55 V57 I230 I233 L234 L237 L252 F277 M278 F279V55-F250 HydrophobicContact CB-CD2 4.11Å; V55-F250 HydrophobicContact CG1-CD2 4.01Å; V55-F250 HydrophobicContact CG1-CE2 4.25Å; V55-F250 CarbonylContact O-C 3.45Å; V55-F250 WeakPolarHBondContact O-CA 3.42Å; V57-F250 HydrophobicContact CB-CE2 4.43Å; V57-F250 HydrophobicContact CB-CZ 4.31Å; V57-F250 HydrophobicContact CG2-CE2 3.58Å; V57-F250 HydrophobicContact CG2-CZ 3.88Å; I230-F250 HydrophobicContact CB-CZ 4.46Å; I230-F250 HydrophobicContact CG1-CZ 4.19Å; I230-F250 HydrophobicContact CG2-CE1 3.97Å; I230-F250 HydrophobicContact CG2-CZ 3.67Å; I233-F250 HydrophobicContact CB-CE2 4.43Å; I233-F250 HydrophobicContact CG2-CD2 3.84Å; I233-F250 HydrophobicContact CG2-CE2 3.74Å; L234-F250 HydrophobicContact CD2-CB 3.8Å; L234-F250 HydrophobicContact CD2-CD1 3.83Å; L234-F250 HydrophobicContact CD2-CD2 3.97Å; L234-F250 HydrophobicContact CD2-CE1 4.4Å; L234-F250 HydrophobicContact CD2-CG 3.58Å; L237-F250 HydrophobicContact CD1-CB 4.11Å; L237-F250 HydrophobicContact CD1-CD2 4.34Å; F250-L252 HydrophobicContact CE1-CB 3.74Å; F250-L252 HydrophobicContact CZ-CB 4.12Å; F250-F277 HydrophobicContact CD1-CD1 4.12Å; F250-F277 AromaticContact CD1-CE1 3.96Å; F250-F277 HydrophobicContact CD1-CE1 3.96Å; F250-F277 AromaticContact CE1-CD1 3.96Å; F250-F277 HydrophobicContact CE1-CD1 3.96Å; F250-F277 HydrophobicContact CE1-CE1 4.03Å; F250-M278 CarbonylContact O-C 3.19Å; F250-M278 VanDerWaalsContact O-CA 3.28Å; F250-M278 WeakPolarHBondContact O-CA 3.3Å; F250-F279 HydrophobicContact CB-CB 4.5Å; F250-F279 PolarHBondContact N-O 3.3Å; F250-F279 PolarHBondContact O-N 3.24Å
251I97.5Very high89.2Confident0 Ų031.1 Ų31.10%018%0.177CC..EExtended strand (participates in β ladder)trans-123.5128.1173.3-58.8-173.9000108.7F54 V55 M56 V57 L249 L276 M278 L311 I315F54-I251 HydrophobicContact CE2-CB 4.42Å; F54-I251 HydrophobicContact CE2-CD1 3.6Å; F54-I251 HydrophobicContact CE2-CG1 3.86Å; F54-I251 HydrophobicContact CZ-CD1 4.11Å; V55-I251 PolarHBondContact O-N 3.44Å; M56-I251 WeakPolarHBondContact CA-O 3.45Å; M56-I251 HydrophobicContact CE-CD1 4.41Å; M56-I251 HydrophobicContact CE-CG2 4.21Å; V57-I251 PolarHBondContact N-O 2.98Å; L249-I251 HydrophobicContact CD2-CD1 3.91Å; L249-I251 HydrophobicContact CD2-CG1 3.96Å; L249-I251 HydrophobicContact CG-CD1 4.48Å; L249-I251 HydrophobicContact CG-CG1 3.98Å; I251-L276 HydrophobicContact CG2-CD1 3.72Å; I251-M278 HydrophobicContact CG1-CG 4.1Å; I251-M278 HydrophobicContact CG2-CG 4.38Å; I251-L311 HydrophobicContact CD1-CD2 4.25Å; I251-L311 HydrophobicContact CG2-CD2 4.49Å; I251-I315 HydrophobicContact CD1-CG1 4.47Å
252L98.2Very high88.7Confident0 Ų026.3 Ų26.30%014%0.144CC..EExtended strand (participates in β ladder)trans-114.3122.9166.7171.264.6000108.8V57 V59 L62 L67 L79 I230 F250 L276 F277V57-L252 HydrophobicContact CB-CD1 4.08Å; V57-L252 HydrophobicContact CG1-CD1 3.92Å; V57-L252 WeakPolarHBondContact O-CA 3.42Å; V59-L252 HydrophobicContact CG2-CD1 3.85Å; L62-L252 HydrophobicContact CD2-CD1 3.99Å; L62-L252 HydrophobicContact CD2-CG 4.06Å; L67-L252 HydrophobicContact CD1-CD2 4.35Å; L67-L252 HydrophobicContact CD2-CD2 4Å; L79-L252 HydrophobicContact CD2-CD2 3.76Å; I230-L252 HydrophobicContact CD1-CD1 3.85Å; I230-L252 HydrophobicContact CD1-CD2 3.55Å; I230-L252 HydrophobicContact CD1-CG 4.29Å; F250-L252 HydrophobicContact CE1-CB 3.74Å; F250-L252 HydrophobicContact CZ-CB 4.12Å; L252-L276 WeakPolarHBondContact O-CA 3.36Å; L252-F277 HydrophobicContact CB-CB 4.22Å; L252-F277 HydrophobicContact CB-CD1 4.21Å; L252-F277 PolarHBondContact N-O 2.83Å; L252-F277 PolarHBondContact O-N 3.17Å
253T97.9Very high88.5Confident0 Ų025.9 Ų25.90%014%0.141CC..EExtended strand (participates in β ladder)trans-143.6159.9178.2-170.40000112.4V57 V58 V59 G275 L311V57-T253 PolarHBondContact O-N 3.25Å; V58-T253 VanDerWaalsContact CA-O 3.31Å; V58-T253 WeakPolarHBondContact CA-O 3.33Å; V58-T253 HydrophobicContact CG2-CG2 4.21Å; V59-T253 PolarHBondContact N-O 3.17Å; T253-G275 VanDerWaalsContact CA-O 3.27Å; T253-G275 WeakPolarHBondContact CA-O 3.14Å; T253-L311 HydrophobicContact CG2-CD1 4.29Å
254G97.6Very high88.2Confident0 Ų026.7 Ų26.70%015%0.145CC..  trans-88.7149157.600000111.7V59 T274 G275V59-G254 WeakPolarHBondContact O-CA 3.46Å; G254-T274 PolarHBondContact O-OG1 2.86Å; G254-G275 PolarHBondContact N-O 2.98Å
255D95.1Very high87.9Confident0 Ų025 Ų250%013%0.13CC..SBendtrans-78.7-41.5167.167.3-31.6000111.3V58 D60 A61 T101 R104 I108 Q308V58-D255 HydrophobicContact CG1-CB 3.84Å; D60-D255 VanDerWaalsContact CA-OD1 3.32Å; D60-D255 WeakPolarHBondContact CA-OD1 3.45Å; A61-D255 PolarHBondContact N-OD1 2.02Å; T101-D255 VanDerWaalsContact CA-OD2 3.28Å; T101-D255 WeakPolarHBondContact CA-OD2 3.22Å; T101-D255 WeakPolarHBondContact CG2-OD2 3.4Å; R104-D255 HydrophobicContact CB-CB 4.05Å; R104-D255 WeakPolarHBondContact CB-O 3.35Å; R104-D255 WeakPolarHBondContact CG-O 3.3Å; I108-D255 HydrophobicContact CD1-CB 4.38Å; D255-Q308 PolarHBondContact O-NE2 3.17Å
256H93.9Very high87.4Confident0 Ų017.9 Ų17.90%09%0.094CC..  trans-142.8176.5164.653.482.8000110.9D60 A61 L62 T99 T101 R104 D206 H264 T274D60-H256 IonicContact OD1-CD2 3.67Å; D60-H256 IonicContact OD1-CE1 2.84Å; D60-H256 PolarHBondContact OD1-CE1 3.3Å; D60-H256 IonicContact OD1-ND1 2.77Å; D60-H256 IonicContact OD1-NE2 3.85Å; D60-H256 PolarHBondContact OD1-NE2 2.96Å; A61-H256 CarbonylContact C-O 3.59Å; A61-H256 WeakPolarHBondContact CA-O 3.27Å; A61-H256 PolarHBondContact N-O 3.36Å; L62-H256 PolarHBondContact N-O 3.24Å; T99-H256 HydrophobicContact CG2-CB 4.42Å; T101-H256 PolarHBondContact N-CD2 3.4Å; T101-H256 PolarHBondContact N-NE2 3.04Å; T101-H256 PolarHBondContact OG1-NE2 2.81Å; R104-H256 HydrophobicContact CG-CB 4.23Å; D206-H256 IonicContact OD1-CE1 3.81Å; H256-H264 AromaticContact CE1-CD2 3.58Å; H256-H264 AromaticContact CE1-CE1 3.62Å; H256-H264 AromaticContact CE1-CG 3.37Å; H256-H264 AromaticContact CE1-ND1 3.38Å; H256-H264 PolarHBondContact CE1-ND1 2.81Å; H256-H264 AromaticContact CE1-NE2 3.81Å; H256-H264 AromaticContact ND1-CG 3.69Å; H256-H264 AromaticContact ND1-ND1 3.89Å; H256-H264 AromaticContact NE2-CE1 3.61Å; H256-H264 AromaticContact NE2-ND1 3.54Å; H256-T274 VanDerWaalsContact O-CG2 3.25Å; H256-T274 WeakPolarHBondContact O-CG2 3.29Å
257G92.5Very high87Confident0 Ų017 Ų170%010%0.096CC..  trans-105.7-171.616500000111.2H264 G270 E271G257-H264 WeakPolarHBondContact O-CB 3.17Å; G257-G270 WeakPolarHBondContact CA-O 2.89Å; G257-E271 PolarHBondContact N-O 2.83Å
258I88.7Confident86.6Confident1 Ų117.5 Ų17.51%0.00510%0.1CC..  trans-130.6145.6179.7-160.3169.3000110.7A61 R63 P214 G262 S263 G270A61-I258 HydrophobicContact CB-CB 4.14Å; A61-I258 HydrophobicContact CB-CG2 4.49Å; R63-I258 WeakPolarHBondContact CD-O 3.48Å; R63-I258 HydrophobicContact CG-CG2 4.24Å; R63-I258 PolarHBondContact NH1-O 3.49Å; P214-I258 HydrophobicContact CB-CG2 4.3Å; I258-G262 VanDerWaalsContact CD1-CA 3.48Å; I258-G262 WeakPolarHBondContact CD1-O 3.36Å; I258-G262 VanDerWaalsContact CG1-C 3.4Å; I258-S263 WeakPolarHBondContact CG1-O 3.44Å; I258-G270 PolarHBondContact N-O 3.47Å; I258-G270 CarbonylContact O-C 3.58Å
259S84.1Confident86.3Confident12 Ų1221.8 Ų21.88%0.08413%0.128CC..  trans-66.7164.7174.465.60000111P214 K261 G262 S263P214-S259 WeakPolarHBondContact CD-O 3.01Å; S259-K261 PolarHBondContact O-N 2.91Å; S259-G262 PolarHBondContact O-N 2.97Å; S259-S263 WeakPolarHBondContact CB-O 2.99Å; S259-S263 PolarHBondContact N-O 2.84Å; S259-S263 PolarHBondContact OG-N 3.2Å; S259-S263 VanDerWaalsContact OG-N 3.09Å; S259-S263 PolarHBondContact OG-O 2.8Å
260D80.6Confident85.9Confident116 Ų11622.3 Ų22.362%0.6213%0.133SC*.THydrogen-bonded Turntrans-63.8-12177.6-62.4-31.2000113.7R63 P214R63-D260 IonicContact CZ-OD1 2.87Å; R63-D260 IonicContact NH1-OD1 3.71Å; R63-D260 PolarHBondContact NH1-OD1 2.81Å; R63-D260 IonicContact NH2-OD1 3.54Å; R63-D260 PolarHBondContact NH2-OD1 3.24Å; P214-D260 WeakPolarHBondContact CD-O 3.47Å
261K68.6Low85.6Confident71 Ų7122.3 Ų22.331%0.30913%0.133SC..THydrogen-bonded Turntrans-94.2-0.5174.6-73.7-168.4149.5179.90114.5S259 Q600 M606 D610S259-K261 PolarHBondContact O-N 2.91Å; K261-Q600 PolarHBondContact NZ-O 3.28Å; K261-M606 WeakPolarHBondContact CD-O 3.47Å; K261-M606 WeakPolarHBondContact CE-O 3.48Å; K261-M606 PolarHBondContact NZ-O 3.3Å; K261-M606 VanDerWaalsContact NZ-O 3.15Å; K261-D610 IonicContact NZ-OD2 2.61Å; K261-D610 PolarHBondContact NZ-OD2 2.9Å
262G75Confident85.3Confident1 Ų125.5 Ų25.51%0.0115%0.147CC..SBendtrans81.621.4-176.800000114.3G209 H210 I258 S259G209-G262 WeakPolarHBondContact O-CA 3.4Å; H210-G262 VanDerWaalsContact CA-O 3.29Å; H210-G262 WeakPolarHBondContact CA-O 3.34Å; H210-G262 PolarHBondContact ND1-O 2.87Å; I258-G262 VanDerWaalsContact CD1-CA 3.48Å; I258-G262 WeakPolarHBondContact CD1-O 3.36Å; I258-G262 VanDerWaalsContact CG1-C 3.4Å; S259-G262 PolarHBondContact O-N 2.97Å
263S75.9Confident85.1Confident32 Ų3226.4 Ų26.422%0.22415%0.153CC..  trans-117.5154174.3-60.60000112.1I258 S259 S819I258-S263 WeakPolarHBondContact CG1-O 3.44Å; S259-S263 WeakPolarHBondContact CB-O 2.99Å; S259-S263 PolarHBondContact N-O 2.84Å; S259-S263 PolarHBondContact OG-N 3.2Å; S259-S263 VanDerWaalsContact OG-N 3.09Å; S259-S263 PolarHBondContact OG-O 2.8Å; S263-S819 WeakPolarHBondContact CB-O 3.43Å; S263-S819 PolarHBondContact OG-O 3.03Å
264H79.5Confident85Confident18 Ų1826.4 Ų26.48%0.08315%0.153CC..  trans-131.8-178174.367.286000111.1T99 D206 H210 H256 G257 E271 S819T99-H264 PolarHBondContact O-ND1 2.9Å; D206-H264 IonicContact OD1-CD2 3.72Å; D206-H264 PolarHBondContact OD1-CD2 3.32Å; D206-H264 IonicContact OD2-NE2 3.09Å; H210-H264 AromaticContact CE1-CD2 3.22Å; H210-H264 PolarHBondContact CE1-CD2 3.44Å; H210-H264 AromaticContact CE1-NE2 3.31Å; H210-H264 PolarHBondContact CE1-NE2 2.96Å; H210-H264 VanDerWaalsContact CE1-NE2 3.31Å; H210-H264 AromaticContact NE2-CD2 3.56Å; H210-H264 AromaticContact NE2-NE2 3.24Å; H210-H264 PolarHBondContact NE2-NE2 3.49Å; H256-H264 AromaticContact CE1-CD2 3.58Å; H256-H264 AromaticContact CE1-CE1 3.62Å; H256-H264 AromaticContact CE1-CG 3.37Å; H256-H264 AromaticContact CE1-ND1 3.38Å; H256-H264 PolarHBondContact CE1-ND1 2.81Å; H256-H264 AromaticContact CE1-NE2 3.81Å; H256-H264 AromaticContact ND1-CG 3.69Å; H256-H264 AromaticContact ND1-ND1 3.89Å; H256-H264 AromaticContact NE2-CE1 3.61Å; H256-H264 AromaticContact NE2-ND1 3.54Å; G257-H264 WeakPolarHBondContact O-CB 3.17Å; H264-E271 VanDerWaalsContact C-OE1 3.27Å; H264-E271 WeakPolarHBondContact CA-OE1 3.12Å; H264-S819 WeakPolarHBondContact O-CA 3.33Å; H264-S819 WeakPolarHBondContact O-CB 3.41Å
265G73.3Confident84.9Confident5 Ų526.4 Ų26.45%0.05215%0.153CC..SBendtrans96.9-12.8-173.800000114.7T99 E271T99-G265 WeakPolarHBondContact O-CA 3.48Å; T99-G265 PolarHBondContact O-N 3.36Å; T99-G265 WeakPolarHBondContact OG1-CA 3.25Å; T99-G265 PolarHBondContact OG1-N 3.06Å; G265-E271 PolarHBondContact N-OE1 3.3Å
266G72.8Confident85Confident6 Ų626.4 Ų26.46%0.06215%0.153CC..SBendtrans-91.9-156.7179.300000114.5T99 E271T99-G266 PolarHBondContact OG1-N 2.98Å; T99-G266 PolarHBondContact OG1-O 3.34Å; T99-G266 VanDerWaalsContact OG1-O 3.07Å; G266-E271 VanDerWaalsContact CA-OE1 3.23Å; G266-E271 WeakPolarHBondContact CA-OE1 3.45Å; G266-E271 PolarHBondContact N-OE1 3.23Å
267S79.9Confident85.1Confident43 Ų4326.4 Ų26.430%0.30115%0.153SC..  trans-129.421.2-174.269.30000113.8E271 K272S267-E271 PolarHBondContact N-OE2 3.25Å; S267-K272 WeakPolarHBondContact O-CE 3.4Å; S267-K272 PolarHBondContact O-NZ 2.87Å
268T82.6Confident85.2Confident49 Ų4926.4 Ų26.430%0.30115%0.153SC..  trans-67162.4173.4670000110.7E271 K272T268-E271 VanDerWaalsContact CB-OE2 3.23Å; T268-E271 WeakPolarHBondContact CB-OE2 3.48Å; T268-E271 VanDerWaalsContact CG2-OE2 3.25Å; T268-E271 WeakPolarHBondContact CG2-OE2 3.46Å; T268-E271 PolarHBondContact N-OE2 2.9Å; T268-E271 PolarHBondContact O-N 3.28Å; T268-E271 VanDerWaalsContact OG1-CD 3.28Å; T268-E271 VanDerWaalsContact OG1-CG 3.24Å; T268-E271 WeakPolarHBondContact OG1-CG 3.24Å; T268-E271 PolarHBondContact OG1-N 3.32Å; T268-E271 PolarHBondContact OG1-OE2 2.76Å; T268-K272 WeakPolarHBondContact O-CE 3.45Å; T268-K272 WeakPolarHBondContact O-CG 3.04Å; T268-K272 PolarHBondContact O-N 3.3Å; T268-K272 VanDerWaalsContact O-N 3.13Å
269T87.1Confident85.4Confident103 Ų10326.8 Ų26.863%0.63215%0.154SC*.Hα-helixtrans-60.3-47.7179.4-52.20000111E271 K272 T273T269-E271 VanDerWaalsContact C-N 3.27Å; T269-E271 PolarHBondContact O-N 3.45Å; T269-K272 PolarHBondContact O-N 3.27Å; T269-K272 VanDerWaalsContact O-N 3.08Å; T269-T273 HydrophobicContact CG2-CG2 3.97Å; T269-T273 WeakPolarHBondContact O-CG2 3.3Å; T269-T273 PolarHBondContact O-N 2.71Å; T269-T273 PolarHBondContact O-OG1 2.99Å
270G87.7Confident85.8Confident11 Ų1126.3 Ų26.311%0.11315%0.151CC..Hα-helixtrans-58.2-36.2178.400000113.2G257 I258G257-G270 WeakPolarHBondContact CA-O 2.89Å; I258-G270 PolarHBondContact N-O 3.47Å; I258-G270 CarbonylContact O-C 3.58Å
271E89.1Confident86.1Confident0 Ų022.2 Ų22.20%013%0.132CC..Hα-helixtrans-71.2-34.8176.1-69168.1112.200113.4T99 G257 H264 G265 G266 S267 T268 T269 S819T99-E271 HydrophobicContact CG2-CB 4.15Å; T99-E271 VanDerWaalsContact CG2-O 3.26Å; T99-E271 WeakPolarHBondContact CG2-O 3.35Å; G257-E271 PolarHBondContact N-O 2.83Å; H264-E271 VanDerWaalsContact C-OE1 3.27Å; H264-E271 WeakPolarHBondContact CA-OE1 3.12Å; G265-E271 PolarHBondContact N-OE1 3.3Å; G266-E271 VanDerWaalsContact CA-OE1 3.23Å; G266-E271 WeakPolarHBondContact CA-OE1 3.45Å; G266-E271 PolarHBondContact N-OE1 3.23Å; S267-E271 PolarHBondContact N-OE2 3.25Å; T268-E271 VanDerWaalsContact CB-OE2 3.23Å; T268-E271 WeakPolarHBondContact CB-OE2 3.48Å; T268-E271 VanDerWaalsContact CG2-OE2 3.25Å; T268-E271 WeakPolarHBondContact CG2-OE2 3.46Å; T268-E271 PolarHBondContact N-OE2 2.9Å; T268-E271 PolarHBondContact O-N 3.28Å; T268-E271 VanDerWaalsContact OG1-CD 3.28Å; T268-E271 VanDerWaalsContact OG1-CG 3.24Å; T268-E271 WeakPolarHBondContact OG1-CG 3.24Å; T268-E271 PolarHBondContact OG1-N 3.32Å; T268-E271 PolarHBondContact OG1-OE2 2.76Å; T269-E271 VanDerWaalsContact C-N 3.27Å; T269-E271 PolarHBondContact O-N 3.45Å; E271-S819 WeakPolarHBondContact OE1-CB 3.39Å
272K90.7Very high86.3Confident68 Ų6823.2 Ų23.230%0.29614%0.14SC..Hα-helixtrans-92.2-13.8-172.4-68.5-175.2-55.3-159.70114.6I94 V95 T99 S267 T268 T269I94-K272 WeakPolarHBondContact CA-O 3.48Å; V95-K272 WeakPolarHBondContact CB-O 3.47Å; V95-K272 PolarHBondContact N-O 3.48Å; V95-K272 WeakPolarHBondContact O-CB 3.44Å; V95-K272 WeakPolarHBondContact O-CG 3.39Å; T99-K272 HydrophobicContact CG2-CG 4.38Å; S267-K272 WeakPolarHBondContact O-CE 3.4Å; S267-K272 PolarHBondContact O-NZ 2.87Å; T268-K272 WeakPolarHBondContact O-CE 3.45Å; T268-K272 WeakPolarHBondContact O-CG 3.04Å; T268-K272 PolarHBondContact O-N 3.3Å; T268-K272 VanDerWaalsContact O-N 3.13Å; T269-K272 PolarHBondContact O-N 3.27Å; T269-K272 VanDerWaalsContact O-N 3.08Å
273T94.3Very high86.2Confident19 Ų1923.5 Ų23.512%0.11714%0.141CC..EExtended strand (participates in β ladder)trans-111.3102.8-176.259.60000110.3R63 A64 I94 T269R63-T273 WeakPolarHBondContact CA-O 3.48Å; A64-T273 PolarHBondContact N-O 2.79Å; I94-T273 HydrophobicContact CD1-CG2 3.77Å; T269-T273 HydrophobicContact CG2-CG2 3.97Å; T269-T273 WeakPolarHBondContact O-CG2 3.3Å; T269-T273 PolarHBondContact O-N 2.71Å; T269-T273 PolarHBondContact O-OG1 2.99Å
274T96.7Very high85.2Confident0 Ų024.8 Ų24.80%015%0.146CC..EExtended strand (participates in β ladder)trans-97154.7174.3610000111.2L62 S93 V95 G254 H256L62-T274 VanDerWaalsContact O-CA 3.28Å; L62-T274 WeakPolarHBondContact O-CA 3.39Å; L62-T274 WeakPolarHBondContact O-CB 3.29Å; S93-T274 WeakPolarHBondContact CB-OG1 3.3Å; S93-T274 PolarHBondContact N-O 3.43Å; S93-T274 PolarHBondContact O-N 2.59Å; S93-T274 PolarHBondContact O-OG1 2.86Å; V95-T274 HydrophobicContact CG2-CG2 3.83Å; G254-T274 PolarHBondContact O-OG1 2.86Å; H256-T274 VanDerWaalsContact O-CG2 3.25Å; H256-T274 WeakPolarHBondContact O-CG2 3.29Å
275G95.1Very high83.9Confident0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-76.2138172.300000110.4L62 T253 G254L62-G275 PolarHBondContact O-N 3.11Å; T253-G275 VanDerWaalsContact CA-O 3.27Å; T253-G275 WeakPolarHBondContact CA-O 3.14Å; G254-G275 PolarHBondContact N-O 2.98Å
276L96.9Very high82.6Confident0 Ų036.8 Ų36.80%021%0.205CC..EExtended strand (participates in β ladder)trans-128.6113.1169.4174.261000109.6S91 I251 L252 M278 L311 W335S91-L276 PolarHBondContact N-O 3.29Å; S91-L276 PolarHBondContact O-N 3.36Å; S91-L276 PolarHBondContact OG-O 3.47Å; I251-L276 HydrophobicContact CG2-CD1 3.72Å; L252-L276 WeakPolarHBondContact O-CA 3.36Å; L276-M278 HydrophobicContact CD1-CG 3.98Å; L276-M278 HydrophobicContact CD1-SD 4.42Å; L276-M278 HydrophobicContact CD2-SD 4.44Å; L276-M278 HydrophobicContact CG-CG 4.31Å; L276-M278 HydrophobicContact CG-SD 4.46Å; L276-L311 HydrophobicContact CD1-CD2 4.06Å; L276-L311 HydrophobicContact CD2-CD2 4.07Å; L276-W335 HydrophobicContact CD2-CH2 4.25Å; L276-W335 HydrophobicContact CD2-CZ2 3.67Å
277F95.7Very high81.3Confident0 Ų041.4 Ų41.40%023%0.229CC..EExtended strand (participates in β ladder)trans-115134.8173.6169.8-97.7000109.4L79 M83 A88 T89 F250 L252 F279L79-F277 HydrophobicContact CD1-CD1 3.88Å; L79-F277 HydrophobicContact CD1-CE1 3.58Å; L79-F277 HydrophobicContact CD1-CE2 4.47Å; L79-F277 HydrophobicContact CD1-CG 4.43Å; L79-F277 HydrophobicContact CD1-CZ 3.9Å; M83-F277 HydrophobicContact CB-CE2 4.41Å; M83-F277 HydrophobicContact CG-CD2 3.95Å; M83-F277 HydrophobicContact CG-CE2 3.75Å; A88-F277 HydrophobicContact CB-CE2 3.73Å; A88-F277 HydrophobicContact CB-CZ 4.16Å; T89-F277 WeakPolarHBondContact O-CA 3.46Å; F250-F277 HydrophobicContact CD1-CD1 4.12Å; F250-F277 AromaticContact CD1-CE1 3.96Å; F250-F277 HydrophobicContact CD1-CE1 3.96Å; F250-F277 AromaticContact CE1-CD1 3.96Å; F250-F277 HydrophobicContact CE1-CD1 3.96Å; F250-F277 HydrophobicContact CE1-CE1 4.03Å; L252-F277 HydrophobicContact CB-CB 4.22Å; L252-F277 HydrophobicContact CB-CD1 4.21Å; L252-F277 PolarHBondContact N-O 2.83Å; L252-F277 PolarHBondContact O-N 3.17Å; F277-F279 HydrophobicContact CE1-CB 3.84Å; F277-F279 HydrophobicContact CZ-CB 3.79Å; F277-F279 HydrophobicContact CZ-CG 4.4Å
278M94.9Very high79.5Confident0 Ų046 Ų460%025%0.25CS..EExtended strand (participates in β ladder)trans-135.3144.5177-55.4167.451.500110.3A88 T89 L249 F250 I251 L276 W283 L314 W335 F339A88-M278 CarbonylContact C-O 3.48Å; A88-M278 VanDerWaalsContact CA-O 3.28Å; A88-M278 WeakPolarHBondContact CA-O 3.45Å; T89-M278 PolarHBondContact N-O 3.46Å; T89-M278 PolarHBondContact O-N 2.76Å; T89-M278 WeakPolarHBondContact OG1-CB 3.5Å; L249-M278 HydrophobicContact CD1-CB 4.37Å; L249-M278 HydrophobicContact CD1-CE 4.11Å; L249-M278 HydrophobicContact CD2-CE 4.17Å; F250-M278 CarbonylContact O-C 3.19Å; F250-M278 VanDerWaalsContact O-CA 3.28Å; F250-M278 WeakPolarHBondContact O-CA 3.3Å; I251-M278 HydrophobicContact CG1-CG 4.1Å; I251-M278 HydrophobicContact CG2-CG 4.38Å; L276-M278 HydrophobicContact CD1-CG 3.98Å; L276-M278 HydrophobicContact CD1-SD 4.42Å; L276-M278 HydrophobicContact CD2-SD 4.44Å; L276-M278 HydrophobicContact CG-CG 4.31Å; L276-M278 HydrophobicContact CG-SD 4.46Å; M278-W283 HydrophobicContact CB-CH2 3.75Å; M278-W283 HydrophobicContact CB-CZ2 4.45Å; M278-W283 HydrophobicContact CE-CH2 4.46Å; M278-W283 HydrophobicContact CE-CZ2 4.37Å; M278-L314 HydrophobicContact CE-CD2 3.45Å; M278-L314 VanDerWaalsContact CE-CD2 3.45Å; M278-L314 HydrophobicContact SD-CD2 4.16Å; M278-W335 HydrophobicContact SD-CZ2 4.04Å; M278-F339 HydrophobicContact CE-CE2 3.81Å; M278-F339 HydrophobicContact CE-CZ 3.76Å
279F93.1Very high77.5Confident8 Ų851.3 Ų51.34%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-146.5130.1-177.9-175.9-118.7000110.7Y82 L85 S87 A88 L234 M238 W248 F250 F277Y82-F279 HydrophobicContact CD1-CE1 4.32Å; Y82-F279 HydrophobicContact CD1-CZ 4.35Å; L85-F279 HydrophobicContact CB-CE2 4.04Å; L85-F279 HydrophobicContact CD1-CE2 3.53Å; L85-F279 HydrophobicContact CD1-CZ 3.57Å; L85-F279 HydrophobicContact CG-CE2 4.42Å; S87-F279 WeakPolarHBondContact O-CA 3.43Å; S87-F279 WeakPolarHBondContact O-CD2 3.41Å; A88-F279 HydrophobicContact CB-CD2 3.84Å; L234-F279 HydrophobicContact CD2-CD1 3.73Å; L234-F279 HydrophobicContact CD2-CE1 4.39Å; M238-F279 HydrophobicContact CG-CE1 4.31Å; M238-F279 HydrophobicContact SD-CE1 3.8Å; M238-F279 HydrophobicContact SD-CZ 4.19Å; W248-F279 AromaticContact CH2-CD1 3.68Å; W248-F279 HydrophobicContact CH2-CD1 3.68Å; W248-F279 AromaticContact CH2-CE1 3.52Å; W248-F279 HydrophobicContact CH2-CE1 3.52Å; W248-F279 HydrophobicContact CH2-CZ 4.37Å; W248-F279 AromaticContact CZ3-CD1 3.69Å; W248-F279 HydrophobicContact CZ3-CD1 3.69Å; W248-F279 HydrophobicContact CZ3-CE1 4.04Å; W248-F279 HydrophobicContact CZ3-CG 4.49Å; F250-F279 HydrophobicContact CB-CB 4.5Å; F250-F279 PolarHBondContact N-O 3.3Å; F250-F279 PolarHBondContact O-N 3.24Å; F277-F279 HydrophobicContact CE1-CB 3.84Å; F277-F279 HydrophobicContact CZ-CB 3.79Å; F277-F279 HydrophobicContact CZ-CG 4.4Å
280G91.4Very high75.3Confident2 Ų254 Ų542%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-136.9156.3-174.700000114.6S87 W248S87-G280 WeakPolarHBondContact CB-O 3.41Å; S87-G280 PolarHBondContact O-N 3.35Å; W248-G280 VanDerWaalsContact O-CA 3.31Å; W248-G280 WeakPolarHBondContact O-CA 3.3Å
281S87.8Confident73.3Confident30 Ų3059.1 Ų59.121%0.2131%0.31CS..THydrogen-bonded Turntrans-70.5-34.1-176.550.20000115.1K246 N247 W248K246-S281 PolarHBondContact O-OG 3.23Å; K246-S281 VanDerWaalsContact O-OG 3.1Å; N247-S281 WeakPolarHBondContact CA-OG 3.39Å; W248-S281 PolarHBondContact N-OG 3.43Å; W248-S281 PolarHBondContact O-N 2.84Å; W248-S281 VanDerWaalsContact O-N 3.17Å
282N72.6Confident71.4Confident92 Ų9267.3 Ų67.349%0.49235%0.348SS..THydrogen-bonded Turntrans-114.425.1-166.7-86.57.1000115.5N247N247-N282 PolarHBondContact OD1-ND2 3.09Å
283W72.4Confident69.7Low7 Ų767.6 Ų67.63%0.02735%0.353CS..  trans-76.8139.9176.9-63.7-3.8000111.4S87 T89 L249 M278 K285 N338 F339S87-W283 VanDerWaalsContact C-CZ3 3.44Å; S87-W283 WeakPolarHBondContact O-CZ3 3.43Å; T89-W283 HydrophobicContact CG2-CH2 4.27Å; T89-W283 HydrophobicContact CG2-CZ3 3.75Å; L249-W283 HydrophobicContact CD1-CH2 4.31Å; L249-W283 HydrophobicContact CD1-CZ2 3.6Å; M278-W283 HydrophobicContact CB-CH2 3.75Å; M278-W283 HydrophobicContact CB-CZ2 4.45Å; M278-W283 HydrophobicContact CE-CH2 4.46Å; M278-W283 HydrophobicContact CE-CZ2 4.37Å; W283-K285 PolarHBondContact O-N 2.96Å; W283-K285 VanDerWaalsContact O-N 3.13Å; W283-N338 HydrophobicContact CD2-CB 3.97Å; W283-N338 HydrophobicContact CE3-CB 4.2Å; W283-N338 HydrophobicContact CG-CB 4.15Å; W283-F339 HydrophobicContact CZ2-CE1 4.18Å; W283-F339 HydrophobicContact CZ2-CE2 4.15Å; W283-F339 AromaticContact CZ2-CZ 3.67Å; W283-F339 HydrophobicContact CZ2-CZ 3.67Å; W283-F339 AromaticContact NE1-CD1 3.84Å; W283-F339 AromaticContact NE1-CE1 3.52Å; W283-F339 AromaticContact NE1-CZ 3.88Å
284N56.1Low68.5Low60 Ų6070.9 Ų70.932%0.32137%0.373SS..  trans-51.2115.6-174.7-83.8-17000112.3T286 S341N284-T286 PolarHBondContact O-N 2.99Å; N284-S341 WeakPolarHBondContact ND2-CB 3.46Å
285K52.1Low67.9Low165 Ų16571.3 Ų71.372%0.71738%0.376SS*.THydrogen-bonded Turntrans-75.7-1.6171.7-62.6-178.8180176.80113.6Q86 W283Q86-K285 PolarHBondContact OE1-O 3.1Å; W283-K285 PolarHBondContact O-N 2.96Å; W283-K285 VanDerWaalsContact O-N 3.13Å
286T45Very low67.5Low109 Ų10973.7 Ų73.767%0.66939%0.39SS*.THydrogen-bonded Turntrans-101.910-164.348.50000115.5N284 D288N284-T286 PolarHBondContact O-N 2.99Å; T286-D288 PolarHBondContact O-N 3.3Å
287N46Very low67Low104 Ų10474.6 Ų74.656%0.55640%0.396SS*.  trans-85.493.4170.8-82.7-6.3000110.4H289N287-H289 VanDerWaalsContact C-N 3.26Å; N287-H289 PolarHBondContact O-N 3.42Å
288D42.7Very low66.4Low140 Ų14080.6 Ų80.675%0.74943%0.433SS*.  trans-76.7-4.9176-102.1-20.3000114.2T286T286-D288 PolarHBondContact O-N 3.3Å
289H39.8Very low66Low160 Ų16084 Ų8474%0.74145%0.451SS*.  trans-140.6101-174-60-43.2000110.5N287N287-H289 VanDerWaalsContact C-N 3.26Å; N287-H289 PolarHBondContact O-N 3.42Å
290L41.3Very low65.6Low158 Ų15885.7 Ų85.783%0.82746%0.46SS*.SBendtrans166.3106.1140.8-86.5157.3000108.7
291T46.2Very low65.2Low120 Ų12094.1 Ų94.174%0.73650%0.496SS*.  trans50.8129.5156.655.50000118.2N293T291-N293 PolarHBondContact O-N 2.87Å
292E48Very low65.1Low171 Ų17199.2 Ų99.280%0.79952%0.517SS*.  trans-35.6119.4165.3-66.3174.916000110.2T294E292-T294 HydrophobicContact CB-CG2 3.95Å; E292-T294 PolarHBondContact O-N 3.31Å
293N56.4Low65.9Low75 Ų7595.3 Ų95.340%0.40150%0.496SS..  trans-68.167.3174.3-96.2-3.2000108.5T291 C295T291-N293 PolarHBondContact O-N 2.87Å; N293-C295 VanDerWaalsContact C-N 3.3Å; N293-C295 PolarHBondContact O-N 3.23Å
294T68.8Low66.7Low88 Ų8898.3 Ų98.354%0.5452%0.516SS..  trans-79.387.7173.855.90000107.4E292 V296E292-T294 HydrophobicContact CB-CG2 3.95Å; E292-T294 PolarHBondContact O-N 3.31Å; T294-V296 PolarHBondContact O-N 2.97Å
295C83.3Confident68.4Low9 Ų999.6 Ų99.66%0.06152%0.52CS..  trans-59-24.3167-63.70000111.7F68 M83 C90 N293F68-C295 VanDerWaalsContact CB-O 3.32Å; F68-C295 WeakPolarHBondContact CB-O 3.45Å; F68-C295 HydrophobicContact CD1-CB 4.04Å; F68-C295 WeakPolarHBondContact CD1-O 3.19Å; F68-C295 HydrophobicContact CE1-CB 4.26Å; M83-C295 HydrophobicContact CB-CB 4.19Å; M83-C295 HydrophobicContact CG-CB 4.34Å; M83-C295 HydrophobicContact SD-CB 3.79Å; C90-C295 HydrophobicContact CB-CB 3.52Å; C90-C295 WeakPolarHBondContact CB-SG 3.4Å; C90-C295 WeakPolarHBondContact SG-CB 3.23Å; C90-C295 CovalentContact SG-SG 2.02Å; C90-C295 PolarHBondContact SG-SG 2.76Å; N293-C295 VanDerWaalsContact C-N 3.3Å; N293-C295 PolarHBondContact O-N 3.23Å
296V86.1Confident70.4Confident49 Ų4991.9 Ų91.930%0.29749%0.487SS..  trans-85.1120.4179.6-1780000110.3F68 P70 T294F68-V296 CarbonylContact O-C 3.44Å; F68-V296 VanDerWaalsContact O-CA 3.23Å; F68-V296 WeakPolarHBondContact O-CA 3.32Å; P70-V296 HydrophobicContact CB-CG1 4.38Å; P70-V296 HydrophobicContact CG-CG1 3.85Å; T294-V296 PolarHBondContact O-N 2.97Å
297T87.5Confident72.8Confident20 Ų2088.6 Ų88.612%0.12346%0.464CS..  trans-146.1146.9176.9179.50000111.5F68 P70 N299 Q302 L303F68-T297 PolarHBondContact O-N 2.95Å; P70-T297 WeakPolarHBondContact CD-O 3.45Å; T297-N299 VanDerWaalsContact C-N 3.3Å; T297-N299 WeakPolarHBondContact CG2-O 3.3Å; T297-N299 PolarHBondContact OG1-N 3.24Å; T297-N299 VanDerWaalsContact OG1-N 3.07Å; T297-N299 PolarHBondContact OG1-O 3.29Å; T297-Q302 PolarHBondContact OG1-OE1 3.42Å; T297-L303 HydrophobicContact CG2-CD1 4.2Å; T297-L303 HydrophobicContact CG2-CD2 4.06Å; T297-L303 HydrophobicContact CG2-CG 3.77Å
298T83.5Confident75.1Confident126 Ų12683.7 Ų83.777%0.77344%0.438SS*.SBendtrans-74.6-22.3170.452.90000112.3P70P70-T298 HydrophobicContact CG-CG2 3.81Å
299N86.3Confident77.6Confident70 Ų7077 Ų7737%0.37440%0.402SS..  trans-113.892179.8-174.94.3000110.5T297 K301 Q302T297-N299 VanDerWaalsContact C-N 3.3Å; T297-N299 WeakPolarHBondContact CG2-O 3.3Å; T297-N299 PolarHBondContact OG1-N 3.24Å; T297-N299 VanDerWaalsContact OG1-N 3.07Å; T297-N299 PolarHBondContact OG1-O 3.29Å; N299-K301 PolarHBondContact O-N 3.06Å; N299-K301 WeakPolarHBondContact OD1-CB 3.29Å; N299-K301 PolarHBondContact OD1-N 3.43Å; N299-Q302 HydrophobicContact CB-CG 4.15Å; N299-Q302 WeakPolarHBondContact O-CB 3.38Å; N299-Q302 PolarHBondContact O-N 3.1Å
300L84.4Confident80.3Confident44 Ų4469.6 Ų69.623%0.2337%0.368CS..G310 helixtrans-56.5-20.6-179.2-56.7173.6000114A64 D65 F68 Q302 L303 Q305A64-L300 HydrophobicContact CB-CD1 4.31Å; D65-L300 HydrophobicContact CB-CD1 3.84Å; D65-L300 HydrophobicContact CB-CD2 4.45Å; F68-L300 HydrophobicContact CB-CD2 4.13Å; L300-Q302 PolarHBondContact O-N 2.9Å; L300-L303 HydrophobicContact CB-CD1 4.47Å; L300-L303 HydrophobicContact CD2-CD1 3.95Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 3.12Å; L300-Q305 PolarHBondContact O-NE2 2.85Å; L300-Q305 VanDerWaalsContact O-NE2 3.17Å
301K84Confident83Confident180 Ų18062.1 Ų62.178%0.78333%0.329SS*.G310 helixtrans-68.7-17.2175-62.8-177.8176.5179.90113.2N299 L303N299-K301 PolarHBondContact O-N 3.06Å; N299-K301 WeakPolarHBondContact OD1-CB 3.29Å; N299-K301 PolarHBondContact OD1-N 3.43Å; K301-L303 VanDerWaalsContact C-N 3.34Å
302Q85.3Confident85.3Confident136 Ų13656.4 Ų56.464%0.63629%0.294SS*.G310 helixtrans-79.5-18.6174.1-67.2175.9-2600112.4T297 N299 L300T297-Q302 PolarHBondContact OG1-OE1 3.42Å; N299-Q302 HydrophobicContact CB-CG 4.15Å; N299-Q302 WeakPolarHBondContact O-CB 3.38Å; N299-Q302 PolarHBondContact O-N 3.1Å; L300-Q302 PolarHBondContact O-N 2.9Å
303L87.9Confident87.6Confident11 Ų1148.2 Ų48.26%0.05826%0.256CS..SBendtrans-66.1147173.9-68.3167.3000109.9F68 A92 T297 L300 K301 Q305F68-L303 HydrophobicContact CB-CD1 3.77Å; F68-L303 HydrophobicContact CD2-CD1 3.46Å; F68-L303 VanDerWaalsContact CD2-CD1 3.46Å; F68-L303 HydrophobicContact CE2-CD1 4.27Å; F68-L303 HydrophobicContact CG-CD1 3.79Å; A92-L303 HydrophobicContact CB-CB 4.46Å; T297-L303 HydrophobicContact CG2-CD1 4.2Å; T297-L303 HydrophobicContact CG2-CD2 4.06Å; T297-L303 HydrophobicContact CG2-CG 3.77Å; L300-L303 HydrophobicContact CB-CD1 4.47Å; L300-L303 HydrophobicContact CD2-CD1 3.95Å; L300-L303 WeakPolarHBondContact O-CB 3.45Å; L300-L303 PolarHBondContact O-N 3.12Å; K301-L303 VanDerWaalsContact C-N 3.34Å; L303-Q305 PolarHBondContact O-N 2.94Å; L303-Q305 PolarHBondContact O-NE2 3.32Å
304P90.7Very high89.4Confident69 Ų6944.7 Ų44.745%0.44824%0.236SC..PPolyproline II helixtrans-50.5131.2165.2-24.534000110.2S91 A92S91-P304 CarbonylContact C-O 3.59Å; S91-P304 WeakPolarHBondContact CA-O 3.5Å; S91-P304 VanDerWaalsContact CB-O 3.22Å; S91-P304 WeakPolarHBondContact CB-O 3Å; A92-P304 PolarHBondContact N-O 3.15Å
305Q91.3Very high90.7Very high88 Ų8840.5 Ų40.541%0.41121%0.211SC..EExtended strand (participates in β ladder)trans-101.4128.8179.5-55.6-64.8-56.900108.9A92 I94 L300 L303A92-Q305 WeakPolarHBondContact O-CA 3.4Å; I94-Q305 VanDerWaalsContact CD1-OE1 3.32Å; L300-Q305 PolarHBondContact O-NE2 2.85Å; L300-Q305 VanDerWaalsContact O-NE2 3.17Å; L303-Q305 PolarHBondContact O-N 2.94Å; L303-Q305 PolarHBondContact O-NE2 3.32Å
306T94.3Very high91.1Very high3 Ų340 Ų402%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-121.5163.5172.658.20000109.1A92 I94 W335A92-T306 PolarHBondContact O-N 2.93Å; I94-T306 WeakPolarHBondContact CB-O 3.47Å; I94-T306 PolarHBondContact N-O 3.36Å; T306-W335 HydrophobicContact CG2-CH2 4.07Å; T306-W335 HydrophobicContact CG2-CZ2 3.63Å
307Q94.5Very high91.4Very high40 Ų4038.4 Ų38.419%0.18720%0.197CC..EExtended strand (participates in β ladder)trans-95.2144.1167.6-57.4-60.6-45.300109.4V309 D310 L449Q307-V309 HydrophobicContact CB-CG2 3.67Å; Q307-V309 PolarHBondContact O-N 3.08Å; Q307-V309 VanDerWaalsContact O-N 3.17Å; Q307-D310 PolarHBondContact N-OD2 2.9Å; Q307-D310 WeakPolarHBondContact O-CB 3.34Å; Q307-D310 VanDerWaalsContact O-CG 3.26Å; Q307-D310 PolarHBondContact O-N 2.8Å; Q307-L449 HydrophobicContact CB-CD1 4.3Å; Q307-L449 HydrophobicContact CG-CD1 3.76Å
308Q95.4Very high91.6Very high0 Ų037.5 Ų37.50%019%0.192CC..THydrogen-bonded Turntrans-58-33.2177-179.6178.661.600112.7S93 I94 V95 I108 D255 D310 L311S93-Q308 WeakPolarHBondContact OG-CA 3.44Å; S93-Q308 PolarHBondContact OG-N 3.37Å; I94-Q308 PolarHBondContact O-N 3.33Å; V95-Q308 HydrophobicContact CG2-CB 4.11Å; I108-Q308 HydrophobicContact CD1-CG 4.37Å; I108-Q308 HydrophobicContact CG1-CG 3.55Å; D255-Q308 PolarHBondContact O-NE2 3.17Å; Q308-D310 PolarHBondContact O-N 2.76Å; Q308-L311 PolarHBondContact O-N 2.96Å
309V94.6Very high92Very high0 Ų031.8 Ų31.80%016%0.157CC..THydrogen-bonded Turntrans-64.5-19.5176.7-67.10000113.8A107 G111 R112 Q307 L311 A312 G329 L449A107-V309 HydrophobicContact CB-CG1 4.31Å; G111-V309 WeakPolarHBondContact CA-O 3.29Å; G111-V309 WeakPolarHBondContact O-CB 3.45Å; R112-V309 WeakPolarHBondContact O-CG1 3.46Å; Q307-V309 HydrophobicContact CB-CG2 3.67Å; Q307-V309 PolarHBondContact O-N 3.08Å; Q307-V309 VanDerWaalsContact O-N 3.17Å; V309-L311 PolarHBondContact O-N 3.17Å; V309-A312 PolarHBondContact O-N 3.34Å; V309-G329 WeakPolarHBondContact O-CA 3.18Å; V309-L449 HydrophobicContact CG2-CD1 4.32Å; V309-L449 HydrophobicContact CG2-CD2 4.37Å
310D96.6Very high92.1Very high5 Ų529.4 Ų29.43%0.02715%0.149CC..Hα-helixtrans-64.7-31.1179.7-64.4-22.3000112Q307 Q308 A312 T313 L314 G329 I330 W335 Q445Q307-D310 PolarHBondContact N-OD2 2.9Å; Q307-D310 WeakPolarHBondContact O-CB 3.34Å; Q307-D310 VanDerWaalsContact O-CG 3.26Å; Q307-D310 PolarHBondContact O-N 2.8Å; Q308-D310 PolarHBondContact O-N 2.76Å; D310-A312 VanDerWaalsContact C-N 3.25Å; D310-A312 PolarHBondContact O-N 3.04Å; D310-T313 PolarHBondContact O-N 2.89Å; D310-T313 VanDerWaalsContact O-N 3.15Å; D310-L314 PolarHBondContact O-N 3.23Å; D310-G329 WeakPolarHBondContact OD1-CA 3.28Å; D310-I330 VanDerWaalsContact CB-O 3.28Å; D310-I330 WeakPolarHBondContact CB-O 3.39Å; D310-I330 VanDerWaalsContact CG-O 3.3Å; D310-I330 PolarHBondContact OD1-N 3.5Å; D310-W335 HydrophobicContact CB-CH2 3.71Å; D310-W335 HydrophobicContact CB-CZ3 3.58Å; D310-Q445 PolarHBondContact OD1-NE2 3.28Å
311L97.1Very high92.4Very high0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-56.2-39.8178.9-72.8177.9000112.2M56 I108 I251 T253 L276 Q308 V309 T313 L314 I315 W335M56-L311 HydrophobicContact CE-CD1 4.27Å; I108-L311 HydrophobicContact CG2-CD1 4.31Å; I251-L311 HydrophobicContact CD1-CD2 4.25Å; I251-L311 HydrophobicContact CG2-CD2 4.49Å; T253-L311 HydrophobicContact CG2-CD1 4.29Å; L276-L311 HydrophobicContact CD1-CD2 4.06Å; L276-L311 HydrophobicContact CD2-CD2 4.07Å; Q308-L311 PolarHBondContact O-N 2.96Å; V309-L311 PolarHBondContact O-N 3.17Å; L311-T313 PolarHBondContact O-N 3.49Å; L311-L314 PolarHBondContact O-N 3.26Å; L311-I315 HydrophobicContact CB-CD1 4.5Å; L311-I315 WeakPolarHBondContact O-CB 3.26Å; L311-I315 WeakPolarHBondContact O-CD1 3.36Å; L311-I315 WeakPolarHBondContact O-CG1 3.25Å; L311-I315 PolarHBondContact O-N 3.06Å; L311-W335 HydrophobicContact CD2-CH2 4.46Å
312A95.8Very high92.6Very high0 Ų019.8 Ų19.80%011%0.109CC..Hα-helixtrans-65.7-39.9-179.300000112.4I108 G111 V309 D310 G316 P324I108-A312 WeakPolarHBondContact O-CB 3.28Å; G111-A312 VanDerWaalsContact CA-CB 3.45Å; V309-A312 PolarHBondContact O-N 3.34Å; D310-A312 VanDerWaalsContact C-N 3.25Å; D310-A312 PolarHBondContact O-N 3.04Å; A312-G316 PolarHBondContact O-N 3.4Å; A312-G316 VanDerWaalsContact O-N 3.14Å; A312-P324 HydrophobicContact CB-CG 4.31Å; A312-P324 WeakPolarHBondContact O-CD 3.48Å
313T95.1Very high92.9Very high0 Ų013.5 Ų13.50%08%0.08CC..Hα-helixtrans-68.5-45.4176.1-74.60000110.8D310 L311 G316 L317 I323 S327 G329 L331 L353D310-T313 PolarHBondContact O-N 2.89Å; D310-T313 VanDerWaalsContact O-N 3.15Å; L311-T313 PolarHBondContact O-N 3.49Å; T313-G316 PolarHBondContact O-N 3.26Å; T313-L317 HydrophobicContact CG2-CD1 3.88Å; T313-L317 VanDerWaalsContact O-CG 3.32Å; T313-L317 WeakPolarHBondContact O-CG 3.07Å; T313-L317 PolarHBondContact O-N 3.45Å; T313-L317 VanDerWaalsContact O-N 3.12Å; T313-I323 HydrophobicContact CG2-CD1 4.16Å; T313-I323 HydrophobicContact CG2-CG1 4.22Å; T313-I323 HydrophobicContact CG2-CG2 4.37Å; T313-S327 PolarHBondContact OG1-OG 3.01Å; T313-G329 VanDerWaalsContact OG1-C 3.3Å; T313-G329 VanDerWaalsContact OG1-CA 3.31Å; T313-G329 WeakPolarHBondContact OG1-CA 3.27Å; T313-G329 PolarHBondContact OG1-O 2.92Å; T313-G329 VanDerWaalsContact OG1-O 3.05Å; T313-L331 HydrophobicContact CG2-CD2 4.4Å; T313-L353 HydrophobicContact CG2-CD1 3.79Å
314L95.1Very high93.1Very high0 Ų013 Ų130%08%0.077CC..Hα-helixtrans-58.5-53.8177.1173.968.3000111.7M278 D310 L311 G316 L317 I318 L331 W335 F339M278-L314 HydrophobicContact CE-CD2 3.45Å; M278-L314 VanDerWaalsContact CE-CD2 3.45Å; M278-L314 HydrophobicContact SD-CD2 4.16Å; D310-L314 PolarHBondContact O-N 3.23Å; L311-L314 PolarHBondContact O-N 3.26Å; L314-G316 VanDerWaalsContact C-N 3.31Å; L314-G316 PolarHBondContact O-N 3.46Å; L314-L317 PolarHBondContact O-N 3.47Å; L314-L317 VanDerWaalsContact O-N 3.11Å; L314-I318 HydrophobicContact CD1-CD1 4.43Å; L314-I318 HydrophobicContact CD1-CG2 3.8Å; L314-I318 HydrophobicContact CG-CD1 4.14Å; L314-I318 HydrophobicContact CG-CG2 4.5Å; L314-I318 WeakPolarHBondContact O-CG1 3.32Å; L314-I318 WeakPolarHBondContact O-CG2 3.42Å; L314-I318 PolarHBondContact O-N 3.21Å; L314-L331 HydrophobicContact CB-CD2 4Å; L314-L331 HydrophobicContact CD1-CD2 3.89Å; L314-W335 HydrophobicContact CB-CE3 4.14Å; L314-W335 HydrophobicContact CB-CZ3 4Å; L314-W335 HydrophobicContact CD1-CE3 4.18Å; L314-W335 HydrophobicContact CD2-CD2 4.1Å; L314-W335 HydrophobicContact CD2-CE3 3.88Å; L314-W335 HydrophobicContact CD2-CH2 4.38Å; L314-W335 HydrophobicContact CD2-CZ3 3.99Å; L314-W335 HydrophobicContact CG-CE3 4.27Å; L314-W335 HydrophobicContact CG-CZ3 4.47Å; L314-F339 HydrophobicContact CD1-CD2 3.9Å; L314-F339 HydrophobicContact CD1-CE2 3.69Å; L314-F339 HydrophobicContact CD1-CZ 4.35Å; L314-F339 HydrophobicContact CD2-CE2 4.28Å
315I95.2Very high92.9Very high0 Ų010.5 Ų10.50%06%0.061CC..Hα-helixtrans-59.9-43.6-177.6-68.3164.8000110.3F54 M56 W133 I251 L311 L317 I318 T319F54-I315 HydrophobicContact CE1-CD1 4.22Å; F54-I315 HydrophobicContact CE1-CG2 4.38Å; F54-I315 HydrophobicContact CZ-CD1 3.73Å; F54-I315 HydrophobicContact CZ-CG1 4.07Å; M56-I315 HydrophobicContact CE-CD1 3.78Å; W133-I315 HydrophobicContact CB-CG2 4.06Å; W133-I315 HydrophobicContact CD2-CD1 4.32Å; W133-I315 HydrophobicContact CD2-CG2 3.82Å; W133-I315 HydrophobicContact CE3-CG2 4.07Å; W133-I315 HydrophobicContact CG-CB 4.29Å; W133-I315 HydrophobicContact CG-CG2 3.81Å; W133-I315 HydrophobicContact CZ2-CD1 4.08Å; I251-I315 HydrophobicContact CD1-CG1 4.47Å; L311-I315 HydrophobicContact CB-CD1 4.5Å; L311-I315 WeakPolarHBondContact O-CB 3.26Å; L311-I315 WeakPolarHBondContact O-CD1 3.36Å; L311-I315 WeakPolarHBondContact O-CG1 3.25Å; L311-I315 PolarHBondContact O-N 3.06Å; I315-L317 VanDerWaalsContact C-N 3.29Å; I315-L317 PolarHBondContact O-N 2.86Å; I315-I318 PolarHBondContact O-N 2.89Å; I315-T319 HydrophobicContact CG2-CG2 4.15Å; I315-T319 WeakPolarHBondContact O-CB 3.4Å; I315-T319 WeakPolarHBondContact O-CG2 3.4Å; I315-T319 PolarHBondContact O-N 3.41Å; I315-T319 VanDerWaalsContact O-N 3.13Å; I315-T319 PolarHBondContact O-OG1 3.28Å
316G93Very high92.5Very high0 Ų08 Ų80%05%0.048CC..Hα-helixtrans-59.4-37.2176.600000113.6A312 T313 L314 V321 G322A312-G316 PolarHBondContact O-N 3.4Å; A312-G316 VanDerWaalsContact O-N 3.14Å; T313-G316 PolarHBondContact O-N 3.26Å; L314-G316 VanDerWaalsContact C-N 3.31Å; L314-G316 PolarHBondContact O-N 3.46Å; G316-V321 PolarHBondContact O-N 3.42Å; G316-G322 WeakPolarHBondContact CA-O 3.42Å; G316-G322 WeakPolarHBondContact O-CA 3.11Å; G316-G322 PolarHBondContact O-N 3.02Å
317L92.6Very high92.3Very high15 Ų157.9 Ų7.98%0.0795%0.047CC..Hα-helixtrans-76.7-42.8-179.7-72.7167.8000113.2T313 L314 I315 I323 L331 W340 V349 T352T313-L317 HydrophobicContact CG2-CD1 3.88Å; T313-L317 VanDerWaalsContact O-CG 3.32Å; T313-L317 WeakPolarHBondContact O-CG 3.07Å; T313-L317 PolarHBondContact O-N 3.45Å; T313-L317 VanDerWaalsContact O-N 3.12Å; L314-L317 PolarHBondContact O-N 3.47Å; L314-L317 VanDerWaalsContact O-N 3.11Å; I315-L317 VanDerWaalsContact C-N 3.29Å; I315-L317 PolarHBondContact O-N 2.86Å; L317-I323 HydrophobicContact CD1-CD1 4.19Å; L317-I323 HydrophobicContact CD1-CG1 4.26Å; L317-I323 HydrophobicContact CD2-CD1 3.99Å; L317-I323 HydrophobicContact CD2-CG1 3.87Å; L317-I323 HydrophobicContact CG-CD1 4.14Å; L317-I323 HydrophobicContact CG-CG1 3.78Å; L317-L331 HydrophobicContact CD1-CD1 3.78Å; L317-L331 HydrophobicContact CD1-CD2 4.21Å; L317-L331 HydrophobicContact CD1-CG 4.2Å; L317-W340 HydrophobicContact CB-CH2 4.19Å; L317-W340 HydrophobicContact CB-CZ2 4.16Å; L317-V349 HydrophobicContact CD1-CG1 3.84Å; L317-V349 HydrophobicContact CD2-CG1 4.39Å; L317-T352 HydrophobicContact CD2-CG2 4.34Å
318I92Very high92.1Very high1 Ų17.7 Ų7.71%0.0055%0.046CC..Hα-helixtrans-81-21.3-174.467.6-171.6000113.9Y49 K50 I51 L249 L314 I315 F339 W340Y49-I318 HydrophobicContact CD1-CB 4.2Å; Y49-I318 HydrophobicContact CD1-CG2 4.38Å; K50-I318 WeakPolarHBondContact CA-O 3.34Å; I51-I318 HydrophobicContact CD1-CB 3.94Å; I51-I318 HydrophobicContact CD1-CD1 3.52Å; I51-I318 HydrophobicContact CD1-CG1 3.74Å; I51-I318 HydrophobicContact CG1-CB 4.23Å; I51-I318 HydrophobicContact CG1-CG1 4.39Å; I51-I318 PolarHBondContact N-O 3.28Å; L249-I318 HydrophobicContact CD2-CD1 3.42Å; L249-I318 VanDerWaalsContact CD2-CD1 3.42Å; L314-I318 HydrophobicContact CD1-CD1 4.43Å; L314-I318 HydrophobicContact CD1-CG2 3.8Å; L314-I318 HydrophobicContact CG-CD1 4.14Å; L314-I318 HydrophobicContact CG-CG2 4.5Å; L314-I318 WeakPolarHBondContact O-CG1 3.32Å; L314-I318 WeakPolarHBondContact O-CG2 3.42Å; L314-I318 PolarHBondContact O-N 3.21Å; I315-I318 PolarHBondContact O-N 2.89Å; I318-F339 HydrophobicContact CD1-CE1 4.31Å; I318-F339 HydrophobicContact CD1-CZ 4.36Å; I318-F339 HydrophobicContact CG2-CD1 3.88Å; I318-F339 HydrophobicContact CG2-CD2 4.45Å; I318-F339 HydrophobicContact CG2-CE1 4.12Å; I318-F339 HydrophobicContact CG2-CG 4.06Å; I318-W340 HydrophobicContact CG2-CH2 4.01Å; I318-W340 HydrophobicContact CG2-CZ2 4.22Å
319T91.5Very high91.9Very high6 Ų67.7 Ų7.74%0.0375%0.046CC..SBendtrans-91.1-10175.858.40000112.7L137 W142 I315 V321L137-T319 HydrophobicContact CD2-CG2 4.03Å; W142-T319 HydrophobicContact CH2-CG2 3.79Å; W142-T319 HydrophobicContact CZ2-CG2 4.06Å; W142-T319 HydrophobicContact CZ3-CG2 4.4Å; I315-T319 HydrophobicContact CG2-CG2 4.15Å; I315-T319 WeakPolarHBondContact O-CB 3.4Å; I315-T319 WeakPolarHBondContact O-CG2 3.4Å; I315-T319 PolarHBondContact O-N 3.41Å; I315-T319 VanDerWaalsContact O-N 3.13Å; I315-T319 PolarHBondContact O-OG1 3.28Å; T319-V321 VanDerWaalsContact C-N 3.27Å; T319-V321 PolarHBondContact O-N 3.5Å; T319-V321 WeakPolarHBondContact OG1-CG2 3.4Å
320G88.5Confident91.9Very high20 Ų207.8 Ų7.821%0.2065%0.047CC..SBendtrans79.9-2.6-178.100000115.1G322G320-G322 VanDerWaalsContact C-N 3.25Å; G320-G322 PolarHBondContact O-N 3.05Å
321V89.4Confident91.8Very high10 Ų107.7 Ų7.76%0.0615%0.046CC..SBendtrans-80.8-4.1-177.5-49.80000114.1R136 L137 H140 G316 T319R136-V321 HydrophobicContact CB-CB 4Å; R136-V321 HydrophobicContact CB-CG2 3.81Å; L137-V321 HydrophobicContact CD2-CG1 3.65Å; L137-V321 HydrophobicContact CD2-CG2 4.32Å; H140-V321 HydrophobicContact CB-CG1 3.9Å; G316-V321 PolarHBondContact O-N 3.42Å; T319-V321 VanDerWaalsContact C-N 3.27Å; T319-V321 PolarHBondContact O-N 3.5Å; T319-V321 WeakPolarHBondContact OG1-CG2 3.4Å
322G89.3Confident91.5Very high11 Ų118.2 Ų8.211%0.1135%0.05CC..  trans84.5162.4177.300000114.3R136 G316 G320R136-G322 PolarHBondContact NH1-O 2.86Å; G316-G322 WeakPolarHBondContact CA-O 3.42Å; G316-G322 WeakPolarHBondContact O-CA 3.11Å; G316-G322 PolarHBondContact O-N 3.02Å; G320-G322 VanDerWaalsContact C-N 3.25Å; G320-G322 PolarHBondContact O-N 3.05Å
323I91.7Very high91.2Very high4 Ų411.5 Ų11.52%0.0217%0.072CC..  trans-72.3127.7-178.8-57.1168.8000110.6R136 T313 L317 V325 T352 L353 H356R136-I323 VanDerWaalsContact CZ-O 3.29Å; R136-I323 PolarHBondContact NH1-O 3.08Å; R136-I323 PolarHBondContact NH2-O 2.87Å; R136-I323 VanDerWaalsContact NH2-O 3.1Å; T313-I323 HydrophobicContact CG2-CD1 4.16Å; T313-I323 HydrophobicContact CG2-CG1 4.22Å; T313-I323 HydrophobicContact CG2-CG2 4.37Å; L317-I323 HydrophobicContact CD1-CD1 4.19Å; L317-I323 HydrophobicContact CD1-CG1 4.26Å; L317-I323 HydrophobicContact CD2-CD1 3.99Å; L317-I323 HydrophobicContact CD2-CG1 3.87Å; L317-I323 HydrophobicContact CG-CD1 4.14Å; L317-I323 HydrophobicContact CG-CG1 3.78Å; I323-V325 PolarHBondContact O-N 2.91Å; I323-T352 HydrophobicContact CD1-CG2 4.4Å; I323-L353 HydrophobicContact CD1-CD1 3.97Å; I323-H356 HydrophobicContact CD1-CB 4.1Å
324P91.3Very high90.8Very high0 Ų013.4 Ų13.40%09%0.085CC..  trans-49.7137175.5-29.236.6000111.7D131 W133 A312 R326 S327 H356D131-P324 WeakPolarHBondContact OD2-CA 3.41Å; W133-P324 HydrophobicContact CB-CG 4.46Å; A312-P324 HydrophobicContact CB-CG 4.31Å; A312-P324 WeakPolarHBondContact O-CD 3.48Å; P324-R326 PolarHBondContact O-N 3.3Å; P324-S327 VanDerWaalsContact O-CB 3.26Å; P324-S327 WeakPolarHBondContact O-CB 3.48Å; P324-S327 PolarHBondContact O-N 3.35Å; P324-H356 PolarHBondContact O-CE1 2.93Å
325V86.8Confident90.5Very high18 Ų1813.4 Ų13.411%0.1099%0.085CC..THydrogen-bonded Turntrans-53.6-31.7-163.6167.50000113.2V39 K41 D131 R136 I323 H356 L360V39-V325 HydrophobicContact CB-CG1 3.29Å; V39-V325 HydrophobicContact CG1-CG1 3.47Å; V39-V325 VanDerWaalsContact CG1-CG1 3.47Å; V39-V325 HydrophobicContact CG2-CG1 4.37Å; V39-V325 WeakPolarHBondContact O-CG1 3.26Å; K41-V325 HydrophobicContact CG-CG2 3.99Å; D131-V325 HydrophobicContact CB-CB 4.34Å; D131-V325 HydrophobicContact CB-CG2 4.39Å; D131-V325 WeakPolarHBondContact OD2-CG2 3.21Å; D131-V325 PolarHBondContact OD2-N 3.05Å; R136-V325 VanDerWaalsContact NH2-CG2 3.3Å; I323-V325 PolarHBondContact O-N 2.91Å; V325-H356 PolarHBondContact O-CE1 3.44Å; V325-H356 VanDerWaalsContact O-CE1 3.3Å; V325-L360 WeakPolarHBondContact O-CD2 3.3Å
326R82.6Confident90.3Very high36 Ų3613.4 Ų13.414%0.1369%0.085CC..THydrogen-bonded Turntrans-112.514-177.6-64.5177.4168.3-175.6-17.1113.9T37 D130 P324 L328T37-R326 PolarHBondContact O-NH2 3.21Å; T37-R326 PolarHBondContact OG1-NH2 2.91Å; D130-R326 IonicContact OD1-CZ 3.42Å; D130-R326 IonicContact OD1-NH1 2.63Å; D130-R326 PolarHBondContact OD1-NH1 3.42Å; P324-R326 PolarHBondContact O-N 3.3Å; R326-L328 PolarHBondContact O-N 3.13Å
327S90.4Very high90Very high0 Ų016.3 Ų16.30%010%0.098CC..  trans-62.5125.9-178.3-161.90000110.6S110 G111 T313 P324 G329 H356 L360S110-S327 VanDerWaalsContact O-CA 3.3Å; S110-S327 WeakPolarHBondContact O-CA 3.13Å; S110-S327 WeakPolarHBondContact O-CB 3.32Å; S110-S327 PolarHBondContact O-OG 3Å; G111-S327 WeakPolarHBondContact CA-OG 3.16Å; T313-S327 PolarHBondContact OG1-OG 3.01Å; P324-S327 VanDerWaalsContact O-CB 3.26Å; P324-S327 WeakPolarHBondContact O-CB 3.48Å; P324-S327 PolarHBondContact O-N 3.35Å; S327-G329 VanDerWaalsContact C-N 3.27Å; S327-G329 PolarHBondContact OG-N 3.07Å; S327-H356 PolarHBondContact O-CD2 3.45Å; S327-H356 PolarHBondContact O-NE2 2.84Å; S327-L360 VanDerWaalsContact O-CD1 3.32Å; S327-L360 WeakPolarHBondContact O-CD1 3.39Å
328L89.6Confident89.8Confident35 Ų3517 Ų1718%0.18310%0.102CC..  trans-88.50.9167.7-63.3174000111.7G111 R326 L360 Q445 L449G111-L328 PolarHBondContact O-N 3.22Å; R326-L328 PolarHBondContact O-N 3.13Å; L328-L360 HydrophobicContact CD2-CD1 4.07Å; L328-Q445 WeakPolarHBondContact O-CG 3.15Å; L328-Q445 PolarHBondContact O-NE2 3.29Å; L328-L449 HydrophobicContact CD1-CD2 3.97Å
329G93Very high89.6Confident0 Ų017.3 Ų17.30%010%0.103CC..  trans-63147.8-17900000112.1V309 D310 T313 S327V309-G329 WeakPolarHBondContact O-CA 3.18Å; D310-G329 WeakPolarHBondContact OD1-CA 3.28Å; T313-G329 VanDerWaalsContact OG1-C 3.3Å; T313-G329 VanDerWaalsContact OG1-CA 3.31Å; T313-G329 WeakPolarHBondContact OG1-CA 3.27Å; T313-G329 PolarHBondContact OG1-O 2.92Å; T313-G329 VanDerWaalsContact OG1-O 3.05Å; S327-G329 VanDerWaalsContact C-N 3.27Å; S327-G329 PolarHBondContact OG-N 3.07Å
330I94.1Very high89.5Confident3 Ų317.1 Ų17.12%0.01510%0.102CC..  trans-133172.9174.863.9-179.4000109.3D310 L353 L441 N442 Q445D310-I330 VanDerWaalsContact CB-O 3.28Å; D310-I330 WeakPolarHBondContact CB-O 3.39Å; D310-I330 VanDerWaalsContact CG-O 3.3Å; D310-I330 PolarHBondContact OD1-N 3.5Å; I330-L353 HydrophobicContact CB-CD2 4.24Å; I330-L353 HydrophobicContact CG2-CD2 4.49Å; I330-L441 HydrophobicContact CG2-CB 4.06Å; I330-N442 VanDerWaalsContact CD1-CA 3.45Å; I330-N442 HydrophobicContact CD1-CB 4.16Å; I330-N442 WeakPolarHBondContact CD1-OD1 3.35Å; I330-Q445 HydrophobicContact CD1-CB 4.01Å; I330-Q445 HydrophobicContact CD1-CG 4.5Å; I330-Q445 VanDerWaalsContact CD1-OE1 3.26Å; I330-Q445 HydrophobicContact CG2-CB 4.24Å
331L94.4Very high89.2Confident2 Ų219.1 Ų19.11%0.0111%0.113CC..  trans-101.9131.1178.9-61.5178.7000111.1T313 L314 L317 W335 L336 W340 V349 L353T313-L331 HydrophobicContact CG2-CD2 4.4Å; L314-L331 HydrophobicContact CB-CD2 4Å; L314-L331 HydrophobicContact CD1-CD2 3.89Å; L317-L331 HydrophobicContact CD1-CD1 3.78Å; L317-L331 HydrophobicContact CD1-CD2 4.21Å; L317-L331 HydrophobicContact CD1-CG 4.2Å; L331-W335 HydrophobicContact CD2-CE3 4.06Å; L331-L336 HydrophobicContact CB-CD1 4.38Å; L331-L336 HydrophobicContact CB-CD2 4.17Å; L331-L336 HydrophobicContact CB-CG 3.95Å; L331-L336 HydrophobicContact CD1-CD2 3.67Å; L331-L336 HydrophobicContact CD1-CG 4.31Å; L331-W340 HydrophobicContact CD1-CH2 3.79Å; L331-W340 HydrophobicContact CD1-CZ3 3.61Å; L331-V349 HydrophobicContact CD1-CG1 3.47Å; L331-V349 VanDerWaalsContact CD1-CG1 3.47Å; L331-L353 HydrophobicContact CG-CD2 4.33Å
332S90.7Very high89Confident12 Ų1221.5 Ų21.58%0.08413%0.128CC..  trans-68152.5170.473.60000111S334 W335 L336S332-S334 PolarHBondContact O-N 3.02Å; S332-S334 PolarHBondContact OG-OG 3.01Å; S332-W335 PolarHBondContact O-N 2.96Å; S332-W335 VanDerWaalsContact O-N 3.11Å; S332-W335 VanDerWaalsContact OG-CD1 3.28Å; S332-W335 VanDerWaalsContact OG-CD2 3.25Å; S332-W335 PolarHBondContact OG-N 3.17Å; S332-L336 PolarHBondContact O-N 3.39Å
333P88.8Confident88.9Confident69 Ų6923 Ų2345%0.44813%0.133SC..Hα-helixtrans-53.3-42173.5-26.333.7000112.7W335 L336 H337 V438P333-W335 VanDerWaalsContact C-N 3.35Å; P333-W335 PolarHBondContact O-N 3.27Å; P333-L336 PolarHBondContact O-N 3.4Å; P333-H337 PolarHBondContact O-CD2 3.28Å; P333-H337 PolarHBondContact O-N 3.33Å; P333-V438 HydrophobicContact CG-CG1 4.01Å
334S86.1Confident88.6Confident39 Ų3925.8 Ų25.827%0.27315%0.146SC..Hα-helixtrans-59.1-42.5177.438.60000112.8S332 H337 N338S332-S334 PolarHBondContact O-N 3.02Å; S332-S334 PolarHBondContact OG-OG 3.01Å; S334-H337 PolarHBondContact O-N 3.13Å; S334-N338 WeakPolarHBondContact O-CB 3.16Å; S334-N338 PolarHBondContact O-N 3.08Å; S334-N338 PolarHBondContact O-OD1 2.62Å
335W90.7Very high88.5Confident1 Ų127.7 Ų27.70%0.00416%0.156CC..Hα-helixtrans-70.1-39.1178.8-59.4-13.9000111.6L276 M278 T306 D310 L311 L314 L331 S332 P333 H337 N338 F339L276-W335 HydrophobicContact CD2-CH2 4.25Å; L276-W335 HydrophobicContact CD2-CZ2 3.67Å; M278-W335 HydrophobicContact SD-CZ2 4.04Å; T306-W335 HydrophobicContact CG2-CH2 4.07Å; T306-W335 HydrophobicContact CG2-CZ2 3.63Å; D310-W335 HydrophobicContact CB-CH2 3.71Å; D310-W335 HydrophobicContact CB-CZ3 3.58Å; L311-W335 HydrophobicContact CD2-CH2 4.46Å; L314-W335 HydrophobicContact CB-CE3 4.14Å; L314-W335 HydrophobicContact CB-CZ3 4Å; L314-W335 HydrophobicContact CD1-CE3 4.18Å; L314-W335 HydrophobicContact CD2-CD2 4.1Å; L314-W335 HydrophobicContact CD2-CE3 3.88Å; L314-W335 HydrophobicContact CD2-CH2 4.38Å; L314-W335 HydrophobicContact CD2-CZ3 3.99Å; L314-W335 HydrophobicContact CG-CE3 4.27Å; L314-W335 HydrophobicContact CG-CZ3 4.47Å; L331-W335 HydrophobicContact CD2-CE3 4.06Å; S332-W335 PolarHBondContact O-N 2.96Å; S332-W335 VanDerWaalsContact O-N 3.11Å; S332-W335 VanDerWaalsContact OG-CD1 3.28Å; S332-W335 VanDerWaalsContact OG-CD2 3.25Å; S332-W335 PolarHBondContact OG-N 3.17Å; P333-W335 VanDerWaalsContact C-N 3.35Å; P333-W335 PolarHBondContact O-N 3.27Å; W335-H337 VanDerWaalsContact C-N 3.28Å; W335-H337 PolarHBondContact O-N 3.03Å; W335-N338 PolarHBondContact O-N 3.26Å; W335-F339 HydrophobicContact CB-CD2 4.21Å; W335-F339 HydrophobicContact CB-CE2 4.4Å; W335-F339 WeakPolarHBondContact O-CD2 3.39Å; W335-F339 PolarHBondContact O-N 3.07Å
336L90.8Very high88.7Confident0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-57-44.1174.6-76166.6000111.6L331 S332 P333 W340 R346 L350 I434 V438L331-L336 HydrophobicContact CB-CD1 4.38Å; L331-L336 HydrophobicContact CB-CD2 4.17Å; L331-L336 HydrophobicContact CB-CG 3.95Å; L331-L336 HydrophobicContact CD1-CD2 3.67Å; L331-L336 HydrophobicContact CD1-CG 4.31Å; S332-L336 PolarHBondContact O-N 3.39Å; P333-L336 PolarHBondContact O-N 3.4Å; L336-W340 HydrophobicContact CD2-CE3 4.14Å; L336-W340 HydrophobicContact CD2-CZ3 4.38Å; L336-W340 CarbonylContact O-C 3.57Å; L336-W340 PolarHBondContact O-N 2.86Å; L336-W340 VanDerWaalsContact O-N 3.17Å; L336-R346 HydrophobicContact CB-CG 4.43Å; L336-R346 PolarHBondContact O-NE 3.47Å; L336-L350 HydrophobicContact CD1-CD1 4.32Å; L336-L350 HydrophobicContact CD1-CD2 3.99Å; L336-L350 HydrophobicContact CD1-CG 4.35Å; L336-L350 HydrophobicContact CD2-CD2 4.26Å; L336-L350 HydrophobicContact CD2-CG 4.25Å; L336-I434 HydrophobicContact CD1-CG2 4.42Å; L336-V438 HydrophobicContact CD1-CG2 3.47Å; L336-V438 VanDerWaalsContact CD1-CG2 3.47Å
337H86.8Confident89Confident60 Ų6025.9 Ų25.928%0.27815%0.147SC..Hα-helixtrans-68.6-36177.9-73.7-65.6000113.5P333 S334 W335 R346 E431P333-H337 PolarHBondContact O-CD2 3.28Å; P333-H337 PolarHBondContact O-N 3.33Å; S334-H337 PolarHBondContact O-N 3.13Å; W335-H337 VanDerWaalsContact C-N 3.28Å; W335-H337 PolarHBondContact O-N 3.03Å; H337-R346 PolarHBondContact CE1-NH1 3.18Å; H337-R346 VanDerWaalsContact CE1-NH1 3.29Å; H337-R346 PolarHBondContact ND1-NH1 2.93Å; H337-R346 VanDerWaalsContact ND1-NH1 3.1Å; H337-R346 PolarHBondContact ND1-NH2 3.01Å; H337-R346 VanDerWaalsContact ND1-NH2 3.1Å; H337-E431 IonicContact CE1-OE2 2.91Å
338N86.9Confident89Confident30 Ų3027.9 Ų27.916%0.1616%0.156CC..Hα-helixtrans-79.3-40.1-174.1-72.72.3000114T89 W283 S334 W335T89-N338 WeakPolarHBondContact CG2-ND2 3.31Å; W283-N338 HydrophobicContact CD2-CB 3.97Å; W283-N338 HydrophobicContact CE3-CB 4.2Å; W283-N338 HydrophobicContact CG-CB 4.15Å; S334-N338 WeakPolarHBondContact O-CB 3.16Å; S334-N338 PolarHBondContact O-N 3.08Å; S334-N338 PolarHBondContact O-OD1 2.62Å; W335-N338 PolarHBondContact O-N 3.26Å
339F88.3Confident89.1Confident8 Ų826.3 Ų26.34%0.03515%0.148CC..Hα-helixtrans-90-32-178.7-69.6-75.2000112.7Y49 I51 L249 M278 W283 L314 I318 W335Y49-F339 HydrophobicContact CD1-CD1 4.18Å; Y49-F339 WeakPolarHBondContact CD2-O 3.37Å; Y49-F339 AromaticContact CE1-CD1 3.73Å; Y49-F339 HydrophobicContact CE1-CD1 3.73Å; Y49-F339 HydrophobicContact CE1-CE1 4.37Å; Y49-F339 WeakPolarHBondContact CE2-O 3.47Å; I51-F339 HydrophobicContact CD1-CE1 4.28Å; L249-F339 HydrophobicContact CD1-CE1 4.33Å; L249-F339 HydrophobicContact CD1-CZ 3.96Å; L249-F339 HydrophobicContact CD2-CE1 4.19Å; L249-F339 HydrophobicContact CD2-CZ 3.84Å; M278-F339 HydrophobicContact CE-CE2 3.81Å; M278-F339 HydrophobicContact CE-CZ 3.76Å; W283-F339 HydrophobicContact CZ2-CE1 4.18Å; W283-F339 HydrophobicContact CZ2-CE2 4.15Å; W283-F339 AromaticContact CZ2-CZ 3.67Å; W283-F339 HydrophobicContact CZ2-CZ 3.67Å; W283-F339 AromaticContact NE1-CD1 3.84Å; W283-F339 AromaticContact NE1-CE1 3.52Å; W283-F339 AromaticContact NE1-CZ 3.88Å; L314-F339 HydrophobicContact CD1-CD2 3.9Å; L314-F339 HydrophobicContact CD1-CE2 3.69Å; L314-F339 HydrophobicContact CD1-CZ 4.35Å; L314-F339 HydrophobicContact CD2-CE2 4.28Å; I318-F339 HydrophobicContact CD1-CE1 4.31Å; I318-F339 HydrophobicContact CD1-CZ 4.36Å; I318-F339 HydrophobicContact CG2-CD1 3.88Å; I318-F339 HydrophobicContact CG2-CD2 4.45Å; I318-F339 HydrophobicContact CG2-CE1 4.12Å; I318-F339 HydrophobicContact CG2-CG 4.06Å; W335-F339 HydrophobicContact CB-CD2 4.21Å; W335-F339 HydrophobicContact CB-CE2 4.4Å; W335-F339 WeakPolarHBondContact O-CD2 3.39Å; W335-F339 PolarHBondContact O-N 3.07Å
340W89.4Confident89Confident2 Ų226.3 Ų26.31%0.00815%0.148CC..  trans-120.6105.4-177.7-61.3-80.4000110T48 L317 I318 L331 L336 D345 R346 V349T48-W340 PolarHBondContact OG1-NE1 2.93Å; L317-W340 HydrophobicContact CB-CH2 4.19Å; L317-W340 HydrophobicContact CB-CZ2 4.16Å; I318-W340 HydrophobicContact CG2-CH2 4.01Å; I318-W340 HydrophobicContact CG2-CZ2 4.22Å; L331-W340 HydrophobicContact CD1-CH2 3.79Å; L331-W340 HydrophobicContact CD1-CZ3 3.61Å; L336-W340 HydrophobicContact CD2-CE3 4.14Å; L336-W340 HydrophobicContact CD2-CZ3 4.38Å; L336-W340 CarbonylContact O-C 3.57Å; L336-W340 PolarHBondContact O-N 2.86Å; L336-W340 VanDerWaalsContact O-N 3.17Å; W340-D345 HydrophobicContact CB-CB 3.95Å; W340-D345 HydrophobicContact CG-CB 4.24Å; W340-R346 HydrophobicContact CB-CG 3.75Å; W340-R346 WeakPolarHBondContact O-CG 3.43Å; W340-R346 PolarHBondContact O-NE 3.04Å; W340-R346 PolarHBondContact O-NH2 2.91Å; W340-V349 HydrophobicContact CD2-CG2 3.79Å; W340-V349 HydrophobicContact CG-CG2 4.02Å; W340-V349 HydrophobicContact CH2-CG1 4Å; W340-V349 HydrophobicContact CZ2-CB 4.48Å; W340-V349 HydrophobicContact CZ2-CG1 3.93Å; W340-V349 HydrophobicContact CZ2-CG2 3.75Å; W340-V349 HydrophobicContact CZ3-CG1 4.34Å; W340-V349 VanDerWaalsContact NE1-CG2 3.26Å
341S82.1Confident88.8Confident62 Ų6228.1 Ų28.143%0.43416%0.155SC..  trans-74-34.5-171.458.90000112.9N284 R346N284-S341 WeakPolarHBondContact ND2-CB 3.46Å; S341-R346 PolarHBondContact O-NH2 3.36Å; S341-R346 VanDerWaalsContact O-NH2 3.08Å
342T86.3Confident88.5Confident60 Ų6029 Ų2937%0.36816%0.16SC..SBendtrans-96.1149.9-177.979.80000112.1H344 D345 R346T342-H344 PolarHBondContact O-N 3.06Å; T342-H344 PolarHBondContact OG1-N 3.01Å; T342-D345 PolarHBondContact O-N 2.93Å; T342-D345 PolarHBondContact OG1-N 3.31Å; T342-D345 PolarHBondContact OG1-OD2 3.36Å; T342-R346 WeakPolarHBondContact O-CG 3.3Å; T342-R346 PolarHBondContact O-N 3.03Å; T342-R346 VanDerWaalsContact O-N 3.08Å
343N86.3Confident88.4Confident43 Ų4328.5 Ų28.523%0.2316%0.156CC..Hα-helixtrans-63.8-25.7172.6-75.8-16.8000112.8R346 L347 W402 E431 I434N343-R346 PolarHBondContact OD1-NH1 3.09Å; N343-L347 VanDerWaalsContact O-CB 3.32Å; N343-L347 WeakPolarHBondContact O-CB 3.3Å; N343-L347 VanDerWaalsContact O-CG 3.32Å; N343-L347 WeakPolarHBondContact O-CG 3.4Å; N343-L347 PolarHBondContact O-N 3.07Å; N343-W402 HydrophobicContact CB-CH2 4.43Å; N343-E431 VanDerWaalsContact CG-OE1 3.28Å; N343-E431 PolarHBondContact ND2-OE1 3.38Å; N343-E431 PolarHBondContact OD1-OE1 3.14Å; N343-I434 HydrophobicContact CB-CD1 4.21Å; N343-I434 WeakPolarHBondContact OD1-CD1 3.32Å
344H86.3Confident88.4Confident62 Ų6225.2 Ų25.229%0.28714%0.135SC..Hα-helixtrans-64.1-49.3173.8-174.270.3000111.7T342 L347 K348 W402T342-H344 PolarHBondContact O-N 3.06Å; T342-H344 PolarHBondContact OG1-N 3.01Å; H344-L347 PolarHBondContact O-N 2.99Å; H344-K348 VanDerWaalsContact NE2-CE 3.33Å; H344-K348 WeakPolarHBondContact NE2-CE 3.47Å; H344-K348 WeakPolarHBondContact O-CG 3.15Å; H344-K348 PolarHBondContact O-N 3.31Å; H344-W402 HydrophobicContact CB-CH2 4.18Å; H344-W402 HydrophobicContact CB-CZ3 4.29Å; H344-W402 AromaticContact ND1-CZ3 3.83Å
345D88.7Confident88.3Confident39 Ų3924.7 Ų24.721%0.20913%0.128CC..Hα-helixtrans-67.9-41.5-179.9-57.6-39.8000111.5W340 T342 L347 K348 V349W340-D345 HydrophobicContact CB-CB 3.95Å; W340-D345 HydrophobicContact CG-CB 4.24Å; T342-D345 PolarHBondContact O-N 2.93Å; T342-D345 PolarHBondContact OG1-N 3.31Å; T342-D345 PolarHBondContact OG1-OD2 3.36Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 3.47Å; D345-K348 PolarHBondContact O-N 2.99Å; D345-V349 VanDerWaalsContact O-CG2 3.23Å; D345-V349 WeakPolarHBondContact O-CG2 3.38Å; D345-V349 PolarHBondContact O-N 2.97Å
346R90.5Very high88Confident16 Ų1624.8 Ų24.86%0.0613%0.129CC..Hα-helixtrans-58.2-45.4174.9-69.1173.9-166.51517.9111.9L336 H337 W340 S341 T342 N343 V349 L350 E431 I434L336-R346 HydrophobicContact CB-CG 4.43Å; L336-R346 PolarHBondContact O-NE 3.47Å; H337-R346 PolarHBondContact CE1-NH1 3.18Å; H337-R346 VanDerWaalsContact CE1-NH1 3.29Å; H337-R346 PolarHBondContact ND1-NH1 2.93Å; H337-R346 VanDerWaalsContact ND1-NH1 3.1Å; H337-R346 PolarHBondContact ND1-NH2 3.01Å; H337-R346 VanDerWaalsContact ND1-NH2 3.1Å; W340-R346 HydrophobicContact CB-CG 3.75Å; W340-R346 WeakPolarHBondContact O-CG 3.43Å; W340-R346 PolarHBondContact O-NE 3.04Å; W340-R346 PolarHBondContact O-NH2 2.91Å; S341-R346 PolarHBondContact O-NH2 3.36Å; S341-R346 VanDerWaalsContact O-NH2 3.08Å; T342-R346 WeakPolarHBondContact O-CG 3.3Å; T342-R346 PolarHBondContact O-N 3.03Å; T342-R346 VanDerWaalsContact O-N 3.08Å; N343-R346 PolarHBondContact OD1-NH1 3.09Å; R346-V349 PolarHBondContact O-N 3.29Å; R346-L350 WeakPolarHBondContact O-CB 3.16Å; R346-L350 VanDerWaalsContact O-CG 3.31Å; R346-L350 WeakPolarHBondContact O-CG 3.27Å; R346-L350 PolarHBondContact O-N 3.44Å; R346-E431 IonicContact NH1-OE1 3.7Å; R346-E431 PolarHBondContact NH1-OE1 2.84Å; R346-I434 HydrophobicContact CB-CD1 3.82Å; R346-I434 HydrophobicContact CB-CG1 4.35Å
347L89.8Confident87.7Confident0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-70.6-33.8179.7-75.5168.5000112.5N343 H344 D345 L350 Y351 I399 W402 L403 L433 I434N343-L347 VanDerWaalsContact O-CB 3.32Å; N343-L347 WeakPolarHBondContact O-CB 3.3Å; N343-L347 VanDerWaalsContact O-CG 3.32Å; N343-L347 WeakPolarHBondContact O-CG 3.4Å; N343-L347 PolarHBondContact O-N 3.07Å; H344-L347 PolarHBondContact O-N 2.99Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 3.47Å; L347-L350 PolarHBondContact O-N 3.25Å; L347-Y351 VanDerWaalsContact O-CB 3.29Å; L347-Y351 WeakPolarHBondContact O-CB 3.36Å; L347-Y351 PolarHBondContact O-N 2.86Å; L347-I399 HydrophobicContact CD2-CG1 4.11Å; L347-W402 HydrophobicContact CB-CE3 4.28Å; L347-W402 HydrophobicContact CB-CZ3 4.22Å; L347-W402 HydrophobicContact CD1-CD2 3.43Å; L347-W402 VanDerWaalsContact CD1-CD2 3.43Å; L347-W402 HydrophobicContact CD1-CE3 3.31Å; L347-W402 HydrophobicContact CD1-CG 4.15Å; L347-W402 HydrophobicContact CD1-CH2 3.77Å; L347-W402 HydrophobicContact CD1-CZ2 3.87Å; L347-W402 HydrophobicContact CD1-CZ3 3.5Å; L347-W402 VanDerWaalsContact CD1-CZ3 3.5Å; L347-W402 HydrophobicContact CG-CE3 4.41Å; L347-W402 HydrophobicContact CG-CZ3 4.47Å; L347-L403 HydrophobicContact CB-CD2 4.27Å; L347-L433 HydrophobicContact CD1-CD2 4.34Å; L347-L433 HydrophobicContact CD2-CB 4.35Å; L347-L433 HydrophobicContact CD2-CD2 3.89Å; L347-L433 HydrophobicContact CD2-CG 3.91Å; L347-I434 HydrophobicContact CD2-CG1 3.71Å; L347-I434 HydrophobicContact CG-CD1 4.26Å; L347-I434 HydrophobicContact CG-CG1 3.82Å
348K89.4Confident87.3Confident42 Ų4222.3 Ų22.318%0.18312%0.118CC..Hα-helixtrans-60.5-44170.4-79.6-170.4173.7-164.20112E46 T48 H344 D345 Y351 T352 L403E46-K348 IonicContact OE1-NZ 3.33Å; E46-K348 PolarHBondContact OE1-NZ 3.43Å; E46-K348 IonicContact OE2-NZ 3.31Å; E46-K348 PolarHBondContact OE2-NZ 3.06Å; T48-K348 HydrophobicContact CG2-CB 3.96Å; T48-K348 HydrophobicContact CG2-CD 3.84Å; H344-K348 VanDerWaalsContact NE2-CE 3.33Å; H344-K348 WeakPolarHBondContact NE2-CE 3.47Å; H344-K348 WeakPolarHBondContact O-CG 3.15Å; H344-K348 PolarHBondContact O-N 3.31Å; D345-K348 PolarHBondContact O-N 2.99Å; K348-Y351 WeakPolarHBondContact O-CB 3.4Å; K348-Y351 PolarHBondContact O-N 3.5Å; K348-T352 PolarHBondContact O-N 3.09Å; K348-T352 VanDerWaalsContact O-N 3.1Å; K348-T352 PolarHBondContact O-OG1 3.35Å; K348-L403 HydrophobicContact CG-CD2 3.84Å
349V91Very high86.8Confident2 Ų224 Ų241%0.01212%0.122CC..Hα-helixtrans-68.7-43.5179.8175.40000110.9T48 L317 L331 W340 D345 R346 Y351 T352 L353T48-V349 HydrophobicContact CG2-CG2 4.42Å; T48-V349 WeakPolarHBondContact OG1-CG2 3.48Å; L317-V349 HydrophobicContact CD1-CG1 3.84Å; L317-V349 HydrophobicContact CD2-CG1 4.39Å; L331-V349 HydrophobicContact CD1-CG1 3.47Å; L331-V349 VanDerWaalsContact CD1-CG1 3.47Å; W340-V349 HydrophobicContact CD2-CG2 3.79Å; W340-V349 HydrophobicContact CG-CG2 4.02Å; W340-V349 HydrophobicContact CH2-CG1 4Å; W340-V349 HydrophobicContact CZ2-CB 4.48Å; W340-V349 HydrophobicContact CZ2-CG1 3.93Å; W340-V349 HydrophobicContact CZ2-CG2 3.75Å; W340-V349 HydrophobicContact CZ3-CG1 4.34Å; W340-V349 VanDerWaalsContact NE1-CG2 3.26Å; D345-V349 VanDerWaalsContact O-CG2 3.23Å; D345-V349 WeakPolarHBondContact O-CG2 3.38Å; D345-V349 PolarHBondContact O-N 2.97Å; R346-V349 PolarHBondContact O-N 3.29Å; V349-Y351 VanDerWaalsContact C-N 3.28Å; V349-Y351 PolarHBondContact O-N 3.38Å; V349-T352 WeakPolarHBondContact O-CB 3.28Å; V349-T352 PolarHBondContact O-N 3.39Å; V349-L353 WeakPolarHBondContact O-CB 3.41Å; V349-L353 PolarHBondContact O-N 2.96Å
350L92.1Very high86.3Confident0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-63.5-34.5175.1-74.6179.7000112.5L336 R346 L347 L353 I354 I434 T437 V438 L441L336-L350 HydrophobicContact CD1-CD1 4.32Å; L336-L350 HydrophobicContact CD1-CD2 3.99Å; L336-L350 HydrophobicContact CD1-CG 4.35Å; L336-L350 HydrophobicContact CD2-CD2 4.26Å; L336-L350 HydrophobicContact CD2-CG 4.25Å; R346-L350 WeakPolarHBondContact O-CB 3.16Å; R346-L350 VanDerWaalsContact O-CG 3.31Å; R346-L350 WeakPolarHBondContact O-CG 3.27Å; R346-L350 PolarHBondContact O-N 3.44Å; L347-L350 PolarHBondContact O-N 3.25Å; L350-L353 HydrophobicContact CD2-CD2 4.44Å; L350-L353 PolarHBondContact O-N 3.21Å; L350-I354 WeakPolarHBondContact O-CB 3.04Å; L350-I354 PolarHBondContact O-N 3.38Å; L350-I434 HydrophobicContact CD1-CB 4.14Å; L350-I434 HydrophobicContact CD1-CG1 4.04Å; L350-I434 HydrophobicContact CD1-CG2 3.99Å; L350-T437 HydrophobicContact CB-CG2 4.02Å; L350-T437 HydrophobicContact CD1-CG2 3.96Å; L350-T437 HydrophobicContact CD2-CG2 4.04Å; L350-T437 HydrophobicContact CG-CG2 4.24Å; L350-V438 HydrophobicContact CD1-CG2 4.32Å; L350-V438 HydrophobicContact CD2-CG2 4.08Å; L350-L441 HydrophobicContact CD2-CD1 4.13Å
351Y88.5Confident85.4Confident42 Ų4225.7 Ų25.717%0.16513%0.132CC..Hα-helixtrans-60.1-50.4171.1174.4-106.5000111.2L347 K348 V349 L353 I354 Q355 L396 I399 I400 L403L347-Y351 VanDerWaalsContact O-CB 3.29Å; L347-Y351 WeakPolarHBondContact O-CB 3.36Å; L347-Y351 PolarHBondContact O-N 2.86Å; K348-Y351 WeakPolarHBondContact O-CB 3.4Å; K348-Y351 PolarHBondContact O-N 3.5Å; V349-Y351 VanDerWaalsContact C-N 3.28Å; V349-Y351 PolarHBondContact O-N 3.38Å; Y351-L353 VanDerWaalsContact C-N 3.29Å; Y351-L353 PolarHBondContact O-N 3.03Å; Y351-I354 PolarHBondContact O-N 2.84Å; Y351-Q355 HydrophobicContact CE1-CG 4.44Å; Y351-Q355 HydrophobicContact CE2-CG 4.25Å; Y351-Q355 WeakPolarHBondContact O-CG 3.25Å; Y351-Q355 PolarHBondContact O-N 2.79Å; Y351-Q355 PolarHBondContact OH-NE2 3.2Å; Y351-L396 HydrophobicContact CD2-CD1 3.69Å; Y351-L396 HydrophobicContact CE2-CD1 3.72Å; Y351-I399 HydrophobicContact CD2-CG2 4.2Å; Y351-I399 HydrophobicContact CG-CG2 4.46Å; Y351-I400 HydrophobicContact CD2-CG1 4.06Å; Y351-I400 HydrophobicContact CE2-CD1 4.01Å; Y351-I400 HydrophobicContact CE2-CG1 3.55Å; Y351-L403 HydrophobicContact CG-CD1 4.31Å
352T88.1Confident84.5Confident20 Ų2025.8 Ų25.812%0.12314%0.142CC..Hα-helixtrans-56.9-43.2175.2-58.90000111.6V45 L317 I323 K348 V349 Q355 H356V45-T352 HydrophobicContact CG1-CG2 4.07Å; V45-T352 HydrophobicContact CG2-CG2 4.26Å; L317-T352 HydrophobicContact CD2-CG2 4.34Å; I323-T352 HydrophobicContact CD1-CG2 4.4Å; K348-T352 PolarHBondContact O-N 3.09Å; K348-T352 VanDerWaalsContact O-N 3.1Å; K348-T352 PolarHBondContact O-OG1 3.35Å; V349-T352 WeakPolarHBondContact O-CB 3.28Å; V349-T352 PolarHBondContact O-N 3.39Å; T352-Q355 PolarHBondContact O-N 3.18Å; T352-H356 WeakPolarHBondContact O-CB 3.23Å; T352-H356 PolarHBondContact O-N 2.95Å
353L90.4Very high83.1Confident1 Ų128.7 Ų28.71%0.00515%0.152CC..Hα-helixtrans-68.3-41.4179.9-175.357.8000112.6T313 I323 I330 L331 V349 L350 Y351 Q355 H356 V357 L441T313-L353 HydrophobicContact CG2-CD1 3.79Å; I323-L353 HydrophobicContact CD1-CD1 3.97Å; I330-L353 HydrophobicContact CB-CD2 4.24Å; I330-L353 HydrophobicContact CG2-CD2 4.49Å; L331-L353 HydrophobicContact CG-CD2 4.33Å; V349-L353 WeakPolarHBondContact O-CB 3.41Å; V349-L353 PolarHBondContact O-N 2.96Å; L350-L353 HydrophobicContact CD2-CD2 4.44Å; L350-L353 PolarHBondContact O-N 3.21Å; Y351-L353 VanDerWaalsContact C-N 3.29Å; Y351-L353 PolarHBondContact O-N 3.03Å; L353-Q355 VanDerWaalsContact C-N 3.32Å; L353-Q355 PolarHBondContact O-N 3.31Å; L353-H356 WeakPolarHBondContact O-CB 3.24Å; L353-H356 PolarHBondContact O-N 3.4Å; L353-V357 WeakPolarHBondContact O-CG2 3.43Å; L353-V357 PolarHBondContact O-N 3.4Å; L353-L441 HydrophobicContact CD2-CD1 3.63Å; L353-L441 HydrophobicContact CG-CD1 3.91Å
354I87.6Confident81.7Confident0 Ų026.9 Ų26.90%014%0.142CC..Hα-helixtrans-61.8-41.5173.9-86.7170.9000111L350 Y351 H356 V357 G358 Y392 L396 I399 T437 L441L350-I354 WeakPolarHBondContact O-CB 3.04Å; L350-I354 PolarHBondContact O-N 3.38Å; Y351-I354 PolarHBondContact O-N 2.84Å; I354-H356 VanDerWaalsContact C-N 3.35Å; I354-V357 PolarHBondContact O-N 2.88Å; I354-G358 PolarHBondContact O-N 3.44Å; I354-Y392 HydrophobicContact CB-CE2 4.48Å; I354-Y392 HydrophobicContact CG2-CD2 4.37Å; I354-Y392 HydrophobicContact CG2-CE2 3.57Å; I354-Y392 WeakPolarHBondContact O-CE2 3.29Å; I354-Y392 PolarHBondContact O-OH 3.46Å; I354-L396 HydrophobicContact CG2-CB 4.12Å; I354-L396 HydrophobicContact CG2-CD1 3.73Å; I354-L396 HydrophobicContact CG2-CD2 3.77Å; I354-L396 HydrophobicContact CG2-CG 4.09Å; I354-I399 HydrophobicContact CD1-CD1 3.32Å; I354-T437 HydrophobicContact CD1-CG2 3.35Å; I354-T437 HydrophobicContact CG1-CG2 4.02Å; I354-L441 HydrophobicContact CG1-CD1 4.38Å; I354-L441 HydrophobicContact CG1-CD2 4.08Å; I354-L441 HydrophobicContact CG1-CG 4.45Å
355Q83.4Confident80.1Confident29 Ų2926.6 Ų26.614%0.13615%0.151CC..Hα-helixtrans-64.9-41.5176.5-72.7-168.8-34.300111.7Y351 T352 L353 G358 R359Y351-Q355 HydrophobicContact CE1-CG 4.44Å; Y351-Q355 HydrophobicContact CE2-CG 4.25Å; Y351-Q355 WeakPolarHBondContact O-CG 3.25Å; Y351-Q355 PolarHBondContact O-N 2.79Å; Y351-Q355 PolarHBondContact OH-NE2 3.2Å; T352-Q355 PolarHBondContact O-N 3.18Å; L353-Q355 VanDerWaalsContact C-N 3.32Å; L353-Q355 PolarHBondContact O-N 3.31Å; Q355-G358 PolarHBondContact O-N 3.22Å; Q355-R359 WeakPolarHBondContact O-CG 3.4Å; Q355-R359 PolarHBondContact O-N 3.37Å
356H85.6Confident78.4Confident3 Ų326.5 Ų26.51%0.01415%0.148CC..Hα-helixtrans-57.7-54.1174.5179.669.7000111.3I42 I323 P324 V325 S327 T352 L353 I354 G358 R359 L360I42-H356 HydrophobicContact CD1-CB 3.86Å; I323-H356 HydrophobicContact CD1-CB 4.1Å; P324-H356 PolarHBondContact O-CE1 2.93Å; V325-H356 PolarHBondContact O-CE1 3.44Å; V325-H356 VanDerWaalsContact O-CE1 3.3Å; S327-H356 PolarHBondContact O-CD2 3.45Å; S327-H356 PolarHBondContact O-NE2 2.84Å; T352-H356 WeakPolarHBondContact O-CB 3.23Å; T352-H356 PolarHBondContact O-N 2.95Å; L353-H356 WeakPolarHBondContact O-CB 3.24Å; L353-H356 PolarHBondContact O-N 3.4Å; I354-H356 VanDerWaalsContact C-N 3.35Å; H356-G358 VanDerWaalsContact C-N 3.26Å; H356-G358 PolarHBondContact O-N 2.89Å; H356-R359 WeakPolarHBondContact O-CB 3.41Å; H356-R359 PolarHBondContact O-N 3.41Å; H356-L360 PolarHBondContact O-N 2.94Å
357V84Confident76.3Confident7 Ų730.2 Ų30.24%0.04218%0.177CC..Hα-helixtrans-60.6-36.7177.4171.30000111.8L353 I354 R359 L360 S361 W384 L441 I444L353-V357 WeakPolarHBondContact O-CG2 3.43Å; L353-V357 PolarHBondContact O-N 3.4Å; I354-V357 PolarHBondContact O-N 2.88Å; V357-R359 VanDerWaalsContact C-N 3.33Å; V357-R359 PolarHBondContact O-N 2.92Å; V357-L360 WeakPolarHBondContact O-CB 3.22Å; V357-L360 PolarHBondContact O-N 3.32Å; V357-S361 PolarHBondContact O-N 3.23Å; V357-W384 HydrophobicContact CG1-CH2 3.83Å; V357-W384 HydrophobicContact CG1-CZ3 3.51Å; V357-W384 WeakPolarHBondContact O-CH2 3.35Å; V357-L441 HydrophobicContact CB-CD2 4.22Å; V357-L441 HydrophobicContact CG1-CD2 4.36Å; V357-L441 HydrophobicContact CG2-CD2 3.93Å; V357-I444 HydrophobicContact CG1-CD1 4.11Å; V357-I444 HydrophobicContact CG1-CG2 3.82Å
358G79.5Confident74Confident0 Ų035.8 Ų35.80%021%0.206CC..Hα-helixtrans-56.8-42.2172.400000113.2I354 Q355 H356 S361 C364 Y392I354-G358 PolarHBondContact O-N 3.44Å; Q355-G358 PolarHBondContact O-N 3.22Å; H356-G358 VanDerWaalsContact C-N 3.26Å; H356-G358 PolarHBondContact O-N 2.89Å; G358-S361 WeakPolarHBondContact O-CB 3.48Å; G358-S361 PolarHBondContact O-N 3.14Å; G358-S361 PolarHBondContact O-OG 3.45Å; G358-C364 WeakPolarHBondContact O-CB 3.29Å; G358-C364 PolarHBondContact O-N 3.44Å; G358-Y392 VanDerWaalsContact CA-OH 3.27Å; G358-Y392 WeakPolarHBondContact CA-OH 3.39Å
359R76.1Confident71.5Confident66 Ų6638.7 Ų38.725%0.24922%0.219CC..Hα-helixtrans-68.8-36.5178.2-69.5170.2-176.7-1481.3112.9E40 K41 I42 Q355 H356 V357 S361 G362 A365E40-R359 PolarHBondContact O-NH1 3.32Å; K41-R359 PolarHBondContact O-NH1 3.04Å; K41-R359 VanDerWaalsContact O-NH1 3.08Å; I42-R359 VanDerWaalsContact CA-NH1 3.28Å; Q355-R359 WeakPolarHBondContact O-CG 3.4Å; Q355-R359 PolarHBondContact O-N 3.37Å; H356-R359 WeakPolarHBondContact O-CB 3.41Å; H356-R359 PolarHBondContact O-N 3.41Å; V357-R359 VanDerWaalsContact C-N 3.33Å; V357-R359 PolarHBondContact O-N 2.92Å; R359-S361 PolarHBondContact O-N 2.96Å; R359-S361 VanDerWaalsContact O-N 3.14Å; R359-G362 PolarHBondContact O-N 3.11Å; R359-A365 HydrophobicContact CG-CB 3.89Å
360L76.2Confident69.2Low42 Ų4243.9 Ų43.922%0.2226%0.255CS..Hα-helixtrans-58.5-26.7176.1-59.6175.6000112.1V325 S327 L328 H356 V357 G362V325-L360 WeakPolarHBondContact O-CD2 3.3Å; S327-L360 VanDerWaalsContact O-CD1 3.32Å; S327-L360 WeakPolarHBondContact O-CD1 3.39Å; L328-L360 HydrophobicContact CD2-CD1 4.07Å; H356-L360 PolarHBondContact O-N 2.94Å; V357-L360 WeakPolarHBondContact O-CB 3.22Å; V357-L360 PolarHBondContact O-N 3.32Å; L360-G362 VanDerWaalsContact C-N 3.29Å; L360-G362 PolarHBondContact O-N 3.34Å
361S71.8Confident66.6Low4 Ų449.8 Ų49.83%0.02829%0.286CS..THydrogen-bonded Turntrans-76.2-9.7176.776.60000115.4V357 G358 R359 C364 S381V357-S361 PolarHBondContact O-N 3.23Å; G358-S361 WeakPolarHBondContact O-CB 3.48Å; G358-S361 PolarHBondContact O-N 3.14Å; G358-S361 PolarHBondContact O-OG 3.45Å; R359-S361 PolarHBondContact O-N 2.96Å; R359-S361 VanDerWaalsContact O-N 3.14Å; S361-C364 WeakPolarHBondContact OG-CB 3.38Å; S361-C364 PolarHBondContact OG-N 2.78Å; S361-C364 PolarHBondContact OG-SG 2.9Å; S361-S381 WeakPolarHBondContact CB-OG 3.21Å
362G62Low64.5Low63 Ų6354.3 Ų54.365%0.64931%0.309SS*.SBendtrans91.1-25178.300000115.5R359 L360R359-G362 PolarHBondContact O-N 3.11Å; L360-G362 VanDerWaalsContact C-N 3.29Å; L360-G362 PolarHBondContact O-N 3.34Å
363E57.4Low62.1Low122 Ų12259.2 Ų59.257%0.5733%0.33SS*.SBendtrans-139.7-5.3-173.1-64.4-168.1173.600115.4A365E363-A365 VanDerWaalsContact C-N 3.35Å; E363-A365 PolarHBondContact O-N 3.46Å
364C57.2Low59.9Low4 Ų462.5 Ų62.53%0.02735%0.347CS..  trans-92.930-173.7-60.70000114.4G358 S361 C379 Y392G358-C364 WeakPolarHBondContact O-CB 3.29Å; G358-C364 PolarHBondContact O-N 3.44Å; S361-C364 WeakPolarHBondContact OG-CB 3.38Å; S361-C364 PolarHBondContact OG-N 2.78Å; S361-C364 PolarHBondContact OG-SG 2.9Å; C364-C379 WeakPolarHBondContact CA-SG 3.41Å; C364-C379 HydrophobicContact CB-CB 3.79Å; C364-C379 WeakPolarHBondContact CB-SG 3.23Å; C364-C379 PolarHBondContact N-SG 2.78Å; C364-C379 WeakPolarHBondContact SG-CB 2.87Å; C364-C379 CovalentContact SG-SG 2.01Å; C364-C379 PolarHBondContact SG-SG 3.09Å; C364-Y392 HydrophobicContact CB-CE1 3.98Å; C364-Y392 PolarHBondContact O-OH 3.25Å
365A53Low57.7Low57 Ų5768.6 Ų68.647%0.47138%0.376SS..PPolyproline II helixtrans-90.4126.717700000111.5R359 E363R359-A365 HydrophobicContact CG-CB 3.89Å; E363-A365 VanDerWaalsContact C-N 3.35Å; E363-A365 PolarHBondContact O-N 3.46Å
366F53.1Low55.9Low36 Ų3672.2 Ų72.216%0.15839%0.389CS..PPolyproline II helixtrans-79.6133.8170-78.6-105.3000110.4L374 L396F366-L374 HydrophobicContact CD1-CD2 4.48Å; F366-L396 HydrophobicContact CD2-CD2 3.37Å; F366-L396 HydrophobicContact CD2-CG 4.34Å; F366-L396 HydrophobicContact CE2-CD2 3.11Å; F366-L396 HydrophobicContact CE2-CG 3.98Å; F366-L396 HydrophobicContact CG-CD2 4.39Å; F366-L396 HydrophobicContact CZ-CD2 3.93Å; F366-L396 HydrophobicContact CZ-CG 4.35Å
367S46.1Very low54.4Low94 Ų9480.4 Ų80.466%0.65743%0.425SS*.PPolyproline II helixtrans-100.4125.216072.60000109K369S367-K369 PolarHBondContact O-N 3.16Å
368L42.3Very low52.9Low118 Ų11886.1 Ų86.162%0.61846%0.455SS*.PPolyproline II helixtrans-60.7117.1162.3-86.6133.8000108.2
369K37Very low52Low103 Ų10386.6 Ų86.645%0.44846%0.458SS..PPolyproline II helixtrans-73.3155.5165.1-82.3-171.8179.9175.60110.3S367 N371 H372 E375S367-K369 PolarHBondContact O-N 3.16Å; K369-N371 PolarHBondContact O-N 3.06Å; K369-H372 PolarHBondContact O-N 2.9Å; K369-H372 VanDerWaalsContact O-N 3.11Å; K369-E375 VanDerWaalsContact CE-OE2 3.27Å; K369-E375 WeakPolarHBondContact CE-OE2 3.27Å; K369-E375 IonicContact NZ-OE2 3.61Å; K369-E375 PolarHBondContact NZ-OE2 3.36Å
370S41.4Very low51.1Low110 Ų11089.2 Ų89.277%0.76948%0.476SS*.THydrogen-bonded Turntrans-53.1-22.6179.758.10000115
371N38.8Very low50.4Low124 Ų12487.7 Ų87.766%0.66347%0.469SS*.THydrogen-bonded Turntrans-103.314.4-175.5-65.57.5000113.5K369 E373K369-N371 PolarHBondContact O-N 3.06Å; N371-E373 PolarHBondContact O-N 3.22Å
372H43.6Very low49.8Very low138 Ų13894 Ų9464%0.63950%0.503SS*.SBendtrans58.17.3-178.7-63.4-54.3000116.1K369K369-H372 PolarHBondContact O-N 2.9Å; K369-H372 VanDerWaalsContact O-N 3.11Å
373E36.9Very low49.7Very low123 Ų12393.2 Ų93.258%0.57549%0.485SS*.  trans-76.2120.6166.4-72.4-176.4160.300110N371 E375N371-E373 PolarHBondContact O-N 3.22Å; E373-E375 PolarHBondContact O-N 2.86Å
374L44.2Very low50.2Low69 Ų6988 Ų8836%0.36146%0.46SS..  trans-82.2103.2176.2-68.1151.5000108.6F366 I400F366-L374 HydrophobicContact CD1-CD2 4.48Å; L374-I400 HydrophobicContact CD1-CB 4.24Å; L374-I400 HydrophobicContact CD1-CD1 4.39Å; L374-I400 HydrophobicContact CD1-CG2 3.29Å; L374-I400 HydrophobicContact CD2-CD1 4.03Å; L374-I400 HydrophobicContact CD2-CG2 4.23Å; L374-I400 HydrophobicContact CG-CG2 4.36Å
375E43Very low50.9Low129 Ų12990 Ų9060%0.60347%0.474SS*.  trans-88.3124.7174.9-161.4175.5-157.400110.7K369 E373 K377K369-E375 VanDerWaalsContact CE-OE2 3.27Å; K369-E375 WeakPolarHBondContact CE-OE2 3.27Å; K369-E375 IonicContact NZ-OE2 3.61Å; K369-E375 PolarHBondContact NZ-OE2 3.36Å; E373-E375 PolarHBondContact O-N 2.86Å; E375-K377 PolarHBondContact O-N 3.14Å
376Y44.5Very low51.8Low105 Ų10595.4 Ų95.441%0.41249%0.489SS..  trans-76.2111.6177.7179.8-112.5000110.6N378 N393Y376-N378 HydrophobicContact CE1-CB 4.28Å; Y376-N378 WeakPolarHBondContact CE1-OD1 3.29Å; Y376-N378 VanDerWaalsContact CZ-OD1 3.31Å; Y376-N378 PolarHBondContact OH-OD1 3.28Å; Y376-N393 HydrophobicContact CE2-CB 3.91Å; Y376-N393 PolarHBondContact OH-ND2 3.32Å
377K53.7Low53Low174 Ų17499.5 Ų99.576%0.75751%0.509SS*.  trans-83.6122.8153.5-83.4-173.8177.1-179.50107.2E375 C379E375-K377 PolarHBondContact O-N 3.14Å; K377-C379 VanDerWaalsContact C-N 3.26Å; K377-C379 PolarHBondContact O-N 2.8Å
378N54.3Low54.6Low128 Ų12897.9 Ų97.968%0.68449%0.488SS*.  trans-52.597.8158.6-92.8-39.8000107.2Y376Y376-N378 HydrophobicContact CE1-CB 4.28Å; Y376-N378 WeakPolarHBondContact CE1-OD1 3.29Å; Y376-N378 VanDerWaalsContact CZ-OD1 3.31Å; Y376-N378 PolarHBondContact OH-OD1 3.28Å
379C59.1Low56.3Low10 Ų1092.8 Ų92.87%0.06846%0.463CS..  trans-78.7133.2176.6176.70000108.8C364 K377 T389C364-C379 WeakPolarHBondContact CA-SG 3.41Å; C364-C379 HydrophobicContact CB-CB 3.79Å; C364-C379 WeakPolarHBondContact CB-SG 3.23Å; C364-C379 PolarHBondContact N-SG 2.78Å; C364-C379 WeakPolarHBondContact SG-CB 2.87Å; C364-C379 CovalentContact SG-SG 2.01Å; C364-C379 PolarHBondContact SG-SG 3.09Å; K377-C379 VanDerWaalsContact C-N 3.26Å; K377-C379 PolarHBondContact O-N 2.8Å; C379-T389 WeakPolarHBondContact O-CG2 3.25Å
380I57.9Low58.3Low120 Ų12091.5 Ų91.562%0.61546%0.463SS*.  trans-104.4109.9164.8-60173.1000106.2
381S60.9Low60.3Low11 Ų1191 Ų918%0.07745%0.447CS..  trans-76.9128.5171.4175.10000109.3S361 V383 W384S361-S381 WeakPolarHBondContact CB-OG 3.21Å; S381-V383 PolarHBondContact O-N 3.2Å; S381-V383 PolarHBondContact OG-N 2.92Å; S381-W384 VanDerWaalsContact CB-CE2 3.45Å; S381-W384 VanDerWaalsContact OG-CD2 3.26Å; S381-W384 PolarHBondContact OG-N 3.01Å; S381-W384 VanDerWaalsContact OG-N 3.09Å
382N58.7Low62.5Low137 Ų13785 Ų8573%0.73342%0.415SS*.SBendtrans-77.6-8.1167.6-68.3-35.6000112.2
383V61Low64.3Low45 Ų4578.9 Ų78.927%0.27339%0.387SS..SBendtrans-101.6-37-168.5-177.30000112.2S381 K451S381-V383 PolarHBondContact O-N 3.2Å; S381-V383 PolarHBondContact OG-N 2.92Å; V383-K451 PolarHBondContact O-NZ 3.32Å
384W68.6Low66.4Low13 Ų1377.1 Ų77.15%0.04938%0.381CS..SBendtrans-128167.1-178.16063.1000113.2V357 S381 R388 T389 Y392 I444V357-W384 HydrophobicContact CG1-CH2 3.83Å; V357-W384 HydrophobicContact CG1-CZ3 3.51Å; V357-W384 WeakPolarHBondContact O-CH2 3.35Å; S381-W384 VanDerWaalsContact CB-CE2 3.45Å; S381-W384 VanDerWaalsContact OG-CD2 3.26Å; S381-W384 PolarHBondContact OG-N 3.01Å; S381-W384 VanDerWaalsContact OG-N 3.09Å; W384-R388 HydrophobicContact CB-CB 4.39Å; W384-R388 HydrophobicContact CG-CB 4.25Å; W384-T389 PolarHBondContact NE1-OG1 3.48Å; W384-Y392 HydrophobicContact CH2-CD2 4.37Å; W384-Y392 HydrophobicContact CH2-CE2 4.34Å; W384-Y392 HydrophobicContact CZ2-CD2 4.1Å; W384-Y392 HydrophobicContact CZ2-CE2 4.39Å; W384-Y392 HydrophobicContact CZ2-CG 4.26Å; W384-I444 HydrophobicContact CD2-CD1 4.29Å; W384-I444 HydrophobicContact CD2-CG1 4.41Å; W384-I444 HydrophobicContact CE3-CD1 4.09Å; W384-I444 HydrophobicContact CE3-CG1 4.19Å; W384-I444 HydrophobicContact CE3-CG2 3.58Å; W384-I444 HydrophobicContact CH2-CD1 4.48Å; W384-I444 HydrophobicContact CZ3-CD1 4.2Å; W384-I444 HydrophobicContact CZ3-CG2 3.87Å
385S71.1Confident68.4Low47 Ų4774.5 Ų74.533%0.32937%0.367SS..  trans-66.4155.3-176.166.60000114.1E387 R388 T389S385-E387 VanDerWaalsContact C-N 3.28Å; S385-E387 PolarHBondContact O-N 3.39Å; S385-R388 PolarHBondContact O-N 3.36Å; S385-R388 PolarHBondContact OG-N 2.77Å; S385-T389 PolarHBondContact O-N 3.11Å; S385-T389 PolarHBondContact O-OG1 3.1Å
386E72.7Confident70.3Confident169 Ų16968.3 Ų68.379%0.7934%0.338SS*.Hα-helixtrans-54.3-41.8175.7-170.8176.5-176.300112.5R388 T389 T390E386-R388 VanDerWaalsContact C-N 3.29Å; E386-R388 PolarHBondContact O-N 3.44Å; E386-T389 VanDerWaalsContact O-CB 3.27Å; E386-T389 WeakPolarHBondContact O-CB 3.43Å; E386-T389 PolarHBondContact O-N 2.98Å; E386-T389 VanDerWaalsContact O-N 3.13Å; E386-T390 PolarHBondContact O-N 2.95Å; E386-T390 PolarHBondContact O-OG1 2.93Å
387E77.8Confident71.9Confident122 Ų12266.4 Ų66.457%0.5734%0.335SS*.Hα-helixtrans-57.4-40.5175.9-168.9-16014800112.6S385 T390 K391S385-E387 VanDerWaalsContact C-N 3.28Å; S385-E387 PolarHBondContact O-N 3.39Å; E387-T390 WeakPolarHBondContact O-CB 3.5Å; E387-T390 PolarHBondContact O-N 2.91Å; E387-K391 PolarHBondContact O-N 3.37Å; E387-K391 VanDerWaalsContact O-N 3.08Å; E387-K391 IonicContact OE1-NZ 2.76Å; E387-K391 PolarHBondContact OE1-NZ 3.02Å
388R79.5Confident73.3Confident60 Ų6062.3 Ų62.323%0.22632%0.319CS..Hα-helixtrans-73.6-34.2178-75.6179.6171.4-159.8-7.9111.9W384 S385 E386 T390 K391 Y392 G443 E447W384-R388 HydrophobicContact CB-CB 4.39Å; W384-R388 HydrophobicContact CG-CB 4.25Å; S385-R388 PolarHBondContact O-N 3.36Å; S385-R388 PolarHBondContact OG-N 2.77Å; E386-R388 VanDerWaalsContact C-N 3.29Å; E386-R388 PolarHBondContact O-N 3.44Å; R388-T390 VanDerWaalsContact C-N 3.29Å; R388-T390 PolarHBondContact O-N 2.82Å; R388-K391 PolarHBondContact O-N 2.8Å; R388-Y392 WeakPolarHBondContact O-CB 3.09Å; R388-Y392 PolarHBondContact O-N 3.21Å; R388-G443 VanDerWaalsContact CZ-C 3.4Å; R388-G443 VanDerWaalsContact CZ-O 3.31Å; R388-G443 PolarHBondContact NH1-O 3.38Å; R388-G443 VanDerWaalsContact NH2-C 3.27Å; R388-G443 VanDerWaalsContact NH2-CA 3.29Å; R388-G443 PolarHBondContact NH2-O 2.96Å; R388-G443 VanDerWaalsContact NH2-O 3.1Å; R388-E447 IonicContact CZ-OE2 2.72Å; R388-E447 IonicContact NE-OE2 2.77Å; R388-E447 VanDerWaalsContact NH1-CB 3.27Å; R388-E447 IonicContact NH1-OE2 2.61Å; R388-E447 PolarHBondContact NH1-OE2 3.31Å
389T77Confident74.7Confident12 Ų1256.2 Ų56.27%0.07429%0.286CS..Hα-helixtrans-58.4-43.3169.9-57.60000110.8C379 W384 S385 E386 Y392 N393C379-T389 WeakPolarHBondContact O-CG2 3.25Å; W384-T389 PolarHBondContact NE1-OG1 3.48Å; S385-T389 PolarHBondContact O-N 3.11Å; S385-T389 PolarHBondContact O-OG1 3.1Å; E386-T389 VanDerWaalsContact O-CB 3.27Å; E386-T389 WeakPolarHBondContact O-CB 3.43Å; E386-T389 PolarHBondContact O-N 2.98Å; E386-T389 VanDerWaalsContact O-N 3.13Å; T389-Y392 PolarHBondContact O-N 3.44Å; T389-N393 WeakPolarHBondContact O-CB 3.19Å; T389-N393 PolarHBondContact O-N 3.39Å; T389-N393 PolarHBondContact O-ND2 3.26Å
390T79.7Confident75.7Confident75 Ų7556.8 Ų56.846%0.4629%0.288SS..Hα-helixtrans-61.5-48.8174.9-47.90000111.6E386 E387 R388 Y392 N393 I394E386-T390 PolarHBondContact O-N 2.95Å; E386-T390 PolarHBondContact O-OG1 2.93Å; E387-T390 WeakPolarHBondContact O-CB 3.5Å; E387-T390 PolarHBondContact O-N 2.91Å; R388-T390 VanDerWaalsContact C-N 3.29Å; R388-T390 PolarHBondContact O-N 2.82Å; T390-Y392 PolarHBondContact O-N 2.92Å; T390-N393 PolarHBondContact O-N 3.39Å; T390-I394 HydrophobicContact CG2-CD1 4Å; T390-I394 WeakPolarHBondContact O-CG1 3.17Å; T390-I394 PolarHBondContact O-N 3.46Å
391K84.1Confident76.6Confident99 Ų9953.3 Ų53.343%0.4327%0.272SS..Hα-helixtrans-61.4-41.2177.5-74.5172.9173.3164.70112.8E387 R388 I394 L395 L440E387-K391 PolarHBondContact O-N 3.37Å; E387-K391 VanDerWaalsContact O-N 3.08Å; E387-K391 IonicContact OE1-NZ 2.76Å; E387-K391 PolarHBondContact OE1-NZ 3.02Å; R388-K391 PolarHBondContact O-N 2.8Å; K391-I394 PolarHBondContact O-N 2.71Å; K391-L395 WeakPolarHBondContact O-CB 3.42Å; K391-L395 WeakPolarHBondContact O-CG 3.47Å; K391-L395 PolarHBondContact O-N 2.89Å; K391-L440 HydrophobicContact CB-CD1 4.06Å
392Y84.9Confident77.6Confident0 Ų054.7 Ų54.70%028%0.276CS..Hα-helixtrans-57-49.9174.7174.8-86.9000111.4I354 G358 C364 W384 R388 T389 T390 I394 L395 L396 L440I354-Y392 HydrophobicContact CB-CE2 4.48Å; I354-Y392 HydrophobicContact CG2-CD2 4.37Å; I354-Y392 HydrophobicContact CG2-CE2 3.57Å; I354-Y392 WeakPolarHBondContact O-CE2 3.29Å; I354-Y392 PolarHBondContact O-OH 3.46Å; G358-Y392 VanDerWaalsContact CA-OH 3.27Å; G358-Y392 WeakPolarHBondContact CA-OH 3.39Å; C364-Y392 HydrophobicContact CB-CE1 3.98Å; C364-Y392 PolarHBondContact O-OH 3.25Å; W384-Y392 HydrophobicContact CH2-CD2 4.37Å; W384-Y392 HydrophobicContact CH2-CE2 4.34Å; W384-Y392 HydrophobicContact CZ2-CD2 4.1Å; W384-Y392 HydrophobicContact CZ2-CE2 4.39Å; W384-Y392 HydrophobicContact CZ2-CG 4.26Å; R388-Y392 WeakPolarHBondContact O-CB 3.09Å; R388-Y392 PolarHBondContact O-N 3.21Å; T389-Y392 PolarHBondContact O-N 3.44Å; T390-Y392 PolarHBondContact O-N 2.92Å; Y392-I394 PolarHBondContact O-N 2.97Å; Y392-L395 PolarHBondContact O-N 3.38Å; Y392-L396 HydrophobicContact CE1-CD2 3.8Å; Y392-L396 VanDerWaalsContact O-CB 3.25Å; Y392-L396 WeakPolarHBondContact O-CB 3.24Å; Y392-L396 PolarHBondContact O-N 2.97Å; Y392-L440 VanDerWaalsContact CA-CD2 3.47Å; Y392-L440 HydrophobicContact CD2-CD2 4.37Å
393N79.7Confident78.7Confident8 Ų849.6 Ų49.64%0.04325%0.249CC..Hα-helixtrans-63.4-41.9179.9-70-30.8000112.4Y376 T389 T390 N397Y376-N393 HydrophobicContact CE2-CB 3.91Å; Y376-N393 PolarHBondContact OH-ND2 3.32Å; T389-N393 WeakPolarHBondContact O-CB 3.19Å; T389-N393 PolarHBondContact O-N 3.39Å; T389-N393 PolarHBondContact O-ND2 3.26Å; T390-N393 PolarHBondContact O-N 3.39Å; N393-N397 WeakPolarHBondContact O-CB 3.44Å; N393-N397 PolarHBondContact O-N 2.89Å; N393-N397 VanDerWaalsContact O-N 3.14Å; N393-N397 PolarHBondContact O-ND2 3.36Å
394I82.8Confident79.4Confident86 Ų8650.3 Ų50.344%0.44125%0.249SC..Hα-helixtrans-61.9-54.7177.7-68.7166000110.3T390 K391 Y392 L396 N397 E398T390-I394 HydrophobicContact CG2-CD1 4Å; T390-I394 WeakPolarHBondContact O-CG1 3.17Å; T390-I394 PolarHBondContact O-N 3.46Å; K391-I394 PolarHBondContact O-N 2.71Å; Y392-I394 PolarHBondContact O-N 2.97Å; I394-L396 VanDerWaalsContact C-N 3.34Å; I394-L396 PolarHBondContact O-N 3.08Å; I394-N397 PolarHBondContact O-N 3.08Å; I394-E398 WeakPolarHBondContact O-CG 3.26Å; I394-E398 PolarHBondContact O-N 3.04Å
395L85.6Confident79.7Confident14 Ų1449.8 Ų49.87%0.07325%0.248CC..Hα-helixtrans-64.5-38.3-175.8-73.3170.4000112.4K391 Y392 E398 I399 L433 N436 L440K391-L395 WeakPolarHBondContact O-CB 3.42Å; K391-L395 WeakPolarHBondContact O-CG 3.47Å; K391-L395 PolarHBondContact O-N 2.89Å; Y392-L395 PolarHBondContact O-N 3.38Å; L395-E398 PolarHBondContact O-N 2.88Å; L395-I399 VanDerWaalsContact O-CG1 3.26Å; L395-I399 WeakPolarHBondContact O-CG1 3.44Å; L395-I399 PolarHBondContact O-N 3.46Å; L395-L433 HydrophobicContact CD2-CD1 3.83Å; L395-N436 HydrophobicContact CD1-CB 4.3Å; L395-N436 HydrophobicContact CD2-CB 3.64Å; L395-L440 HydrophobicContact CD1-CB 3.87Å; L395-L440 HydrophobicContact CD1-CD2 3.76Å; L395-L440 HydrophobicContact CD1-CG 4.4Å
396L83Confident79.9Confident0 Ų050.3 Ų50.30%025%0.245CC..Hα-helixtrans-63.3-43.9176.1-179.448.3000111.8Y351 I354 F366 Y392 I394 E398 I399 I400Y351-L396 HydrophobicContact CD2-CD1 3.69Å; Y351-L396 HydrophobicContact CE2-CD1 3.72Å; I354-L396 HydrophobicContact CG2-CB 4.12Å; I354-L396 HydrophobicContact CG2-CD1 3.73Å; I354-L396 HydrophobicContact CG2-CD2 3.77Å; I354-L396 HydrophobicContact CG2-CG 4.09Å; F366-L396 HydrophobicContact CD2-CD2 3.37Å; F366-L396 HydrophobicContact CD2-CG 4.34Å; F366-L396 HydrophobicContact CE2-CD2 3.11Å; F366-L396 HydrophobicContact CE2-CG 3.98Å; F366-L396 HydrophobicContact CG-CD2 4.39Å; F366-L396 HydrophobicContact CZ-CD2 3.93Å; F366-L396 HydrophobicContact CZ-CG 4.35Å; Y392-L396 HydrophobicContact CE1-CD2 3.8Å; Y392-L396 VanDerWaalsContact O-CB 3.25Å; Y392-L396 WeakPolarHBondContact O-CB 3.24Å; Y392-L396 PolarHBondContact O-N 2.97Å; I394-L396 VanDerWaalsContact C-N 3.34Å; I394-L396 PolarHBondContact O-N 3.08Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.37Å; L396-I399 PolarHBondContact O-N 2.71Å; L396-I400 HydrophobicContact CD1-CD1 3.77Å; L396-I400 HydrophobicContact CD1-CG1 4.06Å; L396-I400 HydrophobicContact CG-CD1 3.95Å; L396-I400 WeakPolarHBondContact O-CD1 3.38Å; L396-I400 VanDerWaalsContact O-CG1 3.24Å; L396-I400 WeakPolarHBondContact O-CG1 3.46Å; L396-I400 PolarHBondContact O-N 3.37Å
397N77.9Confident79.8Confident64 Ų6449.3 Ų49.334%0.34224%0.238SC..Hα-helixtrans-62-40.4174.7-77.4-23.8000112.1N393 I394 I400 T401N393-N397 WeakPolarHBondContact O-CB 3.44Å; N393-N397 PolarHBondContact O-N 2.89Å; N393-N397 VanDerWaalsContact O-N 3.14Å; N393-N397 PolarHBondContact O-ND2 3.36Å; I394-N397 PolarHBondContact O-N 3.08Å; N397-I400 PolarHBondContact O-N 2.83Å; N397-T401 VanDerWaalsContact O-CB 3.31Å; N397-T401 WeakPolarHBondContact O-CB 3.16Å; N397-T401 PolarHBondContact O-N 3.49Å; N397-T401 PolarHBondContact O-OG1 3.12Å
398E83.3Confident79.2Confident89 Ų8946.2 Ų46.242%0.41623%0.225SC..Hα-helixtrans-63.2-44176.3-72.9176.5177.700111.9I394 L395 L396 T401 W402 L433I394-E398 WeakPolarHBondContact O-CG 3.26Å; I394-E398 PolarHBondContact O-N 3.04Å; L395-E398 PolarHBondContact O-N 2.88Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.37Å; E398-T401 PolarHBondContact O-N 2.92Å; E398-W402 VanDerWaalsContact O-CB 3.26Å; E398-W402 WeakPolarHBondContact O-CB 3.42Å; E398-W402 PolarHBondContact O-N 2.97Å; E398-L433 HydrophobicContact CB-CD1 3.62Å; E398-L433 HydrophobicContact CB-CD2 4.33Å; E398-L433 WeakPolarHBondContact OE2-CD1 3.3Å
399I83.5Confident78.2Confident0 Ų049.7 Ų49.70%024%0.243CC..Hα-helixtrans-61.5-47.1176.1-67.6164.1000111.2L347 Y351 I354 L395 L396 T401 W402 L403 L433 T437L347-I399 HydrophobicContact CD2-CG1 4.11Å; Y351-I399 HydrophobicContact CD2-CG2 4.2Å; Y351-I399 HydrophobicContact CG-CG2 4.46Å; I354-I399 HydrophobicContact CD1-CD1 3.32Å; L395-I399 VanDerWaalsContact O-CG1 3.26Å; L395-I399 WeakPolarHBondContact O-CG1 3.44Å; L395-I399 PolarHBondContact O-N 3.46Å; L396-I399 PolarHBondContact O-N 2.71Å; I399-T401 PolarHBondContact O-N 2.83Å; I399-W402 PolarHBondContact O-N 3.13Å; I399-L403 HydrophobicContact CG2-CD1 3.78Å; I399-L403 HydrophobicContact CG2-CG 4.27Å; I399-L403 WeakPolarHBondContact O-CB 3.15Å; I399-L403 WeakPolarHBondContact O-CG 3.14Å; I399-L403 PolarHBondContact O-N 3.4Å; I399-L433 HydrophobicContact CB-CD2 4.44Å; I399-L433 HydrophobicContact CG1-CD1 4.05Å; I399-L433 HydrophobicContact CG1-CD2 3.82Å; I399-L433 HydrophobicContact CG1-CG 3.88Å; I399-T437 HydrophobicContact CD1-CG2 4.2Å
400I79.6Confident77.2Confident21 Ų2152.1 Ų52.111%0.10827%0.271CS..Hα-helixtrans-64.4-44.5-179-63160.7000110.6Y351 L374 L396 N397 W402 L403 H404Y351-I400 HydrophobicContact CD2-CG1 4.06Å; Y351-I400 HydrophobicContact CE2-CD1 4.01Å; Y351-I400 HydrophobicContact CE2-CG1 3.55Å; L374-I400 HydrophobicContact CD1-CB 4.24Å; L374-I400 HydrophobicContact CD1-CD1 4.39Å; L374-I400 HydrophobicContact CD1-CG2 3.29Å; L374-I400 HydrophobicContact CD2-CD1 4.03Å; L374-I400 HydrophobicContact CD2-CG2 4.23Å; L374-I400 HydrophobicContact CG-CG2 4.36Å; L396-I400 HydrophobicContact CD1-CD1 3.77Å; L396-I400 HydrophobicContact CD1-CG1 4.06Å; L396-I400 HydrophobicContact CG-CD1 3.95Å; L396-I400 WeakPolarHBondContact O-CD1 3.38Å; L396-I400 VanDerWaalsContact O-CG1 3.24Å; L396-I400 WeakPolarHBondContact O-CG1 3.46Å; L396-I400 PolarHBondContact O-N 3.37Å; N397-I400 PolarHBondContact O-N 2.83Å; I400-W402 VanDerWaalsContact C-N 3.31Å; I400-W402 PolarHBondContact O-N 3.04Å; I400-L403 PolarHBondContact O-N 3.12Å; I400-H404 VanDerWaalsContact O-CB 3.29Å; I400-H404 WeakPolarHBondContact O-CB 3.38Å; I400-H404 PolarHBondContact O-N 2.75Å
401T77.8Confident75.8Confident47 Ų4753.7 Ų53.729%0.28828%0.276SS..Hα-helixtrans-60.1-43.2176.8-56.80000110.9N397 E398 I399 H404 C405 I419N397-T401 VanDerWaalsContact O-CB 3.31Å; N397-T401 WeakPolarHBondContact O-CB 3.16Å; N397-T401 PolarHBondContact O-N 3.49Å; N397-T401 PolarHBondContact O-OG1 3.12Å; E398-T401 PolarHBondContact O-N 2.92Å; I399-T401 PolarHBondContact O-N 2.83Å; T401-H404 PolarHBondContact O-N 2.98Å; T401-C405 WeakPolarHBondContact O-CB 3.48Å; T401-C405 PolarHBondContact O-N 3.32Å; T401-C405 PolarHBondContact O-SG 3.21Å; T401-C405 VanDerWaalsContact O-SG 3.35Å; T401-I419 HydrophobicContact CG2-CG2 4.08Å
402W82.1Confident73.8Confident40 Ų4055 Ų5515%0.15230%0.298CS..Hα-helixtrans-63.9-49.9178.3-17197.3000111.8N343 H344 L347 E398 I399 I400 H404 C405 Q406 L433N343-W402 HydrophobicContact CB-CH2 4.43Å; H344-W402 HydrophobicContact CB-CH2 4.18Å; H344-W402 HydrophobicContact CB-CZ3 4.29Å; H344-W402 AromaticContact ND1-CZ3 3.83Å; L347-W402 HydrophobicContact CB-CE3 4.28Å; L347-W402 HydrophobicContact CB-CZ3 4.22Å; L347-W402 HydrophobicContact CD1-CD2 3.43Å; L347-W402 VanDerWaalsContact CD1-CD2 3.43Å; L347-W402 HydrophobicContact CD1-CE3 3.31Å; L347-W402 HydrophobicContact CD1-CG 4.15Å; L347-W402 HydrophobicContact CD1-CH2 3.77Å; L347-W402 HydrophobicContact CD1-CZ2 3.87Å; L347-W402 HydrophobicContact CD1-CZ3 3.5Å; L347-W402 VanDerWaalsContact CD1-CZ3 3.5Å; L347-W402 HydrophobicContact CG-CE3 4.41Å; L347-W402 HydrophobicContact CG-CZ3 4.47Å; E398-W402 VanDerWaalsContact O-CB 3.26Å; E398-W402 WeakPolarHBondContact O-CB 3.42Å; E398-W402 PolarHBondContact O-N 2.97Å; I399-W402 PolarHBondContact O-N 3.13Å; I400-W402 VanDerWaalsContact C-N 3.31Å; I400-W402 PolarHBondContact O-N 3.04Å; W402-H404 VanDerWaalsContact C-N 3.28Å; W402-H404 PolarHBondContact O-N 3.34Å; W402-C405 PolarHBondContact O-N 3.19Å; W402-Q406 HydrophobicContact CD2-CG 4.12Å; W402-Q406 HydrophobicContact CE3-CG 3.8Å; W402-Q406 HydrophobicContact CH2-CG 3.58Å; W402-Q406 HydrophobicContact CZ2-CG 3.91Å; W402-Q406 HydrophobicContact CZ3-CG 3.51Å; W402-Q406 WeakPolarHBondContact O-CG 3.24Å; W402-Q406 PolarHBondContact O-N 3.12Å; W402-L433 HydrophobicContact CB-CD2 4.09Å; W402-L433 HydrophobicContact CG-CD2 4.35Å
403L80.6Confident71.9Confident31 Ų3160 Ų6016%0.16233%0.328CS..Hα-helixtrans-60.5-38.5178.1-73.1172000111.6L347 K348 Y351 I399 I400 K407L347-L403 HydrophobicContact CB-CD2 4.27Å; K348-L403 HydrophobicContact CG-CD2 3.84Å; Y351-L403 HydrophobicContact CG-CD1 4.31Å; I399-L403 HydrophobicContact CG2-CD1 3.78Å; I399-L403 HydrophobicContact CG2-CG 4.27Å; I399-L403 WeakPolarHBondContact O-CB 3.15Å; I399-L403 WeakPolarHBondContact O-CG 3.14Å; I399-L403 PolarHBondContact O-N 3.4Å; I400-L403 PolarHBondContact O-N 3.12Å; L403-K407 PolarHBondContact O-N 2.97Å
404H75.8Confident70.2Confident59 Ų5966.7 Ų66.727%0.27337%0.37SS..Hα-helixtrans-66.6-44.5176.2-173.8-98000112.3I400 T401 W402 Q406 K407 I408I400-H404 VanDerWaalsContact O-CB 3.29Å; I400-H404 WeakPolarHBondContact O-CB 3.38Å; I400-H404 PolarHBondContact O-N 2.75Å; T401-H404 PolarHBondContact O-N 2.98Å; W402-H404 VanDerWaalsContact C-N 3.28Å; W402-H404 PolarHBondContact O-N 3.34Å; H404-Q406 VanDerWaalsContact C-N 3.31Å; H404-Q406 PolarHBondContact O-N 3.17Å; H404-K407 WeakPolarHBondContact O-CB 3.25Å; H404-K407 PolarHBondContact O-N 3.04Å; H404-K407 VanDerWaalsContact O-N 3.13Å; H404-I408 WeakPolarHBondContact CE1-CD1 3.23Å; H404-I408 PolarHBondContact O-N 3.45Å; H404-I408 VanDerWaalsContact O-N 3.13Å
405C74.4Confident68.3Low3 Ų371.1 Ų71.12%0.0239%0.389CS..Hα-helixtrans-63.8-34.2177.4-73.10000112.7T401 W402 I408 Q409 C421T401-C405 WeakPolarHBondContact O-CB 3.48Å; T401-C405 PolarHBondContact O-N 3.32Å; T401-C405 PolarHBondContact O-SG 3.21Å; T401-C405 VanDerWaalsContact O-SG 3.35Å; W402-C405 PolarHBondContact O-N 3.19Å; C405-I408 PolarHBondContact O-N 3.32Å; C405-Q409 PolarHBondContact O-N 2.82Å; C405-C421 VanDerWaalsContact CA-SG 3.54Å; C405-C421 HydrophobicContact CB-CB 3.95Å; C405-C421 WeakPolarHBondContact CB-SG 3.45Å; C405-C421 WeakPolarHBondContact SG-CB 3.39Å; C405-C421 CovalentContact SG-SG 2.05Å; C405-C421 PolarHBondContact SG-SG 3.06Å
406Q75Confident66.3Low57 Ų5776.9 Ų76.927%0.26641%0.413SS..Hα-helixtrans-64.3-39.4172.3-68.9-58.2-37.300112.2W402 H404 I408 Q409 G410W402-Q406 HydrophobicContact CD2-CG 4.12Å; W402-Q406 HydrophobicContact CE3-CG 3.8Å; W402-Q406 HydrophobicContact CH2-CG 3.58Å; W402-Q406 HydrophobicContact CZ2-CG 3.91Å; W402-Q406 HydrophobicContact CZ3-CG 3.51Å; W402-Q406 WeakPolarHBondContact O-CG 3.24Å; W402-Q406 PolarHBondContact O-N 3.12Å; H404-Q406 VanDerWaalsContact C-N 3.31Å; H404-Q406 PolarHBondContact O-N 3.17Å; Q406-I408 PolarHBondContact O-N 2.91Å; Q406-Q409 PolarHBondContact O-N 3.22Å; Q406-G410 PolarHBondContact O-N 2.58Å
407K71Confident64.5Low148 Ų14886.9 Ų86.964%0.64346%0.457SS*.Hα-helixtrans-65.4-38.2177.9-167.2178.2-179.8-178.90112.6L403 H404 G410 N411L403-K407 PolarHBondContact O-N 2.97Å; H404-K407 WeakPolarHBondContact O-CB 3.25Å; H404-K407 PolarHBondContact O-N 3.04Å; H404-K407 VanDerWaalsContact O-N 3.13Å; K407-G410 PolarHBondContact O-N 3.13Å; K407-N411 PolarHBondContact O-N 2.85Å
408I64.9Low63.1Low58 Ų5892 Ų9230%0.29748%0.479SS..Hα-helixtrans-66.9-39.6177.4-69174.2000111.6H404 C405 Q406 G410 N411 F416H404-I408 WeakPolarHBondContact CE1-CD1 3.23Å; H404-I408 PolarHBondContact O-N 3.45Å; H404-I408 VanDerWaalsContact O-N 3.13Å; C405-I408 PolarHBondContact O-N 3.32Å; Q406-I408 PolarHBondContact O-N 2.91Å; I408-G410 PolarHBondContact O-N 2.82Å; I408-N411 PolarHBondContact O-N 2.93Å; I408-F416 HydrophobicContact CD1-CB 4.23Å
409Q59.4Low61.6Low132 Ų13291.1 Ų91.162%0.61748%0.476SS*.Hα-helixtrans-63.9-23.5177.1-73.4-174.1-10.600113C405 Q406C405-Q409 PolarHBondContact O-N 2.82Å; Q406-Q409 PolarHBondContact O-N 3.22Å
410G55.2Low60.3Low63 Ų6395.4 Ų95.465%0.64950%0.499SS*.Hα-helixtrans-84.8-25.6175.900000115.5Q406 K407 I408Q406-G410 PolarHBondContact O-N 2.58Å; K407-G410 PolarHBondContact O-N 3.13Å; I408-G410 PolarHBondContact O-N 2.82Å
411N50.2Low59.3Low109 Ų10995.5 Ų95.558%0.58350%0.501SS*.  trans-113.5100.2-176.4-91.1-3.3000111.8K407 I408 T413K407-N411 PolarHBondContact O-N 2.85Å; I408-N411 PolarHBondContact O-N 2.93Å; N411-T413 PolarHBondContact O-N 2.8Å
412S44.1Very low58.3Low125 Ų12599.3 Ų99.387%0.87452%0.524SS*.  trans-73.865.4169.3165.10000111.5
413T43Very low56.8Low105 Ų105106 Ų10664%0.64456%0.555SS**  trans-140.2137.6164.950.20000111.5N411 E415N411-T413 PolarHBondContact O-N 2.8Å; T413-E415 PolarHBondContact O-N 3.34Å; T413-E415 VanDerWaalsContact O-N 3.17Å
414T46Very low55.3Low149 Ų149107.6 Ų107.691%0.91457%0.568SS**THydrogen-bonded Turntrans-8527.1-146.836.90000118
415E42.8Very low53.8Low179 Ų179106.5 Ų106.584%0.83657%0.573SS**THydrogen-bonded Turntrans-108.73.7-172.8-84.7-174.9162.600117.6T413T413-E415 PolarHBondContact O-N 3.34Å; T413-E415 VanDerWaalsContact O-N 3.17Å
416F42.4Very low52.6Low135 Ų135108.4 Ų108.459%0.59259%0.586SS**  trans-113.182.7-176.5-64.8-82.7000113.1I408I408-F416 HydrophobicContact CD1-CB 4.23Å
417K44.9Very low51.2Low211 Ų211117.5 Ų117.592%0.91762%0.618SS**  trans-103.313.6-174.6-109.1-174-175.9-179.80116.8
418Q49.8Very low50Low171 Ų171116.9 Ų116.980%0.79962%0.621SS**SBendtrans-106.4-6.1-168.3-132.3172.6-6.500116.9
419I51.2Low50.2Low70 Ų70119.2 Ų119.236%0.35963%0.629SS.*SBendtrans-118.8116.1174.8-64.2172.5000109.4T401 C421T401-I419 HydrophobicContact CG2-CG2 4.08Å; I419-C421 VanDerWaalsContact C-N 3.33Å; I419-C421 PolarHBondContact O-N 2.84Å
420D55.3Low51.1Low90 Ų90113.4 Ų113.448%0.48160%0.604SS.*  trans-77.279-178.9-162.6-0.1000110.7V422 K423 S424D420-V422 PolarHBondContact O-N 3.34Å; D420-K423 PolarHBondContact O-N 2.64Å; D420-K423 VanDerWaalsContact O-N 3.14Å; D420-K423 WeakPolarHBondContact OD2-CD 3.46Å; D420-S424 PolarHBondContact O-N 3Å
421C59.7Low52.5Low23 Ų23114 Ų11416%0.15559%0.59CS.*THydrogen-bonded Turntrans-60.8-11-179.8-67.60000114.1C405 I419 S424C405-C421 VanDerWaalsContact CA-SG 3.54Å; C405-C421 HydrophobicContact CB-CB 3.95Å; C405-C421 WeakPolarHBondContact CB-SG 3.45Å; C405-C421 WeakPolarHBondContact SG-CB 3.39Å; C405-C421 CovalentContact SG-SG 2.05Å; C405-C421 PolarHBondContact SG-SG 3.06Å; I419-C421 VanDerWaalsContact C-N 3.33Å; I419-C421 PolarHBondContact O-N 2.84Å; C421-S424 WeakPolarHBondContact CA-OG 2.95Å; C421-S424 PolarHBondContact O-OG 2.82Å
422V56Low54.3Low127 Ų127113 Ų11377%0.7758%0.582SS**THydrogen-bonded Turntrans-78.8-39.5176.8-177.70000110.9D420D420-V422 PolarHBondContact O-N 3.34Å
423K51.7Low56.4Low182 Ų182107.6 Ų107.679%0.79154%0.543SS*.THydrogen-bonded Turntrans-73.8-27.3175-78.9-177.1-179.2172.60113.2D420 G425D420-K423 PolarHBondContact O-N 2.64Å; D420-K423 VanDerWaalsContact O-N 3.14Å; D420-K423 WeakPolarHBondContact OD2-CD 3.46Å; K423-G425 PolarHBondContact O-N 3.36Å
424S49.4Very low58.6Low63 Ų63102.9 Ų102.944%0.44151%0.514SS..THydrogen-bonded Turntrans-78.43.3179.262.80000114.5D420 C421 S426D420-S424 PolarHBondContact O-N 3Å; C421-S424 WeakPolarHBondContact CA-OG 2.95Å; C421-S424 PolarHBondContact O-OG 2.82Å; S424-S426 PolarHBondContact O-N 2.71Å
425G44.6Very low60.8Low36 Ų3699.1 Ų99.137%0.37149%0.491SS..THydrogen-bonded Turntrans65.736166.600000114.7K423 R427 L428K423-G425 PolarHBondContact O-N 3.36Å; G425-R427 PolarHBondContact O-N 2.79Å; G425-L428 PolarHBondContact O-N 3.42Å
426S48.1Very low63.1Low44 Ų4493.6 Ų93.631%0.30847%0.467SS..THydrogen-bonded Turntrans-50.3-12.5-176.657.40000117S424S424-S426 PolarHBondContact O-N 2.71Å
427R45Very low65.5Low248 Ų24887.1 Ų87.194%0.93644%0.439SS*.THydrogen-bonded Turntrans-85.8-14.4173.9-136.4175.5-171.4177.32.1114.1G425G425-R427 PolarHBondContact O-N 2.79Å
428L46.4Very low67.8Low134 Ų13477.4 Ų77.470%0.70240%0.397SS*.SBendtrans-124.2115.1-175.8-94.2167.3000109.1G425G425-L428 PolarHBondContact O-N 3.42Å
429K69.9Low69.9Low107 Ų10773.7 Ų73.747%0.46538%0.383SS..  trans9242.6148-47.9-175.9-170.2-176.70121E431 E432 L433K429-E431 PolarHBondContact O-N 3.43Å; K429-E432 HydrophobicContact CB-CB 3.6Å; K429-E432 HydrophobicContact CD-CB 3.78Å; K429-E432 HydrophobicContact CD-CG 4.16Å; K429-E432 WeakPolarHBondContact CD-OE2 3.32Å; K429-E432 WeakPolarHBondContact CE-OE2 3.47Å; K429-E432 HydrophobicContact CG-CB 4.17Å; K429-E432 IonicContact NZ-OE1 2.57Å; K429-E432 PolarHBondContact NZ-OE1 2.76Å; K429-E432 IonicContact NZ-OE2 3.8Å; K429-E432 PolarHBondContact NZ-OE2 3.33Å; K429-E432 PolarHBondContact O-N 3.19Å; K429-L433 PolarHBondContact O-N 2.85Å; K429-L433 VanDerWaalsContact O-N 3.16Å
430G78.5Confident71.8Confident10 Ų1071 Ų7110%0.10337%0.369CS..Hα-helixtrans-51.6-38.4157.400000112.4L433 I434G430-L433 PolarHBondContact O-N 3.46Å; G430-I434 WeakPolarHBondContact O-CD1 3.46Å; G430-I434 VanDerWaalsContact O-CG1 3.25Å; G430-I434 WeakPolarHBondContact O-CG1 3.32Å; G430-I434 PolarHBondContact O-N 3.28Å
431E84.5Confident73.5Confident76 Ų7666.9 Ų66.936%0.35535%0.347SS..Hα-helixtrans-66.5-37.6176.3-65.6-64.7163.400114.3H337 N343 R346 K429 L433 I434 T435H337-E431 IonicContact CE1-OE2 2.91Å; N343-E431 VanDerWaalsContact CG-OE1 3.28Å; N343-E431 PolarHBondContact ND2-OE1 3.38Å; N343-E431 PolarHBondContact OD1-OE1 3.14Å; R346-E431 IonicContact NH1-OE1 3.7Å; R346-E431 PolarHBondContact NH1-OE1 2.84Å; K429-E431 PolarHBondContact O-N 3.43Å; E431-L433 VanDerWaalsContact C-N 3.34Å; E431-I434 PolarHBondContact O-N 3.08Å; E431-T435 WeakPolarHBondContact O-CB 3.39Å; E431-T435 PolarHBondContact O-N 3.3Å; E431-T435 PolarHBondContact O-OG1 3.13Å
432E86.9Confident75.1Confident87 Ų8768.8 Ų68.841%0.40736%0.356SS..Hα-helixtrans-68.1-40176.5-170.6-178.2-121.200110.1K429 T435 N436K429-E432 HydrophobicContact CB-CB 3.6Å; K429-E432 HydrophobicContact CD-CB 3.78Å; K429-E432 HydrophobicContact CD-CG 4.16Å; K429-E432 WeakPolarHBondContact CD-OE2 3.32Å; K429-E432 WeakPolarHBondContact CE-OE2 3.47Å; K429-E432 HydrophobicContact CG-CB 4.17Å; K429-E432 IonicContact NZ-OE1 2.57Å; K429-E432 PolarHBondContact NZ-OE1 2.76Å; K429-E432 IonicContact NZ-OE2 3.8Å; K429-E432 PolarHBondContact NZ-OE2 3.33Å; K429-E432 PolarHBondContact O-N 3.19Å; E432-T435 PolarHBondContact O-N 3.18Å; E432-N436 WeakPolarHBondContact O-CB 3.29Å; E432-N436 VanDerWaalsContact O-CG 3.25Å; E432-N436 PolarHBondContact O-N 3.49Å; E432-N436 PolarHBondContact O-ND2 2.86Å
433L87.6Confident76.6Confident12 Ų1263.4 Ų63.46%0.06333%0.326CS..Hα-helixtrans-63.6-43.3177.5-173.659.2000111.6L347 L395 E398 I399 W402 K429 G430 E431 T437L347-L433 HydrophobicContact CD1-CD2 4.34Å; L347-L433 HydrophobicContact CD2-CB 4.35Å; L347-L433 HydrophobicContact CD2-CD2 3.89Å; L347-L433 HydrophobicContact CD2-CG 3.91Å; L395-L433 HydrophobicContact CD2-CD1 3.83Å; E398-L433 HydrophobicContact CB-CD1 3.62Å; E398-L433 HydrophobicContact CB-CD2 4.33Å; E398-L433 WeakPolarHBondContact OE2-CD1 3.3Å; I399-L433 HydrophobicContact CB-CD2 4.44Å; I399-L433 HydrophobicContact CG1-CD1 4.05Å; I399-L433 HydrophobicContact CG1-CD2 3.82Å; I399-L433 HydrophobicContact CG1-CG 3.88Å; W402-L433 HydrophobicContact CB-CD2 4.09Å; W402-L433 HydrophobicContact CG-CD2 4.35Å; K429-L433 PolarHBondContact O-N 2.85Å; K429-L433 VanDerWaalsContact O-N 3.16Å; G430-L433 PolarHBondContact O-N 3.46Å; E431-L433 VanDerWaalsContact C-N 3.34Å; L433-T437 WeakPolarHBondContact O-CB 3.39Å; L433-T437 PolarHBondContact O-N 2.89Å; L433-T437 PolarHBondContact O-OG1 3.31Å
434I90.8Very high78.2Confident6 Ų655.1 Ų55.13%0.03129%0.29CS..Hα-helixtrans-56.9-51.3171.5-71.1164.2000110L336 N343 R346 L347 L350 G430 E431 T437 V438L336-I434 HydrophobicContact CD1-CG2 4.42Å; N343-I434 HydrophobicContact CB-CD1 4.21Å; N343-I434 WeakPolarHBondContact OD1-CD1 3.32Å; R346-I434 HydrophobicContact CB-CD1 3.82Å; R346-I434 HydrophobicContact CB-CG1 4.35Å; L347-I434 HydrophobicContact CD2-CG1 3.71Å; L347-I434 HydrophobicContact CG-CD1 4.26Å; L347-I434 HydrophobicContact CG-CG1 3.82Å; L350-I434 HydrophobicContact CD1-CB 4.14Å; L350-I434 HydrophobicContact CD1-CG1 4.04Å; L350-I434 HydrophobicContact CD1-CG2 3.99Å; G430-I434 WeakPolarHBondContact O-CD1 3.46Å; G430-I434 VanDerWaalsContact O-CG1 3.25Å; G430-I434 WeakPolarHBondContact O-CG1 3.32Å; G430-I434 PolarHBondContact O-N 3.28Å; E431-I434 PolarHBondContact O-N 3.08Å; I434-T437 PolarHBondContact O-N 3.45Å; I434-V438 WeakPolarHBondContact O-CG2 3.23Å; I434-V438 PolarHBondContact O-N 3Å
435T91.1Very high80Confident70 Ų7052.6 Ų52.643%0.42927%0.272SS..Hα-helixtrans-61.7-47.9-177.5-58.20000112.1E431 E432 T437 V438 N439E431-T435 WeakPolarHBondContact O-CB 3.39Å; E431-T435 PolarHBondContact O-N 3.3Å; E431-T435 PolarHBondContact O-OG1 3.13Å; E432-T435 PolarHBondContact O-N 3.18Å; T435-T437 VanDerWaalsContact C-N 3.31Å; T435-T437 PolarHBondContact O-N 3.45Å; T435-V438 PolarHBondContact O-N 2.96Å; T435-N439 WeakPolarHBondContact O-CB 3.18Å; T435-N439 PolarHBondContact O-N 3.47Å; T435-N439 PolarHBondContact O-ND2 3.39Å
436N91.9Very high81.9Confident63 Ų6354.6 Ų54.634%0.33728%0.28SS..Hα-helixtrans-63.4-39178.9-72.5-16.8000111.8L395 E432 N439 L440L395-N436 HydrophobicContact CD1-CB 4.3Å; L395-N436 HydrophobicContact CD2-CB 3.64Å; E432-N436 WeakPolarHBondContact O-CB 3.29Å; E432-N436 VanDerWaalsContact O-CG 3.25Å; E432-N436 PolarHBondContact O-N 3.49Å; E432-N436 PolarHBondContact O-ND2 2.86Å; N436-N439 PolarHBondContact O-N 3.19Å; N436-L440 PolarHBondContact O-N 3.46Å
437T91.9Very high83.3Confident0 Ų054.3 Ų54.30%027%0.274CS..Hα-helixtrans-64.3-49.6176.2-63.60000111.7L350 I354 I399 L433 I434 T435 N439 L440 L441L350-T437 HydrophobicContact CB-CG2 4.02Å; L350-T437 HydrophobicContact CD1-CG2 3.96Å; L350-T437 HydrophobicContact CD2-CG2 4.04Å; L350-T437 HydrophobicContact CG-CG2 4.24Å; I354-T437 HydrophobicContact CD1-CG2 3.35Å; I354-T437 HydrophobicContact CG1-CG2 4.02Å; I399-T437 HydrophobicContact CD1-CG2 4.2Å; L433-T437 WeakPolarHBondContact O-CB 3.39Å; L433-T437 PolarHBondContact O-N 2.89Å; L433-T437 PolarHBondContact O-OG1 3.31Å; I434-T437 PolarHBondContact O-N 3.45Å; T435-T437 VanDerWaalsContact C-N 3.31Å; T435-T437 PolarHBondContact O-N 3.45Å; T437-N439 VanDerWaalsContact C-N 3.29Å; T437-N439 PolarHBondContact O-N 3.07Å; T437-L440 PolarHBondContact O-N 3.47Å; T437-L441 HydrophobicContact CG2-CD1 3.9Å; T437-L441 HydrophobicContact CG2-CG 4.39Å; T437-L441 VanDerWaalsContact O-CG 3.3Å; T437-L441 WeakPolarHBondContact O-CG 3.39Å; T437-L441 PolarHBondContact O-N 3.18Å
438V93.8Very high84.8Confident6 Ų643.6 Ų43.64%0.03624%0.237CC..Hα-helixtrans-60.6-40.7177.1172.10000110.7P333 L336 L350 I434 T435 L441 N442P333-V438 HydrophobicContact CG-CG1 4.01Å; L336-V438 HydrophobicContact CD1-CG2 3.47Å; L336-V438 VanDerWaalsContact CD1-CG2 3.47Å; L350-V438 HydrophobicContact CD1-CG2 4.32Å; L350-V438 HydrophobicContact CD2-CG2 4.08Å; I434-V438 WeakPolarHBondContact O-CG2 3.23Å; I434-V438 PolarHBondContact O-N 3Å; T435-V438 PolarHBondContact O-N 2.96Å; V438-L441 PolarHBondContact O-N 3.29Å; V438-N442 WeakPolarHBondContact CG1-ND2 3.26Å; V438-N442 VanDerWaalsContact O-CB 3.3Å; V438-N442 WeakPolarHBondContact O-CB 3.39Å; V438-N442 PolarHBondContact O-N 3.29Å; V438-N442 PolarHBondContact O-ND2 3.24Å; V438-N442 VanDerWaalsContact O-ND2 3.14Å
439N93.2Very high86.3Confident94 Ų9438.4 Ų38.450%0.50321%0.21SC..Hα-helixtrans-63.1-41.6175.8-73.5-23.4000113T435 N436 T437 G443T435-N439 WeakPolarHBondContact O-CB 3.18Å; T435-N439 PolarHBondContact O-N 3.47Å; T435-N439 PolarHBondContact O-ND2 3.39Å; N436-N439 PolarHBondContact O-N 3.19Å; T437-N439 VanDerWaalsContact C-N 3.29Å; T437-N439 PolarHBondContact O-N 3.07Å; N439-G443 PolarHBondContact O-N 3.31Å
440L91Very high86.2Confident13 Ų1336.8 Ų36.87%0.06821%0.212CC..Hα-helixtrans-61.7-48.9174.1174.667.4000110.9K391 Y392 L395 N436 T437 G443 I444K391-L440 HydrophobicContact CB-CD1 4.06Å; Y392-L440 VanDerWaalsContact CA-CD2 3.47Å; Y392-L440 HydrophobicContact CD2-CD2 4.37Å; L395-L440 HydrophobicContact CD1-CB 3.87Å; L395-L440 HydrophobicContact CD1-CD2 3.76Å; L395-L440 HydrophobicContact CD1-CG 4.4Å; N436-L440 PolarHBondContact O-N 3.46Å; T437-L440 PolarHBondContact O-N 3.47Å; L440-G443 WeakPolarHBondContact O-CA 3.33Å; L440-G443 PolarHBondContact O-N 2.86Å; L440-G443 VanDerWaalsContact O-N 3.16Å; L440-I444 HydrophobicContact CD1-CD1 4.04Å; L440-I444 HydrophobicContact CD1-CG1 4.34Å; L440-I444 HydrophobicContact CD2-CD1 4.42Å; L440-I444 HydrophobicContact CG-CD1 3.91Å; L440-I444 WeakPolarHBondContact O-CG1 3.39Å; L440-I444 PolarHBondContact O-N 2.61Å
441L92.2Very high85.2Confident4 Ų440.9 Ų40.92%0.02123%0.227CC..Hα-helixtrans-63.6-44.2-178.7-68.7174.2000111.9I330 L350 L353 I354 V357 T437 V438 G443 I444 Q445I330-L441 HydrophobicContact CG2-CB 4.06Å; L350-L441 HydrophobicContact CD2-CD1 4.13Å; L353-L441 HydrophobicContact CD2-CD1 3.63Å; L353-L441 HydrophobicContact CG-CD1 3.91Å; I354-L441 HydrophobicContact CG1-CD1 4.38Å; I354-L441 HydrophobicContact CG1-CD2 4.08Å; I354-L441 HydrophobicContact CG1-CG 4.45Å; V357-L441 HydrophobicContact CB-CD2 4.22Å; V357-L441 HydrophobicContact CG1-CD2 4.36Å; V357-L441 HydrophobicContact CG2-CD2 3.93Å; T437-L441 HydrophobicContact CG2-CD1 3.9Å; T437-L441 HydrophobicContact CG2-CG 4.39Å; T437-L441 VanDerWaalsContact O-CG 3.3Å; T437-L441 WeakPolarHBondContact O-CG 3.39Å; T437-L441 PolarHBondContact O-N 3.18Å; V438-L441 PolarHBondContact O-N 3.29Å; L441-G443 VanDerWaalsContact C-N 3.28Å; L441-G443 PolarHBondContact O-N 2.77Å; L441-I444 PolarHBondContact O-N 3.29Å; L441-Q445 WeakPolarHBondContact O-CB 3.19Å; L441-Q445 PolarHBondContact O-N 2.81Å
442N91.9Very high83.5Confident62 Ų6239.5 Ų39.533%0.33222%0.223SC..Hα-helixtrans-54.8-45.6170.8-83.2-42.2000111.3I330 V438 S446I330-N442 VanDerWaalsContact CD1-CA 3.45Å; I330-N442 HydrophobicContact CD1-CB 4.16Å; I330-N442 WeakPolarHBondContact CD1-OD1 3.35Å; V438-N442 WeakPolarHBondContact CG1-ND2 3.26Å; V438-N442 VanDerWaalsContact O-CB 3.3Å; V438-N442 WeakPolarHBondContact O-CB 3.39Å; V438-N442 PolarHBondContact O-N 3.29Å; V438-N442 PolarHBondContact O-ND2 3.24Å; V438-N442 VanDerWaalsContact O-ND2 3.14Å; N442-S446 VanDerWaalsContact O-CB 3.25Å; N442-S446 WeakPolarHBondContact O-CB 3.5Å; N442-S446 PolarHBondContact O-N 2.91Å
443G88.5Confident82.1Confident15 Ų1536.9 Ų36.916%0.15521%0.211CC..Hα-helixtrans-57.6-53175.400000111.6R388 N439 L440 L441 S446 E447R388-G443 VanDerWaalsContact CZ-C 3.4Å; R388-G443 VanDerWaalsContact CZ-O 3.31Å; R388-G443 PolarHBondContact NH1-O 3.38Å; R388-G443 VanDerWaalsContact NH2-C 3.27Å; R388-G443 VanDerWaalsContact NH2-CA 3.29Å; R388-G443 PolarHBondContact NH2-O 2.96Å; R388-G443 VanDerWaalsContact NH2-O 3.1Å; N439-G443 PolarHBondContact O-N 3.31Å; L440-G443 WeakPolarHBondContact O-CA 3.33Å; L440-G443 PolarHBondContact O-N 2.86Å; L440-G443 VanDerWaalsContact O-N 3.16Å; L441-G443 VanDerWaalsContact C-N 3.28Å; L441-G443 PolarHBondContact O-N 2.77Å; G443-S446 PolarHBondContact O-N 3.22Å; G443-E447 PolarHBondContact O-N 3.48Å
444I85.2Confident80.6Confident7 Ų744.6 Ų44.64%0.03625%0.247CC..Hα-helixtrans-60.5-47.6-178.6-69.4168.8000110.5V357 W384 L440 L441 E447 S448V357-I444 HydrophobicContact CG1-CD1 4.11Å; V357-I444 HydrophobicContact CG1-CG2 3.82Å; W384-I444 HydrophobicContact CD2-CD1 4.29Å; W384-I444 HydrophobicContact CD2-CG1 4.41Å; W384-I444 HydrophobicContact CE3-CD1 4.09Å; W384-I444 HydrophobicContact CE3-CG1 4.19Å; W384-I444 HydrophobicContact CE3-CG2 3.58Å; W384-I444 HydrophobicContact CH2-CD1 4.48Å; W384-I444 HydrophobicContact CZ3-CD1 4.2Å; W384-I444 HydrophobicContact CZ3-CG2 3.87Å; L440-I444 HydrophobicContact CD1-CD1 4.04Å; L440-I444 HydrophobicContact CD1-CG1 4.34Å; L440-I444 HydrophobicContact CD2-CD1 4.42Å; L440-I444 HydrophobicContact CG-CD1 3.91Å; L440-I444 WeakPolarHBondContact O-CG1 3.39Å; L440-I444 PolarHBondContact O-N 2.61Å; L441-I444 PolarHBondContact O-N 3.29Å; I444-E447 PolarHBondContact O-N 3.42Å; I444-S448 WeakPolarHBondContact O-CB 3.42Å; I444-S448 PolarHBondContact O-N 3.38Å; I444-S448 PolarHBondContact O-OG 3.08Å; I444-S448 VanDerWaalsContact O-OG 3.07Å
445Q88.2Confident79.8Confident10 Ų1045.1 Ų45.15%0.04725%0.25CC..Hα-helixtrans-60.7-49.3178.1-179.1-170.862.800111.3D310 L328 I330 L441 E447 S448 L449D310-Q445 PolarHBondContact OD1-NE2 3.28Å; L328-Q445 WeakPolarHBondContact O-CG 3.15Å; L328-Q445 PolarHBondContact O-NE2 3.29Å; I330-Q445 HydrophobicContact CD1-CB 4.01Å; I330-Q445 HydrophobicContact CD1-CG 4.5Å; I330-Q445 VanDerWaalsContact CD1-OE1 3.26Å; I330-Q445 HydrophobicContact CG2-CB 4.24Å; L441-Q445 WeakPolarHBondContact O-CB 3.19Å; L441-Q445 PolarHBondContact O-N 2.81Å; Q445-E447 PolarHBondContact O-N 2.72Å; Q445-S448 PolarHBondContact O-N 3.47Å; Q445-S448 VanDerWaalsContact O-N 3.14Å; Q445-L449 HydrophobicContact CG-CD1 3.66Å; Q445-L449 HydrophobicContact CG-CG 4.04Å; Q445-L449 WeakPolarHBondContact O-CB 3.27Å; Q445-L449 WeakPolarHBondContact O-CG 3.21Å; Q445-L449 PolarHBondContact O-N 3.21Å
446S84.4Confident79.4Confident79 Ų7943.4 Ų43.455%0.55224%0.24SC*.Hα-helixtrans-57.5-411791790000111.5N442 G443 S450N442-S446 VanDerWaalsContact O-CB 3.25Å; N442-S446 WeakPolarHBondContact O-CB 3.5Å; N442-S446 PolarHBondContact O-N 2.91Å; G443-S446 PolarHBondContact O-N 3.22Å; S446-S450 VanDerWaalsContact O-CB 3.22Å; S446-S450 WeakPolarHBondContact O-CB 3.24Å; S446-S450 PolarHBondContact O-N 2.9Å; S446-S450 PolarHBondContact O-OG 3.33Å
447E76.7Confident79Confident37 Ų3743.5 Ų43.517%0.17324%0.241CC..Hα-helixtrans-65.6-47.8174.9-174.3177-165.800111.4R388 G443 I444 Q445 L449 S450 K451R388-E447 IonicContact CZ-OE2 2.72Å; R388-E447 IonicContact NE-OE2 2.77Å; R388-E447 VanDerWaalsContact NH1-CB 3.27Å; R388-E447 IonicContact NH1-OE2 2.61Å; R388-E447 PolarHBondContact NH1-OE2 3.31Å; G443-E447 PolarHBondContact O-N 3.48Å; I444-E447 PolarHBondContact O-N 3.42Å; Q445-E447 PolarHBondContact O-N 2.72Å; E447-L449 PolarHBondContact O-N 2.89Å; E447-S450 WeakPolarHBondContact CA-OG 3.21Å; E447-S450 CarbonylContact O-C 3.53Å; E447-S450 WeakPolarHBondContact O-CA 3.42Å; E447-S450 PolarHBondContact O-N 3.29Å; E447-S450 VanDerWaalsContact O-N 3.09Å; E447-S450 PolarHBondContact O-OG 3.28Å; E447-K451 HydrophobicContact CG-CD 3.82Å; E447-K451 HydrophobicContact CG-CG 4.07Å; E447-K451 VanDerWaalsContact O-CB 3.28Å; E447-K451 WeakPolarHBondContact O-CB 3.37Å; E447-K451 WeakPolarHBondContact O-CG 3.16Å; E447-K451 PolarHBondContact O-N 3.31Å; E447-K451 WeakPolarHBondContact OE1-CE 3.13Å; E447-K451 IonicContact OE1-NZ 2.79Å; E447-K451 PolarHBondContact OE1-NZ 3.09Å
448S77.1Confident78.9Confident23 Ų2352.3 Ų52.316%0.16128%0.279CS..Hα-helixtrans-63.7-38.4179.1-64.20000113.3I444 Q445 S450I444-S448 WeakPolarHBondContact O-CB 3.42Å; I444-S448 PolarHBondContact O-N 3.38Å; I444-S448 PolarHBondContact O-OG 3.08Å; I444-S448 VanDerWaalsContact O-OG 3.07Å; Q445-S448 PolarHBondContact O-N 3.47Å; Q445-S448 VanDerWaalsContact O-N 3.14Å; S448-S450 VanDerWaalsContact C-N 3.29Å
449L77.7Confident78.7Confident25 Ų2555.9 Ų55.913%0.13130%0.295CS..Hα-helixtrans-71.2-26.8174-67176.4000111.8N113 Q307 V309 L328 Q445 E447N113-L449 HydrophobicContact CB-CD2 3.99Å; Q307-L449 HydrophobicContact CB-CD1 4.3Å; Q307-L449 HydrophobicContact CG-CD1 3.76Å; V309-L449 HydrophobicContact CG2-CD1 4.32Å; V309-L449 HydrophobicContact CG2-CD2 4.37Å; L328-L449 HydrophobicContact CD1-CD2 3.97Å; Q445-L449 HydrophobicContact CG-CD1 3.66Å; Q445-L449 HydrophobicContact CG-CG 4.04Å; Q445-L449 WeakPolarHBondContact O-CB 3.27Å; Q445-L449 WeakPolarHBondContact O-CG 3.21Å; Q445-L449 PolarHBondContact O-N 3.21Å; E447-L449 PolarHBondContact O-N 2.89Å
450S66.8Low78.7Confident73 Ų7351.4 Ų51.451%0.5127%0.272SS..Hα-helixtrans-84.3-29.1174.377.60000113.7S446 E447 S448 V452S446-S450 VanDerWaalsContact O-CB 3.22Å; S446-S450 WeakPolarHBondContact O-CB 3.24Å; S446-S450 PolarHBondContact O-N 2.9Å; S446-S450 PolarHBondContact O-OG 3.33Å; E447-S450 WeakPolarHBondContact CA-OG 3.21Å; E447-S450 CarbonylContact O-C 3.53Å; E447-S450 WeakPolarHBondContact O-CA 3.42Å; E447-S450 PolarHBondContact O-N 3.29Å; E447-S450 VanDerWaalsContact O-N 3.09Å; E447-S450 PolarHBondContact O-OG 3.28Å; S448-S450 VanDerWaalsContact C-N 3.29Å; S450-V452 PolarHBondContact O-N 2.99Å; S450-V452 VanDerWaalsContact O-N 3.15Å
451K57.9Low78.8Confident96 Ų9654.5 Ų54.542%0.41729%0.287SS..SBendtrans-79.899.7-176.8-83.9-173.3178.3172.50110.2V383 E447 E453V383-K451 PolarHBondContact O-NZ 3.32Å; E447-K451 HydrophobicContact CG-CD 3.82Å; E447-K451 HydrophobicContact CG-CG 4.07Å; E447-K451 VanDerWaalsContact O-CB 3.28Å; E447-K451 WeakPolarHBondContact O-CB 3.37Å; E447-K451 WeakPolarHBondContact O-CG 3.16Å; E447-K451 PolarHBondContact O-N 3.31Å; E447-K451 WeakPolarHBondContact OE1-CE 3.13Å; E447-K451 IonicContact OE1-NZ 2.79Å; E447-K451 PolarHBondContact OE1-NZ 3.09Å; K451-E453 PolarHBondContact O-N 3.31Å
452V49.4Very low79Confident47 Ų4759.5 Ų59.529%0.28531%0.309SS..  trans3.6109.9144.4-174.20000114.4S450 L455 R896 I901S450-V452 PolarHBondContact O-N 2.99Å; S450-V452 VanDerWaalsContact O-N 3.15Å; V452-L455 HydrophobicContact CG1-CD1 3.8Å; V452-L455 HydrophobicContact CG1-CG 4.43Å; V452-R896 WeakPolarHBondContact CG1-O 3.42Å; V452-I901 HydrophobicContact CG2-CG2 4.44Å
453E56.5Low79.2Confident32 Ų3256.5 Ų56.515%0.1529%0.293CS..  trans-42.6140.2162.8-65.9172.4-164.100110.6K115 K451 L455 W902K115-E453 VanDerWaalsContact CA-OE1 3.23Å; K115-E453 WeakPolarHBondContact CA-OE1 3.26Å; K451-E453 PolarHBondContact O-N 3.31Å; E453-L455 PolarHBondContact O-N 3.45Å; E453-W902 HydrophobicContact CB-CZ2 4.02Å; E453-W902 HydrophobicContact CG-CZ2 4.41Å
454H57.1Low79.5Confident175 Ų17556.4 Ų56.481%0.8129%0.292SS*.  trans-63.484.7177.4-73.2-68.8000111.2P32P32-H454 WeakPolarHBondContact CG-O 3.5Å
455L74.4Confident80.1Confident17 Ų1760.4 Ų60.49%0.08931%0.312CS..  trans-54.3135.6169-69.3160.9000109.4L30 V452 E453 N457 M460 R896 W902L30-L455 HydrophobicContact CD1-CD2 3.87Å; L30-L455 HydrophobicContact CG-CD2 4.47Å; L30-L455 WeakPolarHBondContact O-CD2 3.34Å; V452-L455 HydrophobicContact CG1-CD1 3.8Å; V452-L455 HydrophobicContact CG1-CG 4.43Å; E453-L455 PolarHBondContact O-N 3.45Å; L455-N457 PolarHBondContact O-N 3.19Å; L455-M460 HydrophobicContact CB-SD 3.96Å; L455-M460 HydrophobicContact CD2-SD 4.23Å; L455-R896 HydrophobicContact CD1-CB 3.57Å; L455-W902 HydrophobicContact CD1-CZ2 4.42Å; L455-W902 HydrophobicContact CD2-CH2 3.85Å; L455-W902 HydrophobicContact CD2-CZ2 4.21Å; L455-W902 HydrophobicContact CG-CH2 4.46Å; L455-W902 HydrophobicContact CG-CZ2 4.35Å
456S81Confident80.5Confident33 Ų3361.3 Ų61.323%0.23132%0.317CS..  trans-82.790178.4176.30000109.8G29 K458 Q459 M460G29-S456 PolarHBondContact O-N 3.15Å; S456-K458 PolarHBondContact O-N 2.84Å; S456-K458 VanDerWaalsContact O-N 3.12Å; S456-Q459 PolarHBondContact O-N 2.94Å; S456-Q459 VanDerWaalsContact O-N 3.12Å; S456-Q459 WeakPolarHBondContact OG-CG 3.4Å; S456-Q459 PolarHBondContact OG-N 3.18Å; S456-Q459 PolarHBondContact OG-OE1 3.17Å; S456-M460 WeakPolarHBondContact O-CG 3.34Å; S456-M460 PolarHBondContact O-N 3.38Å
457N85.1Confident81Confident66 Ų6657.6 Ų57.635%0.35329%0.291SS..Hα-helixtrans-51.2-38.7177.7-68.5-23.9000112L455 M460 I461 F893 R896L455-N457 PolarHBondContact O-N 3.19Å; N457-M460 PolarHBondContact O-N 3.21Å; N457-I461 WeakPolarHBondContact O-CB 3.39Å; N457-I461 WeakPolarHBondContact O-CD1 3.34Å; N457-I461 WeakPolarHBondContact O-CG1 3.44Å; N457-I461 PolarHBondContact O-N 3.27Å; N457-F893 HydrophobicContact CB-CE2 4.45Å; N457-R896 WeakPolarHBondContact OD1-CD 3.46Å; N457-R896 PolarHBondContact OD1-NE 2.96Å
458K88.5Confident81.9Confident185 Ų18559.6 Ų59.680%0.80430%0.297SS*.Hα-helixtrans-62.2-47.9-179.9-69.8-178-1801770112.1S456 F462S456-K458 PolarHBondContact O-N 2.84Å; S456-K458 VanDerWaalsContact O-N 3.12Å; K458-F462 WeakPolarHBondContact O-CB 3.39Å; K458-F462 PolarHBondContact O-N 3.39Å
459Q90.3Very high82.7Confident80 Ų8062.4 Ų62.437%0.37431%0.31SS..Hα-helixtrans-68.5-43.1178.7-75.3169.9-41.300111.2I25 S456 I461 F462 G463I25-Q459 HydrophobicContact CG2-CB 4.08Å; I25-Q459 HydrophobicContact CG2-CG 4.42Å; I25-Q459 WeakPolarHBondContact CG2-O 3.04Å; S456-Q459 PolarHBondContact O-N 2.94Å; S456-Q459 VanDerWaalsContact O-N 3.12Å; S456-Q459 WeakPolarHBondContact OG-CG 3.4Å; S456-Q459 PolarHBondContact OG-N 3.18Å; S456-Q459 PolarHBondContact OG-OE1 3.17Å; Q459-I461 VanDerWaalsContact C-N 3.35Å; Q459-I461 PolarHBondContact O-N 3.28Å; Q459-F462 PolarHBondContact O-N 3.31Å; Q459-G463 PolarHBondContact O-N 3.11Å
460M92.3Very high83.4Confident1 Ų161.2 Ų61.21%0.00530%0.304CS..Hα-helixtrans-59.7-43.8176.3-66.4176.77500111.9F26 L30 L455 S456 N457 G464 F893F26-M460 HydrophobicContact CD2-CB 4.19Å; F26-M460 VanDerWaalsContact CD2-O 3.25Å; F26-M460 WeakPolarHBondContact CD2-O 3.48Å; F26-M460 HydrophobicContact CE1-CE 4.49Å; F26-M460 HydrophobicContact CE2-CB 3.98Å; F26-M460 HydrophobicContact CE2-CE 4.08Å; F26-M460 HydrophobicContact CE2-CG 4.37Å; F26-M460 HydrophobicContact CZ-CE 3.71Å; L30-M460 HydrophobicContact CD1-CE 3.93Å; L455-M460 HydrophobicContact CB-SD 3.96Å; L455-M460 HydrophobicContact CD2-SD 4.23Å; S456-M460 WeakPolarHBondContact O-CG 3.34Å; S456-M460 PolarHBondContact O-N 3.38Å; N457-M460 PolarHBondContact O-N 3.21Å; M460-G464 WeakPolarHBondContact O-CA 3.44Å; M460-G464 PolarHBondContact O-N 2.9Å; M460-F893 HydrophobicContact CB-CD2 4.01Å; M460-F893 HydrophobicContact CE-CB 4Å; M460-F893 HydrophobicContact CE-CD2 4.18Å; M460-F893 HydrophobicContact SD-CD2 4.47Å
461I94.6Very high84.6Confident78 Ų7857.8 Ų57.840%0.428%0.28SS..Hα-helixtrans-64.1-49177-69.9164.4000110.5N457 Q459 G464 I465 F893N457-I461 WeakPolarHBondContact O-CB 3.39Å; N457-I461 WeakPolarHBondContact O-CD1 3.34Å; N457-I461 WeakPolarHBondContact O-CG1 3.44Å; N457-I461 PolarHBondContact O-N 3.27Å; Q459-I461 VanDerWaalsContact C-N 3.35Å; Q459-I461 PolarHBondContact O-N 3.28Å; I461-G464 PolarHBondContact O-N 3.44Å; I461-I465 HydrophobicContact CG2-CD1 3.71Å; I461-I465 HydrophobicContact CG2-CG1 4.4Å; I461-I465 VanDerWaalsContact O-CG1 3.25Å; I461-I465 WeakPolarHBondContact O-CG1 3.37Å; I461-I465 PolarHBondContact O-N 2.98Å; I461-F893 HydrophobicContact CD1-CE2 3.96Å; I461-F893 HydrophobicContact CD1-CZ 3.8Å; I461-F893 HydrophobicContact CG1-CD2 4.35Å; I461-F893 HydrophobicContact CG1-CE1 4.42Å; I461-F893 HydrophobicContact CG1-CE2 3.54Å; I461-F893 HydrophobicContact CG1-CZ 3.58Å
462F95.7Very high86.2Confident108 Ų10858.2 Ų58.247%0.47429%0.286SS..Hα-helixtrans-63.1-48.6-177.9-178.3-118.3000112.2I25 K458 Q459 G464 I465 L466I25-F462 HydrophobicContact CD1-CD1 3.58Å; I25-F462 HydrophobicContact CD1-CE1 3.42Å; I25-F462 VanDerWaalsContact CD1-CE1 3.42Å; I25-F462 HydrophobicContact CG2-CD1 3.94Å; K458-F462 WeakPolarHBondContact O-CB 3.39Å; K458-F462 PolarHBondContact O-N 3.39Å; Q459-F462 PolarHBondContact O-N 3.31Å; F462-G464 PolarHBondContact O-N 2.97Å; F462-I465 PolarHBondContact O-N 3.39Å; F462-L466 HydrophobicContact CD1-CD1 4.4Å; F462-L466 HydrophobicContact CE1-CD1 3.91Å; F462-L466 HydrophobicContact CE2-CD1 4.46Å; F462-L466 HydrophobicContact CZ-CD1 3.94Å; F462-L466 PolarHBondContact O-N 3.45Å
463G95.4Very high88Confident0 Ų059.2 Ų59.20%029%0.289CS..Hα-helixtrans-61.5-42.9175.200000112.3G22 Q459 I465 L466 M467G22-G463 CarbonylContact O-C 3.4Å; G22-G463 WeakPolarHBondContact O-CA 3.42Å; Q459-G463 PolarHBondContact O-N 3.11Å; G463-I465 PolarHBondContact O-N 2.88Å; G463-L466 PolarHBondContact O-N 2.85Å; G463-M467 VanDerWaalsContact O-CG 3.3Å; G463-M467 WeakPolarHBondContact O-CG 3.46Å; G463-M467 PolarHBondContact O-N 2.81Å
464G96Very high89.3Confident13 Ų1357.8 Ų57.813%0.13428%0.283CS..Hα-helixtrans-62.1-40.4177.200000113.3M460 I461 F462 M467 W468M460-G464 WeakPolarHBondContact O-CA 3.44Å; M460-G464 PolarHBondContact O-N 2.9Å; I461-G464 PolarHBondContact O-N 3.44Å; F462-G464 PolarHBondContact O-N 2.97Å; G464-M467 PolarHBondContact O-N 3.04Å; G464-W468 VanDerWaalsContact O-CD1 3.29Å; G464-W468 PolarHBondContact O-N 3.45Å
465I96.7Very high90.3Very high90 Ų9051.7 Ų51.746%0.46225%0.254SS..Hα-helixtrans-61.8-45.8175.1-72165.9000110.6I461 F462 G463 M467 W468 I469I461-I465 HydrophobicContact CG2-CD1 3.71Å; I461-I465 HydrophobicContact CG2-CG1 4.4Å; I461-I465 VanDerWaalsContact O-CG1 3.25Å; I461-I465 WeakPolarHBondContact O-CG1 3.37Å; I461-I465 PolarHBondContact O-N 2.98Å; F462-I465 PolarHBondContact O-N 3.39Å; G463-I465 PolarHBondContact O-N 2.88Å; I465-M467 VanDerWaalsContact C-N 3.34Å; I465-M467 PolarHBondContact O-N 2.91Å; I465-W468 PolarHBondContact O-N 3.02Å; I465-I469 HydrophobicContact CG2-CD1 3.78Å; I465-I469 HydrophobicContact CG2-CG1 4.35Å; I465-I469 VanDerWaalsContact O-CG1 3.29Å; I465-I469 WeakPolarHBondContact O-CG1 3.41Å; I465-I469 PolarHBondContact O-N 2.79Å
466L96Very high90.6Very high29 Ų2955.2 Ų55.215%0.15227%0.27CS..Hα-helixtrans-60.7-43.3177.6-70.6172.3000111.9V18 F21 I25 F462 G463 I469 V470V18-L466 HydrophobicContact CG1-CD2 4.27Å; F21-L466 HydrophobicContact CD1-CD1 3.91Å; F21-L466 HydrophobicContact CE1-CD1 4.23Å; I25-L466 HydrophobicContact CD1-CD1 4.42Å; F462-L466 HydrophobicContact CD1-CD1 4.4Å; F462-L466 HydrophobicContact CE1-CD1 3.91Å; F462-L466 HydrophobicContact CE2-CD1 4.46Å; F462-L466 HydrophobicContact CZ-CD1 3.94Å; F462-L466 PolarHBondContact O-N 3.45Å; G463-L466 PolarHBondContact O-N 2.85Å; L466-I469 PolarHBondContact O-N 3.46Å; L466-V470 PolarHBondContact O-N 2.92Å
467M96.1Very high90Very high1 Ų154.8 Ų54.81%0.00526%0.264CS..Hα-helixtrans-60.5-46.9175.2-67.4167.670.400111.3Y19 L23 F26 G463 G464 I465 I469 V470 T471 I885 T886 M909Y19-M467 HydrophobicContact CD2-CB 4.26Å; Y19-M467 HydrophobicContact CD2-CG 4.37Å; Y19-M467 HydrophobicContact CE2-CB 3.81Å; Y19-M467 HydrophobicContact CE2-CE 4.42Å; Y19-M467 HydrophobicContact CE2-CG 4.03Å; Y19-M467 WeakPolarHBondContact OH-CE 3.28Å; L23-M467 HydrophobicContact CB-SD 4.48Å; L23-M467 HydrophobicContact CD1-CE 4.02Å; L23-M467 HydrophobicContact CD1-SD 4.37Å; F26-M467 HydrophobicContact CB-SD 3.94Å; F26-M467 HydrophobicContact CD2-SD 4.48Å; F26-M467 HydrophobicContact CG-SD 4.16Å; G463-M467 VanDerWaalsContact O-CG 3.3Å; G463-M467 WeakPolarHBondContact O-CG 3.46Å; G463-M467 PolarHBondContact O-N 2.81Å; G464-M467 PolarHBondContact O-N 3.04Å; I465-M467 VanDerWaalsContact C-N 3.34Å; I465-M467 PolarHBondContact O-N 2.91Å; M467-I469 PolarHBondContact O-N 3.27Å; M467-V470 PolarHBondContact O-N 3.32Å; M467-T471 WeakPolarHBondContact O-CB 3.46Å; M467-T471 PolarHBondContact O-N 3.07Å; M467-T471 PolarHBondContact O-OG1 3.35Å; M467-T471 VanDerWaalsContact O-OG1 3.06Å; M467-I885 HydrophobicContact CE-CG2 4.13Å; M467-T886 HydrophobicContact CB-CG2 4.2Å; M467-M909 HydrophobicContact CE-CE 4.02Å
468W96Very high89.1Confident79 Ų7952.5 Ų52.530%0.29925%0.251SS..Hα-helixtrans-63.4-39.9177.8-89.2110.1000113.3G464 I465 V470 T471 L472 T886 L887 T890G464-W468 VanDerWaalsContact O-CD1 3.29Å; G464-W468 PolarHBondContact O-N 3.45Å; I465-W468 PolarHBondContact O-N 3.02Å; W468-V470 VanDerWaalsContact C-N 3.34Å; W468-V470 PolarHBondContact O-N 2.97Å; W468-T471 PolarHBondContact O-N 3.19Å; W468-L472 HydrophobicContact CE3-CD1 4.42Å; W468-L472 HydrophobicContact CE3-CD2 4.31Å; W468-L472 HydrophobicContact CE3-CG 4.07Å; W468-L472 HydrophobicContact CZ3-CD2 4.42Å; W468-L472 VanDerWaalsContact O-CB 3.29Å; W468-L472 WeakPolarHBondContact O-CB 3.4Å; W468-L472 WeakPolarHBondContact O-CG 3.48Å; W468-L472 PolarHBondContact O-N 3.25Å; W468-T886 HydrophobicContact CD2-CG2 3.55Å; W468-T886 HydrophobicContact CE3-CG2 4.04Å; W468-T886 HydrophobicContact CG-CG2 3.75Å; W468-T886 HydrophobicContact CZ2-CG2 4.11Å; W468-L887 HydrophobicContact CH2-CD2 3.79Å; W468-L887 HydrophobicContact CH2-CG 4.32Å; W468-L887 HydrophobicContact CZ2-CD2 3.81Å; W468-L887 HydrophobicContact CZ2-CG 4.47Å; W468-T890 PolarHBondContact NE1-OG1 3.13Å
469I94.4Very high88Confident82 Ų8248 Ų4842%0.42124%0.235SC..Hα-helixtrans-56.9-50.8176.4-72.7165.6000109.8I465 L466 M467 L472 L473I465-I469 HydrophobicContact CG2-CD1 3.78Å; I465-I469 HydrophobicContact CG2-CG1 4.35Å; I465-I469 VanDerWaalsContact O-CG1 3.29Å; I465-I469 WeakPolarHBondContact O-CG1 3.41Å; I465-I469 PolarHBondContact O-N 2.79Å; L466-I469 PolarHBondContact O-N 3.46Å; M467-I469 PolarHBondContact O-N 3.27Å; I469-L472 PolarHBondContact O-N 3.15Å; I469-L473 HydrophobicContact CG2-CD1 3.87Å; I469-L473 WeakPolarHBondContact O-CB 3.37Å; I469-L473 WeakPolarHBondContact O-CG 3.32Å; I469-L473 PolarHBondContact O-N 3.48Å
470V91.7Very high86.7Confident1 Ų146.6 Ų46.61%0.00623%0.231CC..Hα-helixtrans-66.5-45-179.4174.90000111.3L15 V18 Y19 L466 M467 W468 L472 L473 L474L15-V470 HydrophobicContact CB-CG1 4.05Å; L15-V470 HydrophobicContact CD2-CG1 4.45Å; L15-V470 HydrophobicContact CD2-CG2 4.33Å; V18-V470 HydrophobicContact CB-CG2 3.96Å; V18-V470 HydrophobicContact CG1-CG2 3.73Å; Y19-V470 HydrophobicContact CD2-CB 4.02Å; Y19-V470 HydrophobicContact CD2-CG1 4.1Å; L466-V470 PolarHBondContact O-N 2.92Å; M467-V470 PolarHBondContact O-N 3.32Å; W468-V470 VanDerWaalsContact C-N 3.34Å; W468-V470 PolarHBondContact O-N 2.97Å; V470-L472 PolarHBondContact O-N 2.92Å; V470-L473 PolarHBondContact O-N 2.88Å; V470-L474 HydrophobicContact CG1-CD1 3.97Å; V470-L474 HydrophobicContact CG1-CG 4.33Å; V470-L474 WeakPolarHBondContact O-CG 3.44Å; V470-L474 PolarHBondContact O-N 2.95Å
471T91.8Very high85.1Confident1 Ų148.5 Ų48.51%0.00624%0.244CC..Hα-helixtrans-58.3-47.6177.7-65.20000110.9M467 W468 L473 L474 F475 V882 L883 T886M467-T471 WeakPolarHBondContact O-CB 3.46Å; M467-T471 PolarHBondContact O-N 3.07Å; M467-T471 PolarHBondContact O-OG1 3.35Å; M467-T471 VanDerWaalsContact O-OG1 3.06Å; W468-T471 PolarHBondContact O-N 3.19Å; T471-L473 PolarHBondContact O-N 2.96Å; T471-L474 PolarHBondContact O-N 3.37Å; T471-F475 HydrophobicContact CG2-CD2 3.93Å; T471-F475 HydrophobicContact CG2-CE2 4.13Å; T471-F475 VanDerWaalsContact O-CD2 3.32Å; T471-F475 WeakPolarHBondContact O-CD2 3.34Å; T471-F475 PolarHBondContact O-N 2.94Å; T471-V882 HydrophobicContact CG2-CG2 4.29Å; T471-V882 WeakPolarHBondContact OG1-CG2 3.49Å; T471-L883 HydrophobicContact CG2-CD1 4.15Å; T471-T886 PolarHBondContact OG1-OG1 2.86Å
472L90.7Very high83.2Confident104 Ų10449.1 Ų49.155%0.54525%0.251SS..Hα-helixtrans-64.7-37.4177.4-69.8171.9000112.5W468 I469 V470 F475 H476W468-L472 HydrophobicContact CE3-CD1 4.42Å; W468-L472 HydrophobicContact CE3-CD2 4.31Å; W468-L472 HydrophobicContact CE3-CG 4.07Å; W468-L472 HydrophobicContact CZ3-CD2 4.42Å; W468-L472 VanDerWaalsContact O-CB 3.29Å; W468-L472 WeakPolarHBondContact O-CB 3.4Å; W468-L472 WeakPolarHBondContact O-CG 3.48Å; W468-L472 PolarHBondContact O-N 3.25Å; I469-L472 PolarHBondContact O-N 3.15Å; V470-L472 PolarHBondContact O-N 2.92Å; L472-F475 PolarHBondContact O-N 2.93Å; L472-H476 WeakPolarHBondContact O-CB 3.32Å; L472-H476 PolarHBondContact O-N 3.33Å
473L87.7Confident81Confident68 Ų6848.1 Ų48.136%0.35625%0.25SC..Hα-helixtrans-64.5-42.1175.4-73.6171000111.8L15 I469 V470 T471 K477L15-L473 HydrophobicContact CD2-CD1 3.89Å; I469-L473 HydrophobicContact CG2-CD1 3.87Å; I469-L473 WeakPolarHBondContact O-CB 3.37Å; I469-L473 WeakPolarHBondContact O-CG 3.32Å; I469-L473 PolarHBondContact O-N 3.48Å; V470-L473 PolarHBondContact O-N 2.88Å; T471-L473 PolarHBondContact O-N 2.96Å; L473-K477 WeakPolarHBondContact O-CG 3.18Å; L473-K477 PolarHBondContact O-N 3.32Å; L473-K477 VanDerWaalsContact O-N 3.15Å
474L83.7Confident78.8Confident2 Ų255 Ų551%0.0128%0.277CS..Hα-helixtrans-63.9-47.2174.9-69.2172.4000110.8L15 V470 T471 K477 I478 L878 V882L15-L474 HydrophobicContact CD1-CD2 4.18Å; V470-L474 HydrophobicContact CG1-CD1 3.97Å; V470-L474 HydrophobicContact CG1-CG 4.33Å; V470-L474 WeakPolarHBondContact O-CG 3.44Å; V470-L474 PolarHBondContact O-N 2.95Å; T471-L474 PolarHBondContact O-N 3.37Å; L474-K477 PolarHBondContact O-N 3.44Å; L474-I478 VanDerWaalsContact O-CG1 3.3Å; L474-I478 WeakPolarHBondContact O-CG1 3.46Å; L474-I478 PolarHBondContact O-N 2.98Å; L474-L878 HydrophobicContact CD1-CB 4.38Å; L474-V882 HydrophobicContact CD1-CG2 3.77Å
475F79.2Confident76.6Confident48 Ų4856.6 Ų56.621%0.21129%0.286CS..Hα-helixtrans-67.1-37.9177.8-88-89000114.1T471 L472 K477 I478 L479 G879 F880 L883T471-F475 HydrophobicContact CG2-CD2 3.93Å; T471-F475 HydrophobicContact CG2-CE2 4.13Å; T471-F475 VanDerWaalsContact O-CD2 3.32Å; T471-F475 WeakPolarHBondContact O-CD2 3.34Å; T471-F475 PolarHBondContact O-N 2.94Å; L472-F475 PolarHBondContact O-N 2.93Å; F475-K477 PolarHBondContact O-N 2.66Å; F475-I478 HydrophobicContact CD1-CD1 4.13Å; F475-I478 HydrophobicContact CE1-CD1 4.23Å; F475-I478 HydrophobicContact CG-CD1 4.27Å; F475-I478 HydrophobicContact CZ-CD1 4.45Å; F475-I478 WeakPolarHBondContact O-CB 3.18Å; F475-I478 PolarHBondContact O-N 2.91Å; F475-L479 WeakPolarHBondContact O-CB 3.35Å; F475-L479 PolarHBondContact O-N 2.86Å; F475-G879 VanDerWaalsContact CE2-O 3.28Å; F475-G879 WeakPolarHBondContact CE2-O 3.42Å; F475-F880 HydrophobicContact CE1-CE1 4.48Å; F475-F880 HydrophobicContact CZ-CD1 4.4Å; F475-F880 HydrophobicContact CZ-CE1 4.49Å; F475-L883 HydrophobicContact CE1-CD2 4.26Å; F475-L883 HydrophobicContact CE2-CB 3.69Å; F475-L883 HydrophobicContact CE2-CD1 4.08Å; F475-L883 HydrophobicContact CE2-CD2 4.18Å; F475-L883 HydrophobicContact CE2-CG 4.19Å; F475-L883 HydrophobicContact CZ-CB 3.83Å; F475-L883 HydrophobicContact CZ-CD1 4.27Å; F475-L883 HydrophobicContact CZ-CD2 3.57Å; F475-L883 HydrophobicContact CZ-CG 4.08Å
476H79.8Confident74Confident91 Ų9156.2 Ų56.242%0.42129%0.292SS..Hα-helixtrans-60.2-39.8173.9-179.272.2000110.8L472 L479 N480L472-H476 WeakPolarHBondContact O-CB 3.32Å; L472-H476 PolarHBondContact O-N 3.33Å; H476-L479 PolarHBondContact O-N 3.09Å; H476-N480 PolarHBondContact CD2-ND2 3.39Å; H476-N480 PolarHBondContact NE2-ND2 3.42Å; H476-N480 VanDerWaalsContact O-CG 3.26Å; H476-N480 PolarHBondContact O-N 3.42Å; H476-N480 PolarHBondContact O-ND2 3.46Å
477K68.9Low71.6Confident23 Ų2358 Ų5810%0.130%0.301CS..Hα-helixtrans-71-35175.3-70.6-178.6-176.5-179.70112.6I7 E11 L473 L474 F475 N480 S481I7-K477 HydrophobicContact CD1-CD 3.13Å; I7-K477 HydrophobicContact CD1-CG 4.49Å; I7-K477 HydrophobicContact CG1-CD 3.74Å; E11-K477 VanDerWaalsContact CD-NZ 3.33Å; E11-K477 IonicContact OE1-NZ 3.08Å; E11-K477 PolarHBondContact OE1-NZ 3.01Å; E11-K477 IonicContact OE2-NZ 3.71Å; L473-K477 WeakPolarHBondContact O-CG 3.18Å; L473-K477 PolarHBondContact O-N 3.32Å; L473-K477 VanDerWaalsContact O-N 3.15Å; L474-K477 PolarHBondContact O-N 3.44Å; F475-K477 PolarHBondContact O-N 2.66Å; K477-N480 PolarHBondContact O-N 3.38Å; K477-S481 WeakPolarHBondContact O-CB 3.24Å; K477-S481 PolarHBondContact O-N 2.88Å
478I66.3Low69Low19 Ų1960.4 Ų60.410%0.09732%0.316CS..Hα-helixtrans-57.8-51.3169.1-68.9166.6000110.2L474 F475 N480 S481 V482 L876L474-I478 VanDerWaalsContact O-CG1 3.3Å; L474-I478 WeakPolarHBondContact O-CG1 3.46Å; L474-I478 PolarHBondContact O-N 2.98Å; F475-I478 HydrophobicContact CD1-CD1 4.13Å; F475-I478 HydrophobicContact CE1-CD1 4.23Å; F475-I478 HydrophobicContact CG-CD1 4.27Å; F475-I478 HydrophobicContact CZ-CD1 4.45Å; F475-I478 WeakPolarHBondContact O-CB 3.18Å; F475-I478 PolarHBondContact O-N 2.91Å; I478-N480 VanDerWaalsContact C-N 3.28Å; I478-N480 PolarHBondContact O-N 2.97Å; I478-S481 PolarHBondContact O-N 2.8Å; I478-V482 HydrophobicContact CG2-CG2 4.24Å; I478-V482 WeakPolarHBondContact O-CB 3.44Å; I478-V482 WeakPolarHBondContact O-CG2 3.36Å; I478-V482 PolarHBondContact O-N 3.31Å; I478-L876 HydrophobicContact CB-CD1 4.05Å; I478-L876 HydrophobicContact CD1-CD1 3.8Å; I478-L876 HydrophobicContact CG1-CB 4.25Å; I478-L876 HydrophobicContact CG1-CD1 3.56Å; I478-L876 HydrophobicContact CG2-CD1 3.38Å
479L65.3Low66.2Low89 Ų8963.6 Ų63.647%0.46633%0.332SS..Hα-helixtrans-58.3-42.6178.9-16273.9000110.7F475 H476 I483F475-L479 WeakPolarHBondContact O-CB 3.35Å; F475-L479 PolarHBondContact O-N 2.86Å; H476-L479 PolarHBondContact O-N 3.09Å; L479-I483 HydrophobicContact CD1-CD1 3.24Å; L479-I483 HydrophobicContact CD1-CG1 3.96Å; L479-I483 HydrophobicContact CG-CD1 3.75Å; L479-I483 HydrophobicContact CG-CG1 4.25Å; L479-I483 WeakPolarHBondContact O-CA 3.43Å; L479-I483 WeakPolarHBondContact O-CB 3.13Å; L479-I483 WeakPolarHBondContact O-CG1 3.49Å; L479-I483 PolarHBondContact O-N 2.87Å
480N63.2Low63.7Low51 Ų5164.8 Ų64.827%0.27334%0.339SS..Hα-helixtrans-67.1-36.9175-69.4-21.5000113H476 K477 I478 Y484H476-N480 PolarHBondContact CD2-ND2 3.39Å; H476-N480 PolarHBondContact NE2-ND2 3.42Å; H476-N480 VanDerWaalsContact O-CG 3.26Å; H476-N480 PolarHBondContact O-N 3.42Å; H476-N480 PolarHBondContact O-ND2 3.46Å; K477-N480 PolarHBondContact O-N 3.38Å; I478-N480 VanDerWaalsContact C-N 3.28Å; I478-N480 PolarHBondContact O-N 2.97Å; N480-Y484 CarbonylContact O-C 3.46Å; N480-Y484 VanDerWaalsContact O-C 3.27Å; N480-Y484 VanDerWaalsContact O-CA 3.22Å; N480-Y484 WeakPolarHBondContact O-CA 3.25Å; N480-Y484 WeakPolarHBondContact O-CB 3.45Å; N480-Y484 PolarHBondContact O-N 3.38Å; N480-Y484 WeakPolarHBondContact OD1-CD2 3.36Å
481S57.5Low61.2Low41 Ų4166.7 Ų66.729%0.28735%0.353SS..Hα-helixtrans-72.1-39.5178.6-173.10000112.7K477 I478K477-S481 WeakPolarHBondContact O-CB 3.24Å; K477-S481 PolarHBondContact O-N 2.88Å; I478-S481 PolarHBondContact O-N 2.8Å
482V54.2Low58.7Low91 Ų9171.9 Ų71.955%0.55238%0.38SS*.Hα-helixtrans-84.6-45.3-176.1178.20000111.2I478I478-V482 HydrophobicContact CG2-CG2 4.24Å; I478-V482 WeakPolarHBondContact O-CB 3.44Å; I478-V482 WeakPolarHBondContact O-CG2 3.36Å; I478-V482 PolarHBondContact O-N 3.31Å
483I51.3Low56.3Low87 Ų8771.4 Ų71.445%0.44639%0.385SS..Hα-helixtrans-87.9-40.4-177.1-55.2-169.3000112.1L479 T488L479-I483 HydrophobicContact CD1-CD1 3.24Å; L479-I483 HydrophobicContact CD1-CG1 3.96Å; L479-I483 HydrophobicContact CG-CD1 3.75Å; L479-I483 HydrophobicContact CG-CG1 4.25Å; L479-I483 WeakPolarHBondContact O-CA 3.43Å; L479-I483 WeakPolarHBondContact O-CB 3.13Å; L479-I483 WeakPolarHBondContact O-CG1 3.49Å; L479-I483 PolarHBondContact O-N 2.87Å; I483-T488 WeakPolarHBondContact O-CB 3.5Å; I483-T488 WeakPolarHBondContact O-CG2 3.34Å; I483-T488 PolarHBondContact O-OG1 3.11Å
484Y48.5Very low54Low144 Ų14470.4 Ų70.457%0.56538%0.384SS*.  trans-10021.8-174.7-72.9-85.6000114.2N480 S486N480-Y484 CarbonylContact O-C 3.46Å; N480-Y484 VanDerWaalsContact O-C 3.27Å; N480-Y484 VanDerWaalsContact O-CA 3.22Å; N480-Y484 WeakPolarHBondContact O-CA 3.25Å; N480-Y484 WeakPolarHBondContact O-CB 3.45Å; N480-Y484 PolarHBondContact O-N 3.38Å; N480-Y484 WeakPolarHBondContact OD1-CD2 3.36Å; Y484-S486 PolarHBondContact O-N 3.08Å
485S49.6Very low51.9Low47 Ų4779 Ų7933%0.32942%0.416SS..  trans-45.5129.9158169.90000108.5D487 T488S485-D487 PolarHBondContact O-N 3.45Å; S485-T488 PolarHBondContact O-N 3.03Å; S485-T488 PolarHBondContact O-OG1 3.38Å
486S42.7Very low50.1Low83 Ų8386.2 Ų86.258%0.5845%0.447SS*.Hα-helixtrans-52.5-19.1-173.157.40000114Y484 N490Y484-S486 PolarHBondContact O-N 3.08Å; S486-N490 PolarHBondContact O-N 2.65Å
487D45.4Very low48Very low66 Ų6688.1 Ų88.135%0.35346%0.461SS..Hα-helixtrans-78.5-24.5179.9-65-22.1000114.2S485 K489 N490 S491 N787S485-D487 PolarHBondContact O-N 3.45Å; D487-K489 VanDerWaalsContact C-N 3.33Å; D487-N490 PolarHBondContact O-N 3.33Å; D487-S491 VanDerWaalsContact O-CB 3.24Å; D487-S491 WeakPolarHBondContact O-CB 3.48Å; D487-S491 PolarHBondContact O-N 2.99Å; D487-N787 PolarHBondContact OD2-ND2 3.22Å
488T41.2Very low46.6Very low52 Ų5296.6 Ų96.632%0.31950%0.498SS..Hα-helixtrans-71.4-30.6172.652.70000111.6I483 S485 S491 L492I483-T488 WeakPolarHBondContact O-CB 3.5Å; I483-T488 WeakPolarHBondContact O-CG2 3.34Å; I483-T488 PolarHBondContact O-OG1 3.11Å; S485-T488 PolarHBondContact O-N 3.03Å; S485-T488 PolarHBondContact O-OG1 3.38Å; T488-S491 PolarHBondContact O-N 2.88Å; T488-L492 WeakPolarHBondContact O-CB 3.48Å; T488-L492 WeakPolarHBondContact O-CD1 3.43Å; T488-L492 PolarHBondContact O-N 2.93Å
489K37.7Very low45.1Very low145 Ų145105.3 Ų105.363%0.6354%0.535SS*.Hα-helixtrans-67.6-39.9169.6-93.9-175.11761800111.8D487 S491 S493D487-K489 VanDerWaalsContact C-N 3.33Å; K489-S491 VanDerWaalsContact C-N 3.34Å; K489-S493 WeakPolarHBondContact O-CB 3.29Å; K489-S493 PolarHBondContact O-N 3.04Å
490N40.7Very low43.9Very low107 Ų107103.8 Ų103.857%0.57253%0.532SS*.Hα-helixtrans-67.4-35.9174.5-71.4-16.7000111.9S486 D487 S494S486-N490 PolarHBondContact O-N 2.65Å; D487-N490 PolarHBondContact O-N 3.33Å; N490-S494 WeakPolarHBondContact O-CB 3.41Å; N490-S494 PolarHBondContact O-N 3.2Å; N490-S494 VanDerWaalsContact O-N 3.09Å; N490-S494 PolarHBondContact O-OG 3.18Å
491S40.8Very low42.6Very low42 Ų42105.1 Ų105.129%0.29454%0.538SS..Hα-helixtrans-74.6-38.7176.41760000114D487 T488 K489 S494 R495D487-S491 VanDerWaalsContact O-CB 3.24Å; D487-S491 WeakPolarHBondContact O-CB 3.48Å; D487-S491 PolarHBondContact O-N 2.99Å; T488-S491 PolarHBondContact O-N 2.88Å; K489-S491 VanDerWaalsContact C-N 3.34Å; S491-S494 PolarHBondContact O-OG 3.36Å; S491-S494 VanDerWaalsContact O-OG 3.05Å; S491-R495 PolarHBondContact O-N 3.03Å
492L37.8Very low41.6Very low109 Ų109109.5 Ų109.557%0.57156%0.557SS**Hα-helixtrans-76.3-32.1175-96.5103000112.6T488 R495T488-L492 WeakPolarHBondContact O-CB 3.48Å; T488-L492 WeakPolarHBondContact O-CD1 3.43Å; T488-L492 PolarHBondContact O-N 2.93Å; L492-R495 VanDerWaalsContact O-CB 3.23Å; L492-R495 WeakPolarHBondContact O-CB 3.35Å; L492-R495 PolarHBondContact O-N 3.21Å
493S41.4Very low40.6Very low94 Ų94111.7 Ų111.766%0.65756%0.562SS**Hα-helixtrans-64.2-41.7170.8176.10000111.1K489 R495K489-S493 WeakPolarHBondContact O-CB 3.29Å; K489-S493 PolarHBondContact O-N 3.04Å; S493-R495 PolarHBondContact O-N 2.84Å
494S39.4Very low39.9Very low47 Ų47115.2 Ų115.233%0.32957%0.57SS.*Hα-helixtrans-75.7-8.5177.473.70000114.2N490 S491 K496 N497N490-S494 WeakPolarHBondContact O-CB 3.41Å; N490-S494 PolarHBondContact O-N 3.2Å; N490-S494 VanDerWaalsContact O-N 3.09Å; N490-S494 PolarHBondContact O-OG 3.18Å; S491-S494 PolarHBondContact O-OG 3.36Å; S491-S494 VanDerWaalsContact O-OG 3.05Å; S494-K496 PolarHBondContact O-N 3.11Å; S494-K496 VanDerWaalsContact O-N 3.08Å; S494-N497 PolarHBondContact O-N 3.03Å
495R38.7Very low39.4Very low184 Ų184115.4 Ų115.469%0.69457%0.571SS**THydrogen-bonded Turntrans-62.1-15.6176.8-134.8177.1-166.2178.63.6113.8S491 L492 S493 N497S491-R495 PolarHBondContact O-N 3.03Å; L492-R495 VanDerWaalsContact O-CB 3.23Å; L492-R495 WeakPolarHBondContact O-CB 3.35Å; L492-R495 PolarHBondContact O-N 3.21Å; S493-R495 PolarHBondContact O-N 2.84Å; R495-N497 VanDerWaalsContact C-N 3.27Å
496K41.9Very low38.8Very low198 Ų198121.6 Ų121.686%0.86159%0.588SS**THydrogen-bonded Turntrans-69.7-20.4168.8-79-172.5175.6-178.30113.2S494 K498S494-K496 PolarHBondContact O-N 3.11Å; S494-K496 VanDerWaalsContact O-N 3.08Å; K496-K498 PolarHBondContact O-N 3.15Å
497N35.6Very low38.6Very low131 Ų131120.8 Ų120.870%0.70158%0.583SS**SBendtrans-98.979.9174-78.8-11.7000110.6S494 R495 K499S494-N497 PolarHBondContact O-N 3.03Å; R495-N497 VanDerWaalsContact C-N 3.27Å; N497-K499 PolarHBondContact O-N 3.3Å
498K39.8Very low38.1Very low201 Ų201123.5 Ų123.587%0.87460%0.597SS**THydrogen-bonded Turntrans-71.522.8-169.3-141.2180-173.4-178.20115.9K496K496-K498 PolarHBondContact O-N 3.15Å
499K35.1Very low38.1Very low202 Ų202123 Ų12388%0.87859%0.594SS**THydrogen-bonded Turntrans-135.15.1-175.4-101.5-174179.1-177.60118.7N497N497-K499 PolarHBondContact O-N 3.3Å
500S39.1Very low38.1Very low57 Ų57120.4 Ų120.440%0.39960%0.6SS.*  trans-151.225.6175.963.60000115.9I502 Q503 Y504S500-I502 VanDerWaalsContact C-N 3.31Å; S500-I502 PolarHBondContact O-N 3.15Å; S500-Q503 CarbonylContact O-C 3.57Å; S500-Q503 PolarHBondContact O-N 2.64Å; S500-Y504 WeakPolarHBondContact O-CB 3.41Å; S500-Y504 PolarHBondContact O-N 3.27Å
501L37.2Very low38Very low79 Ų79122.9 Ų122.941%0.41461%0.613SS.*Hα-helixtrans-60.7-46.1170.4-15186.4000109.8Q503 Y504 Y505L501-Q503 VanDerWaalsContact C-N 3.3Å; L501-Q503 PolarHBondContact O-N 3.5Å; L501-Y504 PolarHBondContact O-N 2.9Å; L501-Y505 HydrophobicContact CD2-CD2 4.28Å; L501-Y505 HydrophobicContact CD2-CE2 3.85Å; L501-Y505 HydrophobicContact CG-CD2 3.95Å; L501-Y505 HydrophobicContact CG-CE2 3.86Å; L501-Y505 WeakPolarHBondContact O-CB 3.45Å; L501-Y505 WeakPolarHBondContact O-CD2 3.35Å; L501-Y505 PolarHBondContact O-N 3.22Å
502I35.9Very low38.2Very low133 Ų133125.2 Ų125.268%0.68262%0.621SS**Hα-helixtrans-58.8-43.7174.2-61173.2000110.3S500 Y505 Y506S500-I502 VanDerWaalsContact C-N 3.31Å; S500-I502 PolarHBondContact O-N 3.15Å; I502-Y505 PolarHBondContact O-N 3.45Å; I502-Y506 HydrophobicContact CG2-CD2 3.92Å; I502-Y506 HydrophobicContact CG2-CE2 4.06Å; I502-Y506 WeakPolarHBondContact O-CD2 2.92Å; I502-Y506 PolarHBondContact O-N 2.74Å
503Q32.1Very low38.9Very low138 Ų138124.9 Ų124.965%0.64563%0.628SS**Hα-helixtrans-72.2-34.3-178.3-128.4170.2-7.900113.5S500 L501 Y505 Y506 S507S500-Q503 CarbonylContact O-C 3.57Å; S500-Q503 PolarHBondContact O-N 2.64Å; L501-Q503 VanDerWaalsContact C-N 3.3Å; L501-Q503 PolarHBondContact O-N 3.5Å; Q503-Y505 VanDerWaalsContact C-N 3.35Å; Q503-Y506 CarbonylContact O-C 3.59Å; Q503-Y506 PolarHBondContact O-N 3.07Å; Q503-S507 WeakPolarHBondContact O-CA 3.39Å; Q503-S507 WeakPolarHBondContact O-CB 3.14Å; Q503-S507 PolarHBondContact O-N 3.09Å; Q503-S507 PolarHBondContact O-OG 3.2Å
504Y36.6Very low39.6Very low160 Ų160123.1 Ų123.163%0.62761%0.608SS**Hα-helixtrans-71.1-30.5173.6-170.5-92.4000111.7S500 L501 Y506S500-Y504 WeakPolarHBondContact O-CB 3.41Å; S500-Y504 PolarHBondContact O-N 3.27Å; L501-Y504 PolarHBondContact O-N 2.9Å; Y504-Y506 VanDerWaalsContact C-N 3.26Å; Y504-Y506 PolarHBondContact O-N 3.31Å
505Y37.8Very low41Very low148 Ų148121.9 Ų121.958%0.5860%0.599SS**Hα-helixtrans-70.6-18.8170.5-93-80.3000113.4L501 I502 Q503L501-Y505 HydrophobicContact CD2-CD2 4.28Å; L501-Y505 HydrophobicContact CD2-CE2 3.85Å; L501-Y505 HydrophobicContact CG-CD2 3.95Å; L501-Y505 HydrophobicContact CG-CE2 3.86Å; L501-Y505 WeakPolarHBondContact O-CB 3.45Å; L501-Y505 WeakPolarHBondContact O-CD2 3.35Å; L501-Y505 PolarHBondContact O-N 3.22Å; I502-Y505 PolarHBondContact O-N 3.45Å; Q503-Y505 VanDerWaalsContact C-N 3.35Å
506Y38.6Very low42.6Very low178 Ų178113.5 Ų113.570%0.69857%0.568SS**Hα-helixtrans-114.6-16.6-179.5-77.5-72.2000114.5I502 Q503 Y504I502-Y506 HydrophobicContact CG2-CD2 3.92Å; I502-Y506 HydrophobicContact CG2-CE2 4.06Å; I502-Y506 WeakPolarHBondContact O-CD2 2.92Å; I502-Y506 PolarHBondContact O-N 2.74Å; Q503-Y506 CarbonylContact O-C 3.59Å; Q503-Y506 PolarHBondContact O-N 3.07Å; Y504-Y506 VanDerWaalsContact C-N 3.26Å; Y504-Y506 PolarHBondContact O-N 3.31Å
507S37.1Very low44.2Very low66 Ų66108.4 Ų108.446%0.46255%0.55SS..Hα-helixtrans-82.4-36.9-170.8650000114.2Q503Q503-S507 WeakPolarHBondContact O-CA 3.39Å; Q503-S507 WeakPolarHBondContact O-CB 3.14Å; Q503-S507 PolarHBondContact O-N 3.09Å; Q503-S507 PolarHBondContact O-OG 3.2Å
508D36.2Very low45.9Very low123 Ų123104.6 Ų104.666%0.65853%0.532SS*.THydrogen-bonded Turntrans-94.34.1-173.4-74.37000113.3
509T40.1Very low47.6Very low41 Ų4199.7 Ų99.725%0.25252%0.515SS..THydrogen-bonded Turntrans-132.734-177.663.30000113.8D511 L512T509-D511 PolarHBondContact O-N 3Å; T509-L512 PolarHBondContact O-N 2.79Å
510A38.4Very low49.7Very low90 Ų9091.7 Ų91.774%0.74448%0.482SS*.THydrogen-bonded Turntrans-54.5-20.4178.300000114.2
511D38.8Very low51.5Low160 Ų16089.1 Ų89.186%0.85646%0.464SS*.THydrogen-bonded Turntrans-100.4-1.8-177.8-72.3-25.3000116.1T509T509-D511 PolarHBondContact O-N 3Å
512L45.6Very low53.6Low90 Ų9088.8 Ų88.847%0.47146%0.46SS..  trans-117.790.6172.2-104.989.8000110.9T509 Y514T509-L512 PolarHBondContact O-N 2.79Å; L512-Y514 VanDerWaalsContact C-N 3.34Å; L512-Y514 HydrophobicContact CB-CE2 4.31Å; L512-Y514 HydrophobicContact CD2-CE1 4.06Å; L512-Y514 WeakPolarHBondContact O-CD2 3.38Å; L512-Y514 PolarHBondContact O-N 3.07Å
513S51.3Low55.9Low102 Ų10286.3 Ų86.371%0.71345%0.447SS*.  trans-65.293164.460.70000109.4S515S513-S515 PolarHBondContact O-N 2.68Å
514Y56.6Low58.4Low57 Ų5779.8 Ų79.822%0.22442%0.417CS..  trans-59.5133.9169.9-67-75.3000109.9L512 F516 S784 H786 F789L512-Y514 VanDerWaalsContact C-N 3.34Å; L512-Y514 HydrophobicContact CB-CE2 4.31Å; L512-Y514 HydrophobicContact CD2-CE1 4.06Å; L512-Y514 WeakPolarHBondContact O-CD2 3.38Å; L512-Y514 PolarHBondContact O-N 3.07Å; Y514-F516 VanDerWaalsContact C-N 3.26Å; Y514-F516 PolarHBondContact O-N 3.09Å; Y514-S784 WeakPolarHBondContact CE1-OG 3.47Å; Y514-S784 PolarHBondContact OH-OG 2.71Å; Y514-H786 AromaticContact CZ-CD2 3.75Å; Y514-H786 AromaticContact CZ-NE2 3.94Å; Y514-H786 PolarHBondContact OH-CD2 3.21Å; Y514-H786 PolarHBondContact OH-NE2 2.82Å; Y514-F789 HydrophobicContact CD1-CE2 4.19Å
515S69.1Low60.7Low21 Ų2172.7 Ų72.715%0.14739%0.39CS..SBendtrans-73.4-14.8178.5-65.70000113.8S513 G570 N571 Y779S513-S515 PolarHBondContact O-N 2.68Å; S515-G570 CarbonylContact O-C 3.37Å; S515-G570 WeakPolarHBondContact O-CA 3.47Å; S515-N571 WeakPolarHBondContact CB-O 3.28Å; S515-N571 PolarHBondContact O-N 3.05Å; S515-N571 PolarHBondContact OG-O 2.98Å; S515-N571 VanDerWaalsContact OG-O 3.1Å; S515-Y779 WeakPolarHBondContact CB-O 3.49Å
516F72.6Confident63Low9 Ų973.5 Ų73.54%0.03939%0.393CS..SBendtrans-132.2143.2-173.9-52.6-55.5000112.9Y514 P518 L566 I567 V572 I776Y514-F516 VanDerWaalsContact C-N 3.26Å; Y514-F516 PolarHBondContact O-N 3.09Å; F516-P518 WeakPolarHBondContact O-CD 3.36Å; F516-L566 WeakPolarHBondContact CD1-O 3.49Å; F516-I567 HydrophobicContact CE1-CB 4.15Å; F516-I567 HydrophobicContact CE1-CG1 4.13Å; F516-I567 HydrophobicContact CE1-CG2 3.99Å; F516-I567 HydrophobicContact CZ-CB 4.49Å; F516-I567 HydrophobicContact CZ-CG1 4.14Å; F516-I567 HydrophobicContact CZ-CG2 4.15Å; F516-V572 HydrophobicContact CE1-CG1 3.7Å; F516-V572 HydrophobicContact CZ-CG1 3.75Å; F516-I776 HydrophobicContact CE2-CG2 4.22Å
517D73.8Confident65.4Low90 Ų9068.3 Ų68.348%0.48137%0.374SS..  trans-70.7120.3171.3-177.1-7.6000110.7L519 L520 V521D517-L519 PolarHBondContact O-N 2.97Å; D517-L519 VanDerWaalsContact OD1-CB 3.29Å; D517-L519 WeakPolarHBondContact OD1-CB 3.44Å; D517-L519 PolarHBondContact OD1-N 3.21Å; D517-L520 HydrophobicContact CB-CB 4.35Å; D517-L520 PolarHBondContact O-N 3.32Å; D517-V521 PolarHBondContact O-N 3.03Å
518P72.7Confident67.9Low52 Ų5265.1 Ų65.134%0.33835%0.352SS..Hα-helixtrans-56-32.1174.8-23.933.5000114.2F516 L520 V521 Q522 F789F516-P518 WeakPolarHBondContact O-CD 3.36Å; P518-L520 VanDerWaalsContact C-N 3.34Å; P518-V521 PolarHBondContact O-N 2.97Å; P518-Q522 WeakPolarHBondContact O-CG 3.4Å; P518-Q522 PolarHBondContact O-N 3.11Å; P518-F789 HydrophobicContact CB-CZ 4.34Å; P518-F789 HydrophobicContact CG-CE2 4.1Å; P518-F789 HydrophobicContact CG-CZ 3.91Å
519L75.8Confident70.4Confident98 Ų9860.7 Ų60.751%0.51333%0.329SS..Hα-helixtrans-63.4-41.6179179.964.9000111D517 V521 Q522 I523D517-L519 PolarHBondContact O-N 2.97Å; D517-L519 VanDerWaalsContact OD1-CB 3.29Å; D517-L519 WeakPolarHBondContact OD1-CB 3.44Å; D517-L519 PolarHBondContact OD1-N 3.21Å; L519-V521 VanDerWaalsContact C-N 3.34Å; L519-V521 PolarHBondContact O-N 3.19Å; L519-Q522 WeakPolarHBondContact O-CB 3.49Å; L519-Q522 PolarHBondContact O-N 3.2Å; L519-I523 HydrophobicContact CG-CD1 4.11Å; L519-I523 VanDerWaalsContact O-CG1 3.3Å; L519-I523 WeakPolarHBondContact O-CG1 3.45Å; L519-I523 PolarHBondContact O-N 3.07Å
520L77.6Confident72.8Confident33 Ų3362.9 Ų62.917%0.17334%0.338CS..Hα-helixtrans-67-37.3-179.5-169.158.5000111.5D517 P518 I523 I524 L566 L569D517-L520 HydrophobicContact CB-CB 4.35Å; D517-L520 PolarHBondContact O-N 3.32Å; P518-L520 VanDerWaalsContact C-N 3.34Å; L520-I523 PolarHBondContact O-N 3.49Å; L520-I524 PolarHBondContact O-N 3.42Å; L520-L566 HydrophobicContact CB-CD2 3.59Å; L520-L566 HydrophobicContact CD2-CD2 3.66Å; L520-L566 HydrophobicContact CD2-CG 4.3Å; L520-L566 HydrophobicContact CG-CD2 3.35Å; L520-L566 HydrophobicContact CG-CG 4.16Å; L520-L569 HydrophobicContact CD2-CB 4.33Å; L520-L569 HydrophobicContact CD2-CD1 3.9Å
521V78.1Confident75.3Confident4 Ų459.9 Ų59.92%0.02431%0.311CS..Hα-helixtrans-65.8-41.1174.4-173.40000110.5D517 P518 L519 I523 I524 C525 L566 F789 I792 L793D517-V521 PolarHBondContact O-N 3.03Å; P518-V521 PolarHBondContact O-N 2.97Å; L519-V521 VanDerWaalsContact C-N 3.34Å; L519-V521 PolarHBondContact O-N 3.19Å; V521-I523 PolarHBondContact O-N 3.46Å; V521-I524 PolarHBondContact O-N 2.88Å; V521-C525 PolarHBondContact O-N 3.12Å; V521-L566 HydrophobicContact CB-CD2 4.4Å; V521-L566 HydrophobicContact CG2-CD1 4.23Å; V521-L566 HydrophobicContact CG2-CD2 3.63Å; V521-F789 HydrophobicContact CG2-CE1 4.06Å; V521-I792 HydrophobicContact CB-CG2 4.46Å; V521-I792 HydrophobicContact CG1-CG2 3.54Å; V521-L793 HydrophobicContact CG1-CD1 4.24Å
522Q80.7Confident77.8Confident72 Ų7252.6 Ų52.634%0.33627%0.273SS..Hα-helixtrans-60.3-44.8174.3-75175.88.500111.7P518 L519 I524 C525 W526 I792P518-Q522 WeakPolarHBondContact O-CG 3.4Å; P518-Q522 PolarHBondContact O-N 3.11Å; L519-Q522 WeakPolarHBondContact O-CB 3.49Å; L519-Q522 PolarHBondContact O-N 3.2Å; Q522-I524 VanDerWaalsContact C-N 3.27Å; Q522-I524 PolarHBondContact O-N 3.07Å; Q522-C525 PolarHBondContact O-N 3.39Å; Q522-W526 WeakPolarHBondContact O-CB 2.95Å; Q522-W526 PolarHBondContact O-N 3.27Å; Q522-I792 HydrophobicContact CG-CD1 3.78Å
523I83.7Confident80Confident81 Ų8151.7 Ų51.742%0.41527%0.267SS..Hα-helixtrans-56.1-42178.4-71.6165.6000111.3L519 L520 V521 W526 F527L519-I523 HydrophobicContact CG-CD1 4.11Å; L519-I523 VanDerWaalsContact O-CG1 3.3Å; L519-I523 WeakPolarHBondContact O-CG1 3.45Å; L519-I523 PolarHBondContact O-N 3.07Å; L520-I523 PolarHBondContact O-N 3.49Å; V521-I523 PolarHBondContact O-N 3.46Å; I523-W526 PolarHBondContact O-N 2.94Å; I523-F527 VanDerWaalsContact O-CB 3.3Å; I523-F527 WeakPolarHBondContact O-CB 3.49Å; I523-F527 PolarHBondContact O-N 3.32Å
524I84.7Confident81.9Confident0 Ų051.5 Ų51.50%026%0.258CS..Hα-helixtrans-63.7-47.2177.4-74.3155.1000112.1L520 V521 Q522 W526 F527 G528 L559 L562 L566 C796L520-I524 PolarHBondContact O-N 3.42Å; V521-I524 PolarHBondContact O-N 2.88Å; Q522-I524 VanDerWaalsContact C-N 3.27Å; Q522-I524 PolarHBondContact O-N 3.07Å; I524-W526 VanDerWaalsContact C-N 3.31Å; I524-W526 PolarHBondContact O-N 2.7Å; I524-F527 PolarHBondContact O-N 2.81Å; I524-G528 PolarHBondContact O-N 2.8Å; I524-L559 HydrophobicContact CG2-CD1 3.79Å; I524-L562 HydrophobicContact CB-CD2 4.21Å; I524-L562 HydrophobicContact CD1-CG 4.13Å; I524-L562 HydrophobicContact CG1-CB 4.19Å; I524-L562 HydrophobicContact CG1-CD2 3.41Å; I524-L562 VanDerWaalsContact CG1-CD2 3.41Å; I524-L562 HydrophobicContact CG1-CG 3.41Å; I524-L562 VanDerWaalsContact CG1-CG 3.41Å; I524-L566 HydrophobicContact CD1-CD1 3.13Å; I524-L566 HydrophobicContact CD1-CD2 3.83Å; I524-L566 HydrophobicContact CD1-CG 3.24Å; I524-C796 HydrophobicContact CG2-CB 4.47Å
525C84.6Confident83.7Confident11 Ų1149.3 Ų49.37%0.07425%0.25CC..Hα-helixtrans-66.1-36.1179.6-85.30000111.1V521 Q522 T529 I792 F795 C796V521-C525 PolarHBondContact O-N 3.12Å; Q522-C525 PolarHBondContact O-N 3.39Å; C525-T529 VanDerWaalsContact O-CB 3.3Å; C525-T529 WeakPolarHBondContact O-CB 3.49Å; C525-T529 PolarHBondContact O-N 3.46Å; C525-T529 PolarHBondContact O-OG1 2.87Å; C525-I792 HydrophobicContact CB-CG2 4.21Å; C525-I792 VanDerWaalsContact SG-CG2 3.51Å; C525-I792 PolarHBondContact SG-O 2.92Å; C525-F795 HydrophobicContact CB-CD1 4.06Å; C525-F795 HydrophobicContact CB-CE1 4.25Å; C525-F795 VanDerWaalsContact SG-CD1 3.56Å; C525-C796 WeakPolarHBondContact CB-SG 2.91Å; C525-C796 PolarHBondContact N-SG 2.76Å; C525-C796 VanDerWaalsContact SG-CA 3.58Å; C525-C796 WeakPolarHBondContact SG-CB 3.3Å; C525-C796 PolarHBondContact SG-N 3.01Å; C525-C796 CovalentContact SG-SG 2.06Å; C525-C796 PolarHBondContact SG-SG 2.94Å
526W86.6Confident84.7Confident165 Ų16548.3 Ų48.363%0.62524%0.243SC*.Hα-helixtrans-63.1-50.4170.8-82.9111.7000111.9Q522 I523 I524 G528 T529 I530Q522-W526 WeakPolarHBondContact O-CB 2.95Å; Q522-W526 PolarHBondContact O-N 3.27Å; I523-W526 PolarHBondContact O-N 2.94Å; I524-W526 VanDerWaalsContact C-N 3.31Å; I524-W526 PolarHBondContact O-N 2.7Å; W526-G528 PolarHBondContact O-N 3.09Å; W526-T529 PolarHBondContact O-N 3.11Å; W526-I530 WeakPolarHBondContact O-CB 3.02Å; W526-I530 VanDerWaalsContact O-CG1 3.26Å; W526-I530 WeakPolarHBondContact O-CG1 3.46Å; W526-I530 PolarHBondContact O-N 3.31Å
527F89.6Confident85.7Confident69 Ų6952.3 Ų52.330%0.30326%0.264SS..Hα-helixtrans-54.7-52176.7171.1-101.1000111.1I523 I524 T529 I530 C531 F555 L559 L562I523-F527 VanDerWaalsContact O-CB 3.3Å; I523-F527 WeakPolarHBondContact O-CB 3.49Å; I523-F527 PolarHBondContact O-N 3.32Å; I524-F527 PolarHBondContact O-N 2.81Å; F527-T529 VanDerWaalsContact C-N 3.35Å; F527-T529 PolarHBondContact O-N 2.88Å; F527-I530 PolarHBondContact O-N 3.33Å; F527-C531 WeakPolarHBondContact O-CB 3.19Å; F527-C531 PolarHBondContact O-N 2.82Å; F527-C531 PolarHBondContact O-SG 3.13Å; F527-C531 VanDerWaalsContact O-SG 3.36Å; F527-F555 HydrophobicContact CD1-CE2 4.42Å; F527-F555 HydrophobicContact CE1-CD2 4.05Å; F527-F555 AromaticContact CE1-CE2 3.98Å; F527-F555 HydrophobicContact CE1-CE2 3.98Å; F527-F555 HydrophobicContact CZ-CD2 4.48Å; F527-L559 HydrophobicContact CD1-CD1 4.22Å; F527-L562 HydrophobicContact CB-CD2 4.12Å; F527-L562 HydrophobicContact CD1-CD2 3.97Å; F527-L562 HydrophobicContact CG-CD2 4.08Å
528G89.7Confident86.5Confident0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-62.8-39.5179.800000113.3I524 W526 C531 L532 F555I524-G528 PolarHBondContact O-N 2.8Å; W526-G528 PolarHBondContact O-N 3.09Å; G528-C531 PolarHBondContact O-N 3.39Å; G528-L532 WeakPolarHBondContact O-CG 3.44Å; G528-L532 PolarHBondContact O-N 3.49Å; G528-F555 WeakPolarHBondContact O-CZ 3.42Å
529T87.7Confident87.4Confident30 Ų3046.7 Ų46.718%0.18423%0.232CC..Hα-helixtrans-65.2-45.4176.5-59.90000111.9C525 W526 F527 C531 L532 I533 F795 F880C525-T529 VanDerWaalsContact O-CB 3.3Å; C525-T529 WeakPolarHBondContact O-CB 3.49Å; C525-T529 PolarHBondContact O-N 3.46Å; C525-T529 PolarHBondContact O-OG1 2.87Å; W526-T529 PolarHBondContact O-N 3.11Å; F527-T529 VanDerWaalsContact C-N 3.35Å; F527-T529 PolarHBondContact O-N 2.88Å; T529-C531 VanDerWaalsContact C-N 3.34Å; T529-C531 PolarHBondContact O-N 3.19Å; T529-L532 PolarHBondContact O-N 3.07Å; T529-I533 HydrophobicContact CG2-CD1 4.08Å; T529-I533 WeakPolarHBondContact O-CG1 2.98Å; T529-I533 PolarHBondContact O-N 2.91Å; T529-F795 WeakPolarHBondContact OG1-CE1 3.46Å; T529-F880 HydrophobicContact CG2-CE1 4.25Å; T529-F880 HydrophobicContact CG2-CZ 3.82Å
530I90.6Very high88Confident86 Ų8644 Ų4444%0.44122%0.224SC..Hα-helixtrans-61.4-44.9177.4-69.7165.7000110.1W526 F527 L532 I533 L534W526-I530 WeakPolarHBondContact O-CB 3.02Å; W526-I530 VanDerWaalsContact O-CG1 3.26Å; W526-I530 WeakPolarHBondContact O-CG1 3.46Å; W526-I530 PolarHBondContact O-N 3.31Å; F527-I530 PolarHBondContact O-N 3.33Å; I530-L532 VanDerWaalsContact C-N 3.33Å; I530-L532 PolarHBondContact O-N 3.07Å; I530-I533 PolarHBondContact O-N 3.35Å; I530-L534 HydrophobicContact CG2-CD1 3.84Å; I530-L534 HydrophobicContact CG2-CG 4.21Å; I530-L534 WeakPolarHBondContact O-CB 3.38Å; I530-L534 WeakPolarHBondContact O-CG 3.45Å; I530-L534 PolarHBondContact O-N 3.49Å
531C92.1Very high88.7Confident27 Ų2744.4 Ų44.418%0.18223%0.23CC..Hα-helixtrans-60.5-38.6176.9-73.20000113F527 G528 T529 L534 H535 F555F527-C531 WeakPolarHBondContact O-CB 3.19Å; F527-C531 PolarHBondContact O-N 2.82Å; F527-C531 PolarHBondContact O-SG 3.13Å; F527-C531 VanDerWaalsContact O-SG 3.36Å; G528-C531 PolarHBondContact O-N 3.39Å; T529-C531 VanDerWaalsContact C-N 3.34Å; T529-C531 PolarHBondContact O-N 3.19Å; C531-L534 PolarHBondContact O-N 2.76Å; C531-H535 WeakPolarHBondContact O-CB 3.36Å; C531-H535 PolarHBondContact O-N 3.41Å; C531-F555 HydrophobicContact CB-CD1 4.11Å; C531-F555 HydrophobicContact CB-CD2 3.8Å; C531-F555 HydrophobicContact CB-CE1 3.77Å; C531-F555 HydrophobicContact CB-CE2 3.47Å; C531-F555 VanDerWaalsContact CB-CE2 3.47Å; C531-F555 HydrophobicContact CB-CG 4.14Å; C531-F555 HydrophobicContact CB-CZ 3.46Å; C531-F555 VanDerWaalsContact CB-CZ 3.46Å
532L91.4Very high89.1Confident8 Ų845.3 Ų45.34%0.04224%0.237CC..Hα-helixtrans-66.9-38.7175.1-72.3178.9000112.8G528 T529 I530 H535 A536 W552 F555 W798 L799 F880G528-L532 WeakPolarHBondContact O-CG 3.44Å; G528-L532 PolarHBondContact O-N 3.49Å; T529-L532 PolarHBondContact O-N 3.07Å; I530-L532 VanDerWaalsContact C-N 3.33Å; I530-L532 PolarHBondContact O-N 3.07Å; L532-H535 PolarHBondContact O-N 3.08Å; L532-A536 PolarHBondContact O-N 3.25Å; L532-A536 VanDerWaalsContact O-N 3.07Å; L532-W552 HydrophobicContact CD2-CH2 3.92Å; L532-W552 HydrophobicContact CD2-CZ3 4.18Å; L532-F555 HydrophobicContact CD2-CE1 3.93Å; L532-F555 HydrophobicContact CG-CE1 4.19Å; L532-F555 HydrophobicContact CG-CZ 4.46Å; L532-W798 HydrophobicContact CD1-CH2 4.4Å; L532-W798 HydrophobicContact CD1-CZ3 4.18Å; L532-L799 HydrophobicContact CD1-CD2 3.42Å; L532-L799 VanDerWaalsContact CD1-CD2 3.42Å; L532-L799 HydrophobicContact CG-CD2 4.34Å; L532-F880 HydrophobicContact CB-CD1 4.11Å; L532-F880 HydrophobicContact CB-CE1 4.17Å; L532-F880 HydrophobicContact CD1-CD1 3.8Å; L532-F880 HydrophobicContact CD1-CE1 4.11Å; L532-F880 HydrophobicContact CD1-CG 4.11Å
533I90.4Very high89.4Confident70 Ų7044.9 Ų44.936%0.35924%0.241SC..Hα-helixtrans-66.7-44.5175.4-66.3167.5000110.1T529 I530 H535 A536 I537T529-I533 HydrophobicContact CG2-CD1 4.08Å; T529-I533 WeakPolarHBondContact O-CG1 2.98Å; T529-I533 PolarHBondContact O-N 2.91Å; I530-I533 PolarHBondContact O-N 3.35Å; I533-H535 VanDerWaalsContact C-N 3.33Å; I533-H535 PolarHBondContact O-N 3.15Å; I533-A536 PolarHBondContact O-N 2.8Å; I533-I537 HydrophobicContact CG2-CD1 3.95Å; I533-I537 WeakPolarHBondContact O-CG1 3.48Å; I533-I537 PolarHBondContact O-N 3.24Å
534L92.1Very high89.7Confident98 Ų9847.5 Ų47.551%0.51325%0.246SC..Hα-helixtrans-62.1-39.8176.5-71.9175.4000111.9I530 C531 I537 S538I530-L534 HydrophobicContact CG2-CD1 3.84Å; I530-L534 HydrophobicContact CG2-CG 4.21Å; I530-L534 WeakPolarHBondContact O-CB 3.38Å; I530-L534 WeakPolarHBondContact O-CG 3.45Å; I530-L534 PolarHBondContact O-N 3.49Å; C531-L534 PolarHBondContact O-N 2.76Å; L534-I537 PolarHBondContact O-N 2.91Å; L534-S538 WeakPolarHBondContact O-CB 3.3Å; L534-S538 PolarHBondContact O-N 2.82Å
535H93.3Very high89.9Confident11 Ų1147.6 Ų47.65%0.05125%0.247CC..Hα-helixtrans-57-50.1171.7165-104.4000111.1C531 L532 I533 I537 S538 L539 E548 L551 W552C531-H535 WeakPolarHBondContact O-CB 3.36Å; C531-H535 PolarHBondContact O-N 3.41Å; L532-H535 PolarHBondContact O-N 3.08Å; I533-H535 VanDerWaalsContact C-N 3.33Å; I533-H535 PolarHBondContact O-N 3.15Å; H535-I537 VanDerWaalsContact C-N 3.28Å; H535-I537 PolarHBondContact O-N 2.87Å; H535-S538 WeakPolarHBondContact O-CB 3.44Å; H535-S538 PolarHBondContact O-N 3.28Å; H535-S538 PolarHBondContact O-OG 3.49Å; H535-L539 PolarHBondContact O-N 3.38Å; H535-E548 IonicContact CD2-OE1 2.82Å; H535-E548 IonicContact CE1-OE1 3.4Å; H535-E548 IonicContact NE2-OE1 2.71Å; H535-E548 PolarHBondContact NE2-OE1 3.3Å; H535-L551 HydrophobicContact CB-CD1 4.3Å; H535-L551 HydrophobicContact CB-CD2 3.96Å; H535-W552 AromaticContact CD2-CZ2 3.9Å; H535-W552 AromaticContact CE1-CZ2 3.6Å; H535-W552 AromaticContact ND1-CZ2 3.88Å; H535-W552 AromaticContact NE2-CE2 3.96Å; H535-W552 AromaticContact NE2-CZ2 3.59Å; H535-W552 AromaticContact NE2-NE1 3.84Å
536A92Very high90Very high1 Ų149.5 Ų49.51%0.00826%0.255CS..Hα-helixtrans-62.5-36.2-178.800000112.4L532 I533 L883 P884 L887L532-A536 PolarHBondContact O-N 3.25Å; L532-A536 VanDerWaalsContact O-N 3.07Å; I533-A536 PolarHBondContact O-N 2.8Å; A536-L883 HydrophobicContact CB-CD2 4.09Å; A536-L883 HydrophobicContact CB-CG 4.08Å; A536-P884 HydrophobicContact CB-CB 4.17Å; A536-L887 HydrophobicContact CB-CD1 3.63Å
537I91.9Very high90.1Very high92 Ų9243.3 Ų43.347%0.47223%0.233SC..Hα-helixtrans-70.4-37.9173.4-65.7167.8000111.6I533 L534 H535 L539 A540I533-I537 HydrophobicContact CG2-CD1 3.95Å; I533-I537 WeakPolarHBondContact O-CG1 3.48Å; I533-I537 PolarHBondContact O-N 3.24Å; L534-I537 PolarHBondContact O-N 2.91Å; H535-I537 VanDerWaalsContact C-N 3.28Å; H535-I537 PolarHBondContact O-N 2.87Å; I537-L539 PolarHBondContact O-N 3.37Å; I537-L539 VanDerWaalsContact O-N 3.14Å; I537-A540 WeakPolarHBondContact O-CB 3.4Å; I537-A540 PolarHBondContact O-N 2.97Å
538S91.9Very high90.3Very high21 Ų2140.5 Ų40.515%0.14722%0.221CC..Hα-helixtrans-61.7-23.9-177.275.60000113.2L534 H535 A540 S541 W544L534-S538 WeakPolarHBondContact O-CB 3.3Å; L534-S538 PolarHBondContact O-N 2.82Å; H535-S538 WeakPolarHBondContact O-CB 3.44Å; H535-S538 PolarHBondContact O-N 3.28Å; H535-S538 PolarHBondContact O-OG 3.49Å; S538-A540 PolarHBondContact O-N 3.26Å; S538-S541 PolarHBondContact O-N 2.92Å; S538-W544 WeakPolarHBondContact O-CB 3.26Å
539L90.2Very high90.4Very high3 Ų340.6 Ų40.62%0.01622%0.221CC..THydrogen-bonded Turntrans-62.6-9.9175.1-62.7179.4000113.6H535 I537 S541 P884 C888 F891 F905H535-L539 PolarHBondContact O-N 3.38Å; I537-L539 PolarHBondContact O-N 3.37Å; I537-L539 VanDerWaalsContact O-N 3.14Å; L539-S541 PolarHBondContact O-N 2.77Å; L539-P884 HydrophobicContact CD1-CB 4.01Å; L539-C888 HydrophobicContact CD1-CB 4.38Å; L539-F891 HydrophobicContact CB-CD2 4.25Å; L539-F891 HydrophobicContact CB-CE2 4.28Å; L539-F905 WeakPolarHBondContact O-CE1 3.3Å
540A90Very high90.6Very high41 Ų4140.9 Ų40.934%0.33922%0.221SC..THydrogen-bonded Turntrans-68.7-22.6170.700000113.1I537 S538 F891I537-A540 WeakPolarHBondContact O-CB 3.4Å; I537-A540 PolarHBondContact O-N 2.97Å; S538-A540 PolarHBondContact O-N 3.26Å; A540-F891 HydrophobicContact CB-CD1 3.87Å; A540-F891 HydrophobicContact CB-CD2 3.97Å; A540-F891 HydrophobicContact CB-CE1 3.66Å; A540-F891 HydrophobicContact CB-CE2 3.75Å; A540-F891 HydrophobicContact CB-CG 4.04Å; A540-F891 HydrophobicContact CB-CZ 3.61Å
541S90.7Very high90.7Very high43 Ų4338.3 Ų38.330%0.30121%0.207SC..SBendtrans-102.6127.2-177173.80000110.5S538 L539 S543 W544 A545S538-S541 PolarHBondContact O-N 2.92Å; L539-S541 PolarHBondContact O-N 2.77Å; S541-S543 VanDerWaalsContact C-N 3.34Å; S541-S543 PolarHBondContact O-N 2.83Å; S541-S543 PolarHBondContact OG-OG 2.62Å; S541-S543 VanDerWaalsContact OG-OG 3.07Å; S541-W544 PolarHBondContact O-N 3.06Å; S541-A545 PolarHBondContact O-N 3.45Å
542S87.1Confident90.8Very high23 Ų2337 Ų3716%0.16120%0.199CC..Hα-helixtrans-60.3-43.7-179.257.80000112W544 A545 E546 F900S542-W544 VanDerWaalsContact C-N 3.29Å; S542-W544 PolarHBondContact O-N 3.35Å; S542-A545 PolarHBondContact O-N 2.96Å; S542-E546 VanDerWaalsContact O-CG 3.28Å; S542-E546 WeakPolarHBondContact O-CG 3.4Å; S542-E546 PolarHBondContact O-N 3.03Å; S542-F900 WeakPolarHBondContact OG-CD2 3.38Å
543S87.8Confident90.9Very high62 Ų6237.5 Ų37.543%0.43420%0.2SC..Hα-helixtrans-62.7-34.2179.154.60000113.1S541 E547S541-S543 VanDerWaalsContact C-N 3.34Å; S541-S543 PolarHBondContact O-N 2.83Å; S541-S543 PolarHBondContact OG-OG 2.62Å; S541-S543 VanDerWaalsContact OG-OG 3.07Å; S543-E547 WeakPolarHBondContact O-CB 3.41Å; S543-E547 WeakPolarHBondContact O-CG 2.87Å; S543-E547 PolarHBondContact O-N 2.85Å; S543-E547 VanDerWaalsContact O-N 3.12Å
544W89Confident91Very high136 Ų13640.7 Ų40.752%0.51521%0.208SC..Hα-helixtrans-74.2-38.4175.9-81.394.7000112S538 S541 S542 E546 E547 E548 L551S538-W544 WeakPolarHBondContact O-CB 3.26Å; S541-W544 PolarHBondContact O-N 3.06Å; S542-W544 VanDerWaalsContact C-N 3.29Å; S542-W544 PolarHBondContact O-N 3.35Å; W544-E546 VanDerWaalsContact C-N 3.32Å; W544-E547 CarbonylContact O-C 3.34Å; W544-E547 PolarHBondContact O-N 3.13Å; W544-E548 WeakPolarHBondContact O-CA 3.48Å; W544-E548 PolarHBondContact O-N 3.22Å; W544-L551 HydrophobicContact CZ3-CD1 4.28Å
545A88.3Confident91.1Very high3 Ų336.5 Ų36.53%0.02519%0.186CC..Hα-helixtrans-62.9-39.4173.700000111.7S541 S542 L816 V904S541-A545 PolarHBondContact O-N 3.45Å; S542-A545 PolarHBondContact O-N 2.96Å; A545-L816 HydrophobicContact CB-CD2 4.24Å; A545-V904 HydrophobicContact CB-CG1 3.73Å
546E86.8Confident91.2Very high50 Ų5036 Ų3623%0.23418%0.184CC..Hα-helixtrans-67-36.6175.9-69.3177.9135.900112.9S542 W544 N603 L816 V904S542-E546 VanDerWaalsContact O-CG 3.28Å; S542-E546 WeakPolarHBondContact O-CG 3.4Å; S542-E546 PolarHBondContact O-N 3.03Å; W544-E546 VanDerWaalsContact C-N 3.32Å; E546-N603 HydrophobicContact CB-CB 4.27Å; E546-N603 WeakPolarHBondContact CG-ND2 3.08Å; E546-N603 PolarHBondContact OE1-ND2 3.28Å; E546-L816 HydrophobicContact CG-CD2 4.49Å; E546-V904 HydrophobicContact CG-CG1 4.27Å; E546-V904 HydrophobicContact CG-CG2 3.93Å
547E90.7Very high91.2Very high36 Ų3638 Ų3817%0.16820%0.198CC..THydrogen-bonded Turntrans-105.423-175.4-60.5-68.9129.500113.2S543 W544 H549 Q550 N603 K604 W605S543-E547 WeakPolarHBondContact O-CB 3.41Å; S543-E547 WeakPolarHBondContact O-CG 2.87Å; S543-E547 PolarHBondContact O-N 2.85Å; S543-E547 VanDerWaalsContact O-N 3.12Å; W544-E547 CarbonylContact O-C 3.34Å; W544-E547 PolarHBondContact O-N 3.13Å; E547-H549 PolarHBondContact O-N 3.42Å; E547-H549 VanDerWaalsContact O-N 3.09Å; E547-H549 IonicContact OE2-CE1 3.98Å; E547-H549 PolarHBondContact OE2-CE1 3.22Å; E547-H549 IonicContact OE2-NE2 3.94Å; E547-Q550 WeakPolarHBondContact O-CB 3.29Å; E547-Q550 PolarHBondContact O-N 3.06Å; E547-N603 PolarHBondContact OE1-N 3.43Å; E547-K604 VanDerWaalsContact OE1-CB 3.29Å; E547-K604 WeakPolarHBondContact OE1-CB 3.11Å; E547-K604 PolarHBondContact OE1-N 2.71Å; E547-W605 PolarHBondContact OE2-NE1 3.4Å
548E92.6Very high91.2Very high9 Ų936 Ų364%0.04219%0.192CC..Hα-helixtrans-55.3-33.6-174.1-177.3-177.5-177.800113.2H535 W544 Q550 L551 W552 F810 K908H535-E548 IonicContact CD2-OE1 2.82Å; H535-E548 IonicContact CE1-OE1 3.4Å; H535-E548 IonicContact NE2-OE1 2.71Å; H535-E548 PolarHBondContact NE2-OE1 3.3Å; W544-E548 WeakPolarHBondContact O-CA 3.48Å; W544-E548 PolarHBondContact O-N 3.22Å; E548-Q550 PolarHBondContact O-N 3.45Å; E548-L551 WeakPolarHBondContact O-CB 3.25Å; E548-L551 PolarHBondContact O-N 3.37Å; E548-L551 VanDerWaalsContact O-N 3.07Å; E548-W552 VanDerWaalsContact O-CD1 3.27Å; E548-W552 PolarHBondContact O-N 3.26Å; E548-W552 PolarHBondContact OE1-NE1 2.69Å; E548-W552 VanDerWaalsContact OE1-NE1 3.12Å; E548-F810 HydrophobicContact CB-CZ 4.07Å; E548-F810 HydrophobicContact CG-CE2 4.36Å; E548-F810 HydrophobicContact CG-CZ 3.94Å; E548-K908 VanDerWaalsContact CD-NZ 3.28Å; E548-K908 IonicContact OE1-NZ 2.85Å; E548-K908 PolarHBondContact OE1-NZ 2.93Å; E548-K908 IonicContact OE2-NZ 3.32Å; E548-K908 PolarHBondContact OE2-NZ 3.32Å
549H91.9Very high91.2Very high3 Ų335 Ų351%0.01419%0.185CC..Hα-helixtrans-53.9-35.9176.666.4-75.9000113E547 L551 W552 Y553 T601 G602 W605 F810E547-H549 PolarHBondContact O-N 3.42Å; E547-H549 VanDerWaalsContact O-N 3.09Å; E547-H549 IonicContact OE2-CE1 3.98Å; E547-H549 PolarHBondContact OE2-CE1 3.22Å; E547-H549 IonicContact OE2-NE2 3.94Å; H549-L551 PolarHBondContact O-N 3.32Å; H549-W552 PolarHBondContact O-N 3.41Å; H549-Y553 HydrophobicContact CB-CE2 4.18Å; H549-Y553 AromaticContact CD2-CE2 3.81Å; H549-Y553 VanDerWaalsContact O-CD2 3.26Å; H549-Y553 WeakPolarHBondContact O-CD2 3.45Å; H549-Y553 VanDerWaalsContact O-CG 3.23Å; H549-Y553 PolarHBondContact O-N 3.29Å; H549-T601 WeakPolarHBondContact CB-OG1 3.47Å; H549-T601 PolarHBondContact CD2-OG1 2.94Å; H549-T601 PolarHBondContact CE1-O 3.44Å; H549-T601 PolarHBondContact NE2-O 2.82Å; H549-G602 WeakPolarHBondContact CE1-CA 3.41Å; H549-W605 AromaticContact NE2-CD1 3.89Å; H549-F810 HydrophobicContact CB-CB 3.86Å; H549-F810 HydrophobicContact CB-CD1 3.46Å; H549-F810 VanDerWaalsContact CB-CD1 3.46Å; H549-F810 HydrophobicContact CB-CD2 4.06Å; H549-F810 HydrophobicContact CB-CE1 3.98Å; H549-F810 HydrophobicContact CB-CG 3.51Å
550Q92Very high91.2Very high36 Ų3634.9 Ų34.917%0.16819%0.185CC..Hα-helixtrans-62.6-45.3177.7-64.5-66.4-23.500110.8E547 E548 W552 Y553 Y554E547-Q550 WeakPolarHBondContact O-CB 3.29Å; E547-Q550 PolarHBondContact O-N 3.06Å; E548-Q550 PolarHBondContact O-N 3.45Å; Q550-W552 VanDerWaalsContact C-N 3.31Å; Q550-W552 PolarHBondContact O-N 3.22Å; Q550-Y553 PolarHBondContact O-N 3.5Å; Q550-Y554 HydrophobicContact CB-CD2 4.35Å; Q550-Y554 HydrophobicContact CB-CE2 4.3Å; Q550-Y554 WeakPolarHBondContact O-CD2 3.23Å; Q550-Y554 PolarHBondContact O-N 3.23Å
551L92.5Very high91.2Very high31 Ų3137.4 Ų37.416%0.16219%0.192CC..Hα-helixtrans-57.5-47.2178.6177.4139000110.4H535 W544 E548 H549 Y554 F555H535-L551 HydrophobicContact CB-CD1 4.3Å; H535-L551 HydrophobicContact CB-CD2 3.96Å; W544-L551 HydrophobicContact CZ3-CD1 4.28Å; E548-L551 WeakPolarHBondContact O-CB 3.25Å; E548-L551 PolarHBondContact O-N 3.37Å; E548-L551 VanDerWaalsContact O-N 3.07Å; H549-L551 PolarHBondContact O-N 3.32Å; L551-Y554 PolarHBondContact O-N 2.87Å; L551-F555 WeakPolarHBondContact O-CB 3.38Å; L551-F555 PolarHBondContact O-N 3.44Å
552W94.4Very high91.1Very high1 Ų137.3 Ų37.30%0.00419%0.188CC..Hα-helixtrans-66-39.8179.8-67.5108.7000113.1L532 H535 E548 H549 Q550 F555 S556 W802 T803 W806 V807 F810L532-W552 HydrophobicContact CD2-CH2 3.92Å; L532-W552 HydrophobicContact CD2-CZ3 4.18Å; H535-W552 AromaticContact CD2-CZ2 3.9Å; H535-W552 AromaticContact CE1-CZ2 3.6Å; H535-W552 AromaticContact ND1-CZ2 3.88Å; H535-W552 AromaticContact NE2-CE2 3.96Å; H535-W552 AromaticContact NE2-CZ2 3.59Å; H535-W552 AromaticContact NE2-NE1 3.84Å; E548-W552 VanDerWaalsContact O-CD1 3.27Å; E548-W552 PolarHBondContact O-N 3.26Å; E548-W552 PolarHBondContact OE1-NE1 2.69Å; E548-W552 VanDerWaalsContact OE1-NE1 3.12Å; H549-W552 PolarHBondContact O-N 3.41Å; Q550-W552 VanDerWaalsContact C-N 3.31Å; Q550-W552 PolarHBondContact O-N 3.22Å; W552-F555 HydrophobicContact CE3-CD1 4.09Å; W552-F555 AromaticContact CZ3-CD1 3.98Å; W552-F555 HydrophobicContact CZ3-CD1 3.98Å; W552-F555 HydrophobicContact CZ3-CE1 4.17Å; W552-S556 WeakPolarHBondContact O-CB 3.33Å; W552-S556 PolarHBondContact O-N 3.37Å; W552-W802 AromaticContact CH2-NE1 3.75Å; W552-T803 HydrophobicContact CE3-CG2 4.26Å; W552-T803 HydrophobicContact CZ3-CG2 4.01Å; W552-W806 HydrophobicContact CD2-CB 3.51Å; W552-W806 HydrophobicContact CD2-CG 4.11Å; W552-W806 AromaticContact CE2-CG 3.81Å; W552-W806 HydrophobicContact CE3-CB 3.81Å; W552-W806 HydrophobicContact CE3-CG 4.34Å; W552-W806 HydrophobicContact CG-CB 3.88Å; W552-W806 HydrophobicContact CH2-CB 4.4Å; W552-W806 AromaticContact CH2-CD1 3.59Å; W552-W806 HydrophobicContact CH2-CG 4.05Å; W552-W806 HydrophobicContact CZ2-CB 4.13Å; W552-W806 AromaticContact CZ2-CD1 3.72Å; W552-W806 HydrophobicContact CZ2-CD2 4.32Å; W552-W806 AromaticContact CZ2-CG 3.78Å; W552-W806 HydrophobicContact CZ2-CG 3.78Å; W552-W806 HydrophobicContact CZ3-CB 4.25Å; W552-W806 AromaticContact CZ3-CD1 3.94Å; W552-W806 HydrophobicContact CZ3-CG 4.32Å; W552-V807 HydrophobicContact CB-CG2 4Å; W552-V807 WeakPolarHBondContact O-CG2 3.44Å; W552-F810 HydrophobicContact CB-CD2 4.44Å; W552-F810 AromaticContact CD1-CD2 3.88Å; W552-F810 AromaticContact CD1-CE2 3.25Å; W552-F810 HydrophobicContact CG-CD2 4.39Å; W552-F810 HydrophobicContact CG-CE2 4.11Å; W552-F810 AromaticContact NE1-CE2 3.76Å
553Y93.6Very high91Very high17 Ų1736.5 Ų36.57%0.06718%0.182CC..Hα-helixtrans-63.9-44176.8-65.3-27.6000112.7H549 Q550 S557 R596 V807 F810 Q811H549-Y553 HydrophobicContact CB-CE2 4.18Å; H549-Y553 AromaticContact CD2-CE2 3.81Å; H549-Y553 VanDerWaalsContact O-CD2 3.26Å; H549-Y553 WeakPolarHBondContact O-CD2 3.45Å; H549-Y553 VanDerWaalsContact O-CG 3.23Å; H549-Y553 PolarHBondContact O-N 3.29Å; Q550-Y553 PolarHBondContact O-N 3.5Å; Y553-S557 PolarHBondContact O-N 2.91Å; Y553-S557 PolarHBondContact O-OG 3.29Å; Y553-R596 HydrophobicContact CD2-CG 4.17Å; Y553-R596 HydrophobicContact CE2-CG 3.87Å; Y553-V807 HydrophobicContact CD1-CG1 4.03Å; Y553-V807 HydrophobicContact CD1-CG2 4.1Å; Y553-V807 HydrophobicContact CE1-CG1 4.04Å; Y553-F810 HydrophobicContact CE1-CB 4.24Å; Y553-F810 WeakPolarHBondContact OH-CB 3.44Å; Y553-Q811 HydrophobicContact CE1-CG 4.06Å
554Y93.2Very high90.7Very high137 Ų13733.6 Ų33.654%0.53716%0.161SC..Hα-helixtrans-72.5-39.9177.3-71.4-63.9000112.2Q550 L551 S557 S558Q550-Y554 HydrophobicContact CB-CD2 4.35Å; Q550-Y554 HydrophobicContact CB-CE2 4.3Å; Q550-Y554 WeakPolarHBondContact O-CD2 3.23Å; Q550-Y554 PolarHBondContact O-N 3.23Å; L551-Y554 PolarHBondContact O-N 2.87Å; Y554-S557 PolarHBondContact O-OG 3.23Å; Y554-S557 VanDerWaalsContact O-OG 3.09Å; Y554-S558 VanDerWaalsContact O-CB 3.26Å; Y554-S558 WeakPolarHBondContact O-CB 3.42Å; Y554-S558 PolarHBondContact O-N 2.82Å; Y554-S558 PolarHBondContact O-OG 3.48Å
555F94.1Very high90.4Very high10 Ų1030.4 Ų30.44%0.04415%0.154CC..Hα-helixtrans-64.9-48.1179.5-178.9-159.8000111.5F527 G528 C531 L532 L551 W552 S557 S558 L559 T803F527-F555 HydrophobicContact CD1-CE2 4.42Å; F527-F555 HydrophobicContact CE1-CD2 4.05Å; F527-F555 AromaticContact CE1-CE2 3.98Å; F527-F555 HydrophobicContact CE1-CE2 3.98Å; F527-F555 HydrophobicContact CZ-CD2 4.48Å; G528-F555 WeakPolarHBondContact O-CZ 3.42Å; C531-F555 HydrophobicContact CB-CD1 4.11Å; C531-F555 HydrophobicContact CB-CD2 3.8Å; C531-F555 HydrophobicContact CB-CE1 3.77Å; C531-F555 HydrophobicContact CB-CE2 3.47Å; C531-F555 VanDerWaalsContact CB-CE2 3.47Å; C531-F555 HydrophobicContact CB-CG 4.14Å; C531-F555 HydrophobicContact CB-CZ 3.46Å; C531-F555 VanDerWaalsContact CB-CZ 3.46Å; L532-F555 HydrophobicContact CD2-CE1 3.93Å; L532-F555 HydrophobicContact CG-CE1 4.19Å; L532-F555 HydrophobicContact CG-CZ 4.46Å; L551-F555 WeakPolarHBondContact O-CB 3.38Å; L551-F555 PolarHBondContact O-N 3.44Å; W552-F555 HydrophobicContact CE3-CD1 4.09Å; W552-F555 AromaticContact CZ3-CD1 3.98Å; W552-F555 HydrophobicContact CZ3-CD1 3.98Å; W552-F555 HydrophobicContact CZ3-CE1 4.17Å; F555-S557 PolarHBondContact O-N 3.46Å; F555-S558 PolarHBondContact O-N 2.87Å; F555-L559 HydrophobicContact CD2-CB 4.48Å; F555-L559 HydrophobicContact CE2-CB 4.38Å; F555-L559 HydrophobicContact CE2-CD2 4.33Å; F555-L559 VanDerWaalsContact O-CB 3.3Å; F555-L559 WeakPolarHBondContact O-CB 2.98Å; F555-L559 PolarHBondContact O-N 2.61Å; F555-T803 HydrophobicContact CD1-CG2 3.55Å; F555-T803 HydrophobicContact CD2-CG2 4.47Å; F555-T803 HydrophobicContact CE1-CG2 3.36Å; F555-T803 HydrophobicContact CE2-CG2 4.29Å; F555-T803 HydrophobicContact CG-CG2 4.11Å; F555-T803 HydrophobicContact CZ-CG2 3.74Å
556S93.7Very high90Very high2 Ų230.5 Ų30.51%0.01415%0.154CC..Hα-helixtrans-57.1-51.5177.3165.20000112.7W552 S558 L559 I560 Q804W552-S556 WeakPolarHBondContact O-CB 3.33Å; W552-S556 PolarHBondContact O-N 3.37Å; S556-S558 PolarHBondContact O-N 3.27Å; S556-L559 PolarHBondContact O-N 3.13Å; S556-I560 WeakPolarHBondContact O-CG1 3.24Å; S556-I560 PolarHBondContact O-N 3.1Å; S556-Q804 PolarHBondContact OG-NE2 3.28Å; S556-Q804 PolarHBondContact OG-OE1 2.91Å
557S92.3Very high89.7Confident41 Ų4128.1 Ų28.129%0.28714%0.143SC..Hα-helixtrans-63.9-40.7-179.351.70000112.3Y553 Y554 F555 L561Y553-S557 PolarHBondContact O-N 2.91Å; Y553-S557 PolarHBondContact O-OG 3.29Å; Y554-S557 PolarHBondContact O-OG 3.23Å; Y554-S557 VanDerWaalsContact O-OG 3.09Å; F555-S557 PolarHBondContact O-N 3.46Å; S557-L561 WeakPolarHBondContact O-CB 3.05Å; S557-L561 PolarHBondContact O-N 3.08Å
558S92.7Very high89.2Confident52 Ų5229.3 Ų29.336%0.36415%0.15SC..Hα-helixtrans-64.3-42.3175.5-57.20000111.9Y554 F555 S556 L561 L562Y554-S558 VanDerWaalsContact O-CB 3.26Å; Y554-S558 WeakPolarHBondContact O-CB 3.42Å; Y554-S558 PolarHBondContact O-N 2.82Å; Y554-S558 PolarHBondContact O-OG 3.48Å; F555-S558 PolarHBondContact O-N 2.87Å; S556-S558 PolarHBondContact O-N 3.27Å; S558-L561 PolarHBondContact O-N 2.73Å; S558-L562 VanDerWaalsContact O-CB 3.31Å; S558-L562 WeakPolarHBondContact O-CB 3.47Å; S558-L562 PolarHBondContact O-N 2.92Å
559L91.8Very high88.8Confident0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-68.1-40.8-179.6-172.964.1000112.1I524 F527 F555 S556 T563 L799 I800 T803I524-L559 HydrophobicContact CG2-CD1 3.79Å; F527-L559 HydrophobicContact CD1-CD1 4.22Å; F555-L559 HydrophobicContact CD2-CB 4.48Å; F555-L559 HydrophobicContact CE2-CB 4.38Å; F555-L559 HydrophobicContact CE2-CD2 4.33Å; F555-L559 VanDerWaalsContact O-CB 3.3Å; F555-L559 WeakPolarHBondContact O-CB 2.98Å; F555-L559 PolarHBondContact O-N 2.61Å; S556-L559 PolarHBondContact O-N 3.13Å; L559-T563 VanDerWaalsContact O-CB 3.31Å; L559-T563 WeakPolarHBondContact O-CB 3.45Å; L559-T563 PolarHBondContact O-N 2.84Å; L559-T563 PolarHBondContact O-OG1 3.3Å; L559-L799 HydrophobicContact CD2-CB 3.99Å; L559-I800 HydrophobicContact CD2-CG1 3.86Å; L559-I800 HydrophobicContact CG-CG1 4.03Å; L559-T803 HydrophobicContact CD2-CG2 4.14Å
560I90.5Very high88.3Confident0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-61.8-47.8173.3-69.8167.5000109.8S556 L562 T563 S564 I584 I587 I769S556-I560 WeakPolarHBondContact O-CG1 3.24Å; S556-I560 PolarHBondContact O-N 3.1Å; I560-L562 PolarHBondContact O-N 3.14Å; I560-T563 PolarHBondContact O-N 3.47Å; I560-S564 WeakPolarHBondContact O-CB 3.32Å; I560-S564 PolarHBondContact O-N 2.96Å; I560-S564 PolarHBondContact O-OG 3.12Å; I560-I584 HydrophobicContact CG2-CG2 4.42Å; I560-I587 HydrophobicContact CD1-CG2 4.03Å; I560-I769 HydrophobicContact CD1-CD1 4.46Å
561L89Confident87.8Confident94 Ų9439.5 Ų39.549%0.49221%0.207SC..Hα-helixtrans-62-43.9179.7-17764.9000112S557 S558 S564 L565S557-L561 WeakPolarHBondContact O-CB 3.05Å; S557-L561 PolarHBondContact O-N 3.08Å; S558-L561 PolarHBondContact O-N 2.73Å; L561-S564 VanDerWaalsContact O-CB 3.27Å; L561-S564 WeakPolarHBondContact O-CB 3.34Å; L561-S564 PolarHBondContact O-N 2.93Å; L561-L565 WeakPolarHBondContact O-CG 3.48Å; L561-L565 PolarHBondContact O-N 3.32Å
562L88.5Confident87.3Confident40 Ų4038.7 Ų38.721%0.20920%0.203CC..Hα-helixtrans-66.2-42.3178.9-167.267.3000111.6I524 F527 S558 I560 S564 L565 L566I524-L562 HydrophobicContact CB-CD2 4.21Å; I524-L562 HydrophobicContact CD1-CG 4.13Å; I524-L562 HydrophobicContact CG1-CB 4.19Å; I524-L562 HydrophobicContact CG1-CD2 3.41Å; I524-L562 VanDerWaalsContact CG1-CD2 3.41Å; I524-L562 HydrophobicContact CG1-CG 3.41Å; I524-L562 VanDerWaalsContact CG1-CG 3.41Å; F527-L562 HydrophobicContact CB-CD2 4.12Å; F527-L562 HydrophobicContact CD1-CD2 3.97Å; F527-L562 HydrophobicContact CG-CD2 4.08Å; S558-L562 VanDerWaalsContact O-CB 3.31Å; S558-L562 WeakPolarHBondContact O-CB 3.47Å; S558-L562 PolarHBondContact O-N 2.92Å; I560-L562 PolarHBondContact O-N 3.14Å; L562-S564 PolarHBondContact O-N 3.35Å; L562-L565 HydrophobicContact CD1-CD1 4.38Å; L562-L565 WeakPolarHBondContact O-CB 3.43Å; L562-L565 PolarHBondContact O-N 3.3Å; L562-L566 PolarHBondContact O-N 2.94Å
563T85.5Confident86.8Confident6 Ų641.3 Ų41.34%0.03722%0.222CC..Hα-helixtrans-61.9-32173.7-55.70000111.9L559 I560 L566 M772 I776 I800L559-T563 VanDerWaalsContact O-CB 3.31Å; L559-T563 WeakPolarHBondContact O-CB 3.45Å; L559-T563 PolarHBondContact O-N 2.84Å; L559-T563 PolarHBondContact O-OG1 3.3Å; I560-T563 PolarHBondContact O-N 3.47Å; T563-L566 HydrophobicContact CG2-CD1 4.39Å; T563-L566 VanDerWaalsContact O-CB 3.3Å; T563-L566 WeakPolarHBondContact O-CB 3.47Å; T563-L566 PolarHBondContact O-N 2.72Å; T563-M772 HydrophobicContact CG2-CE 4.47Å; T563-I776 HydrophobicContact CG2-CD1 3.55Å; T563-I800 HydrophobicContact CG2-CD1 3.87Å
564S81.9Confident86.4Confident1 Ų144.6 Ų44.61%0.00725%0.248CC..Hα-helixtrans-72.9-38.3177.5-58.90000112.7I560 L561 L562 L566 I567 L568 I584I560-S564 WeakPolarHBondContact O-CB 3.32Å; I560-S564 PolarHBondContact O-N 2.96Å; I560-S564 PolarHBondContact O-OG 3.12Å; L561-S564 VanDerWaalsContact O-CB 3.27Å; L561-S564 WeakPolarHBondContact O-CB 3.34Å; L561-S564 PolarHBondContact O-N 2.93Å; L562-S564 PolarHBondContact O-N 3.35Å; S564-L566 PolarHBondContact O-N 2.99Å; S564-I567 PolarHBondContact O-N 3.45Å; S564-L568 PolarHBondContact O-N 3.39Å; S564-L568 VanDerWaalsContact O-N 3.14Å; S564-I584 WeakPolarHBondContact OG-CD1 3.33Å; S564-I584 WeakPolarHBondContact OG-CG1 3.17Å
565L82.7Confident86.1Confident69 Ų6941.6 Ų41.636%0.36125%0.247SC..Hα-helixtrans-59-31.5175.1-75.1167.4000111.8L561 L562 I567 L568 L569L561-L565 WeakPolarHBondContact O-CG 3.48Å; L561-L565 PolarHBondContact O-N 3.32Å; L562-L565 HydrophobicContact CD1-CD1 4.38Å; L562-L565 WeakPolarHBondContact O-CB 3.43Å; L562-L565 PolarHBondContact O-N 3.3Å; L565-I567 PolarHBondContact O-N 3.27Å; L565-L568 HydrophobicContact CD2-CD1 4.48Å; L565-L568 PolarHBondContact O-N 3.41Å; L565-L569 VanDerWaalsContact O-CB 3.32Å; L565-L569 WeakPolarHBondContact O-CB 3.3Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.3Å; L565-L569 PolarHBondContact O-N 3.37Å
566L80.1Confident85.6Confident5 Ų541.4 Ų41.43%0.02625%0.246CC..Hα-helixtrans-50.6-46.8171-76.3167.4000112.5F516 L520 V521 I524 L562 T563 S564 G570F516-L566 WeakPolarHBondContact CD1-O 3.49Å; L520-L566 HydrophobicContact CB-CD2 3.59Å; L520-L566 HydrophobicContact CD2-CD2 3.66Å; L520-L566 HydrophobicContact CD2-CG 4.3Å; L520-L566 HydrophobicContact CG-CD2 3.35Å; L520-L566 HydrophobicContact CG-CG 4.16Å; V521-L566 HydrophobicContact CB-CD2 4.4Å; V521-L566 HydrophobicContact CG2-CD1 4.23Å; V521-L566 HydrophobicContact CG2-CD2 3.63Å; I524-L566 HydrophobicContact CD1-CD1 3.13Å; I524-L566 HydrophobicContact CD1-CD2 3.83Å; I524-L566 HydrophobicContact CD1-CG 3.24Å; L562-L566 PolarHBondContact O-N 2.94Å; T563-L566 HydrophobicContact CG2-CD1 4.39Å; T563-L566 VanDerWaalsContact O-CB 3.3Å; T563-L566 WeakPolarHBondContact O-CB 3.47Å; T563-L566 PolarHBondContact O-N 2.72Å; S564-L566 PolarHBondContact O-N 2.99Å; L566-G570 WeakPolarHBondContact O-CA 3.36Å; L566-G570 PolarHBondContact O-N 2.93Å
567I79.2Confident85.3Confident1 Ų144.1 Ų44.11%0.00526%0.258CS..Hα-helixtrans-83.3-34-171.3-48.2161.8000110.9F516 S564 L565 L569 G570 V572 V576 I580 I776F516-I567 HydrophobicContact CE1-CB 4.15Å; F516-I567 HydrophobicContact CE1-CG1 4.13Å; F516-I567 HydrophobicContact CE1-CG2 3.99Å; F516-I567 HydrophobicContact CZ-CB 4.49Å; F516-I567 HydrophobicContact CZ-CG1 4.14Å; F516-I567 HydrophobicContact CZ-CG2 4.15Å; S564-I567 PolarHBondContact O-N 3.45Å; L565-I567 PolarHBondContact O-N 3.27Å; I567-L569 VanDerWaalsContact C-N 3.35Å; I567-G570 PolarHBondContact O-N 3.44Å; I567-V572 HydrophobicContact CG2-CG1 4.45Å; I567-V572 HydrophobicContact CG2-CG2 3.71Å; I567-V572 WeakPolarHBondContact O-CG2 3.31Å; I567-V576 HydrophobicContact CG2-CG1 4.32Å; I567-I580 HydrophobicContact CB-CD1 3.92Å; I567-I580 HydrophobicContact CD1-CD1 3.27Å; I567-I580 HydrophobicContact CD1-CG1 3.88Å; I567-I580 HydrophobicContact CD1-CG2 3.99Å; I567-I580 HydrophobicContact CG1-CD1 4.11Å; I567-I580 HydrophobicContact CG2-CD1 3.33Å; I567-I776 HydrophobicContact CD1-CD1 3.71Å; I567-I776 HydrophobicContact CD1-CG1 3.18Å; I567-I776 HydrophobicContact CG1-CD1 4.38Å; I567-I776 HydrophobicContact CG1-CG1 3.75Å
568L81.2Confident85.2Confident60 Ų6050 Ų5031%0.31427%0.273SS..Hα-helixtrans-64.1-41.1174.4-66.8174.9000111.7S564 L565 K577S564-L568 PolarHBondContact O-N 3.39Å; S564-L568 VanDerWaalsContact O-N 3.14Å; L565-L568 HydrophobicContact CD2-CD1 4.48Å; L565-L568 PolarHBondContact O-N 3.41Å; L568-K577 HydrophobicContact CD2-CB 4.16Å; L568-K577 WeakPolarHBondContact O-CE 3.4Å; L568-K577 PolarHBondContact O-NZ 3.4Å
569L84.3Confident85Confident130 Ų13049.9 Ų49.968%0.68127%0.268SS*.Hα-helixtrans-80.6-19.5175.8-62.8176.6000113L520 L565 I567L520-L569 HydrophobicContact CD2-CB 4.33Å; L520-L569 HydrophobicContact CD2-CD1 3.9Å; L565-L569 VanDerWaalsContact O-CB 3.32Å; L565-L569 WeakPolarHBondContact O-CB 3.3Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.3Å; L565-L569 PolarHBondContact O-N 3.37Å; I567-L569 VanDerWaalsContact C-N 3.35Å
570G80.3Confident84.8Confident6 Ų649.9 Ų49.96%0.06227%0.268CS..SBendtrans-65.3155.8177.900000114.3S515 L566 I567 V572 K577S515-G570 CarbonylContact O-C 3.37Å; S515-G570 WeakPolarHBondContact O-CA 3.47Å; L566-G570 WeakPolarHBondContact O-CA 3.36Å; L566-G570 PolarHBondContact O-N 2.93Å; I567-G570 PolarHBondContact O-N 3.44Å; G570-V572 PolarHBondContact O-N 3.19Å; G570-K577 WeakPolarHBondContact O-CE 3.4Å; G570-K577 PolarHBondContact O-NZ 3.01Å
571N82.7Confident84.8Confident126 Ų12653 Ų5367%0.67429%0.285SS*.SBendtrans-81.467171-165.117.9000110.4S515S515-N571 WeakPolarHBondContact CB-O 3.28Å; S515-N571 PolarHBondContact O-N 3.05Å; S515-N571 PolarHBondContact OG-O 2.98Å; S515-N571 VanDerWaalsContact OG-O 3.1Å
572V81.6Confident84.9Confident14 Ų1455 Ų559%0.08529%0.289CS..  trans-116.5159.3173.4-61.60000110.5F516 I567 G570 V576 K577 Y779F516-V572 HydrophobicContact CE1-CG1 3.7Å; F516-V572 HydrophobicContact CZ-CG1 3.75Å; I567-V572 HydrophobicContact CG2-CG1 4.45Å; I567-V572 HydrophobicContact CG2-CG2 3.71Å; I567-V572 WeakPolarHBondContact O-CG2 3.31Å; G570-V572 PolarHBondContact O-N 3.19Å; V572-V576 HydrophobicContact CB-CG1 4.4Å; V572-V576 HydrophobicContact CG2-CB 4.42Å; V572-V576 HydrophobicContact CG2-CG1 4.24Å; V572-K577 HydrophobicContact CG2-CD 4.29Å; V572-K577 HydrophobicContact CG2-CG 3.63Å; V572-K577 WeakPolarHBondContact O-CE 3.2Å; V572-Y779 HydrophobicContact CB-CD1 4.45Å; V572-Y779 HydrophobicContact CG1-CD1 3.84Å; V572-Y779 HydrophobicContact CG1-CG 3.83Å
573S84.3Confident85.1Confident56 Ų5653.4 Ų53.439%0.39228%0.281SS..  trans-60.3147.9177.963.90000112.6S575 V576 K577S573-S575 PolarHBondContact O-N 3.26Å; S573-S575 PolarHBondContact OG-OG 3.14Å; S573-V576 WeakPolarHBondContact O-CB 3.26Å; S573-V576 PolarHBondContact O-N 2.83Å; S573-V576 VanDerWaalsContact O-N 3.09Å; S573-V576 VanDerWaalsContact OG-CG2 3.22Å; S573-V576 WeakPolarHBondContact OG-CG2 3.22Å; S573-K577 PolarHBondContact O-N 3.36Å
574S85.8Confident85.3Confident87 Ų8753.5 Ų53.561%0.60828%0.281SS*.Hα-helixtrans-57.7-34.3-179.1-56.60000113V576 K577 W578S574-V576 VanDerWaalsContact C-N 3.31Å; S574-V576 PolarHBondContact O-N 3.4Å; S574-K577 PolarHBondContact O-N 2.81Å; S574-W578 PolarHBondContact O-N 3.32Å
575S86Confident85.8Confident74 Ų7456.8 Ų56.852%0.51730%0.301SS..Hα-helixtrans-60.7-39.7177.757.20000112.3S573 W578 I579S573-S575 PolarHBondContact O-N 3.26Å; S573-S575 PolarHBondContact OG-OG 3.14Å; S575-W578 PolarHBondContact O-N 2.91Å; S575-I579 VanDerWaalsContact O-CG1 3.29Å; S575-I579 WeakPolarHBondContact O-CG1 3.25Å; S575-I579 PolarHBondContact O-N 3.34Å
576V83.6Confident86.4Confident5 Ų559.3 Ų59.33%0.0331%0.309CS..Hα-helixtrans-67.4-45.7177.8174.40000110.5I567 V572 S573 S574 W578 I579 I580 Y779I567-V576 HydrophobicContact CG2-CG1 4.32Å; V572-V576 HydrophobicContact CB-CG1 4.4Å; V572-V576 HydrophobicContact CG2-CB 4.42Å; V572-V576 HydrophobicContact CG2-CG1 4.24Å; S573-V576 WeakPolarHBondContact O-CB 3.26Å; S573-V576 PolarHBondContact O-N 2.83Å; S573-V576 VanDerWaalsContact O-N 3.09Å; S573-V576 VanDerWaalsContact OG-CG2 3.22Å; S573-V576 WeakPolarHBondContact OG-CG2 3.22Å; S574-V576 VanDerWaalsContact C-N 3.31Å; S574-V576 PolarHBondContact O-N 3.4Å; V576-W578 VanDerWaalsContact C-N 3.26Å; V576-W578 PolarHBondContact O-N 3.36Å; V576-I579 PolarHBondContact O-N 3.01Å; V576-I579 VanDerWaalsContact O-N 3.14Å; V576-I580 HydrophobicContact CG1-CD1 3.68Å; V576-I580 WeakPolarHBondContact O-CD1 3.19Å; V576-I580 PolarHBondContact O-N 2.9Å; V576-Y779 HydrophobicContact CB-CE2 4.23Å; V576-Y779 HydrophobicContact CG1-CD2 3.98Å; V576-Y779 HydrophobicContact CG1-CE2 3.66Å; V576-Y779 HydrophobicContact CG2-CE1 4.35Å; V576-Y779 HydrophobicContact CG2-CE2 3.52Å; V576-Y779 VanDerWaalsContact CG2-CZ 3.41Å; V576-Y779 WeakPolarHBondContact CG2-OH 3.34Å
577K87.7Confident87.1Confident59 Ų5959 Ų5926%0.25731%0.308SS..Hα-helixtrans-54.7-44.5175-60.7-169.4-179.4-167.40111.1L568 G570 V572 S573 S574 L581L568-K577 HydrophobicContact CD2-CB 4.16Å; L568-K577 WeakPolarHBondContact O-CE 3.4Å; L568-K577 PolarHBondContact O-NZ 3.4Å; G570-K577 WeakPolarHBondContact O-CE 3.4Å; G570-K577 PolarHBondContact O-NZ 3.01Å; V572-K577 HydrophobicContact CG2-CD 4.29Å; V572-K577 HydrophobicContact CG2-CG 3.63Å; V572-K577 WeakPolarHBondContact O-CE 3.2Å; S573-K577 PolarHBondContact O-N 3.36Å; S574-K577 PolarHBondContact O-N 2.81Å; K577-L581 WeakPolarHBondContact O-CB 3.28Å; K577-L581 PolarHBondContact O-N 2.8Å
578W89.6Confident87.7Confident164 Ų16462 Ų6262%0.62132%0.323SS*.Hα-helixtrans-66-39.9176.8-80.6114.2000114S574 S575 V576 L581 K582S574-W578 PolarHBondContact O-N 3.32Å; S575-W578 PolarHBondContact O-N 2.91Å; V576-W578 VanDerWaalsContact C-N 3.26Å; V576-W578 PolarHBondContact O-N 3.36Å; W578-L581 HydrophobicContact CE3-CD2 4.04Å; W578-L581 HydrophobicContact CZ3-CD2 3.92Å; W578-L581 PolarHBondContact O-N 3.41Å; W578-K582 WeakPolarHBondContact O-CG 3.17Å; W578-K582 PolarHBondContact O-N 2.93Å
579I88.3Confident88.3Confident50 Ų5063.3 Ų63.326%0.25633%0.33SS..Hα-helixtrans-61.1-49.2176.8-71.8163.8000110.1S575 V576 K582 I583 L775S575-I579 VanDerWaalsContact O-CG1 3.29Å; S575-I579 WeakPolarHBondContact O-CG1 3.25Å; S575-I579 PolarHBondContact O-N 3.34Å; V576-I579 PolarHBondContact O-N 3.01Å; V576-I579 VanDerWaalsContact O-N 3.14Å; I579-K582 WeakPolarHBondContact O-CB 3.38Å; I579-K582 PolarHBondContact O-N 3.19Å; I579-I583 HydrophobicContact CG2-CD1 3.86Å; I579-I583 WeakPolarHBondContact O-CG1 3.39Å; I579-I583 PolarHBondContact O-N 2.9Å; I579-L775 HydrophobicContact CG2-CD1 3.95Å
580I87.5Confident88.7Confident0 Ų058.7 Ų58.70%031%0.306CS..Hα-helixtrans-62.8-45.3179-78.5148.6000111.3I567 V576 K582 I583 I584 L775I567-I580 HydrophobicContact CB-CD1 3.92Å; I567-I580 HydrophobicContact CD1-CD1 3.27Å; I567-I580 HydrophobicContact CD1-CG1 3.88Å; I567-I580 HydrophobicContact CD1-CG2 3.99Å; I567-I580 HydrophobicContact CG1-CD1 4.11Å; I567-I580 HydrophobicContact CG2-CD1 3.33Å; V576-I580 HydrophobicContact CG1-CD1 3.68Å; V576-I580 WeakPolarHBondContact O-CD1 3.19Å; V576-I580 PolarHBondContact O-N 2.9Å; I580-K582 VanDerWaalsContact C-N 3.27Å; I580-K582 PolarHBondContact O-N 3.36Å; I580-I583 WeakPolarHBondContact O-CB 3.38Å; I580-I583 PolarHBondContact O-N 3.18Å; I580-I584 HydrophobicContact CG2-CD1 3.46Å; I580-I584 VanDerWaalsContact CG2-CD1 3.46Å; I580-I584 HydrophobicContact CG2-CG1 4.29Å; I580-I584 VanDerWaalsContact O-CD1 3.24Å; I580-I584 WeakPolarHBondContact O-CD1 3.4Å; I580-I584 VanDerWaalsContact O-CG1 3.24Å; I580-I584 WeakPolarHBondContact O-CG1 3.29Å; I580-I584 PolarHBondContact O-N 3.31Å; I580-L775 HydrophobicContact CD1-CD1 4.42Å; I580-L775 HydrophobicContact CG1-CD1 4.12Å
581L90.5Very high89.3Confident65 Ų6559.5 Ų59.534%0.3431%0.309SS..Hα-helixtrans-56-43.9176.2-17462.3000111.5K577 W578 I583 I584 V585K577-L581 WeakPolarHBondContact O-CB 3.28Å; K577-L581 PolarHBondContact O-N 2.8Å; W578-L581 HydrophobicContact CE3-CD2 4.04Å; W578-L581 HydrophobicContact CZ3-CD2 3.92Å; W578-L581 PolarHBondContact O-N 3.41Å; L581-I583 PolarHBondContact O-N 3.47Å; L581-I584 PolarHBondContact O-N 2.98Å; L581-V585 HydrophobicContact CD1-CG2 4.47Å; L581-V585 WeakPolarHBondContact O-CB 3.18Å; L581-V585 VanDerWaalsContact O-CG2 3.26Å; L581-V585 WeakPolarHBondContact O-CG2 2.67Å; L581-V585 PolarHBondContact O-N 3.34Å
582K91.8Very high89.6Confident137 Ų13759.7 Ų59.760%0.59630%0.3SS*.Hα-helixtrans-62.3-41.1174.9-74.2176.9180-178.70112.5W578 I579 I580 K586W578-K582 WeakPolarHBondContact O-CG 3.17Å; W578-K582 PolarHBondContact O-N 2.93Å; I579-K582 WeakPolarHBondContact O-CB 3.38Å; I579-K582 PolarHBondContact O-N 3.19Å; I580-K582 VanDerWaalsContact C-N 3.27Å; I580-K582 PolarHBondContact O-N 3.36Å; K582-K586 VanDerWaalsContact O-CG 3.25Å; K582-K586 WeakPolarHBondContact O-CG 3.06Å; K582-K586 PolarHBondContact O-N 2.94Å; K582-K586 VanDerWaalsContact O-N 3.1Å
583I91.9Very high90.1Very high6 Ų665.9 Ų65.93%0.03133%0.326CS..Hα-helixtrans-62.4-47.9177.8-71.6166.4000110.5I579 I580 L581 K586 I587 L768 E771 M772 L775I579-I583 HydrophobicContact CG2-CD1 3.86Å; I579-I583 WeakPolarHBondContact O-CG1 3.39Å; I579-I583 PolarHBondContact O-N 2.9Å; I580-I583 WeakPolarHBondContact O-CB 3.38Å; I580-I583 PolarHBondContact O-N 3.18Å; L581-I583 PolarHBondContact O-N 3.47Å; I583-K586 WeakPolarHBondContact O-CB 3.31Å; I583-K586 PolarHBondContact O-N 3.48Å; I583-I587 HydrophobicContact CG2-CD1 3.64Å; I583-I587 HydrophobicContact CG2-CG1 4.44Å; I583-I587 WeakPolarHBondContact O-CG1 3.45Å; I583-I587 PolarHBondContact O-N 2.73Å; I583-L768 HydrophobicContact CG1-CD2 4.37Å; I583-L768 HydrophobicContact CG2-CB 4.1Å; I583-L768 WeakPolarHBondContact CG2-O 3.36Å; I583-E771 HydrophobicContact CD1-CB 4.32Å; I583-E771 HydrophobicContact CD1-CG 3.74Å; I583-M772 HydrophobicContact CG2-CB 4.18Å; I583-L775 HydrophobicContact CD1-CD1 4.46Å
584I91.3Very high90.5Very high8 Ų865 Ų654%0.04132%0.317CS..Hα-helixtrans-63.4-47.7-178.4-62.9151000111I560 S564 I580 L581 K586 I587 L588 M772I560-I584 HydrophobicContact CG2-CG2 4.42Å; S564-I584 WeakPolarHBondContact OG-CD1 3.33Å; S564-I584 WeakPolarHBondContact OG-CG1 3.17Å; I580-I584 HydrophobicContact CG2-CD1 3.46Å; I580-I584 VanDerWaalsContact CG2-CD1 3.46Å; I580-I584 HydrophobicContact CG2-CG1 4.29Å; I580-I584 VanDerWaalsContact O-CD1 3.24Å; I580-I584 WeakPolarHBondContact O-CD1 3.4Å; I580-I584 VanDerWaalsContact O-CG1 3.24Å; I580-I584 WeakPolarHBondContact O-CG1 3.29Å; I580-I584 PolarHBondContact O-N 3.31Å; L581-I584 PolarHBondContact O-N 2.98Å; I584-K586 VanDerWaalsContact C-N 3.26Å; I584-K586 PolarHBondContact O-N 2.83Å; I584-I587 PolarHBondContact O-N 2.99Å; I584-I587 VanDerWaalsContact O-N 3.13Å; I584-L588 HydrophobicContact CG2-CD1 3.7Å; I584-L588 HydrophobicContact CG2-CG 4.08Å; I584-L588 WeakPolarHBondContact O-CB 3.28Å; I584-L588 WeakPolarHBondContact O-CG 3.38Å; I584-L588 PolarHBondContact O-N 3.4Å; I584-M772 HydrophobicContact CG1-SD 4.36Å
585V92.2Very high90.9Very high70 Ų7060.8 Ų60.842%0.42429%0.288SS..Hα-helixtrans-57.5-43.8177.8170.70000109.9L581 I587 L588 L589L581-V585 HydrophobicContact CD1-CG2 4.47Å; L581-V585 WeakPolarHBondContact O-CB 3.18Å; L581-V585 VanDerWaalsContact O-CG2 3.26Å; L581-V585 WeakPolarHBondContact O-CG2 2.67Å; L581-V585 PolarHBondContact O-N 3.34Å; V585-I587 PolarHBondContact O-N 3.27Å; V585-L588 PolarHBondContact O-N 3.45Å; V585-L589 HydrophobicContact CG1-CD1 3.78Å; V585-L589 HydrophobicContact CG1-CG 4.2Å; V585-L589 VanDerWaalsContact O-CB 3.31Å; V585-L589 WeakPolarHBondContact O-CB 2.94Å; V585-L589 WeakPolarHBondContact O-CG 3.48Å; V585-L589 PolarHBondContact O-N 3.21Å
586K94.2Very high91.2Very high122 Ų12259.9 Ų59.953%0.5327%0.273SS..Hα-helixtrans-60.3-46.3175.1-73.4172.1-179-176.70112.7K582 I583 I584 L590 L768K582-K586 VanDerWaalsContact O-CG 3.25Å; K582-K586 WeakPolarHBondContact O-CG 3.06Å; K582-K586 PolarHBondContact O-N 2.94Å; K582-K586 VanDerWaalsContact O-N 3.1Å; I583-K586 WeakPolarHBondContact O-CB 3.31Å; I583-K586 PolarHBondContact O-N 3.48Å; I584-K586 VanDerWaalsContact C-N 3.26Å; I584-K586 PolarHBondContact O-N 2.83Å; K586-L590 VanDerWaalsContact O-CB 3.25Å; K586-L590 WeakPolarHBondContact O-CB 3.36Å; K586-L590 PolarHBondContact O-N 3.18Å; K586-L768 HydrophobicContact CB-CD1 4Å; K586-L768 HydrophobicContact CD-CD1 4.46Å; K586-L768 HydrophobicContact CD-CD2 4.4Å
587I94.3Very high91.5Very high0 Ų065 Ų650%029%0.292CS..Hα-helixtrans-62.6-48.8179.8-67.2162000110.6I560 I583 I584 V585 L589 L590 D591 K765 L768 I769I560-I587 HydrophobicContact CD1-CG2 4.03Å; I583-I587 HydrophobicContact CG2-CD1 3.64Å; I583-I587 HydrophobicContact CG2-CG1 4.44Å; I583-I587 WeakPolarHBondContact O-CG1 3.45Å; I583-I587 PolarHBondContact O-N 2.73Å; I584-I587 PolarHBondContact O-N 2.99Å; I584-I587 VanDerWaalsContact O-N 3.13Å; V585-I587 PolarHBondContact O-N 3.27Å; I587-L589 PolarHBondContact O-N 3.41Å; I587-L590 PolarHBondContact O-N 3.42Å; I587-D591 PolarHBondContact O-N 3.31Å; I587-K765 HydrophobicContact CG2-CG 4.34Å; I587-L768 HydrophobicContact CD1-CB 4.11Å; I587-L768 HydrophobicContact CG1-CB 4.03Å; I587-L768 HydrophobicContact CG1-CD1 4.17Å; I587-I769 HydrophobicContact CD1-CD1 4.48Å; I587-I769 HydrophobicContact CD1-CG1 3.58Å; I587-I769 HydrophobicContact CG1-CG1 4.4Å
588L91.8Very high91.7Very high62 Ų6262.3 Ų62.333%0.32528%0.28SS..Hα-helixtrans-64.7-39.9-179.2-67.6178.2000112I584 V585 R592I584-L588 HydrophobicContact CG2-CD1 3.7Å; I584-L588 HydrophobicContact CG2-CG 4.08Å; I584-L588 WeakPolarHBondContact O-CB 3.28Å; I584-L588 WeakPolarHBondContact O-CG 3.38Å; I584-L588 PolarHBondContact O-N 3.4Å; V585-L588 PolarHBondContact O-N 3.45Å; L588-R592 WeakPolarHBondContact O-CB 3.37Å; L588-R592 PolarHBondContact O-N 2.88Å
589L93.5Very high91.7Very high89 Ų8955.7 Ų55.747%0.46626%0.256SS..Hα-helixtrans-63.5-45.3174.6-72.2176.8000111.1V585 I587 R592 F593V585-L589 HydrophobicContact CG1-CD1 3.78Å; V585-L589 HydrophobicContact CG1-CG 4.2Å; V585-L589 VanDerWaalsContact O-CB 3.31Å; V585-L589 WeakPolarHBondContact O-CB 2.94Å; V585-L589 WeakPolarHBondContact O-CG 3.48Å; V585-L589 PolarHBondContact O-N 3.21Å; I587-L589 PolarHBondContact O-N 3.41Å; L589-R592 PolarHBondContact O-N 3.41Å; L589-F593 HydrophobicContact CB-CD2 4.43Å; L589-F593 HydrophobicContact CD2-CD2 3.7Å; L589-F593 HydrophobicContact CD2-CE2 3.47Å; L589-F593 VanDerWaalsContact CD2-CE2 3.47Å; L589-F593 WeakPolarHBondContact O-CB 3.25Å; L589-F593 WeakPolarHBondContact O-CD2 3.32Å; L589-F593 PolarHBondContact O-N 3.35Å
590L94.3Very high91.5Very high33 Ų3354.9 Ų54.917%0.17325%0.251CS..Iπ-helixtrans-62.1-44.3179.2-174.466.9000111.8K586 I587 L594 L595 K765K586-L590 VanDerWaalsContact O-CB 3.25Å; K586-L590 WeakPolarHBondContact O-CB 3.36Å; K586-L590 PolarHBondContact O-N 3.18Å; I587-L590 PolarHBondContact O-N 3.42Å; L590-L594 HydrophobicContact CD1-CB 4.36Å; L590-L594 HydrophobicContact CD1-CD2 3.78Å; L590-L594 WeakPolarHBondContact O-CB 3.37Å; L590-L594 PolarHBondContact O-N 2.68Å; L590-L595 HydrophobicContact CD2-CD1 4.08Å; L590-L595 HydrophobicContact CG-CD1 3.83Å; L590-L595 HydrophobicContact CG-CG 4.1Å; L590-L595 PolarHBondContact O-N 3.33Å; L590-K765 HydrophobicContact CD2-CB 3.85Å; L590-K765 HydrophobicContact CD2-CG 4.45Å
591D92.3Very high91.4Very high22 Ų2255.2 Ų55.212%0.11825%0.253CS..Iπ-helixtrans-66.5-46.4176.5-85.5-33.6000112.3I587 L595 R596 K765 Q811I587-D591 PolarHBondContact O-N 3.31Å; D591-L595 WeakPolarHBondContact OD1-CD1 3.29Å; D591-R596 WeakPolarHBondContact O-CB 3.36Å; D591-R596 PolarHBondContact O-N 3.49Å; D591-K765 IonicContact OD1-NZ 3.71Å; D591-K765 PolarHBondContact OD1-NZ 3.02Å; D591-K765 VanDerWaalsContact OD2-CE 3.29Å; D591-K765 WeakPolarHBondContact OD2-CE 3.48Å; D591-K765 IonicContact OD2-NZ 3.42Å; D591-K765 PolarHBondContact OD2-NZ 3.24Å; D591-Q811 PolarHBondContact OD1-NE2 2.81Å
592R89.8Confident90.7Very high131 Ų13152.1 Ų52.149%0.49424%0.237SC..Iπ-helixtrans-72.2-43.3-172.717959.3174.6-177.6-1.2113.2L588 L589L588-R592 WeakPolarHBondContact O-CB 3.37Å; L588-R592 PolarHBondContact O-N 2.88Å; L589-R592 PolarHBondContact O-N 3.41Å
593F91.2Very high89.6Confident144 Ų14448.2 Ų48.263%0.63222%0.222SC*.Iπ-helixtrans-100.9-21.7-169-68.2-74.7000113.8L589L589-F593 HydrophobicContact CB-CD2 4.43Å; L589-F593 HydrophobicContact CD2-CD2 3.7Å; L589-F593 HydrophobicContact CD2-CE2 3.47Å; L589-F593 VanDerWaalsContact CD2-CE2 3.47Å; L589-F593 WeakPolarHBondContact O-CB 3.25Å; L589-F593 WeakPolarHBondContact O-CD2 3.32Å; L589-F593 PolarHBondContact O-N 3.35Å
594L93.2Very high88.6Confident36 Ų3654.6 Ų54.619%0.18825%0.25CC..Iπ-helixtrans-116.6-74.1179.1-175.267000111.2L590 R596 R597 L598 W631 I757 S761L590-L594 HydrophobicContact CD1-CB 4.36Å; L590-L594 HydrophobicContact CD1-CD2 3.78Å; L590-L594 WeakPolarHBondContact O-CB 3.37Å; L590-L594 PolarHBondContact O-N 2.68Å; L594-R596 PolarHBondContact O-N 2.79Å; L594-R597 CarbonylContact O-C 3.6Å; L594-R597 WeakPolarHBondContact O-CA 3.5Å; L594-R597 PolarHBondContact O-N 3.35Å; L594-L598 HydrophobicContact CD1-CD2 4.14Å; L594-L598 HydrophobicContact CD1-CG 4.34Å; L594-L598 HydrophobicContact CG-CD1 4.44Å; L594-L598 HydrophobicContact CG-CG 4.49Å; L594-L598 WeakPolarHBondContact O-CG 3.07Å; L594-L598 PolarHBondContact O-N 2.87Å; L594-W631 HydrophobicContact CD2-CZ2 3.81Å; L594-I757 HydrophobicContact CD1-CG2 4.32Å; L594-I757 HydrophobicContact CD2-CG2 4.43Å; L594-S761 WeakPolarHBondContact CD2-OG 3.26Å
595L94.4Very high87.7Confident0 Ų059.1 Ų59.10%027%0.267CS..Iπ-helixtrans-60.9-42.2-163.4-63.1171.2000113.7L590 D591 R597 L758 I762 K765 Q811L590-L595 HydrophobicContact CD2-CD1 4.08Å; L590-L595 HydrophobicContact CG-CD1 3.83Å; L590-L595 HydrophobicContact CG-CG 4.1Å; L590-L595 PolarHBondContact O-N 3.33Å; D591-L595 WeakPolarHBondContact OD1-CD1 3.29Å; L595-R597 VanDerWaalsContact C-N 3.29Å; L595-R597 PolarHBondContact O-N 3.19Å; L595-L758 HydrophobicContact CD2-CD1 3.63Å; L595-I762 HydrophobicContact CD2-CG1 4.23Å; L595-K765 HydrophobicContact CD1-CD 3.86Å; L595-Q811 HydrophobicContact CB-CG 4.21Å; L595-Q811 VanDerWaalsContact CB-NE2 3.27Å
596R91.6Very high86.5Confident55 Ų5557.2 Ų57.221%0.20825%0.254CS..Hα-helixtrans-72.6-21.1177-176.4175174.71765113.2Y553 D591 L594Y553-R596 HydrophobicContact CD2-CG 4.17Å; Y553-R596 HydrophobicContact CE2-CG 3.87Å; D591-R596 WeakPolarHBondContact O-CB 3.36Å; D591-R596 PolarHBondContact O-N 3.49Å; L594-R596 PolarHBondContact O-N 2.79Å
597R91.1Very high85.1Confident113 Ų11358.4 Ų58.443%0.42626%0.261SS..Hα-helixtrans-96.1-14.3-177.8-68.8-64.7-168.41774112.9L594 L595 I611L594-R597 CarbonylContact O-C 3.6Å; L594-R597 WeakPolarHBondContact O-CA 3.5Å; L594-R597 PolarHBondContact O-N 3.35Å; L595-R597 VanDerWaalsContact C-N 3.29Å; L595-R597 PolarHBondContact O-N 3.19Å; R597-I611 HydrophobicContact CB-CD1 3.43Å; R597-I611 VanDerWaalsContact CB-CD1 3.43Å; R597-I611 HydrophobicContact CB-CG1 4.04Å; R597-I611 WeakPolarHBondContact O-CB 3.3Å; R597-I611 WeakPolarHBondContact O-CG1 3.06Å; R597-I611 PolarHBondContact O-N 2.81Å
598L91.2Very high84.2Confident1 Ų160 Ų601%0.00527%0.272CS..Hα-helixtrans-56.9-52.4171.7-74.7177.4000110.6L594 D610 I611 S612 V754 I757 L758L594-L598 HydrophobicContact CD1-CD2 4.14Å; L594-L598 HydrophobicContact CD1-CG 4.34Å; L594-L598 HydrophobicContact CG-CD1 4.44Å; L594-L598 HydrophobicContact CG-CG 4.49Å; L594-L598 WeakPolarHBondContact O-CG 3.07Å; L594-L598 PolarHBondContact O-N 2.87Å; L598-D610 VanDerWaalsContact O-CG 3.27Å; L598-I611 HydrophobicContact CD2-CB 4.37Å; L598-I611 HydrophobicContact CD2-CG2 4.06Å; L598-S612 WeakPolarHBondContact O-CB 3.1Å; L598-S612 PolarHBondContact O-N 2.91Å; L598-S612 VanDerWaalsContact O-N 3.09Å; L598-V754 HydrophobicContact CD2-CG1 3.91Å; L598-I757 HydrophobicContact CD1-CG2 4.28Å; L598-I757 HydrophobicContact CD2-CG2 4.37Å; L598-L758 HydrophobicContact CD1-CB 3.88Å; L598-L758 HydrophobicContact CD1-CD1 3.88Å
599H89.5Confident83.6Confident25 Ų2562.9 Ų62.912%0.11629%0.287CS..SBendtrans-128130.1176.7-58104.9000111.1D610 S612 Q811H599-D610 WeakPolarHBondContact CA-OD2 3.32Å; H599-S612 WeakPolarHBondContact NE2-CB 3.35Å; H599-S612 PolarHBondContact NE2-OG 3.05Å; H599-Q811 PolarHBondContact ND1-O 3.27Å
600Q84.6Confident83.3Confident34 Ų3459.1 Ų59.116%0.15927%0.267CS..  trans-88123.3167.7-74.9-169.35400110.3K261 L609 D610K261-Q600 PolarHBondContact NZ-O 3.28Å; Q600-L609 PolarHBondContact NE2-O 2.93Å; Q600-D610 HydrophobicContact CB-CB 4.14Å; Q600-D610 HydrophobicContact CG-CB 3.87Å; Q600-D610 PolarHBondContact N-OD2 3.2Å
601T84.4Confident83.1Confident6 Ų660.3 Ų60.34%0.03727%0.273CS..  trans-112.4162.9-178.547.70000112.1H549 F810H549-T601 WeakPolarHBondContact CB-OG1 3.47Å; H549-T601 PolarHBondContact CD2-OG1 2.94Å; H549-T601 PolarHBondContact CE1-O 3.44Å; H549-T601 PolarHBondContact NE2-O 2.82Å; T601-F810 WeakPolarHBondContact CG2-O 3.31Å
602G75.3Confident82.9Confident1 Ų159.5 Ų59.51%0.0127%0.269CS..SBendtrans94.4144.3-178.800000113.6H549 K604 W605 M606H549-G602 WeakPolarHBondContact CE1-CA 3.41Å; G602-K604 PolarHBondContact O-N 2.56Å; G602-K604 VanDerWaalsContact O-N 3.17Å; G602-W605 PolarHBondContact O-N 3.21Å; G602-M606 WeakPolarHBondContact O-CB 3.5Å; G602-M606 WeakPolarHBondContact O-CG 3.44Å; G602-M606 PolarHBondContact O-N 3.32Å
603N69.8Low82.6Confident54 Ų5455.4 Ų55.429%0.28926%0.257SS..THydrogen-bonded Turntrans-57.8-35.9-174.3-78.7-3.5000112.5E546 E547 M606E546-N603 HydrophobicContact CB-CB 4.27Å; E546-N603 WeakPolarHBondContact CG-ND2 3.08Å; E546-N603 PolarHBondContact OE1-ND2 3.28Å; E547-N603 PolarHBondContact OE1-N 3.43Å; N603-M606 HydrophobicContact CB-CE 4.43Å; N603-M606 VanDerWaalsContact OD1-CE 3.29Å; N603-M606 WeakPolarHBondContact OD1-CE 3.49Å
604K71.4Confident82.4Confident140 Ų14053.7 Ų53.761%0.60925%0.247SC*.THydrogen-bonded Turntrans-72.3-30.5179.4-171.2176.1-179.6178.40113.1E547 G602 H607E547-K604 VanDerWaalsContact OE1-CB 3.29Å; E547-K604 WeakPolarHBondContact OE1-CB 3.11Å; E547-K604 PolarHBondContact OE1-N 2.71Å; G602-K604 PolarHBondContact O-N 2.56Å; G602-K604 VanDerWaalsContact O-N 3.17Å; K604-H607 PolarHBondContact O-CE1 2.74Å; K604-H607 PolarHBondContact O-ND1 3.36Å; K604-H607 VanDerWaalsContact O-ND1 3.11Å
605W72.4Confident82.3Confident103 Ų10352.3 Ų52.339%0.3924%0.239SC..THydrogen-bonded Turntrans-106.9-6.8-173-50.394.5000113E547 H549 G602 H607 S608E547-W605 PolarHBondContact OE2-NE1 3.4Å; H549-W605 AromaticContact NE2-CD1 3.89Å; G602-W605 PolarHBondContact O-N 3.21Å; W605-H607 PolarHBondContact O-N 3Å; W605-H607 VanDerWaalsContact O-N 3.11Å; W605-S608 WeakPolarHBondContact O-CB 3.49Å; W605-S608 PolarHBondContact O-N 3.36Å
606M65.9Low81.8Confident31 Ų3155.7 Ų55.715%0.15325%0.253CS..THydrogen-bonded Turntrans-56-29-178.6-95.8165.513.600113.9K261 G602 N603 T820K261-M606 WeakPolarHBondContact CD-O 3.47Å; K261-M606 WeakPolarHBondContact CE-O 3.48Å; K261-M606 PolarHBondContact NZ-O 3.3Å; K261-M606 VanDerWaalsContact NZ-O 3.15Å; G602-M606 WeakPolarHBondContact O-CB 3.5Å; G602-M606 WeakPolarHBondContact O-CG 3.44Å; G602-M606 PolarHBondContact O-N 3.32Å; N603-M606 HydrophobicContact CB-CE 4.43Å; N603-M606 VanDerWaalsContact OD1-CE 3.29Å; N603-M606 WeakPolarHBondContact OD1-CE 3.49Å; M606-T820 HydrophobicContact SD-CG2 4.41Å
607H65.6Low81.2Confident146 Ų14656.6 Ų56.668%0.67626%0.258SS*.THydrogen-bonded Turntrans-85-9.6178.567.5-87.2000113.9K604 W605K604-H607 PolarHBondContact O-CE1 2.74Å; K604-H607 PolarHBondContact O-ND1 3.36Å; K604-H607 VanDerWaalsContact O-ND1 3.11Å; W605-H607 PolarHBondContact O-N 3Å; W605-H607 VanDerWaalsContact O-N 3.11Å
608S74.2Confident80.5Confident33 Ų3355.7 Ų55.723%0.23127%0.267CS..SBendtrans-82.8133-178.4-68.40000110.5W605 D610W605-S608 WeakPolarHBondContact O-CB 3.49Å; W605-S608 PolarHBondContact O-N 3.36Å; S608-D610 PolarHBondContact O-N 3.3Å
609L79Confident80.3Confident124 Ų12462 Ų6265%0.64930%0.296SS*.  trans-57.8129.9178.3-71.7162.4000111.3Q600 D613Q600-L609 PolarHBondContact NE2-O 2.93Å; L609-D613 HydrophobicContact CD2-CB 4.07Å
610D87.1Confident80.3Confident10 Ų1062.6 Ų62.65%0.05330%0.299CS..  trans-111.8177.51736439.8000112.9K261 L598 H599 Q600 S608 S612 D613 W614K261-D610 IonicContact NZ-OD2 2.61Å; K261-D610 PolarHBondContact NZ-OD2 2.9Å; L598-D610 VanDerWaalsContact O-CG 3.27Å; H599-D610 WeakPolarHBondContact CA-OD2 3.32Å; Q600-D610 HydrophobicContact CB-CB 4.14Å; Q600-D610 HydrophobicContact CG-CB 3.87Å; Q600-D610 PolarHBondContact N-OD2 3.2Å; S608-D610 PolarHBondContact O-N 3.3Å; D610-S612 PolarHBondContact O-N 2.79Å; D610-S612 WeakPolarHBondContact OD1-CA 3.3Å; D610-S612 VanDerWaalsContact OD1-CB 3.24Å; D610-S612 WeakPolarHBondContact OD1-CB 3.11Å; D610-S612 PolarHBondContact OD1-N 3.46Å; D610-S612 VanDerWaalsContact OD1-N 3.08Å; D610-D613 PolarHBondContact N-OD2 2.97Å; D610-D613 PolarHBondContact O-N 3.09Å; D610-D613 PolarHBondContact OD1-N 2.83Å; D610-W614 PolarHBondContact O-N 3.31Å
611I90.7Very high80.5Confident58 Ų5863.5 Ų63.530%0.29731%0.307SS..Hα-helixtrans-64.8-35.3-178.9-66.2172.5000110.1R597 L598 W614 L615R597-I611 HydrophobicContact CB-CD1 3.43Å; R597-I611 VanDerWaalsContact CB-CD1 3.43Å; R597-I611 HydrophobicContact CB-CG1 4.04Å; R597-I611 WeakPolarHBondContact O-CB 3.3Å; R597-I611 WeakPolarHBondContact O-CG1 3.06Å; R597-I611 PolarHBondContact O-N 2.81Å; L598-I611 HydrophobicContact CD2-CB 4.37Å; L598-I611 HydrophobicContact CD2-CG2 4.06Å; I611-W614 PolarHBondContact O-N 3.39Å; I611-L615 HydrophobicContact CG2-CD1 3.87Å; I611-L615 HydrophobicContact CG2-CG 4.22Å; I611-L615 WeakPolarHBondContact O-CB 3.49Å; I611-L615 VanDerWaalsContact O-CG 3.24Å; I611-L615 WeakPolarHBondContact O-CG 3.47Å; I611-L615 PolarHBondContact O-N 3.44Å
612S88.7Confident80.9Confident5 Ų566.7 Ų66.74%0.03533%0.333CS..Hα-helixtrans-63.9-49.9178-161.80000110.5L598 H599 D610 W614 L615 Y616L598-S612 WeakPolarHBondContact O-CB 3.1Å; L598-S612 PolarHBondContact O-N 2.91Å; L598-S612 VanDerWaalsContact O-N 3.09Å; H599-S612 WeakPolarHBondContact NE2-CB 3.35Å; H599-S612 PolarHBondContact NE2-OG 3.05Å; D610-S612 PolarHBondContact O-N 2.79Å; D610-S612 WeakPolarHBondContact OD1-CA 3.3Å; D610-S612 VanDerWaalsContact OD1-CB 3.24Å; D610-S612 WeakPolarHBondContact OD1-CB 3.11Å; D610-S612 PolarHBondContact OD1-N 3.46Å; D610-S612 VanDerWaalsContact OD1-N 3.08Å; S612-W614 VanDerWaalsContact C-N 3.26Å; S612-W614 PolarHBondContact O-N 3Å; S612-L615 PolarHBondContact O-N 3.44Å; S612-L615 VanDerWaalsContact O-N 3.08Å; S612-Y616 WeakPolarHBondContact O-CD2 3.22Å; S612-Y616 PolarHBondContact O-N 3.21Å; S612-Y616 VanDerWaalsContact OG-CE2 3.22Å; S612-Y616 WeakPolarHBondContact OG-CE2 3.46Å
613D82.7Confident81.8Confident45 Ų4569.4 Ų69.424%0.24135%0.35CS..Hα-helixtrans-55.5-42.9175.7-63.1-31.8000111.4L609 D610L609-D613 HydrophobicContact CD2-CB 4.07Å; D610-D613 PolarHBondContact N-OD2 2.97Å; D610-D613 PolarHBondContact O-N 3.09Å; D610-D613 PolarHBondContact OD1-N 2.83Å
614W88.2Confident83Confident108 Ų10867.3 Ų67.341%0.40934%0.338SS..Hα-helixtrans-64.4-45176.7-178.179.1000112D610 I611 S612 Y616 K617 H620 V623D610-W614 PolarHBondContact O-N 3.31Å; I611-W614 PolarHBondContact O-N 3.39Å; S612-W614 VanDerWaalsContact C-N 3.26Å; S612-W614 PolarHBondContact O-N 3Å; W614-Y616 VanDerWaalsContact C-N 3.3Å; W614-Y616 PolarHBondContact O-N 2.85Å; W614-K617 PolarHBondContact O-N 3.43Å; W614-H620 AromaticContact CD1-CD2 3.54Å; W614-H620 AromaticContact CD1-NE2 3.64Å; W614-H620 AromaticContact CD2-CD2 3.77Å; W614-H620 AromaticContact CE2-CD2 3.28Å; W614-H620 AromaticContact CE2-CE1 3.84Å; W614-H620 AromaticContact CE2-CG 3.74Å; W614-H620 AromaticContact CE2-NE2 3.35Å; W614-H620 VanDerWaalsContact CE2-NE2 3.35Å; W614-H620 AromaticContact CG-CD2 3.92Å; W614-H620 AromaticContact CZ2-CD2 3.73Å; W614-H620 AromaticContact CZ2-CE1 3.65Å; W614-H620 AromaticContact CZ2-CG 3.74Å; W614-H620 AromaticContact CZ2-ND1 3.69Å; W614-H620 AromaticContact CZ2-NE2 3.67Å; W614-H620 AromaticContact NE1-CD2 3.12Å; W614-H620 PolarHBondContact NE1-CD2 3.03Å; W614-H620 AromaticContact NE1-CE1 3.73Å; W614-H620 AromaticContact NE1-NE2 2.89Å; W614-H620 PolarHBondContact NE1-NE2 3.02Å; W614-H620 WeakPolarHBondContact O-CB 3.4Å; W614-H620 PolarHBondContact O-CD2 2.91Å; W614-V623 HydrophobicContact CH2-CG1 4.1Å; W614-V623 HydrophobicContact CH2-CG2 4.44Å; W614-V623 HydrophobicContact CZ3-CG1 3.98Å
615L89.8Confident84.1Confident6 Ų664 Ų643%0.03132%0.322CS..Hα-helixtrans-65.8-30.6179.7-74.2172.4000113.4I611 S612 K617 V623 L624 V754 I757I611-L615 HydrophobicContact CG2-CD1 3.87Å; I611-L615 HydrophobicContact CG2-CG 4.22Å; I611-L615 WeakPolarHBondContact O-CB 3.49Å; I611-L615 VanDerWaalsContact O-CG 3.24Å; I611-L615 WeakPolarHBondContact O-CG 3.47Å; I611-L615 PolarHBondContact O-N 3.44Å; S612-L615 PolarHBondContact O-N 3.44Å; S612-L615 VanDerWaalsContact O-N 3.08Å; L615-K617 VanDerWaalsContact C-N 3.32Å; L615-V623 HydrophobicContact CD2-CB 4.36Å; L615-V623 HydrophobicContact CD2-CG1 3.99Å; L615-L624 HydrophobicContact CB-CB 4.25Å; L615-L624 HydrophobicContact CB-CD1 4.2Å; L615-L624 HydrophobicContact CD1-CD1 4.26Å; L615-L624 HydrophobicContact CD2-CB 4.35Å; L615-V754 HydrophobicContact CB-CG2 4.36Å; L615-V754 HydrophobicContact CD1-CG2 3.97Å; L615-I757 HydrophobicContact CD1-CD1 4.38Å
616Y84Confident85.2Confident72 Ų7262.7 Ų62.728%0.28233%0.326SS..Hα-helixtrans-80.5-8.5179.6-75.4-57.4000114.4S612 W614 L624 K752 P753 V754S612-Y616 WeakPolarHBondContact O-CD2 3.22Å; S612-Y616 PolarHBondContact O-N 3.21Å; S612-Y616 VanDerWaalsContact OG-CE2 3.22Å; S612-Y616 WeakPolarHBondContact OG-CE2 3.46Å; W614-Y616 VanDerWaalsContact C-N 3.3Å; W614-Y616 PolarHBondContact O-N 2.85Å; Y616-L624 HydrophobicContact CD1-CD2 3.92Å; Y616-L624 HydrophobicContact CE1-CD2 3.74Å; Y616-K752 WeakPolarHBondContact OH-CB 3.38Å; Y616-P753 HydrophobicContact CE1-CB 4.47Å; Y616-P753 HydrophobicContact CE1-CG 4.41Å; Y616-P753 WeakPolarHBondContact OH-CD 3.27Å; Y616-V754 HydrophobicContact CD2-CG2 4.46Å; Y616-V754 HydrophobicContact CE1-CG2 4.44Å; Y616-V754 HydrophobicContact CE2-CB 4.25Å; Y616-V754 HydrophobicContact CE2-CG2 3.67Å; Y616-V754 WeakPolarHBondContact OH-CG2 3.41Å; Y616-V754 PolarHBondContact OH-N 3.33Å; Y616-V754 VanDerWaalsContact OH-N 3.11Å
617K78.9Confident86.7Confident74 Ų7462.7 Ų62.732%0.32233%0.329SS..SBendtrans-62.7141.7173.7-66-171.8176.2-175.90110.8W614 L615 E619 H620 V621W614-K617 PolarHBondContact O-N 3.43Å; L615-K617 VanDerWaalsContact C-N 3.32Å; K617-E619 HydrophobicContact CB-CG 3.88Å; K617-E619 HydrophobicContact CD-CG 4.41Å; K617-E619 VanDerWaalsContact CD-OE1 3.3Å; K617-E619 WeakPolarHBondContact CD-OE1 3.17Å; K617-E619 IonicContact NZ-OE1 3.9Å; K617-E619 PolarHBondContact O-N 3.26Å; K617-E619 VanDerWaalsContact O-N 3.08Å; K617-H620 PolarHBondContact O-N 2.89Å; K617-V621 WeakPolarHBondContact O-CG2 3.47Å; K617-V621 PolarHBondContact O-N 3.45Å
618P77.8Confident88.1Confident94 Ų9455.9 Ų55.961%0.6130%0.297SS*.G310 helixtrans-51.3-37.5179.6-28.834.8000114.1H620P618-H620 VanDerWaalsContact C-N 3.26Å; P618-H620 PolarHBondContact O-N 2.85Å
619E86.3Confident89.2Confident134 Ų13458.1 Ų58.163%0.62631%0.306SS*.G310 helixtrans-68.7-15.9177.758-169.5-171.400114.8K617K617-E619 HydrophobicContact CB-CG 3.88Å; K617-E619 HydrophobicContact CD-CG 4.41Å; K617-E619 VanDerWaalsContact CD-OE1 3.3Å; K617-E619 WeakPolarHBondContact CD-OE1 3.17Å; K617-E619 IonicContact NZ-OE1 3.9Å; K617-E619 PolarHBondContact O-N 3.26Å; K617-E619 VanDerWaalsContact O-N 3.08Å
620H90.1Very high90.1Very high36 Ų3655.8 Ų55.817%0.16729%0.294CS..G310 helixtrans-118.42.5-175.5-60.6-35.3000113.5W614 K617 P618 A622 V623 L624W614-H620 AromaticContact CD1-CD2 3.54Å; W614-H620 AromaticContact CD1-NE2 3.64Å; W614-H620 AromaticContact CD2-CD2 3.77Å; W614-H620 AromaticContact CE2-CD2 3.28Å; W614-H620 AromaticContact CE2-CE1 3.84Å; W614-H620 AromaticContact CE2-CG 3.74Å; W614-H620 AromaticContact CE2-NE2 3.35Å; W614-H620 VanDerWaalsContact CE2-NE2 3.35Å; W614-H620 AromaticContact CG-CD2 3.92Å; W614-H620 AromaticContact CZ2-CD2 3.73Å; W614-H620 AromaticContact CZ2-CE1 3.65Å; W614-H620 AromaticContact CZ2-CG 3.74Å; W614-H620 AromaticContact CZ2-ND1 3.69Å; W614-H620 AromaticContact CZ2-NE2 3.67Å; W614-H620 AromaticContact NE1-CD2 3.12Å; W614-H620 PolarHBondContact NE1-CD2 3.03Å; W614-H620 AromaticContact NE1-CE1 3.73Å; W614-H620 AromaticContact NE1-NE2 2.89Å; W614-H620 PolarHBondContact NE1-NE2 3.02Å; W614-H620 WeakPolarHBondContact O-CB 3.4Å; W614-H620 PolarHBondContact O-CD2 2.91Å; K617-H620 PolarHBondContact O-N 2.89Å; P618-H620 VanDerWaalsContact C-N 3.26Å; P618-H620 PolarHBondContact O-N 2.85Å; H620-A622 VanDerWaalsContact C-N 3.26Å; H620-A622 PolarHBondContact O-N 2.98Å; H620-V623 WeakPolarHBondContact O-CA 3.3Å; H620-V623 VanDerWaalsContact O-CB 3.29Å; H620-V623 WeakPolarHBondContact O-CB 3.48Å; H620-V623 PolarHBondContact O-N 3.19Å; H620-L624 PolarHBondContact O-N 3.39Å
621V88.5Confident90.5Very high54 Ų5458 Ų5833%0.32730%0.301SS..Hα-helixtrans-55.7-38.7178.8173.80000112.3K617 V623 L624 W625K617-V621 WeakPolarHBondContact O-CG2 3.47Å; K617-V621 PolarHBondContact O-N 3.45Å; V621-V623 VanDerWaalsContact C-N 3.28Å; V621-V623 PolarHBondContact O-N 3.06Å; V621-L624 WeakPolarHBondContact O-CB 3.47Å; V621-L624 PolarHBondContact O-N 3.24Å; V621-W625 PolarHBondContact O-N 3.3Å
622A92.4Very high90.9Very high72 Ų7255.5 Ų55.560%0.59529%0.288SS*.Hα-helixtrans-62.7-34.9175.700000112.8H620 T626H620-A622 VanDerWaalsContact C-N 3.26Å; H620-A622 PolarHBondContact O-N 2.98Å; A622-T626 WeakPolarHBondContact O-CB 3.4Å; A622-T626 PolarHBondContact O-N 3.46Å; A622-T626 VanDerWaalsContact O-N 3.08Å; A622-T626 PolarHBondContact O-OG1 3.48Å
623V95.2Very high91.3Very high58 Ų5860 Ų6035%0.35231%0.311SS..Hα-helixtrans-69-42.9175-176.10000110W614 L615 H620 V621 W625 T626 C627W614-V623 HydrophobicContact CH2-CG1 4.1Å; W614-V623 HydrophobicContact CH2-CG2 4.44Å; W614-V623 HydrophobicContact CZ3-CG1 3.98Å; L615-V623 HydrophobicContact CD2-CB 4.36Å; L615-V623 HydrophobicContact CD2-CG1 3.99Å; H620-V623 WeakPolarHBondContact O-CA 3.3Å; H620-V623 VanDerWaalsContact O-CB 3.29Å; H620-V623 WeakPolarHBondContact O-CB 3.48Å; H620-V623 PolarHBondContact O-N 3.19Å; V621-V623 VanDerWaalsContact C-N 3.28Å; V621-V623 PolarHBondContact O-N 3.06Å; V623-W625 PolarHBondContact O-N 3.36Å; V623-T626 PolarHBondContact O-N 3.48Å; V623-C627 PolarHBondContact O-N 2.87Å; V623-C627 PolarHBondContact O-SG 2.82Å; V623-C627 VanDerWaalsContact O-SG 3.35Å
624L93.5Very high92Very high10 Ų1060.3 Ų60.35%0.05231%0.312CS..Hα-helixtrans-54.3-53174.6172.962000111.5L615 Y616 H620 V621 T626 C627 L628 P753 V754L615-L624 HydrophobicContact CB-CB 4.25Å; L615-L624 HydrophobicContact CB-CD1 4.2Å; L615-L624 HydrophobicContact CD1-CD1 4.26Å; L615-L624 HydrophobicContact CD2-CB 4.35Å; Y616-L624 HydrophobicContact CD1-CD2 3.92Å; Y616-L624 HydrophobicContact CE1-CD2 3.74Å; H620-L624 PolarHBondContact O-N 3.39Å; V621-L624 WeakPolarHBondContact O-CB 3.47Å; V621-L624 PolarHBondContact O-N 3.24Å; L624-T626 VanDerWaalsContact C-N 3.31Å; L624-T626 PolarHBondContact O-N 3.12Å; L624-C627 PolarHBondContact O-N 3.39Å; L624-L628 WeakPolarHBondContact O-CB 3.27Å; L624-L628 PolarHBondContact O-N 3.47Å; L624-P753 HydrophobicContact CD1-CB 4.3Å; L624-P753 HydrophobicContact CD2-CB 4.29Å; L624-V754 HydrophobicContact CD1-CG2 3.61Å
625W95.2Very high92.4Very high71 Ų7155.3 Ų55.327%0.26929%0.293SS..Hα-helixtrans-59.8-41178.2-78.3108.6000112.5V621 V623 L628 L629 R676 I677V621-W625 PolarHBondContact O-N 3.3Å; V623-W625 PolarHBondContact O-N 3.36Å; W625-L628 WeakPolarHBondContact O-CB 3.24Å; W625-L628 PolarHBondContact O-N 3.39Å; W625-L629 WeakPolarHBondContact O-CG 3.34Å; W625-L629 PolarHBondContact O-N 2.81Å; W625-R676 HydrophobicContact CH2-CB 3.67Å; W625-R676 HydrophobicContact CZ3-CB 4.11Å; W625-I677 HydrophobicContact CH2-CG1 4.02Å; W625-I677 HydrophobicContact CZ3-CG1 4.37Å
626T96.3Very high92.7Very high76 Ų7657.1 Ų57.147%0.46630%0.302SS..Hα-helixtrans-62.4-46.9176.7-57.50000111.4A622 V623 L624 L628 L629 I630A622-T626 WeakPolarHBondContact O-CB 3.4Å; A622-T626 PolarHBondContact O-N 3.46Å; A622-T626 VanDerWaalsContact O-N 3.08Å; A622-T626 PolarHBondContact O-OG1 3.48Å; V623-T626 PolarHBondContact O-N 3.48Å; L624-T626 VanDerWaalsContact C-N 3.31Å; L624-T626 PolarHBondContact O-N 3.12Å; T626-L628 VanDerWaalsContact C-N 3.32Å; T626-L628 PolarHBondContact O-N 2.89Å; T626-L629 PolarHBondContact O-N 3.33Å; T626-I630 HydrophobicContact CG2-CD1 3.94Å; T626-I630 VanDerWaalsContact O-CG1 3.25Å; T626-I630 WeakPolarHBondContact O-CG1 3.21Å; T626-I630 PolarHBondContact O-N 3.32Å
627C95.9Very high93.3Very high31 Ų3156.5 Ų56.521%0.20931%0.306CS..Hα-helixtrans-60.7-41.7175.9-71.10000111.9V623 L624 I630 W631 I757V623-C627 PolarHBondContact O-N 2.87Å; V623-C627 PolarHBondContact O-SG 2.82Å; V623-C627 VanDerWaalsContact O-SG 3.35Å; L624-C627 PolarHBondContact O-N 3.39Å; C627-I630 PolarHBondContact O-N 3.31Å; C627-W631 PolarHBondContact O-N 3.31Å; C627-I757 HydrophobicContact CB-CD1 3.82Å
628L95.6Very high94.1Very high3 Ų355.2 Ų55.22%0.01630%0.301CS..Hα-helixtrans-60.1-47.8178.3-133.8168.9000111.2L624 W625 T626 W631 W632 P753 T756L624-L628 WeakPolarHBondContact O-CB 3.27Å; L624-L628 PolarHBondContact O-N 3.47Å; W625-L628 WeakPolarHBondContact O-CB 3.24Å; W625-L628 PolarHBondContact O-N 3.39Å; T626-L628 VanDerWaalsContact C-N 3.32Å; T626-L628 PolarHBondContact O-N 2.89Å; L628-W631 PolarHBondContact O-N 3.05Å; L628-W632 VanDerWaalsContact CD2-CD1 3.41Å; L628-W632 VanDerWaalsContact O-CD1 3.27Å; L628-W632 PolarHBondContact O-N 2.8Å; L628-W632 VanDerWaalsContact O-N 3.13Å; L628-P753 HydrophobicContact CD1-CB 3.75Å; L628-T756 HydrophobicContact CD2-CG2 3.9Å
629L96.8Very high94.9Very high80 Ų8050.8 Ų50.842%0.41927%0.271SS..Hα-helixtrans-62.5-44.1176.6-70.7172000111.9W625 T626 W631 W632 I633 L673W625-L629 WeakPolarHBondContact O-CG 3.34Å; W625-L629 PolarHBondContact O-N 2.81Å; T626-L629 PolarHBondContact O-N 3.33Å; L629-W631 VanDerWaalsContact C-N 3.31Å; L629-W631 PolarHBondContact O-N 3.43Å; L629-W632 PolarHBondContact O-N 3.43Å; L629-I633 VanDerWaalsContact O-CG1 3.26Å; L629-I633 WeakPolarHBondContact O-CG1 3.25Å; L629-I633 PolarHBondContact O-N 3.13Å; L629-L673 HydrophobicContact CD2-CD1 3.91Å; L629-L673 HydrophobicContact CD2-CD2 4.01Å
630I97.5Very high95.3Very high75 Ų7549.1 Ų49.139%0.38526%0.263SS..Hα-helixtrans-58.1-44.8177.9-70.3166.4000110.8T626 C627 I633 I634T626-I630 HydrophobicContact CG2-CD1 3.94Å; T626-I630 VanDerWaalsContact O-CG1 3.25Å; T626-I630 WeakPolarHBondContact O-CG1 3.21Å; T626-I630 PolarHBondContact O-N 3.32Å; C627-I630 PolarHBondContact O-N 3.31Å; I630-I633 PolarHBondContact O-N 2.84Å; I630-I634 HydrophobicContact CG2-CD1 3.78Å; I630-I634 HydrophobicContact CG2-CG1 4.4Å; I630-I634 VanDerWaalsContact O-CG1 3.28Å; I630-I634 WeakPolarHBondContact O-CG1 3.29Å; I630-I634 PolarHBondContact O-N 3.48Å
631W97.3Very high95.5Very high56 Ų5652.8 Ų52.821%0.21228%0.278CS..Hα-helixtrans-68.7-37.7-178.3-100.1-117.8000112.7L594 C627 L628 L629 I634 F635 I757 L760 S761L594-W631 HydrophobicContact CD2-CZ2 3.81Å; C627-W631 PolarHBondContact O-N 3.31Å; L628-W631 PolarHBondContact O-N 3.05Å; L629-W631 VanDerWaalsContact C-N 3.31Å; L629-W631 PolarHBondContact O-N 3.43Å; W631-I634 HydrophobicContact CD2-CD1 4.44Å; W631-I634 HydrophobicContact CE3-CD1 4.33Å; W631-I634 PolarHBondContact O-N 3.25Å; W631-F635 WeakPolarHBondContact O-CB 3.23Å; W631-F635 PolarHBondContact O-N 2.88Å; W631-I757 HydrophobicContact CD2-CG2 4.15Å; W631-I757 HydrophobicContact CG-CB 4.48Å; W631-I757 HydrophobicContact CG-CG1 4.36Å; W631-I757 HydrophobicContact CG-CG2 4.35Å; W631-I757 HydrophobicContact CZ2-CG2 4.03Å; W631-I757 PolarHBondContact NE1-O 3.44Å; W631-L760 HydrophobicContact CB-CD1 4.04Å; W631-S761 PolarHBondContact NE1-OG 3.21Å
632W97.7Very high95.6Very high5 Ų550.2 Ų50.22%0.01926%0.262CS..Hα-helixtrans-65.7-38.2172.4-76.6128.2000112.9L628 L629 F635 L636 V669 Q672 I745 C748 T756 L760L628-W632 VanDerWaalsContact CD2-CD1 3.41Å; L628-W632 VanDerWaalsContact O-CD1 3.27Å; L628-W632 PolarHBondContact O-N 2.8Å; L628-W632 VanDerWaalsContact O-N 3.13Å; L629-W632 PolarHBondContact O-N 3.43Å; W632-F635 HydrophobicContact CE3-CB 4.4Å; W632-F635 AromaticContact CE3-CD1 3.95Å; W632-F635 HydrophobicContact CE3-CD1 3.95Å; W632-F635 HydrophobicContact CE3-CG 4.28Å; W632-F635 HydrophobicContact CZ3-CD1 4.22Å; W632-F635 HydrophobicContact CZ3-CE1 4.44Å; W632-F635 WeakPolarHBondContact O-CB 3.36Å; W632-F635 PolarHBondContact O-N 2.9Å; W632-L636 WeakPolarHBondContact O-CG 3.35Å; W632-L636 PolarHBondContact O-N 3.18Å; W632-V669 HydrophobicContact CB-CG1 3.8Å; W632-V669 HydrophobicContact CB-CG2 4.3Å; W632-V669 HydrophobicContact CD2-CG1 4.26Å; W632-V669 HydrophobicContact CD2-CG2 3.91Å; W632-V669 HydrophobicContact CE3-CB 4.49Å; W632-V669 HydrophobicContact CE3-CG2 3.47Å; W632-V669 VanDerWaalsContact CE3-CG2 3.47Å; W632-V669 HydrophobicContact CG-CG1 3.93Å; W632-V669 HydrophobicContact CG-CG2 4.3Å; W632-V669 HydrophobicContact CZ3-CG2 4.02Å; W632-Q672 HydrophobicContact CH2-CG 4.15Å; W632-Q672 HydrophobicContact CZ2-CB 3.92Å; W632-Q672 HydrophobicContact CZ2-CG 3.94Å; W632-I745 HydrophobicContact CH2-CG2 4.34Å; W632-C748 HydrophobicContact CH2-CB 3.91Å; W632-C748 HydrophobicContact CZ2-CB 4.08Å; W632-T756 HydrophobicContact CD2-CG2 4.13Å; W632-T756 HydrophobicContact CH2-CG2 4.23Å; W632-T756 HydrophobicContact CZ2-CG2 3.57Å; W632-L760 HydrophobicContact CD2-CD1 4.25Å; W632-L760 HydrophobicContact CE3-CD1 3.83Å; W632-L760 HydrophobicContact CZ3-CD1 4.13Å; W632-L760 HydrophobicContact CZ3-CD2 4.35Å
633I97.6Very high95.4Very high100 Ų10046.8 Ų46.851%0.51323%0.234SC..Hα-helixtrans-63.1-46.2173.2-68.6164.9000110.2L629 I630 F635 L636 V637L629-I633 VanDerWaalsContact O-CG1 3.26Å; L629-I633 WeakPolarHBondContact O-CG1 3.25Å; L629-I633 PolarHBondContact O-N 3.13Å; I630-I633 PolarHBondContact O-N 2.84Å; I633-F635 VanDerWaalsContact C-N 3.27Å; I633-F635 PolarHBondContact O-N 3.38Å; I633-L636 PolarHBondContact O-N 3.21Å; I633-V637 HydrophobicContact CG2-CG2 4.15Å; I633-V637 WeakPolarHBondContact O-CB 3.35Å; I633-V637 VanDerWaalsContact O-CG2 3.26Å; I633-V637 WeakPolarHBondContact O-CG2 3.24Å; I633-V637 PolarHBondContact O-N 2.81Å
634I97.1Very high95.1Very high52 Ų5248 Ų4827%0.26724%0.238SC..Hα-helixtrans-56.3-45.1176.1-72.1167.1000110.3I630 W631 V637 F638 I764I630-I634 HydrophobicContact CG2-CD1 3.78Å; I630-I634 HydrophobicContact CG2-CG1 4.4Å; I630-I634 VanDerWaalsContact O-CG1 3.28Å; I630-I634 WeakPolarHBondContact O-CG1 3.29Å; I630-I634 PolarHBondContact O-N 3.48Å; W631-I634 HydrophobicContact CD2-CD1 4.44Å; W631-I634 HydrophobicContact CE3-CD1 4.33Å; W631-I634 PolarHBondContact O-N 3.25Å; I634-V637 PolarHBondContact O-N 3.33Å; I634-F638 HydrophobicContact CG2-CD2 3.89Å; I634-F638 HydrophobicContact CG2-CE2 3.81Å; I634-F638 HydrophobicContact CG2-CG 4.49Å; I634-F638 HydrophobicContact CG2-CZ 4.33Å; I634-F638 WeakPolarHBondContact O-CB 3.33Å; I634-F638 WeakPolarHBondContact O-CD2 3.48Å; I634-F638 PolarHBondContact O-N 3.09Å; I634-I764 HydrophobicContact CG2-CD1 4.14Å
635F97.1Very high94.7Very high2 Ų251.3 Ų51.31%0.00925%0.253CS..Hα-helixtrans-57.3-50.4176.6163.5-98.6000112.7W631 W632 I633 F638 R639 V669 I745 L760 W763W631-F635 WeakPolarHBondContact O-CB 3.23Å; W631-F635 PolarHBondContact O-N 2.88Å; W632-F635 HydrophobicContact CE3-CB 4.4Å; W632-F635 AromaticContact CE3-CD1 3.95Å; W632-F635 HydrophobicContact CE3-CD1 3.95Å; W632-F635 HydrophobicContact CE3-CG 4.28Å; W632-F635 HydrophobicContact CZ3-CD1 4.22Å; W632-F635 HydrophobicContact CZ3-CE1 4.44Å; W632-F635 WeakPolarHBondContact O-CB 3.36Å; W632-F635 PolarHBondContact O-N 2.9Å; I633-F635 VanDerWaalsContact C-N 3.27Å; I633-F635 PolarHBondContact O-N 3.38Å; F635-F638 PolarHBondContact O-N 2.88Å; F635-R639 HydrophobicContact CE2-CG 4.24Å; F635-R639 VanDerWaalsContact CZ-CD 3.49Å; F635-R639 HydrophobicContact CZ-CG 4.39Å; F635-R639 PolarHBondContact O-N 2.98Å; F635-V669 HydrophobicContact CD1-CG2 3.94Å; F635-V669 HydrophobicContact CE1-CG2 4.03Å; F635-I745 HydrophobicContact CE1-CD1 4.4Å; F635-I745 HydrophobicContact CE2-CD1 3.57Å; F635-I745 HydrophobicContact CE2-CG1 3.96Å; F635-I745 HydrophobicContact CZ-CD1 3.33Å; F635-I745 HydrophobicContact CZ-CG1 4.07Å; F635-L760 HydrophobicContact CB-CD1 4.07Å; F635-L760 HydrophobicContact CB-CD2 4.07Å; F635-L760 HydrophobicContact CD2-CD2 3.72Å; F635-L760 HydrophobicContact CE2-CD2 4.46Å; F635-L760 HydrophobicContact CG-CD2 4.08Å; F635-W763 HydrophobicContact CB-CZ3 4.28Å; F635-W763 HydrophobicContact CD2-CE3 4.21Å; F635-W763 AromaticContact CD2-CH2 3.67Å; F635-W763 HydrophobicContact CD2-CH2 3.67Å; F635-W763 HydrophobicContact CD2-CZ2 4.29Å; F635-W763 AromaticContact CD2-CZ3 3.66Å; F635-W763 HydrophobicContact CD2-CZ3 3.66Å; F635-W763 HydrophobicContact CE2-CH2 4.23Å; F635-W763 HydrophobicContact CE2-CZ2 4.45Å; F635-W763 HydrophobicContact CG-CZ3 4.42Å
636L96.5Very high94.2Very high44 Ų4449.2 Ų49.223%0.2325%0.246CC..Hα-helixtrans-63.9-43178.4-67.9176.4000111.9W632 I633 F638 R639 F640 A666 V669W632-L636 WeakPolarHBondContact O-CG 3.35Å; W632-L636 PolarHBondContact O-N 3.18Å; I633-L636 PolarHBondContact O-N 3.21Å; L636-F638 VanDerWaalsContact C-N 3.34Å; L636-F638 PolarHBondContact O-N 2.71Å; L636-R639 PolarHBondContact O-N 3.07Å; L636-F640 VanDerWaalsContact O-CB 3.32Å; L636-F640 WeakPolarHBondContact O-CB 3.21Å; L636-F640 PolarHBondContact O-N 2.99Å; L636-A666 HydrophobicContact CD2-CB 4.26Å; L636-V669 HydrophobicContact CD1-CG2 4.24Å; L636-V669 HydrophobicContact CD2-CG2 4.08Å; L636-V669 HydrophobicContact CG-CG2 4.12Å
637V96.8Very high93.3Very high59 Ų5951.7 Ų51.736%0.35825%0.247SC..Hα-helixtrans-62.2-41.6177.3169.60000111.1I633 I634 F640 K641I633-V637 HydrophobicContact CG2-CG2 4.15Å; I633-V637 WeakPolarHBondContact O-CB 3.35Å; I633-V637 VanDerWaalsContact O-CG2 3.26Å; I633-V637 WeakPolarHBondContact O-CG2 3.24Å; I633-V637 PolarHBondContact O-N 2.81Å; I634-V637 PolarHBondContact O-N 3.33Å; V637-F640 PolarHBondContact O-N 2.7Å; V637-K641 HydrophobicContact CG1-CD 4.13Å; V637-K641 HydrophobicContact CG1-CG 4.4Å; V637-K641 WeakPolarHBondContact O-CB 3.4Å; V637-K641 WeakPolarHBondContact O-CG 3.34Å; V637-K641 PolarHBondContact O-N 3.08Å
638F95.8Very high92.1Very high48 Ų4851 Ų5121%0.21124%0.243CC..Hα-helixtrans-67.6-43.7179.2-87.7-134.5000111.3I634 F635 L636 F640 K641 A642 F732 I736 W763 I764I634-F638 HydrophobicContact CG2-CD2 3.89Å; I634-F638 HydrophobicContact CG2-CE2 3.81Å; I634-F638 HydrophobicContact CG2-CG 4.49Å; I634-F638 HydrophobicContact CG2-CZ 4.33Å; I634-F638 WeakPolarHBondContact O-CB 3.33Å; I634-F638 WeakPolarHBondContact O-CD2 3.48Å; I634-F638 PolarHBondContact O-N 3.09Å; F635-F638 PolarHBondContact O-N 2.88Å; L636-F638 VanDerWaalsContact C-N 3.34Å; L636-F638 PolarHBondContact O-N 2.71Å; F638-F640 VanDerWaalsContact C-N 3.35Å; F638-F640 PolarHBondContact O-N 3.02Å; F638-K641 PolarHBondContact O-N 3.09Å; F638-A642 VanDerWaalsContact O-CB 3.28Å; F638-A642 WeakPolarHBondContact O-CB 3.44Å; F638-A642 PolarHBondContact O-N 2.81Å; F638-F732 HydrophobicContact CD1-CZ 4.37Å; F638-F732 HydrophobicContact CE1-CZ 4.08Å; F638-I736 HydrophobicContact CB-CG2 4.2Å; F638-I736 HydrophobicContact CD1-CD1 4.12Å; F638-W763 HydrophobicContact CB-CH2 3.78Å; F638-W763 HydrophobicContact CB-CZ3 4.09Å; F638-I764 HydrophobicContact CD1-CD1 4.22Å; F638-I764 HydrophobicContact CD1-CG1 4.09Å; F638-I764 HydrophobicContact CE1-CD1 3.8Å; F638-I764 HydrophobicContact CE1-CG1 3.89Å; F638-I764 HydrophobicContact CE1-CG2 4.31Å; F638-I764 HydrophobicContact CZ-CD1 4.24Å
639R94.4Very high91.1Very high0 Ų057.3 Ų57.30%028%0.276CS..Hα-helixtrans-59.6-45.5172.9-78.4-168.9165.6-165.21.8111.5F635 L636 A642 I643 P661 V662 D701 S741 I745 W763F635-R639 HydrophobicContact CE2-CG 4.24Å; F635-R639 VanDerWaalsContact CZ-CD 3.49Å; F635-R639 HydrophobicContact CZ-CG 4.39Å; F635-R639 PolarHBondContact O-N 2.98Å; L636-R639 PolarHBondContact O-N 3.07Å; R639-A642 PolarHBondContact O-N 2.78Å; R639-I643 WeakPolarHBondContact O-CG1 3.2Å; R639-I643 PolarHBondContact O-N 3.37Å; R639-P661 PolarHBondContact NH1-O 3.29Å; R639-V662 HydrophobicContact CB-CG2 4Å; R639-D701 IonicContact CZ-OD1 3.52Å; R639-D701 IonicContact CZ-OD2 2.98Å; R639-D701 IonicContact NH1-OD1 2.74Å; R639-D701 PolarHBondContact NH1-OD1 3.4Å; R639-D701 IonicContact NH1-OD2 2.86Å; R639-D701 IonicContact NH2-OD1 3.77Å; R639-D701 PolarHBondContact NH2-OD1 2.79Å; R639-D701 IonicContact NH2-OD2 2.66Å; R639-D701 PolarHBondContact NH2-OD2 3.47Å; R639-S741 PolarHBondContact NH2-OG 3.23Å; R639-I745 VanDerWaalsContact NH2-CD1 3.26Å; R639-W763 HydrophobicContact CG-CH2 4.24Å; R639-W763 HydrophobicContact CG-CZ2 4.32Å
640F94.2Very high90.1Very high100 Ų10054.9 Ų54.944%0.43927%0.271SS..Hα-helixtrans-62.9-47.4178.7-176.2-109.6000112.5L636 V637 F638 A642 I643 I644 V662L636-F640 VanDerWaalsContact O-CB 3.32Å; L636-F640 WeakPolarHBondContact O-CB 3.21Å; L636-F640 PolarHBondContact O-N 2.99Å; V637-F640 PolarHBondContact O-N 2.7Å; F638-F640 VanDerWaalsContact C-N 3.35Å; F638-F640 PolarHBondContact O-N 3.02Å; F640-A642 PolarHBondContact O-N 2.87Å; F640-I643 PolarHBondContact O-N 3.28Å; F640-I644 HydrophobicContact CD1-CD1 3.69Å; F640-I644 HydrophobicContact CE1-CD1 3.23Å; F640-I644 HydrophobicContact CE1-CG1 4.41Å; F640-I644 HydrophobicContact CE2-CD1 4.13Å; F640-I644 HydrophobicContact CG-CD1 4.33Å; F640-I644 HydrophobicContact CZ-CD1 3.49Å; F640-I644 VanDerWaalsContact CZ-CD1 3.49Å; F640-I644 HydrophobicContact CZ-CG1 4.4Å; F640-I644 WeakPolarHBondContact O-CG1 3.25Å; F640-I644 PolarHBondContact O-N 3.38Å; F640-V662 HydrophobicContact CB-CG2 4.2Å; F640-V662 HydrophobicContact CD2-CG1 4.49Å; F640-V662 HydrophobicContact CD2-CG2 4.49Å
641K93.4Very high89.4Confident112 Ų11254.2 Ų54.249%0.48727%0.273SS..Hα-helixtrans-61.4-41.7175.9-78.7-175.3175.6-179.40112.4V637 F638 I643 I644 H645 W733V637-K641 HydrophobicContact CG1-CD 4.13Å; V637-K641 HydrophobicContact CG1-CG 4.4Å; V637-K641 WeakPolarHBondContact O-CB 3.4Å; V637-K641 WeakPolarHBondContact O-CG 3.34Å; V637-K641 PolarHBondContact O-N 3.08Å; F638-K641 PolarHBondContact O-N 3.09Å; K641-I643 VanDerWaalsContact C-N 3.34Å; K641-I643 PolarHBondContact O-N 3.44Å; K641-I644 PolarHBondContact O-N 2.86Å; K641-H645 WeakPolarHBondContact O-CB 3.26Å; K641-H645 PolarHBondContact O-N 3.27Å; K641-W733 HydrophobicContact CB-CE3 4.45Å; K641-W733 HydrophobicContact CB-CH2 3.8Å; K641-W733 HydrophobicContact CB-CZ2 4.48Å; K641-W733 HydrophobicContact CB-CZ3 3.78Å; K641-W733 HydrophobicContact CD-CH2 4.11Å
642A91.4Very high88.8Confident0 Ų058 Ų580%030%0.296CS..Hα-helixtrans-59.7-45.917700000111.6F638 R639 F640 H645 L646 W733 I736 I737F638-A642 VanDerWaalsContact O-CB 3.28Å; F638-A642 WeakPolarHBondContact O-CB 3.44Å; F638-A642 PolarHBondContact O-N 2.81Å; R639-A642 PolarHBondContact O-N 2.78Å; F640-A642 PolarHBondContact O-N 2.87Å; A642-H645 PolarHBondContact O-N 3.3Å; A642-L646 WeakPolarHBondContact O-CB 3.28Å; A642-L646 WeakPolarHBondContact O-CG 3.35Å; A642-L646 PolarHBondContact O-N 3.47Å; A642-W733 HydrophobicContact CB-CB 4.07Å; A642-W733 HydrophobicContact CB-CD2 4.39Å; A642-W733 HydrophobicContact CB-CE3 3.73Å; A642-I736 HydrophobicContact CB-CB 4.32Å; A642-I736 HydrophobicContact CB-CG2 3.86Å; A642-I737 HydrophobicContact CB-CB 4.47Å; A642-I737 HydrophobicContact CB-CD1 4.37Å; A642-I737 HydrophobicContact CB-CG1 4.22Å; A642-I737 HydrophobicContact CB-CG2 3.55Å
643I89Confident88.1Confident0 Ų066.4 Ų66.40%033%0.328CS..Hα-helixtrans-61.9-46177.4-71.3-177.8000110.7R639 F640 K641 R647 Y658 Y659 P661 V662 I737R639-I643 WeakPolarHBondContact O-CG1 3.2Å; R639-I643 PolarHBondContact O-N 3.37Å; F640-I643 PolarHBondContact O-N 3.28Å; K641-I643 VanDerWaalsContact C-N 3.34Å; K641-I643 PolarHBondContact O-N 3.44Å; I643-R647 PolarHBondContact O-N 2.88Å; I643-R647 VanDerWaalsContact O-N 3.16Å; I643-Y658 HydrophobicContact CB-CE1 4.2Å; I643-Y658 HydrophobicContact CG2-CD1 3.69Å; I643-Y658 HydrophobicContact CG2-CE1 3.32Å; I643-Y658 WeakPolarHBondContact O-CE1 3.29Å; I643-Y658 PolarHBondContact O-OH 3.46Å; I643-Y659 HydrophobicContact CG2-CD1 3.63Å; I643-Y659 HydrophobicContact CG2-CE1 3.6Å; I643-Y659 HydrophobicContact CG2-CG 4.3Å; I643-P661 HydrophobicContact CD1-CB 4.36Å; I643-V662 HydrophobicContact CD1-CB 4.25Å; I643-V662 HydrophobicContact CD1-CG2 3.44Å; I643-V662 VanDerWaalsContact CD1-CG2 3.44Å; I643-V662 HydrophobicContact CG1-CG2 4.45Å; I643-I737 HydrophobicContact CG1-CD1 4.39Å; I643-I737 HydrophobicContact CG1-CG2 4.32Å
644I88.4Confident87.5Confident85 Ų8564.3 Ų64.344%0.43632%0.316SS..Hα-helixtrans-60.9-47.8178.2-71.4172.7000111.5F640 K641 L646 R647F640-I644 HydrophobicContact CD1-CD1 3.69Å; F640-I644 HydrophobicContact CE1-CD1 3.23Å; F640-I644 HydrophobicContact CE1-CG1 4.41Å; F640-I644 HydrophobicContact CE2-CD1 4.13Å; F640-I644 HydrophobicContact CG-CD1 4.33Å; F640-I644 HydrophobicContact CZ-CD1 3.49Å; F640-I644 VanDerWaalsContact CZ-CD1 3.49Å; F640-I644 HydrophobicContact CZ-CG1 4.4Å; F640-I644 WeakPolarHBondContact O-CG1 3.25Å; F640-I644 PolarHBondContact O-N 3.38Å; K641-I644 PolarHBondContact O-N 2.86Å; I644-L646 VanDerWaalsContact C-N 3.35Å; I644-L646 PolarHBondContact O-N 2.76Å; I644-R647 VanDerWaalsContact O-CB 3.25Å; I644-R647 WeakPolarHBondContact O-CB 3.25Å; I644-R647 PolarHBondContact O-N 3.5Å
645H85.6Confident86.9Confident79 Ų7965.5 Ų65.537%0.36632%0.319SS..Hα-helixtrans-66.3-38.4-175.9-163.4-29.6000112K641 A642 R647 W733K641-H645 WeakPolarHBondContact O-CB 3.26Å; K641-H645 PolarHBondContact O-N 3.27Å; A642-H645 PolarHBondContact O-N 3.3Å; H645-R647 VanDerWaalsContact C-N 3.32Å; H645-R647 PolarHBondContact O-N 2.96Å; H645-W733 HydrophobicContact CB-CG 4.24Å; H645-W733 AromaticContact CD2-CD1 3.12Å; H645-W733 AromaticContact CD2-NE1 3.09Å; H645-W733 PolarHBondContact CD2-NE1 3.03Å; H645-W733 AromaticContact CG-CD1 3.57Å; H645-W733 AromaticContact CG-NE1 3.94Å; H645-W733 AromaticContact NE2-CD1 3.8Å; H645-W733 AromaticContact NE2-NE1 3.8Å
646L83.8Confident86.4Confident26 Ų2668.9 Ų68.914%0.13634%0.343CS..THydrogen-bonded Turntrans-883.6-178.1-65.2172.4000114.3A642 I644 P648 Y658 K730 W733 D734 I737A642-L646 WeakPolarHBondContact O-CB 3.28Å; A642-L646 WeakPolarHBondContact O-CG 3.35Å; A642-L646 PolarHBondContact O-N 3.47Å; I644-L646 VanDerWaalsContact C-N 3.35Å; I644-L646 PolarHBondContact O-N 2.76Å; L646-P648 WeakPolarHBondContact O-CD 3.46Å; L646-Y658 WeakPolarHBondContact CA-OH 3.32Å; L646-Y658 WeakPolarHBondContact CB-OH 3.47Å; L646-Y658 PolarHBondContact O-OH 3.37Å; L646-K730 HydrophobicContact CD2-CB 3.8Å; L646-K730 HydrophobicContact CD2-CD 4.41Å; L646-K730 HydrophobicContact CD2-CG 4.02Å; L646-W733 HydrophobicContact CD1-CB 3.91Å; L646-W733 HydrophobicContact CG-CB 4.05Å; L646-D734 HydrophobicContact CD1-CB 3.95Å; L646-I737 HydrophobicContact CD1-CD1 3.64Å; L646-I737 HydrophobicContact CD1-CG1 4.06Å
647R78Confident86Confident129 Ų12969.6 Ų69.649%0.48734%0.344SS..  trans-54.4115.1-169.6-176.6179.1178.9-179.11.6112.4I643 I644 H645 Y658I643-R647 PolarHBondContact O-N 2.88Å; I643-R647 VanDerWaalsContact O-N 3.16Å; I644-R647 VanDerWaalsContact O-CB 3.25Å; I644-R647 WeakPolarHBondContact O-CB 3.25Å; I644-R647 PolarHBondContact O-N 3.5Å; H645-R647 VanDerWaalsContact C-N 3.32Å; H645-R647 PolarHBondContact O-N 2.96Å; R647-Y658 WeakPolarHBondContact CA-OH 3.28Å; R647-Y658 HydrophobicContact CB-CE1 4.23Å; R647-Y658 HydrophobicContact CG-CE1 4.43Å; R647-Y658 PolarHBondContact N-OH 3.19Å; R647-Y658 VanDerWaalsContact N-OH 3.16Å
648P70.4Confident85.4Confident17 Ų1767 Ų6711%0.1133%0.329CS..  trans-87.1152168.432-27.8000111.7L646 Y658 K715L646-P648 WeakPolarHBondContact O-CD 3.46Å; P648-Y658 HydrophobicContact CG-CD2 4.39Å; P648-Y658 HydrophobicContact CG-CE2 4.26Å; P648-K715 HydrophobicContact CB-CD 3.56Å; P648-K715 HydrophobicContact CG-CD 4.1Å
649N74.6Confident85.2Confident135 Ų13567.9 Ų67.972%0.72233%0.331SS*.  trans-69.9135.3168.9-72.2-8.4000109.3K715N649-K715 PolarHBondContact O-NZ 2.85Å
650G75.8Confident85Confident29 Ų2968.8 Ų68.830%0.29934%0.338SS..  trans-170.3171.8-173.400000114.5E654 K655G650-E654 WeakPolarHBondContact CA-OE2 3.01Å; G650-K655 WeakPolarHBondContact O-CE 3.16Å
651S82.7Confident85Confident61 Ų6164 Ų6443%0.42732%0.317SS..  trans-64165.1175.675.70000111.6W653 E654 K655S651-W653 VanDerWaalsContact C-N 3.26Å; S651-W653 PolarHBondContact O-N 2.96Å; S651-E654 PolarHBondContact N-OE2 2.85Å; S651-E654 PolarHBondContact O-N 3.07Å; S651-E654 WeakPolarHBondContact OG-CG 3.4Å; S651-E654 PolarHBondContact OG-N 3.41Å; S651-K655 WeakPolarHBondContact O-CG 3.43Å; S651-K655 PolarHBondContact O-N 3.25Å
652L85.1Confident85Confident135 Ų13560.1 Ų60.171%0.70730%0.303SS*.Hα-helixtrans-56.9-41.7176.2-175.964.8000111.7K655 C656L652-K655 WeakPolarHBondContact O-CB 3.38Å; L652-K655 PolarHBondContact O-N 3.34Å; L652-K655 VanDerWaalsContact O-N 3.15Å; L652-C656 PolarHBondContact O-N 3.5Å; L652-C656 PolarHBondContact O-SG 3.03Å
653W83Confident85.1Confident181 Ų18164.8 Ų64.869%0.68633%0.327SS*.Hα-helixtrans-61.9-44.1177.8-177.3-108.6000112.7S651 K655 C656 Q657S651-W653 VanDerWaalsContact C-N 3.26Å; S651-W653 PolarHBondContact O-N 2.96Å; W653-K655 VanDerWaalsContact C-N 3.29Å; W653-K655 PolarHBondContact O-N 2.9Å; W653-C656 PolarHBondContact O-N 3.22Å; W653-Q657 VanDerWaalsContact NE1-NE2 3.14Å; W653-Q657 PolarHBondContact O-N 3.23Å; W653-Q657 VanDerWaalsContact O-N 3.13Å
654E83.9Confident85.4Confident56 Ų5665.4 Ų65.426%0.26233%0.33SS..Hα-helixtrans-63.4-36.4174.9-68.5179.1132.100111.6G650 S651 Q657 Y658 K715G650-E654 WeakPolarHBondContact CA-OE2 3.01Å; S651-E654 PolarHBondContact N-OE2 2.85Å; S651-E654 PolarHBondContact O-N 3.07Å; S651-E654 WeakPolarHBondContact OG-CG 3.4Å; S651-E654 PolarHBondContact OG-N 3.41Å; E654-Q657 PolarHBondContact O-N 2.61Å; E654-Y658 WeakPolarHBondContact O-CB 3.31Å; E654-Y658 PolarHBondContact O-N 3.45Å; E654-K715 WeakPolarHBondContact OE1-CE 3.34Å; E654-K715 IonicContact OE1-NZ 2.76Å; E654-K715 PolarHBondContact OE1-NZ 3.19Å; E654-K715 IonicContact OE2-NZ 2.64Å; E654-K715 PolarHBondContact OE2-NZ 3.49Å
655K85.4Confident85.7Confident78 Ų7861.3 Ų61.334%0.33931%0.31SS..Hα-helixtrans-62.3-46.2174.6-68173.1-171171.90110.8G650 S651 L652 W653 Q657 Y658 Y659G650-K655 WeakPolarHBondContact O-CE 3.16Å; S651-K655 WeakPolarHBondContact O-CG 3.43Å; S651-K655 PolarHBondContact O-N 3.25Å; L652-K655 WeakPolarHBondContact O-CB 3.38Å; L652-K655 PolarHBondContact O-N 3.34Å; L652-K655 VanDerWaalsContact O-N 3.15Å; W653-K655 VanDerWaalsContact C-N 3.29Å; W653-K655 PolarHBondContact O-N 2.9Å; K655-Q657 PolarHBondContact O-N 3.2Å; K655-Y658 WeakPolarHBondContact O-CB 3.41Å; K655-Y658 PolarHBondContact O-N 3.46Å; K655-Y658 VanDerWaalsContact O-N 3.11Å; K655-Y659 HydrophobicContact CB-CD2 4.43Å; K655-Y659 WeakPolarHBondContact O-CD2 3.2Å; K655-Y659 PolarHBondContact O-N 3.48Å
656C87.1Confident86.2Confident73 Ų7359.6 Ų59.649%0.49331%0.309SS..Hα-helixtrans-57.1-49.8177.5-670000111.9L652 W653 Y658 Y659 A660L652-C656 PolarHBondContact O-N 3.5Å; L652-C656 PolarHBondContact O-SG 3.03Å; W653-C656 PolarHBondContact O-N 3.22Å; C656-Y658 PolarHBondContact O-N 3.39Å; C656-Y659 PolarHBondContact O-N 3.33Å; C656-A660 PolarHBondContact O-N 2.81Å
657Q86.3Confident86.9Confident58 Ų5864 Ų6427%0.27133%0.327SS..Hα-helixtrans-62.1-32.9177-67.1-176.4-22.800112.4W653 E654 K655 I711W653-Q657 VanDerWaalsContact NE1-NE2 3.14Å; W653-Q657 PolarHBondContact O-N 3.23Å; W653-Q657 VanDerWaalsContact O-N 3.13Å; E654-Q657 PolarHBondContact O-N 2.61Å; K655-Q657 PolarHBondContact O-N 3.2Å; Q657-I711 HydrophobicContact CB-CD1 3.77Å
658Y85.6Confident87.8Confident6 Ų657.8 Ų57.82%0.02430%0.304CS..Hα-helixtrans-72.5-38.4179.3-173.1-105.8000113.1I643 L646 R647 P648 E654 K655 C656 P661 S708 R712I643-Y658 HydrophobicContact CB-CE1 4.2Å; I643-Y658 HydrophobicContact CG2-CD1 3.69Å; I643-Y658 HydrophobicContact CG2-CE1 3.32Å; I643-Y658 WeakPolarHBondContact O-CE1 3.29Å; I643-Y658 PolarHBondContact O-OH 3.46Å; L646-Y658 WeakPolarHBondContact CA-OH 3.32Å; L646-Y658 WeakPolarHBondContact CB-OH 3.47Å; L646-Y658 PolarHBondContact O-OH 3.37Å; R647-Y658 WeakPolarHBondContact CA-OH 3.28Å; R647-Y658 HydrophobicContact CB-CE1 4.23Å; R647-Y658 HydrophobicContact CG-CE1 4.43Å; R647-Y658 PolarHBondContact N-OH 3.19Å; R647-Y658 VanDerWaalsContact N-OH 3.16Å; P648-Y658 HydrophobicContact CG-CD2 4.39Å; P648-Y658 HydrophobicContact CG-CE2 4.26Å; E654-Y658 WeakPolarHBondContact O-CB 3.31Å; E654-Y658 PolarHBondContact O-N 3.45Å; K655-Y658 WeakPolarHBondContact O-CB 3.41Å; K655-Y658 PolarHBondContact O-N 3.46Å; K655-Y658 VanDerWaalsContact O-N 3.11Å; C656-Y658 PolarHBondContact O-N 3.39Å; Y658-P661 WeakPolarHBondContact O-CD 3.3Å; Y658-S708 PolarHBondContact O-OG 3.38Å; Y658-R712 HydrophobicContact CD2-CG 4.37Å; Y658-R712 HydrophobicContact CE2-CG 3.67Å
659Y90.2Very high89.1Confident66 Ų6657.6 Ų57.626%0.25930%0.302SS..Hα-helixtrans-83.5-14.6176.9-77.4-78.8000114I643 K655 C656 P661 V662I643-Y659 HydrophobicContact CG2-CD1 3.63Å; I643-Y659 HydrophobicContact CG2-CE1 3.6Å; I643-Y659 HydrophobicContact CG2-CG 4.3Å; K655-Y659 HydrophobicContact CB-CD2 4.43Å; K655-Y659 WeakPolarHBondContact O-CD2 3.2Å; K655-Y659 PolarHBondContact O-N 3.48Å; C656-Y659 PolarHBondContact O-N 3.33Å; Y659-P661 VanDerWaalsContact C-N 3.3Å; Y659-P661 VanDerWaalsContact O-N 3.15Å; Y659-V662 PolarHBondContact O-N 2.97Å
660A91.9Very high90.1Very high19 Ų1957.7 Ų57.716%0.15729%0.294CS..Hα-helixtrans-49.7-37.1-179.400000115.4C656 V662 I663 T664 C704C656-A660 PolarHBondContact O-N 2.81Å; A660-V662 VanDerWaalsContact C-N 3.28Å; A660-V662 PolarHBondContact O-N 3.42Å; A660-I663 PolarHBondContact O-N 3.47Å; A660-T664 WeakPolarHBondContact O-CG2 3.36Å; A660-T664 PolarHBondContact O-N 3.45Å; A660-T664 PolarHBondContact O-OG1 3.4Å; A660-C704 HydrophobicContact CB-CB 3.97Å
661P92.4Very high91.1Very high0 Ų057.1 Ų57.10%028%0.283CS..Hα-helixtrans-63.9-23.3177.3-25.636.9000115.7R639 I643 Y658 Y659 T664 G665 C704 L705R639-P661 PolarHBondContact NH1-O 3.29Å; I643-P661 HydrophobicContact CD1-CB 4.36Å; Y658-P661 WeakPolarHBondContact O-CD 3.3Å; Y659-P661 VanDerWaalsContact C-N 3.3Å; Y659-P661 VanDerWaalsContact O-N 3.15Å; P661-T664 VanDerWaalsContact CA-OG1 3.26Å; P661-T664 WeakPolarHBondContact CA-OG1 3.41Å; P661-T664 PolarHBondContact O-OG1 2.93Å; P661-G665 PolarHBondContact O-N 3.03Å; P661-C704 HydrophobicContact CG-CB 4.4Å; P661-L705 HydrophobicContact CB-CD2 3.66Å; P661-L705 HydrophobicContact CB-CG 4.08Å; P661-L705 HydrophobicContact CG-CD2 3.94Å; P661-L705 HydrophobicContact CG-CG 4.25Å
662V93.4Very high91.8Very high30 Ų3054.3 Ų54.318%0.18226%0.264CS..Hα-helixtrans-79-40.6174.1164.60000110.5R639 F640 I643 Y659 A660 G665 A666R639-V662 HydrophobicContact CB-CG2 4Å; F640-V662 HydrophobicContact CB-CG2 4.2Å; F640-V662 HydrophobicContact CD2-CG1 4.49Å; F640-V662 HydrophobicContact CD2-CG2 4.49Å; I643-V662 HydrophobicContact CD1-CB 4.25Å; I643-V662 HydrophobicContact CD1-CG2 3.44Å; I643-V662 VanDerWaalsContact CD1-CG2 3.44Å; I643-V662 HydrophobicContact CG1-CG2 4.45Å; Y659-V662 PolarHBondContact O-N 2.97Å; A660-V662 VanDerWaalsContact C-N 3.28Å; A660-V662 PolarHBondContact O-N 3.42Å; V662-G665 PolarHBondContact O-N 3.39Å; V662-A666 PolarHBondContact O-N 2.93Å
663I93.5Very high92.3Very high97 Ų9749.4 Ų49.450%0.49724%0.238SC..Hα-helixtrans-65.7-52.6179.3-61172.6000110A660 G665 A666 F667A660-I663 PolarHBondContact O-N 3.47Å; I663-G665 VanDerWaalsContact C-N 3.31Å; I663-G665 PolarHBondContact O-N 3.29Å; I663-A666 WeakPolarHBondContact O-CB 3.26Å; I663-A666 PolarHBondContact O-N 2.86Å; I663-A666 VanDerWaalsContact O-N 3.09Å; I663-F667 HydrophobicContact CG2-CD2 3.88Å; I663-F667 HydrophobicContact CG2-CE2 3.66Å; I663-F667 VanDerWaalsContact O-CD2 3.27Å; I663-F667 WeakPolarHBondContact O-CD2 3.49Å; I663-F667 PolarHBondContact O-N 3.27Å
664T95.8Very high92.8Very high13 Ų1343.6 Ų43.68%0.0822%0.22CC..Hα-helixtrans-59.1-42.4175.847.20000111.6A660 P661 A666 F667 I668 V700 D701 C704A660-T664 WeakPolarHBondContact O-CG2 3.36Å; A660-T664 PolarHBondContact O-N 3.45Å; A660-T664 PolarHBondContact O-OG1 3.4Å; P661-T664 VanDerWaalsContact CA-OG1 3.26Å; P661-T664 WeakPolarHBondContact CA-OG1 3.41Å; P661-T664 PolarHBondContact O-OG1 2.93Å; T664-A666 VanDerWaalsContact C-N 3.33Å; T664-A666 PolarHBondContact O-N 3.35Å; T664-F667 PolarHBondContact O-N 3.46Å; T664-I668 WeakPolarHBondContact O-CG1 3.34Å; T664-I668 PolarHBondContact O-N 3.04Å; T664-V700 HydrophobicContact CG2-CG1 3.92Å; T664-D701 PolarHBondContact OG1-OD1 3.08Å; T664-D701 VanDerWaalsContact OG1-OD1 3.12Å; T664-C704 HydrophobicContact CG2-CB 4.42Å
665G95.4Very high93.3Very high0 Ų042.1 Ų42.10%021%0.212CC..Hα-helixtrans-56.5-41.9172.400000113.4P661 V662 I663 I668 V669P661-G665 PolarHBondContact O-N 3.03Å; V662-G665 PolarHBondContact O-N 3.39Å; I663-G665 VanDerWaalsContact C-N 3.31Å; I663-G665 PolarHBondContact O-N 3.29Å; G665-I668 PolarHBondContact O-N 2.88Å; G665-V669 VanDerWaalsContact O-CG2 3.22Å; G665-V669 WeakPolarHBondContact O-CG2 3.34Å; G665-V669 PolarHBondContact O-N 3.35Å
666A96.5Very high93.6Very high43 Ų4339.3 Ų39.336%0.35520%0.2SC..Hα-helixtrans-67.1-42177.800000112.5L636 V662 I663 T664 I668 V669 Y670L636-A666 HydrophobicContact CD2-CB 4.26Å; V662-A666 PolarHBondContact O-N 2.93Å; I663-A666 WeakPolarHBondContact O-CB 3.26Å; I663-A666 PolarHBondContact O-N 2.86Å; I663-A666 VanDerWaalsContact O-N 3.09Å; T664-A666 VanDerWaalsContact C-N 3.33Å; T664-A666 PolarHBondContact O-N 3.35Å; A666-I668 VanDerWaalsContact C-N 3.33Å; A666-I668 PolarHBondContact O-N 2.89Å; A666-V669 PolarHBondContact O-N 2.06Å; A666-Y670 WeakPolarHBondContact O-CB 3.12Å; A666-Y670 PolarHBondContact O-N 3.3Å
667F97.2Very high93.8Very high117 Ų11739.4 Ų39.451%0.51319%0.194SC..Hα-helixtrans-63.9-38.1174.9-80.4-71.5000112.5I663 T664 Y670 N671 L697I663-F667 HydrophobicContact CG2-CD2 3.88Å; I663-F667 HydrophobicContact CG2-CE2 3.66Å; I663-F667 VanDerWaalsContact O-CD2 3.27Å; I663-F667 WeakPolarHBondContact O-CD2 3.49Å; I663-F667 PolarHBondContact O-N 3.27Å; T664-F667 PolarHBondContact O-N 3.46Å; F667-Y670 PolarHBondContact O-N 3.19Å; F667-N671 PolarHBondContact O-N 2.89Å; F667-N671 PolarHBondContact O-ND2 3.46Å; F667-L697 HydrophobicContact CB-CD1 3.95Å; F667-L697 HydrophobicContact CB-CD2 4.3Å
668I97.2Very high93.9Very high0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-62.2-50.5174-74.1172.6000110.3T664 G665 A666 Y670 N671 Q672 L697 D701 I745T664-I668 WeakPolarHBondContact O-CG1 3.34Å; T664-I668 PolarHBondContact O-N 3.04Å; G665-I668 PolarHBondContact O-N 2.88Å; A666-I668 VanDerWaalsContact C-N 3.33Å; A666-I668 PolarHBondContact O-N 2.89Å; I668-Y670 VanDerWaalsContact C-N 3.27Å; I668-Y670 PolarHBondContact O-N 3.28Å; I668-N671 PolarHBondContact O-N 2.72Å; I668-Q672 HydrophobicContact CG2-CG 4.1Å; I668-Q672 VanDerWaalsContact O-CB 3.3Å; I668-Q672 WeakPolarHBondContact O-CB 3.4Å; I668-Q672 WeakPolarHBondContact O-CG 3.45Å; I668-Q672 PolarHBondContact O-N 2.93Å; I668-L697 HydrophobicContact CD1-CB 4.29Å; I668-L697 HydrophobicContact CG1-CB 3.6Å; I668-L697 HydrophobicContact CG1-CD1 4.26Å; I668-D701 HydrophobicContact CD1-CB 3.66Å; I668-I745 HydrophobicContact CG2-CG2 3.38Å
669V97.1Very high93.8Very high13 Ų1338.1 Ų38.18%0.07919%0.192CC..Hα-helixtrans-55.8-46178.9169.60000110.6W632 F635 L636 G665 A666 Q672 L673W632-V669 HydrophobicContact CB-CG1 3.8Å; W632-V669 HydrophobicContact CB-CG2 4.3Å; W632-V669 HydrophobicContact CD2-CG1 4.26Å; W632-V669 HydrophobicContact CD2-CG2 3.91Å; W632-V669 HydrophobicContact CE3-CB 4.49Å; W632-V669 HydrophobicContact CE3-CG2 3.47Å; W632-V669 VanDerWaalsContact CE3-CG2 3.47Å; W632-V669 HydrophobicContact CG-CG1 3.93Å; W632-V669 HydrophobicContact CG-CG2 4.3Å; W632-V669 HydrophobicContact CZ3-CG2 4.02Å; F635-V669 HydrophobicContact CD1-CG2 3.94Å; F635-V669 HydrophobicContact CE1-CG2 4.03Å; L636-V669 HydrophobicContact CD1-CG2 4.24Å; L636-V669 HydrophobicContact CD2-CG2 4.08Å; L636-V669 HydrophobicContact CG-CG2 4.12Å; G665-V669 VanDerWaalsContact O-CG2 3.22Å; G665-V669 WeakPolarHBondContact O-CG2 3.34Å; G665-V669 PolarHBondContact O-N 3.35Å; A666-V669 PolarHBondContact O-N 2.06Å; V669-Q672 PolarHBondContact O-N 3.38Å; V669-L673 HydrophobicContact CG1-CD1 4.06Å; V669-L673 WeakPolarHBondContact O-CG 3.3Å; V669-L673 PolarHBondContact O-N 2.94Å
670Y97.3Very high93.4Very high137 Ų13738 Ų3854%0.53720%0.201SC..Hα-helixtrans-59.1-51.3178.6177.9-103.2000112.3A666 F667 I668 Q672 L673 L674A666-Y670 WeakPolarHBondContact O-CB 3.12Å; A666-Y670 PolarHBondContact O-N 3.3Å; F667-Y670 PolarHBondContact O-N 3.19Å; I668-Y670 VanDerWaalsContact C-N 3.27Å; I668-Y670 PolarHBondContact O-N 3.28Å; Y670-Q672 PolarHBondContact O-N 2.93Å; Y670-L673 PolarHBondContact O-N 3.22Å; Y670-L674 HydrophobicContact CD1-CD1 3.99Å; Y670-L674 HydrophobicContact CE1-CD1 3.37Å; Y670-L674 HydrophobicContact CE1-CG 4.12Å; Y670-L674 PolarHBondContact O-N 3.35Å
671N97Very high92.8Very high16 Ų1641.7 Ų41.79%0.08622%0.218CC..Hα-helixtrans-71.6-28.7-179.1-74.8-87000113.2F667 I668 Y675 I693 V694 L697F667-N671 PolarHBondContact O-N 2.89Å; F667-N671 PolarHBondContact O-ND2 3.46Å; I668-N671 PolarHBondContact O-N 2.72Å; N671-Y675 WeakPolarHBondContact O-CB 3.31Å; N671-Y675 PolarHBondContact O-N 3.46Å; N671-I693 HydrophobicContact CB-CG2 4.35Å; N671-I693 WeakPolarHBondContact OD1-CG2 3.25Å; N671-V694 HydrophobicContact CB-CG2 3.57Å; N671-L697 HydrophobicContact CB-CD1 4.49Å
672Q96Very high91.7Very high2 Ų246.4 Ų46.41%0.00924%0.236CC..Hα-helixtrans-63.2-43.7170.3-77.4-85.711.400111W632 I668 V669 Y670 Y675 R676 V694 I745 L749W632-Q672 HydrophobicContact CH2-CG 4.15Å; W632-Q672 HydrophobicContact CZ2-CB 3.92Å; W632-Q672 HydrophobicContact CZ2-CG 3.94Å; I668-Q672 HydrophobicContact CG2-CG 4.1Å; I668-Q672 VanDerWaalsContact O-CB 3.3Å; I668-Q672 WeakPolarHBondContact O-CB 3.4Å; I668-Q672 WeakPolarHBondContact O-CG 3.45Å; I668-Q672 PolarHBondContact O-N 2.93Å; V669-Q672 PolarHBondContact O-N 3.38Å; Y670-Q672 PolarHBondContact O-N 2.93Å; Q672-Y675 PolarHBondContact O-N 3.08Å; Q672-R676 WeakPolarHBondContact O-CG 3.39Å; Q672-R676 PolarHBondContact O-N 3.48Å; Q672-R676 VanDerWaalsContact O-N 3.11Å; Q672-V694 HydrophobicContact CG-CG1 4.14Å; Q672-V694 HydrophobicContact CG-CG2 4.05Å; Q672-I745 PolarHBondContact NE2-O 3.45Å; Q672-L749 VanDerWaalsContact NE2-CB 3.29Å
673L95.7Very high90.9Very high33 Ų3349.7 Ų49.717%0.17325%0.249CC..Hα-helixtrans-66.1-43.6176.2-69.9169.6000111.5L629 V669 Y670 Y675 R676 I677L629-L673 HydrophobicContact CD2-CD1 3.91Å; L629-L673 HydrophobicContact CD2-CD2 4.01Å; V669-L673 HydrophobicContact CG1-CD1 4.06Å; V669-L673 WeakPolarHBondContact O-CG 3.3Å; V669-L673 PolarHBondContact O-N 2.94Å; Y670-L673 PolarHBondContact O-N 3.22Å; L673-Y675 VanDerWaalsContact C-N 3.33Å; L673-Y675 PolarHBondContact O-N 3.33Å; L673-R676 PolarHBondContact O-N 2.76Å; L673-R676 VanDerWaalsContact O-N 3.14Å; L673-I677 WeakPolarHBondContact O-CG1 3.24Å; L673-I677 PolarHBondContact O-N 3.36Å
674L94.8Very high90Very high59 Ų5947.8 Ų47.831%0.30924%0.238SC..Hα-helixtrans-57.4-45.3173.6-72.9-178.4000112Y670 R676 I677 A678Y670-L674 HydrophobicContact CD1-CD1 3.99Å; Y670-L674 HydrophobicContact CE1-CD1 3.37Å; Y670-L674 HydrophobicContact CE1-CG 4.12Å; Y670-L674 PolarHBondContact O-N 3.35Å; L674-R676 VanDerWaalsContact C-N 3.3Å; L674-R676 PolarHBondContact O-N 3.17Å; L674-I677 PolarHBondContact O-N 3.33Å; L674-A678 WeakPolarHBondContact O-CB 3.43Å; L674-A678 PolarHBondContact O-N 2.96Å
675Y93.5Very high89.5Confident24 Ų2451.5 Ų51.59%0.09426%0.255CS..Hα-helixtrans-55.9-44.9175168.7-117.5000111.9N671 Q672 L673 V679 A687 A691 L749 V828N671-Y675 WeakPolarHBondContact O-CB 3.31Å; N671-Y675 PolarHBondContact O-N 3.46Å; Q672-Y675 PolarHBondContact O-N 3.08Å; L673-Y675 VanDerWaalsContact C-N 3.33Å; L673-Y675 PolarHBondContact O-N 3.33Å; Y675-V679 HydrophobicContact CD2-CG2 4.01Å; Y675-V679 HydrophobicContact CE2-CG2 3.55Å; Y675-V679 WeakPolarHBondContact O-CB 3.12Å; Y675-V679 VanDerWaalsContact O-CG2 3.25Å; Y675-V679 WeakPolarHBondContact O-CG2 3.22Å; Y675-V679 PolarHBondContact O-N 2.94Å; Y675-A687 HydrophobicContact CD2-CB 4.01Å; Y675-A687 VanDerWaalsContact CD2-O 3.26Å; Y675-A687 WeakPolarHBondContact CD2-O 3.3Å; Y675-A687 HydrophobicContact CE2-CB 4.11Å; Y675-A691 HydrophobicContact CD2-CB 4.12Å; Y675-A691 HydrophobicContact CE2-CB 4.23Å; Y675-L749 HydrophobicContact CD1-CD1 3.61Å; Y675-L749 HydrophobicContact CE1-CD1 3.86Å; Y675-L749 HydrophobicContact CG-CD1 4.16Å; Y675-V828 HydrophobicContact CE1-CG1 4.33Å; Y675-V828 HydrophobicContact CE2-CG1 4.38Å
676R91.8Very high89.1Confident19 Ų1955 Ų557%0.07227%0.274CS..Hα-helixtrans-69.9-35.1179.3-60.8-49.9177.8177.3-0.3113.2W625 Q672 L673 L674 S680 C748 L749 G751W625-R676 HydrophobicContact CH2-CB 3.67Å; W625-R676 HydrophobicContact CZ3-CB 4.11Å; Q672-R676 WeakPolarHBondContact O-CG 3.39Å; Q672-R676 PolarHBondContact O-N 3.48Å; Q672-R676 VanDerWaalsContact O-N 3.11Å; L673-R676 PolarHBondContact O-N 2.76Å; L673-R676 VanDerWaalsContact O-N 3.14Å; L674-R676 VanDerWaalsContact C-N 3.3Å; L674-R676 PolarHBondContact O-N 3.17Å; R676-S680 WeakPolarHBondContact O-CB 3.23Å; R676-S680 PolarHBondContact O-N 3.37Å; R676-C748 PolarHBondContact NH2-O 3.28Å; R676-L749 PolarHBondContact NH2-O 3.08Å; R676-G751 VanDerWaalsContact CZ-O 3.27Å; R676-G751 PolarHBondContact NH1-O 2.97Å; R676-G751 PolarHBondContact NH2-O 3.49Å
677I91.5Very high88.8Confident75 Ų7553.5 Ų53.539%0.38526%0.261SS..Hα-helixtrans-65.8-51.4175.2-68.4165.9000109.4W625 L673 L674 V679 S680 D681W625-I677 HydrophobicContact CH2-CG1 4.02Å; W625-I677 HydrophobicContact CZ3-CG1 4.37Å; L673-I677 WeakPolarHBondContact O-CG1 3.24Å; L673-I677 PolarHBondContact O-N 3.36Å; L674-I677 PolarHBondContact O-N 3.33Å; I677-V679 VanDerWaalsContact C-N 3.28Å; I677-V679 PolarHBondContact O-N 3.11Å; I677-S680 CarbonylContact O-C 3.53Å; I677-S680 WeakPolarHBondContact O-CA 3.49Å; I677-S680 VanDerWaalsContact O-CB 3.32Å; I677-S680 WeakPolarHBondContact O-CB 3.29Å; I677-S680 PolarHBondContact O-N 3.22Å; I677-D681 WeakPolarHBondContact CG2-OD2 3.22Å; I677-D681 PolarHBondContact O-N 3.22Å
678A88.2Confident88.4Confident4 Ų448.4 Ų48.43%0.03324%0.239CC..Hα-helixtrans-58.3-39.3177.800000112.5L674 S680 D681 Y682 E683 D686 A687L674-A678 WeakPolarHBondContact O-CB 3.43Å; L674-A678 PolarHBondContact O-N 2.96Å; A678-S680 VanDerWaalsContact C-N 3.34Å; A678-D681 PolarHBondContact O-N 3.01Å; A678-Y682 PolarHBondContact O-N 2.67Å; A678-Y682 VanDerWaalsContact O-N 3.14Å; A678-E683 HydrophobicContact CB-CB 4.25Å; A678-E683 PolarHBondContact O-N 2.9Å; A678-D686 HydrophobicContact CB-CB 3.99Å; A678-A687 HydrophobicContact CB-CB 3.89Å
679V83Confident88.2Confident34 Ų3454 Ų5421%0.20627%0.265CS..Hα-helixtrans-63-39.3172.4163.70000112.1N172 Y675 I677 A687N172-V679 WeakPolarHBondContact ND2-CG1 3.29Å; Y675-V679 HydrophobicContact CD2-CG2 4.01Å; Y675-V679 HydrophobicContact CE2-CG2 3.55Å; Y675-V679 WeakPolarHBondContact O-CB 3.12Å; Y675-V679 VanDerWaalsContact O-CG2 3.25Å; Y675-V679 WeakPolarHBondContact O-CG2 3.22Å; Y675-V679 PolarHBondContact O-N 2.94Å; I677-V679 VanDerWaalsContact C-N 3.28Å; I677-V679 PolarHBondContact O-N 3.11Å; V679-A687 HydrophobicContact CG2-CB 3.92Å
680S82.5Confident88.1Confident64 Ų6454 Ų5445%0.44827%0.266SS..Hα-helixtrans-70.6-33.3178.6-172.80000112.8R676 I677 A678 Y682R676-S680 WeakPolarHBondContact O-CB 3.23Å; R676-S680 PolarHBondContact O-N 3.37Å; I677-S680 CarbonylContact O-C 3.53Å; I677-S680 WeakPolarHBondContact O-CA 3.49Å; I677-S680 VanDerWaalsContact O-CB 3.32Å; I677-S680 WeakPolarHBondContact O-CB 3.29Å; I677-S680 PolarHBondContact O-N 3.22Å; A678-S680 VanDerWaalsContact C-N 3.34Å; S680-Y682 VanDerWaalsContact C-N 3.33Å
681D78.4Confident87.9Confident96 Ų9647.5 Ų47.551%0.51324%0.24SC..THydrogen-bonded Turntrans-913.6-178.5-65.6-25.2000112.8I677 A678 E683I677-D681 WeakPolarHBondContact CG2-OD2 3.22Å; I677-D681 PolarHBondContact O-N 3.22Å; A678-D681 PolarHBondContact O-N 3.01Å; D681-E683 HydrophobicContact CB-CG 4.25Å; D681-E683 PolarHBondContact O-N 3.35Å
682Y69.6Low87.8Confident99 Ų9952.1 Ų52.139%0.38826%0.256SS..THydrogen-bonded Turntrans61.326-177.1-53.7-93.2000113.9N172 F174 A678 S680 H684N172-Y682 WeakPolarHBondContact O-CD1 3.42Å; N172-Y682 WeakPolarHBondContact O-CE1 3.4Å; F174-Y682 HydrophobicContact CD2-CE1 4Å; F174-Y682 AromaticContact CE2-CE1 3.97Å; F174-Y682 HydrophobicContact CE2-CE1 3.97Å; F174-Y682 AromaticContact CE2-CZ 3.99Å; F174-Y682 WeakPolarHBondContact CE2-OH 3.5Å; F174-Y682 HydrophobicContact CG-CE1 4.41Å; F174-Y682 HydrophobicContact CZ-CE1 4.31Å; A678-Y682 PolarHBondContact O-N 2.67Å; A678-Y682 VanDerWaalsContact O-N 3.14Å; S680-Y682 VanDerWaalsContact C-N 3.33Å; Y682-H684 PolarHBondContact O-N 3.26Å
683E77.2Confident87.9Confident98 Ų9855 Ų5546%0.45827%0.271SS..  trans-85.286.3176.5-66.7-175.5161.800111A678 D681 E685 D686 A687A678-E683 HydrophobicContact CB-CB 4.25Å; A678-E683 PolarHBondContact O-N 2.9Å; D681-E683 HydrophobicContact CB-CG 4.25Å; D681-E683 PolarHBondContact O-N 3.35Å; E683-E685 PolarHBondContact O-N 3.46Å; E683-D686 HydrophobicContact CB-CB 4.2Å; E683-D686 PolarHBondContact O-N 3.16Å; E683-A687 WeakPolarHBondContact O-CB 3.34Å; E683-A687 PolarHBondContact O-N 3.38Å; E683-A687 VanDerWaalsContact O-N 3.07Å
684H73.3Confident87.9Confident57 Ų5753.4 Ų53.426%0.26426%0.263SS..Hα-helixtrans-60-47.1-170.6-60.1-56000114.4Y682 A687 I688Y682-H684 PolarHBondContact O-N 3.26Å; H684-A687 PolarHBondContact O-N 2.74Å; H684-I688 WeakPolarHBondContact O-CD1 3.48Å; H684-I688 VanDerWaalsContact O-CG1 3.3Å; H684-I688 WeakPolarHBondContact O-CG1 3.49Å; H684-I688 PolarHBondContact O-N 2.95Å; H684-I688 VanDerWaalsContact O-N 3.08Å
685E85.7Confident88Confident91 Ų9153.1 Ų53.143%0.42526%0.258SS..Hα-helixtrans-68.7-38.4-176.5-76.7-66.8178.700112.3E683 I688 Q689 R831E683-E685 PolarHBondContact O-N 3.46Å; E685-I688 PolarHBondContact O-N 3.21Å; E685-Q689 WeakPolarHBondContact O-CB 3.28Å; E685-Q689 PolarHBondContact O-N 2.98Å; E685-R831 IonicContact OE1-CZ 3.48Å; E685-R831 IonicContact OE1-NE 3.48Å; E685-R831 PolarHBondContact OE1-NE 3.49Å; E685-R831 IonicContact OE1-NH2 2.82Å; E685-R831 PolarHBondContact OE1-NH2 3.45Å; E685-R831 IonicContact OE2-CZ 3.87Å; E685-R831 IonicContact OE2-NE 3.19Å; E685-R831 PolarHBondContact OE2-NE 3.28Å; E685-R831 IonicContact OE2-NH2 2.68Å; E685-R831 PolarHBondContact OE2-NH2 3.38Å
686D88.4Confident88.2Confident75 Ų7558.4 Ų58.440%0.40128%0.282SS..Hα-helixtrans-68.5-37.6177.5-66.1-55.7000111.9A678 E683 Q689 S690A678-D686 HydrophobicContact CB-CB 3.99Å; E683-D686 HydrophobicContact CB-CB 4.2Å; E683-D686 PolarHBondContact O-N 3.16Å; D686-Q689 PolarHBondContact O-N 3.34Å; D686-S690 WeakPolarHBondContact O-CB 3.4Å; D686-S690 PolarHBondContact O-N 3.48Å; D686-S690 PolarHBondContact O-OG 3.48Å
687A88.5Confident88.4Confident10 Ų1058.6 Ų58.68%0.08328%0.284CS..Hα-helixtrans-62.2-46.217300000111.4Y675 A678 V679 E683 H684 S690 A691Y675-A687 HydrophobicContact CD2-CB 4.01Å; Y675-A687 VanDerWaalsContact CD2-O 3.26Å; Y675-A687 WeakPolarHBondContact CD2-O 3.3Å; Y675-A687 HydrophobicContact CE2-CB 4.11Å; A678-A687 HydrophobicContact CB-CB 3.89Å; V679-A687 HydrophobicContact CG2-CB 3.92Å; E683-A687 WeakPolarHBondContact O-CB 3.34Å; E683-A687 PolarHBondContact O-N 3.38Å; E683-A687 VanDerWaalsContact O-N 3.07Å; H684-A687 PolarHBondContact O-N 2.74Å; A687-S690 PolarHBondContact O-N 3.4Å; A687-A691 WeakPolarHBondContact O-CB 3.22Å; A687-A691 PolarHBondContact O-N 3.42Å
688I89.7Confident88.7Confident10 Ų1055.5 Ų55.55%0.05127%0.269CS..Hα-helixtrans-63-46.8178.3-69.6159.6000111Y170 H684 E685 A691 R692 R831Y170-I688 HydrophobicContact CE1-CD1 4.05Å; H684-I688 WeakPolarHBondContact O-CD1 3.48Å; H684-I688 VanDerWaalsContact O-CG1 3.3Å; H684-I688 WeakPolarHBondContact O-CG1 3.49Å; H684-I688 PolarHBondContact O-N 2.95Å; H684-I688 VanDerWaalsContact O-N 3.08Å; E685-I688 PolarHBondContact O-N 3.21Å; I688-A691 PolarHBondContact O-N 3.38Å; I688-R692 VanDerWaalsContact CG2-CZ 3.5Å; I688-R692 WeakPolarHBondContact O-CG 3.48Å; I688-R692 PolarHBondContact O-N 3.04Å; I688-R831 HydrophobicContact CD1-CG 3.78Å; I688-R831 HydrophobicContact CG2-CG 4.27Å
689Q93.3Very high89Confident118 Ų11861.2 Ų61.255%0.55130%0.297SS*.Hα-helixtrans-62.8-45.5179.9-176.7169.5-0.200111.2E685 D686 A691 R692 I693E685-Q689 WeakPolarHBondContact O-CB 3.28Å; E685-Q689 PolarHBondContact O-N 2.98Å; D686-Q689 PolarHBondContact O-N 3.34Å; Q689-A691 PolarHBondContact O-N 3.01Å; Q689-R692 PolarHBondContact O-N 3.4Å; Q689-I693 HydrophobicContact CG-CD1 4Å; Q689-I693 VanDerWaalsContact O-CG1 3.3Å; Q689-I693 WeakPolarHBondContact O-CG1 3.39Å; Q689-I693 PolarHBondContact O-N 2.98Å
690S94.2Very high89.6Confident13 Ų1361.9 Ų61.99%0.09130%0.301CS..Hα-helixtrans-59.5-45.8177-62.40000111.6D686 A687 R692 I693 V694D686-S690 WeakPolarHBondContact O-CB 3.4Å; D686-S690 PolarHBondContact O-N 3.48Å; D686-S690 PolarHBondContact O-OG 3.48Å; A687-S690 PolarHBondContact O-N 3.4Å; S690-R692 PolarHBondContact O-N 3.02Å; S690-I693 PolarHBondContact O-N 2.85Å; S690-V694 WeakPolarHBondContact O-CG2 3.13Å; S690-V694 PolarHBondContact O-N 2.95Å
691A93.9Very high90.2Very high0 Ų058.8 Ų58.80%028%0.28CS..Hα-helixtrans-61.1-43.7177.100000112.5Y675 A687 I688 Q689 I693 V694 Y695 L749 V828Y675-A691 HydrophobicContact CD2-CB 4.12Å; Y675-A691 HydrophobicContact CE2-CB 4.23Å; A687-A691 WeakPolarHBondContact O-CB 3.22Å; A687-A691 PolarHBondContact O-N 3.42Å; I688-A691 PolarHBondContact O-N 3.38Å; Q689-A691 PolarHBondContact O-N 3.01Å; A691-I693 VanDerWaalsContact C-N 3.34Å; A691-I693 PolarHBondContact O-N 2.97Å; A691-V694 PolarHBondContact O-N 2.78Å; A691-V694 VanDerWaalsContact O-N 3.16Å; A691-Y695 WeakPolarHBondContact O-CD2 3.06Å; A691-Y695 PolarHBondContact O-N 3.1Å; A691-L749 HydrophobicContact CB-CD1 4.34Å; A691-V828 HydrophobicContact CB-CG1 3.85Å
692R95.6Very high91Very high113 Ų11355.9 Ų55.943%0.42627%0.269SS..Hα-helixtrans-60.7-41.2175.7-72.5174.2-177.2176.12.8112.6I688 Q689 S690 Y695 F696 G829I688-R692 VanDerWaalsContact CG2-CZ 3.5Å; I688-R692 WeakPolarHBondContact O-CG 3.48Å; I688-R692 PolarHBondContact O-N 3.04Å; Q689-R692 PolarHBondContact O-N 3.4Å; S690-R692 PolarHBondContact O-N 3.02Å; R692-Y695 PolarHBondContact O-N 3.13Å; R692-F696 PolarHBondContact O-N 3.47Å; R692-F696 VanDerWaalsContact O-N 3.13Å; R692-G829 PolarHBondContact NE-O 2.99Å; R692-G829 PolarHBondContact NH2-O 3.42Å
693I96.8Very high92.1Very high62 Ų6257 Ų5732%0.31828%0.276SS..Hα-helixtrans-63-43.6174.6-67.1165.4000110.1N671 Q689 S690 A691 Y695 F696 L697N671-I693 HydrophobicContact CB-CG2 4.35Å; N671-I693 WeakPolarHBondContact OD1-CG2 3.25Å; Q689-I693 HydrophobicContact CG-CD1 4Å; Q689-I693 VanDerWaalsContact O-CG1 3.3Å; Q689-I693 WeakPolarHBondContact O-CG1 3.39Å; Q689-I693 PolarHBondContact O-N 2.98Å; S690-I693 PolarHBondContact O-N 2.85Å; A691-I693 VanDerWaalsContact C-N 3.34Å; A691-I693 PolarHBondContact O-N 2.97Å; I693-Y695 PolarHBondContact O-N 3.32Å; I693-F696 PolarHBondContact O-N 3.26Å; I693-L697 HydrophobicContact CG2-CD1 3.75Å; I693-L697 HydrophobicContact CG2-CG 4.08Å; I693-L697 WeakPolarHBondContact O-CB 3.2Å; I693-L697 VanDerWaalsContact O-CG 3.27Å; I693-L697 WeakPolarHBondContact O-CG 3.41Å; I693-L697 PolarHBondContact O-N 3.2Å
694V96.8Very high92.9Very high0 Ų053.2 Ų53.20%026%0.261CS..Hα-helixtrans-61.2-42.5176.9176.50000111.8N671 Q672 S690 A691 F696 L697 C698 L749N671-V694 HydrophobicContact CB-CG2 3.57Å; Q672-V694 HydrophobicContact CG-CG1 4.14Å; Q672-V694 HydrophobicContact CG-CG2 4.05Å; S690-V694 WeakPolarHBondContact O-CG2 3.13Å; S690-V694 PolarHBondContact O-N 2.95Å; A691-V694 PolarHBondContact O-N 2.78Å; A691-V694 VanDerWaalsContact O-N 3.16Å; V694-F696 PolarHBondContact O-N 3.4Å; V694-L697 PolarHBondContact O-N 3.48Å; V694-C698 PolarHBondContact O-N 3.23Å; V694-C698 PolarHBondContact O-SG 2.95Å; V694-L749 HydrophobicContact CB-CD1 4.26Å; V694-L749 HydrophobicContact CB-CD2 3.99Å; V694-L749 HydrophobicContact CG1-CB 4.39Å; V694-L749 HydrophobicContact CG1-CD1 4.21Å; V694-L749 HydrophobicContact CG1-CD2 3.8Å; V694-L749 HydrophobicContact CG1-CG 4.35Å; V694-L749 HydrophobicContact CG2-CD1 4.44Å
695Y96.6Very high93.9Very high53 Ų5350.5 Ų50.521%0.20825%0.248CC..Hα-helixtrans-57.8-48175.1-73.6-63000111.8A691 R692 I693 C698 I699 L746 L749 L750 V828A691-Y695 WeakPolarHBondContact O-CD2 3.06Å; A691-Y695 PolarHBondContact O-N 3.1Å; R692-Y695 PolarHBondContact O-N 3.13Å; I693-Y695 PolarHBondContact O-N 3.32Å; Y695-C698 WeakPolarHBondContact O-CB 3.5Å; Y695-C698 PolarHBondContact O-N 3.12Å; Y695-I699 PolarHBondContact O-N 3.42Å; Y695-L746 HydrophobicContact CD1-CD1 3.65Å; Y695-L746 HydrophobicContact CE1-CD1 3.63Å; Y695-L749 HydrophobicContact CD1-CD2 4.16Å; Y695-L749 HydrophobicContact CD2-CD2 4.26Å; Y695-L749 HydrophobicContact CE1-CD2 3.92Å; Y695-L749 HydrophobicContact CE2-CD2 4.03Å; Y695-L749 HydrophobicContact CG-CD2 4.32Å; Y695-L750 HydrophobicContact CE1-CD2 4.28Å; Y695-L750 WeakPolarHBondContact OH-CD2 3.29Å; Y695-V828 VanDerWaalsContact CE2-O 3.27Å; Y695-V828 WeakPolarHBondContact CE2-O 3.37Å; Y695-V828 PolarHBondContact OH-O 3.2Å
696F97Very high94.1Very high136 Ų13652.8 Ų52.860%0.59625%0.254SS*.Hα-helixtrans-60.3-46.5176.3174.8-102.1000111.6R692 I693 V694 C698 I699 V700R692-F696 PolarHBondContact O-N 3.47Å; R692-F696 VanDerWaalsContact O-N 3.13Å; I693-F696 PolarHBondContact O-N 3.26Å; V694-F696 PolarHBondContact O-N 3.4Å; F696-C698 VanDerWaalsContact C-N 3.29Å; F696-C698 PolarHBondContact O-N 2.89Å; F696-I699 WeakPolarHBondContact O-CB 3.2Å; F696-I699 PolarHBondContact O-N 3.02Å; F696-I699 VanDerWaalsContact O-N 3.14Å; F696-V700 HydrophobicContact CD1-CG2 4.3Å; F696-V700 HydrophobicContact CE1-CG2 3.86Å; F696-V700 HydrophobicContact CE2-CG2 4.35Å; F696-V700 HydrophobicContact CZ-CG2 3.88Å; F696-V700 WeakPolarHBondContact O-CG2 3.21Å; F696-V700 PolarHBondContact O-N 2.98Å; F696-V700 VanDerWaalsContact O-N 3.11Å
697L97Very high94.2Very high23 Ų2353.1 Ų53.112%0.1225%0.252CS..Hα-helixtrans-63.4-32.8178.3-71.2175.6000112.7F667 I668 N671 I693 V694 V700 D701F667-L697 HydrophobicContact CB-CD1 3.95Å; F667-L697 HydrophobicContact CB-CD2 4.3Å; I668-L697 HydrophobicContact CD1-CB 4.29Å; I668-L697 HydrophobicContact CG1-CB 3.6Å; I668-L697 HydrophobicContact CG1-CD1 4.26Å; N671-L697 HydrophobicContact CB-CD1 4.49Å; I693-L697 HydrophobicContact CG2-CD1 3.75Å; I693-L697 HydrophobicContact CG2-CG 4.08Å; I693-L697 WeakPolarHBondContact O-CB 3.2Å; I693-L697 VanDerWaalsContact O-CG 3.27Å; I693-L697 WeakPolarHBondContact O-CG 3.41Å; I693-L697 PolarHBondContact O-N 3.2Å; V694-L697 PolarHBondContact O-N 3.48Å; L697-V700 PolarHBondContact O-N 3.26Å; L697-D701 VanDerWaalsContact O-CB 3.29Å; L697-D701 WeakPolarHBondContact O-CB 3.25Å; L697-D701 PolarHBondContact O-N 3.23Å
698C96.3Very high94.2Very high9 Ų952.7 Ų52.76%0.06125%0.248CC..Hα-helixtrans-63.3-41.6173.7-72.10000111.4V694 Y695 F696 V700 D701 A702 T742V694-C698 PolarHBondContact O-N 3.23Å; V694-C698 PolarHBondContact O-SG 2.95Å; Y695-C698 WeakPolarHBondContact O-CB 3.5Å; Y695-C698 PolarHBondContact O-N 3.12Å; F696-C698 VanDerWaalsContact C-N 3.29Å; F696-C698 PolarHBondContact O-N 2.89Å; C698-V700 VanDerWaalsContact C-N 3.34Å; C698-V700 PolarHBondContact O-N 3.12Å; C698-D701 PolarHBondContact O-N 3.2Å; C698-A702 WeakPolarHBondContact O-CB 3.22Å; C698-A702 PolarHBondContact O-N 2.9Å; C698-T742 HydrophobicContact CB-CG2 3.72Å; C698-T742 WeakPolarHBondContact O-CG2 3.37Å
699I95.2Very high94Very high124 Ų12454.2 Ų54.264%0.63625%0.253SS*.Hα-helixtrans-62.2-45.1175.6-62.8169.2000110.3Y695 F696 A702 F703Y695-I699 PolarHBondContact O-N 3.42Å; F696-I699 WeakPolarHBondContact O-CB 3.2Å; F696-I699 PolarHBondContact O-N 3.02Å; F696-I699 VanDerWaalsContact O-N 3.14Å; I699-A702 PolarHBondContact O-N 2.92Å; I699-F703 PolarHBondContact O-N 3.46Å; I699-F703 VanDerWaalsContact O-N 3.14Å
700V95.8Very high93.6Very high48 Ų4850.4 Ų50.429%0.29124%0.239SC..Hα-helixtrans-61.9-44.8176.6177.60000111.1T664 F696 L697 C698 F703 C704T664-V700 HydrophobicContact CG2-CG1 3.92Å; F696-V700 HydrophobicContact CD1-CG2 4.3Å; F696-V700 HydrophobicContact CE1-CG2 3.86Å; F696-V700 HydrophobicContact CE2-CG2 4.35Å; F696-V700 HydrophobicContact CZ-CG2 3.88Å; F696-V700 WeakPolarHBondContact O-CG2 3.21Å; F696-V700 PolarHBondContact O-N 2.98Å; F696-V700 VanDerWaalsContact O-N 3.11Å; L697-V700 PolarHBondContact O-N 3.26Å; C698-V700 VanDerWaalsContact C-N 3.34Å; C698-V700 PolarHBondContact O-N 3.12Å; V700-F703 PolarHBondContact O-N 2.93Å; V700-C704 WeakPolarHBondContact O-CB 3.37Å; V700-C704 PolarHBondContact O-N 3.09Å; V700-C704 PolarHBondContact O-SG 2.94Å
701D95.8Very high93.1Very high0 Ų050.7 Ų50.70%024%0.24CC..Hα-helixtrans-60.9-46178.1-179.662.7000112.1R639 T664 I668 L697 C698 F703 C704 L705 T742R639-D701 IonicContact CZ-OD1 3.52Å; R639-D701 IonicContact CZ-OD2 2.98Å; R639-D701 IonicContact NH1-OD1 2.74Å; R639-D701 PolarHBondContact NH1-OD1 3.4Å; R639-D701 IonicContact NH1-OD2 2.86Å; R639-D701 IonicContact NH2-OD1 3.77Å; R639-D701 PolarHBondContact NH2-OD1 2.79Å; R639-D701 IonicContact NH2-OD2 2.66Å; R639-D701 PolarHBondContact NH2-OD2 3.47Å; T664-D701 PolarHBondContact OG1-OD1 3.08Å; T664-D701 VanDerWaalsContact OG1-OD1 3.12Å; I668-D701 HydrophobicContact CD1-CB 3.66Å; L697-D701 VanDerWaalsContact O-CB 3.29Å; L697-D701 WeakPolarHBondContact O-CB 3.25Å; L697-D701 PolarHBondContact O-N 3.23Å; C698-D701 PolarHBondContact O-N 3.2Å; D701-F703 VanDerWaalsContact C-N 3.29Å; D701-F703 PolarHBondContact O-N 2.98Å; D701-C704 PolarHBondContact O-N 3.32Å; D701-L705 WeakPolarHBondContact O-CB 3.48Å; D701-L705 WeakPolarHBondContact O-CG 3.11Å; D701-L705 PolarHBondContact O-N 3.4Å; D701-L705 WeakPolarHBondContact OD2-CD1 3.13Å; D701-T742 HydrophobicContact CB-CG2 4.34Å; D701-T742 PolarHBondContact OD2-OG1 3.19Å
702A94Very high92.6Very high34 Ų3451 Ų5128%0.28124%0.241SC..Hα-helixtrans-58.3-42.7176.400000111.5C698 I699 Y706 T742C698-A702 WeakPolarHBondContact O-CB 3.22Å; C698-A702 PolarHBondContact O-N 2.9Å; I699-A702 PolarHBondContact O-N 2.92Å; A702-Y706 WeakPolarHBondContact O-CB 3.28Å; A702-Y706 PolarHBondContact O-N 2.84Å; A702-T742 HydrophobicContact CB-CG2 4.19Å
703F93.9Very high91.7Very high123 Ų12349.3 Ų49.354%0.53924%0.24SC..Hα-helixtrans-65.6-44.6175.5-178.9-98000112.4I699 V700 D701 L705 Y706 K707I699-F703 PolarHBondContact O-N 3.46Å; I699-F703 VanDerWaalsContact O-N 3.14Å; V700-F703 PolarHBondContact O-N 2.93Å; D701-F703 VanDerWaalsContact C-N 3.29Å; D701-F703 PolarHBondContact O-N 2.98Å; F703-L705 PolarHBondContact O-N 3.08Å; F703-Y706 PolarHBondContact O-N 3.37Å; F703-K707 HydrophobicContact CD1-CG 4.26Å; F703-K707 HydrophobicContact CE1-CG 3.84Å; F703-K707 HydrophobicContact CE2-CG 4.31Å; F703-K707 HydrophobicContact CZ-CD 4.25Å; F703-K707 HydrophobicContact CZ-CG 3.89Å; F703-K707 WeakPolarHBondContact O-CG 3.4Å; F703-K707 PolarHBondContact O-N 3.22Å
704C94.1Very high90.6Very high19 Ų1951 Ų5113%0.12825%0.25CC..Hα-helixtrans-61-43.9176.4-73.80000111.9A660 P661 T664 V700 D701 K707 S708A660-C704 HydrophobicContact CB-CB 3.97Å; P661-C704 HydrophobicContact CG-CB 4.4Å; T664-C704 HydrophobicContact CG2-CB 4.42Å; V700-C704 WeakPolarHBondContact O-CB 3.37Å; V700-C704 PolarHBondContact O-N 3.09Å; V700-C704 PolarHBondContact O-SG 2.94Å; D701-C704 PolarHBondContact O-N 3.32Å; C704-K707 PolarHBondContact O-N 3.3Å; C704-S708 VanDerWaalsContact O-CB 3.23Å; C704-S708 WeakPolarHBondContact O-CB 3.29Å; C704-S708 PolarHBondContact O-N 3.17Å
705L92.5Very high89.4Confident0 Ų052.8 Ų52.80%026%0.257CS..Hα-helixtrans-63.2-41.5174.9-76.2164.1000111.7P661 D701 F703 S708 R709 I737 P739 S741 T742P661-L705 HydrophobicContact CB-CD2 3.66Å; P661-L705 HydrophobicContact CB-CG 4.08Å; P661-L705 HydrophobicContact CG-CD2 3.94Å; P661-L705 HydrophobicContact CG-CG 4.25Å; D701-L705 WeakPolarHBondContact O-CB 3.48Å; D701-L705 WeakPolarHBondContact O-CG 3.11Å; D701-L705 PolarHBondContact O-N 3.4Å; D701-L705 WeakPolarHBondContact OD2-CD1 3.13Å; F703-L705 PolarHBondContact O-N 3.08Å; L705-S708 PolarHBondContact O-N 3.33Å; L705-R709 VanDerWaalsContact O-CB 3.29Å; L705-R709 WeakPolarHBondContact O-CB 3.44Å; L705-R709 PolarHBondContact O-N 3.25Å; L705-I737 HydrophobicContact CD2-CB 4.09Å; L705-I737 WeakPolarHBondContact CD2-O 3.3Å; L705-P739 HydrophobicContact CB-CB 4.22Å; L705-P739 HydrophobicContact CB-CG 4.03Å; L705-S741 WeakPolarHBondContact CD1-OG 3.47Å; L705-T742 WeakPolarHBondContact CD1-OG1 3.12Å
706Y90.9Very high88.1Confident138 Ų13854.2 Ų54.254%0.54127%0.268SS..Hα-helixtrans-62.3-48.9177.3172.2-102.5000111.5A702 F703 R709 S710A702-Y706 WeakPolarHBondContact O-CB 3.28Å; A702-Y706 PolarHBondContact O-N 2.84Å; F703-Y706 PolarHBondContact O-N 3.37Å; Y706-R709 PolarHBondContact O-N 3.28Å; Y706-S710 PolarHBondContact O-N 3.48Å
707K90Very high86.2Confident83 Ų8350.1 Ų50.136%0.36126%0.259SS..Hα-helixtrans-62.4-46.6176.8-72.6-66.7-173.7-179.70111.8F703 C704 R709 S710 I711F703-K707 HydrophobicContact CD1-CG 4.26Å; F703-K707 HydrophobicContact CE1-CG 3.84Å; F703-K707 HydrophobicContact CE2-CG 4.31Å; F703-K707 HydrophobicContact CZ-CD 4.25Å; F703-K707 HydrophobicContact CZ-CG 3.89Å; F703-K707 WeakPolarHBondContact O-CG 3.4Å; F703-K707 PolarHBondContact O-N 3.22Å; C704-K707 PolarHBondContact O-N 3.3Å; K707-R709 VanDerWaalsContact C-N 3.26Å; K707-R709 PolarHBondContact O-N 2.93Å; K707-S710 PolarHBondContact O-N 3.01Å; K707-I711 WeakPolarHBondContact O-CG1 3.41Å; K707-I711 PolarHBondContact O-N 2.62Å
708S89.1Confident84Confident0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-56.3-42.5175.5179.90000111.3Y658 C704 L705 R712Y658-S708 PolarHBondContact O-OG 3.38Å; C704-S708 VanDerWaalsContact O-CB 3.23Å; C704-S708 WeakPolarHBondContact O-CB 3.29Å; C704-S708 PolarHBondContact O-N 3.17Å; L705-S708 PolarHBondContact O-N 3.33Å; S708-R712 WeakPolarHBondContact O-CG 3.44Å; S708-R712 PolarHBondContact O-N 2.93Å; S708-R712 PolarHBondContact O-NH1 2.88Å; S708-R712 PolarHBondContact OG-NH1 2.71Å
709R86.1Confident81.8Confident43 Ų4361.8 Ų61.816%0.16231%0.309CS..Hα-helixtrans-66.3-45175.9-177.9177-179.874.60.3112.8L705 Y706 K707 I711 R712 L713 D734L705-R709 VanDerWaalsContact O-CB 3.29Å; L705-R709 WeakPolarHBondContact O-CB 3.44Å; L705-R709 PolarHBondContact O-N 3.25Å; Y706-R709 PolarHBondContact O-N 3.28Å; K707-R709 VanDerWaalsContact C-N 3.26Å; K707-R709 PolarHBondContact O-N 2.93Å; R709-I711 VanDerWaalsContact C-N 3.32Å; R709-I711 PolarHBondContact O-N 2.73Å; R709-R712 WeakPolarHBondContact O-CB 3.11Å; R709-R712 PolarHBondContact O-N 3.47Å; R709-R712 VanDerWaalsContact O-N 3.14Å; R709-L713 HydrophobicContact CG-CD1 3.99Å; R709-L713 HydrophobicContact CG-CG 4.26Å; R709-L713 WeakPolarHBondContact O-CG 3.13Å; R709-L713 PolarHBondContact O-N 2.9Å; R709-D734 IonicContact CZ-OD2 3.53Å; R709-D734 VanDerWaalsContact NH1-CG 3.28Å; R709-D734 IonicContact NH1-OD1 3.2Å; R709-D734 PolarHBondContact NH1-OD1 2.97Å; R709-D734 IonicContact NH1-OD2 3.45Å; R709-D734 PolarHBondContact NH1-OD2 2.98Å; R709-D734 IonicContact NH2-OD2 2.68Å
710S84.6Confident79Confident38 Ų3860.7 Ų60.727%0.26630%0.304SS..Hα-helixtrans-57.4-44.1178.4176.80000111.8Y706 K707 R712 L713 N714Y706-S710 PolarHBondContact O-N 3.48Å; K707-S710 PolarHBondContact O-N 3.01Å; S710-R712 PolarHBondContact O-N 2.82Å; S710-L713 PolarHBondContact O-N 2.94Å; S710-N714 WeakPolarHBondContact O-CB 3.19Å; S710-N714 PolarHBondContact O-N 3.34Å
711I82.6Confident76.3Confident19 Ų1968 Ų6810%0.09733%0.332CS..Hα-helixtrans-60.5-44.2175.6-63164.2000111.2Q657 K707 R709 K715Q657-I711 HydrophobicContact CB-CD1 3.77Å; K707-I711 WeakPolarHBondContact O-CG1 3.41Å; K707-I711 PolarHBondContact O-N 2.62Å; R709-I711 VanDerWaalsContact C-N 3.32Å; R709-I711 PolarHBondContact O-N 2.73Å; I711-K715 HydrophobicContact CG2-CD 4.33Å; I711-K715 WeakPolarHBondContact O-CG 3.19Å; I711-K715 PolarHBondContact O-N 3.47Å
712R83Confident73.2Confident6 Ų670.8 Ų70.82%0.02336%0.362CS..Hα-helixtrans-61.2-49.1176.8-69.7-167.6-57.4-82.412111.5Y658 S708 R709 S710 K715 I716 D734 I737Y658-R712 HydrophobicContact CD2-CG 4.37Å; Y658-R712 HydrophobicContact CE2-CG 3.67Å; S708-R712 WeakPolarHBondContact O-CG 3.44Å; S708-R712 PolarHBondContact O-N 2.93Å; S708-R712 PolarHBondContact O-NH1 2.88Å; S708-R712 PolarHBondContact OG-NH1 2.71Å; R709-R712 WeakPolarHBondContact O-CB 3.11Å; R709-R712 PolarHBondContact O-N 3.47Å; R709-R712 VanDerWaalsContact O-N 3.14Å; S710-R712 PolarHBondContact O-N 2.82Å; R712-K715 PolarHBondContact O-N 2.94Å; R712-I716 WeakPolarHBondContact O-CB 3.45Å; R712-I716 WeakPolarHBondContact O-CG1 3.4Å; R712-I716 PolarHBondContact O-N 3.32Å; R712-D734 IonicContact CZ-OD1 3.13Å; R712-D734 IonicContact NE-OD1 3.23Å; R712-D734 PolarHBondContact NE-OD1 3.03Å; R712-D734 VanDerWaalsContact NE-OD1 3.13Å; R712-D734 IonicContact NH2-OD1 2.72Å; R712-D734 PolarHBondContact NH2-OD1 2.9Å; R712-I737 VanDerWaalsContact NH1-CD1 3.29Å; R712-I737 PolarHBondContact NH2-O 3.46Å
713L77.2Confident70.1Confident78 Ų7876.6 Ų76.641%0.40838%0.383SS..Hα-helixtrans-63.6-43.9-177.5-71.2177.4000112.1R709 S710 K715 I716 A717R709-L713 HydrophobicContact CG-CD1 3.99Å; R709-L713 HydrophobicContact CG-CG 4.26Å; R709-L713 WeakPolarHBondContact O-CG 3.13Å; R709-L713 PolarHBondContact O-N 2.9Å; S710-L713 PolarHBondContact O-N 2.94Å; L713-K715 VanDerWaalsContact C-N 3.33Å; L713-K715 PolarHBondContact O-N 3.19Å; L713-I716 PolarHBondContact O-N 3.36Å; L713-A717 WeakPolarHBondContact O-CB 3.44Å; L713-A717 PolarHBondContact O-N 3.22Å
714N74.3Confident67.3Low98 Ų9877.5 Ų77.552%0.52440%0.399SS..Hα-helixtrans-60.5-42.2176.8-72.9-9.1000111.7S710 A717 N718S710-N714 WeakPolarHBondContact O-CB 3.19Å; S710-N714 PolarHBondContact O-N 3.34Å; N714-A717 PolarHBondContact O-N 3.49Å; N714-N718 PolarHBondContact O-N 3.21Å; N714-N718 PolarHBondContact O-ND2 3.08Å; N714-N718 PolarHBondContact O-OD1 2.98Å
715K72.1Confident64.6Low37 Ų3780.7 Ų80.716%0.16142%0.421CS..Hα-helixtrans-72.6-32.6178.4-71.4-177.5-179.9178.60113.2P648 N649 E654 I711 R712 L713 R719P648-K715 HydrophobicContact CB-CD 3.56Å; P648-K715 HydrophobicContact CG-CD 4.1Å; N649-K715 PolarHBondContact O-NZ 2.85Å; E654-K715 WeakPolarHBondContact OE1-CE 3.34Å; E654-K715 IonicContact OE1-NZ 2.76Å; E654-K715 PolarHBondContact OE1-NZ 3.19Å; E654-K715 IonicContact OE2-NZ 2.64Å; E654-K715 PolarHBondContact OE2-NZ 3.49Å; I711-K715 HydrophobicContact CG2-CD 4.33Å; I711-K715 WeakPolarHBondContact O-CG 3.19Å; I711-K715 PolarHBondContact O-N 3.47Å; R712-K715 PolarHBondContact O-N 2.94Å; L713-K715 VanDerWaalsContact C-N 3.33Å; L713-K715 PolarHBondContact O-N 3.19Å; K715-R719 WeakPolarHBondContact O-CG 3.43Å; K715-R719 PolarHBondContact O-N 3.2Å
716I68Low62.3Low83 Ų8383.3 Ų83.343%0.42644%0.443SS..Hα-helixtrans-68.4-44.6173.3-71.2166.4000110.3R712 L713 N718 R719 L720R712-I716 WeakPolarHBondContact O-CB 3.45Å; R712-I716 WeakPolarHBondContact O-CG1 3.4Å; R712-I716 PolarHBondContact O-N 3.32Å; L713-I716 PolarHBondContact O-N 3.36Å; I716-N718 VanDerWaalsContact C-N 3.3Å; I716-N718 PolarHBondContact O-N 3.24Å; I716-R719 PolarHBondContact O-N 2.92Å; I716-L720 HydrophobicContact CG2-CD1 3.5Å; I716-L720 HydrophobicContact CG2-CG 4.12Å; I716-L720 WeakPolarHBondContact O-CB 3.27Å; I716-L720 WeakPolarHBondContact O-CG 3.29Å; I716-L720 PolarHBondContact O-N 3.11Å
717A57.5Low60.6Low50 Ų5080.6 Ų80.641%0.41344%0.438SS..Hα-helixtrans-57.9-42.7175.300000111.6L713 N714 R719 L720L713-A717 WeakPolarHBondContact O-CB 3.44Å; L713-A717 PolarHBondContact O-N 3.22Å; N714-A717 PolarHBondContact O-N 3.49Å; A717-R719 VanDerWaalsContact C-N 3.29Å; A717-R719 PolarHBondContact O-N 3.11Å; A717-L720 PolarHBondContact O-N 3.27Å
718N51.2Low59Low122 Ų12278 Ų7865%0.65243%0.43SS*.Hα-helixtrans-66.7-25.4176.2-67.6-9000113.6N714 I716N714-N718 PolarHBondContact O-N 3.21Å; N714-N718 PolarHBondContact O-ND2 3.08Å; N714-N718 PolarHBondContact O-OD1 2.98Å; I716-N718 VanDerWaalsContact C-N 3.3Å; I716-N718 PolarHBondContact O-N 3.24Å
719R49.6Very low57.7Low154 Ų15480.1 Ų80.158%0.58145%0.445SS*.Hα-helixtrans-86.9-28.2174.3-74.2-179.7-175.31760113.4K715 I716 A717 F721 G722K715-R719 WeakPolarHBondContact O-CG 3.43Å; K715-R719 PolarHBondContact O-N 3.2Å; I716-R719 PolarHBondContact O-N 2.92Å; A717-R719 VanDerWaalsContact C-N 3.29Å; A717-R719 PolarHBondContact O-N 3.11Å; R719-F721 PolarHBondContact O-N 3.15Å; R719-G722 PolarHBondContact O-N 2.72Å; R719-G722 VanDerWaalsContact O-N 3.11Å
720L37.3Very low57.3Low102 Ų10282.2 Ų82.253%0.53446%0.455SS..Hα-helixtrans-72.7-8.5-177-85.6166.4000114I716 A717 G722 Q723I716-L720 HydrophobicContact CG2-CD1 3.5Å; I716-L720 HydrophobicContact CG2-CG 4.12Å; I716-L720 WeakPolarHBondContact O-CB 3.27Å; I716-L720 WeakPolarHBondContact O-CG 3.29Å; I716-L720 PolarHBondContact O-N 3.11Å; A717-L720 PolarHBondContact O-N 3.27Å; L720-G722 PolarHBondContact O-N 3.2Å; L720-Q723 WeakPolarHBondContact CD2-O 3.24Å
721F38.7Very low57.1Low200 Ų20081.9 Ų81.988%0.87745%0.451SS*.THydrogen-bonded Turntrans-61-0.7160.6-85.6-80000113.5R719R719-F721 PolarHBondContact O-N 3.15Å
722G30.3Very low57.4Low60 Ų6082 Ų8262%0.61945%0.452SS*.THydrogen-bonded Turntrans-142-15.4179.200000120.3R719 L720R719-G722 PolarHBondContact O-N 2.72Å; R719-G722 VanDerWaalsContact O-N 3.11Å; L720-G722 PolarHBondContact O-N 3.2Å
723Q28.8Very low57.8Low156 Ų15683.9 Ų83.973%0.72946%0.458SS*.  trans-151.4119.6-174.8-72-173.5-13.500115.5L720L720-Q723 WeakPolarHBondContact CD2-O 3.24Å
724T35Very low58.2Low142 Ų14281.7 Ų81.787%0.87145%0.447SS*.  trans-94.98216951.80000110.6
725S38.3Very low58.9Low85 Ų8577 Ų7759%0.59442%0.422SS*.  trans-124.3117.7164.288.20000111N727S725-N727 PolarHBondContact O-N 3.47Å
726A45Very low59.9Low56 Ų5675.2 Ų75.246%0.46342%0.415SS..  trans-72.890.417800000110.1S728 H778A726-S728 VanDerWaalsContact C-N 3.34Å; A726-S728 PolarHBondContact O-N 3.36Å; A726-H778 VanDerWaalsContact CB-NE2 3.31Å; A726-H778 WeakPolarHBondContact CB-NE2 3.14Å
727N54.6Low61Low81 Ų8171.3 Ų71.343%0.43339%0.394SS..  trans-75.389.1166-88.8-47.6000109.4S725 S729 K730S725-N727 PolarHBondContact O-N 3.47Å; N727-S729 PolarHBondContact O-N 2.96Å; N727-S729 VanDerWaalsContact O-N 3.16Å; N727-K730 HydrophobicContact CB-CD 4.01Å; N727-K730 HydrophobicContact CB-CG 4.05Å; N727-K730 WeakPolarHBondContact O-CB 3.39Å; N727-K730 PolarHBondContact O-N 3.39Å
728S55.2Low62.5Low27 Ų2769.4 Ų69.419%0.18938%0.377CS..Hα-helixtrans-45.2-44.5177.258.60000112.8A726 K730 T731A726-S728 VanDerWaalsContact C-N 3.34Å; A726-S728 PolarHBondContact O-N 3.36Å; S728-K730 PolarHBondContact O-N 3.42Å; S728-T731 WeakPolarHBondContact O-CB 3.22Å; S728-T731 PolarHBondContact O-N 3.19Å; S728-T731 PolarHBondContact O-OG1 3.37Å
729S62.7Low64.4Low46 Ų4665 Ų6532%0.32236%0.355SS..Hα-helixtrans-55.9-29-179.766.90000114N727N727-S729 PolarHBondContact O-N 2.96Å; N727-S729 VanDerWaalsContact O-N 3.16Å
730K77Confident66.2Low86 Ų8658.4 Ų58.437%0.37433%0.331SS..Hα-helixtrans-75.2-26.5179.5-67.7-175.1-179.5-179.80112.9L646 N727 S728 W733 D734L646-K730 HydrophobicContact CD2-CB 3.8Å; L646-K730 HydrophobicContact CD2-CD 4.41Å; L646-K730 HydrophobicContact CD2-CG 4.02Å; N727-K730 HydrophobicContact CB-CD 4.01Å; N727-K730 HydrophobicContact CB-CG 4.05Å; N727-K730 WeakPolarHBondContact O-CB 3.39Å; N727-K730 PolarHBondContact O-N 3.39Å; S728-K730 PolarHBondContact O-N 3.42Å; K730-W733 PolarHBondContact O-N 2.69Å; K730-D734 WeakPolarHBondContact O-CB 3.26Å; K730-D734 PolarHBondContact O-N 2.69Å
731T80.6Confident68.8Low31 Ų3153.7 Ų53.719%0.1931%0.307CS..Hα-helixtrans-70-40.9-17565.30000112.4S728 D734 S735 E771 Q774S728-T731 WeakPolarHBondContact O-CB 3.22Å; S728-T731 PolarHBondContact O-N 3.19Å; S728-T731 PolarHBondContact O-OG1 3.37Å; T731-D734 PolarHBondContact O-N 3.04Å; T731-S735 WeakPolarHBondContact O-CB 3.27Å; T731-S735 PolarHBondContact O-N 3.27Å; T731-S735 PolarHBondContact O-OG 3.14Å; T731-E771 WeakPolarHBondContact OG1-CG 3.33Å; T731-Q774 VanDerWaalsContact CG2-OE1 3.26Å
732F89Confident71.5Confident23 Ų2344.6 Ų44.610%0.10127%0.267CS..Hα-helixtrans-58.7-54172.9174.2-100.8000110.9F638 D734 S735 I736 A767 L768 E771F638-F732 HydrophobicContact CD1-CZ 4.37Å; F638-F732 HydrophobicContact CE1-CZ 4.08Å; F732-D734 VanDerWaalsContact C-N 3.29Å; F732-D734 PolarHBondContact O-N 3.14Å; F732-S735 WeakPolarHBondContact O-CA 3.21Å; F732-S735 WeakPolarHBondContact O-CB 3.49Å; F732-S735 PolarHBondContact O-N 3.33Å; F732-I736 HydrophobicContact CD1-CG1 4.3Å; F732-I736 HydrophobicContact CE1-CD1 4.37Å; F732-I736 HydrophobicContact CE1-CG1 3.85Å; F732-I736 HydrophobicContact CE2-CD1 4.22Å; F732-I736 HydrophobicContact CE2-CG1 4.28Å; F732-I736 HydrophobicContact CZ-CD1 3.86Å; F732-I736 HydrophobicContact CZ-CG1 3.83Å; F732-I736 WeakPolarHBondContact O-CG1 3.44Å; F732-I736 PolarHBondContact O-N 3.35Å; F732-A767 HydrophobicContact CD2-CB 3.84Å; F732-A767 HydrophobicContact CE2-CB 3.7Å; F732-L768 HydrophobicContact CD2-CD2 4Å; F732-L768 HydrophobicContact CD2-CG 4.44Å; F732-L768 HydrophobicContact CE2-CD2 3.81Å; F732-L768 HydrophobicContact CE2-CG 4Å; F732-E771 HydrophobicContact CB-CB 4.44Å; F732-E771 WeakPolarHBondContact CB-OE2 3.45Å
733W90.6Very high74.5Confident44 Ų4444.3 Ų44.317%0.16725%0.251CS..Hα-helixtrans-62.9-35.8-178.6-64.1119.1000112.4K641 A642 H645 L646 K730 S735 I736 I737K641-W733 HydrophobicContact CB-CE3 4.45Å; K641-W733 HydrophobicContact CB-CH2 3.8Å; K641-W733 HydrophobicContact CB-CZ2 4.48Å; K641-W733 HydrophobicContact CB-CZ3 3.78Å; K641-W733 HydrophobicContact CD-CH2 4.11Å; A642-W733 HydrophobicContact CB-CB 4.07Å; A642-W733 HydrophobicContact CB-CD2 4.39Å; A642-W733 HydrophobicContact CB-CE3 3.73Å; H645-W733 HydrophobicContact CB-CG 4.24Å; H645-W733 AromaticContact CD2-CD1 3.12Å; H645-W733 AromaticContact CD2-NE1 3.09Å; H645-W733 PolarHBondContact CD2-NE1 3.03Å; H645-W733 AromaticContact CG-CD1 3.57Å; H645-W733 AromaticContact CG-NE1 3.94Å; H645-W733 AromaticContact NE2-CD1 3.8Å; H645-W733 AromaticContact NE2-NE1 3.8Å; L646-W733 HydrophobicContact CD1-CB 3.91Å; L646-W733 HydrophobicContact CG-CB 4.05Å; K730-W733 PolarHBondContact O-N 2.69Å; W733-S735 VanDerWaalsContact C-N 3.25Å; W733-S735 PolarHBondContact O-N 2.89Å; W733-I736 HydrophobicContact CE3-CG1 4.42Å; W733-I736 WeakPolarHBondContact O-CB 3.39Å; W733-I736 PolarHBondContact O-N 3.42Å; W733-I737 WeakPolarHBondContact O-CG1 3.2Å; W733-I737 PolarHBondContact O-N 3.29Å
734D87.5Confident77.6Confident32 Ų3237.3 Ų37.317%0.17122%0.219CC..Hα-helixtrans-69.8-29.3177.2-175.659.9000111.5L646 R709 R712 K730 T731 F732 H738L646-D734 HydrophobicContact CD1-CB 3.95Å; R709-D734 IonicContact CZ-OD2 3.53Å; R709-D734 VanDerWaalsContact NH1-CG 3.28Å; R709-D734 IonicContact NH1-OD1 3.2Å; R709-D734 PolarHBondContact NH1-OD1 2.97Å; R709-D734 IonicContact NH1-OD2 3.45Å; R709-D734 PolarHBondContact NH1-OD2 2.98Å; R709-D734 IonicContact NH2-OD2 2.68Å; R712-D734 IonicContact CZ-OD1 3.13Å; R712-D734 IonicContact NE-OD1 3.23Å; R712-D734 PolarHBondContact NE-OD1 3.03Å; R712-D734 VanDerWaalsContact NE-OD1 3.13Å; R712-D734 IonicContact NH2-OD1 2.72Å; R712-D734 PolarHBondContact NH2-OD1 2.9Å; K730-D734 WeakPolarHBondContact O-CB 3.26Å; K730-D734 PolarHBondContact O-N 2.69Å; T731-D734 PolarHBondContact O-N 3.04Å; F732-D734 VanDerWaalsContact C-N 3.29Å; F732-D734 PolarHBondContact O-N 3.14Å; D734-H738 PolarHBondContact O-N 3Å
735S88.9Confident80.5Confident0 Ų030.5 Ų30.50%018%0.177CC..Hα-helixtrans-69.4-37.4173.6-57.40000112.4T731 F732 W733 H738 S770 R860T731-S735 WeakPolarHBondContact O-CB 3.27Å; T731-S735 PolarHBondContact O-N 3.27Å; T731-S735 PolarHBondContact O-OG 3.14Å; F732-S735 WeakPolarHBondContact O-CA 3.21Å; F732-S735 WeakPolarHBondContact O-CB 3.49Å; F732-S735 PolarHBondContact O-N 3.33Å; W733-S735 VanDerWaalsContact C-N 3.25Å; W733-S735 PolarHBondContact O-N 2.89Å; S735-H738 VanDerWaalsContact O-CB 3.31Å; S735-H738 WeakPolarHBondContact O-CB 3.21Å; S735-H738 PolarHBondContact O-N 3.36Å; S735-S770 PolarHBondContact OG-OG 2.99Å; S735-R860 PolarHBondContact O-NH2 2.92Å; S735-R860 VanDerWaalsContact O-NH2 3.15Å; S735-R860 PolarHBondContact OG-NH1 3.47Å
736I92.4Very high83.2Confident0 Ų028.3 Ų28.30%016%0.159CC..Hα-helixtrans-61.5-46.4176-70.5-61.4000111.4F638 A642 F732 W733 H738 W763 A767F638-I736 HydrophobicContact CB-CG2 4.2Å; F638-I736 HydrophobicContact CD1-CD1 4.12Å; A642-I736 HydrophobicContact CB-CB 4.32Å; A642-I736 HydrophobicContact CB-CG2 3.86Å; F732-I736 HydrophobicContact CD1-CG1 4.3Å; F732-I736 HydrophobicContact CE1-CD1 4.37Å; F732-I736 HydrophobicContact CE1-CG1 3.85Å; F732-I736 HydrophobicContact CE2-CD1 4.22Å; F732-I736 HydrophobicContact CE2-CG1 4.28Å; F732-I736 HydrophobicContact CZ-CD1 3.86Å; F732-I736 HydrophobicContact CZ-CG1 3.83Å; F732-I736 WeakPolarHBondContact O-CG1 3.44Å; F732-I736 PolarHBondContact O-N 3.35Å; W733-I736 HydrophobicContact CE3-CG1 4.42Å; W733-I736 WeakPolarHBondContact O-CB 3.39Å; W733-I736 PolarHBondContact O-N 3.42Å; I736-H738 VanDerWaalsContact C-N 3.32Å; I736-H738 PolarHBondContact O-N 2.88Å; I736-W763 HydrophobicContact CB-CZ2 4.1Å; I736-W763 HydrophobicContact CD1-CD2 4.31Å; I736-W763 HydrophobicContact CD1-CH2 4.31Å; I736-W763 HydrophobicContact CD1-CZ2 3.97Å; I736-W763 HydrophobicContact CG2-CH2 3.76Å; I736-W763 HydrophobicContact CG2-CZ2 3.37Å; I736-W763 VanDerWaalsContact O-CZ2 3.31Å; I736-W763 WeakPolarHBondContact O-CZ2 3.16Å; I736-W763 PolarHBondContact O-NE1 3.39Å; I736-W763 VanDerWaalsContact O-NE1 3.12Å; I736-A767 HydrophobicContact CD1-CB 3.64Å; I736-A767 HydrophobicContact CG1-CB 4.06Å
737I90.2Very high85.7Confident0 Ų026 Ų260%014%0.139CC..THydrogen-bonded Turntrans-9639.4179.157.3169.6000113.2A642 I643 L646 L705 R712 W733A642-I737 HydrophobicContact CB-CB 4.47Å; A642-I737 HydrophobicContact CB-CD1 4.37Å; A642-I737 HydrophobicContact CB-CG1 4.22Å; A642-I737 HydrophobicContact CB-CG2 3.55Å; I643-I737 HydrophobicContact CG1-CD1 4.39Å; I643-I737 HydrophobicContact CG1-CG2 4.32Å; L646-I737 HydrophobicContact CD1-CD1 3.64Å; L646-I737 HydrophobicContact CD1-CG1 4.06Å; L705-I737 HydrophobicContact CD2-CB 4.09Å; L705-I737 WeakPolarHBondContact CD2-O 3.3Å; R712-I737 VanDerWaalsContact NH1-CD1 3.29Å; R712-I737 PolarHBondContact NH2-O 3.46Å; W733-I737 WeakPolarHBondContact O-CG1 3.2Å; W733-I737 PolarHBondContact O-N 3.29Å
738H90.5Very high87.6Confident11 Ų1122.2 Ų22.25%0.05112%0.118CC..  trans-87.1144.7173.2-165.6-93.3000111D734 S735 I736 L740 S741D734-H738 PolarHBondContact O-N 3Å; S735-H738 VanDerWaalsContact O-CB 3.31Å; S735-H738 WeakPolarHBondContact O-CB 3.21Å; S735-H738 PolarHBondContact O-N 3.36Å; I736-H738 VanDerWaalsContact C-N 3.32Å; I736-H738 PolarHBondContact O-N 2.88Å; H738-L740 WeakPolarHBondContact ND1-CB 3.06Å; H738-L740 VanDerWaalsContact ND1-CG 3.35Å; H738-L740 WeakPolarHBondContact ND1-CG 3.32Å; H738-L740 PolarHBondContact ND1-N 3.08Å; H738-L740 PolarHBondContact O-N 2.95Å; H738-L740 VanDerWaalsContact O-N 3.12Å; H738-S741 VanDerWaalsContact O-CB 3.25Å; H738-S741 WeakPolarHBondContact O-CB 3.43Å; H738-S741 PolarHBondContact O-N 3.22Å; H738-S741 PolarHBondContact O-OG 3.29Å
739P90Very high89.6Confident28 Ų2820.9 Ų20.918%0.18211%0.109CC..THydrogen-bonded Turntrans-54.2-30.7177.4-28.135.1000114.7L705 S741 T742L705-P739 HydrophobicContact CB-CB 4.22Å; L705-P739 HydrophobicContact CB-CG 4.03Å; P739-S741 PolarHBondContact O-N 3.48Å; P739-S741 VanDerWaalsContact O-N 3.16Å; P739-T742 WeakPolarHBondContact O-CB 3.37Å; P739-T742 PolarHBondContact O-N 3.41Å; P739-T742 PolarHBondContact O-OG1 2.99Å
740L88.1Confident91Very high17 Ų1718.9 Ų18.99%0.0899%0.094CC..THydrogen-bonded Turntrans-61.6-21.1174.9-68.1173.1000113.7H738 T742 L743 L855 A856 C859H738-L740 WeakPolarHBondContact ND1-CB 3.06Å; H738-L740 VanDerWaalsContact ND1-CG 3.35Å; H738-L740 WeakPolarHBondContact ND1-CG 3.32Å; H738-L740 PolarHBondContact ND1-N 3.08Å; H738-L740 PolarHBondContact O-N 2.95Å; H738-L740 VanDerWaalsContact O-N 3.12Å; L740-T742 PolarHBondContact O-N 3.19Å; L740-L743 HydrophobicContact CD2-CD1 4Å; L740-L743 WeakPolarHBondContact O-CB 3.23Å; L740-L743 PolarHBondContact O-N 2.9Å; L740-L855 HydrophobicContact CD1-CB 4.49Å; L740-L855 HydrophobicContact CD2-CB 3.92Å; L740-L855 HydrophobicContact CD2-CD1 4.41Å; L740-A856 VanDerWaalsContact CD1-CA 3.43Å; L740-A856 HydrophobicContact CD1-CB 4.02Å; L740-C859 HydrophobicContact CD1-CB 3.75Å
741S92.1Very high91.7Very high3 Ų314.8 Ų14.82%0.0218%0.077CC..Hα-helixtrans-60.1-27.7176.966.80000112.5R639 L705 H738 P739 L743 N744 I745R639-S741 PolarHBondContact NH2-OG 3.23Å; L705-S741 WeakPolarHBondContact CD1-OG 3.47Å; H738-S741 VanDerWaalsContact O-CB 3.25Å; H738-S741 WeakPolarHBondContact O-CB 3.43Å; H738-S741 PolarHBondContact O-N 3.22Å; H738-S741 PolarHBondContact O-OG 3.29Å; P739-S741 PolarHBondContact O-N 3.48Å; P739-S741 VanDerWaalsContact O-N 3.16Å; S741-L743 VanDerWaalsContact C-N 3.26Å; S741-L743 PolarHBondContact O-N 3.4Å; S741-N744 PolarHBondContact O-N 3.07Å; S741-I745 PolarHBondContact O-N 3.04Å
742T93.9Very high92Very high8 Ų816.8 Ų16.85%0.0498%0.083CC..Hα-helixtrans-61.1-33.3174.7-50.50000112.2C698 D701 A702 L705 P739 L740 N744 I745 L746C698-T742 HydrophobicContact CB-CG2 3.72Å; C698-T742 WeakPolarHBondContact O-CG2 3.37Å; D701-T742 HydrophobicContact CB-CG2 4.34Å; D701-T742 PolarHBondContact OD2-OG1 3.19Å; A702-T742 HydrophobicContact CB-CG2 4.19Å; L705-T742 WeakPolarHBondContact CD1-OG1 3.12Å; P739-T742 WeakPolarHBondContact O-CB 3.37Å; P739-T742 PolarHBondContact O-N 3.41Å; P739-T742 PolarHBondContact O-OG1 2.99Å; L740-T742 PolarHBondContact O-N 3.19Å; T742-N744 PolarHBondContact O-N 3.2Å; T742-I745 WeakPolarHBondContact O-CB 3.45Å; T742-I745 PolarHBondContact O-N 3.48Å; T742-L746 PolarHBondContact O-N 2.9Å
743L93.6Very high92.1Very high54 Ų5417.2 Ų17.228%0.2839%0.088SC..Hα-helixtrans-66.1-38.1177.5-65.2176.4000111.9L740 S741 I745 L746 M747 I852 L855L740-L743 HydrophobicContact CD2-CD1 4Å; L740-L743 WeakPolarHBondContact O-CB 3.23Å; L740-L743 PolarHBondContact O-N 2.9Å; S741-L743 VanDerWaalsContact C-N 3.26Å; S741-L743 PolarHBondContact O-N 3.4Å; L743-I745 VanDerWaalsContact C-N 3.27Å; L743-I745 PolarHBondContact O-N 2.92Å; L743-L746 WeakPolarHBondContact O-CB 3.49Å; L743-L746 PolarHBondContact O-N 3.24Å; L743-M747 WeakPolarHBondContact O-CG 3.24Å; L743-M747 PolarHBondContact O-N 3.44Å; L743-I852 HydrophobicContact CB-CD1 3.92Å; L743-I852 HydrophobicContact CB-CG1 4.04Å; L743-I852 HydrophobicContact CD1-CG1 4.3Å; L743-L855 HydrophobicContact CD1-CD1 3.58Å
744N95.4Very high92.2Very high9 Ų915.1 Ų15.15%0.0488%0.08CC..Hα-helixtrans-61.8-39.7175.3-59.2-61.9000111S741 T742 M747 C748 W759 W763S741-N744 PolarHBondContact O-N 3.07Å; T742-N744 PolarHBondContact O-N 3.2Å; N744-M747 PolarHBondContact O-N 3.05Å; N744-C748 PolarHBondContact O-N 3.22Å; N744-C748 VanDerWaalsContact O-N 3.14Å; N744-C748 PolarHBondContact O-SG 3.03Å; N744-W759 HydrophobicContact CB-CB 4.46Å; N744-W759 HydrophobicContact CB-CE3 4.17Å; N744-W759 WeakPolarHBondContact OD1-CZ3 3.34Å; N744-W763 HydrophobicContact CB-CB 4.31Å
745I95Very high92.5Very high0 Ų013.8 Ų13.80%07%0.073CC..Hα-helixtrans-66.7-40.4176.8-60.2171.6000111.2W632 F635 R639 I668 Q672 S741 T742 L743 M747 C748 L749W632-I745 HydrophobicContact CH2-CG2 4.34Å; F635-I745 HydrophobicContact CE1-CD1 4.4Å; F635-I745 HydrophobicContact CE2-CD1 3.57Å; F635-I745 HydrophobicContact CE2-CG1 3.96Å; F635-I745 HydrophobicContact CZ-CD1 3.33Å; F635-I745 HydrophobicContact CZ-CG1 4.07Å; R639-I745 VanDerWaalsContact NH2-CD1 3.26Å; I668-I745 HydrophobicContact CG2-CG2 3.38Å; Q672-I745 PolarHBondContact NE2-O 3.45Å; S741-I745 PolarHBondContact O-N 3.04Å; T742-I745 WeakPolarHBondContact O-CB 3.45Å; T742-I745 PolarHBondContact O-N 3.48Å; L743-I745 VanDerWaalsContact C-N 3.27Å; L743-I745 PolarHBondContact O-N 2.92Å; I745-M747 VanDerWaalsContact C-N 3.26Å; I745-M747 PolarHBondContact O-N 3.35Å; I745-C748 WeakPolarHBondContact O-CA 3.34Å; I745-C748 VanDerWaalsContact O-CB 3.23Å; I745-C748 WeakPolarHBondContact O-CB 3.49Å; I745-C748 PolarHBondContact O-N 2.89Å; I745-L749 PolarHBondContact O-N 3.16Å
746L96Very high92.8Very high38 Ų3813.9 Ų13.920%0.1997%0.074CC..Hα-helixtrans-58.5-42.2174.7-178.763.6000110.5Y695 T742 L743 C748 L749 L750Y695-L746 HydrophobicContact CD1-CD1 3.65Å; Y695-L746 HydrophobicContact CE1-CD1 3.63Å; T742-L746 PolarHBondContact O-N 2.9Å; L743-L746 WeakPolarHBondContact O-CB 3.49Å; L743-L746 PolarHBondContact O-N 3.24Å; L746-C748 VanDerWaalsContact C-N 3.27Å; L746-C748 PolarHBondContact O-N 3.46Å; L746-L749 VanDerWaalsContact O-CB 3.27Å; L746-L749 WeakPolarHBondContact O-CB 3.11Å; L746-L749 PolarHBondContact O-N 3.09Å; L746-L750 HydrophobicContact CG-CD1 4.41Å; L746-L750 WeakPolarHBondContact O-CG 3.31Å; L746-L750 PolarHBondContact O-N 3.36Å
747M96.1Very high92.9Very high9 Ų914.1 Ų14.14%0.0448%0.075CC..Hα-helixtrans-64.4-31.3174.7-59.2-52.3126.600112.9L743 N744 I745 L749 L750 G751 W759 Y845 S848 I852L743-M747 WeakPolarHBondContact O-CG 3.24Å; L743-M747 PolarHBondContact O-N 3.44Å; N744-M747 PolarHBondContact O-N 3.05Å; I745-M747 VanDerWaalsContact C-N 3.26Å; I745-M747 PolarHBondContact O-N 3.35Å; M747-L749 PolarHBondContact O-N 2.94Å; M747-L750 HydrophobicContact CE-CD1 4.17Å; M747-L750 PolarHBondContact O-N 3.4Å; M747-L750 HydrophobicContact SD-CD1 4.11Å; M747-G751 PolarHBondContact O-N 3.45Å; M747-G751 VanDerWaalsContact O-N 3.16Å; M747-W759 VanDerWaalsContact CB-CD1 3.48Å; M747-W759 HydrophobicContact CB-CD2 3.73Å; M747-W759 HydrophobicContact CB-CG 3.7Å; M747-W759 HydrophobicContact CB-CZ2 4.31Å; M747-W759 HydrophobicContact CG-CD2 4.07Å; M747-W759 HydrophobicContact CG-CH2 4.42Å; M747-W759 HydrophobicContact CG-CZ2 4.02Å; M747-Y845 HydrophobicContact SD-CD2 3.93Å; M747-S848 WeakPolarHBondContact SD-CB 3.48Å; M747-I852 HydrophobicContact CE-CD1 4.5Å; M747-I852 HydrophobicContact CG-CD1 3.81Å
748C95.9Very high93.3Very high0 Ų014.1 Ų14.10%08%0.075CC..Hα-helixtrans-63.4-26.1170.9-55.30000113.1W632 R676 N744 I745 L746 T756W632-C748 HydrophobicContact CH2-CB 3.91Å; W632-C748 HydrophobicContact CZ2-CB 4.08Å; R676-C748 PolarHBondContact NH2-O 3.28Å; N744-C748 PolarHBondContact O-N 3.22Å; N744-C748 VanDerWaalsContact O-N 3.14Å; N744-C748 PolarHBondContact O-SG 3.03Å; I745-C748 WeakPolarHBondContact O-CA 3.34Å; I745-C748 VanDerWaalsContact O-CB 3.23Å; I745-C748 WeakPolarHBondContact O-CB 3.49Å; I745-C748 PolarHBondContact O-N 2.89Å; L746-C748 VanDerWaalsContact C-N 3.27Å; L746-C748 PolarHBondContact O-N 3.46Å; C748-T756 HydrophobicContact CB-CG2 4.23Å
749L95.3Very high93.6Very high0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-74.6-48.7172.9-176.761.5000110.9Q672 Y675 R676 A691 V694 Y695 I745 L746 M747 V828Q672-L749 VanDerWaalsContact NE2-CB 3.29Å; Y675-L749 HydrophobicContact CD1-CD1 3.61Å; Y675-L749 HydrophobicContact CE1-CD1 3.86Å; Y675-L749 HydrophobicContact CG-CD1 4.16Å; R676-L749 PolarHBondContact NH2-O 3.08Å; A691-L749 HydrophobicContact CB-CD1 4.34Å; V694-L749 HydrophobicContact CB-CD1 4.26Å; V694-L749 HydrophobicContact CB-CD2 3.99Å; V694-L749 HydrophobicContact CG1-CB 4.39Å; V694-L749 HydrophobicContact CG1-CD1 4.21Å; V694-L749 HydrophobicContact CG1-CD2 3.8Å; V694-L749 HydrophobicContact CG1-CG 4.35Å; V694-L749 HydrophobicContact CG2-CD1 4.44Å; Y695-L749 HydrophobicContact CD1-CD2 4.16Å; Y695-L749 HydrophobicContact CD2-CD2 4.26Å; Y695-L749 HydrophobicContact CE1-CD2 3.92Å; Y695-L749 HydrophobicContact CE2-CD2 4.03Å; Y695-L749 HydrophobicContact CG-CD2 4.32Å; I745-L749 PolarHBondContact O-N 3.16Å; L746-L749 VanDerWaalsContact O-CB 3.27Å; L746-L749 WeakPolarHBondContact O-CB 3.11Å; L746-L749 PolarHBondContact O-N 3.09Å; M747-L749 PolarHBondContact O-N 2.94Å; L749-V828 HydrophobicContact CD1-CG1 4.12Å; L749-V828 HydrophobicContact CD2-CG1 4.17Å; L749-V828 HydrophobicContact CG-CG1 3.78Å
750L93Very high93.9Very high3 Ų312.4 Ų12.42%0.0167%0.065CC..Hα-helixtrans-69.9-35.4-168.7-64.4179.4000113.2Y695 L746 M747 A825 V828 L841 Y845Y695-L750 HydrophobicContact CE1-CD2 4.28Å; Y695-L750 WeakPolarHBondContact OH-CD2 3.29Å; L746-L750 HydrophobicContact CG-CD1 4.41Å; L746-L750 WeakPolarHBondContact O-CG 3.31Å; L746-L750 PolarHBondContact O-N 3.36Å; M747-L750 HydrophobicContact CE-CD1 4.17Å; M747-L750 PolarHBondContact O-N 3.4Å; M747-L750 HydrophobicContact SD-CD1 4.11Å; L750-A825 HydrophobicContact CB-CB 4.16Å; L750-A825 VanDerWaalsContact O-CA 3.29Å; L750-A825 WeakPolarHBondContact O-CA 3.27Å; L750-A825 WeakPolarHBondContact O-CB 3.35Å; L750-V828 HydrophobicContact CD2-CB 4.11Å; L750-V828 HydrophobicContact CD2-CG2 4.4Å; L750-L841 HydrophobicContact CD2-CD2 4.19Å; L750-Y845 HydrophobicContact CB-CD2 3.56Å; L750-Y845 HydrophobicContact CB-CE2 4.05Å; L750-Y845 HydrophobicContact CB-CG 4.19Å; L750-Y845 HydrophobicContact CD1-CD2 4.28Å
751G90.5Very high94.3Very high1 Ų111.8 Ų11.81%0.016%0.062CC..SBendtrans-86.3178.4-177.400000115R676 M747 Y845R676-G751 VanDerWaalsContact CZ-O 3.27Å; R676-G751 PolarHBondContact NH1-O 2.97Å; R676-G751 PolarHBondContact NH2-O 3.49Å; M747-G751 PolarHBondContact O-N 3.45Å; M747-G751 VanDerWaalsContact O-N 3.16Å; G751-Y845 VanDerWaalsContact CA-CZ 3.49Å; G751-Y845 WeakPolarHBondContact CA-OH 3.43Å
752K88.3Confident94.6Very high72 Ų7211.7 Ų11.731%0.3136%0.061SC..  trans-63.8161.1168.6-58.2-170.1175.2-170.10112.4H210 Y616 V754 I755H210-K752 PolarHBondContact O-NZ 2.9Å; Y616-K752 WeakPolarHBondContact OH-CB 3.38Å; K752-V754 VanDerWaalsContact C-N 3.34Å; K752-V754 PolarHBondContact O-N 3.08Å; K752-V754 VanDerWaalsContact O-N 3.11Å; K752-I755 HydrophobicContact CB-CG1 4.45Å; K752-I755 WeakPolarHBondContact O-CB 3.47Å; K752-I755 WeakPolarHBondContact O-CG1 3.39Å; K752-I755 PolarHBondContact O-N 2.97Å
753P90.4Very high94.6Very high32 Ų3211.5 Ų11.521%0.2086%0.059CC..Hα-helixtrans-45.2-45.1-178.2-35.737.4000117Y616 L624 L628 I755 T756Y616-P753 HydrophobicContact CE1-CB 4.47Å; Y616-P753 HydrophobicContact CE1-CG 4.41Å; Y616-P753 WeakPolarHBondContact OH-CD 3.27Å; L624-P753 HydrophobicContact CD1-CB 4.3Å; L624-P753 HydrophobicContact CD2-CB 4.29Å; L628-P753 HydrophobicContact CD1-CB 3.75Å; P753-I755 PolarHBondContact O-N 2.67Å; P753-T756 VanDerWaalsContact O-CB 3.29Å; P753-T756 WeakPolarHBondContact O-CB 3.48Å; P753-T756 PolarHBondContact O-N 3.01Å; P753-T756 VanDerWaalsContact O-N 3.08Å; P753-T756 PolarHBondContact O-OG1 3.39Å
754V92.2Very high94.7Very high0 Ų010.4 Ų10.40%05%0.054CC..Hα-helixtrans-62.2-25.4-179.8172.90000112.5L598 L615 Y616 L624 K752 T756 I757 L758L598-V754 HydrophobicContact CD2-CG1 3.91Å; L615-V754 HydrophobicContact CB-CG2 4.36Å; L615-V754 HydrophobicContact CD1-CG2 3.97Å; Y616-V754 HydrophobicContact CD2-CG2 4.46Å; Y616-V754 HydrophobicContact CE1-CG2 4.44Å; Y616-V754 HydrophobicContact CE2-CB 4.25Å; Y616-V754 HydrophobicContact CE2-CG2 3.67Å; Y616-V754 WeakPolarHBondContact OH-CG2 3.41Å; Y616-V754 PolarHBondContact OH-N 3.33Å; Y616-V754 VanDerWaalsContact OH-N 3.11Å; L624-V754 HydrophobicContact CD1-CG2 3.61Å; K752-V754 VanDerWaalsContact C-N 3.34Å; K752-V754 PolarHBondContact O-N 3.08Å; K752-V754 VanDerWaalsContact O-N 3.11Å; V754-T756 PolarHBondContact O-N 3.1Å; V754-I757 VanDerWaalsContact O-CB 3.31Å; V754-I757 WeakPolarHBondContact O-CB 3.17Å; V754-I757 PolarHBondContact O-N 3.47Å; V754-L758 PolarHBondContact O-N 2.58Å
755I94Very high94.8Very high5 Ų510 Ų103%0.0265%0.051CC..Hα-helixtrans-63.8-24.3177.5-59.9-66.8000111.7K752 P753 I757 L758 W759 Q812 Y845K752-I755 HydrophobicContact CB-CG1 4.45Å; K752-I755 WeakPolarHBondContact O-CB 3.47Å; K752-I755 WeakPolarHBondContact O-CG1 3.39Å; K752-I755 PolarHBondContact O-N 2.97Å; P753-I755 PolarHBondContact O-N 2.67Å; I755-I757 VanDerWaalsContact C-N 3.35Å; I755-L758 HydrophobicContact CD1-CD2 4.09Å; I755-L758 WeakPolarHBondContact O-CB 3.31Å; I755-L758 PolarHBondContact O-N 3Å; I755-W759 PolarHBondContact O-N 3.26Å; I755-Q812 HydrophobicContact CD1-CG 4.09Å; I755-Y845 WeakPolarHBondContact CG1-OH 3.49Å; I755-Y845 HydrophobicContact CG2-CE2 4.2Å
756T95.2Very high94.8Very high1 Ų110.6 Ų10.61%0.0065%0.054CC..Hα-helixtrans-62.5-42.7170.8-57.50000111.8L628 W632 C748 P753 V754 L758 L760L628-T756 HydrophobicContact CD2-CG2 3.9Å; W632-T756 HydrophobicContact CD2-CG2 4.13Å; W632-T756 HydrophobicContact CH2-CG2 4.23Å; W632-T756 HydrophobicContact CZ2-CG2 3.57Å; C748-T756 HydrophobicContact CB-CG2 4.23Å; P753-T756 VanDerWaalsContact O-CB 3.29Å; P753-T756 WeakPolarHBondContact O-CB 3.48Å; P753-T756 PolarHBondContact O-N 3.01Å; P753-T756 VanDerWaalsContact O-N 3.08Å; P753-T756 PolarHBondContact O-OG1 3.39Å; V754-T756 PolarHBondContact O-N 3.1Å; T756-L758 VanDerWaalsContact C-N 3.3Å; T756-L758 PolarHBondContact O-N 2.92Å; T756-L760 HydrophobicContact CG2-CD1 3.8Å; T756-L760 HydrophobicContact CG2-CG 4.4Å; T756-L760 WeakPolarHBondContact O-CB 3.43Å; T756-L760 VanDerWaalsContact O-CG 3.31Å; T756-L760 WeakPolarHBondContact O-CG 3.12Å; T756-L760 PolarHBondContact O-N 3.44Å
757I96.2Very high94.7Very high5 Ų58.8 Ų8.83%0.0264%0.044CC..Hα-helixtrans-62.2-45.5177.4-59.3174.8000109L594 L598 L615 C627 W631 V754 I755 S761L594-I757 HydrophobicContact CD1-CG2 4.32Å; L594-I757 HydrophobicContact CD2-CG2 4.43Å; L598-I757 HydrophobicContact CD1-CG2 4.28Å; L598-I757 HydrophobicContact CD2-CG2 4.37Å; L615-I757 HydrophobicContact CD1-CD1 4.38Å; C627-I757 HydrophobicContact CB-CD1 3.82Å; W631-I757 HydrophobicContact CD2-CG2 4.15Å; W631-I757 HydrophobicContact CG-CB 4.48Å; W631-I757 HydrophobicContact CG-CG1 4.36Å; W631-I757 HydrophobicContact CG-CG2 4.35Å; W631-I757 HydrophobicContact CZ2-CG2 4.03Å; W631-I757 PolarHBondContact NE1-O 3.44Å; V754-I757 VanDerWaalsContact O-CB 3.31Å; V754-I757 WeakPolarHBondContact O-CB 3.17Å; V754-I757 PolarHBondContact O-N 3.47Å; I755-I757 VanDerWaalsContact C-N 3.35Å; I757-S761 VanDerWaalsContact O-CB 3.29Å; I757-S761 WeakPolarHBondContact O-CB 3.09Å; I757-S761 PolarHBondContact O-N 2.9Å; I757-S761 VanDerWaalsContact O-N 3.15Å; I757-S761 PolarHBondContact O-OG 2.91Å; I757-S761 VanDerWaalsContact O-OG 3.12Å
758L96.7Very high94.6Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-58.4-57.9179-179.873.9000112.4L595 L598 V754 I755 T756 L760 S761 I762 Q811 Q812L595-L758 HydrophobicContact CD2-CD1 3.63Å; L598-L758 HydrophobicContact CD1-CB 3.88Å; L598-L758 HydrophobicContact CD1-CD1 3.88Å; V754-L758 PolarHBondContact O-N 2.58Å; I755-L758 HydrophobicContact CD1-CD2 4.09Å; I755-L758 WeakPolarHBondContact O-CB 3.31Å; I755-L758 PolarHBondContact O-N 3Å; T756-L758 VanDerWaalsContact C-N 3.3Å; T756-L758 PolarHBondContact O-N 2.92Å; L758-L760 PolarHBondContact O-N 3.47Å; L758-S761 WeakPolarHBondContact O-CB 3.29Å; L758-S761 PolarHBondContact O-N 3.48Å; L758-I762 HydrophobicContact CD1-CD1 4.05Å; L758-I762 HydrophobicContact CD2-CD1 4.39Å; L758-I762 HydrophobicContact CG-CD1 3.81Å; L758-I762 WeakPolarHBondContact O-CG1 3.43Å; L758-I762 PolarHBondContact O-N 3.5Å; L758-Q811 HydrophobicContact CD1-CB 3.77Å; L758-Q812 HydrophobicContact CD2-CB 3.93Å; L758-Q812 HydrophobicContact CD2-CG 4.37Å
759W97.2Very high94.4Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-71-34-171.3-84103.4000114N744 M747 I755 S761 I762 W763 S848 I852N744-W759 HydrophobicContact CB-CB 4.46Å; N744-W759 HydrophobicContact CB-CE3 4.17Å; N744-W759 WeakPolarHBondContact OD1-CZ3 3.34Å; M747-W759 VanDerWaalsContact CB-CD1 3.48Å; M747-W759 HydrophobicContact CB-CD2 3.73Å; M747-W759 HydrophobicContact CB-CG 3.7Å; M747-W759 HydrophobicContact CB-CZ2 4.31Å; M747-W759 HydrophobicContact CG-CD2 4.07Å; M747-W759 HydrophobicContact CG-CH2 4.42Å; M747-W759 HydrophobicContact CG-CZ2 4.02Å; I755-W759 PolarHBondContact O-N 3.26Å; W759-S761 VanDerWaalsContact C-N 3.31Å; W759-I762 HydrophobicContact CD2-CD1 4.34Å; W759-I762 HydrophobicContact CE3-CB 4.26Å; W759-I762 HydrophobicContact CE3-CD1 4.2Å; W759-I762 HydrophobicContact CE3-CG2 4.07Å; W759-I762 HydrophobicContact CZ3-CD1 4.36Å; W759-I762 HydrophobicContact CZ3-CG2 3.99Å; W759-I762 PolarHBondContact O-N 3.32Å; W759-W763 WeakPolarHBondContact O-CB 3.47Å; W759-W763 PolarHBondContact O-N 2.92Å; W759-S848 WeakPolarHBondContact CZ2-OG 3.49Å; W759-I852 HydrophobicContact CE3-CD1 4.22Å; W759-I852 HydrophobicContact CH2-CD1 3.65Å; W759-I852 HydrophobicContact CZ2-CD1 4.5Å; W759-I852 HydrophobicContact CZ3-CB 4.3Å; W759-I852 HydrophobicContact CZ3-CD1 3.48Å; W759-I852 VanDerWaalsContact CZ3-CD1 3.48Å; W759-I852 HydrophobicContact CZ3-CG1 4.45Å; W759-I852 HydrophobicContact CZ3-CG2 4.32Å
760L96.8Very high94.2Very high4 Ų48.9 Ų8.92%0.0215%0.045CC..Hα-helixtrans-69.6-32.1173.4-66.6-179.9000111.6W631 W632 F635 T756 L758 W763 I764W631-L760 HydrophobicContact CB-CD1 4.04Å; W632-L760 HydrophobicContact CD2-CD1 4.25Å; W632-L760 HydrophobicContact CE3-CD1 3.83Å; W632-L760 HydrophobicContact CZ3-CD1 4.13Å; W632-L760 HydrophobicContact CZ3-CD2 4.35Å; F635-L760 HydrophobicContact CB-CD1 4.07Å; F635-L760 HydrophobicContact CB-CD2 4.07Å; F635-L760 HydrophobicContact CD2-CD2 3.72Å; F635-L760 HydrophobicContact CE2-CD2 4.46Å; F635-L760 HydrophobicContact CG-CD2 4.08Å; T756-L760 HydrophobicContact CG2-CD1 3.8Å; T756-L760 HydrophobicContact CG2-CG 4.4Å; T756-L760 WeakPolarHBondContact O-CB 3.43Å; T756-L760 VanDerWaalsContact O-CG 3.31Å; T756-L760 WeakPolarHBondContact O-CG 3.12Å; T756-L760 PolarHBondContact O-N 3.44Å; L758-L760 PolarHBondContact O-N 3.47Å; L760-W763 HydrophobicContact CD2-CE3 4.43Å; L760-I764 WeakPolarHBondContact O-CG1 3.39Å; L760-I764 PolarHBondContact O-N 2.96Å
761S97Very high94Very high4 Ų49.6 Ų9.63%0.0285%0.048CC..Hα-helixtrans-71.6-39.7170.9-730000112.6L594 W631 I757 L758 W759 W763 I764 K765L594-S761 WeakPolarHBondContact CD2-OG 3.26Å; W631-S761 PolarHBondContact NE1-OG 3.21Å; I757-S761 VanDerWaalsContact O-CB 3.29Å; I757-S761 WeakPolarHBondContact O-CB 3.09Å; I757-S761 PolarHBondContact O-N 2.9Å; I757-S761 VanDerWaalsContact O-N 3.15Å; I757-S761 PolarHBondContact O-OG 2.91Å; I757-S761 VanDerWaalsContact O-OG 3.12Å; L758-S761 WeakPolarHBondContact O-CB 3.29Å; L758-S761 PolarHBondContact O-N 3.48Å; W759-S761 VanDerWaalsContact C-N 3.31Å; S761-W763 VanDerWaalsContact C-N 3.31Å; S761-W763 PolarHBondContact O-N 3.36Å; S761-I764 PolarHBondContact O-N 3.03Å; S761-K765 WeakPolarHBondContact O-CB 3.13Å; S761-K765 PolarHBondContact O-N 2.85Å
762I96.8Very high93.8Very high1 Ų19.5 Ų9.51%0.0055%0.048CC..Hα-helixtrans-61.2-40.6172.5-71.5168.9000110.9L595 L758 W759 I764 K765 E766 S808 W853L595-I762 HydrophobicContact CD2-CG1 4.23Å; L758-I762 HydrophobicContact CD1-CD1 4.05Å; L758-I762 HydrophobicContact CD2-CD1 4.39Å; L758-I762 HydrophobicContact CG-CD1 3.81Å; L758-I762 WeakPolarHBondContact O-CG1 3.43Å; L758-I762 PolarHBondContact O-N 3.5Å; W759-I762 HydrophobicContact CD2-CD1 4.34Å; W759-I762 HydrophobicContact CE3-CB 4.26Å; W759-I762 HydrophobicContact CE3-CD1 4.2Å; W759-I762 HydrophobicContact CE3-CG2 4.07Å; W759-I762 HydrophobicContact CZ3-CD1 4.36Å; W759-I762 HydrophobicContact CZ3-CG2 3.99Å; W759-I762 PolarHBondContact O-N 3.32Å; I762-I764 PolarHBondContact O-N 3.14Å; I762-K765 WeakPolarHBondContact O-CB 3.28Å; I762-K765 PolarHBondContact O-N 3.13Å; I762-K765 VanDerWaalsContact O-N 3.17Å; I762-E766 WeakPolarHBondContact O-CB 3.2Å; I762-E766 PolarHBondContact O-N 2.92Å; I762-S808 WeakPolarHBondContact CD1-OG 3.39Å; I762-W853 HydrophobicContact CG2-CZ2 3.96Å
763W95.6Very high93.7Very high4 Ų46.1 Ų6.12%0.0153%0.033CC..Hα-helixtrans-58.8-43.9175.516858.8000112.6F635 F638 R639 I736 N744 W759 L760 S761 A767F635-W763 HydrophobicContact CB-CZ3 4.28Å; F635-W763 HydrophobicContact CD2-CE3 4.21Å; F635-W763 AromaticContact CD2-CH2 3.67Å; F635-W763 HydrophobicContact CD2-CH2 3.67Å; F635-W763 HydrophobicContact CD2-CZ2 4.29Å; F635-W763 AromaticContact CD2-CZ3 3.66Å; F635-W763 HydrophobicContact CD2-CZ3 3.66Å; F635-W763 HydrophobicContact CE2-CH2 4.23Å; F635-W763 HydrophobicContact CE2-CZ2 4.45Å; F635-W763 HydrophobicContact CG-CZ3 4.42Å; F638-W763 HydrophobicContact CB-CH2 3.78Å; F638-W763 HydrophobicContact CB-CZ3 4.09Å; R639-W763 HydrophobicContact CG-CH2 4.24Å; R639-W763 HydrophobicContact CG-CZ2 4.32Å; I736-W763 HydrophobicContact CB-CZ2 4.1Å; I736-W763 HydrophobicContact CD1-CD2 4.31Å; I736-W763 HydrophobicContact CD1-CH2 4.31Å; I736-W763 HydrophobicContact CD1-CZ2 3.97Å; I736-W763 HydrophobicContact CG2-CH2 3.76Å; I736-W763 HydrophobicContact CG2-CZ2 3.37Å; I736-W763 VanDerWaalsContact O-CZ2 3.31Å; I736-W763 WeakPolarHBondContact O-CZ2 3.16Å; I736-W763 PolarHBondContact O-NE1 3.39Å; I736-W763 VanDerWaalsContact O-NE1 3.12Å; N744-W763 HydrophobicContact CB-CB 4.31Å; W759-W763 WeakPolarHBondContact O-CB 3.47Å; W759-W763 PolarHBondContact O-N 2.92Å; L760-W763 HydrophobicContact CD2-CE3 4.43Å; S761-W763 VanDerWaalsContact C-N 3.31Å; S761-W763 PolarHBondContact O-N 3.36Å; W763-A767 PolarHBondContact O-N 3.25Å
764I95.8Very high93.3Very high31 Ų317.1 Ų7.116%0.1594%0.035CC..Hα-helixtrans-65.9-42.5174.3-65.8168.1000110.7I634 F638 L760 S761 I762 E766 A767 L768I634-I764 HydrophobicContact CG2-CD1 4.14Å; F638-I764 HydrophobicContact CD1-CD1 4.22Å; F638-I764 HydrophobicContact CD1-CG1 4.09Å; F638-I764 HydrophobicContact CE1-CD1 3.8Å; F638-I764 HydrophobicContact CE1-CG1 3.89Å; F638-I764 HydrophobicContact CE1-CG2 4.31Å; F638-I764 HydrophobicContact CZ-CD1 4.24Å; L760-I764 WeakPolarHBondContact O-CG1 3.39Å; L760-I764 PolarHBondContact O-N 2.96Å; S761-I764 PolarHBondContact O-N 3.03Å; I762-I764 PolarHBondContact O-N 3.14Å; I764-E766 PolarHBondContact O-N 3.27Å; I764-A767 PolarHBondContact O-N 3.04Å; I764-L768 HydrophobicContact CG2-CD1 4.25Å; I764-L768 WeakPolarHBondContact O-CG 3.45Å; I764-L768 PolarHBondContact O-N 3.39Å
765K95.9Very high92.8Very high0 Ų07.7 Ų7.70%04%0.038CC..Hα-helixtrans-59.7-45.4178.3-175.1179.1163.8-178.40112.1I587 L590 D591 L595 S761 I762 A767 L768 I769 W853I587-K765 HydrophobicContact CG2-CG 4.34Å; L590-K765 HydrophobicContact CD2-CB 3.85Å; L590-K765 HydrophobicContact CD2-CG 4.45Å; D591-K765 IonicContact OD1-NZ 3.71Å; D591-K765 PolarHBondContact OD1-NZ 3.02Å; D591-K765 VanDerWaalsContact OD2-CE 3.29Å; D591-K765 WeakPolarHBondContact OD2-CE 3.48Å; D591-K765 IonicContact OD2-NZ 3.42Å; D591-K765 PolarHBondContact OD2-NZ 3.24Å; L595-K765 HydrophobicContact CD1-CD 3.86Å; S761-K765 WeakPolarHBondContact O-CB 3.13Å; S761-K765 PolarHBondContact O-N 2.85Å; I762-K765 WeakPolarHBondContact O-CB 3.28Å; I762-K765 PolarHBondContact O-N 3.13Å; I762-K765 VanDerWaalsContact O-N 3.17Å; K765-A767 VanDerWaalsContact C-N 3.34Å; K765-A767 PolarHBondContact O-N 2.95Å; K765-L768 WeakPolarHBondContact O-CB 3.42Å; K765-L768 PolarHBondContact O-N 3.34Å; K765-I769 HydrophobicContact CG-CD1 4.26Å; K765-I769 WeakPolarHBondContact O-CG1 3.25Å; K765-I769 PolarHBondContact O-N 3.2Å; K765-W853 HydrophobicContact CD-CZ2 4.48Å; K765-W853 HydrophobicContact CG-CH2 4.35Å
766E95.1Very high92.1Very high12 Ų127.8 Ų7.86%0.0564%0.038CC..Hα-helixtrans-61.4-43.2177.6-167.9-74.9141.400111.1I762 I764 L768 I769 S770 Y801 W853 A856 R860I762-E766 WeakPolarHBondContact O-CB 3.2Å; I762-E766 PolarHBondContact O-N 2.92Å; I764-E766 PolarHBondContact O-N 3.27Å; E766-L768 VanDerWaalsContact C-N 3.33Å; E766-L768 PolarHBondContact O-N 3.04Å; E766-I769 PolarHBondContact O-N 3.38Å; E766-S770 VanDerWaalsContact O-CB 3.32Å; E766-S770 WeakPolarHBondContact O-CB 3.42Å; E766-S770 PolarHBondContact O-N 3.32Å; E766-Y801 HydrophobicContact CG-CE1 4.27Å; E766-Y801 PolarHBondContact OE1-OH 2.92Å; E766-W853 HydrophobicContact CB-CH2 3.72Å; E766-W853 HydrophobicContact CB-CZ2 4.24Å; E766-W853 HydrophobicContact CB-CZ3 3.95Å; E766-W853 HydrophobicContact CG-CE3 4.08Å; E766-W853 HydrophobicContact CG-CH2 4.05Å; E766-W853 HydrophobicContact CG-CZ3 3.73Å; E766-A856 HydrophobicContact CG-CB 4.11Å; E766-R860 WeakPolarHBondContact OE1-CD 3.41Å; E766-R860 IonicContact OE1-CZ 3.08Å; E766-R860 IonicContact OE1-NE 2.88Å; E766-R860 PolarHBondContact OE1-NE 2.86Å; E766-R860 IonicContact OE1-NH2 3.84Å; E766-R860 IonicContact OE2-CZ 3.29Å; E766-R860 IonicContact OE2-NE 2.95Å; E766-R860 PolarHBondContact OE2-NE 3.29Å; E766-R860 IonicContact OE2-NH2 3.84Å; E766-R860 PolarHBondContact OE2-NH2 3.26Å
767A93.8Very high91.3Very high0 Ų08.1 Ų8.10%04%0.04CC..Hα-helixtrans-62.4-38.5176.500000112.8F732 I736 W763 I764 K765 E771F732-A767 HydrophobicContact CD2-CB 3.84Å; F732-A767 HydrophobicContact CE2-CB 3.7Å; I736-A767 HydrophobicContact CD1-CB 3.64Å; I736-A767 HydrophobicContact CG1-CB 4.06Å; W763-A767 PolarHBondContact O-N 3.25Å; I764-A767 PolarHBondContact O-N 3.04Å; K765-A767 VanDerWaalsContact C-N 3.34Å; K765-A767 PolarHBondContact O-N 2.95Å; A767-E771 PolarHBondContact O-N 3.26Å
768L94Very high90.3Very high11 Ų1112 Ų126%0.0586%0.058CC..Hα-helixtrans-66.2-43.5175-72.4174.2000112.3I583 K586 I587 F732 I764 K765 E766 E771 M772I583-L768 HydrophobicContact CG1-CD2 4.37Å; I583-L768 HydrophobicContact CG2-CB 4.1Å; I583-L768 WeakPolarHBondContact CG2-O 3.36Å; K586-L768 HydrophobicContact CB-CD1 4Å; K586-L768 HydrophobicContact CD-CD1 4.46Å; K586-L768 HydrophobicContact CD-CD2 4.4Å; I587-L768 HydrophobicContact CD1-CB 4.11Å; I587-L768 HydrophobicContact CG1-CB 4.03Å; I587-L768 HydrophobicContact CG1-CD1 4.17Å; F732-L768 HydrophobicContact CD2-CD2 4Å; F732-L768 HydrophobicContact CD2-CG 4.44Å; F732-L768 HydrophobicContact CE2-CD2 3.81Å; F732-L768 HydrophobicContact CE2-CG 4Å; I764-L768 HydrophobicContact CG2-CD1 4.25Å; I764-L768 WeakPolarHBondContact O-CG 3.45Å; I764-L768 PolarHBondContact O-N 3.39Å; K765-L768 WeakPolarHBondContact O-CB 3.42Å; K765-L768 PolarHBondContact O-N 3.34Å; E766-L768 VanDerWaalsContact C-N 3.33Å; E766-L768 PolarHBondContact O-N 3.04Å; L768-E771 PolarHBondContact O-N 3.46Å; L768-M772 PolarHBondContact O-N 3.49Å
769I92.9Very high89.3Confident0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-66.1-40.9176.6-69.2178.2000110.7I560 I587 K765 E766 E771 M772 I773 I800 Y801 Q804 W853I560-I769 HydrophobicContact CD1-CD1 4.46Å; I587-I769 HydrophobicContact CD1-CD1 4.48Å; I587-I769 HydrophobicContact CD1-CG1 3.58Å; I587-I769 HydrophobicContact CG1-CG1 4.4Å; K765-I769 HydrophobicContact CG-CD1 4.26Å; K765-I769 WeakPolarHBondContact O-CG1 3.25Å; K765-I769 PolarHBondContact O-N 3.2Å; E766-I769 PolarHBondContact O-N 3.38Å; I769-E771 PolarHBondContact O-N 3.11Å; I769-M772 WeakPolarHBondContact O-CB 3.41Å; I769-M772 PolarHBondContact O-N 2.92Å; I769-I773 HydrophobicContact CG2-CD1 3.99Å; I769-I773 HydrophobicContact CG2-CG1 4.34Å; I769-I773 WeakPolarHBondContact O-CG1 3.27Å; I769-I773 PolarHBondContact O-N 3.37Å; I769-I800 HydrophobicContact CG2-CG2 3.92Å; I769-Y801 HydrophobicContact CG2-CD2 4.46Å; I769-Y801 HydrophobicContact CG2-CE2 3.8Å; I769-Q804 HydrophobicContact CD1-CG 3.71Å; I769-W853 HydrophobicContact CD1-CH2 3.85Å; I769-W853 HydrophobicContact CD1-CZ3 4.04Å
770S90.5Very high88.1Confident0 Ų015.1 Ų15.10%07%0.07CC..Hα-helixtrans-57.2-47.2174.5171.10000111.6S735 E766 M772 I773 Q774 R860S735-S770 PolarHBondContact OG-OG 2.99Å; E766-S770 VanDerWaalsContact O-CB 3.32Å; E766-S770 WeakPolarHBondContact O-CB 3.42Å; E766-S770 PolarHBondContact O-N 3.32Å; S770-M772 PolarHBondContact O-N 3.17Å; S770-I773 PolarHBondContact O-N 3.12Å; S770-Q774 WeakPolarHBondContact O-CB 3.49Å; S770-Q774 VanDerWaalsContact O-CG 3.27Å; S770-Q774 WeakPolarHBondContact O-CG 3.17Å; S770-Q774 PolarHBondContact O-N 3.31Å; S770-Q774 PolarHBondContact OG-NE2 3.28Å; S770-R860 WeakPolarHBondContact OG-CD 3.26Å
771E88.6Confident86.4Confident18 Ų1816 Ų168%0.0848%0.08CC..Hα-helixtrans-59-46.9175.3176.5175.1-159.300111.6I583 T731 F732 A767 L768 I769 I773 Q774 L775I583-E771 HydrophobicContact CD1-CB 4.32Å; I583-E771 HydrophobicContact CD1-CG 3.74Å; T731-E771 WeakPolarHBondContact OG1-CG 3.33Å; F732-E771 HydrophobicContact CB-CB 4.44Å; F732-E771 WeakPolarHBondContact CB-OE2 3.45Å; A767-E771 PolarHBondContact O-N 3.26Å; L768-E771 PolarHBondContact O-N 3.46Å; I769-E771 PolarHBondContact O-N 3.11Å; E771-I773 PolarHBondContact O-N 3.04Å; E771-Q774 PolarHBondContact O-N 3.19Å; E771-L775 HydrophobicContact CG-CD1 4.17Å; E771-L775 WeakPolarHBondContact O-CG 3.26Å; E771-L775 PolarHBondContact O-N 3.38Å
772M87.6Confident84.2Confident0 Ų016.9 Ų16.90%08%0.084CC..Hα-helixtrans-58.1-49.5177.8-176.6-174.772.400111.9T563 I583 I584 L768 I769 S770 L775 I776T563-M772 HydrophobicContact CG2-CE 4.47Å; I583-M772 HydrophobicContact CG2-CB 4.18Å; I584-M772 HydrophobicContact CG1-SD 4.36Å; L768-M772 PolarHBondContact O-N 3.49Å; I769-M772 WeakPolarHBondContact O-CB 3.41Å; I769-M772 PolarHBondContact O-N 2.92Å; S770-M772 PolarHBondContact O-N 3.17Å; M772-L775 WeakPolarHBondContact O-CB 3.39Å; M772-L775 PolarHBondContact O-N 3.29Å; M772-I776 HydrophobicContact CG-CD1 4.38Å; M772-I776 WeakPolarHBondContact O-CG1 3.28Å; M772-I776 PolarHBondContact O-N 3.47Å; M772-I776 VanDerWaalsContact O-N 3.11Å
773I85.9Confident81.9Confident0 Ų024.2 Ų24.20%012%0.118CC..Hα-helixtrans-66.5-40.7-178.3-66.8-176000111.4I769 S770 E771 L775 I776 F777 S797 I800 Y801 F861I769-I773 HydrophobicContact CG2-CD1 3.99Å; I769-I773 HydrophobicContact CG2-CG1 4.34Å; I769-I773 WeakPolarHBondContact O-CG1 3.27Å; I769-I773 PolarHBondContact O-N 3.37Å; S770-I773 PolarHBondContact O-N 3.12Å; E771-I773 PolarHBondContact O-N 3.04Å; I773-L775 VanDerWaalsContact C-N 3.29Å; I773-L775 PolarHBondContact O-N 3.15Å; I773-I776 WeakPolarHBondContact O-CB 3.46Å; I773-I776 PolarHBondContact O-N 3.25Å; I773-I776 VanDerWaalsContact O-N 3.16Å; I773-F777 HydrophobicContact CG2-CD1 3.78Å; I773-F777 HydrophobicContact CG2-CE1 3.44Å; I773-F777 VanDerWaalsContact CG2-CE1 3.44Å; I773-F777 HydrophobicContact CG2-CE2 4.39Å; I773-F777 HydrophobicContact CG2-CG 4.41Å; I773-F777 HydrophobicContact CG2-CZ 3.8Å; I773-F777 VanDerWaalsContact O-CD1 3.24Å; I773-F777 WeakPolarHBondContact O-CD1 3.46Å; I773-F777 PolarHBondContact O-N 3.38Å; I773-S797 WeakPolarHBondContact CG2-OG 3.24Å; I773-I800 HydrophobicContact CD1-CD1 4.23Å; I773-Y801 HydrophobicContact CD1-CD2 3.96Å; I773-Y801 HydrophobicContact CD1-CE2 3.59Å; I773-F861 HydrophobicContact CB-CE1 4.14Å; I773-F861 HydrophobicContact CB-CZ 3.86Å; I773-F861 HydrophobicContact CD1-CE2 4.49Å; I773-F861 HydrophobicContact CD1-CZ 4.42Å; I773-F861 HydrophobicContact CG2-CD1 4.19Å; I773-F861 HydrophobicContact CG2-CE1 3.52Å; I773-F861 HydrophobicContact CG2-CE2 4.32Å; I773-F861 HydrophobicContact CG2-CZ 3.61Å
774Q82.5Confident79.6Confident54 Ų5425.1 Ų25.125%0.25213%0.125SC..Hα-helixtrans-63.6-36.3177.5-72.5-17940.500112.2T731 S770 E771 F777 H778 F861T731-Q774 VanDerWaalsContact CG2-OE1 3.26Å; S770-Q774 WeakPolarHBondContact O-CB 3.49Å; S770-Q774 VanDerWaalsContact O-CG 3.27Å; S770-Q774 WeakPolarHBondContact O-CG 3.17Å; S770-Q774 PolarHBondContact O-N 3.31Å; S770-Q774 PolarHBondContact OG-NE2 3.28Å; E771-Q774 PolarHBondContact O-N 3.19Å; Q774-F777 PolarHBondContact O-N 2.87Å; Q774-H778 WeakPolarHBondContact O-CB 3.35Å; Q774-H778 PolarHBondContact O-N 3.39Å; Q774-F861 HydrophobicContact CG-CE1 3.91Å
775L81Confident77.1Confident12 Ų1229.2 Ų29.26%0.06316%0.156CC..Hα-helixtrans-61.8-46171.7-75.7167.3000111.3I579 I580 I583 E771 M772 I773 F777 H778 Y779I579-L775 HydrophobicContact CG2-CD1 3.95Å; I580-L775 HydrophobicContact CD1-CD1 4.42Å; I580-L775 HydrophobicContact CG1-CD1 4.12Å; I583-L775 HydrophobicContact CD1-CD1 4.46Å; E771-L775 HydrophobicContact CG-CD1 4.17Å; E771-L775 WeakPolarHBondContact O-CG 3.26Å; E771-L775 PolarHBondContact O-N 3.38Å; M772-L775 WeakPolarHBondContact O-CB 3.39Å; M772-L775 PolarHBondContact O-N 3.29Å; I773-L775 VanDerWaalsContact C-N 3.29Å; I773-L775 PolarHBondContact O-N 3.15Å; L775-F777 VanDerWaalsContact C-N 3.32Å; L775-F777 PolarHBondContact O-N 3.43Å; L775-H778 PolarHBondContact O-N 2.89Å; L775-Y779 HydrophobicContact CD2-CE2 4.2Å; L775-Y779 VanDerWaalsContact O-CD2 3.29Å; L775-Y779 WeakPolarHBondContact O-CD2 3.41Å; L775-Y779 PolarHBondContact O-N 3.4Å
776I80Confident74.8Confident6 Ų632.6 Ų32.63%0.03117%0.172CC..Hα-helixtrans-60.1-44.2176.1-59.4165.1000110.7F516 T563 I567 M772 I773 H778 Y779 S780 L793F516-I776 HydrophobicContact CE2-CG2 4.22Å; T563-I776 HydrophobicContact CG2-CD1 3.55Å; I567-I776 HydrophobicContact CD1-CD1 3.71Å; I567-I776 HydrophobicContact CD1-CG1 3.18Å; I567-I776 HydrophobicContact CG1-CD1 4.38Å; I567-I776 HydrophobicContact CG1-CG1 3.75Å; M772-I776 HydrophobicContact CG-CD1 4.38Å; M772-I776 WeakPolarHBondContact O-CG1 3.28Å; M772-I776 PolarHBondContact O-N 3.47Å; M772-I776 VanDerWaalsContact O-N 3.11Å; I773-I776 WeakPolarHBondContact O-CB 3.46Å; I773-I776 PolarHBondContact O-N 3.25Å; I773-I776 VanDerWaalsContact O-N 3.16Å; I776-H778 VanDerWaalsContact C-N 3.29Å; I776-H778 PolarHBondContact O-N 2.76Å; I776-Y779 PolarHBondContact O-N 3.06Å; I776-S780 WeakPolarHBondContact O-CB 3.4Å; I776-S780 PolarHBondContact O-N 3.42Å; I776-S780 PolarHBondContact O-OG 3.16Å; I776-L793 HydrophobicContact CG2-CD1 3.74Å; I776-L793 HydrophobicContact CG2-CD2 4.15Å
777F77.6Confident72.8Confident8 Ų835.2 Ų35.24%0.03519%0.186CC..Hα-helixtrans-63.3-37.4179.7-79.326.1000111.6I773 Q774 L775 S780 I782 L793 S797 F861I773-F777 HydrophobicContact CG2-CD1 3.78Å; I773-F777 HydrophobicContact CG2-CE1 3.44Å; I773-F777 VanDerWaalsContact CG2-CE1 3.44Å; I773-F777 HydrophobicContact CG2-CE2 4.39Å; I773-F777 HydrophobicContact CG2-CG 4.41Å; I773-F777 HydrophobicContact CG2-CZ 3.8Å; I773-F777 VanDerWaalsContact O-CD1 3.24Å; I773-F777 WeakPolarHBondContact O-CD1 3.46Å; I773-F777 PolarHBondContact O-N 3.38Å; Q774-F777 PolarHBondContact O-N 2.87Å; L775-F777 VanDerWaalsContact C-N 3.32Å; L775-F777 PolarHBondContact O-N 3.43Å; F777-S780 WeakPolarHBondContact CA-OG 3.49Å; F777-S780 PolarHBondContact O-OG 3.41Å; F777-S780 VanDerWaalsContact O-OG 3.06Å; F777-I782 HydrophobicContact CD1-CD1 4.48Å; F777-I782 HydrophobicContact CD2-CD1 4.35Å; F777-I782 HydrophobicContact CG-CD1 4.22Å; F777-L793 HydrophobicContact CD1-CD2 3.25Å; F777-L793 HydrophobicContact CD1-CG 3.68Å; F777-L793 HydrophobicContact CE1-CB 4.4Å; F777-L793 HydrophobicContact CE1-CD1 4.35Å; F777-L793 HydrophobicContact CE1-CD2 3.58Å; F777-L793 HydrophobicContact CE1-CG 3.44Å; F777-L793 VanDerWaalsContact CE1-CG 3.44Å; F777-L793 HydrophobicContact CG-CD2 4.07Å; F777-L793 HydrophobicContact CZ-CG 4.37Å; F777-S797 WeakPolarHBondContact CE1-OG 3.17Å; F777-S797 VanDerWaalsContact CZ-OG 3.28Å; F777-S797 WeakPolarHBondContact CZ-OG 3.24Å; F777-F861 HydrophobicContact CD2-CD1 4.16Å; F777-F861 HydrophobicContact CE2-CB 4.35Å; F777-F861 AromaticContact CE2-CD1 3.64Å; F777-F861 HydrophobicContact CE2-CD1 3.64Å; F777-F861 HydrophobicContact CE2-CE1 4.36Å; F777-F861 HydrophobicContact CE2-CG 4.27Å; F777-F861 HydrophobicContact CZ-CD1 4.2Å
778H74.9Confident71Confident88 Ų8837.7 Ų37.741%0.40720%0.202SC..Hα-helixtrans-67.4-49.4177.8-176.463.5000112A726 Q774 L775 I776A726-H778 VanDerWaalsContact CB-NE2 3.31Å; A726-H778 WeakPolarHBondContact CB-NE2 3.14Å; Q774-H778 WeakPolarHBondContact O-CB 3.35Å; Q774-H778 PolarHBondContact O-N 3.39Å; L775-H778 PolarHBondContact O-N 2.89Å; I776-H778 VanDerWaalsContact C-N 3.29Å; I776-H778 PolarHBondContact O-N 2.76Å
779Y75.7Confident69.6Low63 Ų6337.6 Ų37.625%0.24720%0.201CC..Hα-helixtrans-78.3-20.1-177.4-75.8-74.4000114.3S515 V572 V576 L775 I776 G781S515-Y779 WeakPolarHBondContact CB-O 3.49Å; V572-Y779 HydrophobicContact CB-CD1 4.45Å; V572-Y779 HydrophobicContact CG1-CD1 3.84Å; V572-Y779 HydrophobicContact CG1-CG 3.83Å; V576-Y779 HydrophobicContact CB-CE2 4.23Å; V576-Y779 HydrophobicContact CG1-CD2 3.98Å; V576-Y779 HydrophobicContact CG1-CE2 3.66Å; V576-Y779 HydrophobicContact CG2-CE1 4.35Å; V576-Y779 HydrophobicContact CG2-CE2 3.52Å; V576-Y779 VanDerWaalsContact CG2-CZ 3.41Å; V576-Y779 WeakPolarHBondContact CG2-OH 3.34Å; L775-Y779 HydrophobicContact CD2-CE2 4.2Å; L775-Y779 VanDerWaalsContact O-CD2 3.29Å; L775-Y779 WeakPolarHBondContact O-CD2 3.41Å; L775-Y779 PolarHBondContact O-N 3.4Å; I776-Y779 PolarHBondContact O-N 3.06Å; Y779-G781 PolarHBondContact O-N 3.48Å
780S71.4Confident68.2Low1 Ų142.9 Ų42.91%0.00722%0.221CC..THydrogen-bonded Turntrans-72.9-5.9175.453.10000113.7I776 F777 I782 L793I776-S780 WeakPolarHBondContact O-CB 3.4Å; I776-S780 PolarHBondContact O-N 3.42Å; I776-S780 PolarHBondContact O-OG 3.16Å; F777-S780 WeakPolarHBondContact CA-OG 3.49Å; F777-S780 PolarHBondContact O-OG 3.41Å; F777-S780 VanDerWaalsContact O-OG 3.06Å; S780-I782 VanDerWaalsContact C-N 3.3Å; S780-I782 PolarHBondContact O-N 2.97Å; S780-L793 WeakPolarHBondContact OG-CD2 3.1Å
781G60.9Low67.1Low22 Ų2247.4 Ų47.423%0.22724%0.238CC..THydrogen-bonded Turntrans64.134.9177.900000112.6Y779 H783 S784Y779-G781 PolarHBondContact O-N 3.48Å; G781-H783 PolarHBondContact O-N 2.93Å; G781-S784 VanDerWaalsContact O-CB 3.23Å; G781-S784 WeakPolarHBondContact O-CB 3.16Å; G781-S784 PolarHBondContact O-N 3.4Å; G781-S784 PolarHBondContact O-OG 2.84Å
782I52.3Low66.5Low23 Ų2348.3 Ų48.312%0.11824%0.243CC..THydrogen-bonded Turntrans-54.6-16.4178.6-101.9-179000114F777 S780 S784 F789 L793 Y866F777-I782 HydrophobicContact CD1-CD1 4.48Å; F777-I782 HydrophobicContact CD2-CD1 4.35Å; F777-I782 HydrophobicContact CG-CD1 4.22Å; S780-I782 VanDerWaalsContact C-N 3.3Å; S780-I782 PolarHBondContact O-N 2.97Å; I782-S784 VanDerWaalsContact C-N 3.25Å; I782-F789 HydrophobicContact CG1-CB 4.15Å; I782-L793 HydrophobicContact CD1-CB 4.25Å; I782-L793 HydrophobicContact CD1-CD2 3.57Å; I782-L793 HydrophobicContact CD1-CG 4.41Å; I782-L793 HydrophobicContact CG1-CD2 4.27Å; I782-Y866 HydrophobicContact CG2-CE1 4.22Å; I782-Y866 WeakPolarHBondContact CG2-OH 3.29Å
783H48.4Very low65.9Low155 Ų15548.6 Ų48.672%0.71825%0.245SC*.THydrogen-bonded Turntrans-73-14.9171.7-65.6-70.1000113.7G781G781-H783 PolarHBondContact O-N 2.93Å
784S46.5Very low65.5Low23 Ų2348.8 Ų48.816%0.16125%0.246CC..SBendtrans-71.8149173.168.40000110.8Y514 G781 I782 H786Y514-S784 WeakPolarHBondContact CE1-OG 3.47Å; Y514-S784 PolarHBondContact OH-OG 2.71Å; G781-S784 VanDerWaalsContact O-CB 3.23Å; G781-S784 WeakPolarHBondContact O-CB 3.16Å; G781-S784 PolarHBondContact O-N 3.4Å; G781-S784 PolarHBondContact O-OG 2.84Å; I782-S784 VanDerWaalsContact C-N 3.25Å; S784-H786 PolarHBondContact O-N 3.47Å
785S43.6Very low65.4Low117 Ų11747.2 Ų47.282%0.81824%0.239SC*.SBendtrans-64.76.9-178.551.20000115.1N787S785-N787 PolarHBondContact O-N 3.44Å
786H47.2Very low65.5Low71 Ų7147 Ų4733%0.32924%0.238SC..  trans-78.5121.3-176.4-76.7-99000113.2Y514 S784 T788Y514-H786 AromaticContact CZ-CD2 3.75Å; Y514-H786 AromaticContact CZ-NE2 3.94Å; Y514-H786 PolarHBondContact OH-CD2 3.21Å; Y514-H786 PolarHBondContact OH-NE2 2.82Å; S784-H786 PolarHBondContact O-N 3.47Å; H786-T788 VanDerWaalsContact C-N 3.29Å; H786-T788 PolarHBondContact O-N 3.11Å
787N54.5Low65.7Low67 Ų6746.9 Ų46.936%0.35824%0.238SC..Hα-helixtrans-63.1-28.3-179.8-73.7-24.8000114.2D487 S785 R790 Y791D487-N787 PolarHBondContact OD2-ND2 3.22Å; S785-N787 PolarHBondContact O-N 3.44Å; N787-R790 WeakPolarHBondContact O-CB 3.47Å; N787-R790 PolarHBondContact O-N 2.87Å; N787-Y791 WeakPolarHBondContact O-CD2 3.31Å
788T55.2Low66.2Low52 Ų5246.5 Ų46.532%0.31924%0.236SC..Hα-helixtrans-64.1-51.1-173.8-49.60000112.2H786 R790 I792H786-T788 VanDerWaalsContact C-N 3.29Å; H786-T788 PolarHBondContact O-N 3.11Å; T788-R790 VanDerWaalsContact C-N 3.31Å; T788-R790 PolarHBondContact O-N 3.36Å; T788-I792 HydrophobicContact CG2-CD1 3.52Å; T788-I792 WeakPolarHBondContact O-CB 3.42Å; T788-I792 WeakPolarHBondContact O-CD1 3.41Å; T788-I792 WeakPolarHBondContact O-CG1 3.29Å; T788-I792 PolarHBondContact O-N 3.14Å
789F63.6Low67Low9 Ų942.3 Ų42.34%0.03922%0.217CC..Hα-helixtrans-71.3-28178.9-71.2-75000112.6Y514 P518 V521 I782 Y791 L793Y514-F789 HydrophobicContact CD1-CE2 4.19Å; P518-F789 HydrophobicContact CB-CZ 4.34Å; P518-F789 HydrophobicContact CG-CE2 4.1Å; P518-F789 HydrophobicContact CG-CZ 3.91Å; V521-F789 HydrophobicContact CG2-CE1 4.06Å; I782-F789 HydrophobicContact CG1-CB 4.15Å; F789-Y791 VanDerWaalsContact C-N 3.27Å; F789-Y791 PolarHBondContact O-N 3.42Å; F789-L793 WeakPolarHBondContact O-CB 3.46Å; F789-L793 PolarHBondContact O-N 3.01Å
790R64.5Low67.7Low111 Ų11139.4 Ų39.442%0.41921%0.205SC..Hα-helixtrans-58.4-33.8-178.5-172.1177-179.9173.91.4113.7N787 T788N787-R790 WeakPolarHBondContact O-CB 3.47Å; N787-R790 PolarHBondContact O-N 2.87Å; T788-R790 VanDerWaalsContact C-N 3.31Å; T788-R790 PolarHBondContact O-N 3.36Å
791Y68Low68.8Low95 Ų9539.4 Ų39.437%0.37321%0.205SC..Hα-helixtrans-108.4-38.7-179.1-63.6-72.3000113.7N787 F789 F795 F869N787-Y791 WeakPolarHBondContact O-CD2 3.31Å; F789-Y791 VanDerWaalsContact C-N 3.27Å; F789-Y791 PolarHBondContact O-N 3.42Å; Y791-F795 PolarHBondContact O-N 2.87Å; Y791-F869 HydrophobicContact CD1-CD2 4.27Å
792I74.8Confident70.3Confident37 Ų3738.7 Ų38.719%0.1920%0.196CC..Hα-helixtrans-70.4-44.3-172.4-62178.2000111V521 Q522 C525 T788 F795 C796V521-I792 HydrophobicContact CB-CG2 4.46Å; V521-I792 HydrophobicContact CG1-CG2 3.54Å; Q522-I792 HydrophobicContact CG-CD1 3.78Å; C525-I792 HydrophobicContact CB-CG2 4.21Å; C525-I792 VanDerWaalsContact SG-CG2 3.51Å; C525-I792 PolarHBondContact SG-O 2.92Å; T788-I792 HydrophobicContact CG2-CD1 3.52Å; T788-I792 WeakPolarHBondContact O-CB 3.42Å; T788-I792 WeakPolarHBondContact O-CD1 3.41Å; T788-I792 WeakPolarHBondContact O-CG1 3.29Å; T788-I792 PolarHBondContact O-N 3.14Å; I792-F795 PolarHBondContact O-N 3.23Å; I792-C796 PolarHBondContact O-N 3.44Å
793L75.9Confident72.3Confident6 Ų637.6 Ų37.63%0.03119%0.19CC..Hα-helixtrans-69.4-43.1-172.7-167.869000112.7V521 I776 F777 S780 I782 F789 F795 C796 S797V521-L793 HydrophobicContact CG1-CD1 4.24Å; I776-L793 HydrophobicContact CG2-CD1 3.74Å; I776-L793 HydrophobicContact CG2-CD2 4.15Å; F777-L793 HydrophobicContact CD1-CD2 3.25Å; F777-L793 HydrophobicContact CD1-CG 3.68Å; F777-L793 HydrophobicContact CE1-CB 4.4Å; F777-L793 HydrophobicContact CE1-CD1 4.35Å; F777-L793 HydrophobicContact CE1-CD2 3.58Å; F777-L793 HydrophobicContact CE1-CG 3.44Å; F777-L793 VanDerWaalsContact CE1-CG 3.44Å; F777-L793 HydrophobicContact CG-CD2 4.07Å; F777-L793 HydrophobicContact CZ-CG 4.37Å; S780-L793 WeakPolarHBondContact OG-CD2 3.1Å; I782-L793 HydrophobicContact CD1-CB 4.25Å; I782-L793 HydrophobicContact CD1-CD2 3.57Å; I782-L793 HydrophobicContact CD1-CG 4.41Å; I782-L793 HydrophobicContact CG1-CD2 4.27Å; F789-L793 WeakPolarHBondContact O-CB 3.46Å; F789-L793 PolarHBondContact O-N 3.01Å; L793-F795 VanDerWaalsContact C-N 3.28Å; L793-F795 PolarHBondContact O-N 2.74Å; L793-C796 PolarHBondContact O-N 2.79Å; L793-S797 PolarHBondContact O-N 3.37Å; L793-S797 PolarHBondContact O-OG 2.71Å
794P77.2Confident74.6Confident4 Ų430.2 Ų30.23%0.02616%0.156CC..Hα-helixtrans-57.9-36.2169.1-2938.2000114.3S797 W798 Y857 F869P794-S797 PolarHBondContact O-N 2.69Å; P794-W798 PolarHBondContact O-N 3.15Å; P794-Y857 PolarHBondContact O-OH 3.19Å; P794-F869 HydrophobicContact CB-CD2 4.47Å; P794-F869 HydrophobicContact CB-CE1 4.11Å; P794-F869 HydrophobicContact CB-CE2 3.46Å; P794-F869 VanDerWaalsContact CB-CE2 3.46Å; P794-F869 HydrophobicContact CB-CZ 3.22Å; P794-F869 HydrophobicContact CG-CE2 3.89Å; P794-F869 HydrophobicContact CG-CZ 4.11Å
795F80.2Confident77Confident22 Ų2229.1 Ų29.110%0.09615%0.149CC..Hα-helixtrans-68.7-44.9176.3176.3-115.9000112.2C525 T529 Y791 I792 L793 S797 W798 L799 F873 L876 F880C525-F795 HydrophobicContact CB-CD1 4.06Å; C525-F795 HydrophobicContact CB-CE1 4.25Å; C525-F795 VanDerWaalsContact SG-CD1 3.56Å; T529-F795 WeakPolarHBondContact OG1-CE1 3.46Å; Y791-F795 PolarHBondContact O-N 2.87Å; I792-F795 PolarHBondContact O-N 3.23Å; L793-F795 VanDerWaalsContact C-N 3.28Å; L793-F795 PolarHBondContact O-N 2.74Å; F795-S797 VanDerWaalsContact C-N 3.27Å; F795-S797 PolarHBondContact O-N 2.92Å; F795-W798 AromaticContact CD2-CE3 3.85Å; F795-W798 HydrophobicContact CD2-CE3 3.85Å; F795-W798 HydrophobicContact CD2-CZ3 4.43Å; F795-W798 AromaticContact CE2-CE3 3.6Å; F795-W798 HydrophobicContact CE2-CE3 3.6Å; F795-W798 AromaticContact CE2-CZ3 3.73Å; F795-W798 HydrophobicContact CE2-CZ3 3.73Å; F795-W798 WeakPolarHBondContact O-CB 3.32Å; F795-W798 PolarHBondContact O-N 3.37Å; F795-W798 VanDerWaalsContact O-N 3.08Å; F795-L799 HydrophobicContact CD1-CD1 4.11Å; F795-L799 HydrophobicContact CE1-CD1 3.65Å; F795-L799 HydrophobicContact CE1-CG 4.22Å; F795-L799 HydrophobicContact CE2-CD2 4.28Å; F795-L799 HydrophobicContact CE2-CG 4.23Å; F795-L799 HydrophobicContact CZ-CD1 3.9Å; F795-L799 HydrophobicContact CZ-CD2 4.01Å; F795-L799 HydrophobicContact CZ-CG 4.02Å; F795-L799 WeakPolarHBondContact O-CG 3.36Å; F795-L799 PolarHBondContact O-N 3.29Å; F795-F873 HydrophobicContact CB-CE2 4.43Å; F795-F873 HydrophobicContact CD2-CE2 4.32Å; F795-L876 HydrophobicContact CD2-CD2 3.31Å; F795-L876 HydrophobicContact CD2-CG 4.21Å; F795-L876 HydrophobicContact CE2-CD1 4.45Å; F795-L876 HydrophobicContact CE2-CD2 3.5Å; F795-L876 VanDerWaalsContact CE2-CD2 3.5Å; F795-L876 HydrophobicContact CE2-CG 3.95Å; F795-L876 HydrophobicContact CG-CD2 4Å; F795-L876 HydrophobicContact CZ-CD2 4.33Å; F795-F880 HydrophobicContact CE2-CD2 4.4Å; F795-F880 AromaticContact CE2-CE2 3.94Å; F795-F880 HydrophobicContact CE2-CE2 3.94Å; F795-F880 AromaticContact CZ-CE2 3.88Å; F795-F880 HydrophobicContact CZ-CE2 3.88Å; F795-F880 HydrophobicContact CZ-CZ 4.38Å
796C83.1Confident79.5Confident7 Ų724.6 Ų24.65%0.04711%0.114CC..Hα-helixtrans-58.2-39.8172.8-84.30000111.1I524 C525 I792 L793 L799 I800I524-C796 HydrophobicContact CG2-CB 4.47Å; C525-C796 WeakPolarHBondContact CB-SG 2.91Å; C525-C796 PolarHBondContact N-SG 2.76Å; C525-C796 VanDerWaalsContact SG-CA 3.58Å; C525-C796 WeakPolarHBondContact SG-CB 3.3Å; C525-C796 PolarHBondContact SG-N 3.01Å; C525-C796 CovalentContact SG-SG 2.06Å; C525-C796 PolarHBondContact SG-SG 2.94Å; I792-C796 PolarHBondContact O-N 3.44Å; L793-C796 PolarHBondContact O-N 2.79Å; C796-L799 PolarHBondContact O-N 2.7Å; C796-I800 WeakPolarHBondContact O-CG1 3.46Å; C796-I800 PolarHBondContact O-N 3.03Å
797S85.2Confident81.8Confident4 Ų421.3 Ų21.33%0.02810%0.099CC..Hα-helixtrans-64.8-38.6173-63.30000113.4I773 F777 L793 P794 F795 I800 Y801I773-S797 WeakPolarHBondContact CG2-OG 3.24Å; F777-S797 WeakPolarHBondContact CE1-OG 3.17Å; F777-S797 VanDerWaalsContact CZ-OG 3.28Å; F777-S797 WeakPolarHBondContact CZ-OG 3.24Å; L793-S797 PolarHBondContact O-N 3.37Å; L793-S797 PolarHBondContact O-OG 2.71Å; P794-S797 PolarHBondContact O-N 2.69Å; F795-S797 VanDerWaalsContact C-N 3.27Å; F795-S797 PolarHBondContact O-N 2.92Å; S797-I800 PolarHBondContact O-N 3.16Å; S797-Y801 WeakPolarHBondContact O-CD2 3.43Å; S797-Y801 PolarHBondContact O-N 3.42Å; S797-Y801 VanDerWaalsContact O-N 3.08Å
798W87.3Confident83.8Confident0 Ų018.1 Ų18.10%08%0.081CC..Hα-helixtrans-63.7-42.4175.4175.277.2000111.8L532 P794 F795 I800 Y801 W802 Y857 F873 V877 F880L532-W798 HydrophobicContact CD1-CH2 4.4Å; L532-W798 HydrophobicContact CD1-CZ3 4.18Å; P794-W798 PolarHBondContact O-N 3.15Å; F795-W798 AromaticContact CD2-CE3 3.85Å; F795-W798 HydrophobicContact CD2-CE3 3.85Å; F795-W798 HydrophobicContact CD2-CZ3 4.43Å; F795-W798 AromaticContact CE2-CE3 3.6Å; F795-W798 HydrophobicContact CE2-CE3 3.6Å; F795-W798 AromaticContact CE2-CZ3 3.73Å; F795-W798 HydrophobicContact CE2-CZ3 3.73Å; F795-W798 WeakPolarHBondContact O-CB 3.32Å; F795-W798 PolarHBondContact O-N 3.37Å; F795-W798 VanDerWaalsContact O-N 3.08Å; W798-I800 VanDerWaalsContact C-N 3.28Å; W798-I800 PolarHBondContact O-N 3.36Å; W798-Y801 PolarHBondContact O-N 3.23Å; W798-W802 HydrophobicContact CD2-CB 4.5Å; W798-W802 HydrophobicContact CH2-CB 4.46Å; W798-W802 HydrophobicContact CH2-CD2 4.35Å; W798-W802 HydrophobicContact CH2-CG 4.18Å; W798-W802 HydrophobicContact CZ2-CB 4.15Å; W798-W802 AromaticContact CZ2-CD2 3.94Å; W798-W802 HydrophobicContact CZ2-CD2 3.94Å; W798-W802 AromaticContact CZ2-CE3 3.99Å; W798-W802 HydrophobicContact CZ2-CE3 3.99Å; W798-W802 HydrophobicContact CZ2-CG 4.01Å; W798-W802 VanDerWaalsContact O-CB 3.27Å; W798-W802 WeakPolarHBondContact O-CB 3.37Å; W798-W802 PolarHBondContact O-N 2.77Å; W798-Y857 HydrophobicContact CB-CD2 4.33Å; W798-Y857 HydrophobicContact CB-CE1 4.06Å; W798-Y857 HydrophobicContact CB-CE2 3.76Å; W798-Y857 AromaticContact CD1-CD1 3.93Å; W798-Y857 AromaticContact CD1-CE1 3.9Å; W798-Y857 HydrophobicContact CG-CE1 4.36Å; W798-Y857 VanDerWaalsContact N-CE2 3.35Å; W798-F873 HydrophobicContact CB-CE2 4.06Å; W798-F873 HydrophobicContact CB-CZ 3.62Å; W798-F873 AromaticContact CD1-CZ 3.85Å; W798-F873 HydrophobicContact CD2-CZ 4.41Å; W798-F873 HydrophobicContact CG-CE2 4.3Å; W798-F873 AromaticContact CG-CZ 3.65Å; W798-F873 HydrophobicContact CG-CZ 3.65Å; W798-V877 HydrophobicContact CD2-CG2 3.86Å; W798-V877 HydrophobicContact CG-CG2 4.08Å; W798-V877 HydrophobicContact CZ2-CB 4.15Å; W798-V877 HydrophobicContact CZ2-CG1 3.74Å; W798-V877 HydrophobicContact CZ2-CG2 4.04Å; W798-F880 HydrophobicContact CH2-CB 3.65Å; W798-F880 AromaticContact CH2-CD2 3.97Å; W798-F880 HydrophobicContact CH2-CD2 3.97Å; W798-F880 HydrophobicContact CH2-CG 4.06Å; W798-F880 HydrophobicContact CZ3-CB 4.4Å; W798-F880 AromaticContact CZ3-CD2 3.91Å; W798-F880 HydrophobicContact CZ3-CD2 3.91Å; W798-F880 HydrophobicContact CZ3-CG 4.33Å
799L90.5Very high85.7Confident0 Ų016 Ų160%07%0.068CC..Hα-helixtrans-57.1-42.2175.3-71.5170.4000111.6L532 L559 F795 C796 W802 T803L532-L799 HydrophobicContact CD1-CD2 3.42Å; L532-L799 VanDerWaalsContact CD1-CD2 3.42Å; L532-L799 HydrophobicContact CG-CD2 4.34Å; L559-L799 HydrophobicContact CD2-CB 3.99Å; F795-L799 HydrophobicContact CD1-CD1 4.11Å; F795-L799 HydrophobicContact CE1-CD1 3.65Å; F795-L799 HydrophobicContact CE1-CG 4.22Å; F795-L799 HydrophobicContact CE2-CD2 4.28Å; F795-L799 HydrophobicContact CE2-CG 4.23Å; F795-L799 HydrophobicContact CZ-CD1 3.9Å; F795-L799 HydrophobicContact CZ-CD2 4.01Å; F795-L799 HydrophobicContact CZ-CG 4.02Å; F795-L799 WeakPolarHBondContact O-CG 3.36Å; F795-L799 PolarHBondContact O-N 3.29Å; C796-L799 PolarHBondContact O-N 2.7Å; L799-W802 PolarHBondContact O-N 2.74Å; L799-T803 WeakPolarHBondContact O-CB 3.35Å; L799-T803 VanDerWaalsContact O-CG2 3.3Å; L799-T803 WeakPolarHBondContact O-CG2 3.47Å; L799-T803 PolarHBondContact O-N 2.89Å; L799-T803 PolarHBondContact O-OG1 3.19Å
800I92.5Very high87.2Confident2 Ų215.9 Ų15.91%0.017%0.067CC..Hα-helixtrans-61.7-51175.5-65167.2000110.2L559 T563 I769 I773 C796 S797 W798 W802 T803 Q804L559-I800 HydrophobicContact CD2-CG1 3.86Å; L559-I800 HydrophobicContact CG-CG1 4.03Å; T563-I800 HydrophobicContact CG2-CD1 3.87Å; I769-I800 HydrophobicContact CG2-CG2 3.92Å; I773-I800 HydrophobicContact CD1-CD1 4.23Å; C796-I800 WeakPolarHBondContact O-CG1 3.46Å; C796-I800 PolarHBondContact O-N 3.03Å; S797-I800 PolarHBondContact O-N 3.16Å; W798-I800 VanDerWaalsContact C-N 3.28Å; W798-I800 PolarHBondContact O-N 3.36Å; I800-W802 VanDerWaalsContact C-N 3.34Å; I800-W802 PolarHBondContact O-N 3.38Å; I800-T803 PolarHBondContact O-N 3.04Å; I800-T803 PolarHBondContact O-OG1 3.36Å; I800-Q804 HydrophobicContact CG2-CG 4.43Å; I800-Q804 VanDerWaalsContact O-CG 3.28Å; I800-Q804 WeakPolarHBondContact O-CG 3.25Å; I800-Q804 PolarHBondContact O-N 3.21Å
801Y93Very high88.6Confident0 Ų010.6 Ų10.60%05%0.047CC..Hα-helixtrans-66.2-34.7-179.1-88.1-107.4000113E766 I769 I773 S797 W798 Q804 G805 W853 A856 Y857 F861E766-Y801 HydrophobicContact CG-CE1 4.27Å; E766-Y801 PolarHBondContact OE1-OH 2.92Å; I769-Y801 HydrophobicContact CG2-CD2 4.46Å; I769-Y801 HydrophobicContact CG2-CE2 3.8Å; I773-Y801 HydrophobicContact CD1-CD2 3.96Å; I773-Y801 HydrophobicContact CD1-CE2 3.59Å; S797-Y801 WeakPolarHBondContact O-CD2 3.43Å; S797-Y801 PolarHBondContact O-N 3.42Å; S797-Y801 VanDerWaalsContact O-N 3.08Å; W798-Y801 PolarHBondContact O-N 3.23Å; Y801-Q804 PolarHBondContact O-N 3.28Å; Y801-G805 PolarHBondContact O-N 3.38Å; Y801-W853 AromaticContact CD1-CE3 3.6Å; Y801-W853 HydrophobicContact CD1-CE3 3.6Å; Y801-W853 HydrophobicContact CD1-CZ3 4.28Å; Y801-W853 WeakPolarHBondContact CD1-O 3.37Å; Y801-W853 AromaticContact CE1-CE3 3.84Å; Y801-W853 HydrophobicContact CE1-CE3 3.84Å; Y801-W853 HydrophobicContact CE1-CZ3 4.17Å; Y801-W853 HydrophobicContact CG-CE3 4.18Å; Y801-W853 WeakPolarHBondContact O-CB 3.44Å; Y801-A856 HydrophobicContact CD1-CB 4.28Å; Y801-A856 HydrophobicContact CE1-CB 3.7Å; Y801-Y857 HydrophobicContact CD2-CD2 4.28Å; Y801-Y857 HydrophobicContact CG-CD2 4.2Å; Y801-Y857 HydrophobicContact CG-CG 4.42Å; Y801-F861 HydrophobicContact CD2-CE2 4.46Å; Y801-F861 AromaticContact CE2-CE2 3.65Å; Y801-F861 HydrophobicContact CE2-CE2 3.65Å; Y801-F861 HydrophobicContact CE2-CZ 4.41Å; Y801-F861 AromaticContact CZ-CE2 3.71Å
802W93.2Very high89.8Confident7 Ų76.6 Ų6.63%0.0273%0.032CC..Hα-helixtrans-64.7-49.1175179-103.4000111.6W552 W798 L799 I800 Q804 G805 W806 Q854 I881 F915W552-W802 AromaticContact CH2-NE1 3.75Å; W798-W802 HydrophobicContact CD2-CB 4.5Å; W798-W802 HydrophobicContact CH2-CB 4.46Å; W798-W802 HydrophobicContact CH2-CD2 4.35Å; W798-W802 HydrophobicContact CH2-CG 4.18Å; W798-W802 HydrophobicContact CZ2-CB 4.15Å; W798-W802 AromaticContact CZ2-CD2 3.94Å; W798-W802 HydrophobicContact CZ2-CD2 3.94Å; W798-W802 AromaticContact CZ2-CE3 3.99Å; W798-W802 HydrophobicContact CZ2-CE3 3.99Å; W798-W802 HydrophobicContact CZ2-CG 4.01Å; W798-W802 VanDerWaalsContact O-CB 3.27Å; W798-W802 WeakPolarHBondContact O-CB 3.37Å; W798-W802 PolarHBondContact O-N 2.77Å; L799-W802 PolarHBondContact O-N 2.74Å; I800-W802 VanDerWaalsContact C-N 3.34Å; I800-W802 PolarHBondContact O-N 3.38Å; W802-Q804 VanDerWaalsContact C-N 3.33Å; W802-Q804 PolarHBondContact O-N 2.84Å; W802-G805 PolarHBondContact O-N 3.24Å; W802-W806 AromaticContact CD2-NE1 3.93Å; W802-W806 AromaticContact CE2-CD1 3.7Å; W802-W806 AromaticContact CE2-NE1 3.25Å; W802-W806 HydrophobicContact CH2-CZ2 4.36Å; W802-W806 AromaticContact CH2-NE1 3.55Å; W802-W806 AromaticContact CZ2-CD1 3.98Å; W802-W806 HydrophobicContact CZ2-CZ2 4.34Å; W802-W806 AromaticContact CZ2-NE1 3.06Å; W802-W806 AromaticContact NE1-CD1 3.74Å; W802-W806 AromaticContact NE1-NE1 3.67Å; W802-W806 PolarHBondContact O-N 3.12Å; W802-Q854 HydrophobicContact CE3-CG 4.27Å; W802-Q854 HydrophobicContact CZ3-CG 4.48Å; W802-I881 HydrophobicContact CH2-CG1 3.63Å; W802-I881 HydrophobicContact CZ2-CG1 4.44Å; W802-I881 HydrophobicContact CZ3-CD1 4.31Å; W802-I881 HydrophobicContact CZ3-CG1 3.84Å; W802-F915 AromaticContact CH2-CE1 3.96Å; W802-F915 HydrophobicContact CH2-CE1 3.96Å; W802-F915 AromaticContact CH2-CZ 3.62Å; W802-F915 HydrophobicContact CH2-CZ 3.62Å; W802-F915 HydrophobicContact CZ3-CZ 4.05Å
803T95.1Very high90.5Very high0 Ų05.7 Ų5.70%03%0.032CC..Hα-helixtrans-62.2-40.1175.553.90000111.8W552 F555 L559 L799 I800 G805 W806 V807W552-T803 HydrophobicContact CE3-CG2 4.26Å; W552-T803 HydrophobicContact CZ3-CG2 4.01Å; F555-T803 HydrophobicContact CD1-CG2 3.55Å; F555-T803 HydrophobicContact CD2-CG2 4.47Å; F555-T803 HydrophobicContact CE1-CG2 3.36Å; F555-T803 HydrophobicContact CE2-CG2 4.29Å; F555-T803 HydrophobicContact CG-CG2 4.11Å; F555-T803 HydrophobicContact CZ-CG2 3.74Å; L559-T803 HydrophobicContact CD2-CG2 4.14Å; L799-T803 WeakPolarHBondContact O-CB 3.35Å; L799-T803 VanDerWaalsContact O-CG2 3.3Å; L799-T803 WeakPolarHBondContact O-CG2 3.47Å; L799-T803 PolarHBondContact O-N 2.89Å; L799-T803 PolarHBondContact O-OG1 3.19Å; I800-T803 PolarHBondContact O-N 3.04Å; I800-T803 PolarHBondContact O-OG1 3.36Å; T803-G805 VanDerWaalsContact C-N 3.32Å; T803-G805 PolarHBondContact O-N 3.18Å; T803-W806 PolarHBondContact O-N 2.72Å; T803-V807 WeakPolarHBondContact O-CG2 3.5Å; T803-V807 PolarHBondContact O-N 3.19Å
804Q96.3Very high91.3Very high0 Ų05.5 Ų5.50%03%0.031CC..Hα-helixtrans-63.5-37.9175-68-34.1-62.500112.8S556 I769 I800 Y801 W802 W806 V807 S808 W853S556-Q804 PolarHBondContact OG-NE2 3.28Å; S556-Q804 PolarHBondContact OG-OE1 2.91Å; I769-Q804 HydrophobicContact CD1-CG 3.71Å; I800-Q804 HydrophobicContact CG2-CG 4.43Å; I800-Q804 VanDerWaalsContact O-CG 3.28Å; I800-Q804 WeakPolarHBondContact O-CG 3.25Å; I800-Q804 PolarHBondContact O-N 3.21Å; Y801-Q804 PolarHBondContact O-N 3.28Å; W802-Q804 VanDerWaalsContact C-N 3.33Å; W802-Q804 PolarHBondContact O-N 2.84Å; Q804-W806 PolarHBondContact O-N 3.45Å; Q804-V807 PolarHBondContact O-N 3.46Å; Q804-S808 WeakPolarHBondContact O-CB 3.42Å; Q804-S808 PolarHBondContact O-N 2.89Å; Q804-S808 PolarHBondContact O-OG 3.4Å; Q804-W853 HydrophobicContact CB-CD2 3.45Å; Q804-W853 VanDerWaalsContact CB-CD2 3.45Å; Q804-W853 HydrophobicContact CB-CE3 3.48Å; Q804-W853 VanDerWaalsContact CB-CE3 3.48Å; Q804-W853 HydrophobicContact CB-CG 4.1Å; Q804-W853 HydrophobicContact CB-CH2 3.82Å; Q804-W853 HydrophobicContact CB-CZ2 3.76Å; Q804-W853 HydrophobicContact CB-CZ3 3.67Å; Q804-W853 HydrophobicContact CG-CD2 4.4Å; Q804-W853 HydrophobicContact CG-CE3 4Å; Q804-W853 HydrophobicContact CG-CH2 3.8Å; Q804-W853 HydrophobicContact CG-CZ2 4.17Å; Q804-W853 HydrophobicContact CG-CZ3 3.69Å
805G95.9Very high91.8Very high1 Ų15.6 Ų5.61%0.013%0.031CC..Hα-helixtrans-53.4-53174.700000112.3Y801 W802 T803 S808 F809 G849 P850Y801-G805 PolarHBondContact O-N 3.38Å; W802-G805 PolarHBondContact O-N 3.24Å; T803-G805 VanDerWaalsContact C-N 3.32Å; T803-G805 PolarHBondContact O-N 3.18Å; G805-S808 PolarHBondContact O-N 2.98Å; G805-F809 PolarHBondContact O-N 3.45Å; G805-G849 CarbonylContact O-C 3.56Å; G805-P850 VanDerWaalsContact O-CD 3.24Å; G805-P850 WeakPolarHBondContact O-CD 3.22Å
806W95.5Very high92Very high22 Ų225 Ų58%0.0833%0.03CC..Hα-helixtrans-69.5-36.1177.7-71.8107.9000113.2W552 W802 T803 Q804 S808 F809 F810 P850 F915W552-W806 HydrophobicContact CD2-CB 3.51Å; W552-W806 HydrophobicContact CD2-CG 4.11Å; W552-W806 AromaticContact CE2-CG 3.81Å; W552-W806 HydrophobicContact CE3-CB 3.81Å; W552-W806 HydrophobicContact CE3-CG 4.34Å; W552-W806 HydrophobicContact CG-CB 3.88Å; W552-W806 HydrophobicContact CH2-CB 4.4Å; W552-W806 AromaticContact CH2-CD1 3.59Å; W552-W806 HydrophobicContact CH2-CG 4.05Å; W552-W806 HydrophobicContact CZ2-CB 4.13Å; W552-W806 AromaticContact CZ2-CD1 3.72Å; W552-W806 HydrophobicContact CZ2-CD2 4.32Å; W552-W806 AromaticContact CZ2-CG 3.78Å; W552-W806 HydrophobicContact CZ2-CG 3.78Å; W552-W806 HydrophobicContact CZ3-CB 4.25Å; W552-W806 AromaticContact CZ3-CD1 3.94Å; W552-W806 HydrophobicContact CZ3-CG 4.32Å; W802-W806 AromaticContact CD2-NE1 3.93Å; W802-W806 AromaticContact CE2-CD1 3.7Å; W802-W806 AromaticContact CE2-NE1 3.25Å; W802-W806 HydrophobicContact CH2-CZ2 4.36Å; W802-W806 AromaticContact CH2-NE1 3.55Å; W802-W806 AromaticContact CZ2-CD1 3.98Å; W802-W806 HydrophobicContact CZ2-CZ2 4.34Å; W802-W806 AromaticContact CZ2-NE1 3.06Å; W802-W806 AromaticContact NE1-CD1 3.74Å; W802-W806 AromaticContact NE1-NE1 3.67Å; W802-W806 PolarHBondContact O-N 3.12Å; T803-W806 PolarHBondContact O-N 2.72Å; Q804-W806 PolarHBondContact O-N 3.45Å; W806-S808 VanDerWaalsContact C-N 3.3Å; W806-S808 PolarHBondContact O-N 3.27Å; W806-F809 HydrophobicContact CE3-CB 4.23Å; W806-F809 HydrophobicContact CE3-CD1 4.17Å; W806-F809 HydrophobicContact CE3-CG 4.17Å; W806-F809 HydrophobicContact CZ3-CD1 4.3Å; W806-F809 HydrophobicContact CZ3-CG 4.31Å; W806-F809 VanDerWaalsContact O-CB 3.32Å; W806-F809 WeakPolarHBondContact O-CB 3.48Å; W806-F809 PolarHBondContact O-N 3.46Å; W806-F810 HydrophobicContact CE3-CE2 4.5Å; W806-F810 WeakPolarHBondContact O-CD2 3.38Å; W806-F810 PolarHBondContact O-N 2.96Å; W806-P850 HydrophobicContact CD2-CG 4.15Å; W806-P850 HydrophobicContact CE3-CG 4.19Å; W806-P850 HydrophobicContact CZ3-CG 4.41Å; W806-F915 HydrophobicContact CH2-CD1 4.35Å; W806-F915 HydrophobicContact CH2-CD2 4Å; W806-F915 HydrophobicContact CH2-CE1 4.38Å; W806-F915 HydrophobicContact CH2-CE2 4.01Å; W806-F915 HydrophobicContact CH2-CG 4.15Å; W806-F915 HydrophobicContact CH2-CZ 4.2Å; W806-F915 HydrophobicContact CZ2-CD1 4.24Å; W806-F915 HydrophobicContact CZ2-CD2 4.23Å; W806-F915 AromaticContact CZ2-CE1 3.84Å; W806-F915 HydrophobicContact CZ2-CE1 3.84Å; W806-F915 AromaticContact CZ2-CE2 3.81Å; W806-F915 HydrophobicContact CZ2-CE2 3.81Å; W806-F915 HydrophobicContact CZ2-CG 4.42Å; W806-F915 AromaticContact CZ2-CZ 3.6Å; W806-F915 HydrophobicContact CZ2-CZ 3.6Å
807V96.2Very high91.8Very high2 Ų25.7 Ų5.71%0.0123%0.034CC..Hα-helixtrans-58.8-44.3172.3164.80000111.1W552 Y553 T803 Q804 F810 Q811W552-V807 HydrophobicContact CB-CG2 4Å; W552-V807 WeakPolarHBondContact O-CG2 3.44Å; Y553-V807 HydrophobicContact CD1-CG1 4.03Å; Y553-V807 HydrophobicContact CD1-CG2 4.1Å; Y553-V807 HydrophobicContact CE1-CG1 4.04Å; T803-V807 WeakPolarHBondContact O-CG2 3.5Å; T803-V807 PolarHBondContact O-N 3.19Å; Q804-V807 PolarHBondContact O-N 3.46Å; V807-F810 PolarHBondContact O-N 3.33Å; V807-Q811 HydrophobicContact CG1-CG 4.14Å; V807-Q811 WeakPolarHBondContact O-CB 3.46Å; V807-Q811 WeakPolarHBondContact O-CG 3.42Å; V807-Q811 PolarHBondContact O-N 3.26Å
808S96.4Very high91.3Very high0 Ų07.3 Ų7.30%04%0.041CC..Hα-helixtrans-65.8-35.8176.5-69.30000112.9I762 Q804 G805 W806 F810 Q811 Q812 W853I762-S808 WeakPolarHBondContact CD1-OG 3.39Å; Q804-S808 WeakPolarHBondContact O-CB 3.42Å; Q804-S808 PolarHBondContact O-N 2.89Å; Q804-S808 PolarHBondContact O-OG 3.4Å; G805-S808 PolarHBondContact O-N 2.98Å; W806-S808 VanDerWaalsContact C-N 3.3Å; W806-S808 PolarHBondContact O-N 3.27Å; S808-F810 VanDerWaalsContact C-N 3.33Å; S808-F810 PolarHBondContact O-N 3.48Å; S808-Q811 PolarHBondContact O-N 3.11Å; S808-Q812 PolarHBondContact O-N 3.41Å; S808-W853 PolarHBondContact OG-NE1 3.14Å
809F95.7Very high90.6Very high7 Ų77.7 Ų7.73%0.0314%0.043CC..Hα-helixtrans-54-48.8171.8175-94.8000111.8G805 W806 Q812 N814 T846 Y847 P850 Y911G805-F809 PolarHBondContact O-N 3.45Å; W806-F809 HydrophobicContact CE3-CB 4.23Å; W806-F809 HydrophobicContact CE3-CD1 4.17Å; W806-F809 HydrophobicContact CE3-CG 4.17Å; W806-F809 HydrophobicContact CZ3-CD1 4.3Å; W806-F809 HydrophobicContact CZ3-CG 4.31Å; W806-F809 VanDerWaalsContact O-CB 3.32Å; W806-F809 WeakPolarHBondContact O-CB 3.48Å; W806-F809 PolarHBondContact O-N 3.46Å; F809-Q812 WeakPolarHBondContact O-CB 3.29Å; F809-Q812 PolarHBondContact O-N 3.14Å; F809-N814 HydrophobicContact CD1-CB 3.97Å; F809-N814 HydrophobicContact CD2-CB 4.01Å; F809-N814 HydrophobicContact CE1-CB 3.56Å; F809-N814 HydrophobicContact CE2-CB 3.61Å; F809-N814 HydrophobicContact CG-CB 4.18Å; F809-N814 HydrophobicContact CZ-CB 3.37Å; F809-N814 WeakPolarHBondContact O-CB 3.32Å; F809-N814 PolarHBondContact O-ND2 3.27Å; F809-T846 WeakPolarHBondContact CD2-O 3.39Å; F809-T846 HydrophobicContact CE2-CG2 4.05Å; F809-T846 WeakPolarHBondContact CE2-O 3.21Å; F809-Y847 HydrophobicContact CD2-CD1 4.39Å; F809-Y847 HydrophobicContact CE2-CD1 4.06Å; F809-Y847 HydrophobicContact CE2-CE1 4.09Å; F809-P850 HydrophobicContact CB-CG 4.36Å; F809-Y911 HydrophobicContact CZ-CD1 4.41Å; F809-Y911 HydrophobicContact CZ-CE1 4.33Å
810F94.8Very high90.2Very high6 Ų69.1 Ų9.13%0.0265%0.052CC..Hα-helixtrans-76.6-30.8178.8-66.5-71.6000113E548 H549 W552 Y553 T601 W806 V807 S808 Q812 G813 N814E548-F810 HydrophobicContact CB-CZ 4.07Å; E548-F810 HydrophobicContact CG-CE2 4.36Å; E548-F810 HydrophobicContact CG-CZ 3.94Å; H549-F810 HydrophobicContact CB-CB 3.86Å; H549-F810 HydrophobicContact CB-CD1 3.46Å; H549-F810 VanDerWaalsContact CB-CD1 3.46Å; H549-F810 HydrophobicContact CB-CD2 4.06Å; H549-F810 HydrophobicContact CB-CE1 3.98Å; H549-F810 HydrophobicContact CB-CG 3.51Å; W552-F810 HydrophobicContact CB-CD2 4.44Å; W552-F810 AromaticContact CD1-CD2 3.88Å; W552-F810 AromaticContact CD1-CE2 3.25Å; W552-F810 HydrophobicContact CG-CD2 4.39Å; W552-F810 HydrophobicContact CG-CE2 4.11Å; W552-F810 AromaticContact NE1-CE2 3.76Å; Y553-F810 HydrophobicContact CE1-CB 4.24Å; Y553-F810 WeakPolarHBondContact OH-CB 3.44Å; T601-F810 WeakPolarHBondContact CG2-O 3.31Å; W806-F810 HydrophobicContact CE3-CE2 4.5Å; W806-F810 WeakPolarHBondContact O-CD2 3.38Å; W806-F810 PolarHBondContact O-N 2.96Å; V807-F810 PolarHBondContact O-N 3.33Å; S808-F810 VanDerWaalsContact C-N 3.33Å; S808-F810 PolarHBondContact O-N 3.48Å; F810-Q812 PolarHBondContact O-N 2.92Å; F810-G813 PolarHBondContact O-N 2.84Å; F810-N814 WeakPolarHBondContact CD1-O 3.48Å
811Q94.7Very high89.8Confident1 Ų110.6 Ų10.61%0.0056%0.06CC..Hα-helixtrans-65.8-24.8174.2-72.2170.8-22.900112.8Y553 D591 L595 H599 L758 V807 S808 G813Y553-Q811 HydrophobicContact CE1-CG 4.06Å; D591-Q811 PolarHBondContact OD1-NE2 2.81Å; L595-Q811 HydrophobicContact CB-CG 4.21Å; L595-Q811 VanDerWaalsContact CB-NE2 3.27Å; H599-Q811 PolarHBondContact ND1-O 3.27Å; L758-Q811 HydrophobicContact CD1-CB 3.77Å; V807-Q811 HydrophobicContact CG1-CG 4.14Å; V807-Q811 WeakPolarHBondContact O-CB 3.46Å; V807-Q811 WeakPolarHBondContact O-CG 3.42Å; V807-Q811 PolarHBondContact O-N 3.26Å; S808-Q811 PolarHBondContact O-N 3.11Å; Q811-G813 PolarHBondContact O-N 3.13Å
812Q92.9Very high89.3Confident10 Ų1011.9 Ų11.95%0.0477%0.067CC..THydrogen-bonded Turntrans-70.6-11.7171-173.3169.2-53.400113.4I755 L758 S808 F809 F810 N814 Y845 S848I755-Q812 HydrophobicContact CD1-CG 4.09Å; L758-Q812 HydrophobicContact CD2-CB 3.93Å; L758-Q812 HydrophobicContact CD2-CG 4.37Å; S808-Q812 PolarHBondContact O-N 3.41Å; F809-Q812 WeakPolarHBondContact O-CB 3.29Å; F809-Q812 PolarHBondContact O-N 3.14Å; F810-Q812 PolarHBondContact O-N 2.92Å; Q812-N814 PolarHBondContact NE2-ND2 3.48Å; Q812-Y845 PolarHBondContact NE2-O 3.32Å; Q812-S848 PolarHBondContact OE1-OG 3.44Å
813G89.8Confident88.6Confident18 Ų1815.3 Ų15.319%0.1869%0.085CC..THydrogen-bonded Turntrans97-4.1-177.700000113.9F810 Q811F810-G813 PolarHBondContact O-N 2.84Å; Q811-G813 PolarHBondContact O-N 3.13Å
814N91.1Very high87.8Confident3 Ų317.3 Ų17.32%0.01610%0.099CC..  trans-64.3147.4176-55.9-60.6000110.7F809 F810 Q812 T846F809-N814 HydrophobicContact CD1-CB 3.97Å; F809-N814 HydrophobicContact CD2-CB 4.01Å; F809-N814 HydrophobicContact CE1-CB 3.56Å; F809-N814 HydrophobicContact CE2-CB 3.61Å; F809-N814 HydrophobicContact CG-CB 4.18Å; F809-N814 HydrophobicContact CZ-CB 3.37Å; F809-N814 WeakPolarHBondContact O-CB 3.32Å; F809-N814 PolarHBondContact O-ND2 3.27Å; F810-N814 WeakPolarHBondContact CD1-O 3.48Å; Q812-N814 PolarHBondContact NE2-ND2 3.48Å; N814-T846 PolarHBondContact ND2-O 3.01Å
815S87.9Confident87.4Confident5 Ų517.3 Ų17.34%0.03510%0.099CC..  trans-143.8-165176.6810000110.2S817 T820 Y911S815-S817 VanDerWaalsContact C-N 3.32Å; S815-S817 PolarHBondContact OG-N 2.77Å; S815-S817 VanDerWaalsContact OG-N 3.07Å; S815-T820 WeakPolarHBondContact CA-OG1 3.48Å; S815-T820 WeakPolarHBondContact CB-OG1 3.2Å; S815-T820 PolarHBondContact N-OG1 2.89Å; S815-T820 WeakPolarHBondContact OG-CB 3.21Å; S815-T820 WeakPolarHBondContact OG-CG2 3.27Å; S815-T820 PolarHBondContact OG-OG1 2.94Å; S815-Y911 PolarHBondContact O-OH 3.02Å
816L84.5Confident86.9Confident11 Ų1117.4 Ų17.46%0.05810%0.099CC..SBendtrans-71.4-24.9172.3-178.961.7000113.7A545 E546 V904 P907 K908 Y911A545-L816 HydrophobicContact CB-CD2 4.24Å; E546-L816 HydrophobicContact CG-CD2 4.49Å; L816-V904 HydrophobicContact CD2-CB 4.06Å; L816-V904 HydrophobicContact CD2-CG1 3.47Å; L816-V904 VanDerWaalsContact CD2-CG1 3.47Å; L816-V904 HydrophobicContact CD2-CG2 4.47Å; L816-P907 HydrophobicContact CD1-CB 4.25Å; L816-K908 HydrophobicContact CD1-CB 3.36Å; L816-K908 HydrophobicContact CD1-CD 3.83Å; L816-K908 HydrophobicContact CD1-CG 4.14Å; L816-K908 VanDerWaalsContact CD1-N 3.3Å; L816-Y911 WeakPolarHBondContact O-CE2 3.4Å
817S79.1Confident86.3Confident20 Ų2019.3 Ų19.314%0.1411%0.107CC..SBendtrans-78140.1-176.8-175.80000111.7S815 S819 T820 Y911S815-S817 VanDerWaalsContact C-N 3.32Å; S815-S817 PolarHBondContact OG-N 2.77Å; S815-S817 VanDerWaalsContact OG-N 3.07Å; S817-S819 PolarHBondContact O-N 2.9Å; S817-S819 PolarHBondContact OG-N 3.01Å; S817-S819 PolarHBondContact OG-OG 2.98Å; S817-T820 PolarHBondContact O-N 3.1Å; S817-T820 VanDerWaalsContact O-N 3.09Å; S817-T820 PolarHBondContact O-OG1 3.25Å; S817-Y911 PolarHBondContact O-OH 3.48Å
818F75.4Confident85.9Confident39 Ų3919.6 Ų19.617%0.17111%0.109CC..G310 helixtrans-61.6-28.9171.1-67.8-66.7000112.9F116 T820 I821 P907 L910 Y911F116-F818 HydrophobicContact CE1-CE2 4.41Å; F116-F818 HydrophobicContact CE1-CZ 4.3Å; F116-F818 HydrophobicContact CE2-CD2 4.37Å; F116-F818 AromaticContact CE2-CE2 3.5Å; F116-F818 HydrophobicContact CE2-CE2 3.5Å; F116-F818 VanDerWaalsContact CE2-CE2 3.5Å; F116-F818 HydrophobicContact CE2-CZ 4.19Å; F116-F818 HydrophobicContact CZ-CD2 4.46Å; F116-F818 AromaticContact CZ-CE2 3.27Å; F116-F818 HydrophobicContact CZ-CE2 3.27Å; F116-F818 AromaticContact CZ-CZ 3.48Å; F116-F818 HydrophobicContact CZ-CZ 3.48Å; F116-F818 VanDerWaalsContact CZ-CZ 3.48Å; F818-T820 PolarHBondContact O-N 3.31Å; F818-T820 VanDerWaalsContact O-N 3.11Å; F818-I821 HydrophobicContact CD1-CD1 3.87Å; F818-I821 WeakPolarHBondContact O-CB 3.5Å; F818-I821 WeakPolarHBondContact O-CG1 3.24Å; F818-I821 PolarHBondContact O-N 3.03Å; F818-P907 HydrophobicContact CE2-CB 3.7Å; F818-P907 HydrophobicContact CE2-CG 3.94Å; F818-P907 HydrophobicContact CZ-CB 4.03Å; F818-L910 HydrophobicContact CE1-CD2 3.77Å; F818-L910 HydrophobicContact CZ-CB 4.3Å; F818-L910 HydrophobicContact CZ-CD2 3.62Å; F818-L910 HydrophobicContact CZ-CG 4.45Å; F818-Y911 HydrophobicContact CD1-CE2 4.02Å; F818-Y911 HydrophobicContact CE1-CD2 4.19Å; F818-Y911 AromaticContact CE1-CE2 3.86Å; F818-Y911 HydrophobicContact CE1-CE2 3.86Å; F818-Y911 HydrophobicContact CZ-CE2 4.4Å
819S71.3Confident85.6Confident7 Ų720 Ų205%0.04911%0.113CC..G310 helixtrans-64.1-15.417663.20000113.4S263 H264 E271 S817S263-S819 WeakPolarHBondContact CB-O 3.43Å; S263-S819 PolarHBondContact OG-O 3.03Å; H264-S819 WeakPolarHBondContact O-CA 3.33Å; H264-S819 WeakPolarHBondContact O-CB 3.41Å; E271-S819 WeakPolarHBondContact OE1-CB 3.39Å; S817-S819 PolarHBondContact O-N 2.9Å; S817-S819 PolarHBondContact OG-N 3.01Å; S817-S819 PolarHBondContact OG-OG 2.98Å
820T82.1Confident85.1Confident30 Ų3020.9 Ų20.918%0.18412%0.118CC..G310 helixtrans-87.6-4.817458.60000114.6M606 S815 S817 F818M606-T820 HydrophobicContact SD-CG2 4.41Å; S815-T820 WeakPolarHBondContact CA-OG1 3.48Å; S815-T820 WeakPolarHBondContact CB-OG1 3.2Å; S815-T820 PolarHBondContact N-OG1 2.89Å; S815-T820 WeakPolarHBondContact OG-CB 3.21Å; S815-T820 WeakPolarHBondContact OG-CG2 3.27Å; S815-T820 PolarHBondContact OG-OG1 2.94Å; S817-T820 PolarHBondContact O-N 3.1Å; S817-T820 VanDerWaalsContact O-N 3.09Å; S817-T820 PolarHBondContact O-OG1 3.25Å; F818-T820 PolarHBondContact O-N 3.31Å; F818-T820 VanDerWaalsContact O-N 3.11Å
821I84.1Confident84.4Confident34 Ų3425.8 Ų25.817%0.17414%0.136CC..SBendtrans-75.2126.5173.3-56.7-176.5000108.7F818 L823 L842 Y911F818-I821 HydrophobicContact CD1-CD1 3.87Å; F818-I821 WeakPolarHBondContact O-CB 3.5Å; F818-I821 WeakPolarHBondContact O-CG1 3.24Å; F818-I821 PolarHBondContact O-N 3.03Å; I821-L823 HydrophobicContact CG2-CD2 4.49Å; I821-L823 PolarHBondContact O-N 3.24Å; I821-L823 VanDerWaalsContact O-N 3.15Å; I821-L842 HydrophobicContact CG2-CD1 3.47Å; I821-L842 VanDerWaalsContact CG2-CD1 3.47Å; I821-L842 HydrophobicContact CG2-CD2 4.18Å; I821-L842 HydrophobicContact CG2-CG 4Å; I821-Y911 HydrophobicContact CD1-CE1 4.09Å; I821-Y911 WeakPolarHBondContact CD1-OH 3.4Å; I821-Y911 HydrophobicContact CG1-CE1 4.16Å; I821-Y911 WeakPolarHBondContact CG1-OH 3.26Å
822D82.2Confident83.4Confident27 Ų2732.3 Ų32.314%0.14417%0.166CC..  trans-79.894.2173.6-168.6-8.6000110.4S824 A825 L842 Y845D822-S824 PolarHBondContact O-N 3.44Å; D822-S824 WeakPolarHBondContact OD1-CB 3.45Å; D822-S824 PolarHBondContact OD1-N 3.35Å; D822-S824 PolarHBondContact OD1-OG 3.33Å; D822-A825 PolarHBondContact O-N 3.3Å; D822-L842 VanDerWaalsContact O-CD1 3.25Å; D822-L842 WeakPolarHBondContact O-CD1 3.32Å; D822-Y845 HydrophobicContact CB-CD1 4.29Å; D822-Y845 HydrophobicContact CB-CE1 3.65Å
823L78.8Confident82.3Confident78 Ų7834.2 Ų34.241%0.40818%0.175SC..G310 helixtrans-64.6-23.5178.5-66.4173.3000112.8I821 A825 A826 Y827 L842I821-L823 HydrophobicContact CG2-CD2 4.49Å; I821-L823 PolarHBondContact O-N 3.24Å; I821-L823 VanDerWaalsContact O-N 3.15Å; L823-A825 PolarHBondContact O-N 3.04Å; L823-A826 VanDerWaalsContact O-CB 3.26Å; L823-A826 WeakPolarHBondContact O-CB 3.37Å; L823-A826 PolarHBondContact O-N 2.87Å; L823-Y827 WeakPolarHBondContact O-CD2 3.23Å; L823-L842 HydrophobicContact CD2-CD1 4.48Å; L823-L842 HydrophobicContact CD2-CD2 3.96Å
824S79.8Confident81.8Confident43 Ų4337.8 Ų37.830%0.30119%0.187SC..G310 helixtrans-62.3-31.4-179.275.20000112.2D822 A826 Y827 V828D822-S824 PolarHBondContact O-N 3.44Å; D822-S824 WeakPolarHBondContact OD1-CB 3.45Å; D822-S824 PolarHBondContact OD1-N 3.35Å; D822-S824 PolarHBondContact OD1-OG 3.33Å; S824-A826 PolarHBondContact O-N 2.99Å; S824-Y827 PolarHBondContact O-N 3.37Å; S824-Y827 VanDerWaalsContact O-N 3.12Å; S824-V828 WeakPolarHBondContact O-CG2 3.38Å
825A87.3Confident81.1Confident0 Ų039.5 Ų39.50%020%0.198CC..G310 helixtrans-61.5-25.5176.700000113.4L750 D822 L823 Y827 Y845L750-A825 HydrophobicContact CB-CB 4.16Å; L750-A825 VanDerWaalsContact O-CA 3.29Å; L750-A825 WeakPolarHBondContact O-CA 3.27Å; L750-A825 WeakPolarHBondContact O-CB 3.35Å; D822-A825 PolarHBondContact O-N 3.3Å; L823-A825 PolarHBondContact O-N 3.04Å; A825-Y827 PolarHBondContact O-N 2.78Å; A825-Y845 HydrophobicContact CB-CD1 3.37Å; A825-Y845 HydrophobicContact CB-CD2 4.22Å; A825-Y845 HydrophobicContact CB-CE1 3.95Å; A825-Y845 HydrophobicContact CB-CG 3.52Å
826A85.2Confident81Confident2 Ų245.7 Ų45.72%0.01723%0.229CC..G310 helixtrans-70.6-20.7179.100000113L823 S824 A838 L842L823-A826 VanDerWaalsContact O-CB 3.26Å; L823-A826 WeakPolarHBondContact O-CB 3.37Å; L823-A826 PolarHBondContact O-N 2.87Å; S824-A826 PolarHBondContact O-N 2.99Å; A826-A838 HydrophobicContact CB-CB 4.09Å; A826-A838 WeakPolarHBondContact O-CA 3.18Å; A826-L842 HydrophobicContact CB-CB 3.99Å; A826-L842 HydrophobicContact CB-CD1 4.35Å
827Y83.9Confident81.2Confident62 Ų6248.7 Ų48.724%0.24325%0.245CC..THydrogen-bonded Turntrans-115.70.2-166.7-59.4-61.9000114.3F169 L823 S824 A825 G829 L830 H833 A838F169-Y827 AromaticContact CD1-CE1 3.93Å; F169-Y827 HydrophobicContact CD1-CE1 3.93Å; F169-Y827 AromaticContact CD1-CZ 3.93Å; L823-Y827 WeakPolarHBondContact O-CD2 3.23Å; S824-Y827 PolarHBondContact O-N 3.37Å; S824-Y827 VanDerWaalsContact O-N 3.12Å; A825-Y827 PolarHBondContact O-N 2.78Å; Y827-G829 PolarHBondContact O-N 3.08Å; Y827-L830 HydrophobicContact CD1-CD1 4.49Å; Y827-L830 PolarHBondContact O-N 3.1Å; Y827-L830 VanDerWaalsContact O-N 3.1Å; Y827-H833 AromaticContact CE1-ND1 3.4Å; Y827-H833 WeakPolarHBondContact CE1-ND1 3.11Å; Y827-H833 AromaticContact CZ-ND1 3.86Å; Y827-H833 PolarHBondContact OH-ND1 3.21Å; Y827-A838 HydrophobicContact CD1-CB 4.46Å; Y827-A838 HydrophobicContact CE1-CB 3.97Å
828V87.8Confident81.5Confident8 Ų847.9 Ų47.95%0.04824%0.24CC..THydrogen-bonded Turntrans-63.6111-177.3-176.60000111.1Y675 A691 Y695 L749 L750 S824Y675-V828 HydrophobicContact CE1-CG1 4.33Å; Y675-V828 HydrophobicContact CE2-CG1 4.38Å; A691-V828 HydrophobicContact CB-CG1 3.85Å; Y695-V828 VanDerWaalsContact CE2-O 3.27Å; Y695-V828 WeakPolarHBondContact CE2-O 3.37Å; Y695-V828 PolarHBondContact OH-O 3.2Å; L749-V828 HydrophobicContact CD1-CG1 4.12Å; L749-V828 HydrophobicContact CD2-CG1 4.17Å; L749-V828 HydrophobicContact CG-CG1 3.78Å; L750-V828 HydrophobicContact CD2-CB 4.11Å; L750-V828 HydrophobicContact CD2-CG2 4.4Å; S824-V828 WeakPolarHBondContact O-CG2 3.38Å
829G88.7Confident82Confident8 Ų847.8 Ų47.88%0.08225%0.249CC..THydrogen-bonded Turntrans90.73.517900000115.9R692 Y827R692-G829 PolarHBondContact NE-O 2.99Å; R692-G829 PolarHBondContact NH2-O 3.42Å; Y827-G829 PolarHBondContact O-N 3.08Å
830L85.5Confident82.9Confident27 Ų2751.8 Ų51.814%0.14127%0.27CS..  trans-93.7140.7177.3-60.3-176.3000111.2Y827 I837Y827-L830 HydrophobicContact CD1-CD1 4.49Å; Y827-L830 PolarHBondContact O-N 3.1Å; Y827-L830 VanDerWaalsContact O-N 3.1Å; L830-I837 HydrophobicContact CD1-CG2 4.38Å; L830-I837 HydrophobicContact CD2-CG2 4.22Å
831R80Confident83.3Confident109 Ų10951.8 Ų51.841%0.41127%0.269SS..SBendtrans-91.3-30.1172.5-87.3-174.9-173.6172.41.2113.4Y170 E685 I688Y170-R831 WeakPolarHBondContact OH-CA 3.33Å; Y170-R831 PolarHBondContact OH-O 3.06Å; E685-R831 IonicContact OE1-CZ 3.48Å; E685-R831 IonicContact OE1-NE 3.48Å; E685-R831 PolarHBondContact OE1-NE 3.49Å; E685-R831 IonicContact OE1-NH2 2.82Å; E685-R831 PolarHBondContact OE1-NH2 3.45Å; E685-R831 IonicContact OE2-CZ 3.87Å; E685-R831 IonicContact OE2-NE 3.19Å; E685-R831 PolarHBondContact OE2-NE 3.28Å; E685-R831 IonicContact OE2-NH2 2.68Å; E685-R831 PolarHBondContact OE2-NH2 3.38Å; I688-R831 HydrophobicContact CD1-CG 3.78Å; I688-R831 HydrophobicContact CG2-CG 4.27Å
832H73.5Confident83.7Confident137 Ų13751.9 Ų51.963%0.63427%0.269SS*.SBendtrans-138.5152.8-177.6-54.6-62.3000108.3Q834H832-Q834 PolarHBondContact O-N 3.24Å
833H70.1Confident84.1Confident50 Ų5051.3 Ų51.323%0.23127%0.268CS..  trans-65.5126.5177.8178.889.6000111.7V123 F169 Y827V123-H833 PolarHBondContact O-NE2 3.46Å; F169-H833 HydrophobicContact CD1-CB 3.79Å; F169-H833 AromaticContact CD1-ND1 3.68Å; F169-H833 HydrophobicContact CD2-CB 3.35Å; F169-H833 HydrophobicContact CE1-CB 3.44Å; F169-H833 VanDerWaalsContact CE1-CB 3.44Å; F169-H833 AromaticContact CE1-CE1 3.97Å; F169-H833 AromaticContact CE1-CG 3.38Å; F169-H833 AromaticContact CE1-ND1 3.18Å; F169-H833 WeakPolarHBondContact CE1-ND1 3.23Å; F169-H833 HydrophobicContact CE2-CB 3.05Å; F169-H833 AromaticContact CE2-CG 3.87Å; F169-H833 HydrophobicContact CG-CB 3.8Å; F169-H833 HydrophobicContact CZ-CB 3.09Å; F169-H833 AromaticContact CZ-CD2 3.98Å; F169-H833 AromaticContact CZ-CG 3.34Å; F169-H833 AromaticContact CZ-ND1 3.68Å; Y827-H833 AromaticContact CE1-ND1 3.4Å; Y827-H833 WeakPolarHBondContact CE1-ND1 3.11Å; Y827-H833 AromaticContact CZ-ND1 3.86Å; Y827-H833 PolarHBondContact OH-ND1 3.21Å
834Q79.5Confident84.8Confident93 Ų9351.4 Ų51.444%0.43527%0.265SS..  trans-124.699.9174.5-69.4-173.5-27.500107.1H832 I836 I837 A838H832-Q834 PolarHBondContact O-N 3.24Å; Q834-I836 PolarHBondContact O-N 3.41Å; Q834-I836 VanDerWaalsContact O-N 3.12Å; Q834-I837 HydrophobicContact CB-CB 4.19Å; Q834-I837 HydrophobicContact CB-CG1 4.25Å; Q834-I837 PolarHBondContact O-N 3.4Å; Q834-I837 VanDerWaalsContact O-N 3.08Å; Q834-A838 WeakPolarHBondContact O-CB 3.3Å; Q834-A838 PolarHBondContact O-N 3.06Å
835P76.4Confident85.5Confident39 Ų3949.5 Ų49.525%0.25325%0.252SS..Hα-helixtrans-51-42.8-170.2-28.331.4000113.6V123 N124 G839V123-P835 HydrophobicContact CG1-CB 3.69Å; V123-P835 WeakPolarHBondContact O-CG 3.33Å; N124-P835 WeakPolarHBondContact OD1-CG 3.46Å; P835-G839 PolarHBondContact O-N 3.3Å
836I86.2Confident85.8Confident135 Ų13549.7 Ų49.769%0.69225%0.253SS*.Hα-helixtrans-67.7-48-178.3-59.1174000111Q834 L840Q834-I836 PolarHBondContact O-N 3.41Å; Q834-I836 VanDerWaalsContact O-N 3.12Å; I836-L840 HydrophobicContact CG2-CD1 4.2Å; I836-L840 WeakPolarHBondContact O-CB 3.35Å; I836-L840 VanDerWaalsContact O-CG 3.25Å; I836-L840 WeakPolarHBondContact O-CG 3.46Å; I836-L840 PolarHBondContact O-N 3.32Å
837I88.7Confident86.2Confident74 Ų7450 Ų5038%0.37925%0.254SS..Hα-helixtrans-69.5-44.5-177.9-55.9-164.1000110.3L830 Q834 G839 L840 L841L830-I837 HydrophobicContact CD1-CG2 4.38Å; L830-I837 HydrophobicContact CD2-CG2 4.22Å; Q834-I837 HydrophobicContact CB-CB 4.19Å; Q834-I837 HydrophobicContact CB-CG1 4.25Å; Q834-I837 PolarHBondContact O-N 3.4Å; Q834-I837 VanDerWaalsContact O-N 3.08Å; I837-G839 PolarHBondContact O-N 3.49Å; I837-L840 PolarHBondContact O-N 3.13Å; I837-L841 HydrophobicContact CG2-CD1 4.03Å; I837-L841 HydrophobicContact CG2-CG 4.29Å; I837-L841 WeakPolarHBondContact O-CG 3.43Å; I837-L841 PolarHBondContact O-N 2.93Å
838A85.7Confident86.7Confident4 Ų447.1 Ų47.13%0.03324%0.243CC..Hα-helixtrans-59.5-47177.600000111.3A826 Y827 Q834 L840 L841 L842A826-A838 HydrophobicContact CB-CB 4.09Å; A826-A838 WeakPolarHBondContact O-CA 3.18Å; Y827-A838 HydrophobicContact CD1-CB 4.46Å; Y827-A838 HydrophobicContact CE1-CB 3.97Å; Q834-A838 WeakPolarHBondContact O-CB 3.3Å; Q834-A838 PolarHBondContact O-N 3.06Å; A838-L840 VanDerWaalsContact C-N 3.35Å; A838-L840 PolarHBondContact O-N 3.35Å; A838-L841 PolarHBondContact O-N 3.38Å; A838-L842 VanDerWaalsContact O-CB 3.25Å; A838-L842 WeakPolarHBondContact O-CB 3.39Å; A838-L842 PolarHBondContact O-N 3.36Å
839G85.7Confident87.1Confident36 Ų3646.8 Ų46.837%0.37124%0.24SC..Hα-helixtrans-60.8-41.2176.400000113P835 I837 A843P835-G839 PolarHBondContact O-N 3.3Å; I837-G839 PolarHBondContact O-N 3.49Å; G839-A843 VanDerWaalsContact O-CB 3.29Å; G839-A843 WeakPolarHBondContact O-CB 3.35Å; G839-A843 PolarHBondContact O-N 2.9Å
840L89.8Confident87.4Confident92 Ų9246.5 Ų46.548%0.48224%0.237SC..Hα-helixtrans-65.6-50.3176-72.4173.2000111.7I836 I837 A838 L842 A843 F844I836-L840 HydrophobicContact CG2-CD1 4.2Å; I836-L840 WeakPolarHBondContact O-CB 3.35Å; I836-L840 VanDerWaalsContact O-CG 3.25Å; I836-L840 WeakPolarHBondContact O-CG 3.46Å; I836-L840 PolarHBondContact O-N 3.32Å; I837-L840 PolarHBondContact O-N 3.13Å; A838-L840 VanDerWaalsContact C-N 3.35Å; A838-L840 PolarHBondContact O-N 3.35Å; L840-L842 VanDerWaalsContact C-N 3.3Å; L840-L842 PolarHBondContact O-N 2.99Å; L840-A843 PolarHBondContact O-N 3.21Å; L840-F844 HydrophobicContact CB-CD2 4.24Å; L840-F844 HydrophobicContact CB-CE2 4.19Å; L840-F844 HydrophobicContact CD2-CE2 4.21Å; L840-F844 WeakPolarHBondContact O-CB 3.43Å; L840-F844 WeakPolarHBondContact O-CD2 3.32Å; L840-F844 PolarHBondContact O-N 3.23Å
841L91.2Very high87.7Confident30 Ų3045.6 Ų45.616%0.15723%0.232CC..Hα-helixtrans-57.3-45.2178.3-74.5175.8000111.5L750 I837 A838 F844 Y845L750-L841 HydrophobicContact CD2-CD2 4.19Å; I837-L841 HydrophobicContact CG2-CD1 4.03Å; I837-L841 HydrophobicContact CG2-CG 4.29Å; I837-L841 WeakPolarHBondContact O-CG 3.43Å; I837-L841 PolarHBondContact O-N 2.93Å; A838-L841 PolarHBondContact O-N 3.38Å; L841-F844 PolarHBondContact O-N 2.94Å; L841-Y845 VanDerWaalsContact O-CB 3.29Å; L841-Y845 WeakPolarHBondContact O-CB 3.38Å; L841-Y845 PolarHBondContact O-N 3.03Å
842L91.3Very high88.3Confident35 Ų3540.9 Ų40.918%0.18322%0.215CC..Hα-helixtrans-61.3-47.4177.5-170.959.8000112.1I821 D822 L823 A826 A838 L840 Y845 T846I821-L842 HydrophobicContact CG2-CD1 3.47Å; I821-L842 VanDerWaalsContact CG2-CD1 3.47Å; I821-L842 HydrophobicContact CG2-CD2 4.18Å; I821-L842 HydrophobicContact CG2-CG 4Å; D822-L842 VanDerWaalsContact O-CD1 3.25Å; D822-L842 WeakPolarHBondContact O-CD1 3.32Å; L823-L842 HydrophobicContact CD2-CD1 4.48Å; L823-L842 HydrophobicContact CD2-CD2 3.96Å; A826-L842 HydrophobicContact CB-CB 3.99Å; A826-L842 HydrophobicContact CB-CD1 4.35Å; A838-L842 VanDerWaalsContact O-CB 3.25Å; A838-L842 WeakPolarHBondContact O-CB 3.39Å; A838-L842 PolarHBondContact O-N 3.36Å; L840-L842 VanDerWaalsContact C-N 3.3Å; L840-L842 PolarHBondContact O-N 2.99Å; L842-Y845 PolarHBondContact O-N 3.06Å; L842-T846 VanDerWaalsContact O-CB 3.23Å; L842-T846 WeakPolarHBondContact O-CB 3.5Å; L842-T846 PolarHBondContact O-N 3.24Å; L842-T846 PolarHBondContact O-OG1 2.83Å
843A91.4Very high89.3Confident15 Ų1534.4 Ų34.412%0.12419%0.185CC..Hα-helixtrans-64.7-45.4178.900000111.6G839 L840 Y845 T846 Y847 T918G839-A843 VanDerWaalsContact O-CB 3.29Å; G839-A843 WeakPolarHBondContact O-CB 3.35Å; G839-A843 PolarHBondContact O-N 2.9Å; L840-A843 PolarHBondContact O-N 3.21Å; A843-Y845 VanDerWaalsContact C-N 3.34Å; A843-Y845 PolarHBondContact O-N 3.26Å; A843-T846 PolarHBondContact O-N 3.03Å; A843-Y847 VanDerWaalsContact O-CD2 3.26Å; A843-Y847 WeakPolarHBondContact O-CD2 3.47Å; A843-Y847 PolarHBondContact O-N 3.05Å; A843-T918 HydrophobicContact CB-CG2 4.3Å
844F92.2Very high90.2Very high81 Ų8132.1 Ų32.136%0.35518%0.175SC..Hα-helixtrans-61.2-42176.9-80-60.9000112L840 L841 S848 L851 F922L840-F844 HydrophobicContact CB-CD2 4.24Å; L840-F844 HydrophobicContact CB-CE2 4.19Å; L840-F844 HydrophobicContact CD2-CE2 4.21Å; L840-F844 WeakPolarHBondContact O-CB 3.43Å; L840-F844 WeakPolarHBondContact O-CD2 3.32Å; L840-F844 PolarHBondContact O-N 3.23Å; L841-F844 PolarHBondContact O-N 2.94Å; F844-S848 VanDerWaalsContact O-CA 3.22Å; F844-S848 WeakPolarHBondContact O-CA 3.47Å; F844-S848 VanDerWaalsContact O-CB 3.24Å; F844-S848 WeakPolarHBondContact O-CB 3.41Å; F844-S848 PolarHBondContact O-N 3.49Å; F844-L851 HydrophobicContact CD1-CD1 3.99Å; F844-F922 HydrophobicContact CE1-CD2 4.41Å
845Y94.5Very high90.5Very high2 Ų228.1 Ų28.11%0.00816%0.156CC..Hα-helixtrans-70.6-44.9178.1-180-104.5000112.4M747 L750 G751 I755 Q812 D822 A825 L841 L842 A843 Y847 S848M747-Y845 HydrophobicContact SD-CD2 3.93Å; L750-Y845 HydrophobicContact CB-CD2 3.56Å; L750-Y845 HydrophobicContact CB-CE2 4.05Å; L750-Y845 HydrophobicContact CB-CG 4.19Å; L750-Y845 HydrophobicContact CD1-CD2 4.28Å; G751-Y845 VanDerWaalsContact CA-CZ 3.49Å; G751-Y845 WeakPolarHBondContact CA-OH 3.43Å; I755-Y845 WeakPolarHBondContact CG1-OH 3.49Å; I755-Y845 HydrophobicContact CG2-CE2 4.2Å; Q812-Y845 PolarHBondContact NE2-O 3.32Å; D822-Y845 HydrophobicContact CB-CD1 4.29Å; D822-Y845 HydrophobicContact CB-CE1 3.65Å; A825-Y845 HydrophobicContact CB-CD1 3.37Å; A825-Y845 HydrophobicContact CB-CD2 4.22Å; A825-Y845 HydrophobicContact CB-CE1 3.95Å; A825-Y845 HydrophobicContact CB-CG 3.52Å; L841-Y845 VanDerWaalsContact O-CB 3.29Å; L841-Y845 WeakPolarHBondContact O-CB 3.38Å; L841-Y845 PolarHBondContact O-N 3.03Å; L842-Y845 PolarHBondContact O-N 3.06Å; A843-Y845 VanDerWaalsContact C-N 3.34Å; A843-Y845 PolarHBondContact O-N 3.26Å; Y845-Y847 PolarHBondContact O-N 3.03Å; Y845-S848 VanDerWaalsContact O-CB 3.28Å; Y845-S848 WeakPolarHBondContact O-CB 3.11Å; Y845-S848 PolarHBondContact O-N 3.03Å; Y845-S848 PolarHBondContact O-OG 3.12Å
846T93.9Very high91.1Very high4 Ų426.4 Ų26.43%0.02515%0.145CC..Hα-helixtrans-62.1-44-179.1-58.40000111.3F809 N814 L842 A843 Y911F809-T846 WeakPolarHBondContact CD2-O 3.39Å; F809-T846 HydrophobicContact CE2-CG2 4.05Å; F809-T846 WeakPolarHBondContact CE2-O 3.21Å; N814-T846 PolarHBondContact ND2-O 3.01Å; L842-T846 VanDerWaalsContact O-CB 3.23Å; L842-T846 WeakPolarHBondContact O-CB 3.5Å; L842-T846 PolarHBondContact O-N 3.24Å; L842-T846 PolarHBondContact O-OG1 2.83Å; A843-T846 PolarHBondContact O-N 3.03Å; T846-Y911 HydrophobicContact CG2-CE1 4.26Å
847Y94.6Very high91.1Very high10 Ų1020 Ų204%0.03911%0.112CC..THydrogen-bonded Turntrans-9914.4-179.1-57.5-69000114F809 A843 Y845 G849 P850 L851 Y911 V914 F915F809-Y847 HydrophobicContact CD2-CD1 4.39Å; F809-Y847 HydrophobicContact CE2-CD1 4.06Å; F809-Y847 HydrophobicContact CE2-CE1 4.09Å; A843-Y847 VanDerWaalsContact O-CD2 3.26Å; A843-Y847 WeakPolarHBondContact O-CD2 3.47Å; A843-Y847 PolarHBondContact O-N 3.05Å; Y845-Y847 PolarHBondContact O-N 3.03Å; Y847-G849 VanDerWaalsContact C-N 3.25Å; Y847-G849 PolarHBondContact O-N 3.26Å; Y847-P850 WeakPolarHBondContact O-CD 3.37Å; Y847-L851 WeakPolarHBondContact O-CB 3.3Å; Y847-L851 WeakPolarHBondContact O-CD1 3.46Å; Y847-L851 VanDerWaalsContact O-CG 3.25Å; Y847-L851 WeakPolarHBondContact O-CG 3.25Å; Y847-L851 PolarHBondContact O-N 3.42Å; Y847-Y911 HydrophobicContact CE1-CD1 4.29Å; Y847-Y911 WeakPolarHBondContact OH-CA 3.46Å; Y847-Y911 VanDerWaalsContact OH-CD1 3.24Å; Y847-Y911 WeakPolarHBondContact OH-CD1 3.37Å; Y847-Y911 PolarHBondContact OH-O 3Å; Y847-V914 HydrophobicContact CE2-CB 4.13Å; Y847-V914 HydrophobicContact CE2-CG1 3.67Å; Y847-F915 HydrophobicContact CD1-CB 4Å; Y847-F915 AromaticContact CD1-CD2 3.64Å; Y847-F915 HydrophobicContact CD1-CD2 3.64Å; Y847-F915 HydrophobicContact CD1-CG 4.3Å; Y847-F915 HydrophobicContact CE1-CB 3.66Å; Y847-F915 HydrophobicContact CE1-CD2 4.16Å; Y847-F915 HydrophobicContact CE1-CG 4.37Å; Y847-F915 HydrophobicContact CG-CD2 4.12Å
848S94.9Very high90.6Very high1 Ų117.3 Ų17.31%0.00710%0.098CC..Hα-helixtrans-55-38.1-17854.10000113M747 W759 Q812 F844 Y845 L851 I852M747-S848 WeakPolarHBondContact SD-CB 3.48Å; W759-S848 WeakPolarHBondContact CZ2-OG 3.49Å; Q812-S848 PolarHBondContact OE1-OG 3.44Å; F844-S848 VanDerWaalsContact O-CA 3.22Å; F844-S848 WeakPolarHBondContact O-CA 3.47Å; F844-S848 VanDerWaalsContact O-CB 3.24Å; F844-S848 WeakPolarHBondContact O-CB 3.41Å; F844-S848 PolarHBondContact O-N 3.49Å; Y845-S848 VanDerWaalsContact O-CB 3.28Å; Y845-S848 WeakPolarHBondContact O-CB 3.11Å; Y845-S848 PolarHBondContact O-N 3.03Å; Y845-S848 PolarHBondContact O-OG 3.12Å; S848-L851 PolarHBondContact O-N 3.38Å; S848-I852 VanDerWaalsContact O-CB 3.27Å; S848-I852 WeakPolarHBondContact O-CB 3.37Å; S848-I852 VanDerWaalsContact O-CG1 3.29Å; S848-I852 WeakPolarHBondContact O-CG1 3.26Å; S848-I852 PolarHBondContact O-N 2.74Å
849G95.4Very high90.3Very high0 Ų017.9 Ų17.90%010%0.101CC..Hα-helixtrans-52.6-72.8173.900000112.1G805 Y847 L851 I852 W853G805-G849 CarbonylContact O-C 3.56Å; Y847-G849 VanDerWaalsContact C-N 3.25Å; Y847-G849 PolarHBondContact O-N 3.26Å; G849-L851 VanDerWaalsContact C-N 3.25Å; G849-L851 PolarHBondContact O-N 3.37Å; G849-I852 PolarHBondContact O-N 3.27Å; G849-W853 PolarHBondContact O-N 3.46Å; G849-W853 VanDerWaalsContact O-N 3.11Å
850P94.4Very high89.9Confident2 Ų217.1 Ų17.11%0.0139%0.087CC..Hα-helixtrans-52.8-40.7177.6-29.236.6000113.6G805 W806 F809 Y847 Q854 F915 M919G805-P850 VanDerWaalsContact O-CD 3.24Å; G805-P850 WeakPolarHBondContact O-CD 3.22Å; W806-P850 HydrophobicContact CD2-CG 4.15Å; W806-P850 HydrophobicContact CE3-CG 4.19Å; W806-P850 HydrophobicContact CZ3-CG 4.41Å; F809-P850 HydrophobicContact CB-CG 4.36Å; Y847-P850 WeakPolarHBondContact O-CD 3.37Å; P850-Q854 WeakPolarHBondContact O-CB 3.25Å; P850-Q854 WeakPolarHBondContact O-CG 3.46Å; P850-Q854 PolarHBondContact O-N 3.42Å; P850-F915 HydrophobicContact CB-CE2 3.68Å; P850-F915 HydrophobicContact CB-CZ 4.37Å; P850-F915 HydrophobicContact CG-CE2 4.14Å; P850-M919 HydrophobicContact CB-SD 4.37Å
851L91.7Very high89.2Confident8 Ų813.2 Ų13.24%0.0427%0.066CC..Hα-helixtrans-60.9-56.1179.8-76.6165.7000112.5F844 Y847 S848 G849 W853 Q854 L855 T918 M919 F922F844-L851 HydrophobicContact CD1-CD1 3.99Å; Y847-L851 WeakPolarHBondContact O-CB 3.3Å; Y847-L851 WeakPolarHBondContact O-CD1 3.46Å; Y847-L851 VanDerWaalsContact O-CG 3.25Å; Y847-L851 WeakPolarHBondContact O-CG 3.25Å; Y847-L851 PolarHBondContact O-N 3.42Å; S848-L851 PolarHBondContact O-N 3.38Å; G849-L851 VanDerWaalsContact C-N 3.25Å; G849-L851 PolarHBondContact O-N 3.37Å; L851-W853 PolarHBondContact O-N 2.82Å; L851-Q854 PolarHBondContact O-N 2.99Å; L851-L855 WeakPolarHBondContact O-CB 3.42Å; L851-L855 WeakPolarHBondContact O-CG 3.43Å; L851-L855 PolarHBondContact O-N 3.36Å; L851-T918 HydrophobicContact CD1-CG2 3.97Å; L851-M919 HydrophobicContact CB-SD 4.28Å; L851-M919 HydrophobicContact CD2-CE 4.41Å; L851-M919 HydrophobicContact CD2-CG 4.37Å; L851-M919 HydrophobicContact CD2-SD 3.2Å; L851-M919 WeakPolarHBondContact CD2-SD 3.44Å; L851-M919 HydrophobicContact CG-SD 3.48Å; L851-M919 WeakPolarHBondContact CG-SD 3.46Å; L851-F922 HydrophobicContact CD2-CB 4.47Å; L851-F922 HydrophobicContact CD2-CD1 4.07Å; L851-F922 HydrophobicContact CD2-CG 4.24Å
852I93.2Very high88.2Confident11 Ų1112.5 Ų12.56%0.0566%0.063CC..Hα-helixtrans-66.4-40.7-174.8-69.6170.5000110.7L743 M747 W759 S848 G849 L855 A856L743-I852 HydrophobicContact CB-CD1 3.92Å; L743-I852 HydrophobicContact CB-CG1 4.04Å; L743-I852 HydrophobicContact CD1-CG1 4.3Å; M747-I852 HydrophobicContact CE-CD1 4.5Å; M747-I852 HydrophobicContact CG-CD1 3.81Å; W759-I852 HydrophobicContact CE3-CD1 4.22Å; W759-I852 HydrophobicContact CH2-CD1 3.65Å; W759-I852 HydrophobicContact CZ2-CD1 4.5Å; W759-I852 HydrophobicContact CZ3-CB 4.3Å; W759-I852 HydrophobicContact CZ3-CD1 3.48Å; W759-I852 VanDerWaalsContact CZ3-CD1 3.48Å; W759-I852 HydrophobicContact CZ3-CG1 4.45Å; W759-I852 HydrophobicContact CZ3-CG2 4.32Å; S848-I852 VanDerWaalsContact O-CB 3.27Å; S848-I852 WeakPolarHBondContact O-CB 3.37Å; S848-I852 VanDerWaalsContact O-CG1 3.29Å; S848-I852 WeakPolarHBondContact O-CG1 3.26Å; S848-I852 PolarHBondContact O-N 2.74Å; G849-I852 PolarHBondContact O-N 3.27Å; I852-L855 WeakPolarHBondContact O-CB 3.36Å; I852-L855 PolarHBondContact O-N 3.43Å; I852-A856 WeakPolarHBondContact O-CB 3.38Å; I852-A856 PolarHBondContact O-N 3.47Å
853W94.4Very high86.8Confident1 Ų114.3 Ų14.30%0.0047%0.073CC..Hα-helixtrans-65.2-45.2176.2-77.596.5000111.4I762 K765 E766 I769 Y801 Q804 S808 G849 L851 L855 A856 Y857I762-W853 HydrophobicContact CG2-CZ2 3.96Å; K765-W853 HydrophobicContact CD-CZ2 4.48Å; K765-W853 HydrophobicContact CG-CH2 4.35Å; E766-W853 HydrophobicContact CB-CH2 3.72Å; E766-W853 HydrophobicContact CB-CZ2 4.24Å; E766-W853 HydrophobicContact CB-CZ3 3.95Å; E766-W853 HydrophobicContact CG-CE3 4.08Å; E766-W853 HydrophobicContact CG-CH2 4.05Å; E766-W853 HydrophobicContact CG-CZ3 3.73Å; I769-W853 HydrophobicContact CD1-CH2 3.85Å; I769-W853 HydrophobicContact CD1-CZ3 4.04Å; Y801-W853 AromaticContact CD1-CE3 3.6Å; Y801-W853 HydrophobicContact CD1-CE3 3.6Å; Y801-W853 HydrophobicContact CD1-CZ3 4.28Å; Y801-W853 WeakPolarHBondContact CD1-O 3.37Å; Y801-W853 AromaticContact CE1-CE3 3.84Å; Y801-W853 HydrophobicContact CE1-CE3 3.84Å; Y801-W853 HydrophobicContact CE1-CZ3 4.17Å; Y801-W853 HydrophobicContact CG-CE3 4.18Å; Y801-W853 WeakPolarHBondContact O-CB 3.44Å; Q804-W853 HydrophobicContact CB-CD2 3.45Å; Q804-W853 VanDerWaalsContact CB-CD2 3.45Å; Q804-W853 HydrophobicContact CB-CE3 3.48Å; Q804-W853 VanDerWaalsContact CB-CE3 3.48Å; Q804-W853 HydrophobicContact CB-CG 4.1Å; Q804-W853 HydrophobicContact CB-CH2 3.82Å; Q804-W853 HydrophobicContact CB-CZ2 3.76Å; Q804-W853 HydrophobicContact CB-CZ3 3.67Å; Q804-W853 HydrophobicContact CG-CD2 4.4Å; Q804-W853 HydrophobicContact CG-CE3 4Å; Q804-W853 HydrophobicContact CG-CH2 3.8Å; Q804-W853 HydrophobicContact CG-CZ2 4.17Å; Q804-W853 HydrophobicContact CG-CZ3 3.69Å; S808-W853 PolarHBondContact OG-NE1 3.14Å; G849-W853 PolarHBondContact O-N 3.46Å; G849-W853 VanDerWaalsContact O-N 3.11Å; L851-W853 PolarHBondContact O-N 2.82Å; W853-L855 VanDerWaalsContact C-N 3.33Å; W853-L855 PolarHBondContact O-N 2.99Å; W853-A856 PolarHBondContact O-N 3.42Å; W853-Y857 PolarHBondContact O-N 2.97Å
854Q88.7Confident85.1Confident2 Ų216.8 Ų16.81%0.0099%0.089CC..Hα-helixtrans-61-43.4176.2-71-58.3-62.900111.8W802 P850 L851 A856 Y857 F858 M919W802-Q854 HydrophobicContact CE3-CG 4.27Å; W802-Q854 HydrophobicContact CZ3-CG 4.48Å; P850-Q854 WeakPolarHBondContact O-CB 3.25Å; P850-Q854 WeakPolarHBondContact O-CG 3.46Å; P850-Q854 PolarHBondContact O-N 3.42Å; L851-Q854 PolarHBondContact O-N 2.99Å; Q854-A856 VanDerWaalsContact C-N 3.32Å; Q854-A856 PolarHBondContact O-N 3.34Å; Q854-Y857 WeakPolarHBondContact O-CB 3.45Å; Q854-Y857 PolarHBondContact O-N 2.84Å; Q854-F858 WeakPolarHBondContact O-CD2 3.38Å; Q854-F858 PolarHBondContact O-N 3.28Å; Q854-M919 HydrophobicContact CB-CE 4.1Å; Q854-M919 HydrophobicContact CG-CE 3.78Å
855L85.8Confident83.2Confident9 Ų920.1 Ų20.15%0.04710%0.099CC..Hα-helixtrans-56.2-45.3173.4-82.6168.3000113.3L740 L743 L851 I852 W853 Y857 F858 C859 F922 W926L740-L855 HydrophobicContact CD1-CB 4.49Å; L740-L855 HydrophobicContact CD2-CB 3.92Å; L740-L855 HydrophobicContact CD2-CD1 4.41Å; L743-L855 HydrophobicContact CD1-CD1 3.58Å; L851-L855 WeakPolarHBondContact O-CB 3.42Å; L851-L855 WeakPolarHBondContact O-CG 3.43Å; L851-L855 PolarHBondContact O-N 3.36Å; I852-L855 WeakPolarHBondContact O-CB 3.36Å; I852-L855 PolarHBondContact O-N 3.43Å; W853-L855 VanDerWaalsContact C-N 3.33Å; W853-L855 PolarHBondContact O-N 2.99Å; L855-Y857 VanDerWaalsContact C-N 3.34Å; L855-F858 PolarHBondContact O-N 3.31Å; L855-C859 WeakPolarHBondContact O-CB 3.41Å; L855-C859 PolarHBondContact O-N 3.12Å; L855-C859 PolarHBondContact O-SG 2.96Å; L855-F922 HydrophobicContact CD1-CE1 3.53Å; L855-F922 HydrophobicContact CD1-CZ 3.48Å; L855-F922 VanDerWaalsContact CD1-CZ 3.48Å; L855-F922 HydrophobicContact CD2-CE1 3.29Å; L855-F922 HydrophobicContact CD2-CZ 3.59Å; L855-F922 HydrophobicContact CG-CE1 3.43Å; L855-F922 VanDerWaalsContact CG-CE1 3.43Å; L855-F922 HydrophobicContact CG-CZ 3.85Å; L855-W926 HydrophobicContact CD2-CD2 4.14Å; L855-W926 HydrophobicContact CD2-CE3 4.16Å; L855-W926 HydrophobicContact CD2-CZ3 4.38Å
856A88.9Confident81.3Confident2 Ų222.1 Ų22.12%0.01711%0.107CC..Hα-helixtrans-62.2-43.2178.400000111.4L740 E766 Y801 I852 W853 Q854 R860L740-A856 VanDerWaalsContact CD1-CA 3.43Å; L740-A856 HydrophobicContact CD1-CB 4.02Å; E766-A856 HydrophobicContact CG-CB 4.11Å; Y801-A856 HydrophobicContact CD1-CB 4.28Å; Y801-A856 HydrophobicContact CE1-CB 3.7Å; I852-A856 WeakPolarHBondContact O-CB 3.38Å; I852-A856 PolarHBondContact O-N 3.47Å; W853-A856 PolarHBondContact O-N 3.42Å; Q854-A856 VanDerWaalsContact C-N 3.32Å; Q854-A856 PolarHBondContact O-N 3.34Å; A856-R860 VanDerWaalsContact O-CB 3.26Å; A856-R860 WeakPolarHBondContact O-CB 3.48Å; A856-R860 WeakPolarHBondContact O-CG 3.48Å; A856-R860 PolarHBondContact O-N 3.06Å; A856-R860 VanDerWaalsContact O-N 3.08Å
857Y86.3Confident79.2Confident0 Ų030.8 Ų30.80%015%0.145CC..Hα-helixtrans-57.8-52.3173.6174.1-98000111.9P794 W798 Y801 W853 Q854 L855 R860 F861 V862 F873P794-Y857 PolarHBondContact O-OH 3.19Å; W798-Y857 HydrophobicContact CB-CD2 4.33Å; W798-Y857 HydrophobicContact CB-CE1 4.06Å; W798-Y857 HydrophobicContact CB-CE2 3.76Å; W798-Y857 AromaticContact CD1-CD1 3.93Å; W798-Y857 AromaticContact CD1-CE1 3.9Å; W798-Y857 HydrophobicContact CG-CE1 4.36Å; W798-Y857 VanDerWaalsContact N-CE2 3.35Å; Y801-Y857 HydrophobicContact CD2-CD2 4.28Å; Y801-Y857 HydrophobicContact CG-CD2 4.2Å; Y801-Y857 HydrophobicContact CG-CG 4.42Å; W853-Y857 PolarHBondContact O-N 2.97Å; Q854-Y857 WeakPolarHBondContact O-CB 3.45Å; Q854-Y857 PolarHBondContact O-N 2.84Å; L855-Y857 VanDerWaalsContact C-N 3.34Å; Y857-R860 PolarHBondContact O-N 3.49Å; Y857-F861 AromaticContact CD2-CD2 3.75Å; Y857-F861 HydrophobicContact CD2-CD2 3.75Å; Y857-F861 HydrophobicContact CE2-CB 4.25Å; Y857-F861 HydrophobicContact CE2-CD2 4.16Å; Y857-F861 HydrophobicContact CG-CD2 4.5Å; Y857-F861 WeakPolarHBondContact O-CD2 3.47Å; Y857-F861 PolarHBondContact O-N 2.68Å; Y857-V862 HydrophobicContact CD1-CG2 4.06Å; Y857-V862 HydrophobicContact CE1-CG2 3.45Å; Y857-V862 VanDerWaalsContact CE1-CG2 3.45Å; Y857-F873 AromaticContact CE1-CE1 3.61Å; Y857-F873 HydrophobicContact CE1-CE1 3.61Å; Y857-F873 AromaticContact CE1-CZ 3.61Å; Y857-F873 HydrophobicContact CE1-CZ 3.61Å; Y857-F873 AromaticContact CZ-CZ 3.7Å; Y857-F873 WeakPolarHBondContact OH-CZ 3.33Å
858F78.3Confident76.9Confident19 Ų1938.2 Ų38.28%0.08318%0.18CC..Iπ-helixtrans-62-48.4-177.9-83-75.2000112.2Q854 L855 R860 V862 L863 L923Q854-F858 WeakPolarHBondContact O-CD2 3.38Å; Q854-F858 PolarHBondContact O-N 3.28Å; L855-F858 PolarHBondContact O-N 3.31Å; F858-R860 VanDerWaalsContact C-N 3.3Å; F858-R860 PolarHBondContact O-N 2.82Å; F858-V862 HydrophobicContact CD1-CB 3.83Å; F858-V862 HydrophobicContact CD1-CG1 3.97Å; F858-V862 HydrophobicContact CD1-CG2 3.69Å; F858-V862 HydrophobicContact CE1-CG1 4.36Å; F858-V862 HydrophobicContact CE1-CG2 4.15Å; F858-V862 HydrophobicContact CG-CG2 4.42Å; F858-V862 WeakPolarHBondContact O-CB 3.29Å; F858-V862 PolarHBondContact O-N 2.87Å; F858-V862 VanDerWaalsContact O-N 3.09Å; F858-L863 PolarHBondContact O-N 2.68Å; F858-L923 HydrophobicContact CD2-CD2 4.33Å; F858-L923 HydrophobicContact CE2-CD2 3.69Å; F858-L923 HydrophobicContact CZ-CD2 4.32Å
859C79.1Confident74.8Confident16 Ų1638.7 Ų38.711%0.10818%0.181CC..Iπ-helixtrans-62-37-179.4-700000113L740 L855 W926L740-C859 HydrophobicContact CD1-CB 3.75Å; L855-C859 WeakPolarHBondContact O-CB 3.41Å; L855-C859 PolarHBondContact O-N 3.12Å; L855-C859 PolarHBondContact O-SG 2.96Å; C859-W926 VanDerWaalsContact SG-CZ2 3.5Å
860R77.9Confident73Confident20 Ų2039.5 Ų39.58%0.07519%0.189CC..Iπ-helixtrans-85.2-44.8-174-66.9-177.1-172.5-61.82.5112.3S735 E766 S770 A856 Y857 F858 S864S735-R860 PolarHBondContact O-NH2 2.92Å; S735-R860 VanDerWaalsContact O-NH2 3.15Å; S735-R860 PolarHBondContact OG-NH1 3.47Å; E766-R860 WeakPolarHBondContact OE1-CD 3.41Å; E766-R860 IonicContact OE1-CZ 3.08Å; E766-R860 IonicContact OE1-NE 2.88Å; E766-R860 PolarHBondContact OE1-NE 2.86Å; E766-R860 IonicContact OE1-NH2 3.84Å; E766-R860 IonicContact OE2-CZ 3.29Å; E766-R860 IonicContact OE2-NE 2.95Å; E766-R860 PolarHBondContact OE2-NE 3.29Å; E766-R860 IonicContact OE2-NH2 3.84Å; E766-R860 PolarHBondContact OE2-NH2 3.26Å; S770-R860 WeakPolarHBondContact OG-CD 3.26Å; A856-R860 VanDerWaalsContact O-CB 3.26Å; A856-R860 WeakPolarHBondContact O-CB 3.48Å; A856-R860 WeakPolarHBondContact O-CG 3.48Å; A856-R860 PolarHBondContact O-N 3.06Å; A856-R860 VanDerWaalsContact O-N 3.08Å; Y857-R860 PolarHBondContact O-N 3.49Å; F858-R860 VanDerWaalsContact C-N 3.3Å; F858-R860 PolarHBondContact O-N 2.82Å; R860-S864 PolarHBondContact O-OG 2.94Å
861F75Confident71.3Confident9 Ų944.4 Ų44.44%0.03921%0.212CC..Iπ-helixtrans-112.1-25.2-166-54.7-67000114.3I773 Q774 F777 Y801 Y857 Y866I773-F861 HydrophobicContact CB-CE1 4.14Å; I773-F861 HydrophobicContact CB-CZ 3.86Å; I773-F861 HydrophobicContact CD1-CE2 4.49Å; I773-F861 HydrophobicContact CD1-CZ 4.42Å; I773-F861 HydrophobicContact CG2-CD1 4.19Å; I773-F861 HydrophobicContact CG2-CE1 3.52Å; I773-F861 HydrophobicContact CG2-CE2 4.32Å; I773-F861 HydrophobicContact CG2-CZ 3.61Å; Q774-F861 HydrophobicContact CG-CE1 3.91Å; F777-F861 HydrophobicContact CD2-CD1 4.16Å; F777-F861 HydrophobicContact CE2-CB 4.35Å; F777-F861 AromaticContact CE2-CD1 3.64Å; F777-F861 HydrophobicContact CE2-CD1 3.64Å; F777-F861 HydrophobicContact CE2-CE1 4.36Å; F777-F861 HydrophobicContact CE2-CG 4.27Å; F777-F861 HydrophobicContact CZ-CD1 4.2Å; Y801-F861 HydrophobicContact CD2-CE2 4.46Å; Y801-F861 AromaticContact CE2-CE2 3.65Å; Y801-F861 HydrophobicContact CE2-CE2 3.65Å; Y801-F861 HydrophobicContact CE2-CZ 4.41Å; Y801-F861 AromaticContact CZ-CE2 3.71Å; Y857-F861 AromaticContact CD2-CD2 3.75Å; Y857-F861 HydrophobicContact CD2-CD2 3.75Å; Y857-F861 HydrophobicContact CE2-CB 4.25Å; Y857-F861 HydrophobicContact CE2-CD2 4.16Å; Y857-F861 HydrophobicContact CG-CD2 4.5Å; Y857-F861 WeakPolarHBondContact O-CD2 3.47Å; Y857-F861 PolarHBondContact O-N 2.68Å; F861-Y866 VanDerWaalsContact O-CD2 3.28Å; F861-Y866 WeakPolarHBondContact O-CD2 3.41Å
862V69.4Low69.7Low16 Ų1649.4 Ų49.410%0.09723%0.234CC..Iπ-helixtrans-94.3-55.3-176.2-1780000111.4Y857 F858 S864 Y866 F869Y857-V862 HydrophobicContact CD1-CG2 4.06Å; Y857-V862 HydrophobicContact CE1-CG2 3.45Å; Y857-V862 VanDerWaalsContact CE1-CG2 3.45Å; F858-V862 HydrophobicContact CD1-CB 3.83Å; F858-V862 HydrophobicContact CD1-CG1 3.97Å; F858-V862 HydrophobicContact CD1-CG2 3.69Å; F858-V862 HydrophobicContact CE1-CG1 4.36Å; F858-V862 HydrophobicContact CE1-CG2 4.15Å; F858-V862 HydrophobicContact CG-CG2 4.42Å; F858-V862 WeakPolarHBondContact O-CB 3.29Å; F858-V862 PolarHBondContact O-N 2.87Å; F858-V862 VanDerWaalsContact O-N 3.09Å; V862-S864 PolarHBondContact O-N 3.25Å; V862-Y866 PolarHBondContact O-N 3.5Å; V862-F869 HydrophobicContact CG1-CD1 4.3Å; V862-F869 HydrophobicContact CG2-CD1 4.47Å; V862-F869 HydrophobicContact CG2-CE1 4.13Å
863L61.9Low68.4Low73 Ų7349.4 Ų49.438%0.38223%0.233SC..THydrogen-bonded Turntrans-67.6-34.7-175.2-63.3-179.2000114.2F858 R865 W926 T930F858-L863 PolarHBondContact O-N 2.68Å; L863-R865 VanDerWaalsContact C-N 3.33Å; L863-R865 PolarHBondContact O-N 2.89Å; L863-W926 HydrophobicContact CD1-CZ2 4.01Å; L863-T930 HydrophobicContact CD1-CG2 3.37Å; L863-T930 HydrophobicContact CD2-CG2 3.48Å; L863-T930 VanDerWaalsContact CD2-CG2 3.48Å; L863-T930 HydrophobicContact CG-CG2 4.03Å
864S56Low67.2Low67 Ų6751.4 Ų51.447%0.46924%0.244SC..THydrogen-bonded Turntrans-74.8-21.4-168.165.90000113.6R860 V862R860-S864 PolarHBondContact O-OG 2.94Å; V862-S864 PolarHBondContact O-N 3.25Å
865R53.4Low66.1Low150 Ų15051.6 Ų51.657%0.56625%0.245SC*.THydrogen-bonded Turntrans-146.6-17.6-164.8-71.7-176.4-174.6-1761.6117.9L863L863-R865 VanDerWaalsContact C-N 3.33Å; L863-R865 PolarHBondContact O-N 2.89Å
866Y53Low65.4Low44 Ų4452.2 Ų52.217%0.17325%0.249CC..  trans-137.964.7-164.9-50.4-75.9000115.7I782 F861 V862 H868 F869I782-Y866 HydrophobicContact CG2-CE1 4.22Å; I782-Y866 WeakPolarHBondContact CG2-OH 3.29Å; F861-Y866 VanDerWaalsContact O-CD2 3.28Å; F861-Y866 WeakPolarHBondContact O-CD2 3.41Å; V862-Y866 PolarHBondContact O-N 3.5Å; Y866-H868 PolarHBondContact O-N 3.49Å; Y866-H868 VanDerWaalsContact O-N 3.1Å; Y866-F869 WeakPolarHBondContact O-CB 3.37Å; Y866-F869 PolarHBondContact O-N 2.82Å
867K50Low64.7Low186 Ų18652.2 Ų52.281%0.80925%0.248SC*.G310 helixtrans-51.6-36.5178.2-73.6-167.8174.5-162.20114.5F869K867-F869 VanDerWaalsContact C-N 3.31Å; K867-F869 PolarHBondContact O-N 3.2Å
868H47.3Very low64.4Low167 Ų16752.9 Ų52.977%0.77325%0.252SS*.G310 helixtrans-78.8-4.1178.5-69.1-58.2000115.4Y866Y866-H868 PolarHBondContact O-N 3.49Å; Y866-H868 VanDerWaalsContact O-N 3.1Å
869F51.4Low64.6Low11 Ų1152 Ų525%0.04825%0.248CC..G310 helixtrans-81.6-26.4179.1175.2-104.4000112.6Y791 P794 V862 Y866 K867 E871 F873Y791-F869 HydrophobicContact CD1-CD2 4.27Å; P794-F869 HydrophobicContact CB-CD2 4.47Å; P794-F869 HydrophobicContact CB-CE1 4.11Å; P794-F869 HydrophobicContact CB-CE2 3.46Å; P794-F869 VanDerWaalsContact CB-CE2 3.46Å; P794-F869 HydrophobicContact CB-CZ 3.22Å; P794-F869 HydrophobicContact CG-CE2 3.89Å; P794-F869 HydrophobicContact CG-CZ 4.11Å; V862-F869 HydrophobicContact CG1-CD1 4.3Å; V862-F869 HydrophobicContact CG2-CD1 4.47Å; V862-F869 HydrophobicContact CG2-CE1 4.13Å; Y866-F869 WeakPolarHBondContact O-CB 3.37Å; Y866-F869 PolarHBondContact O-N 2.82Å; K867-F869 VanDerWaalsContact C-N 3.31Å; K867-F869 PolarHBondContact O-N 3.2Å; F869-E871 PolarHBondContact O-N 3.36Å; F869-F873 HydrophobicContact CD1-CB 3.97Å; F869-F873 HydrophobicContact CD1-CD1 4.05Å; F869-F873 HydrophobicContact CD1-CG 4.01Å; F869-F873 HydrophobicContact CD2-CB 4.25Å; F869-F873 HydrophobicContact CE1-CB 3.66Å; F869-F873 AromaticContact CE1-CD1 3.25Å; F869-F873 HydrophobicContact CE1-CD1 3.25Å; F869-F873 AromaticContact CE1-CD2 3.69Å; F869-F873 HydrophobicContact CE1-CD2 3.69Å; F869-F873 AromaticContact CE1-CE1 3.75Å; F869-F873 HydrophobicContact CE1-CE1 3.75Å; F869-F873 HydrophobicContact CE1-CE2 4.13Å; F869-F873 AromaticContact CE1-CG 3.21Å; F869-F873 HydrophobicContact CE1-CG 3.21Å; F869-F873 HydrophobicContact CE1-CZ 4.15Å; F869-F873 HydrophobicContact CE2-CB 3.93Å; F869-F873 AromaticContact CE2-CD2 3.83Å; F869-F873 HydrophobicContact CE2-CD2 3.83Å; F869-F873 AromaticContact CE2-CG 3.9Å; F869-F873 HydrophobicContact CE2-CG 3.9Å; F869-F873 HydrophobicContact CG-CB 4.26Å; F869-F873 HydrophobicContact CZ-CB 3.62Å; F869-F873 AromaticContact CZ-CD1 3.66Å; F869-F873 HydrophobicContact CZ-CD1 3.66Å; F869-F873 AromaticContact CZ-CD2 3.12Å; F869-F873 HydrophobicContact CZ-CD2 3.12Å; F869-F873 HydrophobicContact CZ-CE1 4.09Å; F869-F873 AromaticContact CZ-CE2 3.6Å; F869-F873 HydrophobicContact CZ-CE2 3.6Å; F869-F873 AromaticContact CZ-CG 3.13Å; F869-F873 HydrophobicContact CZ-CG 3.13Å; F869-F873 HydrophobicContact CZ-CZ 4.06Å; F869-F873 VanDerWaalsContact O-CB 3.26Å; F869-F873 WeakPolarHBondContact O-CB 3.49Å; F869-F873 PolarHBondContact O-N 3.26Å
870G57.4Low64.9Low16 Ų1651.8 Ų51.817%0.16525%0.245CC..Hα-helixtrans-56.6-53.1-164.600000115.3N874G870-N874 WeakPolarHBondContact O-CB 3.45Å; G870-N874 PolarHBondContact O-N 3.32Å; G870-N874 PolarHBondContact O-ND2 2.87Å; G870-N874 VanDerWaalsContact O-ND2 3.13Å; G870-N874 PolarHBondContact O-OD1 3.31Å
871E57.8Low65.3Low105 Ų10550.9 Ų50.949%0.49124%0.242SC..Hα-helixtrans-63.5-56.7-166.6-66.6176.6178.300113.7F869 F873 N874 C875F869-E871 PolarHBondContact O-N 3.36Å; E871-F873 PolarHBondContact O-N 2.79Å; E871-N874 PolarHBondContact O-N 3.34Å; E871-C875 PolarHBondContact O-N 3.29Å; E871-C875 PolarHBondContact O-SG 3.09Å
872K58.8Low66Low114 Ų11450.5 Ų50.550%0.49624%0.24SC..Hα-helixtrans-66.6-38.3-178.1-70-177.1177.7-176.90112.3L876K872-L876 PolarHBondContact O-N 3.2Å
873F65.4Low67.1Low10 Ų1050.6 Ų50.64%0.04424%0.24CC..Hα-helixtrans-70.1-40.6179.8177.2-98.8000112F795 W798 Y857 F869 E871 C875 L876 V877F795-F873 HydrophobicContact CB-CE2 4.43Å; F795-F873 HydrophobicContact CD2-CE2 4.32Å; W798-F873 HydrophobicContact CB-CE2 4.06Å; W798-F873 HydrophobicContact CB-CZ 3.62Å; W798-F873 AromaticContact CD1-CZ 3.85Å; W798-F873 HydrophobicContact CD2-CZ 4.41Å; W798-F873 HydrophobicContact CG-CE2 4.3Å; W798-F873 AromaticContact CG-CZ 3.65Å; W798-F873 HydrophobicContact CG-CZ 3.65Å; Y857-F873 AromaticContact CE1-CE1 3.61Å; Y857-F873 HydrophobicContact CE1-CE1 3.61Å; Y857-F873 AromaticContact CE1-CZ 3.61Å; Y857-F873 HydrophobicContact CE1-CZ 3.61Å; Y857-F873 AromaticContact CZ-CZ 3.7Å; Y857-F873 WeakPolarHBondContact OH-CZ 3.33Å; F869-F873 HydrophobicContact CD1-CB 3.97Å; F869-F873 HydrophobicContact CD1-CD1 4.05Å; F869-F873 HydrophobicContact CD1-CG 4.01Å; F869-F873 HydrophobicContact CD2-CB 4.25Å; F869-F873 HydrophobicContact CE1-CB 3.66Å; F869-F873 AromaticContact CE1-CD1 3.25Å; F869-F873 HydrophobicContact CE1-CD1 3.25Å; F869-F873 AromaticContact CE1-CD2 3.69Å; F869-F873 HydrophobicContact CE1-CD2 3.69Å; F869-F873 AromaticContact CE1-CE1 3.75Å; F869-F873 HydrophobicContact CE1-CE1 3.75Å; F869-F873 HydrophobicContact CE1-CE2 4.13Å; F869-F873 AromaticContact CE1-CG 3.21Å; F869-F873 HydrophobicContact CE1-CG 3.21Å; F869-F873 HydrophobicContact CE1-CZ 4.15Å; F869-F873 HydrophobicContact CE2-CB 3.93Å; F869-F873 AromaticContact CE2-CD2 3.83Å; F869-F873 HydrophobicContact CE2-CD2 3.83Å; F869-F873 AromaticContact CE2-CG 3.9Å; F869-F873 HydrophobicContact CE2-CG 3.9Å; F869-F873 HydrophobicContact CG-CB 4.26Å; F869-F873 HydrophobicContact CZ-CB 3.62Å; F869-F873 AromaticContact CZ-CD1 3.66Å; F869-F873 HydrophobicContact CZ-CD1 3.66Å; F869-F873 AromaticContact CZ-CD2 3.12Å; F869-F873 HydrophobicContact CZ-CD2 3.12Å; F869-F873 HydrophobicContact CZ-CE1 4.09Å; F869-F873 AromaticContact CZ-CE2 3.6Å; F869-F873 HydrophobicContact CZ-CE2 3.6Å; F869-F873 AromaticContact CZ-CG 3.13Å; F869-F873 HydrophobicContact CZ-CG 3.13Å; F869-F873 HydrophobicContact CZ-CZ 4.06Å; F869-F873 VanDerWaalsContact O-CB 3.26Å; F869-F873 WeakPolarHBondContact O-CB 3.49Å; F869-F873 PolarHBondContact O-N 3.26Å; E871-F873 PolarHBondContact O-N 2.79Å; F873-C875 VanDerWaalsContact C-N 3.27Å; F873-C875 PolarHBondContact O-N 3.4Å; F873-L876 HydrophobicContact CD2-CD2 4.38Å; F873-L876 WeakPolarHBondContact O-CB 3.31Å; F873-L876 PolarHBondContact O-N 3.03Å; F873-L876 VanDerWaalsContact O-N 3.1Å; F873-V877 HydrophobicContact CD1-CG2 4.02Å; F873-V877 HydrophobicContact CD2-CG2 4.46Å; F873-V877 HydrophobicContact CE1-CG2 3.43Å; F873-V877 VanDerWaalsContact CE1-CG2 3.43Å; F873-V877 HydrophobicContact CE2-CG2 3.94Å; F873-V877 HydrophobicContact CG-CG2 4.49Å; F873-V877 HydrophobicContact CZ-CG2 3.38Å; F873-V877 WeakPolarHBondContact O-CG2 3.34Å; F873-V877 PolarHBondContact O-N 3.39Å
874N69Low68.6Low43 Ų4348 Ų4823%0.2323%0.228CC..Hα-helixtrans-60.2-39.7176.7-70.8-12.8000111.3G870 E871 L876 V877 L878G870-N874 WeakPolarHBondContact O-CB 3.45Å; G870-N874 PolarHBondContact O-N 3.32Å; G870-N874 PolarHBondContact O-ND2 2.87Å; G870-N874 VanDerWaalsContact O-ND2 3.13Å; G870-N874 PolarHBondContact O-OD1 3.31Å; E871-N874 PolarHBondContact O-N 3.34Å; N874-L876 VanDerWaalsContact C-N 3.33Å; N874-L876 PolarHBondContact O-N 3.14Å; N874-V877 PolarHBondContact O-N 2.88Å; N874-L878 WeakPolarHBondContact O-CB 3.48Å; N874-L878 WeakPolarHBondContact O-CG 3.44Å; N874-L878 PolarHBondContact O-N 3.3Å
875C66.8Low70.4Confident6 Ų645 Ų454%0.04121%0.206CC..Hα-helixtrans-62.8-39.4175.7-58.90000112.6I7 E871 F873 G879I7-C875 HydrophobicContact CD1-CB 4.32Å; I7-C875 WeakPolarHBondContact CD1-SG 3.46Å; E871-C875 PolarHBondContact O-N 3.29Å; E871-C875 PolarHBondContact O-SG 3.09Å; F873-C875 VanDerWaalsContact C-N 3.27Å; F873-C875 PolarHBondContact O-N 3.4Å; C875-G879 PolarHBondContact O-N 2.94Å
876L69.9Low72.4Confident22 Ų2237.9 Ų37.912%0.11518%0.18CC..Hα-helixtrans-62.1-49.9176.4179.871.5000111.4I478 F795 K872 F873 N874 G879 F880I478-L876 HydrophobicContact CB-CD1 4.05Å; I478-L876 HydrophobicContact CD1-CD1 3.8Å; I478-L876 HydrophobicContact CG1-CB 4.25Å; I478-L876 HydrophobicContact CG1-CD1 3.56Å; I478-L876 HydrophobicContact CG2-CD1 3.38Å; F795-L876 HydrophobicContact CD2-CD2 3.31Å; F795-L876 HydrophobicContact CD2-CG 4.21Å; F795-L876 HydrophobicContact CE2-CD1 4.45Å; F795-L876 HydrophobicContact CE2-CD2 3.5Å; F795-L876 VanDerWaalsContact CE2-CD2 3.5Å; F795-L876 HydrophobicContact CE2-CG 3.95Å; F795-L876 HydrophobicContact CG-CD2 4Å; F795-L876 HydrophobicContact CZ-CD2 4.33Å; K872-L876 PolarHBondContact O-N 3.2Å; F873-L876 HydrophobicContact CD2-CD2 4.38Å; F873-L876 WeakPolarHBondContact O-CB 3.31Å; F873-L876 PolarHBondContact O-N 3.03Å; F873-L876 VanDerWaalsContact O-N 3.1Å; N874-L876 VanDerWaalsContact C-N 3.33Å; N874-L876 PolarHBondContact O-N 3.14Å; L876-G879 PolarHBondContact O-N 3Å; L876-F880 HydrophobicContact CD1-CD2 4.29Å; L876-F880 HydrophobicContact CD1-CE2 3.7Å; L876-F880 HydrophobicContact CG-CD2 4.35Å; L876-F880 HydrophobicContact CG-CE2 4.12Å; L876-F880 VanDerWaalsContact O-CD2 3.3Å; L876-F880 WeakPolarHBondContact O-CD2 3.25Å; L876-F880 PolarHBondContact O-N 3.32Å
877V75.1Confident74.4Confident2 Ų237 Ų371%0.01218%0.178CC..Hα-helixtrans-60.1-46.7177.5171.60000111W798 F873 N874 G879 F880 I881W798-V877 HydrophobicContact CD2-CG2 3.86Å; W798-V877 HydrophobicContact CG-CG2 4.08Å; W798-V877 HydrophobicContact CZ2-CB 4.15Å; W798-V877 HydrophobicContact CZ2-CG1 3.74Å; W798-V877 HydrophobicContact CZ2-CG2 4.04Å; F873-V877 HydrophobicContact CD1-CG2 4.02Å; F873-V877 HydrophobicContact CD2-CG2 4.46Å; F873-V877 HydrophobicContact CE1-CG2 3.43Å; F873-V877 VanDerWaalsContact CE1-CG2 3.43Å; F873-V877 HydrophobicContact CE2-CG2 3.94Å; F873-V877 HydrophobicContact CG-CG2 4.49Å; F873-V877 HydrophobicContact CZ-CG2 3.38Å; F873-V877 WeakPolarHBondContact O-CG2 3.34Å; F873-V877 PolarHBondContact O-N 3.39Å; N874-V877 PolarHBondContact O-N 2.88Å; V877-G879 VanDerWaalsContact C-N 3.33Å; V877-G879 PolarHBondContact O-N 3.03Å; V877-F880 PolarHBondContact O-N 3.06Å; V877-I881 HydrophobicContact CG1-CD1 3.85Å; V877-I881 WeakPolarHBondContact O-CG1 3.43Å; V877-I881 PolarHBondContact O-N 3.16Å
878L79.5Confident76.5Confident15 Ų1528.2 Ų28.28%0.07914%0.14CC..Hα-helixtrans-61.2-40.5177.8-71.6173.7000112L16 L474 N874 F880 I881 V882 L923L16-L878 HydrophobicContact CD1-CD1 4.01Å; L16-L878 HydrophobicContact CD1-CD2 4.36Å; L16-L878 HydrophobicContact CD2-CD1 4.39Å; L16-L878 HydrophobicContact CD2-CD2 4.08Å; L16-L878 HydrophobicContact CG-CD1 4.44Å; L474-L878 HydrophobicContact CD1-CB 4.38Å; N874-L878 WeakPolarHBondContact O-CB 3.48Å; N874-L878 WeakPolarHBondContact O-CG 3.44Å; N874-L878 PolarHBondContact O-N 3.3Å; L878-F880 PolarHBondContact O-N 2.98Å; L878-I881 HydrophobicContact CD2-CD1 4.48Å; L878-I881 WeakPolarHBondContact O-CB 3.31Å; L878-I881 PolarHBondContact O-N 2.98Å; L878-I881 VanDerWaalsContact O-N 3.13Å; L878-V882 WeakPolarHBondContact O-CG2 3.22Å; L878-V882 PolarHBondContact O-N 3.49Å; L878-L923 HydrophobicContact CD2-CD1 4.47Å
879G82.9Confident78.7Confident0 Ų020.3 Ų20.30%010%0.104CC..Hα-helixtrans-55.9-48.4174.900000112.5F475 C875 L876 V877 I881 V882 L883F475-G879 VanDerWaalsContact CE2-O 3.28Å; F475-G879 WeakPolarHBondContact CE2-O 3.42Å; C875-G879 PolarHBondContact O-N 2.94Å; L876-G879 PolarHBondContact O-N 3Å; V877-G879 VanDerWaalsContact C-N 3.33Å; V877-G879 PolarHBondContact O-N 3.03Å; G879-I881 VanDerWaalsContact C-N 3.28Å; G879-I881 PolarHBondContact O-N 2.68Å; G879-V882 WeakPolarHBondContact O-CG2 3.49Å; G879-V882 PolarHBondContact O-N 2.9Å; G879-L883 WeakPolarHBondContact O-CB 3.36Å; G879-L883 PolarHBondContact O-N 3.46Å
880F84.7Confident80.8Confident11 Ų1121 Ų215%0.04811%0.109CC..Hα-helixtrans-69.7-23.1177.5-76.1-66.8000114.1F475 T529 L532 F795 W798 L876 V877 L878 P884F475-F880 HydrophobicContact CE1-CE1 4.48Å; F475-F880 HydrophobicContact CZ-CD1 4.4Å; F475-F880 HydrophobicContact CZ-CE1 4.49Å; T529-F880 HydrophobicContact CG2-CE1 4.25Å; T529-F880 HydrophobicContact CG2-CZ 3.82Å; L532-F880 HydrophobicContact CB-CD1 4.11Å; L532-F880 HydrophobicContact CB-CE1 4.17Å; L532-F880 HydrophobicContact CD1-CD1 3.8Å; L532-F880 HydrophobicContact CD1-CE1 4.11Å; L532-F880 HydrophobicContact CD1-CG 4.11Å; F795-F880 HydrophobicContact CE2-CD2 4.4Å; F795-F880 AromaticContact CE2-CE2 3.94Å; F795-F880 HydrophobicContact CE2-CE2 3.94Å; F795-F880 AromaticContact CZ-CE2 3.88Å; F795-F880 HydrophobicContact CZ-CE2 3.88Å; F795-F880 HydrophobicContact CZ-CZ 4.38Å; W798-F880 HydrophobicContact CH2-CB 3.65Å; W798-F880 AromaticContact CH2-CD2 3.97Å; W798-F880 HydrophobicContact CH2-CD2 3.97Å; W798-F880 HydrophobicContact CH2-CG 4.06Å; W798-F880 HydrophobicContact CZ3-CB 4.4Å; W798-F880 AromaticContact CZ3-CD2 3.91Å; W798-F880 HydrophobicContact CZ3-CD2 3.91Å; W798-F880 HydrophobicContact CZ3-CG 4.33Å; L876-F880 HydrophobicContact CD1-CD2 4.29Å; L876-F880 HydrophobicContact CD1-CE2 3.7Å; L876-F880 HydrophobicContact CG-CD2 4.35Å; L876-F880 HydrophobicContact CG-CE2 4.12Å; L876-F880 VanDerWaalsContact O-CD2 3.3Å; L876-F880 WeakPolarHBondContact O-CD2 3.25Å; L876-F880 PolarHBondContact O-N 3.32Å; V877-F880 PolarHBondContact O-N 3.06Å; L878-F880 PolarHBondContact O-N 2.98Å; F880-P884 WeakPolarHBondContact O-CD 3.37Å
881I86.3Confident82.5Confident1 Ų121.9 Ų21.91%0.00511%0.108CC..Hα-helixtrans-72.3-45.6171.7-70166.9000110.4W802 V877 L878 G879 I885 F915 L923W802-I881 HydrophobicContact CH2-CG1 3.63Å; W802-I881 HydrophobicContact CZ2-CG1 4.44Å; W802-I881 HydrophobicContact CZ3-CD1 4.31Å; W802-I881 HydrophobicContact CZ3-CG1 3.84Å; V877-I881 HydrophobicContact CG1-CD1 3.85Å; V877-I881 WeakPolarHBondContact O-CG1 3.43Å; V877-I881 PolarHBondContact O-N 3.16Å; L878-I881 HydrophobicContact CD2-CD1 4.48Å; L878-I881 WeakPolarHBondContact O-CB 3.31Å; L878-I881 PolarHBondContact O-N 2.98Å; L878-I881 VanDerWaalsContact O-N 3.13Å; G879-I881 VanDerWaalsContact C-N 3.28Å; G879-I881 PolarHBondContact O-N 2.68Å; I881-I885 WeakPolarHBondContact O-CD1 3.29Å; I881-I885 WeakPolarHBondContact O-CG1 3.4Å; I881-F915 HydrophobicContact CG2-CE1 4.16Å; I881-L923 HydrophobicContact CD1-CD1 3.84Å
882V90.7Very high84Confident1 Ų116.9 Ų16.91%0.0069%0.085CC..Hα-helixtrans-81.5-26.1-174.3-60.30000114.3Y19 T471 L474 L878 G879 I885 T886 Y916Y19-V882 HydrophobicContact CD1-CG1 4.27Å; Y19-V882 HydrophobicContact CD2-CB 4.29Å; Y19-V882 HydrophobicContact CD2-CG1 4.21Å; Y19-V882 HydrophobicContact CE1-CB 4.38Å; Y19-V882 HydrophobicContact CE1-CG1 4.06Å; Y19-V882 HydrophobicContact CE2-CB 3.7Å; Y19-V882 HydrophobicContact CE2-CG1 4.01Å; Y19-V882 HydrophobicContact CE2-CG2 4.46Å; Y19-V882 HydrophobicContact CG-CG1 4.33Å; Y19-V882 PolarHBondContact OH-O 3.45Å; T471-V882 HydrophobicContact CG2-CG2 4.29Å; T471-V882 WeakPolarHBondContact OG1-CG2 3.49Å; L474-V882 HydrophobicContact CD1-CG2 3.77Å; L878-V882 WeakPolarHBondContact O-CG2 3.22Å; L878-V882 PolarHBondContact O-N 3.49Å; G879-V882 WeakPolarHBondContact O-CG2 3.49Å; G879-V882 PolarHBondContact O-N 2.9Å; V882-I885 PolarHBondContact O-N 3Å; V882-T886 WeakPolarHBondContact O-CB 3.42Å; V882-T886 PolarHBondContact O-N 3.46Å; V882-T886 PolarHBondContact O-OG1 2.88Å; V882-Y916 HydrophobicContact CG1-CD2 4.42Å; V882-Y916 HydrophobicContact CG1-CE2 4.05Å
883L92Very high85.5Confident18 Ų1813.2 Ų13.29%0.0947%0.069CC..Hα-helixtrans-54.5-57.6-179.5179.764.7000113.8T471 F475 A536 G879 I885 T886 L887T471-L883 HydrophobicContact CG2-CD1 4.15Å; F475-L883 HydrophobicContact CE1-CD2 4.26Å; F475-L883 HydrophobicContact CE2-CB 3.69Å; F475-L883 HydrophobicContact CE2-CD1 4.08Å; F475-L883 HydrophobicContact CE2-CD2 4.18Å; F475-L883 HydrophobicContact CE2-CG 4.19Å; F475-L883 HydrophobicContact CZ-CB 3.83Å; F475-L883 HydrophobicContact CZ-CD1 4.27Å; F475-L883 HydrophobicContact CZ-CD2 3.57Å; F475-L883 HydrophobicContact CZ-CG 4.08Å; A536-L883 HydrophobicContact CB-CD2 4.09Å; A536-L883 HydrophobicContact CB-CG 4.08Å; G879-L883 WeakPolarHBondContact O-CB 3.36Å; G879-L883 PolarHBondContact O-N 3.46Å; L883-I885 PolarHBondContact O-N 3.49Å; L883-T886 PolarHBondContact O-N 3.39Å; L883-L887 HydrophobicContact CD1-CD1 3.83Å; L883-L887 HydrophobicContact CD1-CG 4.27Å; L883-L887 HydrophobicContact CG-CD1 4.06Å; L883-L887 PolarHBondContact O-N 3.38Å
884P93.1Very high86.7Confident19 Ų1919.4 Ų19.412%0.12310%0.096CC..Hα-helixtrans-62.6-31.9-17824.7-34.7000111.9A536 L539 F880 C888A536-P884 HydrophobicContact CB-CB 4.17Å; L539-P884 HydrophobicContact CD1-CB 4.01Å; F880-P884 WeakPolarHBondContact O-CD 3.37Å; P884-C888 WeakPolarHBondContact O-CB 3.43Å; P884-C888 PolarHBondContact O-N 2.87Å
885I94.5Very high87.5Confident3 Ų319.7 Ų19.72%0.01510%0.097CC..Hα-helixtrans-68.7-44.8177.7-49.8-177.7000110.5Y19 L23 M467 I881 V882 L883 C888 G889 M909 S912 Y916Y19-I885 VanDerWaalsContact OH-CB 3.29Å; Y19-I885 WeakPolarHBondContact OH-CB 3.32Å; Y19-I885 VanDerWaalsContact OH-CG2 3.3Å; Y19-I885 WeakPolarHBondContact OH-CG2 3.49Å; L23-I885 HydrophobicContact CD1-CG2 4.28Å; M467-I885 HydrophobicContact CE-CG2 4.13Å; I881-I885 WeakPolarHBondContact O-CD1 3.29Å; I881-I885 WeakPolarHBondContact O-CG1 3.4Å; V882-I885 PolarHBondContact O-N 3Å; L883-I885 PolarHBondContact O-N 3.49Å; I885-C888 PolarHBondContact O-N 3.23Å; I885-G889 PolarHBondContact O-N 3.04Å; I885-M909 HydrophobicContact CG2-CE 3.95Å; I885-M909 HydrophobicContact CG2-SD 4.49Å; I885-S912 WeakPolarHBondContact CD1-O 3.27Å; I885-Y916 HydrophobicContact CD1-CD2 4.14Å; I885-Y916 HydrophobicContact CD1-CG 4.33Å
886T95.5Very high88.1Confident2 Ų222.8 Ų22.81%0.01211%0.108CC..Hα-helixtrans-63.9-43.4177.9-56.10000111.5Y19 M467 W468 T471 V882 L883 G889 T890Y19-T886 WeakPolarHBondContact CE2-OG1 3.32Å; Y19-T886 PolarHBondContact OH-OG1 3.34Å; M467-T886 HydrophobicContact CB-CG2 4.2Å; W468-T886 HydrophobicContact CD2-CG2 3.55Å; W468-T886 HydrophobicContact CE3-CG2 4.04Å; W468-T886 HydrophobicContact CG-CG2 3.75Å; W468-T886 HydrophobicContact CZ2-CG2 4.11Å; T471-T886 PolarHBondContact OG1-OG1 2.86Å; V882-T886 WeakPolarHBondContact O-CB 3.42Å; V882-T886 PolarHBondContact O-N 3.46Å; V882-T886 PolarHBondContact O-OG1 2.88Å; L883-T886 PolarHBondContact O-N 3.39Å; T886-G889 PolarHBondContact O-N 3.36Å; T886-T890 WeakPolarHBondContact O-CB 3.48Å; T886-T890 PolarHBondContact O-N 3.48Å; T886-T890 PolarHBondContact O-OG1 2.95Å
887L94.6Very high88.1Confident25 Ų2526.3 Ų26.313%0.13114%0.135CC..Hα-helixtrans-67.1-43.4176.1-78.8171.3000111.8W468 A536 L883 G889 T890 F891W468-L887 HydrophobicContact CH2-CD2 3.79Å; W468-L887 HydrophobicContact CH2-CG 4.32Å; W468-L887 HydrophobicContact CZ2-CD2 3.81Å; W468-L887 HydrophobicContact CZ2-CG 4.47Å; A536-L887 HydrophobicContact CB-CD1 3.63Å; L883-L887 HydrophobicContact CD1-CD1 3.83Å; L883-L887 HydrophobicContact CD1-CG 4.27Å; L883-L887 HydrophobicContact CG-CD1 4.06Å; L883-L887 PolarHBondContact O-N 3.38Å; L887-G889 VanDerWaalsContact C-N 3.33Å; L887-G889 PolarHBondContact O-N 3.32Å; L887-T890 CarbonylContact O-C 3.01Å; L887-T890 WeakPolarHBondContact O-CA 3.49Å; L887-T890 WeakPolarHBondContact O-CB 3.35Å; L887-T890 PolarHBondContact O-N 3.09Å; L887-T890 VanDerWaalsContact O-N 3.09Å; L887-F891 HydrophobicContact CB-CE2 3.93Å; L887-F891 HydrophobicContact CB-CZ 4.33Å; L887-F891 HydrophobicContact CD2-CZ 4.15Å; L887-F891 WeakPolarHBondContact O-CD2 3.47Å; L887-F891 VanDerWaalsContact O-CG 3.27Å; L887-F891 WeakPolarHBondContact O-CG 3.46Å; L887-F891 PolarHBondContact O-N 3.18Å
888C94.2Very high88.1Confident1 Ų129.9 Ų29.91%0.00715%0.151CC..Hα-helixtrans-56.4-46.7174-170.80000111.4L539 P884 I885 T890 F891 C892 M909L539-C888 HydrophobicContact CD1-CB 4.38Å; P884-C888 WeakPolarHBondContact O-CB 3.43Å; P884-C888 PolarHBondContact O-N 2.87Å; I885-C888 PolarHBondContact O-N 3.23Å; C888-T890 VanDerWaalsContact C-N 3.32Å; C888-T890 PolarHBondContact O-N 3.38Å; C888-F891 PolarHBondContact O-N 3.45Å; C888-C892 PolarHBondContact O-N 3.41Å; C888-C892 PolarHBondContact O-SG 3.41Å; C888-M909 HydrophobicContact CB-SD 4.07Å
889G94Very high87.6Confident2 Ų235.7 Ų35.72%0.02118%0.182CC..Hα-helixtrans-61.2-40.5175.200000112.5F26 I885 T886 L887 F891 C892 F893 M909F26-G889 WeakPolarHBondContact CE2-O 3.29Å; F26-G889 WeakPolarHBondContact CZ-O 3.35Å; I885-G889 PolarHBondContact O-N 3.04Å; T886-G889 PolarHBondContact O-N 3.36Å; L887-G889 VanDerWaalsContact C-N 3.33Å; L887-G889 PolarHBondContact O-N 3.32Å; G889-F891 PolarHBondContact O-N 3.03Å; G889-C892 PolarHBondContact O-N 3.45Å; G889-F893 PolarHBondContact O-N 2.94Å; G889-M909 PolarHBondContact N-SD 2.96Å; G889-M909 VanDerWaalsContact N-SD 3.44Å
890T94.5Very high87.3Confident25 Ų2539.4 Ų39.415%0.15320%0.198CC..Hα-helixtrans-61.1-44.6175.2-56.10000111.5W468 T886 L887 C888 F893 F894W468-T890 PolarHBondContact NE1-OG1 3.13Å; T886-T890 WeakPolarHBondContact O-CB 3.48Å; T886-T890 PolarHBondContact O-N 3.48Å; T886-T890 PolarHBondContact O-OG1 2.95Å; L887-T890 CarbonylContact O-C 3.01Å; L887-T890 WeakPolarHBondContact O-CA 3.49Å; L887-T890 WeakPolarHBondContact O-CB 3.35Å; L887-T890 PolarHBondContact O-N 3.09Å; L887-T890 VanDerWaalsContact O-N 3.09Å; C888-T890 VanDerWaalsContact C-N 3.32Å; C888-T890 PolarHBondContact O-N 3.38Å; T890-F893 WeakPolarHBondContact O-CB 3.29Å; T890-F893 PolarHBondContact O-N 2.86Å; T890-F894 HydrophobicContact CG2-CD2 3.71Å; T890-F894 HydrophobicContact CG2-CE2 3.49Å; T890-F894 VanDerWaalsContact CG2-CE2 3.49Å; T890-F894 WeakPolarHBondContact O-CD2 3.09Å; T890-F894 PolarHBondContact O-N 2.93Å
891F93Very high87.1Confident34 Ų3438.9 Ų38.915%0.14920%0.196CC..Hα-helixtrans-66.1-41176.2-58.9-41.4000111.9L539 A540 L887 C888 G889 F893 F894 L895L539-F891 HydrophobicContact CB-CD2 4.25Å; L539-F891 HydrophobicContact CB-CE2 4.28Å; A540-F891 HydrophobicContact CB-CD1 3.87Å; A540-F891 HydrophobicContact CB-CD2 3.97Å; A540-F891 HydrophobicContact CB-CE1 3.66Å; A540-F891 HydrophobicContact CB-CE2 3.75Å; A540-F891 HydrophobicContact CB-CG 4.04Å; A540-F891 HydrophobicContact CB-CZ 3.61Å; L887-F891 HydrophobicContact CB-CE2 3.93Å; L887-F891 HydrophobicContact CB-CZ 4.33Å; L887-F891 HydrophobicContact CD2-CZ 4.15Å; L887-F891 WeakPolarHBondContact O-CD2 3.47Å; L887-F891 VanDerWaalsContact O-CG 3.27Å; L887-F891 WeakPolarHBondContact O-CG 3.46Å; L887-F891 PolarHBondContact O-N 3.18Å; C888-F891 PolarHBondContact O-N 3.45Å; G889-F891 PolarHBondContact O-N 3.03Å; F891-F893 PolarHBondContact O-N 3.29Å; F891-F894 PolarHBondContact O-N 3.17Å; F891-L895 HydrophobicContact CB-CD1 4.45Å; F891-L895 WeakPolarHBondContact O-CA 3.22Å; F891-L895 WeakPolarHBondContact O-CB 3.2Å; F891-L895 WeakPolarHBondContact O-CG 3.28Å; F891-L895 PolarHBondContact O-N 3.22Å
892C90.3Very high86.4Confident0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-57.1-38.7172.3-70.50000112.1F26 L30 C888 G889 R896 I901 F905F26-C892 HydrophobicContact CZ-CB 4.19Å; L30-C892 HydrophobicContact CD1-CB 4.16Å; C888-C892 PolarHBondContact O-N 3.41Å; C888-C892 PolarHBondContact O-SG 3.41Å; G889-C892 PolarHBondContact O-N 3.45Å; C892-R896 WeakPolarHBondContact O-CA 3.26Å; C892-R896 WeakPolarHBondContact O-CB 3.31Å; C892-R896 PolarHBondContact O-N 3.06Å; C892-I901 HydrophobicContact CB-CD1 4.2Å; C892-F905 PolarHBondContact SG-O 2.75Å; C892-F905 VanDerWaalsContact SG-O 3.42Å
893F90.4Very high85.6Confident38 Ų3843.4 Ų43.417%0.16722%0.218CC..Hα-helixtrans-67.7-46.6177.1174.4-103000112.8F26 N457 M460 I461 G889 T890 F891 R896F26-F893 HydrophobicContact CE2-CB 4.49Å; N457-F893 HydrophobicContact CB-CE2 4.45Å; M460-F893 HydrophobicContact CB-CD2 4.01Å; M460-F893 HydrophobicContact CE-CB 4Å; M460-F893 HydrophobicContact CE-CD2 4.18Å; M460-F893 HydrophobicContact SD-CD2 4.47Å; I461-F893 HydrophobicContact CD1-CE2 3.96Å; I461-F893 HydrophobicContact CD1-CZ 3.8Å; I461-F893 HydrophobicContact CG1-CD2 4.35Å; I461-F893 HydrophobicContact CG1-CE1 4.42Å; I461-F893 HydrophobicContact CG1-CE2 3.54Å; I461-F893 HydrophobicContact CG1-CZ 3.58Å; G889-F893 PolarHBondContact O-N 2.94Å; T890-F893 WeakPolarHBondContact O-CB 3.29Å; T890-F893 PolarHBondContact O-N 2.86Å; F891-F893 PolarHBondContact O-N 3.29Å; F893-R896 WeakPolarHBondContact O-CB 3.49Å; F893-R896 WeakPolarHBondContact O-CD 3.28Å; F893-R896 VanDerWaalsContact O-CG 3.31Å; F893-R896 WeakPolarHBondContact O-CG 3.49Å; F893-R896 PolarHBondContact O-NH1 3.27Å
894F89.3Confident85.2Confident140 Ų14042.5 Ų42.561%0.61421%0.213SC*.Hα-helixtrans-72.8-35.8179.9-73.8-64.8000112.9T890 F891 R896T890-F894 HydrophobicContact CG2-CD2 3.71Å; T890-F894 HydrophobicContact CG2-CE2 3.49Å; T890-F894 VanDerWaalsContact CG2-CE2 3.49Å; T890-F894 WeakPolarHBondContact O-CD2 3.09Å; T890-F894 PolarHBondContact O-N 2.93Å; F891-F894 PolarHBondContact O-N 3.17Å; F894-R896 VanDerWaalsContact C-N 3.33Å
895L85.6Confident85Confident48 Ų4841.9 Ų41.925%0.25121%0.209SC..THydrogen-bonded Turntrans-94.518.2180-57.8177.8000112.7F891 S897 H898 F905F891-L895 HydrophobicContact CB-CD1 4.45Å; F891-L895 WeakPolarHBondContact O-CA 3.22Å; F891-L895 WeakPolarHBondContact O-CB 3.2Å; F891-L895 WeakPolarHBondContact O-CG 3.28Å; F891-L895 PolarHBondContact O-N 3.22Å; L895-S897 PolarHBondContact O-N 3.4Å; L895-S897 VanDerWaalsContact O-N 3.11Å; L895-H898 HydrophobicContact CB-CB 3.88Å; L895-H898 HydrophobicContact CD2-CB 4.48Å; L895-H898 WeakPolarHBondContact O-CB 3.35Å; L895-H898 PolarHBondContact O-N 2.84Å; L895-F905 HydrophobicContact CB-CD2 4.49Å; L895-F905 HydrophobicContact CB-CE2 4.42Å; L895-F905 HydrophobicContact CD1-CD1 4.34Å; L895-F905 HydrophobicContact CD1-CD2 4.25Å; L895-F905 HydrophobicContact CD1-CE1 3.72Å; L895-F905 HydrophobicContact CD1-CE2 3.61Å; L895-F905 HydrophobicContact CD1-CZ 3.31Å
896R79.2Confident84.5Confident72 Ų7241.7 Ų41.727%0.27221%0.208SC..THydrogen-bonded Turntrans-56.5-29.3-17966.9-178.6-179.6-76-4114.4V452 L455 N457 C892 F893 F894V452-R896 WeakPolarHBondContact CG1-O 3.42Å; L455-R896 HydrophobicContact CD1-CB 3.57Å; N457-R896 WeakPolarHBondContact OD1-CD 3.46Å; N457-R896 PolarHBondContact OD1-NE 2.96Å; C892-R896 WeakPolarHBondContact O-CA 3.26Å; C892-R896 WeakPolarHBondContact O-CB 3.31Å; C892-R896 PolarHBondContact O-N 3.06Å; F893-R896 WeakPolarHBondContact O-CB 3.49Å; F893-R896 WeakPolarHBondContact O-CD 3.28Å; F893-R896 VanDerWaalsContact O-CG 3.31Å; F893-R896 WeakPolarHBondContact O-CG 3.49Å; F893-R896 PolarHBondContact O-NH1 3.27Å; F894-R896 VanDerWaalsContact C-N 3.33Å
897S70.6Confident84.1Confident96 Ų9641.9 Ų41.967%0.67121%0.209SC*.THydrogen-bonded Turntrans-95.32.7177.7-55.10000112.9L895L895-S897 PolarHBondContact O-N 3.4Å; L895-S897 VanDerWaalsContact O-N 3.11Å
898H74.3Confident83.9Confident76 Ų7641.5 Ų41.535%0.35221%0.206SC..SBendtrans-77.7142-179.4-166.4-83.7000110.7L895 F900 I901L895-H898 HydrophobicContact CB-CB 3.88Å; L895-H898 HydrophobicContact CD2-CB 4.48Å; L895-H898 WeakPolarHBondContact O-CB 3.35Å; L895-H898 PolarHBondContact O-N 2.84Å; H898-F900 AromaticContact CE1-CD2 3.35Å; H898-F900 WeakPolarHBondContact CE1-CD2 3.46Å; H898-F900 AromaticContact ND1-CD2 3.81Å; H898-F900 PolarHBondContact ND1-N 3.4Å; H898-F900 PolarHBondContact O-N 2.91Å; H898-F900 VanDerWaalsContact O-N 3.11Å; H898-I901 WeakPolarHBondContact O-CB 3.32Å; H898-I901 WeakPolarHBondContact O-CG2 3.47Å; H898-I901 PolarHBondContact O-N 3.32Å
899L69.1Low83.8Confident138 Ų13841.5 Ų41.572%0.72321%0.206SC*.THydrogen-bonded Turntrans-54.6-35.6-177.4-173.169000113.5
900F77.1Confident83.5Confident77 Ų7742.1 Ų42.134%0.33821%0.209SC..THydrogen-bonded Turntrans-87.19.8179.9-57.7-52.9000115.5S542 H898 W902 T903 V904 F905S542-F900 WeakPolarHBondContact OG-CD2 3.38Å; H898-F900 AromaticContact CE1-CD2 3.35Å; H898-F900 WeakPolarHBondContact CE1-CD2 3.46Å; H898-F900 AromaticContact ND1-CD2 3.81Å; H898-F900 PolarHBondContact ND1-N 3.4Å; H898-F900 PolarHBondContact O-N 2.91Å; H898-F900 VanDerWaalsContact O-N 3.11Å; F900-W902 VanDerWaalsContact C-N 3.27Å; F900-W902 PolarHBondContact O-N 2.88Å; F900-T903 WeakPolarHBondContact CA-OG1 3.42Å; F900-T903 WeakPolarHBondContact CD1-OG1 3.42Å; F900-T903 PolarHBondContact O-N 3.07Å; F900-V904 HydrophobicContact CB-CB 4.18Å; F900-V904 HydrophobicContact CB-CG2 4.05Å; F900-V904 HydrophobicContact CG-CG2 4.47Å; F900-V904 PolarHBondContact O-N 3.2Å; F900-F905 HydrophobicContact CB-CD2 4.41Å; F900-F905 HydrophobicContact CB-CE2 4.25Å; F900-F905 PolarHBondContact O-N 3.14Å
901I79.9Confident83.3Confident1 Ų141.5 Ų41.51%0.00520%0.204CC..Iπ-helixtrans-55.8-43.3179.1-174.159.6000111.5V452 C892 H898 F905 A906V452-I901 HydrophobicContact CG2-CG2 4.44Å; C892-I901 HydrophobicContact CB-CD1 4.2Å; H898-I901 WeakPolarHBondContact O-CB 3.32Å; H898-I901 WeakPolarHBondContact O-CG2 3.47Å; H898-I901 PolarHBondContact O-N 3.32Å; I901-F905 HydrophobicContact CD1-CB 3.95Å; I901-F905 PolarHBondContact O-N 3.33Å; I901-A906 WeakPolarHBondContact O-CB 3.48Å; I901-A906 PolarHBondContact O-N 3.26Å
902W73.1Confident83.3Confident48 Ų4840.3 Ų40.318%0.18220%0.2CC..Iπ-helixtrans-88.9-24.3-176.5-59.1117.3000114.5F116 E453 L455 F900 A906 P907F116-W902 HydrophobicContact CB-CE3 4.11Å; F116-W902 HydrophobicContact CB-CZ3 3.95Å; F116-W902 HydrophobicContact CD2-CE3 4.43Å; F116-W902 HydrophobicContact CG-CE3 4.33Å; F116-W902 HydrophobicContact CG-CZ3 4.38Å; E453-W902 HydrophobicContact CB-CZ2 4.02Å; E453-W902 HydrophobicContact CG-CZ2 4.41Å; L455-W902 HydrophobicContact CD1-CZ2 4.42Å; L455-W902 HydrophobicContact CD2-CH2 3.85Å; L455-W902 HydrophobicContact CD2-CZ2 4.21Å; L455-W902 HydrophobicContact CG-CH2 4.46Å; L455-W902 HydrophobicContact CG-CZ2 4.35Å; F900-W902 VanDerWaalsContact C-N 3.27Å; F900-W902 PolarHBondContact O-N 2.88Å; W902-A906 HydrophobicContact CE3-CB 3.93Å; W902-A906 HydrophobicContact CZ3-CB 4.18Å; W902-P907 VanDerWaalsContact O-CD 3.26Å; W902-P907 WeakPolarHBondContact O-CD 3.26Å; W902-P907 WeakPolarHBondContact O-CG 3.34Å
903T74.3Confident83.4Confident48 Ų4840.6 Ų40.629%0.29420%0.202SC..Iπ-helixtrans-90.8-22.9-178.559.20000113F900F900-T903 WeakPolarHBondContact CA-OG1 3.42Å; F900-T903 WeakPolarHBondContact CD1-OG1 3.42Å; F900-T903 PolarHBondContact O-N 3.07Å
904V83.7Confident83.4Confident0 Ų041 Ų410%021%0.207CC..Iπ-helixtrans-130.7-61.4-173.3179.30000111.7A545 E546 L816 F900 K908A545-V904 HydrophobicContact CB-CG1 3.73Å; E546-V904 HydrophobicContact CG-CG1 4.27Å; E546-V904 HydrophobicContact CG-CG2 3.93Å; L816-V904 HydrophobicContact CD2-CB 4.06Å; L816-V904 HydrophobicContact CD2-CG1 3.47Å; L816-V904 VanDerWaalsContact CD2-CG1 3.47Å; L816-V904 HydrophobicContact CD2-CG2 4.47Å; F900-V904 HydrophobicContact CB-CB 4.18Å; F900-V904 HydrophobicContact CB-CG2 4.05Å; F900-V904 HydrophobicContact CG-CG2 4.47Å; F900-V904 PolarHBondContact O-N 3.2Å; V904-K908 WeakPolarHBondContact O-CB 3.49Å; V904-K908 PolarHBondContact O-N 3.25Å
905F88Confident83.6Confident5 Ų534.6 Ų34.62%0.02218%0.179CC..Iπ-helixtrans-72.9-47.7-167-64.6-70.1000113.8L539 C892 L895 F900 I901 K908 M909L539-F905 WeakPolarHBondContact O-CE1 3.3Å; C892-F905 PolarHBondContact SG-O 2.75Å; C892-F905 VanDerWaalsContact SG-O 3.42Å; L895-F905 HydrophobicContact CB-CD2 4.49Å; L895-F905 HydrophobicContact CB-CE2 4.42Å; L895-F905 HydrophobicContact CD1-CD1 4.34Å; L895-F905 HydrophobicContact CD1-CD2 4.25Å; L895-F905 HydrophobicContact CD1-CE1 3.72Å; L895-F905 HydrophobicContact CD1-CE2 3.61Å; L895-F905 HydrophobicContact CD1-CZ 3.31Å; F900-F905 HydrophobicContact CB-CD2 4.41Å; F900-F905 HydrophobicContact CB-CE2 4.25Å; F900-F905 PolarHBondContact O-N 3.14Å; I901-F905 HydrophobicContact CD1-CB 3.95Å; I901-F905 PolarHBondContact O-N 3.33Å; F905-K908 WeakPolarHBondContact O-CB 3.27Å; F905-K908 PolarHBondContact O-N 3.09Å; F905-M909 WeakPolarHBondContact O-CB 3.47Å; F905-M909 PolarHBondContact O-N 3.47Å
906A84.5Confident83.9Confident0 Ų032.3 Ų32.30%017%0.167CC..Hα-helixtrans-65.1-43.2177.400000112.4L30 I901 W902 K908 M909 L910L30-A906 HydrophobicContact CD2-CB 4.3Å; I901-A906 WeakPolarHBondContact O-CB 3.48Å; I901-A906 PolarHBondContact O-N 3.26Å; W902-A906 HydrophobicContact CE3-CB 3.93Å; W902-A906 HydrophobicContact CZ3-CB 4.18Å; A906-K908 VanDerWaalsContact C-N 3.33Å; A906-K908 PolarHBondContact O-N 3.46Å; A906-M909 PolarHBondContact O-N 2.85Å; A906-L910 PolarHBondContact O-N 3.46Å
907P85.6Confident84.3Confident6 Ų633.9 Ų33.94%0.03918%0.18CC..Hα-helixtrans-53.2-47.7167.4-27.434.1000112.6F116 L816 F818 W902 M909 L910 Y911F116-P907 HydrophobicContact CE2-CG 4.13Å; F116-P907 HydrophobicContact CZ-CG 4.19Å; L816-P907 HydrophobicContact CD1-CB 4.25Å; F818-P907 HydrophobicContact CE2-CB 3.7Å; F818-P907 HydrophobicContact CE2-CG 3.94Å; F818-P907 HydrophobicContact CZ-CB 4.03Å; W902-P907 VanDerWaalsContact O-CD 3.26Å; W902-P907 WeakPolarHBondContact O-CD 3.26Å; W902-P907 WeakPolarHBondContact O-CG 3.34Å; P907-M909 VanDerWaalsContact C-N 3.28Å; P907-M909 PolarHBondContact O-N 3.41Å; P907-L910 PolarHBondContact O-N 3.02Å; P907-L910 VanDerWaalsContact O-N 3.14Å; P907-Y911 WeakPolarHBondContact O-CD2 3.48Å; P907-Y911 PolarHBondContact O-N 3.43Å
908K90.7Very high85.1Confident17 Ų1730.2 Ų30.27%0.07415%0.154CC..Hα-helixtrans-59.8-43179.8-176.658.3-175.6-177.90111.2E548 L816 V904 F905 A906 Y911 S912E548-K908 VanDerWaalsContact CD-NZ 3.28Å; E548-K908 IonicContact OE1-NZ 2.85Å; E548-K908 PolarHBondContact OE1-NZ 2.93Å; E548-K908 IonicContact OE2-NZ 3.32Å; E548-K908 PolarHBondContact OE2-NZ 3.32Å; L816-K908 HydrophobicContact CD1-CB 3.36Å; L816-K908 HydrophobicContact CD1-CD 3.83Å; L816-K908 HydrophobicContact CD1-CG 4.14Å; L816-K908 VanDerWaalsContact CD1-N 3.3Å; V904-K908 WeakPolarHBondContact O-CB 3.49Å; V904-K908 PolarHBondContact O-N 3.25Å; F905-K908 WeakPolarHBondContact O-CB 3.27Å; F905-K908 PolarHBondContact O-N 3.09Å; A906-K908 VanDerWaalsContact C-N 3.33Å; A906-K908 PolarHBondContact O-N 3.46Å; K908-Y911 PolarHBondContact O-N 3.38Å; K908-S912 VanDerWaalsContact O-CB 3.26Å; K908-S912 WeakPolarHBondContact O-CB 3.39Å; K908-S912 PolarHBondContact O-N 3.16Å; K908-S912 PolarHBondContact O-OG 3.16Å
909M91.7Very high85.7Confident0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-64.4-41.8179.1-172.860.8-158.400111.2L23 F26 M27 L30 M467 I885 C888 G889 F905 A906 P907 S912 A913L23-M909 HydrophobicContact CD1-CE 3.33Å; F26-M909 HydrophobicContact CD1-CE 3.96Å; F26-M909 HydrophobicContact CE1-CE 4.17Å; F26-M909 HydrophobicContact CE1-CG 4.15Å; F26-M909 HydrophobicContact CE1-SD 4.44Å; M27-M909 HydrophobicContact SD-CE 3.99Å; M27-M909 HydrophobicContact SD-CG 3.7Å; L30-M909 HydrophobicContact CD2-CB 4.09Å; L30-M909 HydrophobicContact CD2-CG 3.9Å; M467-M909 HydrophobicContact CE-CE 4.02Å; I885-M909 HydrophobicContact CG2-CE 3.95Å; I885-M909 HydrophobicContact CG2-SD 4.49Å; C888-M909 HydrophobicContact CB-SD 4.07Å; G889-M909 PolarHBondContact N-SD 2.96Å; G889-M909 VanDerWaalsContact N-SD 3.44Å; F905-M909 WeakPolarHBondContact O-CB 3.47Å; F905-M909 PolarHBondContact O-N 3.47Å; A906-M909 PolarHBondContact O-N 2.85Å; P907-M909 VanDerWaalsContact C-N 3.28Å; P907-M909 PolarHBondContact O-N 3.41Å; M909-S912 WeakPolarHBondContact O-CB 3.36Å; M909-S912 PolarHBondContact O-N 3.3Å; M909-A913 WeakPolarHBondContact O-CB 3.39Å; M909-A913 PolarHBondContact O-N 3.01Å
910L89.1Confident86.2Confident16 Ų1620.5 Ų20.58%0.08411%0.106CC..Hα-helixtrans-63.8-48.8175.8-172.166.5000111.4M27 M31 F116 L120 F818 A906 P907 S912 A913 V914M27-L910 HydrophobicContact CE-CB 4.31Å; M27-L910 HydrophobicContact CE-CD1 3.71Å; M31-L910 HydrophobicContact CE-CD1 4.29Å; M31-L910 HydrophobicContact SD-CD1 4.43Å; F116-L910 HydrophobicContact CE1-CB 4.31Å; F116-L910 HydrophobicContact CE1-CD2 3.84Å; F116-L910 HydrophobicContact CZ-CD2 4.27Å; L120-L910 HydrophobicContact CD1-CD1 4.35Å; F818-L910 HydrophobicContact CE1-CD2 3.77Å; F818-L910 HydrophobicContact CZ-CB 4.3Å; F818-L910 HydrophobicContact CZ-CD2 3.62Å; F818-L910 HydrophobicContact CZ-CG 4.45Å; A906-L910 PolarHBondContact O-N 3.46Å; P907-L910 PolarHBondContact O-N 3.02Å; P907-L910 VanDerWaalsContact O-N 3.14Å; L910-S912 VanDerWaalsContact C-N 3.26Å; L910-S912 PolarHBondContact O-N 3.05Å; L910-A913 PolarHBondContact O-N 2.92Å; L910-A913 VanDerWaalsContact O-N 3.11Å; L910-V914 HydrophobicContact CD1-CG2 4.38Å; L910-V914 HydrophobicContact CG-CG2 4.37Å; L910-V914 WeakPolarHBondContact O-CG2 3.35Å; L910-V914 PolarHBondContact O-N 3.11Å
911Y90.7Very high86.3Confident12 Ų1219.9 Ų19.95%0.04711%0.109CC..Hα-helixtrans-54.4-44.8174-91.4-85.6000111.5F809 S815 L816 S817 F818 I821 T846 Y847 P907 K908 A913 V914 F915F809-Y911 HydrophobicContact CZ-CD1 4.41Å; F809-Y911 HydrophobicContact CZ-CE1 4.33Å; S815-Y911 PolarHBondContact O-OH 3.02Å; L816-Y911 WeakPolarHBondContact O-CE2 3.4Å; S817-Y911 PolarHBondContact O-OH 3.48Å; F818-Y911 HydrophobicContact CD1-CE2 4.02Å; F818-Y911 HydrophobicContact CE1-CD2 4.19Å; F818-Y911 AromaticContact CE1-CE2 3.86Å; F818-Y911 HydrophobicContact CE1-CE2 3.86Å; F818-Y911 HydrophobicContact CZ-CE2 4.4Å; I821-Y911 HydrophobicContact CD1-CE1 4.09Å; I821-Y911 WeakPolarHBondContact CD1-OH 3.4Å; I821-Y911 HydrophobicContact CG1-CE1 4.16Å; I821-Y911 WeakPolarHBondContact CG1-OH 3.26Å; T846-Y911 HydrophobicContact CG2-CE1 4.26Å; Y847-Y911 HydrophobicContact CE1-CD1 4.29Å; Y847-Y911 WeakPolarHBondContact OH-CA 3.46Å; Y847-Y911 VanDerWaalsContact OH-CD1 3.24Å; Y847-Y911 WeakPolarHBondContact OH-CD1 3.37Å; Y847-Y911 PolarHBondContact OH-O 3Å; P907-Y911 WeakPolarHBondContact O-CD2 3.48Å; P907-Y911 PolarHBondContact O-N 3.43Å; K908-Y911 PolarHBondContact O-N 3.38Å; Y911-A913 VanDerWaalsContact C-N 3.34Å; Y911-A913 PolarHBondContact O-N 3.3Å; Y911-V914 PolarHBondContact O-N 3.3Å; Y911-F915 WeakPolarHBondContact O-CB 3.23Å; Y911-F915 PolarHBondContact O-N 2.71Å
912S92.2Very high86Confident9 Ų922.5 Ų22.56%0.06312%0.121CC..Hα-helixtrans-64.2-38.5178.7-610000112.3I885 K908 M909 L910 Y916I885-S912 WeakPolarHBondContact CD1-O 3.27Å; K908-S912 VanDerWaalsContact O-CB 3.26Å; K908-S912 WeakPolarHBondContact O-CB 3.39Å; K908-S912 PolarHBondContact O-N 3.16Å; K908-S912 PolarHBondContact O-OG 3.16Å; M909-S912 WeakPolarHBondContact O-CB 3.36Å; M909-S912 PolarHBondContact O-N 3.3Å; L910-S912 VanDerWaalsContact C-N 3.26Å; L910-S912 PolarHBondContact O-N 3.05Å; S912-Y916 WeakPolarHBondContact O-CB 3.4Å; S912-Y916 PolarHBondContact O-N 3.17Å
913A92.1Very high85.8Confident5 Ų521.4 Ų21.44%0.04112%0.119CC..Hα-helixtrans-68.9-46.4176.800000112.1L23 M27 M909 L910 Y911 F915 Y916 L917L23-A913 HydrophobicContact CD1-CB 4.06Å; L23-A913 HydrophobicContact CD2-CB 4.06Å; L23-A913 HydrophobicContact CG-CB 4.34Å; M27-A913 HydrophobicContact CG-CB 4.35Å; M27-A913 HydrophobicContact SD-CB 4.28Å; M909-A913 WeakPolarHBondContact O-CB 3.39Å; M909-A913 PolarHBondContact O-N 3.01Å; L910-A913 PolarHBondContact O-N 2.92Å; L910-A913 VanDerWaalsContact O-N 3.11Å; Y911-A913 VanDerWaalsContact C-N 3.34Å; Y911-A913 PolarHBondContact O-N 3.3Å; A913-F915 VanDerWaalsContact C-N 3.34Å; A913-Y916 WeakPolarHBondContact O-CB 3.46Å; A913-Y916 PolarHBondContact O-N 3.06Å; A913-L917 WeakPolarHBondContact O-CG 3.2Å; A913-L917 PolarHBondContact O-N 3.02Å
914V90.7Very high85.6Confident47 Ų4720.4 Ų20.429%0.28511%0.113SC..Hα-helixtrans-66.1-39.1177.5-177.70000110.6Y847 L910 Y911 Y916 L917 T918Y847-V914 HydrophobicContact CE2-CB 4.13Å; Y847-V914 HydrophobicContact CE2-CG1 3.67Å; L910-V914 HydrophobicContact CD1-CG2 4.38Å; L910-V914 HydrophobicContact CG-CG2 4.37Å; L910-V914 WeakPolarHBondContact O-CG2 3.35Å; L910-V914 PolarHBondContact O-N 3.11Å; Y911-V914 PolarHBondContact O-N 3.3Å; V914-Y916 VanDerWaalsContact C-N 3.33Å; V914-Y916 PolarHBondContact O-N 3.2Å; V914-L917 PolarHBondContact O-N 2.9Å; V914-T918 WeakPolarHBondContact O-CB 3.45Å; V914-T918 PolarHBondContact O-N 3.33Å; V914-T918 PolarHBondContact O-OG1 3.44Å
915F92.9Very high84.7Confident5 Ų525.1 Ų25.12%0.02214%0.137CC..Hα-helixtrans-55.3-49.1171.3170.9-106.1000111.2W802 W806 Y847 P850 I881 Y911 A913 L917 T918 M919W802-F915 AromaticContact CH2-CE1 3.96Å; W802-F915 HydrophobicContact CH2-CE1 3.96Å; W802-F915 AromaticContact CH2-CZ 3.62Å; W802-F915 HydrophobicContact CH2-CZ 3.62Å; W802-F915 HydrophobicContact CZ3-CZ 4.05Å; W806-F915 HydrophobicContact CH2-CD1 4.35Å; W806-F915 HydrophobicContact CH2-CD2 4Å; W806-F915 HydrophobicContact CH2-CE1 4.38Å; W806-F915 HydrophobicContact CH2-CE2 4.01Å; W806-F915 HydrophobicContact CH2-CG 4.15Å; W806-F915 HydrophobicContact CH2-CZ 4.2Å; W806-F915 HydrophobicContact CZ2-CD1 4.24Å; W806-F915 HydrophobicContact CZ2-CD2 4.23Å; W806-F915 AromaticContact CZ2-CE1 3.84Å; W806-F915 HydrophobicContact CZ2-CE1 3.84Å; W806-F915 AromaticContact CZ2-CE2 3.81Å; W806-F915 HydrophobicContact CZ2-CE2 3.81Å; W806-F915 HydrophobicContact CZ2-CG 4.42Å; W806-F915 AromaticContact CZ2-CZ 3.6Å; W806-F915 HydrophobicContact CZ2-CZ 3.6Å; Y847-F915 HydrophobicContact CD1-CB 4Å; Y847-F915 AromaticContact CD1-CD2 3.64Å; Y847-F915 HydrophobicContact CD1-CD2 3.64Å; Y847-F915 HydrophobicContact CD1-CG 4.3Å; Y847-F915 HydrophobicContact CE1-CB 3.66Å; Y847-F915 HydrophobicContact CE1-CD2 4.16Å; Y847-F915 HydrophobicContact CE1-CG 4.37Å; Y847-F915 HydrophobicContact CG-CD2 4.12Å; P850-F915 HydrophobicContact CB-CE2 3.68Å; P850-F915 HydrophobicContact CB-CZ 4.37Å; P850-F915 HydrophobicContact CG-CE2 4.14Å; I881-F915 HydrophobicContact CG2-CE1 4.16Å; Y911-F915 WeakPolarHBondContact O-CB 3.23Å; Y911-F915 PolarHBondContact O-N 2.71Å; A913-F915 VanDerWaalsContact C-N 3.34Å; F915-L917 PolarHBondContact O-N 3.3Å; F915-T918 PolarHBondContact O-N 2.87Å; F915-M919 HydrophobicContact CD1-CG 4.4Å; F915-M919 HydrophobicContact CD2-CG 3.55Å; F915-M919 HydrophobicContact CD2-SD 4.43Å; F915-M919 HydrophobicContact CE1-CG 4.1Å; F915-M919 HydrophobicContact CE2-CB 4.48Å; F915-M919 HydrophobicContact CE2-CE 4.38Å; F915-M919 HydrophobicContact CE2-CG 3.18Å; F915-M919 HydrophobicContact CE2-SD 3.74Å; F915-M919 HydrophobicContact CG-CG 4.17Å; F915-M919 HydrophobicContact CZ-CB 4.47Å; F915-M919 HydrophobicContact CZ-CE 4.35Å; F915-M919 HydrophobicContact CZ-CG 3.49Å; F915-M919 VanDerWaalsContact CZ-CG 3.49Å; F915-M919 HydrophobicContact CZ-SD 4.23Å; F915-M919 VanDerWaalsContact O-CB 3.31Å; F915-M919 WeakPolarHBondContact O-CB 3.49Å; F915-M919 VanDerWaalsContact O-CG 3.28Å; F915-M919 WeakPolarHBondContact O-CG 3.18Å; F915-M919 PolarHBondContact O-N 3.34Å
916Y92Very high83.3Confident1 Ų128.2 Ų28.20%0.00415%0.149CC..Hα-helixtrans-59.6-47.3176.9174.2-86.3000112.1L16 Y19 S20 L23 V882 I885 S912 A913 V914 T918 M919 V920L16-Y916 HydrophobicContact CD2-CE2 4.23Å; L16-Y916 PolarHBondContact O-OH 3.48Å; Y19-Y916 HydrophobicContact CD1-CD2 4.06Å; Y19-Y916 HydrophobicContact CD1-CE1 4.09Å; Y19-Y916 AromaticContact CD1-CE2 3.38Å; Y19-Y916 HydrophobicContact CD1-CE2 3.38Å; Y19-Y916 AromaticContact CD1-CZ 3.43Å; Y19-Y916 VanDerWaalsContact CD1-CZ 3.43Å; Y19-Y916 AromaticContact CE1-CD2 3.89Å; Y19-Y916 HydrophobicContact CE1-CD2 3.89Å; Y19-Y916 AromaticContact CE1-CE2 3.68Å; Y19-Y916 HydrophobicContact CE1-CE2 3.68Å; Y19-Y916 HydrophobicContact CE1-CG 4.43Å; Y19-Y916 HydrophobicContact CG-CE2 4.32Å; S20-Y916 VanDerWaalsContact OG-CE1 3.24Å; S20-Y916 WeakPolarHBondContact OG-CE1 3.32Å; S20-Y916 PolarHBondContact OG-OH 3.39Å; L23-Y916 HydrophobicContact CD2-CD1 3.73Å; L23-Y916 HydrophobicContact CD2-CE1 4.31Å; L23-Y916 HydrophobicContact CD2-CG 4.18Å; V882-Y916 HydrophobicContact CG1-CD2 4.42Å; V882-Y916 HydrophobicContact CG1-CE2 4.05Å; I885-Y916 HydrophobicContact CD1-CD2 4.14Å; I885-Y916 HydrophobicContact CD1-CG 4.33Å; S912-Y916 WeakPolarHBondContact O-CB 3.4Å; S912-Y916 PolarHBondContact O-N 3.17Å; A913-Y916 WeakPolarHBondContact O-CB 3.46Å; A913-Y916 PolarHBondContact O-N 3.06Å; V914-Y916 VanDerWaalsContact C-N 3.33Å; V914-Y916 PolarHBondContact O-N 3.2Å; Y916-T918 PolarHBondContact O-N 3.19Å; Y916-M919 PolarHBondContact O-N 2.93Å; Y916-V920 HydrophobicContact CD1-CG2 4.45Å; Y916-V920 HydrophobicContact CD2-CG2 3.57Å; Y916-V920 HydrophobicContact CE1-CG2 4.34Å; Y916-V920 HydrophobicContact CE2-CB 4.4Å; Y916-V920 HydrophobicContact CE2-CG2 3.47Å; Y916-V920 VanDerWaalsContact CE2-CG2 3.47Å; Y916-V920 HydrophobicContact CG-CG2 4.07Å; Y916-V920 VanDerWaalsContact O-CB 3.28Å; Y916-V920 WeakPolarHBondContact O-CB 3.42Å; Y916-V920 WeakPolarHBondContact O-CG2 3.46Å; Y916-V920 PolarHBondContact O-N 3.3Å
917L88.4Confident82.1Confident104 Ų10429.9 Ų29.955%0.54516%0.16SC..Hα-helixtrans-65.6-24.1178.7-69.2172.9000113.2A913 V914 F915 P921A913-L917 WeakPolarHBondContact O-CG 3.2Å; A913-L917 PolarHBondContact O-N 3.02Å; V914-L917 PolarHBondContact O-N 2.9Å; F915-L917 PolarHBondContact O-N 3.3Å; L917-P921 WeakPolarHBondContact O-CD 3.22Å; L917-P921 WeakPolarHBondContact O-CG 3.47Å
918T87.9Confident80.6Confident19 Ų1934 Ų3412%0.11719%0.185CC..Hα-helixtrans-85.5-47.8176.7-51.50000111.1A843 L851 V914 F915 Y916 F922A843-T918 HydrophobicContact CB-CG2 4.3Å; L851-T918 HydrophobicContact CD1-CG2 3.97Å; V914-T918 WeakPolarHBondContact O-CB 3.45Å; V914-T918 PolarHBondContact O-N 3.33Å; V914-T918 PolarHBondContact O-OG1 3.44Å; F915-T918 PolarHBondContact O-N 2.87Å; Y916-T918 PolarHBondContact O-N 3.19Å; T918-F922 WeakPolarHBondContact O-CB 3.19Å
919M85.5Confident78.4Confident2 Ų238.7 Ų38.71%0.0121%0.21CC..Hα-helixtrans-73.6-43.7-175.3-71.3-68.3-64.500113.1P850 L851 Q854 F915 Y916 F922 L923P850-M919 HydrophobicContact CB-SD 4.37Å; L851-M919 HydrophobicContact CB-SD 4.28Å; L851-M919 HydrophobicContact CD2-CE 4.41Å; L851-M919 HydrophobicContact CD2-CG 4.37Å; L851-M919 HydrophobicContact CD2-SD 3.2Å; L851-M919 WeakPolarHBondContact CD2-SD 3.44Å; L851-M919 HydrophobicContact CG-SD 3.48Å; L851-M919 WeakPolarHBondContact CG-SD 3.46Å; Q854-M919 HydrophobicContact CB-CE 4.1Å; Q854-M919 HydrophobicContact CG-CE 3.78Å; F915-M919 HydrophobicContact CD1-CG 4.4Å; F915-M919 HydrophobicContact CD2-CG 3.55Å; F915-M919 HydrophobicContact CD2-SD 4.43Å; F915-M919 HydrophobicContact CE1-CG 4.1Å; F915-M919 HydrophobicContact CE2-CB 4.48Å; F915-M919 HydrophobicContact CE2-CE 4.38Å; F915-M919 HydrophobicContact CE2-CG 3.18Å; F915-M919 HydrophobicContact CE2-SD 3.74Å; F915-M919 HydrophobicContact CG-CG 4.17Å; F915-M919 HydrophobicContact CZ-CB 4.47Å; F915-M919 HydrophobicContact CZ-CE 4.35Å; F915-M919 HydrophobicContact CZ-CG 3.49Å; F915-M919 VanDerWaalsContact CZ-CG 3.49Å; F915-M919 HydrophobicContact CZ-SD 4.23Å; F915-M919 VanDerWaalsContact O-CB 3.31Å; F915-M919 WeakPolarHBondContact O-CB 3.49Å; F915-M919 VanDerWaalsContact O-CG 3.28Å; F915-M919 WeakPolarHBondContact O-CG 3.18Å; F915-M919 PolarHBondContact O-N 3.34Å; Y916-M919 PolarHBondContact O-N 2.93Å; M919-F922 WeakPolarHBondContact O-CB 3.48Å; M919-F922 PolarHBondContact O-N 3.5Å; M919-L923 WeakPolarHBondContact O-CB 3.25Å; M919-L923 VanDerWaalsContact O-CG 3.28Å; M919-L923 WeakPolarHBondContact O-CG 3.2Å; M919-L923 PolarHBondContact O-N 2.99Å
920V81.3Confident76.3Confident8 Ų840.9 Ų40.95%0.04822%0.223CC..Hα-helixtrans-68.4-50.5-169.8170.80000112.7L16 Y916 F922 L923 C924L16-V920 HydrophobicContact CB-CG1 4.37Å; L16-V920 HydrophobicContact CD1-CG1 3.86Å; L16-V920 HydrophobicContact CD2-CG1 4.01Å; L16-V920 HydrophobicContact CD2-CG2 4.41Å; L16-V920 HydrophobicContact CG-CG1 4.3Å; Y916-V920 HydrophobicContact CD1-CG2 4.45Å; Y916-V920 HydrophobicContact CD2-CG2 3.57Å; Y916-V920 HydrophobicContact CE1-CG2 4.34Å; Y916-V920 HydrophobicContact CE2-CB 4.4Å; Y916-V920 HydrophobicContact CE2-CG2 3.47Å; Y916-V920 VanDerWaalsContact CE2-CG2 3.47Å; Y916-V920 HydrophobicContact CG-CG2 4.07Å; Y916-V920 VanDerWaalsContact O-CB 3.28Å; Y916-V920 WeakPolarHBondContact O-CB 3.42Å; Y916-V920 WeakPolarHBondContact O-CG2 3.46Å; Y916-V920 PolarHBondContact O-N 3.3Å; V920-F922 PolarHBondContact O-N 3.11Å; V920-L923 PolarHBondContact O-N 3.43Å; V920-C924 WeakPolarHBondContact O-CB 2.92Å; V920-C924 PolarHBondContact O-N 3.46Å; V920-C924 PolarHBondContact O-SG 3.23Å
921P78.9Confident74Confident64 Ų6446.4 Ų46.442%0.41626%0.26SS..Hα-helixtrans-56.4-37.8174.7-26.237.2000111.5L917 C924 I925L917-P921 WeakPolarHBondContact O-CD 3.22Å; L917-P921 WeakPolarHBondContact O-CG 3.47Å; P921-C924 PolarHBondContact O-N 3.36Å; P921-I925 WeakPolarHBondContact O-CB 3.47Å; P921-I925 WeakPolarHBondContact O-CG1 3.12Å; P921-I925 PolarHBondContact O-N 3.45Å
922F71.8Confident73.1Confident56 Ų5648.2 Ų48.225%0.24627%0.271CS..Hα-helixtrans-66.9-45.1179.1-169.8-91.8000112.5F844 L851 L855 T918 M919 V920 C924 W926F844-F922 HydrophobicContact CE1-CD2 4.41Å; L851-F922 HydrophobicContact CD2-CB 4.47Å; L851-F922 HydrophobicContact CD2-CD1 4.07Å; L851-F922 HydrophobicContact CD2-CG 4.24Å; L855-F922 HydrophobicContact CD1-CE1 3.53Å; L855-F922 HydrophobicContact CD1-CZ 3.48Å; L855-F922 VanDerWaalsContact CD1-CZ 3.48Å; L855-F922 HydrophobicContact CD2-CE1 3.29Å; L855-F922 HydrophobicContact CD2-CZ 3.59Å; L855-F922 HydrophobicContact CG-CE1 3.43Å; L855-F922 VanDerWaalsContact CG-CE1 3.43Å; L855-F922 HydrophobicContact CG-CZ 3.85Å; T918-F922 WeakPolarHBondContact O-CB 3.19Å; M919-F922 WeakPolarHBondContact O-CB 3.48Å; M919-F922 PolarHBondContact O-N 3.5Å; V920-F922 PolarHBondContact O-N 3.11Å; F922-C924 VanDerWaalsContact C-N 3.33Å; F922-C924 PolarHBondContact O-N 2.74Å; F922-W926 VanDerWaalsContact O-CB 3.28Å; F922-W926 WeakPolarHBondContact O-CB 3.4Å; F922-W926 PolarHBondContact O-N 3.13Å
923L71Confident72.1Confident26 Ų2650.2 Ų50.214%0.13628%0.282CS..Hα-helixtrans-62-39.8172-70.8172.9000111.8F858 L878 I881 M919 V920 S927F858-L923 HydrophobicContact CD2-CD2 4.33Å; F858-L923 HydrophobicContact CE2-CD2 3.69Å; F858-L923 HydrophobicContact CZ-CD2 4.32Å; L878-L923 HydrophobicContact CD2-CD1 4.47Å; I881-L923 HydrophobicContact CD1-CD1 3.84Å; M919-L923 WeakPolarHBondContact O-CB 3.25Å; M919-L923 VanDerWaalsContact O-CG 3.28Å; M919-L923 WeakPolarHBondContact O-CG 3.2Å; M919-L923 PolarHBondContact O-N 2.99Å; V920-L923 PolarHBondContact O-N 3.43Å; L923-S927 VanDerWaalsContact O-CB 3.31Å; L923-S927 WeakPolarHBondContact O-CB 3.38Å; L923-S927 PolarHBondContact O-N 3.07Å; L923-S927 PolarHBondContact O-OG 3.46Å
924C69Low71Confident26 Ų2652.7 Ų52.718%0.17630%0.295CS..Hα-helixtrans-65.3-53.3177.5-72.60000111.9V920 P921 F922 W926 S927 V928V920-C924 WeakPolarHBondContact O-CB 2.92Å; V920-C924 PolarHBondContact O-N 3.46Å; V920-C924 PolarHBondContact O-SG 3.23Å; P921-C924 PolarHBondContact O-N 3.36Å; F922-C924 VanDerWaalsContact C-N 3.33Å; F922-C924 PolarHBondContact O-N 2.74Å; C924-W926 PolarHBondContact O-N 3.02Å; C924-S927 PolarHBondContact O-N 3.15Å; C924-S927 VanDerWaalsContact O-N 3.13Å; C924-S927 PolarHBondContact O-OG 3.02Å; C924-V928 WeakPolarHBondContact O-CG2 3.36Å; C924-V928 PolarHBondContact O-N 2.72Å; C924-V928 VanDerWaalsContact O-N 3.09Å
925I65.2Low69.9Low99 Ų9953.1 Ų53.151%0.50830%0.296SS..Hα-helixtrans-54.1-46.9176.4-72.3166000109.6P921 S927 V928 I929P921-I925 WeakPolarHBondContact O-CB 3.47Å; P921-I925 WeakPolarHBondContact O-CG1 3.12Å; P921-I925 PolarHBondContact O-N 3.45Å; I925-S927 PolarHBondContact O-N 3.25Å; I925-V928 PolarHBondContact O-N 3.42Å; I925-I929 HydrophobicContact CG2-CD1 3.46Å; I925-I929 VanDerWaalsContact CG2-CD1 3.46Å; I925-I929 HydrophobicContact CG2-CG1 4.29Å; I925-I929 VanDerWaalsContact O-CG1 3.32Å; I925-I929 WeakPolarHBondContact O-CG1 3.4Å; I925-I929 PolarHBondContact O-N 3.29Å
926W58.5Low68.5Low70 Ų7056.1 Ų56.127%0.26531%0.313SS..Hα-helixtrans-62.9-45.2179.5-163.7-96.2000112L855 C859 L863 F922 C924 V928 I929 T930L855-W926 HydrophobicContact CD2-CD2 4.14Å; L855-W926 HydrophobicContact CD2-CE3 4.16Å; L855-W926 HydrophobicContact CD2-CZ3 4.38Å; C859-W926 VanDerWaalsContact SG-CZ2 3.5Å; L863-W926 HydrophobicContact CD1-CZ2 4.01Å; F922-W926 VanDerWaalsContact O-CB 3.28Å; F922-W926 WeakPolarHBondContact O-CB 3.4Å; F922-W926 PolarHBondContact O-N 3.13Å; C924-W926 PolarHBondContact O-N 3.02Å; W926-V928 PolarHBondContact O-N 2.92Å; W926-I929 PolarHBondContact O-N 3.26Å; W926-T930 HydrophobicContact CD2-CG2 4.35Å; W926-T930 HydrophobicContact CZ2-CG2 4Å; W926-T930 PolarHBondContact O-N 3.41Å; W926-T930 VanDerWaalsContact O-N 3.12Å; W926-T930 PolarHBondContact O-OG1 3.35Å
927S58.7Low66.9Low35 Ų3559.7 Ų59.725%0.24533%0.334CS..Hα-helixtrans-62-23178.373.10000114.2L923 C924 I925 P931L923-S927 VanDerWaalsContact O-CB 3.31Å; L923-S927 WeakPolarHBondContact O-CB 3.38Å; L923-S927 PolarHBondContact O-N 3.07Å; L923-S927 PolarHBondContact O-OG 3.46Å; C924-S927 PolarHBondContact O-N 3.15Å; C924-S927 VanDerWaalsContact O-N 3.13Å; C924-S927 PolarHBondContact O-OG 3.02Å; I925-S927 PolarHBondContact O-N 3.25Å; S927-P931 WeakPolarHBondContact O-CD 3.36Å; S927-P931 VanDerWaalsContact O-CG 3.23Å; S927-P931 WeakPolarHBondContact O-CG 3.45Å
928V53.9Low65.3Low92 Ų9256.6 Ų56.656%0.55832%0.319SS*.Hα-helixtrans-87.9-40.2176.2174.30000111.7C924 I925 W926C924-V928 WeakPolarHBondContact O-CG2 3.36Å; C924-V928 PolarHBondContact O-N 2.72Å; C924-V928 VanDerWaalsContact O-N 3.09Å; I925-V928 PolarHBondContact O-N 3.42Å; W926-V928 PolarHBondContact O-N 2.92Å
929I45.9Very low63.6Low117 Ų11759.5 Ų59.560%0.633%0.334SS*.Hα-helixtrans-73-27.9-176.7-69.4174.5000112.6I925 W926I925-I929 HydrophobicContact CG2-CD1 3.46Å; I925-I929 VanDerWaalsContact CG2-CD1 3.46Å; I925-I929 HydrophobicContact CG2-CG1 4.29Å; I925-I929 VanDerWaalsContact O-CG1 3.32Å; I925-I929 WeakPolarHBondContact O-CG1 3.4Å; I925-I929 PolarHBondContact O-N 3.29Å; W926-I929 PolarHBondContact O-N 3.26Å
930T45.8Very low61.8Low45 Ų4564.3 Ų64.328%0.27636%0.361SS..  trans-88.9-34.1-168.134.30000119.1L863 W926L863-T930 HydrophobicContact CD1-CG2 3.37Å; L863-T930 HydrophobicContact CD2-CG2 3.48Å; L863-T930 VanDerWaalsContact CD2-CG2 3.48Å; L863-T930 HydrophobicContact CG-CG2 4.03Å; W926-T930 HydrophobicContact CD2-CG2 4.35Å; W926-T930 HydrophobicContact CZ2-CG2 4Å; W926-T930 PolarHBondContact O-N 3.41Å; W926-T930 VanDerWaalsContact O-N 3.12Å; W926-T930 PolarHBondContact O-OG1 3.35Å
931P41.4Very low60Low133 Ų13369.4 Ų69.486%0.86439%0.39SS*.  trans-59.40169.4-20.932.7000111.9S927S927-P931 WeakPolarHBondContact O-CD 3.36Å; S927-P931 VanDerWaalsContact O-CG 3.23Å; S927-P931 WeakPolarHBondContact O-CG 3.45Å

Retrieved 931 of 931 residues in 654.6 ms (Link to these results)

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