A0A077Z4R1_TRITR Loading...

DUF7802 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z4R1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 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
1M69.5Low78.7Confident119 Ų11997.9 Ų97.959%0.58655%0.551SS**  0-47.30-85.8-64.9176.200111.9Y3 V4 I5 A24 V28M1-Y3 VanDerWaalsContact C-N 3.28Å; M1-Y3 PolarHBondContact O-N 3.16Å; M1-V4 PolarHBondContact O-N 3.5Å; M1-I5 PolarHBondContact O-N 3.09Å; M1-A24 HydrophobicContact CE-CB 3.6Å; M1-A24 HydrophobicContact CG-CB 3.89Å; M1-A24 HydrophobicContact SD-CB 3.51Å; M1-A24 VanDerWaalsContact SD-CB 3.51Å; M1-V28 HydrophobicContact CE-CG2 4.38Å
2D73.2Confident79.2Confident87 Ų8793.7 Ų93.747%0.46553%0.525SS..Hα-helixtrans-51-48.1175.6-71.4-26000112.6V4 I5 D6 K21D2-V4 VanDerWaalsContact C-N 3.26Å; D2-V4 PolarHBondContact O-N 3.05Å; D2-I5 PolarHBondContact O-N 3.23Å; D2-D6 WeakPolarHBondContact O-CB 3.45Å; D2-D6 PolarHBondContact O-N 3.26Å; D2-K21 WeakPolarHBondContact OD1-CE 3.12Å; D2-K21 IonicContact OD1-NZ 2.68Å; D2-K21 PolarHBondContact OD1-NZ 3.21Å; D2-K21 IonicContact OD2-NZ 2.81Å
3Y78.4Confident80Confident174 Ų17490.8 Ų90.868%0.68252%0.515SS*.Hα-helixtrans-53.5-37.9174-176.9-95.3000114.2M1 Q7M1-Y3 VanDerWaalsContact C-N 3.28Å; M1-Y3 PolarHBondContact O-N 3.16Å; Y3-Q7 HydrophobicContact CE1-CG 4.34Å; Y3-Q7 WeakPolarHBondContact O-CG 3.44Å
4V80.2Confident80.5Confident89 Ų8991.8 Ų91.854%0.53952%0.523SS..Hα-helixtrans-76.5-40.5-178.5179.20000110.9M1 D2 D6 Q7M1-V4 PolarHBondContact O-N 3.5Å; D2-V4 VanDerWaalsContact C-N 3.26Å; D2-V4 PolarHBondContact O-N 3.05Å; V4-D6 VanDerWaalsContact C-N 3.34Å; V4-Q7 PolarHBondContact O-N 2.89Å
5I76.9Confident81.1Confident9 Ų996.1 Ų96.15%0.04654%0.537CS..Hα-helixtrans-68.2-36.9179.8-65.6175.5000110.7M1 D2 Q7 I8 M12 R17 L20 K21M1-I5 PolarHBondContact O-N 3.09Å; D2-I5 PolarHBondContact O-N 3.23Å; I5-Q7 PolarHBondContact O-N 3.37Å; I5-I8 PolarHBondContact O-N 3.4Å; I5-M12 HydrophobicContact CG2-CE 3.79Å; I5-R17 HydrophobicContact CG2-CG 4.11Å; I5-L20 HydrophobicContact CD1-CB 4.33Å; I5-K21 HydrophobicContact CD1-CB 4.48Å; I5-K21 HydrophobicContact CD1-CG 3.51Å
6D79.3Confident81.6Confident91 Ų9194.6 Ų94.649%0.48753%0.531SS..THydrogen-bonded Turntrans-71.5-13.2178-69.3-32.4000113.3D2 V4 R17D2-D6 WeakPolarHBondContact O-CB 3.45Å; D2-D6 PolarHBondContact O-N 3.26Å; V4-D6 VanDerWaalsContact C-N 3.34Å; D6-R17 IonicContact OD1-CZ 3.5Å; D6-R17 IonicContact OD1-NH1 2.6Å; D6-R17 PolarHBondContact OD1-NH1 3.36Å; D6-R17 IonicContact OD1-NH2 2.81Å; D6-R17 PolarHBondContact OD1-NH2 3.17Å
7Q84.2Confident81.9Confident121 Ų12194.4 Ų94.457%0.56552%0.52SS*.THydrogen-bonded Turntrans-88.7-4.9175.2-65.7-76.4-18.700113.3Y3 V4 I5 P9Y3-Q7 HydrophobicContact CE1-CG 4.34Å; Y3-Q7 WeakPolarHBondContact O-CG 3.44Å; V4-Q7 PolarHBondContact O-N 2.89Å; I5-Q7 PolarHBondContact O-N 3.37Å; Q7-P9 WeakPolarHBondContact O-CD 3.23Å
8I80.6Confident82.3Confident73 Ų7397.3 Ų97.337%0.37453%0.527SS..  trans-77.9116.6177.1-60175.2000108.1I5 V10 M12I5-I8 PolarHBondContact O-N 3.4Å; I8-V10 HydrophobicContact CG2-CB 4.18Å; I8-V10 HydrophobicContact CG2-CG2 4.29Å; I8-V10 PolarHBondContact O-N 2.95Å; I8-M12 HydrophobicContact CB-CE 3.95Å; I8-M12 HydrophobicContact CD1-CE 4.07Å; I8-M12 HydrophobicContact CD1-SD 4.45Å; I8-M12 HydrophobicContact CG2-CE 4.2Å
9P78.8Confident82.8Confident133 Ų13393.9 Ų93.986%0.86452%0.516SS*.  trans-74.620.6-172.731.6-36.8000114.2Q7Q7-P9 WeakPolarHBondContact O-CD 3.23Å
10V83.2Confident83.1Confident97 Ų9792.6 Ų92.659%0.58851%0.508SS*.SBendtrans-114.5128.3-176.9-175.90000108.9I8 M12I8-V10 HydrophobicContact CG2-CB 4.18Å; I8-V10 HydrophobicContact CG2-CG2 4.29Å; I8-V10 PolarHBondContact O-N 2.95Å; V10-M12 PolarHBondContact O-N 3.07Å
11G81.9Confident83.4Confident84 Ų8491.9 Ų91.987%0.86650%0.5SS*.  trans-61107.3171.200000110.4
12M83.7Confident84.4Confident47 Ų4792.8 Ų92.823%0.23250%0.501CS..  trans-98.3138.2177.8-70.1177.9-77.200110.3I5 I8 V10 T16 L20I5-M12 HydrophobicContact CG2-CE 3.79Å; I8-M12 HydrophobicContact CB-CE 3.95Å; I8-M12 HydrophobicContact CD1-CE 4.07Å; I8-M12 HydrophobicContact CD1-SD 4.45Å; I8-M12 HydrophobicContact CG2-CE 4.2Å; V10-M12 PolarHBondContact O-N 3.07Å; M12-T16 HydrophobicContact CB-CG2 4.38Å; M12-T16 HydrophobicContact CG-CG2 4.32Å; M12-T16 HydrophobicContact SD-CG2 4.39Å; M12-L20 HydrophobicContact SD-CD1 3.41Å; M12-L20 WeakPolarHBondContact SD-CD1 3.33Å
13S89.5Confident85.3Confident57 Ų5793 Ų9340%0.39950%0.501SS..  trans-59.6153.5168.774.80000110.5E15 T16 R17S13-E15 PolarHBondContact O-N 3.48Å; S13-T16 PolarHBondContact O-N 3.2Å; S13-T16 VanDerWaalsContact O-N 3.13Å; S13-T16 PolarHBondContact OG-N 3.12Å; S13-T16 PolarHBondContact OG-OG1 2.96Å; S13-R17 PolarHBondContact O-N 2.87Å
14V87.6Confident85.8Confident104 Ų10485.2 Ų85.263%0.6347%0.472SS*.Hα-helixtrans-57.2-34.9178.71770000111.2K18V14-K18 HydrophobicContact CG1-CD 4.48Å; V14-K18 WeakPolarHBondContact O-CG 2.91Å; V14-K18 PolarHBondContact O-N 3.47Å
15E90Very high86.2Confident157 Ų15789 Ų8973%0.73448%0.479SS*.Hα-helixtrans-66.7-47176.7-67.3145.5175.500111.7S13 R17 K18 G19S13-E15 PolarHBondContact O-N 3.48Å; E15-R17 VanDerWaalsContact C-N 3.32Å; E15-R17 PolarHBondContact O-N 3.16Å; E15-K18 PolarHBondContact O-N 3.21Å; E15-G19 PolarHBondContact O-N 3.36Å
16T89.2Confident87Confident72 Ų7293.2 Ų93.244%0.44250%0.498SS..Hα-helixtrans-61.1-42.2176.1-59.60000111.1M12 S13 K18 G19 L20M12-T16 HydrophobicContact CB-CG2 4.38Å; M12-T16 HydrophobicContact CG-CG2 4.32Å; M12-T16 HydrophobicContact SD-CG2 4.39Å; S13-T16 PolarHBondContact O-N 3.2Å; S13-T16 VanDerWaalsContact O-N 3.13Å; S13-T16 PolarHBondContact OG-N 3.12Å; S13-T16 PolarHBondContact OG-OG1 2.96Å; T16-K18 PolarHBondContact O-N 3.48Å; T16-G19 PolarHBondContact O-N 3.02Å; T16-L20 HydrophobicContact CG2-CD1 4.34Å; T16-L20 PolarHBondContact O-N 3.2Å
17R86.6Confident87.6Confident91 Ų9194.1 Ų94.134%0.34350%0.502SS..Hα-helixtrans-60.6-44.6175.2-176-178.4-84.5-126.8-9.6111.7I5 D6 S13 E15 K21I5-R17 HydrophobicContact CG2-CG 4.11Å; D6-R17 IonicContact OD1-CZ 3.5Å; D6-R17 IonicContact OD1-NH1 2.6Å; D6-R17 PolarHBondContact OD1-NH1 3.36Å; D6-R17 IonicContact OD1-NH2 2.81Å; D6-R17 PolarHBondContact OD1-NH2 3.17Å; S13-R17 PolarHBondContact O-N 2.87Å; E15-R17 VanDerWaalsContact C-N 3.32Å; E15-R17 PolarHBondContact O-N 3.16Å; R17-K21 WeakPolarHBondContact O-CG 3.27Å; R17-K21 PolarHBondContact O-N 3.19Å
18K88.6Confident87.8Confident147 Ų14792.1 Ų92.164%0.63950%0.498SS*.Hα-helixtrans-63.7-40.3174.5-75.7177.9-179.4178.50111.8V14 E15 T16 K21 K22V14-K18 HydrophobicContact CG1-CD 4.48Å; V14-K18 WeakPolarHBondContact O-CG 2.91Å; V14-K18 PolarHBondContact O-N 3.47Å; E15-K18 PolarHBondContact O-N 3.21Å; T16-K18 PolarHBondContact O-N 3.48Å; K18-K21 PolarHBondContact O-N 2.85Å; K18-K22 PolarHBondContact O-N 3.4Å
19G91.3Very high88.2Confident32 Ų3291.8 Ų91.833%0.3350%0.5SS..Hα-helixtrans-60.1-49.717600000112.5E15 T16 K21 K22 I23E15-G19 PolarHBondContact O-N 3.36Å; T16-G19 PolarHBondContact O-N 3.02Å; G19-K21 PolarHBondContact O-N 3.4Å; G19-K22 WeakPolarHBondContact O-CB 3.48Å; G19-K22 PolarHBondContact O-N 2.98Å; G19-I23 WeakPolarHBondContact O-CG1 3.47Å; G19-I23 PolarHBondContact O-N 3.02Å
20L89.2Confident88.9Confident67 Ų6790.5 Ų90.535%0.35148%0.484SS..Hα-helixtrans-61.7-43.2176.5-74.7170.3000112.3I5 M12 T16 K22 I23 A24I5-L20 HydrophobicContact CD1-CB 4.33Å; M12-L20 HydrophobicContact SD-CD1 3.41Å; M12-L20 WeakPolarHBondContact SD-CD1 3.33Å; T16-L20 HydrophobicContact CG2-CD1 4.34Å; T16-L20 PolarHBondContact O-N 3.2Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.21Å; L20-I23 PolarHBondContact O-N 3.26Å; L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.43Å; L20-A24 PolarHBondContact O-N 2.98Å
21K88.8Confident89.3Confident78 Ų7888.6 Ų88.634%0.33948%0.478SS..Hα-helixtrans-57.8-42.3174.5-76.2-176.8178.7-155.90112D2 I5 R17 K18 G19 Y25D2-K21 WeakPolarHBondContact OD1-CE 3.12Å; D2-K21 IonicContact OD1-NZ 2.68Å; D2-K21 PolarHBondContact OD1-NZ 3.21Å; D2-K21 IonicContact OD2-NZ 2.81Å; I5-K21 HydrophobicContact CD1-CB 4.48Å; I5-K21 HydrophobicContact CD1-CG 3.51Å; R17-K21 WeakPolarHBondContact O-CG 3.27Å; R17-K21 PolarHBondContact O-N 3.19Å; K18-K21 PolarHBondContact O-N 2.85Å; G19-K21 PolarHBondContact O-N 3.4Å; K21-Y25 WeakPolarHBondContact O-CB 3.31Å; K21-Y25 PolarHBondContact O-N 2.99Å
22K91Very high89.7Confident138 Ų13888.3 Ų88.360%0.646%0.457SS*.Hα-helixtrans-64.1-46.7177.8-173.2-177.3-177.1-175.60111.8K18 G19 L20 Y25 Q26K18-K22 PolarHBondContact O-N 3.4Å; G19-K22 WeakPolarHBondContact O-CB 3.48Å; G19-K22 PolarHBondContact O-N 2.98Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.21Å; K22-Y25 PolarHBondContact O-N 3.45Å; K22-Q26 VanDerWaalsContact O-CG 3.32Å; K22-Q26 WeakPolarHBondContact O-CG 3.48Å; K22-Q26 PolarHBondContact O-N 3.29Å
23I91.3Very high90.1Very high92 Ų9291.8 Ų91.847%0.47247%0.468SS..Hα-helixtrans-61.4-47.4177.4-67.1167.2000110.3G19 L20 Y25 Q26 L27G19-I23 WeakPolarHBondContact O-CG1 3.47Å; G19-I23 PolarHBondContact O-N 3.02Å; L20-I23 PolarHBondContact O-N 3.26Å; I23-Y25 PolarHBondContact O-N 3.44Å; I23-Q26 WeakPolarHBondContact O-CB 3.12Å; I23-Q26 PolarHBondContact O-N 3.27Å; I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.41Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 2.94Å
24A89Confident90.3Very high10 Ų1090.9 Ų90.98%0.08346%0.464CS..Hα-helixtrans-57.9-47.2177.100000112.5M1 L20 Q26 L27 V28M1-A24 HydrophobicContact CE-CB 3.6Å; M1-A24 HydrophobicContact CG-CB 3.89Å; M1-A24 HydrophobicContact SD-CB 3.51Å; M1-A24 VanDerWaalsContact SD-CB 3.51Å; L20-A24 VanDerWaalsContact O-CB 3.27Å; L20-A24 WeakPolarHBondContact O-CB 3.43Å; L20-A24 PolarHBondContact O-N 2.98Å; A24-Q26 VanDerWaalsContact C-N 3.33Å; A24-Q26 PolarHBondContact O-N 3.38Å; A24-L27 PolarHBondContact O-N 3.08Å; A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 2.77Å
25Y89.9Confident90.6Very high170 Ų17088.1 Ų88.167%0.66745%0.449SS*.Hα-helixtrans-60.4-42.6176.1179.2-93.4000111.7K21 K22 I23 V28 T29K21-Y25 WeakPolarHBondContact O-CB 3.31Å; K21-Y25 PolarHBondContact O-N 2.99Å; K22-Y25 PolarHBondContact O-N 3.45Å; I23-Y25 PolarHBondContact O-N 3.44Å; Y25-V28 PolarHBondContact O-N 2.79Å; Y25-T29 WeakPolarHBondContact CE1-OG1 3.38Å; Y25-T29 WeakPolarHBondContact O-CB 3.3Å; Y25-T29 PolarHBondContact O-N 3.47Å; Y25-T29 PolarHBondContact O-OG1 2.82Å
26Q92.4Very high90.7Very high97 Ų9780.9 Ų80.945%0.45342%0.416SS..Hα-helixtrans-62.1-44.2175.3-74.4176-31.100111.8K22 I23 A24 T29 I30K22-Q26 VanDerWaalsContact O-CG 3.32Å; K22-Q26 WeakPolarHBondContact O-CG 3.48Å; K22-Q26 PolarHBondContact O-N 3.29Å; I23-Q26 WeakPolarHBondContact O-CB 3.12Å; I23-Q26 PolarHBondContact O-N 3.27Å; A24-Q26 VanDerWaalsContact C-N 3.33Å; A24-Q26 PolarHBondContact O-N 3.38Å; Q26-T29 PolarHBondContact O-N 2.83Å; Q26-I30 WeakPolarHBondContact O-CB 3.47Å; Q26-I30 WeakPolarHBondContact O-CD1 3.29Å; Q26-I30 WeakPolarHBondContact O-CG1 3.21Å; Q26-I30 PolarHBondContact O-N 3.07Å
27L92.2Very high90.8Very high109 Ų10981.1 Ų81.157%0.57143%0.425SS*.Hα-helixtrans-61.9-44.4176.8-73.2173.5000112I23 A24 T29 I30 A31I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.41Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 2.94Å; A24-L27 PolarHBondContact O-N 3.08Å; L27-T29 VanDerWaalsContact C-N 3.34Å; L27-I30 PolarHBondContact O-N 3.04Å; L27-A31 VanDerWaalsContact O-CB 3.3Å; L27-A31 WeakPolarHBondContact O-CB 3.29Å; L27-A31 PolarHBondContact O-N 3.47Å
28V89.3Confident90.9Very high80 Ų8078.8 Ų78.849%0.48542%0.418SS..Hα-helixtrans-63.6-41.8176.1172.90000110.9M1 A24 Y25 A31 D32M1-V28 HydrophobicContact CE-CG2 4.38Å; A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 2.77Å; Y25-V28 PolarHBondContact O-N 2.79Å; V28-A31 PolarHBondContact O-N 2.98Å; V28-D32 WeakPolarHBondContact O-CB 3.49Å; V28-D32 PolarHBondContact O-N 2.92Å
29T89.7Confident91Very high66 Ų6675.7 Ų75.741%0.40541%0.409SS..Hα-helixtrans-63.4-42.6177.2-55.20000111.3Y25 Q26 L27 A31 W33Y25-T29 WeakPolarHBondContact CE1-OG1 3.38Å; Y25-T29 WeakPolarHBondContact O-CB 3.3Å; Y25-T29 PolarHBondContact O-N 3.47Å; Y25-T29 PolarHBondContact O-OG1 2.82Å; Q26-T29 PolarHBondContact O-N 2.83Å; L27-T29 VanDerWaalsContact C-N 3.34Å; T29-A31 VanDerWaalsContact C-N 3.35Å; T29-W33 VanDerWaalsContact O-CB 3.23Å; T29-W33 WeakPolarHBondContact O-CB 3.41Å; T29-W33 PolarHBondContact O-N 3.34Å
30I93.1Very high91.1Very high105 Ų10580 Ų8054%0.53842%0.416SS..Hα-helixtrans-65.8-39.7175.8-68.9164000110.5Q26 L27 A34Q26-I30 WeakPolarHBondContact O-CB 3.47Å; Q26-I30 WeakPolarHBondContact O-CD1 3.29Å; Q26-I30 WeakPolarHBondContact O-CG1 3.21Å; Q26-I30 PolarHBondContact O-N 3.07Å; L27-I30 PolarHBondContact O-N 3.04Å; I30-A34 VanDerWaalsContact O-CB 3.23Å; I30-A34 WeakPolarHBondContact O-CB 3.33Å; I30-A34 PolarHBondContact O-N 3.41Å
31A91.8Very high91.3Very high57 Ų5784.9 Ų84.947%0.47143%0.43SS..Hα-helixtrans-67.6-46.2178.900000112.3L27 V28 T29 W33 A34 C35L27-A31 VanDerWaalsContact O-CB 3.3Å; L27-A31 WeakPolarHBondContact O-CB 3.29Å; L27-A31 PolarHBondContact O-N 3.47Å; V28-A31 PolarHBondContact O-N 2.98Å; T29-A31 VanDerWaalsContact C-N 3.35Å; A31-W33 VanDerWaalsContact C-N 3.31Å; A31-W33 PolarHBondContact O-N 2.86Å; A31-A34 PolarHBondContact O-N 3.3Å; A31-A34 VanDerWaalsContact O-N 3.12Å; A31-C35 PolarHBondContact O-N 2.78Å
32D89.1Confident91.4Very high79 Ų7984.8 Ų84.842%0.42243%0.43SS..Hα-helixtrans-65.9-35.3175.8-178.764.7000111.4V28 R115V28-D32 WeakPolarHBondContact O-CB 3.49Å; V28-D32 PolarHBondContact O-N 2.92Å; D32-R115 IonicContact OD1-CZ 3.27Å; D32-R115 IonicContact OD1-NE 3.39Å; D32-R115 IonicContact OD1-NH2 3.07Å; D32-R115 PolarHBondContact OD1-NH2 3.38Å
33W92.2Very high91.5Very high119 Ų11978.8 Ų78.845%0.45141%0.405SS..Hα-helixtrans-66.2-41.3169.1178.985.7000111.9T29 A31 Y95 F113 G114T29-W33 VanDerWaalsContact O-CB 3.23Å; T29-W33 WeakPolarHBondContact O-CB 3.41Å; T29-W33 PolarHBondContact O-N 3.34Å; A31-W33 VanDerWaalsContact C-N 3.31Å; A31-W33 PolarHBondContact O-N 2.86Å; W33-Y95 HydrophobicContact CZ2-CE2 4.48Å; W33-F113 AromaticContact CH2-CD1 3.66Å; W33-F113 HydrophobicContact CH2-CD1 3.66Å; W33-F113 HydrophobicContact CH2-CE1 4.29Å; W33-F113 HydrophobicContact CZ2-CB 4.38Å; W33-F113 AromaticContact CZ2-CD1 3.97Å; W33-F113 HydrophobicContact CZ2-CD1 3.97Å; W33-F113 HydrophobicContact CZ3-CD1 4.16Å; W33-F113 CarbonylContact O-C 3.37Å; W33-F113 WeakPolarHBondContact O-CA 3.41Å; W33-F113 PolarHBondContact O-N 3.33Å; W33-G114 PolarHBondContact O-N 3.49Å
34A93.9Very high91.6Very high38 Ų3879 Ų7931%0.31441%0.406SS..Hα-helixtrans-66.4-48-178.500000111.2I30 A31 F112 F113I30-A34 VanDerWaalsContact O-CB 3.23Å; I30-A34 WeakPolarHBondContact O-CB 3.33Å; I30-A34 PolarHBondContact O-N 3.41Å; A31-A34 PolarHBondContact O-N 3.3Å; A31-A34 VanDerWaalsContact O-N 3.12Å; A34-F112 VanDerWaalsContact O-CA 3.28Å; A34-F112 WeakPolarHBondContact O-CA 3.3Å; A34-F112 WeakPolarHBondContact O-CB 3.32Å; A34-F112 WeakPolarHBondContact O-CD1 3.31Å; A34-F113 PolarHBondContact O-N 2.99Å
35C94.8Very high91.8Very high47 Ų4782.3 Ų82.332%0.31843%0.429SS..EExtended strand (participates in β ladder)trans-149.9114.2-177.2-172.80000111.3A31 F112A31-C35 PolarHBondContact O-N 2.78Å; C35-F112 HydrophobicContact CB-CD1 4.23Å; C35-F112 HydrophobicContact CB-CE1 4.05Å
36G91.2Very high91.8Very high4 Ų476.2 Ų76.24%0.04141%0.408CS..EExtended strand (participates in β ladder)trans-94131.7168.500000110.9T111G36-T111 PolarHBondContact N-O 2.93Å; G36-T111 PolarHBondContact O-N 2.89Å
37A91.5Very high91.8Very high77 Ų7771.9 Ų71.964%0.63639%0.388SS*.EExtended strand (participates in β ladder)trans-97.9138.9171.600000110.6L109 L110A37-L109 VanDerWaalsContact CA-O 3.31Å; A37-L109 WeakPolarHBondContact CA-O 3.47Å; A37-L110 HydrophobicContact CB-CD2 4.35Å
38H88.7Confident91.9Very high42 Ų4271.5 Ų71.519%0.19438%0.379CS..  trans-112.7150.1174.7-166.254.7000110.6Y40 Q42 T108 L109H38-Y40 PolarHBondContact O-N 3.32Å; H38-Q42 PolarHBondContact CE1-OE1 3.26Å; H38-Q42 VanDerWaalsContact CE1-OE1 3.28Å; H38-T108 WeakPolarHBondContact CB-O 3.34Å; H38-L109 PolarHBondContact N-O 3.3Å
39D91.5Very high92.2Very high82 Ų8267.7 Ų67.744%0.43936%0.356SS..  trans-66.2123.9176.8-171.5-13.7000109.5R41 Q42 L43D39-R41 PolarHBondContact O-N 2.71Å; D39-R41 WeakPolarHBondContact OD1-CB 3.31Å; D39-R41 PolarHBondContact OD1-N 2.92Å; D39-Q42 HydrophobicContact CB-CB 4.19Å; D39-Q42 PolarHBondContact O-N 3.27Å; D39-L43 PolarHBondContact O-N 3.47Å
40Y92.6Very high92.5Very high123 Ų12364.6 Ų64.648%0.48234%0.337SS..Hα-helixtrans-63.6-29.1178.675.2-88.1000112H38 L43 L44H38-Y40 PolarHBondContact O-N 3.32Å; Y40-L43 PolarHBondContact O-N 3.35Å; Y40-L44 HydrophobicContact CD2-CD1 4.07Å; Y40-L44 WeakPolarHBondContact O-CB 3.49Å; Y40-L44 VanDerWaalsContact O-CG 3.22Å; Y40-L44 WeakPolarHBondContact O-CG 3.32Å; Y40-L44 PolarHBondContact O-N 2.96Å
41R94.4Very high92.6Very high170 Ų17060.6 Ų60.664%0.64232%0.319SS*.Hα-helixtrans-67.7-45.1178.9-64.3179.2177.2176.3-1.4110.8D39 L44 S45D39-R41 PolarHBondContact O-N 2.71Å; D39-R41 WeakPolarHBondContact OD1-CB 3.31Å; D39-R41 PolarHBondContact OD1-N 2.92Å; R41-L44 PolarHBondContact O-N 3.06Å; R41-S45 PolarHBondContact O-N 3.4Å; R41-S45 PolarHBondContact O-OG 2.85Å
42Q90.8Very high92.7Very high75 Ų7562 Ų6235%0.3531%0.314SS..Hα-helixtrans-65.8-41.6175.5-173.2173.69.300111.2H38 D39 L44 S45 D46H38-Q42 PolarHBondContact CE1-OE1 3.26Å; H38-Q42 VanDerWaalsContact CE1-OE1 3.28Å; D39-Q42 HydrophobicContact CB-CB 4.19Å; D39-Q42 PolarHBondContact O-N 3.27Å; Q42-L44 VanDerWaalsContact C-N 3.29Å; Q42-L44 PolarHBondContact O-N 3.47Å; Q42-S45 WeakPolarHBondContact CA-OG 3.26Å; Q42-S45 PolarHBondContact O-N 3.45Å; Q42-S45 PolarHBondContact O-OG 3.08Å; Q42-D46 VanDerWaalsContact CG-OD2 3.29Å; Q42-D46 WeakPolarHBondContact CG-OD2 3.49Å; Q42-D46 PolarHBondContact NE2-OD2 3.46Å; Q42-D46 WeakPolarHBondContact O-CB 3.47Å; Q42-D46 PolarHBondContact O-N 3.29Å
43L92.7Very high93.1Very high13 Ų1358.2 Ų58.27%0.06829%0.294CS..Hα-helixtrans-59.2-41.8175.3-176.462.4000112D39 Y40 H47 W48 A51 Q107D39-L43 PolarHBondContact O-N 3.47Å; Y40-L43 PolarHBondContact O-N 3.35Å; L43-H47 HydrophobicContact CD1-CB 4.22Å; L43-H47 CarbonylContact O-C 3.42Å; L43-H47 WeakPolarHBondContact O-CA 3.34Å; L43-H47 PolarHBondContact O-N 3.28Å; L43-W48 PolarHBondContact O-N 3.25Å; L43-A51 HydrophobicContact CD2-CB 4.07Å; L43-A51 HydrophobicContact CG-CB 4.08Å; L43-Q107 VanDerWaalsContact CD1-O 3.28Å; L43-Q107 WeakPolarHBondContact CD1-O 3.48Å
44L93.6Very high93.3Very high96 Ų9653.5 Ų53.550%0.50328%0.281SS..Hα-helixtrans-75-25.9178.8-71173000113.3Y40 R41 Q42 W48 A51Y40-L44 HydrophobicContact CD2-CD1 4.07Å; Y40-L44 WeakPolarHBondContact O-CB 3.49Å; Y40-L44 VanDerWaalsContact O-CG 3.22Å; Y40-L44 WeakPolarHBondContact O-CG 3.32Å; Y40-L44 PolarHBondContact O-N 2.96Å; R41-L44 PolarHBondContact O-N 3.06Å; Q42-L44 VanDerWaalsContact C-N 3.29Å; Q42-L44 PolarHBondContact O-N 3.47Å; L44-W48 WeakPolarHBondContact O-CB 3.45Å; L44-A51 HydrophobicContact CD2-CB 3.84Å
45S92.3Very high93.4Very high79 Ų7954.5 Ų54.555%0.55229%0.289SS*.Hα-helixtrans-78.8-47.3174.860.90000112R41 Q42R41-S45 PolarHBondContact O-N 3.4Å; R41-S45 PolarHBondContact O-OG 2.85Å; Q42-S45 WeakPolarHBondContact CA-OG 3.26Å; Q42-S45 PolarHBondContact O-N 3.45Å; Q42-S45 PolarHBondContact O-OG 3.08Å
46D90.5Very high93.5Very high42 Ų4252.7 Ų52.723%0.22528%0.277CS..Hα-helixtrans-90.7-31.4-167.5-58.9-1.3000111.2Q42 I320Q42-D46 VanDerWaalsContact CG-OD2 3.29Å; Q42-D46 WeakPolarHBondContact CG-OD2 3.49Å; Q42-D46 PolarHBondContact NE2-OD2 3.46Å; Q42-D46 WeakPolarHBondContact O-CB 3.47Å; Q42-D46 PolarHBondContact O-N 3.29Å; D46-I320 HydrophobicContact CB-CB 4.42Å; D46-I320 PolarHBondContact O-N 2.97Å
47H92.3Very high93.8Very high7 Ų752.6 Ų52.63%0.03228%0.275CS..  trans-147.346.8-167-143.7-41.3000113.9L43 S49 L50 A51 L169 L170 W171 I319L43-H47 HydrophobicContact CD1-CB 4.22Å; L43-H47 CarbonylContact O-C 3.42Å; L43-H47 WeakPolarHBondContact O-CA 3.34Å; L43-H47 PolarHBondContact O-N 3.28Å; H47-S49 PolarHBondContact O-N 3.47Å; H47-S49 VanDerWaalsContact O-N 3.14Å; H47-L50 HydrophobicContact CB-CB 4.46Å; H47-L50 WeakPolarHBondContact ND1-CB 3.27Å; H47-L50 WeakPolarHBondContact O-CB 3.34Å; H47-L50 PolarHBondContact O-N 2.83Å; H47-L50 VanDerWaalsContact O-N 3.08Å; H47-A51 PolarHBondContact O-N 2.88Å; H47-L169 PolarHBondContact CE1-O 2.95Å; H47-L169 PolarHBondContact NE2-O 3.45Å; H47-L170 PolarHBondContact NE2-O 3.35Å; H47-W171 AromaticContact CE1-CD1 3.43Å; H47-W171 VanDerWaalsContact CE1-CD1 3.43Å; H47-W171 AromaticContact CE1-NE1 3.87Å; H47-I319 VanDerWaalsContact NE2-CG2 3.3Å; H47-I319 WeakPolarHBondContact NE2-CG2 3.44Å
48W93.5Very high94Very high101 Ų10153.6 Ų53.638%0.38327%0.269SS..Hα-helixtrans-57.9-31-176.771.1-94.3000113.7L43 L44 L50 A51 F52 A313 V314L43-W48 PolarHBondContact O-N 3.25Å; L44-W48 WeakPolarHBondContact O-CB 3.45Å; W48-L50 VanDerWaalsContact C-N 3.32Å; W48-L50 PolarHBondContact O-N 3.38Å; W48-A51 WeakPolarHBondContact O-CB 3.42Å; W48-A51 PolarHBondContact O-N 2.84Å; W48-F52 WeakPolarHBondContact O-CB 3.3Å; W48-F52 PolarHBondContact O-N 2.83Å; W48-A313 HydrophobicContact CH2-CB 4.42Å; W48-V314 HydrophobicContact CH2-CG2 3.24Å; W48-V314 HydrophobicContact CZ2-CB 4.18Å; W48-V314 HydrophobicContact CZ2-CG1 4.38Å; W48-V314 HydrophobicContact CZ2-CG2 3.19Å; W48-V314 HydrophobicContact CZ3-CG2 4.07Å
49S95.6Very high94.5Very high0 Ų055.7 Ų55.70%028%0.281CS..Hα-helixtrans-62.4-39.1178.173.70000112.1H47 C53 W171H47-S49 PolarHBondContact O-N 3.47Å; H47-S49 VanDerWaalsContact O-N 3.14Å; S49-C53 VanDerWaalsContact O-CB 3.25Å; S49-C53 WeakPolarHBondContact O-CB 3.31Å; S49-C53 PolarHBondContact O-N 2.91Å; S49-W171 PolarHBondContact OG-NE1 3.31Å; S49-W171 VanDerWaalsContact OG-NE1 3.1Å
50L95.8Very high94.8Very high1 Ų151.8 Ų51.81%0.00526%0.26CS..Hα-helixtrans-70.2-39.7176.2178.460.8000111.3H47 W48 C53 A54 Q107 T108 Y120 W171H47-L50 HydrophobicContact CB-CB 4.46Å; H47-L50 WeakPolarHBondContact ND1-CB 3.27Å; H47-L50 WeakPolarHBondContact O-CB 3.34Å; H47-L50 PolarHBondContact O-N 2.83Å; H47-L50 VanDerWaalsContact O-N 3.08Å; W48-L50 VanDerWaalsContact C-N 3.32Å; W48-L50 PolarHBondContact O-N 3.38Å; L50-C53 PolarHBondContact O-N 3.36Å; L50-A54 WeakPolarHBondContact O-CB 3.16Å; L50-A54 PolarHBondContact O-N 2.9Å; L50-Q107 WeakPolarHBondContact CD2-O 3.35Å; L50-T108 HydrophobicContact CD1-CG2 4.08Å; L50-T108 HydrophobicContact CD2-CG2 3.75Å; L50-T108 HydrophobicContact CG-CG2 3.78Å; L50-Y120 HydrophobicContact CD1-CE1 3.76Å; L50-W171 HydrophobicContact CB-CG 4.5Å; L50-W171 HydrophobicContact CD1-CB 3.9Å; L50-W171 HydrophobicContact CD1-CD2 4.42Å; L50-W171 HydrophobicContact CD1-CG 3.78Å
51A95.1Very high95Very high20 Ų2047.4 Ų47.417%0.16524%0.244CC..Hα-helixtrans-60.6-46.6174.400000111.6L43 L44 H47 W48 A54 A55L43-A51 HydrophobicContact CD2-CB 4.07Å; L43-A51 HydrophobicContact CG-CB 4.08Å; L44-A51 HydrophobicContact CD2-CB 3.84Å; H47-A51 PolarHBondContact O-N 2.88Å; W48-A51 WeakPolarHBondContact O-CB 3.42Å; W48-A51 PolarHBondContact O-N 2.84Å; A51-A54 PolarHBondContact O-N 3.34Å; A51-A55 PolarHBondContact O-N 2.64Å
52F95.8Very high95.1Very high86 Ų8641.5 Ų41.538%0.37723%0.229SC..Hα-helixtrans-65.7-39.4178.1-172.5-116.7000112.1W48 A55 T56 C306 I310W48-F52 WeakPolarHBondContact O-CB 3.3Å; W48-F52 PolarHBondContact O-N 2.83Å; F52-A55 PolarHBondContact O-N 3.35Å; F52-T56 WeakPolarHBondContact O-CB 3.48Å; F52-T56 PolarHBondContact O-N 2.84Å; F52-T56 PolarHBondContact O-OG1 3.4Å; F52-C306 HydrophobicContact CE1-CB 3.99Å; F52-C306 HydrophobicContact CZ-CB 4.44Å; F52-I310 HydrophobicContact CD1-CD1 3.78Å; F52-I310 HydrophobicContact CD1-CG1 3.71Å; F52-I310 HydrophobicContact CE1-CD1 4.47Å; F52-I310 HydrophobicContact CE1-CG1 4.21Å
53C96.4Very high95.4Very high1 Ų139.2 Ų39.21%0.00722%0.219CC..Hα-helixtrans-60-48.6172.1-176.10000111.6S49 L50 A55 T56 F57 W171 I310S49-C53 VanDerWaalsContact O-CB 3.25Å; S49-C53 WeakPolarHBondContact O-CB 3.31Å; S49-C53 PolarHBondContact O-N 2.91Å; L50-C53 PolarHBondContact O-N 3.36Å; C53-A55 PolarHBondContact O-N 3.21Å; C53-T56 WeakPolarHBondContact O-CB 3.25Å; C53-T56 PolarHBondContact O-N 3.27Å; C53-F57 VanDerWaalsContact O-CD2 3.31Å; C53-F57 WeakPolarHBondContact O-CD2 3.29Å; C53-F57 PolarHBondContact O-N 3.3Å; C53-F57 VanDerWaalsContact SG-CE2 3.59Å; C53-W171 HydrophobicContact CB-CH2 3.88Å; C53-W171 HydrophobicContact CB-CZ2 3.8Å; C53-W171 HydrophobicContact CB-CZ3 4.28Å; C53-W171 VanDerWaalsContact SG-CH2 3.56Å; C53-W171 WeakPolarHBondContact SG-CZ3 3.24Å; C53-I310 HydrophobicContact CB-CD1 4.32Å
54A96.2Very high95.6Very high20 Ų2038.6 Ų38.617%0.16522%0.215CC..Hα-helixtrans-60.1-43.6178.100000112.3L50 A51 F57 L58 Y120L50-A54 WeakPolarHBondContact O-CB 3.16Å; L50-A54 PolarHBondContact O-N 2.9Å; A51-A54 PolarHBondContact O-N 3.34Å; A54-F57 PolarHBondContact O-N 3.25Å; A54-L58 PolarHBondContact O-N 3.07Å; A54-Y120 HydrophobicContact CB-CD1 3.83Å; A54-Y120 HydrophobicContact CB-CG 3.86Å
55A96.2Very high95.8Very high58 Ų5836 Ų3648%0.47920%0.202SC..Hα-helixtrans-62.8-41.3175.600000112.2A51 F52 C53 F57 L58 L59A51-A55 PolarHBondContact O-N 2.64Å; F52-A55 PolarHBondContact O-N 3.35Å; C53-A55 PolarHBondContact O-N 3.21Å; A55-F57 PolarHBondContact O-N 3.43Å; A55-L58 PolarHBondContact O-N 3.08Å; A55-L59 PolarHBondContact O-N 2.86Å
56T97Very high96.1Very high10 Ų1036.7 Ų36.76%0.06120%0.198CC..Hα-helixtrans-59.4-46.7175.7-59.50000111.2F52 C53 L59 C60 I302 C306F52-T56 WeakPolarHBondContact O-CB 3.48Å; F52-T56 PolarHBondContact O-N 2.84Å; F52-T56 PolarHBondContact O-OG1 3.4Å; C53-T56 WeakPolarHBondContact O-CB 3.25Å; C53-T56 PolarHBondContact O-N 3.27Å; T56-L59 WeakPolarHBondContact O-CB 3.45Å; T56-L59 PolarHBondContact O-N 3.29Å; T56-C60 PolarHBondContact O-N 3.42Å; T56-C60 PolarHBondContact O-SG 3.34Å; T56-I302 HydrophobicContact CG2-CG2 4.05Å; T56-C306 HydrophobicContact CG2-CB 3.59Å; T56-C306 PolarHBondContact OG1-SG 2.97Å; T56-C306 VanDerWaalsContact OG1-SG 3.39Å
57F97.2Very high96.3Very high2 Ų234.7 Ų34.71%0.00919%0.188CC..Hα-helixtrans-69.8-31.6179.2-83.5-71.2000113.3C53 A54 A55 L59 C60 F61 Y120 C124 L125 T128 F129 Y162C53-F57 VanDerWaalsContact O-CD2 3.31Å; C53-F57 WeakPolarHBondContact O-CD2 3.29Å; C53-F57 PolarHBondContact O-N 3.3Å; C53-F57 VanDerWaalsContact SG-CE2 3.59Å; A54-F57 PolarHBondContact O-N 3.25Å; A55-F57 PolarHBondContact O-N 3.43Å; F57-L59 VanDerWaalsContact C-N 3.32Å; F57-C60 PolarHBondContact O-N 3.02Å; F57-F61 WeakPolarHBondContact O-CB 3.33Å; F57-F61 PolarHBondContact O-N 2.95Å; F57-Y120 HydrophobicContact CB-CD2 4.26Å; F57-Y120 HydrophobicContact CD2-CD2 4.07Å; F57-Y120 HydrophobicContact CD2-CE2 4.24Å; F57-Y120 HydrophobicContact CG-CD2 4.4Å; F57-C124 HydrophobicContact CB-CB 3.87Å; F57-C124 WeakPolarHBondContact O-CB 3.33Å; F57-L125 HydrophobicContact CD1-CD2 3.5Å; F57-L125 VanDerWaalsContact CD1-CD2 3.5Å; F57-L125 HydrophobicContact CD2-CD2 3.66Å; F57-L125 HydrophobicContact CE1-CD2 3.29Å; F57-L125 HydrophobicContact CE2-CD2 3.5Å; F57-L125 HydrophobicContact CG-CD2 3.66Å; F57-L125 HydrophobicContact CZ-CD2 3.29Å; F57-T128 HydrophobicContact CD1-CG2 4.12Å; F57-T128 HydrophobicContact CE1-CG2 4.07Å; F57-F129 HydrophobicContact CE1-CE1 4.45Å; F57-F129 AromaticContact CE1-CE2 3.81Å; F57-F129 HydrophobicContact CE1-CE2 3.81Å; F57-F129 AromaticContact CE1-CZ 3.71Å; F57-F129 HydrophobicContact CE1-CZ 3.71Å; F57-F129 AromaticContact CZ-CE2 3.95Å; F57-F129 HydrophobicContact CZ-CE2 3.95Å; F57-F129 AromaticContact CZ-CZ 3.69Å; F57-F129 HydrophobicContact CZ-CZ 3.69Å; F57-Y162 AromaticContact CE2-CD2 3.58Å; F57-Y162 HydrophobicContact CE2-CD2 3.58Å; F57-Y162 AromaticContact CE2-CE2 3.93Å; F57-Y162 HydrophobicContact CE2-CE2 3.93Å; F57-Y162 HydrophobicContact CE2-CG 4.41Å; F57-Y162 AromaticContact CZ-CD2 3.86Å; F57-Y162 HydrophobicContact CZ-CD2 3.86Å; F57-Y162 HydrophobicContact CZ-CE2 4.45Å; F57-Y162 HydrophobicContact CZ-CG 4.25Å
58L96.8Very high96.5Very high97 Ų9734.3 Ų34.351%0.50819%0.186SC..Hα-helixtrans-63.1-40.3171.8-177.162.5000111.6A54 A55 F61 S62A54-L58 PolarHBondContact O-N 3.07Å; A55-L58 PolarHBondContact O-N 3.08Å; L58-F61 HydrophobicContact CD1-CD1 4.49Å; L58-S62 WeakPolarHBondContact O-CB 3.32Å; L58-S62 PolarHBondContact O-N 2.94Å; L58-S62 PolarHBondContact O-OG 2.7Å
59L97.4Very high96.7Very high87 Ų8735.8 Ų35.846%0.45520%0.195SC..Hα-helixtrans-66-46.6174.6-178.757.3000111.7A55 T56 F57 F61 S62 L63 I302A55-L59 PolarHBondContact O-N 2.86Å; T56-L59 WeakPolarHBondContact O-CB 3.45Å; T56-L59 PolarHBondContact O-N 3.29Å; F57-L59 VanDerWaalsContact C-N 3.32Å; L59-F61 PolarHBondContact O-N 2.86Å; L59-S62 WeakPolarHBondContact O-CB 3.43Å; L59-S62 PolarHBondContact O-N 2.73Å; L59-S62 VanDerWaalsContact O-N 3.16Å; L59-L63 WeakPolarHBondContact O-CG 3.17Å; L59-L63 PolarHBondContact O-N 2.99Å; L59-I302 HydrophobicContact CD2-CD1 3.87Å; L59-I302 HydrophobicContact CD2-CG2 4.16Å; L59-I302 HydrophobicContact CG-CD1 4.3Å
60C97.7Very high96.6Very high0 Ų041.6 Ų41.60%022%0.217CC..Hα-helixtrans-61-44.4177-64.20000111.8T56 F57 S62 L63 T64 T128 A299T56-C60 PolarHBondContact O-N 3.42Å; T56-C60 PolarHBondContact O-SG 3.34Å; F57-C60 PolarHBondContact O-N 3.02Å; C60-S62 VanDerWaalsContact C-N 3.31Å; C60-S62 PolarHBondContact O-N 3.43Å; C60-L63 PolarHBondContact O-N 2.88Å; C60-T64 WeakPolarHBondContact O-CG2 3.28Å; C60-T64 PolarHBondContact O-N 3.34Å; C60-T128 HydrophobicContact CB-CG2 3.7Å; C60-A299 HydrophobicContact CB-CB 4.1Å; C60-A299 PolarHBondContact SG-O 3.31Å; C60-A299 VanDerWaalsContact SG-O 3.32Å
61F96.7Very high96.4Very high30 Ų3044.1 Ų44.113%0.13223%0.229CC..Hα-helixtrans-54.6-47.6172.9167.7-92.8000111.3F57 L58 L59 L63 T64 L65 W79 F83 F123 C124 P127F57-F61 WeakPolarHBondContact O-CB 3.33Å; F57-F61 PolarHBondContact O-N 2.95Å; L58-F61 HydrophobicContact CD1-CD1 4.49Å; L59-F61 PolarHBondContact O-N 2.86Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.45Å; F61-T64 PolarHBondContact O-N 3.35Å; F61-T64 PolarHBondContact O-OG1 2.96Å; F61-L65 HydrophobicContact CE1-CD2 4.35Å; F61-L65 WeakPolarHBondContact O-CB 3.34Å; F61-L65 PolarHBondContact O-N 2.96Å; F61-W79 HydrophobicContact CD2-CH2 4.44Å; F61-W79 AromaticContact CD2-CZ2 3.75Å; F61-W79 HydrophobicContact CD2-CZ2 3.75Å; F61-W79 HydrophobicContact CE1-CH2 4.39Å; F61-W79 HydrophobicContact CE1-CZ2 4.24Å; F61-W79 AromaticContact CE2-CH2 3.44Å; F61-W79 HydrophobicContact CE2-CH2 3.44Å; F61-W79 VanDerWaalsContact CE2-CH2 3.44Å; F61-W79 AromaticContact CE2-CZ2 3.17Å; F61-W79 HydrophobicContact CE2-CZ2 3.17Å; F61-W79 AromaticContact CZ-CH2 3.41Å; F61-W79 HydrophobicContact CZ-CH2 3.41Å; F61-W79 VanDerWaalsContact CZ-CH2 3.41Å; F61-W79 AromaticContact CZ-CZ2 3.47Å; F61-W79 HydrophobicContact CZ-CZ2 3.47Å; F61-W79 VanDerWaalsContact CZ-CZ2 3.47Å; F61-F83 HydrophobicContact CE2-CD2 4.1Å; F61-F83 HydrophobicContact CE2-CE2 4.45Å; F61-F123 WeakPolarHBondContact CD2-O 3.32Å; F61-F123 WeakPolarHBondContact CE2-O 3.48Å; F61-C124 HydrophobicContact CB-CB 3.86Å; F61-C124 HydrophobicContact CD2-CB 4.47Å; F61-C124 HydrophobicContact CG-CB 4.37Å; F61-P127 HydrophobicContact CD2-CB 4.07Å; F61-P127 HydrophobicContact CD2-CG 4.02Å; F61-P127 HydrophobicContact CE2-CG 4.15Å
62S97.5Very high96.3Very high47 Ų4744 Ų4433%0.32923%0.229SC..Hα-helixtrans-61.3-41.8179.6-56.60000111.7L58 L59 C60 L65 I66L58-S62 WeakPolarHBondContact O-CB 3.32Å; L58-S62 PolarHBondContact O-N 2.94Å; L58-S62 PolarHBondContact O-OG 2.7Å; L59-S62 WeakPolarHBondContact O-CB 3.43Å; L59-S62 PolarHBondContact O-N 2.73Å; L59-S62 VanDerWaalsContact O-N 3.16Å; C60-S62 VanDerWaalsContact C-N 3.31Å; C60-S62 PolarHBondContact O-N 3.43Å; S62-L65 PolarHBondContact O-N 2.78Å; S62-I66 VanDerWaalsContact O-CG1 3.25Å; S62-I66 WeakPolarHBondContact O-CG1 3.48Å; S62-I66 PolarHBondContact O-N 3.27Å
63L97.5Very high95.9Very high26 Ų2641.1 Ų41.114%0.13622%0.224CC..Hα-helixtrans-64.3-41.9175.8-70.6171000112.7L59 C60 F61 L65 I66 H67 E295 I298 A299 I302L59-L63 WeakPolarHBondContact O-CG 3.17Å; L59-L63 PolarHBondContact O-N 2.99Å; C60-L63 PolarHBondContact O-N 2.88Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.45Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 2.85Å; L63-I66 PolarHBondContact O-N 2.99Å; L63-H67 PolarHBondContact O-N 3.28Å; L63-E295 HydrophobicContact CB-CB 4.29Å; L63-E295 HydrophobicContact CD2-CB 4.43Å; L63-I298 HydrophobicContact CD1-CB 4.43Å; L63-I298 HydrophobicContact CD1-CG2 3.83Å; L63-A299 HydrophobicContact CB-CB 4.04Å; L63-A299 HydrophobicContact CD1-CB 3.87Å; L63-I302 HydrophobicContact CD1-CD1 3.88Å
64T97.3Very high95.7Very high0 Ų044.6 Ų44.60%024%0.237CC..Hα-helixtrans-64.3-35.917564.30000112.4C60 F61 H67 A68 W79 Y131 L296C60-T64 WeakPolarHBondContact O-CG2 3.28Å; C60-T64 PolarHBondContact O-N 3.34Å; F61-T64 PolarHBondContact O-N 3.35Å; F61-T64 PolarHBondContact O-OG1 2.96Å; T64-H67 PolarHBondContact O-N 3.13Å; T64-A68 PolarHBondContact O-N 3.25Å; T64-W79 PolarHBondContact OG1-NE1 3.22Å; T64-Y131 HydrophobicContact CG2-CD1 4.32Å; T64-L296 HydrophobicContact CG2-CD2 3.81Å
65L97.4Very high95.6Very high43 Ų4346.8 Ų46.823%0.22524%0.242CC..Hα-helixtrans-69.4-43.5177.1-177.454000111.5F61 S62 L63 H67 A68 F69 W79F61-L65 HydrophobicContact CE1-CD2 4.35Å; F61-L65 WeakPolarHBondContact O-CB 3.34Å; F61-L65 PolarHBondContact O-N 2.96Å; S62-L65 PolarHBondContact O-N 2.78Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 2.85Å; L65-H67 VanDerWaalsContact C-N 3.31Å; L65-H67 PolarHBondContact O-N 2.93Å; L65-A68 WeakPolarHBondContact O-CB 3.49Å; L65-A68 PolarHBondContact O-N 3.32Å; L65-A68 VanDerWaalsContact O-N 3.12Å; L65-F69 HydrophobicContact CD1-CD2 3.59Å; L65-F69 HydrophobicContact CD1-CE2 3.25Å; L65-F69 HydrophobicContact CD1-CZ 4.18Å; L65-F69 HydrophobicContact CD2-CE2 4.12Å; L65-F69 HydrophobicContact CG-CD2 3.74Å; L65-F69 HydrophobicContact CG-CE2 3.59Å; L65-F69 WeakPolarHBondContact O-CD2 3.37Å; L65-F69 PolarHBondContact O-N 2.88Å; L65-W79 HydrophobicContact CB-CH2 4.41Å; L65-W79 HydrophobicContact CB-CZ2 3.7Å; L65-W79 HydrophobicContact CD1-CD2 3.78Å; L65-W79 HydrophobicContact CD1-CE3 3.72Å; L65-W79 HydrophobicContact CD1-CH2 3.64Å; L65-W79 HydrophobicContact CD1-CZ2 3.66Å; L65-W79 HydrophobicContact CD1-CZ3 3.67Å; L65-W79 HydrophobicContact CD2-CH2 4.03Å; L65-W79 HydrophobicContact CD2-CZ2 4.11Å; L65-W79 HydrophobicContact CG-CH2 4.23Å; L65-W79 HydrophobicContact CG-CZ2 4.02Å
66I97.6Very high95.5Very high92 Ų9246.7 Ų46.747%0.47223%0.232SC..Hα-helixtrans-57.7-45.9173.7-70.4163.5000110.2S62 L63 A68 F69 R70 E295S62-I66 VanDerWaalsContact O-CG1 3.25Å; S62-I66 WeakPolarHBondContact O-CG1 3.48Å; S62-I66 PolarHBondContact O-N 3.27Å; L63-I66 PolarHBondContact O-N 2.99Å; I66-A68 VanDerWaalsContact C-N 3.32Å; I66-A68 PolarHBondContact O-N 3.28Å; I66-F69 PolarHBondContact O-N 3.45Å; I66-R70 VanDerWaalsContact O-CB 3.31Å; I66-R70 WeakPolarHBondContact O-CB 3.29Å; I66-R70 PolarHBondContact O-N 3.37Å; I66-E295 HydrophobicContact CG2-CG 4.29Å
67H95.8Very high95.4Very high0 Ų048.1 Ų48.10%024%0.237CC..Hα-helixtrans-57.2-46.2174.5174.7-81000111.7L63 T64 L65 F69 R70 H71 Y131 E295 L296L63-H67 PolarHBondContact O-N 3.28Å; T64-H67 PolarHBondContact O-N 3.13Å; L65-H67 VanDerWaalsContact C-N 3.31Å; L65-H67 PolarHBondContact O-N 2.93Å; H67-F69 PolarHBondContact O-N 3.37Å; H67-R70 PolarHBondContact O-N 2.94Å; H67-H71 AromaticContact CD2-CD2 3.62Å; H67-H71 AromaticContact CD2-NE2 3.78Å; H67-H71 AromaticContact CE1-CD2 3.6Å; H67-H71 AromaticContact ND1-CD2 3.99Å; H67-H71 AromaticContact NE2-CD2 3.37Å; H67-H71 PolarHBondContact NE2-CD2 3.4Å; H67-H71 AromaticContact NE2-NE2 3.55Å; H67-H71 PolarHBondContact O-CD2 2.94Å; H67-H71 PolarHBondContact O-N 3.48Å; H67-H71 VanDerWaalsContact O-N 3.17Å; H67-Y131 PolarHBondContact CE1-OH 3.28Å; H67-Y131 AromaticContact ND1-CE1 3.52Å; H67-Y131 AromaticContact ND1-CZ 3.58Å; H67-Y131 PolarHBondContact ND1-OH 2.76Å; H67-E295 HydrophobicContact CB-CB 4.18Å; H67-E295 IonicContact CD2-OE2 3.88Å; H67-L296 HydrophobicContact CB-CD2 4.13Å; H67-L296 HydrophobicContact CB-CG 4.43Å
68A96.7Very high95.4Very high0 Ų049.2 Ų49.20%024%0.243CC..Hα-helixtrans-61.6-44.4179.600000112.5T64 L65 I66 G72 I76 W79 Y131T64-A68 PolarHBondContact O-N 3.25Å; L65-A68 WeakPolarHBondContact O-CB 3.49Å; L65-A68 PolarHBondContact O-N 3.32Å; L65-A68 VanDerWaalsContact O-N 3.12Å; I66-A68 VanDerWaalsContact C-N 3.32Å; I66-A68 PolarHBondContact O-N 3.28Å; A68-G72 PolarHBondContact O-N 2.64Å; A68-I76 VanDerWaalsContact O-CG1 3.28Å; A68-I76 WeakPolarHBondContact O-CG1 3.39Å; A68-W79 HydrophobicContact CB-CB 3.61Å; A68-W79 HydrophobicContact CB-CG 3.82Å; A68-Y131 VanDerWaalsContact CA-OH 3.3Å; A68-Y131 WeakPolarHBondContact CA-OH 3.44Å; A68-Y131 WeakPolarHBondContact CB-OH 3.39Å
69F96.6Very high95.4Very high131 Ų13145.9 Ų45.958%0.57522%0.224SC*.Hα-helixtrans-67.8-40.7176.6-81.7-64.7000113L65 I66 H67 H71 G72 I76L65-F69 HydrophobicContact CD1-CD2 3.59Å; L65-F69 HydrophobicContact CD1-CE2 3.25Å; L65-F69 HydrophobicContact CD1-CZ 4.18Å; L65-F69 HydrophobicContact CD2-CE2 4.12Å; L65-F69 HydrophobicContact CG-CD2 3.74Å; L65-F69 HydrophobicContact CG-CE2 3.59Å; L65-F69 WeakPolarHBondContact O-CD2 3.37Å; L65-F69 PolarHBondContact O-N 2.88Å; I66-F69 PolarHBondContact O-N 3.45Å; H67-F69 PolarHBondContact O-N 3.37Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 PolarHBondContact O-N 2.94Å; F69-G72 PolarHBondContact O-N 3.48Å; F69-I76 HydrophobicContact CD1-CD1 3.88Å; F69-I76 HydrophobicContact CD1-CG1 4.42Å; F69-I76 HydrophobicContact CE1-CD1 4.27Å
70R94.7Very high95.4Very high122 Ų12245.1 Ų45.146%0.4622%0.218SC..Hα-helixtrans-61.9-41.1-179.2-177.3169.467.9120.6-4.5112.4I66 H67 S292 E295I66-R70 VanDerWaalsContact O-CB 3.31Å; I66-R70 WeakPolarHBondContact O-CB 3.29Å; I66-R70 PolarHBondContact O-N 3.37Å; H67-R70 PolarHBondContact O-N 2.94Å; R70-S292 PolarHBondContact NH2-O 3.42Å; R70-S292 VanDerWaalsContact NH2-O 3.08Å; R70-S292 PolarHBondContact NH2-OG 3.03Å; R70-S292 VanDerWaalsContact NH2-OG 3.07Å; R70-E295 IonicContact CZ-OE1 3.05Å; R70-E295 IonicContact CZ-OE2 3.63Å; R70-E295 IonicContact NE-OE1 3.55Å; R70-E295 PolarHBondContact NE-OE1 2.88Å; R70-E295 IonicContact NE-OE2 3.85Å; R70-E295 IonicContact NH2-OE1 2.94Å; R70-E295 PolarHBondContact NH2-OE1 3.27Å; R70-E295 IonicContact NH2-OE2 2.7Å; R70-E295 PolarHBondContact NH2-OE2 3.43Å
71H91.6Very high95.4Very high55 Ų5545.1 Ų45.126%0.25522%0.218SC..Hα-helixtrans-87.6-21.3179.2-69.7-71000113.4H67 F69 Y75 S292H67-H71 AromaticContact CD2-CD2 3.62Å; H67-H71 AromaticContact CD2-NE2 3.78Å; H67-H71 AromaticContact CE1-CD2 3.6Å; H67-H71 AromaticContact ND1-CD2 3.99Å; H67-H71 AromaticContact NE2-CD2 3.37Å; H67-H71 PolarHBondContact NE2-CD2 3.4Å; H67-H71 AromaticContact NE2-NE2 3.55Å; H67-H71 PolarHBondContact O-CD2 2.94Å; H67-H71 PolarHBondContact O-N 3.48Å; H67-H71 VanDerWaalsContact O-N 3.17Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 PolarHBondContact O-N 2.94Å; H71-Y75 HydrophobicContact CB-CD2 3.52Å; H71-Y75 HydrophobicContact CB-CE2 3.93Å; H71-Y75 HydrophobicContact CB-CG 3.98Å; H71-S292 PolarHBondContact NE2-O 3.34Å
72G91.2Very high95.5Very high16 Ų1643.7 Ų43.717%0.16521%0.211CC..  trans60.5-163.9174.600000114.4A68 F69 R74 Y75A68-G72 PolarHBondContact O-N 2.64Å; F69-G72 PolarHBondContact O-N 3.48Å; G72-R74 PolarHBondContact O-N 3.49Å; G72-Y75 WeakPolarHBondContact O-CB 3.12Å; G72-Y75 PolarHBondContact O-N 3.46Å; G72-Y75 VanDerWaalsContact O-N 3.1Å
73G88.1Confident95.4Very high27 Ų2743.9 Ų43.928%0.27821%0.206SC..THydrogen-bonded Turntrans54-128.817600000113.1Y75 I76 Y77G73-Y75 PolarHBondContact O-N 2.97Å; G73-I76 PolarHBondContact O-N 3.29Å; G73-Y77 WeakPolarHBondContact O-CD2 3.34Å
74R91.8Very high95.5Very high74 Ų7444.5 Ų44.528%0.27921%0.21SC..Hα-helixtrans-61.3-23.9-178.8-71.5-174.2170.7161.22.4113.8G72 I76 Y77 L78 P216 P217 Y219 E227G72-R74 PolarHBondContact O-N 3.49Å; R74-I76 VanDerWaalsContact C-N 3.33Å; R74-I76 PolarHBondContact O-N 2.94Å; R74-Y77 PolarHBondContact O-N 2.96Å; R74-L78 VanDerWaalsContact O-CB 3.26Å; R74-L78 WeakPolarHBondContact O-CB 3.46Å; R74-L78 PolarHBondContact O-N 3.46Å; R74-P216 PolarHBondContact NH2-O 3.41Å; R74-P217 PolarHBondContact NH1-O 3.3Å; R74-Y219 HydrophobicContact CG-CD2 3.68Å; R74-Y219 HydrophobicContact CG-CE2 4.22Å; R74-Y219 HydrophobicContact CG-CG 4.37Å; R74-E227 IonicContact CZ-OE1 2.94Å; R74-E227 VanDerWaalsContact CZ-OE1 3.27Å; R74-E227 IonicContact NE-OE1 3.72Å; R74-E227 PolarHBondContact NE-OE1 3.02Å; R74-E227 IonicContact NE-OE2 3.34Å; R74-E227 PolarHBondContact NE-OE2 3.39Å; R74-E227 IonicContact NH2-OE1 3.64Å; R74-E227 PolarHBondContact NH2-OE1 2.91Å
75Y93.7Very high95.5Very high65 Ų6544.5 Ų44.526%0.25521%0.21SC..Hα-helixtrans-66.9-34.3-179.2-70.9-80.2000112.7H71 G72 G73 W79 V135H71-Y75 HydrophobicContact CB-CD2 3.52Å; H71-Y75 HydrophobicContact CB-CE2 3.93Å; H71-Y75 HydrophobicContact CB-CG 3.98Å; G72-Y75 WeakPolarHBondContact O-CB 3.12Å; G72-Y75 PolarHBondContact O-N 3.46Å; G72-Y75 VanDerWaalsContact O-N 3.1Å; G73-Y75 PolarHBondContact O-N 2.97Å; Y75-W79 VanDerWaalsContact O-CB 3.3Å; Y75-W79 WeakPolarHBondContact O-CB 3.42Å; Y75-W79 PolarHBondContact O-N 3.07Å; Y75-V135 HydrophobicContact CD1-CG2 4.07Å; Y75-V135 HydrophobicContact CE1-CG1 4.24Å; Y75-V135 HydrophobicContact CE1-CG2 4Å
76I95.6Very high95.5Very high56 Ų5642.4 Ų42.429%0.28720%0.199SC..Hα-helixtrans-69-47178-62.9176.1000110.4A68 F69 G73 R74 L78 W79 Q80A68-I76 VanDerWaalsContact O-CG1 3.28Å; A68-I76 WeakPolarHBondContact O-CG1 3.39Å; F69-I76 HydrophobicContact CD1-CD1 3.88Å; F69-I76 HydrophobicContact CD1-CG1 4.42Å; F69-I76 HydrophobicContact CE1-CD1 4.27Å; G73-I76 PolarHBondContact O-N 3.29Å; R74-I76 VanDerWaalsContact C-N 3.33Å; R74-I76 PolarHBondContact O-N 2.94Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 3.5Å; I76-W79 PolarHBondContact O-N 3.28Å; I76-Q80 PolarHBondContact O-N 3.46Å
77Y95.4Very high95.5Very high41 Ų4139.5 Ų39.516%0.16118%0.184CC..Hα-helixtrans-64.2-39.9178.6-49.6-49.7000111.4G73 R74 Q80 S81 Y219 F224 E227 I228G73-Y77 WeakPolarHBondContact O-CD2 3.34Å; R74-Y77 PolarHBondContact O-N 2.96Å; Y77-Q80 PolarHBondContact O-N 3.02Å; Y77-S81 WeakPolarHBondContact O-CB 3.28Å; Y77-S81 PolarHBondContact O-N 3.41Å; Y77-Y219 HydrophobicContact CE2-CE2 4.11Å; Y77-F224 WeakPolarHBondContact OH-CB 3.48Å; Y77-E227 HydrophobicContact CD2-CB 3.82Å; Y77-E227 HydrophobicContact CE2-CB 4.09Å; Y77-E227 HydrophobicContact CG-CB 4.45Å; Y77-I228 HydrophobicContact CD1-CD1 4.17Å; Y77-I228 HydrophobicContact CD1-CG1 3.53Å; Y77-I228 HydrophobicContact CE1-CD1 3.99Å; Y77-I228 HydrophobicContact CE1-CG1 3.78Å; Y77-I228 HydrophobicContact CG-CG1 4.26Å
78L95.7Very high95.6Very high25 Ų2541.2 Ų41.213%0.13119%0.193CC..Hα-helixtrans-63.2-46.2175.4-172.162.2000111.3R74 I76 Q80 S81 T82 Y131 L134 L207R74-L78 VanDerWaalsContact O-CB 3.26Å; R74-L78 WeakPolarHBondContact O-CB 3.46Å; R74-L78 PolarHBondContact O-N 3.46Å; I76-L78 VanDerWaalsContact C-N 3.32Å; I76-L78 PolarHBondContact O-N 3.5Å; L78-Q80 PolarHBondContact O-N 3.45Å; L78-S81 WeakPolarHBondContact CA-OG 3.44Å; L78-S81 PolarHBondContact O-N 2.93Å; L78-S81 PolarHBondContact O-OG 3.45Å; L78-T82 PolarHBondContact O-N 2.92Å; L78-T82 VanDerWaalsContact O-N 3.08Å; L78-Y131 HydrophobicContact CB-CE2 4.37Å; L78-Y131 HydrophobicContact CD2-CD2 4.36Å; L78-Y131 HydrophobicContact CD2-CE2 4.32Å; L78-Y131 HydrophobicContact CG-CD2 4.18Å; L78-Y131 HydrophobicContact CG-CE2 4.36Å; L78-L134 HydrophobicContact CD1-CD1 3.6Å; L78-L134 HydrophobicContact CD2-CB 4.24Å; L78-L134 HydrophobicContact CD2-CD1 4.03Å; L78-L134 HydrophobicContact CG-CD1 3.88Å; L78-L207 HydrophobicContact CD1-CD2 3.5Å
79W97.8Very high95.6Very high27 Ų2741.7 Ų41.710%0.10219%0.194CC..Hα-helixtrans-59.9-48.4177.3-176.593.8000111.5F61 T64 L65 A68 Y75 I76 S81 T82 F83 P127 Y131F61-W79 HydrophobicContact CD2-CH2 4.44Å; F61-W79 AromaticContact CD2-CZ2 3.75Å; F61-W79 HydrophobicContact CD2-CZ2 3.75Å; F61-W79 HydrophobicContact CE1-CH2 4.39Å; F61-W79 HydrophobicContact CE1-CZ2 4.24Å; F61-W79 AromaticContact CE2-CH2 3.44Å; F61-W79 HydrophobicContact CE2-CH2 3.44Å; F61-W79 VanDerWaalsContact CE2-CH2 3.44Å; F61-W79 AromaticContact CE2-CZ2 3.17Å; F61-W79 HydrophobicContact CE2-CZ2 3.17Å; F61-W79 AromaticContact CZ-CH2 3.41Å; F61-W79 HydrophobicContact CZ-CH2 3.41Å; F61-W79 VanDerWaalsContact CZ-CH2 3.41Å; F61-W79 AromaticContact CZ-CZ2 3.47Å; F61-W79 HydrophobicContact CZ-CZ2 3.47Å; F61-W79 VanDerWaalsContact CZ-CZ2 3.47Å; T64-W79 PolarHBondContact OG1-NE1 3.22Å; L65-W79 HydrophobicContact CB-CH2 4.41Å; L65-W79 HydrophobicContact CB-CZ2 3.7Å; L65-W79 HydrophobicContact CD1-CD2 3.78Å; L65-W79 HydrophobicContact CD1-CE3 3.72Å; L65-W79 HydrophobicContact CD1-CH2 3.64Å; L65-W79 HydrophobicContact CD1-CZ2 3.66Å; L65-W79 HydrophobicContact CD1-CZ3 3.67Å; L65-W79 HydrophobicContact CD2-CH2 4.03Å; L65-W79 HydrophobicContact CD2-CZ2 4.11Å; L65-W79 HydrophobicContact CG-CH2 4.23Å; L65-W79 HydrophobicContact CG-CZ2 4.02Å; A68-W79 HydrophobicContact CB-CB 3.61Å; A68-W79 HydrophobicContact CB-CG 3.82Å; Y75-W79 VanDerWaalsContact O-CB 3.3Å; Y75-W79 WeakPolarHBondContact O-CB 3.42Å; Y75-W79 PolarHBondContact O-N 3.07Å; I76-W79 PolarHBondContact O-N 3.28Å; W79-S81 PolarHBondContact O-N 2.96Å; W79-T82 PolarHBondContact O-N 3.25Å; W79-T82 VanDerWaalsContact O-N 3.07Å; W79-T82 PolarHBondContact O-OG1 2.95Å; W79-F83 PolarHBondContact O-N 2.94Å; W79-F83 VanDerWaalsContact O-N 3.11Å; W79-P127 HydrophobicContact CZ2-CB 4.4Å; W79-Y131 HydrophobicContact CB-CD2 3.87Å; W79-Y131 HydrophobicContact CB-CE2 3.72Å; W79-Y131 HydrophobicContact CB-CG 4.48Å; W79-Y131 AromaticContact CD1-CD1 3.88Å; W79-Y131 AromaticContact CD1-CG 3.93Å; W79-Y131 HydrophobicContact CG-CD2 4.43Å; W79-Y131 HydrophobicContact CG-CE2 4.48Å
80Q96.7Very high95.6Very high70 Ų7035.9 Ų35.933%0.32717%0.169SC..Hα-helixtrans-59.8-36.2176.9-171-169.335.700111.8I76 Y77 L78 F83 L84 W232I76-Q80 PolarHBondContact O-N 3.46Å; Y77-Q80 PolarHBondContact O-N 3.02Å; L78-Q80 PolarHBondContact O-N 3.45Å; Q80-F83 WeakPolarHBondContact O-CB 3.2Å; Q80-F83 PolarHBondContact O-N 3.45Å; Q80-L84 PolarHBondContact O-N 3.41Å; Q80-W232 VanDerWaalsContact OE1-NE1 3.15Å
81S97.8Very high95.6Very high0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-66.8-35.5176.874.40000113.2Y77 L78 W79 F83 L84 F85 F203 C231 A235Y77-S81 WeakPolarHBondContact O-CB 3.28Å; Y77-S81 PolarHBondContact O-N 3.41Å; L78-S81 WeakPolarHBondContact CA-OG 3.44Å; L78-S81 PolarHBondContact O-N 2.93Å; L78-S81 PolarHBondContact O-OG 3.45Å; W79-S81 PolarHBondContact O-N 2.96Å; S81-F83 VanDerWaalsContact C-N 3.33Å; S81-L84 PolarHBondContact O-N 2.93Å; S81-F85 WeakPolarHBondContact O-CB 3.25Å; S81-F85 PolarHBondContact O-N 3.37Å; S81-F203 WeakPolarHBondContact OG-CZ 3.43Å; S81-C231 WeakPolarHBondContact CB-O 3.3Å; S81-A235 VanDerWaalsContact O-CB 3.25Å; S81-A235 WeakPolarHBondContact O-CB 3.32Å
82T98.1Very high95.7Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-70.2-31.5174.662.50000112.6L78 W79 G86 Y126 V130 L134 F203L78-T82 PolarHBondContact O-N 2.92Å; L78-T82 VanDerWaalsContact O-N 3.08Å; W79-T82 PolarHBondContact O-N 3.25Å; W79-T82 VanDerWaalsContact O-N 3.07Å; W79-T82 PolarHBondContact O-OG1 2.95Å; T82-G86 PolarHBondContact O-N 3.38Å; T82-Y126 WeakPolarHBondContact O-CB 3.34Å; T82-V130 HydrophobicContact CG2-CB 4.07Å; T82-V130 HydrophobicContact CG2-CG1 3.85Å; T82-L134 HydrophobicContact CG2-CD1 3.91Å; T82-F203 HydrophobicContact CG2-CE1 4.01Å; T82-F203 HydrophobicContact CG2-CZ 3.99Å
83F97.2Very high95.8Very high51 Ų5129.7 Ų29.722%0.22414%0.143CC..Hα-helixtrans-64.4-51.3170.6175-90.7000110.9F61 W79 Q80 S81 F85 G86 I87 F123 P127F61-F83 HydrophobicContact CE2-CD2 4.1Å; F61-F83 HydrophobicContact CE2-CE2 4.45Å; W79-F83 PolarHBondContact O-N 2.94Å; W79-F83 VanDerWaalsContact O-N 3.11Å; Q80-F83 WeakPolarHBondContact O-CB 3.2Å; Q80-F83 PolarHBondContact O-N 3.45Å; S81-F83 VanDerWaalsContact C-N 3.33Å; F83-F85 VanDerWaalsContact C-N 3.34Å; F83-F85 PolarHBondContact O-N 3.34Å; F83-G86 PolarHBondContact O-N 2.9Å; F83-I87 HydrophobicContact CD1-CD1 3.92Å; F83-I87 HydrophobicContact CE1-CD1 3.36Å; F83-I87 HydrophobicContact CE1-CG1 4.48Å; F83-I87 HydrophobicContact CZ-CD1 3.81Å; F83-I87 PolarHBondContact O-N 3.4Å; F83-F123 HydrophobicContact CD2-CB 4.49Å; F83-F123 HydrophobicContact CD2-CD1 4.43Å; F83-F123 HydrophobicContact CE1-CD1 4.49Å; F83-F123 HydrophobicContact CE2-CB 3.78Å; F83-F123 AromaticContact CE2-CD1 3.34Å; F83-F123 HydrophobicContact CE2-CD1 3.34Å; F83-F123 HydrophobicContact CE2-CE1 4.25Å; F83-F123 AromaticContact CE2-CG 3.9Å; F83-F123 HydrophobicContact CE2-CG 3.9Å; F83-F123 AromaticContact CZ-CD1 3.37Å; F83-F123 HydrophobicContact CZ-CD1 3.37Å; F83-F123 AromaticContact CZ-CE1 3.83Å; F83-F123 HydrophobicContact CZ-CE1 3.83Å; F83-F123 HydrophobicContact CZ-CG 4.29Å; F83-P127 HydrophobicContact CB-CG 4.03Å; F83-P127 HydrophobicContact CD2-CG 4.43Å
84L98Very high96.1Very high39 Ų3929.4 Ų29.420%0.20414%0.135CC..Hα-helixtrans-62.4-40177.2-178.760.1000112.1Q80 S81 G86 I87 I88 W232 A235Q80-L84 PolarHBondContact O-N 3.41Å; S81-L84 PolarHBondContact O-N 2.93Å; L84-G86 VanDerWaalsContact C-N 3.27Å; L84-G86 PolarHBondContact O-N 3.25Å; L84-I87 PolarHBondContact O-N 3.45Å; L84-I88 HydrophobicContact CD1-CD1 4.32Å; L84-I88 HydrophobicContact CD1-CG1 4.13Å; L84-I88 HydrophobicContact CG-CG1 4.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.02Å; L84-I88 PolarHBondContact O-N 3.42Å; L84-W232 HydrophobicContact CD2-CB 4.03Å; L84-W232 HydrophobicContact CD2-CD2 4.16Å; L84-W232 HydrophobicContact CD2-CG 3.77Å; L84-A235 HydrophobicContact CB-CB 3.94Å; L84-A235 HydrophobicContact CD2-CB 3.95Å; L84-A235 HydrophobicContact CG-CB 3.92Å
85F98.4Very high96Very high0 Ų030.7 Ų30.70%014%0.141CC..Hα-helixtrans-53.6-45.9174.7169-86.7000111.3S81 F83 I88 R89 Y126 V130 S199 V200 F203 A235 P239S81-F85 WeakPolarHBondContact O-CB 3.25Å; S81-F85 PolarHBondContact O-N 3.37Å; F83-F85 VanDerWaalsContact C-N 3.34Å; F83-F85 PolarHBondContact O-N 3.34Å; F85-I88 PolarHBondContact O-N 3.47Å; F85-R89 VanDerWaalsContact O-CB 3.3Å; F85-R89 WeakPolarHBondContact O-CB 3.48Å; F85-R89 PolarHBondContact O-N 2.84Å; F85-Y126 AromaticContact CD1-CD1 3.76Å; F85-Y126 HydrophobicContact CD1-CD1 3.76Å; F85-Y126 HydrophobicContact CD1-CE1 4.48Å; F85-Y126 HydrophobicContact CD1-CG 4.28Å; F85-Y126 AromaticContact CE1-CD1 3.64Å; F85-Y126 HydrophobicContact CE1-CD1 3.64Å; F85-Y126 HydrophobicContact CE1-CE1 4.04Å; F85-V130 HydrophobicContact CD1-CG2 4.43Å; F85-V130 HydrophobicContact CE1-CG2 4.22Å; F85-S199 WeakPolarHBondContact CE2-O 3.21Å; F85-V200 HydrophobicContact CE1-CG2 4.34Å; F85-V200 HydrophobicContact CZ-CG2 3.99Å; F85-F203 HydrophobicContact CB-CD2 4.49Å; F85-F203 HydrophobicContact CB-CE2 4.48Å; F85-F203 HydrophobicContact CD2-CB 3.8Å; F85-F203 AromaticContact CD2-CD2 3.86Å; F85-F203 HydrophobicContact CD2-CD2 3.86Å; F85-F203 AromaticContact CD2-CG 3.84Å; F85-F203 HydrophobicContact CD2-CG 3.84Å; F85-F203 HydrophobicContact CE2-CB 3.72Å; F85-F203 HydrophobicContact CE2-CG 4.2Å; F85-F203 HydrophobicContact CG-CD2 4.5Å; F85-A235 HydrophobicContact CB-CB 4.24Å; F85-P239 HydrophobicContact CD2-CG 4.17Å; F85-P239 HydrophobicContact CE2-CB 4.16Å; F85-P239 HydrophobicContact CE2-CG 4.25Å
86G97.4Very high95.9Very high0 Ų032.2 Ų32.20%015%0.153CC..Hα-helixtrans-61.2-46.1177.800000113T82 F83 L84 R89 E90T82-G86 PolarHBondContact O-N 3.38Å; F83-G86 PolarHBondContact O-N 2.9Å; L84-G86 VanDerWaalsContact C-N 3.27Å; L84-G86 PolarHBondContact O-N 3.25Å; G86-R89 PolarHBondContact O-N 2.88Å; G86-E90 WeakPolarHBondContact O-CG 3.32Å; G86-E90 PolarHBondContact O-N 2.91Å
87I97Very high95.6Very high30 Ų3030.1 Ų30.115%0.15414%0.142CC..Hα-helixtrans-59.1-51.6176.8-65.4176.1000111F83 L84 R89 E90 I91 L122 F123F83-I87 HydrophobicContact CD1-CD1 3.92Å; F83-I87 HydrophobicContact CE1-CD1 3.36Å; F83-I87 HydrophobicContact CE1-CG1 4.48Å; F83-I87 HydrophobicContact CZ-CD1 3.81Å; F83-I87 PolarHBondContact O-N 3.4Å; L84-I87 PolarHBondContact O-N 3.45Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.22Å; I87-E90 PolarHBondContact O-N 3.32Å; I87-I91 HydrophobicContact CG2-CD1 3.54Å; I87-I91 HydrophobicContact CG2-CG1 4.36Å; I87-I91 WeakPolarHBondContact O-CB 3.31Å; I87-I91 VanDerWaalsContact O-CG1 3.3Å; I87-I91 WeakPolarHBondContact O-CG1 3.26Å; I87-I91 PolarHBondContact O-N 2.88Å; I87-L122 HydrophobicContact CB-CD1 4.18Å; I87-L122 HydrophobicContact CG1-CD1 3.84Å; I87-L122 HydrophobicContact CG1-CG 4.02Å; I87-L122 HydrophobicContact CG2-CD1 4.32Å; I87-F123 HydrophobicContact CD1-CD1 4.39Å; I87-F123 HydrophobicContact CD1-CE1 4.16Å
88I97.7Very high95.2Very high37 Ų3732 Ų3219%0.1916%0.16CC..Hα-helixtrans-62.2-42.7-179.4-61-57.2000110.5L84 F85 S92 V236 P239 L240L84-I88 HydrophobicContact CD1-CD1 4.32Å; L84-I88 HydrophobicContact CD1-CG1 4.13Å; L84-I88 HydrophobicContact CG-CG1 4.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.02Å; L84-I88 PolarHBondContact O-N 3.42Å; F85-I88 PolarHBondContact O-N 3.47Å; I88-S92 WeakPolarHBondContact O-CB 3.28Å; I88-S92 PolarHBondContact O-N 3.28Å; I88-S92 PolarHBondContact O-OG 2.65Å; I88-V236 HydrophobicContact CD1-CG2 4.46Å; I88-V236 HydrophobicContact CG1-CG2 4.2Å; I88-P239 HydrophobicContact CB-CG 3.99Å; I88-P239 HydrophobicContact CG2-CG 3.64Å; I88-L240 HydrophobicContact CG2-CD2 4.22Å; I88-L240 HydrophobicContact CG2-CG 4.18Å
89R97Very high94.8Very high10 Ų1031 Ų314%0.03815%0.154CC..Hα-helixtrans-57.1-54.4178-176.2-173174.7-69.83.6111.4F85 G86 I87 S92 N93 Y126 P239F85-R89 VanDerWaalsContact O-CB 3.3Å; F85-R89 WeakPolarHBondContact O-CB 3.48Å; F85-R89 PolarHBondContact O-N 2.84Å; G86-R89 PolarHBondContact O-N 2.88Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.22Å; R89-S92 PolarHBondContact O-N 3.3Å; R89-S92 PolarHBondContact O-OG 3.49Å; R89-N93 PolarHBondContact NH1-ND2 2.93Å; R89-N93 VanDerWaalsContact O-CG 3.28Å; R89-N93 PolarHBondContact O-N 3.37Å; R89-N93 PolarHBondContact O-ND2 3.43Å; R89-Y126 VanDerWaalsContact CD-OH 3.3Å; R89-Y126 WeakPolarHBondContact CD-OH 3.37Å; R89-Y126 PolarHBondContact NE-OH 2.95Å; R89-Y126 PolarHBondContact NH1-OH 3.21Å; R89-P239 HydrophobicContact CB-CB 3.87Å; R89-P239 HydrophobicContact CG-CB 4.33Å
90E96.3Very high94.5Very high8 Ų829.9 Ų29.94%0.03715%0.151CC..Hα-helixtrans-67.6-43.3-175.7-61.8-58.7166.900112.7G86 I87 S92 N93 V94 I117 V121 L122 Y126G86-E90 WeakPolarHBondContact O-CG 3.32Å; G86-E90 PolarHBondContact O-N 2.91Å; I87-E90 PolarHBondContact O-N 3.32Å; E90-S92 VanDerWaalsContact C-N 3.29Å; E90-S92 PolarHBondContact O-N 2.85Å; E90-N93 PolarHBondContact O-N 3.38Å; E90-V94 WeakPolarHBondContact O-CG2 3.17Å; E90-V94 PolarHBondContact O-N 3.25Å; E90-I117 HydrophobicContact CB-CD1 3.67Å; E90-I117 HydrophobicContact CB-CG1 4.23Å; E90-I117 HydrophobicContact CB-CG2 4.04Å; E90-I117 HydrophobicContact CG-CG2 4.16Å; E90-V121 HydrophobicContact CG-CG1 3.98Å; E90-V121 WeakPolarHBondContact OE1-CG1 3.27Å; E90-L122 HydrophobicContact CB-CD1 4.4Å; E90-Y126 HydrophobicContact CG-CE2 4.01Å; E90-Y126 WeakPolarHBondContact OE1-CE2 3.36Å; E90-Y126 VanDerWaalsContact OE1-CZ 3.31Å; E90-Y126 PolarHBondContact OE1-OH 3.08Å
91I95.1Very high94.3Very high44 Ų4429.2 Ų29.223%0.22615%0.149CC..Hα-helixtrans-62.1-40.9175.8-66.8176000110.4I87 N93 V94 Y95 F113I87-I91 HydrophobicContact CG2-CD1 3.54Å; I87-I91 HydrophobicContact CG2-CG1 4.36Å; I87-I91 WeakPolarHBondContact O-CB 3.31Å; I87-I91 VanDerWaalsContact O-CG1 3.3Å; I87-I91 WeakPolarHBondContact O-CG1 3.26Å; I87-I91 PolarHBondContact O-N 2.88Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-N93 PolarHBondContact O-N 3.17Å; I91-V94 PolarHBondContact O-N 3.5Å; I91-Y95 HydrophobicContact CG2-CD2 4.13Å; I91-Y95 PolarHBondContact O-N 3.39Å; I91-F113 HydrophobicContact CD1-CE1 4.05Å; I91-F113 HydrophobicContact CD1-CE2 3.9Å; I91-F113 HydrophobicContact CD1-CZ 3.49Å; I91-F113 VanDerWaalsContact CD1-CZ 3.49Å; I91-F113 HydrophobicContact CG1-CD2 4.34Å; I91-F113 HydrophobicContact CG1-CE1 4.45Å; I91-F113 HydrophobicContact CG1-CE2 3.84Å; I91-F113 HydrophobicContact CG1-CZ 3.91Å
92S94.6Very high94.1Very high1 Ų129.5 Ų29.51%0.00715%0.151CC..Iπ-helixtrans-64.3-39.8-179.973.20000112.3I88 R89 E90 V94 L96 F97I88-S92 WeakPolarHBondContact O-CB 3.28Å; I88-S92 PolarHBondContact O-N 3.28Å; I88-S92 PolarHBondContact O-OG 2.65Å; R89-S92 PolarHBondContact O-N 3.3Å; R89-S92 PolarHBondContact O-OG 3.49Å; E90-S92 VanDerWaalsContact C-N 3.29Å; E90-S92 PolarHBondContact O-N 2.85Å; S92-V94 VanDerWaalsContact C-N 3.3Å; S92-V94 PolarHBondContact O-N 2.66Å; S92-L96 PolarHBondContact O-N 3.45Å; S92-F97 PolarHBondContact O-N 2.88Å
93N93.5Very high94Very high18 Ų1830.7 Ų30.710%0.09616%0.158CC..Iπ-helixtrans-65-35.4178.8-72.1-17.6000112.4R89 E90 I91 A100 N101R89-N93 PolarHBondContact NH1-ND2 2.93Å; R89-N93 VanDerWaalsContact O-CG 3.28Å; R89-N93 PolarHBondContact O-N 3.37Å; R89-N93 PolarHBondContact O-ND2 3.43Å; E90-N93 PolarHBondContact O-N 3.38Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-N93 PolarHBondContact O-N 3.17Å; N93-A100 HydrophobicContact CB-CB 4.1Å; N93-A100 CarbonylContact O-C 3.56Å; N93-A100 VanDerWaalsContact O-C 3.25Å; N93-N101 VanDerWaalsContact O-CA 3.28Å; N93-N101 WeakPolarHBondContact O-CA 3.35Å; N93-N101 WeakPolarHBondContact O-CB 3.36Å; N93-N101 PolarHBondContact O-N 2.91Å; N93-N101 VanDerWaalsContact O-N 3.14Å
94V92.5Very high94Very high21 Ų2129.2 Ų29.213%0.12715%0.151CC..Iπ-helixtrans-85-41.8-177.7179.50000112.1E90 I91 S92 R116 I117E90-V94 WeakPolarHBondContact O-CG2 3.17Å; E90-V94 PolarHBondContact O-N 3.25Å; I91-V94 PolarHBondContact O-N 3.5Å; S92-V94 VanDerWaalsContact C-N 3.3Å; S92-V94 PolarHBondContact O-N 2.66Å; V94-R116 HydrophobicContact CG1-CB 4.34Å; V94-R116 HydrophobicContact CG1-CG 4.06Å; V94-R116 HydrophobicContact CG2-CB 4.44Å; V94-I117 HydrophobicContact CG2-CD1 4.08Å; V94-I117 HydrophobicContact CG2-CG1 4.25Å
95Y91Very high93.9Very high101 Ų10128 Ų2840%0.39615%0.145SC..Iπ-helixtrans-118.5-27.4-165.8-61.6-68.8000115.5W33 I91 F113W33-Y95 HydrophobicContact CZ2-CE2 4.48Å; I91-Y95 HydrophobicContact CG2-CD2 4.13Å; I91-Y95 PolarHBondContact O-N 3.39Å; Y95-F113 HydrophobicContact CE2-CB 3.79Å; Y95-F113 HydrophobicContact CE2-CG 4.34Å; Y95-F113 WeakPolarHBondContact OH-CB 3.25Å; Y95-F113 PolarHBondContact OH-O 3.46Å
96L90.3Very high93.7Very high97 Ų9728 Ų2851%0.50815%0.145SC..Iπ-helixtrans-93.7-37-176.1-60.2-178.7000112.4S92 P98 L240S92-L96 PolarHBondContact O-N 3.45Å; L96-P98 WeakPolarHBondContact O-CD 3.39Å; L96-L240 HydrophobicContact CD1-CD2 3.91Å
97F89.9Confident93.6Very high13 Ų1328.7 Ų28.76%0.05715%0.148CC..  trans-116.399.8-175.6-58-52.8000110.5S92 N99 A100 L240 Y243 L244 M340S92-F97 PolarHBondContact O-N 2.88Å; F97-N99 PolarHBondContact O-N 3.25Å; F97-A100 HydrophobicContact CB-CB 3.62Å; F97-A100 WeakPolarHBondContact O-CA 3.32Å; F97-A100 WeakPolarHBondContact O-CB 3.25Å; F97-A100 PolarHBondContact O-N 2.87Å; F97-L240 HydrophobicContact CE2-CD2 3.7Å; F97-L240 HydrophobicContact CZ-CB 4.36Å; F97-L240 HydrophobicContact CZ-CD2 3.7Å; F97-Y243 HydrophobicContact CB-CD1 4.21Å; F97-Y243 HydrophobicContact CB-CE1 3.72Å; F97-Y243 HydrophobicContact CB-CE2 4.15Å; F97-Y243 AromaticContact CD1-CD1 3.53Å; F97-Y243 HydrophobicContact CD1-CD1 3.53Å; F97-Y243 AromaticContact CD1-CE1 3.41Å; F97-Y243 HydrophobicContact CD1-CE1 3.41Å; F97-Y243 VanDerWaalsContact CD1-CE1 3.41Å; F97-Y243 HydrophobicContact CD1-CG 4.48Å; F97-Y243 AromaticContact CD2-CD1 3.45Å; F97-Y243 HydrophobicContact CD2-CD1 3.45Å; F97-Y243 VanDerWaalsContact CD2-CD1 3.45Å; F97-Y243 HydrophobicContact CD2-CD2 4.09Å; F97-Y243 AromaticContact CD2-CE1 3.88Å; F97-Y243 HydrophobicContact CD2-CE1 3.88Å; F97-Y243 HydrophobicContact CD2-CE2 4.46Å; F97-Y243 AromaticContact CD2-CG 3.59Å; F97-Y243 HydrophobicContact CD2-CG 3.59Å; F97-Y243 AromaticContact CE1-CD1 3.62Å; F97-Y243 HydrophobicContact CE1-CD1 3.62Å; F97-Y243 AromaticContact CE1-CE1 3.92Å; F97-Y243 HydrophobicContact CE1-CE1 3.92Å; F97-Y243 AromaticContact CE2-CD1 3.52Å; F97-Y243 HydrophobicContact CE2-CD1 3.52Å; F97-Y243 HydrophobicContact CE2-CE1 4.32Å; F97-Y243 AromaticContact CE2-CG 3.7Å; F97-Y243 HydrophobicContact CE2-CG 3.7Å; F97-Y243 AromaticContact CG-CD1 3.45Å; F97-Y243 HydrophobicContact CG-CD1 3.45Å; F97-Y243 VanDerWaalsContact CG-CD1 3.45Å; F97-Y243 HydrophobicContact CG-CD2 4.42Å; F97-Y243 AromaticContact CG-CE1 3.39Å; F97-Y243 HydrophobicContact CG-CE1 3.39Å; F97-Y243 HydrophobicContact CG-CE2 4.37Å; F97-Y243 HydrophobicContact CG-CG 4.01Å; F97-Y243 AromaticContact CG-CZ 3.89Å; F97-Y243 AromaticContact CZ-CD1 3.6Å; F97-Y243 HydrophobicContact CZ-CD1 3.6Å; F97-Y243 HydrophobicContact CZ-CE1 4.34Å; F97-Y243 HydrophobicContact CZ-CG 4.21Å; F97-L244 HydrophobicContact CE1-CD2 4.31Å; F97-M340 HydrophobicContact CD1-CE 3.64Å; F97-M340 HydrophobicContact CD1-SD 3.63Å; F97-M340 HydrophobicContact CE1-CE 4.15Å; F97-M340 HydrophobicContact CE1-SD 3.58Å; F97-M340 VanDerWaalsContact CE1-SD 3.58Å
98P86.4Confident93.4Very high81 Ų8127.5 Ų27.553%0.52614%0.142SC..G310 helixtrans-56-35179.7-27.735.6000113.7L96 A100 N101L96-P98 WeakPolarHBondContact O-CD 3.39Å; P98-A100 PolarHBondContact O-N 3.35Å; P98-N101 PolarHBondContact O-N 3.28Å
99N88.3Confident93.2Very high4 Ų430.1 Ų30.12%0.02116%0.156CC..G310 helixtrans-77.8-4.9178.5-49.8-29.8000113F97 F102 H178 F180 Y243 E247 T337 P338 F364F97-N99 PolarHBondContact O-N 3.25Å; N99-F102 WeakPolarHBondContact O-CD1 3.46Å; N99-H178 PolarHBondContact O-CE1 3.39Å; N99-H178 PolarHBondContact O-NE2 2.96Å; N99-F180 HydrophobicContact CB-CE2 4.42Å; N99-F180 WeakPolarHBondContact O-CD2 3.47Å; N99-F180 VanDerWaalsContact O-CE2 3.26Å; N99-F180 WeakPolarHBondContact O-CE2 3.39Å; N99-Y243 WeakPolarHBondContact CB-OH 3.15Å; N99-E247 PolarHBondContact ND2-OE1 2.87Å; N99-T337 WeakPolarHBondContact OD1-CB 3.39Å; N99-T337 PolarHBondContact OD1-OG1 2.86Å; N99-P338 PolarHBondContact ND2-O 2.87Å; N99-F364 HydrophobicContact CB-CD2 3.94Å; N99-F364 HydrophobicContact CB-CE2 4.16Å
100A91.1Very high93.1Very high3 Ų333 Ų333%0.02517%0.172CC..G310 helixtrans-97.6-11174.200000112.9N93 F97 P98 F102 Y243N93-A100 HydrophobicContact CB-CB 4.1Å; N93-A100 CarbonylContact O-C 3.56Å; N93-A100 VanDerWaalsContact O-C 3.25Å; F97-A100 HydrophobicContact CB-CB 3.62Å; F97-A100 WeakPolarHBondContact O-CA 3.32Å; F97-A100 WeakPolarHBondContact O-CB 3.25Å; F97-A100 PolarHBondContact O-N 2.87Å; P98-A100 PolarHBondContact O-N 3.35Å; A100-F102 VanDerWaalsContact C-CD1 3.41Å; A100-F102 HydrophobicContact CB-CE1 4.5Å; A100-F102 VanDerWaalsContact O-CD1 3.22Å; A100-F102 WeakPolarHBondContact O-CD1 3.42Å; A100-F102 VanDerWaalsContact O-CE1 3.32Å; A100-F102 WeakPolarHBondContact O-CE1 3.31Å; A100-F102 PolarHBondContact O-N 2.99Å; A100-Y243 HydrophobicContact CB-CD2 4.13Å; A100-Y243 HydrophobicContact CB-CE2 3.59Å
101N92.7Very high93.1Very high55 Ų5532.6 Ų32.629%0.29417%0.17SC..  trans-84.961.5-175.5-170.623.5000111.7N93 P98 R116N93-N101 VanDerWaalsContact O-CA 3.28Å; N93-N101 WeakPolarHBondContact O-CA 3.35Å; N93-N101 WeakPolarHBondContact O-CB 3.36Å; N93-N101 PolarHBondContact O-N 2.91Å; N93-N101 VanDerWaalsContact O-N 3.14Å; P98-N101 PolarHBondContact O-N 3.28Å; N101-R116 PolarHBondContact OD1-NH2 3.25Å
102F94.3Very high93.1Very high7 Ų732.6 Ų32.63%0.03117%0.168CC..  trans-11810.3-176.257.9-103.4000113.5N99 A100 W174 H175 H178 F180 V181 V192N99-F102 WeakPolarHBondContact O-CD1 3.46Å; A100-F102 VanDerWaalsContact C-CD1 3.41Å; A100-F102 HydrophobicContact CB-CE1 4.5Å; A100-F102 VanDerWaalsContact O-CD1 3.22Å; A100-F102 WeakPolarHBondContact O-CD1 3.42Å; A100-F102 VanDerWaalsContact O-CE1 3.32Å; A100-F102 WeakPolarHBondContact O-CE1 3.31Å; A100-F102 PolarHBondContact O-N 2.99Å; F102-W174 HydrophobicContact CD2-CE3 4.03Å; F102-W174 HydrophobicContact CD2-CZ3 4.29Å; F102-W174 HydrophobicContact CE2-CE3 4.1Å; F102-W174 AromaticContact CE2-CZ3 3.93Å; F102-W174 HydrophobicContact CE2-CZ3 3.93Å; F102-W174 CarbonylContact O-C 3.55Å; F102-W174 WeakPolarHBondContact O-CA 3.41Å; F102-H175 HydrophobicContact CB-CB 3.79Å; F102-H175 PolarHBondContact O-N 3.18Å; F102-H178 HydrophobicContact CB-CB 4.11Å; F102-H178 AromaticContact CD1-CE1 3.84Å; F102-F180 HydrophobicContact CD1-CD2 4.04Å; F102-F180 HydrophobicContact CE1-CB 4.39Å; F102-F180 AromaticContact CE1-CD2 3.63Å; F102-F180 HydrophobicContact CE1-CD2 3.63Å; F102-F180 HydrophobicContact CE1-CE2 4.47Å; F102-F180 HydrophobicContact CZ-CD2 4.47Å; F102-V181 HydrophobicContact CB-CG2 4.38Å; F102-V181 HydrophobicContact CD2-CG2 3.88Å; F102-V181 HydrophobicContact CG-CG2 4.27Å; F102-V192 HydrophobicContact CE2-CG2 3.35Å; F102-V192 HydrophobicContact CZ-CG2 3.67Å
103C95.7Very high93.1Very high24 Ų2434.3 Ų34.316%0.16218%0.176CC..EExtended strand (participates in β ladder)trans-123.5138-178.8-176.50000110.5R116 T173 W174C103-R116 PolarHBondContact O-NH1 3.42Å; C103-R116 PolarHBondContact O-NH2 3.47Å; C103-T173 CarbonylContact C-O 3.55Å; C103-T173 WeakPolarHBondContact CA-O 3.28Å; C103-W174 HydrophobicContact CB-CE3 3.95Å; C103-W174 HydrophobicContact CB-CZ3 3.75Å
104W96.3Very high93Very high21 Ų2134.9 Ų34.98%0.0819%0.186CC..EExtended strand (participates in β ladder)trans-123.5118.3172.7-72.1-108.1000109.9F172 T173 H175 L324 H325 Q326W104-F172 CarbonylContact O-C 3.25Å; W104-F172 WeakPolarHBondContact O-CA 3.38Å; W104-F172 WeakPolarHBondContact O-CB 3.44Å; W104-T173 PolarHBondContact N-O 3.31Å; W104-T173 PolarHBondContact O-N 3.47Å; W104-H175 HydrophobicContact CH2-CB 4.4Å; W104-H175 AromaticContact CH2-CD2 3.74Å; W104-H175 HydrophobicContact CZ3-CB 3.88Å; W104-L324 WeakPolarHBondContact CB-O 3.41Å; W104-H325 VanDerWaalsContact CD1-O 3.26Å; W104-H325 VanDerWaalsContact NE1-C 3.27Å; W104-H325 PolarHBondContact NE1-O 3.45Å; W104-Q326 HydrophobicContact CD2-CB 4.48Å; W104-Q326 HydrophobicContact CE3-CB 4.26Å; W104-Q326 HydrophobicContact CH2-CB 3.75Å; W104-Q326 HydrophobicContact CH2-CG 3.86Å; W104-Q326 HydrophobicContact CZ2-CB 3.99Å; W104-Q326 HydrophobicContact CZ2-CG 4.23Å; W104-Q326 HydrophobicContact CZ3-CB 3.89Å; W104-Q326 HydrophobicContact CZ3-CG 4.35Å
105H96.5Very high93Very high13 Ų1337.6 Ų37.66%0.0619%0.194CC..EExtended strand (participates in β ladder)trans-80144.7178.4-70.2-74.7000112.7Q107 R116 P118 F172H105-Q107 PolarHBondContact O-NE2 3.37Å; H105-R116 PolarHBondContact CD2-O 2.84Å; H105-P118 HydrophobicContact CB-CG 3.6Å; H105-F172 AromaticContact ND1-CD1 3.91Å
106G94.5Very high93.2Very high1 Ų133.6 Ų33.61%0.0118%0.178CC..PPolyproline II helixtrans-62.2151.5165.400000111P118 W171G106-P118 VanDerWaalsContact O-CG 3.32Å; G106-P118 WeakPolarHBondContact O-CG 3.28Å; G106-W171 PolarHBondContact N-O 3Å
107Q94.3Very high93.5Very high13 Ų1329 Ų296%0.06115%0.154CC..PPolyproline II helixtrans-79136.3-175.3-56.6-59.2-57.100110.2L43 L50 H105 R115 W396L43-Q107 VanDerWaalsContact CD1-O 3.28Å; L43-Q107 WeakPolarHBondContact CD1-O 3.48Å; L50-Q107 WeakPolarHBondContact CD2-O 3.35Å; H105-Q107 PolarHBondContact O-NE2 3.37Å; Q107-R115 PolarHBondContact NE2-O 2.99Å; Q107-W396 HydrophobicContact CG-CH2 3.94Å; Q107-W396 HydrophobicContact CG-CZ2 4.49Å
108T93.8Very high93.8Very high5 Ų528.4 Ų28.43%0.03115%0.151CC..  trans-121.3-179.917467.30000110.4H38 L50 L110 T111 P118 Y120H38-T108 WeakPolarHBondContact CB-O 3.34Å; L50-T108 HydrophobicContact CD1-CG2 4.08Å; L50-T108 HydrophobicContact CD2-CG2 3.75Å; L50-T108 HydrophobicContact CG-CG2 3.78Å; T108-L110 PolarHBondContact O-N 2.82Å; T108-L110 VanDerWaalsContact O-N 3.07Å; T108-L110 PolarHBondContact OG1-O 3.12Å; T108-T111 PolarHBondContact N-OG1 3.16Å; T108-T111 PolarHBondContact O-OG1 2.96Å; T108-P118 HydrophobicContact CG2-CB 3.81Å; T108-P118 HydrophobicContact CG2-CG 4.19Å; T108-P118 WeakPolarHBondContact OG1-CB 3.25Å; T108-Y120 HydrophobicContact CG2-CD1 3.95Å; T108-Y120 HydrophobicContact CG2-CE1 3.84Å
109L93.7Very high94.3Very high92 Ų9225.4 Ų25.448%0.48213%0.134SC..SBendtrans-46.2-42.7179-17765.6000112.6A37 H38A37-L109 VanDerWaalsContact CA-O 3.31Å; A37-L109 WeakPolarHBondContact CA-O 3.47Å; H38-L109 PolarHBondContact N-O 3.3Å
110L95.3Very high94.6Very high70 Ų7025.7 Ų25.737%0.36613%0.134SC..EExtended strand (participates in β ladder)trans-130.1123.9175.1-61.7177000109.5A37 T108 F112 A119A37-L110 HydrophobicContact CB-CD2 4.35Å; T108-L110 PolarHBondContact O-N 2.82Å; T108-L110 VanDerWaalsContact O-N 3.07Å; T108-L110 PolarHBondContact OG1-O 3.12Å; L110-F112 HydrophobicContact CB-CE2 4.23Å; L110-A119 HydrophobicContact CB-CB 3.94Å; L110-A119 WeakPolarHBondContact O-CB 3.41Å; L110-A119 PolarHBondContact O-N 3.41Å
111T95.4Very high94.9Very high1 Ų125.5 Ų25.51%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-130.8125.5179.2-48.60000109.4G36 T108 R115 P118G36-T111 PolarHBondContact N-O 2.93Å; G36-T111 PolarHBondContact O-N 2.89Å; T108-T111 PolarHBondContact N-OG1 3.16Å; T108-T111 PolarHBondContact O-OG1 2.96Å; T111-R115 HydrophobicContact CG2-CB 4.29Å; T111-P118 HydrophobicContact CG2-CG 4.49Å
112F95.6Very high95Very high43 Ų4323 Ų2319%0.18912%0.12CC..EExtended strand (participates in β ladder)trans-97.5164.9-172-69.6-99.7000112.2A34 C35 L110 R115 R116 I117 A119 L122 F123A34-F112 VanDerWaalsContact O-CA 3.28Å; A34-F112 WeakPolarHBondContact O-CA 3.3Å; A34-F112 WeakPolarHBondContact O-CB 3.32Å; A34-F112 WeakPolarHBondContact O-CD1 3.31Å; C35-F112 HydrophobicContact CB-CD1 4.23Å; C35-F112 HydrophobicContact CB-CE1 4.05Å; L110-F112 HydrophobicContact CB-CE2 4.23Å; F112-R115 PolarHBondContact O-N 3.15Å; F112-R116 PolarHBondContact O-N 2.85Å; F112-I117 PolarHBondContact N-O 3.38Å; F112-I117 PolarHBondContact O-N 2.9Å; F112-I117 VanDerWaalsContact O-N 3.12Å; F112-A119 HydrophobicContact CD2-CB 4.32Å; F112-A119 HydrophobicContact CE2-CB 3.82Å; F112-L122 HydrophobicContact CB-CD2 4.21Å; F112-L122 HydrophobicContact CD2-CD2 4.17Å; F112-L122 HydrophobicContact CG-CD2 4.08Å; F112-F123 HydrophobicContact CD2-CE2 4.4Å; F112-F123 HydrophobicContact CE1-CZ 4.45Å; F112-F123 AromaticContact CE2-CE2 3.67Å; F112-F123 HydrophobicContact CE2-CE2 3.67Å; F112-F123 HydrophobicContact CE2-CZ 4.17Å; F112-F123 AromaticContact CZ-CE2 3.82Å; F112-F123 HydrophobicContact CZ-CE2 3.82Å; F112-F123 HydrophobicContact CZ-CZ 4.06Å
113F94.1Very high95Very high38 Ų3825.4 Ų25.417%0.16713%0.13CC..THydrogen-bonded Turntrans56.266.6170.5-50.7-70.8000113.3W33 A34 I91 Y95 R115 R116 I117 L122W33-F113 AromaticContact CH2-CD1 3.66Å; W33-F113 HydrophobicContact CH2-CD1 3.66Å; W33-F113 HydrophobicContact CH2-CE1 4.29Å; W33-F113 HydrophobicContact CZ2-CB 4.38Å; W33-F113 AromaticContact CZ2-CD1 3.97Å; W33-F113 HydrophobicContact CZ2-CD1 3.97Å; W33-F113 HydrophobicContact CZ3-CD1 4.16Å; W33-F113 CarbonylContact O-C 3.37Å; W33-F113 WeakPolarHBondContact O-CA 3.41Å; W33-F113 PolarHBondContact O-N 3.33Å; A34-F113 PolarHBondContact O-N 2.99Å; I91-F113 HydrophobicContact CD1-CE1 4.05Å; I91-F113 HydrophobicContact CD1-CE2 3.9Å; I91-F113 HydrophobicContact CD1-CZ 3.49Å; I91-F113 VanDerWaalsContact CD1-CZ 3.49Å; I91-F113 HydrophobicContact CG1-CD2 4.34Å; I91-F113 HydrophobicContact CG1-CE1 4.45Å; I91-F113 HydrophobicContact CG1-CE2 3.84Å; I91-F113 HydrophobicContact CG1-CZ 3.91Å; Y95-F113 HydrophobicContact CE2-CB 3.79Å; Y95-F113 HydrophobicContact CE2-CG 4.34Å; Y95-F113 WeakPolarHBondContact OH-CB 3.25Å; Y95-F113 PolarHBondContact OH-O 3.46Å; F113-R115 VanDerWaalsContact C-N 3.28Å; F113-R115 PolarHBondContact O-N 3.15Å; F113-R116 VanDerWaalsContact O-CB 3.28Å; F113-R116 WeakPolarHBondContact O-CB 3.3Å; F113-R116 WeakPolarHBondContact O-CG 3.42Å; F113-R116 PolarHBondContact O-N 2.92Å; F113-I117 HydrophobicContact CD2-CB 4.46Å; F113-I117 HydrophobicContact CD2-CD1 3.76Å; F113-I117 HydrophobicContact CE2-CD1 4.44Å; F113-L122 HydrophobicContact CE2-CD1 4.16Å; F113-L122 HydrophobicContact CE2-CD2 3.75Å
114G91.4Very high95.1Very high30 Ų3024.6 Ų24.631%0.30913%0.125SC..THydrogen-bonded Turntrans63.136.3-17800000112W33 R116W33-G114 PolarHBondContact O-N 3.49Å; G114-R116 PolarHBondContact O-N 3.43Å
115R93.5Very high95.1Very high77 Ų7723.6 Ų23.629%0.29112%0.121SC..THydrogen-bonded Turntrans61.230.5-179.9-58.3-178.9-172.2-170.40.7113.9D32 Q107 T111 F112 F113 W396D32-R115 IonicContact OD1-CZ 3.27Å; D32-R115 IonicContact OD1-NE 3.39Å; D32-R115 IonicContact OD1-NH2 3.07Å; D32-R115 PolarHBondContact OD1-NH2 3.38Å; Q107-R115 PolarHBondContact NE2-O 2.99Å; T111-R115 HydrophobicContact CG2-CB 4.29Å; F112-R115 PolarHBondContact O-N 3.15Å; F113-R115 VanDerWaalsContact C-N 3.28Å; F113-R115 PolarHBondContact O-N 3.15Å; R115-W396 HydrophobicContact CB-CZ3 4.37Å
116R94.5Very high95.1Very high18 Ų1823 Ų237%0.06812%0.118CC..THydrogen-bonded Turntrans-89.7-36.4179.5-66.3-67.1-68.5142.2-7.2113.4V94 N101 C103 H105 F112 F113 G114 L324V94-R116 HydrophobicContact CG1-CB 4.34Å; V94-R116 HydrophobicContact CG1-CG 4.06Å; V94-R116 HydrophobicContact CG2-CB 4.44Å; N101-R116 PolarHBondContact OD1-NH2 3.25Å; C103-R116 PolarHBondContact O-NH1 3.42Å; C103-R116 PolarHBondContact O-NH2 3.47Å; H105-R116 PolarHBondContact CD2-O 2.84Å; F112-R116 PolarHBondContact O-N 2.85Å; F113-R116 VanDerWaalsContact O-CB 3.28Å; F113-R116 WeakPolarHBondContact O-CB 3.3Å; F113-R116 WeakPolarHBondContact O-CG 3.42Å; F113-R116 PolarHBondContact O-N 2.92Å; G114-R116 PolarHBondContact O-N 3.43Å; R116-L324 HydrophobicContact CG-CD2 4.35Å
117I96.5Very high95.2Very high0 Ų023 Ų230%012%0.118CC..EExtended strand (participates in β ladder)trans-129112-167.7-54.7160.5000110.5E90 V94 F112 F113 V121 L122E90-I117 HydrophobicContact CB-CD1 3.67Å; E90-I117 HydrophobicContact CB-CG1 4.23Å; E90-I117 HydrophobicContact CB-CG2 4.04Å; E90-I117 HydrophobicContact CG-CG2 4.16Å; V94-I117 HydrophobicContact CG2-CD1 4.08Å; V94-I117 HydrophobicContact CG2-CG1 4.25Å; F112-I117 PolarHBondContact N-O 3.38Å; F112-I117 PolarHBondContact O-N 2.9Å; F112-I117 VanDerWaalsContact O-N 3.12Å; F113-I117 HydrophobicContact CD2-CB 4.46Å; F113-I117 HydrophobicContact CD2-CD1 3.76Å; F113-I117 HydrophobicContact CE2-CD1 4.44Å; I117-V121 HydrophobicContact CG2-CB 4.27Å; I117-V121 HydrophobicContact CG2-CG1 4.13Å; I117-L122 HydrophobicContact CG2-CB 4Å; I117-L122 HydrophobicContact CG2-CD1 4.16Å
118P96.6Very high95.3Very high0 Ų022.5 Ų22.50%012%0.116CC..EExtended strand (participates in β ladder)trans-60.5147.9175.5-28.637.3000113H105 G106 T108 T111 Y120 V121 L122H105-P118 HydrophobicContact CB-CG 3.6Å; G106-P118 VanDerWaalsContact O-CG 3.32Å; G106-P118 WeakPolarHBondContact O-CG 3.28Å; T108-P118 HydrophobicContact CG2-CB 3.81Å; T108-P118 HydrophobicContact CG2-CG 4.19Å; T108-P118 WeakPolarHBondContact OG1-CB 3.25Å; T111-P118 HydrophobicContact CG2-CG 4.49Å; P118-Y120 VanDerWaalsContact C-N 3.29Å; P118-Y120 HydrophobicContact CB-CD1 3.63Å; P118-Y120 HydrophobicContact CB-CE1 3.64Å; P118-Y120 HydrophobicContact CG-CE1 4.16Å; P118-Y120 PolarHBondContact O-N 3.1Å; P118-V121 HydrophobicContact CB-CB 4.4Å; P118-V121 HydrophobicContact CB-CG2 3.99Å; P118-V121 HydrophobicContact CG-CG2 4.1Å; P118-V121 WeakPolarHBondContact O-CB 3.26Å; P118-V121 PolarHBondContact O-N 3.39Å; P118-V121 VanDerWaalsContact O-N 3.1Å; P118-L122 PolarHBondContact O-N 3.4Å
119A95.7Very high95.4Very high19 Ų1922.4 Ų22.416%0.15712%0.115CC..Hα-helixtrans-56-41.817900000113L110 F112 V121 L122 F123L110-A119 HydrophobicContact CB-CB 3.94Å; L110-A119 WeakPolarHBondContact O-CB 3.41Å; L110-A119 PolarHBondContact O-N 3.41Å; F112-A119 HydrophobicContact CD2-CB 4.32Å; F112-A119 HydrophobicContact CE2-CB 3.82Å; A119-V121 VanDerWaalsContact C-N 3.32Å; A119-V121 PolarHBondContact O-N 2.84Å; A119-L122 PolarHBondContact O-N 3.05Å; A119-F123 HydrophobicContact CB-CD2 4.16Å; A119-F123 HydrophobicContact CB-CE2 4.33Å; A119-F123 WeakPolarHBondContact O-CB 3.18Å; A119-F123 VanDerWaalsContact O-CD2 3.27Å; A119-F123 WeakPolarHBondContact O-CD2 3.17Å; A119-F123 PolarHBondContact O-N 2.95Å
120Y95.9Very high95.6Very high9 Ų918 Ų184%0.0359%0.092CC..Hα-helixtrans-67.4-33.7-179.186.5-86.3000112.1L50 A54 F57 T108 P118 C124 L125 Y162L50-Y120 HydrophobicContact CD1-CE1 3.76Å; A54-Y120 HydrophobicContact CB-CD1 3.83Å; A54-Y120 HydrophobicContact CB-CG 3.86Å; F57-Y120 HydrophobicContact CB-CD2 4.26Å; F57-Y120 HydrophobicContact CD2-CD2 4.07Å; F57-Y120 HydrophobicContact CD2-CE2 4.24Å; F57-Y120 HydrophobicContact CG-CD2 4.4Å; T108-Y120 HydrophobicContact CG2-CD1 3.95Å; T108-Y120 HydrophobicContact CG2-CE1 3.84Å; P118-Y120 VanDerWaalsContact C-N 3.29Å; P118-Y120 HydrophobicContact CB-CD1 3.63Å; P118-Y120 HydrophobicContact CB-CE1 3.64Å; P118-Y120 HydrophobicContact CG-CE1 4.16Å; P118-Y120 PolarHBondContact O-N 3.1Å; Y120-C124 WeakPolarHBondContact O-CA 3.34Å; Y120-C124 WeakPolarHBondContact O-CB 3.29Å; Y120-C124 PolarHBondContact O-N 2.92Å; Y120-L125 HydrophobicContact CD2-CD2 4.11Å; Y120-L125 HydrophobicContact CD2-CG 4.2Å; Y120-L125 HydrophobicContact CE2-CD1 4.27Å; Y120-L125 HydrophobicContact CE2-CD2 4.03Å; Y120-L125 HydrophobicContact CE2-CG 4.23Å; Y120-L125 PolarHBondContact O-N 2.99Å; Y120-L125 VanDerWaalsContact O-N 3.12Å; Y120-Y162 AromaticContact CE2-CE2 3.93Å; Y120-Y162 HydrophobicContact CE2-CE2 3.93Å; Y120-Y162 PolarHBondContact OH-OH 2.88Å
121V96.6Very high95.7Very high0 Ų014.7 Ų14.70%08%0.075CC..Iπ-helixtrans-64.9-50.8173.91760000109.5E90 I117 P118 A119 F123 L125E90-V121 HydrophobicContact CG-CG1 3.98Å; E90-V121 WeakPolarHBondContact OE1-CG1 3.27Å; I117-V121 HydrophobicContact CG2-CB 4.27Å; I117-V121 HydrophobicContact CG2-CG1 4.13Å; P118-V121 HydrophobicContact CB-CB 4.4Å; P118-V121 HydrophobicContact CB-CG2 3.99Å; P118-V121 HydrophobicContact CG-CG2 4.1Å; P118-V121 WeakPolarHBondContact O-CB 3.26Å; P118-V121 PolarHBondContact O-N 3.39Å; P118-V121 VanDerWaalsContact O-N 3.1Å; A119-V121 VanDerWaalsContact C-N 3.32Å; A119-V121 PolarHBondContact O-N 2.84Å; V121-F123 PolarHBondContact O-N 2.83Å; V121-L125 HydrophobicContact CB-CD1 4.04Å; V121-L125 HydrophobicContact CG1-CD1 3.95Å; V121-L125 HydrophobicContact CG2-CD1 3.92Å
122L94.4Very high95.7Very high3 Ų315.2 Ų15.22%0.0168%0.079CC..Iπ-helixtrans-64.6-41.7-174.7-168.363.5000112.6I87 E90 F112 F113 I117 P118 A119I87-L122 HydrophobicContact CB-CD1 4.18Å; I87-L122 HydrophobicContact CG1-CD1 3.84Å; I87-L122 HydrophobicContact CG1-CG 4.02Å; I87-L122 HydrophobicContact CG2-CD1 4.32Å; E90-L122 HydrophobicContact CB-CD1 4.4Å; F112-L122 HydrophobicContact CB-CD2 4.21Å; F112-L122 HydrophobicContact CD2-CD2 4.17Å; F112-L122 HydrophobicContact CG-CD2 4.08Å; F113-L122 HydrophobicContact CE2-CD1 4.16Å; F113-L122 HydrophobicContact CE2-CD2 3.75Å; I117-L122 HydrophobicContact CG2-CB 4Å; I117-L122 HydrophobicContact CG2-CD1 4.16Å; P118-L122 PolarHBondContact O-N 3.4Å; A119-L122 PolarHBondContact O-N 3.05Å
123F94.3Very high95.6Very high56 Ų5613.3 Ų13.325%0.2467%0.07CC..Iπ-helixtrans-107.9-30.4-168.4-57.9-43.2000114.4F61 F83 I87 F112 A119 V121 P127F61-F123 WeakPolarHBondContact CD2-O 3.32Å; F61-F123 WeakPolarHBondContact CE2-O 3.48Å; F83-F123 HydrophobicContact CD2-CB 4.49Å; F83-F123 HydrophobicContact CD2-CD1 4.43Å; F83-F123 HydrophobicContact CE1-CD1 4.49Å; F83-F123 HydrophobicContact CE2-CB 3.78Å; F83-F123 AromaticContact CE2-CD1 3.34Å; F83-F123 HydrophobicContact CE2-CD1 3.34Å; F83-F123 HydrophobicContact CE2-CE1 4.25Å; F83-F123 AromaticContact CE2-CG 3.9Å; F83-F123 HydrophobicContact CE2-CG 3.9Å; F83-F123 AromaticContact CZ-CD1 3.37Å; F83-F123 HydrophobicContact CZ-CD1 3.37Å; F83-F123 AromaticContact CZ-CE1 3.83Å; F83-F123 HydrophobicContact CZ-CE1 3.83Å; F83-F123 HydrophobicContact CZ-CG 4.29Å; I87-F123 HydrophobicContact CD1-CD1 4.39Å; I87-F123 HydrophobicContact CD1-CE1 4.16Å; F112-F123 HydrophobicContact CD2-CE2 4.4Å; F112-F123 HydrophobicContact CE1-CZ 4.45Å; F112-F123 AromaticContact CE2-CE2 3.67Å; F112-F123 HydrophobicContact CE2-CE2 3.67Å; F112-F123 HydrophobicContact CE2-CZ 4.17Å; F112-F123 AromaticContact CZ-CE2 3.82Å; F112-F123 HydrophobicContact CZ-CE2 3.82Å; F112-F123 HydrophobicContact CZ-CZ 4.06Å; A119-F123 HydrophobicContact CB-CD2 4.16Å; A119-F123 HydrophobicContact CB-CE2 4.33Å; A119-F123 WeakPolarHBondContact O-CB 3.18Å; A119-F123 VanDerWaalsContact O-CD2 3.27Å; A119-F123 WeakPolarHBondContact O-CD2 3.17Å; A119-F123 PolarHBondContact O-N 2.95Å; V121-F123 PolarHBondContact O-N 2.83Å; F123-P127 WeakPolarHBondContact O-CD 3.5Å; F123-P127 WeakPolarHBondContact O-CG 3.49Å
124C97.4Very high95.7Very high7 Ų711.8 Ų11.85%0.0476%0.064CC..Iπ-helixtrans-107.4-39.5-165.3-55.70000114.1F57 F61 Y120 Y126 T128F57-C124 HydrophobicContact CB-CB 3.87Å; F57-C124 WeakPolarHBondContact O-CB 3.33Å; F61-C124 HydrophobicContact CB-CB 3.86Å; F61-C124 HydrophobicContact CD2-CB 4.47Å; F61-C124 HydrophobicContact CG-CB 4.37Å; Y120-C124 WeakPolarHBondContact O-CA 3.34Å; Y120-C124 WeakPolarHBondContact O-CB 3.29Å; Y120-C124 PolarHBondContact O-N 2.92Å; C124-Y126 PolarHBondContact O-N 3.32Å; C124-T128 WeakPolarHBondContact O-CB 3.35Å; C124-T128 PolarHBondContact O-N 3.24Å; C124-T128 VanDerWaalsContact O-N 3.14Å; C124-T128 PolarHBondContact O-OG1 3.16Å
125L96.4Very high95.7Very high0 Ų010.5 Ų10.50%05%0.05CC..Iπ-helixtrans-59.9-48.9-173.8-70.9-175000112.8F57 Y120 V121 T128 F129 Y162F57-L125 HydrophobicContact CD1-CD2 3.5Å; F57-L125 VanDerWaalsContact CD1-CD2 3.5Å; F57-L125 HydrophobicContact CD2-CD2 3.66Å; F57-L125 HydrophobicContact CE1-CD2 3.29Å; F57-L125 HydrophobicContact CE2-CD2 3.5Å; F57-L125 HydrophobicContact CG-CD2 3.66Å; F57-L125 HydrophobicContact CZ-CD2 3.29Å; Y120-L125 HydrophobicContact CD2-CD2 4.11Å; Y120-L125 HydrophobicContact CD2-CG 4.2Å; Y120-L125 HydrophobicContact CE2-CD1 4.27Å; Y120-L125 HydrophobicContact CE2-CD2 4.03Å; Y120-L125 HydrophobicContact CE2-CG 4.23Å; Y120-L125 PolarHBondContact O-N 2.99Å; Y120-L125 VanDerWaalsContact O-N 3.12Å; V121-L125 HydrophobicContact CB-CD1 4.04Å; V121-L125 HydrophobicContact CG1-CD1 3.95Å; V121-L125 HydrophobicContact CG2-CD1 3.92Å; L125-T128 PolarHBondContact O-N 3.04Å; L125-F129 HydrophobicContact CB-CD2 4.46Å; L125-F129 HydrophobicContact CD2-CE2 4.04Å; L125-F129 WeakPolarHBondContact O-CD2 3.47Å; L125-F129 PolarHBondContact O-N 3.45Å; L125-Y162 HydrophobicContact CD1-CE1 3.93Å; L125-Y162 HydrophobicContact CD2-CD2 4.49Å; L125-Y162 HydrophobicContact CD2-CE2 4.15Å
126Y97.2Very high95.5Very high1 Ų17 Ų70%0.0044%0.037CC..Hα-helixtrans-71.1-46.1-171.6-64.9-79.3000113.6T82 F85 R89 E90 C124 T128 F129 V130T82-Y126 WeakPolarHBondContact O-CB 3.34Å; F85-Y126 AromaticContact CD1-CD1 3.76Å; F85-Y126 HydrophobicContact CD1-CD1 3.76Å; F85-Y126 HydrophobicContact CD1-CE1 4.48Å; F85-Y126 HydrophobicContact CD1-CG 4.28Å; F85-Y126 AromaticContact CE1-CD1 3.64Å; F85-Y126 HydrophobicContact CE1-CD1 3.64Å; F85-Y126 HydrophobicContact CE1-CE1 4.04Å; R89-Y126 VanDerWaalsContact CD-OH 3.3Å; R89-Y126 WeakPolarHBondContact CD-OH 3.37Å; R89-Y126 PolarHBondContact NE-OH 2.95Å; R89-Y126 PolarHBondContact NH1-OH 3.21Å; E90-Y126 HydrophobicContact CG-CE2 4.01Å; E90-Y126 WeakPolarHBondContact OE1-CE2 3.36Å; E90-Y126 VanDerWaalsContact OE1-CZ 3.31Å; E90-Y126 PolarHBondContact OE1-OH 3.08Å; C124-Y126 PolarHBondContact O-N 3.32Å; Y126-T128 VanDerWaalsContact C-N 3.26Å; Y126-T128 PolarHBondContact O-N 3.23Å; Y126-F129 PolarHBondContact O-N 3.22Å; Y126-V130 HydrophobicContact CD1-CG2 4.26Å; Y126-V130 WeakPolarHBondContact O-CA 3.3Å; Y126-V130 WeakPolarHBondContact O-CB 3.25Å; Y126-V130 WeakPolarHBondContact O-CG2 3.33Å; Y126-V130 PolarHBondContact O-N 3.05Å
127P97.1Very high95.3Very high0 Ų06.2 Ų6.20%03%0.034CC..Iπ-helixtrans-55.2-43.3167.2-28.537.6000112F61 W79 F83 F123 F129 Y131F61-P127 HydrophobicContact CD2-CB 4.07Å; F61-P127 HydrophobicContact CD2-CG 4.02Å; F61-P127 HydrophobicContact CE2-CG 4.15Å; W79-P127 HydrophobicContact CZ2-CB 4.4Å; F83-P127 HydrophobicContact CB-CG 4.03Å; F83-P127 HydrophobicContact CD2-CG 4.43Å; F123-P127 WeakPolarHBondContact O-CD 3.5Å; F123-P127 WeakPolarHBondContact O-CG 3.49Å; P127-F129 PolarHBondContact O-N 2.99Å; P127-Y131 WeakPolarHBondContact O-CB 3.49Å; P127-Y131 PolarHBondContact O-N 2.93Å
128T96.8Very high95Very high4 Ų411 Ų113%0.0256%0.055CC..Iπ-helixtrans-60.9-48.8-178.6-61.90000112.3F57 C60 C124 L125 Y126 S132F57-T128 HydrophobicContact CD1-CG2 4.12Å; F57-T128 HydrophobicContact CE1-CG2 4.07Å; C60-T128 HydrophobicContact CB-CG2 3.7Å; C124-T128 WeakPolarHBondContact O-CB 3.35Å; C124-T128 PolarHBondContact O-N 3.24Å; C124-T128 VanDerWaalsContact O-N 3.14Å; C124-T128 PolarHBondContact O-OG1 3.16Å; L125-T128 PolarHBondContact O-N 3.04Å; Y126-T128 VanDerWaalsContact C-N 3.26Å; Y126-T128 PolarHBondContact O-N 3.23Å; T128-S132 WeakPolarHBondContact O-CB 3.41Å; T128-S132 PolarHBondContact O-OG 3.23Å
129F96Very high94.4Very high3 Ų312.9 Ų12.91%0.0136%0.062CC..Iπ-helixtrans-85.1-47.5-176-65.5-56000114F57 L125 Y126 P127 S133 A158 R159F57-F129 HydrophobicContact CE1-CE1 4.45Å; F57-F129 AromaticContact CE1-CE2 3.81Å; F57-F129 HydrophobicContact CE1-CE2 3.81Å; F57-F129 AromaticContact CE1-CZ 3.71Å; F57-F129 HydrophobicContact CE1-CZ 3.71Å; F57-F129 AromaticContact CZ-CE2 3.95Å; F57-F129 HydrophobicContact CZ-CE2 3.95Å; F57-F129 AromaticContact CZ-CZ 3.69Å; F57-F129 HydrophobicContact CZ-CZ 3.69Å; L125-F129 HydrophobicContact CB-CD2 4.46Å; L125-F129 HydrophobicContact CD2-CE2 4.04Å; L125-F129 WeakPolarHBondContact O-CD2 3.47Å; L125-F129 PolarHBondContact O-N 3.45Å; Y126-F129 PolarHBondContact O-N 3.22Å; P127-F129 PolarHBondContact O-N 2.99Å; F129-S133 VanDerWaalsContact O-CB 3.28Å; F129-S133 WeakPolarHBondContact O-CB 3.47Å; F129-S133 PolarHBondContact O-N 3.4Å; F129-S133 PolarHBondContact O-OG 3.18Å; F129-A158 HydrophobicContact CD1-CB 3.82Å; F129-A158 HydrophobicContact CE1-CB 4.2Å; F129-A158 WeakPolarHBondContact CE1-O 3.47Å; F129-R159 HydrophobicContact CD1-CB 4.5Å; F129-R159 HydrophobicContact CD2-CB 4.24Å; F129-R159 HydrophobicContact CD2-CG 4.31Å; F129-R159 HydrophobicContact CE1-CB 4.39Å; F129-R159 HydrophobicContact CE2-CB 4.12Å; F129-R159 HydrophobicContact CE2-CG 3.98Å; F129-R159 HydrophobicContact CG-CB 4.41Å; F129-R159 HydrophobicContact CZ-CB 4.19Å; F129-R159 HydrophobicContact CZ-CG 4.36Å
130V97.4Very high93.8Very high0 Ų013.9 Ų13.90%07%0.065CC..Iπ-helixtrans-78.8-46.9-169.7-174.70000110.6T82 F85 Y126 S133 L134 V200 F203T82-V130 HydrophobicContact CG2-CB 4.07Å; T82-V130 HydrophobicContact CG2-CG1 3.85Å; F85-V130 HydrophobicContact CD1-CG2 4.43Å; F85-V130 HydrophobicContact CE1-CG2 4.22Å; Y126-V130 HydrophobicContact CD1-CG2 4.26Å; Y126-V130 WeakPolarHBondContact O-CA 3.3Å; Y126-V130 WeakPolarHBondContact O-CB 3.25Å; Y126-V130 WeakPolarHBondContact O-CG2 3.33Å; Y126-V130 PolarHBondContact O-N 3.05Å; V130-S133 PolarHBondContact O-N 3.28Å; V130-L134 HydrophobicContact CG1-CD1 4.27Å; V130-L134 WeakPolarHBondContact O-CB 3.48Å; V130-L134 WeakPolarHBondContact O-CG 3.48Å; V130-L134 PolarHBondContact O-N 3.1Å; V130-V200 HydrophobicContact CG1-CG1 4.24Å; V130-V200 HydrophobicContact CG2-CG2 4.03Å; V130-F203 HydrophobicContact CG1-CD1 4.08Å; V130-F203 HydrophobicContact CG1-CE1 3.92Å
131Y97.3Very high93.3Very high0 Ų016.8 Ų16.80%08%0.078CC..Iπ-helixtrans-65.8-44.2-179.9175.5-100.7000111.6T64 H67 A68 L78 W79 P127 S133 L134 V135 L296T64-Y131 HydrophobicContact CG2-CD1 4.32Å; H67-Y131 PolarHBondContact CE1-OH 3.28Å; H67-Y131 AromaticContact ND1-CE1 3.52Å; H67-Y131 AromaticContact ND1-CZ 3.58Å; H67-Y131 PolarHBondContact ND1-OH 2.76Å; A68-Y131 VanDerWaalsContact CA-OH 3.3Å; A68-Y131 WeakPolarHBondContact CA-OH 3.44Å; A68-Y131 WeakPolarHBondContact CB-OH 3.39Å; L78-Y131 HydrophobicContact CB-CE2 4.37Å; L78-Y131 HydrophobicContact CD2-CD2 4.36Å; L78-Y131 HydrophobicContact CD2-CE2 4.32Å; L78-Y131 HydrophobicContact CG-CD2 4.18Å; L78-Y131 HydrophobicContact CG-CE2 4.36Å; W79-Y131 HydrophobicContact CB-CD2 3.87Å; W79-Y131 HydrophobicContact CB-CE2 3.72Å; W79-Y131 HydrophobicContact CB-CG 4.48Å; W79-Y131 AromaticContact CD1-CD1 3.88Å; W79-Y131 AromaticContact CD1-CG 3.93Å; W79-Y131 HydrophobicContact CG-CD2 4.43Å; W79-Y131 HydrophobicContact CG-CE2 4.48Å; P127-Y131 WeakPolarHBondContact O-CB 3.49Å; P127-Y131 PolarHBondContact O-N 2.93Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 2.81Å; Y131-L134 WeakPolarHBondContact O-CB 3.49Å; Y131-L134 PolarHBondContact O-N 3.48Å; Y131-V135 HydrophobicContact CD1-CG2 4.28Å; Y131-V135 HydrophobicContact CD2-CG2 4.24Å; Y131-V135 HydrophobicContact CE1-CG2 3.91Å; Y131-V135 HydrophobicContact CE2-CG2 3.86Å; Y131-V135 HydrophobicContact CG-CG2 4.44Å; Y131-V135 WeakPolarHBondContact O-CG2 3.14Å; Y131-V135 PolarHBondContact O-N 3.45Å; Y131-L296 HydrophobicContact CD1-CD2 4.17Å; Y131-L296 HydrophobicContact CE1-CD2 4.06Å
132S94.6Very high92.8Very high12 Ų1218 Ų188%0.0848%0.084CC..Hα-helixtrans-58.8-45.5176.5-54.70000111.4T128 L134 V135 I136T128-S132 WeakPolarHBondContact O-CB 3.41Å; T128-S132 PolarHBondContact O-OG 3.23Å; S132-L134 PolarHBondContact O-N 3.25Å; S132-V135 PolarHBondContact O-N 2.68Å; S132-I136 WeakPolarHBondContact O-CB 3.41Å; S132-I136 WeakPolarHBondContact O-CD1 3.5Å; S132-I136 WeakPolarHBondContact O-CG1 3.24Å; S132-I136 PolarHBondContact O-N 3.38Å
133S94.9Very high92.4Very high2 Ų221.5 Ų21.51%0.01410%0.1CC..Hα-helixtrans-62.4-43177.7-60.90000112.3F129 V130 Y131 V137 S155F129-S133 VanDerWaalsContact O-CB 3.28Å; F129-S133 WeakPolarHBondContact O-CB 3.47Å; F129-S133 PolarHBondContact O-N 3.4Å; F129-S133 PolarHBondContact O-OG 3.18Å; V130-S133 PolarHBondContact O-N 3.28Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 2.81Å; S133-V137 VanDerWaalsContact O-CB 3.31Å; S133-V137 WeakPolarHBondContact O-CB 3.28Å; S133-V137 VanDerWaalsContact O-CG2 3.25Å; S133-V137 WeakPolarHBondContact O-CG2 3.44Å; S133-V137 PolarHBondContact O-N 3.33Å; S133-S155 VanDerWaalsContact OG-CA 3.24Å; S133-S155 WeakPolarHBondContact OG-CA 3.27Å; S133-S155 PolarHBondContact OG-N 2.9Å; S133-S155 VanDerWaalsContact OG-N 3.1Å
134L94.4Very high92Very high6 Ų619.7 Ų19.73%0.0319%0.094CC..Hα-helixtrans-57-53.5175.1-87168.2000112.3L78 T82 V130 Y131 S132 I136 K138 V151 F203 V204L78-L134 HydrophobicContact CD1-CD1 3.6Å; L78-L134 HydrophobicContact CD2-CB 4.24Å; L78-L134 HydrophobicContact CD2-CD1 4.03Å; L78-L134 HydrophobicContact CG-CD1 3.88Å; T82-L134 HydrophobicContact CG2-CD1 3.91Å; V130-L134 HydrophobicContact CG1-CD1 4.27Å; V130-L134 WeakPolarHBondContact O-CB 3.48Å; V130-L134 WeakPolarHBondContact O-CG 3.48Å; V130-L134 PolarHBondContact O-N 3.1Å; Y131-L134 WeakPolarHBondContact O-CB 3.49Å; Y131-L134 PolarHBondContact O-N 3.48Å; S132-L134 PolarHBondContact O-N 3.25Å; L134-I136 VanDerWaalsContact C-N 3.35Å; L134-I136 PolarHBondContact O-N 2.97Å; L134-K138 VanDerWaalsContact O-CB 3.28Å; L134-K138 WeakPolarHBondContact O-CB 3.47Å; L134-K138 PolarHBondContact O-N 3.49Å; L134-V151 HydrophobicContact CD2-CG1 3.89Å; L134-V151 HydrophobicContact CD2-CG2 4.06Å; L134-V151 HydrophobicContact CG-CG1 3.81Å; L134-F203 HydrophobicContact CD1-CE1 3.64Å; L134-F203 HydrophobicContact CD1-CZ 4.36Å; L134-V204 HydrophobicContact CD2-CG1 4.29Å; L134-V204 HydrophobicContact CD2-CG2 3.75Å
135V92.9Very high91.6Very high4 Ų421.7 Ų21.72%0.02411%0.107CC..Hα-helixtrans-62.7-44.5-176.5173.30000110.7Y75 Y131 S132 R139 L296Y75-V135 HydrophobicContact CD1-CG2 4.07Å; Y75-V135 HydrophobicContact CE1-CG1 4.24Å; Y75-V135 HydrophobicContact CE1-CG2 4Å; Y131-V135 HydrophobicContact CD1-CG2 4.28Å; Y131-V135 HydrophobicContact CD2-CG2 4.24Å; Y131-V135 HydrophobicContact CE1-CG2 3.91Å; Y131-V135 HydrophobicContact CE2-CG2 3.86Å; Y131-V135 HydrophobicContact CG-CG2 4.44Å; Y131-V135 WeakPolarHBondContact O-CG2 3.14Å; Y131-V135 PolarHBondContact O-N 3.45Å; S132-V135 PolarHBondContact O-N 2.68Å; V135-R139 WeakPolarHBondContact O-CG 3.26Å; V135-L296 HydrophobicContact CB-CD1 3.74Å; V135-L296 HydrophobicContact CG1-CD1 3.63Å; V135-L296 HydrophobicContact CG2-CD1 4.23Å
136I89.6Confident91.3Very high4 Ų421.7 Ų21.72%0.02111%0.107CC..Hα-helixtrans-65.2-49.9-178.4-67.4170.9000110.6S132 L134 K138 R139 Q425 W428S132-I136 WeakPolarHBondContact O-CB 3.41Å; S132-I136 WeakPolarHBondContact O-CD1 3.5Å; S132-I136 WeakPolarHBondContact O-CG1 3.24Å; S132-I136 PolarHBondContact O-N 3.38Å; L134-I136 VanDerWaalsContact C-N 3.35Å; L134-I136 PolarHBondContact O-N 2.97Å; I136-K138 VanDerWaalsContact C-N 3.31Å; I136-K138 PolarHBondContact O-N 3.34Å; I136-R139 WeakPolarHBondContact O-CB 3.4Å; I136-R139 PolarHBondContact O-N 3.11Å; I136-Q425 HydrophobicContact CD1-CB 4.33Å; I136-Q425 HydrophobicContact CD1-CG 3.86Å; I136-W428 HydrophobicContact CG2-CB 4.03Å; I136-W428 HydrophobicContact CG2-CD2 4.5Å; I136-W428 HydrophobicContact CG2-CE3 3.67Å
137V90.2Very high91.1Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-67.7-32.7-178.1172.40000111.7S133 R139 L140 L142 E147 L150 V151 C154S133-V137 VanDerWaalsContact O-CB 3.31Å; S133-V137 WeakPolarHBondContact O-CB 3.28Å; S133-V137 VanDerWaalsContact O-CG2 3.25Å; S133-V137 WeakPolarHBondContact O-CG2 3.44Å; S133-V137 PolarHBondContact O-N 3.33Å; V137-R139 PolarHBondContact O-N 2.67Å; V137-R139 VanDerWaalsContact O-N 3.08Å; V137-L140 VanDerWaalsContact O-CB 3.31Å; V137-L140 WeakPolarHBondContact O-CB 3.47Å; V137-L140 PolarHBondContact O-N 2.96Å; V137-L142 HydrophobicContact CG1-CD1 4.47Å; V137-E147 HydrophobicContact CG1-CG 4.1Å; V137-L150 HydrophobicContact CG1-CB 3.98Å; V137-L150 HydrophobicContact CG1-CD2 3.94Å; V137-L150 HydrophobicContact CG1-CG 4.02Å; V137-L150 HydrophobicContact CG2-CB 4.45Å; V137-L150 HydrophobicContact CG2-CD2 4.2Å; V137-L150 HydrophobicContact CG2-CG 3.85Å; V137-V151 HydrophobicContact CB-CG2 3.64Å; V137-V151 HydrophobicContact CG1-CG2 3.71Å; V137-V151 HydrophobicContact CG2-CG2 4.08Å; V137-C154 HydrophobicContact CG2-CB 4.39Å
138K88.6Confident90.9Very high101 Ų10122.3 Ų22.344%0.43911%0.111SC..Hα-helixtrans-57.2-29.5178-167.364.4178.4177.40112.8L134 I136 L140 K141 E147L134-K138 VanDerWaalsContact O-CB 3.28Å; L134-K138 WeakPolarHBondContact O-CB 3.47Å; L134-K138 PolarHBondContact O-N 3.49Å; I136-K138 VanDerWaalsContact C-N 3.31Å; I136-K138 PolarHBondContact O-N 3.34Å; K138-L140 PolarHBondContact O-N 3.36Å; K138-K141 PolarHBondContact O-N 3.48Å; K138-E147 VanDerWaalsContact CD-OE1 3.26Å; K138-E147 WeakPolarHBondContact CD-OE1 3.3Å; K138-E147 VanDerWaalsContact NZ-CD 3.28Å; K138-E147 IonicContact NZ-OE1 3.29Å; K138-E147 PolarHBondContact NZ-OE1 3.28Å; K138-E147 IonicContact NZ-OE2 3.06Å; K138-E147 PolarHBondContact NZ-OE2 2.72Å
139R84.8Confident90.8Very high39 Ų3924.2 Ų24.215%0.14712%0.119CC..THydrogen-bonded Turntrans-67.1-22178-62.2173.154.2149.7-0.5113.3V135 I136 V137 K141 V291 C293 W428 C429V135-R139 WeakPolarHBondContact O-CG 3.26Å; I136-R139 WeakPolarHBondContact O-CB 3.4Å; I136-R139 PolarHBondContact O-N 3.11Å; V137-R139 PolarHBondContact O-N 2.67Å; V137-R139 VanDerWaalsContact O-N 3.08Å; R139-K141 PolarHBondContact O-N 3.42Å; R139-V291 PolarHBondContact NH1-O 2.96Å; R139-C293 PolarHBondContact NH1-SG 3.01Å; R139-W428 PolarHBondContact NE-O 3.43Å; R139-W428 VanDerWaalsContact NE-O 3.08Å; R139-W428 PolarHBondContact NH2-O 3.05Å; R139-C429 VanDerWaalsContact CZ-CA 3.48Å; R139-C429 VanDerWaalsContact CZ-O 3.3Å; R139-C429 PolarHBondContact NH1-O 2.93Å; R139-C429 PolarHBondContact NH2-O 3.31Å
140L84.2Confident90.6Very high41 Ų4125 Ų2522%0.21512%0.123CC..THydrogen-bonded Turntrans-76.1-10.5178.6-59.2177000113.2V137 K138 L142 L150 W428V137-L140 VanDerWaalsContact O-CB 3.31Å; V137-L140 WeakPolarHBondContact O-CB 3.47Å; V137-L140 PolarHBondContact O-N 2.96Å; K138-L140 PolarHBondContact O-N 3.36Å; L140-L142 HydrophobicContact CB-CD1 4.28Å; L140-L142 HydrophobicContact CB-CD2 4.44Å; L140-L142 HydrophobicContact CB-CG 3.89Å; L140-L142 HydrophobicContact CD1-CD1 4.38Å; L140-L142 PolarHBondContact O-N 2.8Å; L140-L150 HydrophobicContact CD1-CD2 3.48Å; L140-L150 VanDerWaalsContact CD1-CD2 3.48Å; L140-W428 HydrophobicContact CD1-CD2 4.06Å; L140-W428 HydrophobicContact CD1-CE3 4.35Å; L140-W428 HydrophobicContact CD1-CH2 4.42Å; L140-W428 HydrophobicContact CD1-CZ2 4.17Å; L140-W428 HydrophobicContact CD2-CB 4.36Å; L140-W428 HydrophobicContact CD2-CD2 4.21Å; L140-W428 HydrophobicContact CD2-CG 3.83Å
141K83.6Confident90.5Very high70 Ų7025 Ų2530%0.30412%0.123SC..  trans48.442.6179.9-55-165.5-173.8-172.80113.4K138 R139 Q284K138-K141 PolarHBondContact O-N 3.48Å; R139-K141 PolarHBondContact O-N 3.42Å; K141-Q284 HydrophobicContact CB-CB 4.19Å; K141-Q284 PolarHBondContact O-N 2.73Å
142L86.1Confident90.5Very high25 Ų2525 Ų2513%0.13112%0.123CC..  trans-71.5156.1175.6-62.4177.2000110.6V137 L140 A146 E147 L150 R283V137-L142 HydrophobicContact CG1-CD1 4.47Å; L140-L142 HydrophobicContact CB-CD1 4.28Å; L140-L142 HydrophobicContact CB-CD2 4.44Å; L140-L142 HydrophobicContact CB-CG 3.89Å; L140-L142 HydrophobicContact CD1-CD1 4.38Å; L140-L142 PolarHBondContact O-N 2.8Å; L142-A146 HydrophobicContact CB-CB 4.25Å; L142-A146 HydrophobicContact CD1-CB 4.49Å; L142-E147 HydrophobicContact CB-CB 4.39Å; L142-L150 HydrophobicContact CD1-CB 4.27Å; L142-L150 HydrophobicContact CD1-CD2 3.46Å; L142-L150 VanDerWaalsContact CD1-CD2 3.46Å; L142-R283 HydrophobicContact CD2-CB 4.1Å
143H86.7Confident90.5Very high76 Ų7626.4 Ų26.435%0.35213%0.131SC..  trans-63.2146.9168.1-173-117.6000110.5P145 A146 E147 F278H143-P145 VanDerWaalsContact CE1-CD 3.43Å; H143-P145 WeakPolarHBondContact CE1-CD 3.46Å; H143-P145 WeakPolarHBondContact ND1-CD 3.18Å; H143-A146 WeakPolarHBondContact O-CB 3.16Å; H143-A146 PolarHBondContact O-N 3.4Å; H143-E147 PolarHBondContact O-N 3.47Å; H143-F278 AromaticContact ND1-CE1 3.77Å
144S85.5Confident90.4Very high19 Ų1927.5 Ų27.513%0.13314%0.138CC..Hα-helixtrans-53.8-43-165.7-62.90000115.9A146 E147 C148 R212S144-A146 PolarHBondContact O-N 3.22Å; S144-E147 WeakPolarHBondContact O-CB 3.46Å; S144-E147 PolarHBondContact O-N 2.89Å; S144-C148 PolarHBondContact O-N 2.93Å; S144-C148 PolarHBondContact O-SG 3.47Å; S144-R212 VanDerWaalsContact CB-NH2 3.28Å; S144-R212 PolarHBondContact OG-NH2 3.07Å
145P89.3Confident90.4Very high49 Ų4927.2 Ų27.232%0.31814%0.137SC..Hα-helixtrans-60.9-42.6175.8-22.334.9000112.7H143 E147 C148 F149 L275H143-P145 VanDerWaalsContact CE1-CD 3.43Å; H143-P145 WeakPolarHBondContact CE1-CD 3.46Å; H143-P145 WeakPolarHBondContact ND1-CD 3.18Å; P145-E147 VanDerWaalsContact C-N 3.34Å; P145-C148 PolarHBondContact O-N 3.46Å; P145-F149 VanDerWaalsContact O-CD2 3.29Å; P145-F149 WeakPolarHBondContact O-CD2 3.2Å; P145-F149 PolarHBondContact O-N 3.19Å; P145-L275 HydrophobicContact CB-CD2 4.27Å
146A91.1Very high90.5Very high0 Ų027.6 Ų27.60%014%0.139CC..Hα-helixtrans-67.8-36.3176.900000111.9L142 H143 S144 F149 L150 L275 G279L142-A146 HydrophobicContact CB-CB 4.25Å; L142-A146 HydrophobicContact CD1-CB 4.49Å; H143-A146 WeakPolarHBondContact O-CB 3.16Å; H143-A146 PolarHBondContact O-N 3.4Å; S144-A146 PolarHBondContact O-N 3.22Å; A146-F149 PolarHBondContact O-N 2.96Å; A146-L150 WeakPolarHBondContact O-CB 3.4Å; A146-L150 PolarHBondContact O-N 3.4Å; A146-L275 WeakPolarHBondContact CB-O 3.26Å; A146-G279 VanDerWaalsContact CB-CA 3.41Å
147E91.6Very high90.7Very high6 Ų629.6 Ų29.63%0.02815%0.151CC..Hα-helixtrans-58.6-48.8172.5-169.1-177.7134.700110.8V137 K138 L142 H143 S144 P145 F149 L150 V151 H208V137-E147 HydrophobicContact CG1-CG 4.1Å; K138-E147 VanDerWaalsContact CD-OE1 3.26Å; K138-E147 WeakPolarHBondContact CD-OE1 3.3Å; K138-E147 VanDerWaalsContact NZ-CD 3.28Å; K138-E147 IonicContact NZ-OE1 3.29Å; K138-E147 PolarHBondContact NZ-OE1 3.28Å; K138-E147 IonicContact NZ-OE2 3.06Å; K138-E147 PolarHBondContact NZ-OE2 2.72Å; L142-E147 HydrophobicContact CB-CB 4.39Å; H143-E147 PolarHBondContact O-N 3.47Å; S144-E147 WeakPolarHBondContact O-CB 3.46Å; S144-E147 PolarHBondContact O-N 2.89Å; P145-E147 VanDerWaalsContact C-N 3.34Å; E147-F149 VanDerWaalsContact C-N 3.35Å; E147-F149 PolarHBondContact O-N 3.44Å; E147-L150 PolarHBondContact O-N 3.34Å; E147-V151 HydrophobicContact CG-CG2 4.4Å; E147-V151 WeakPolarHBondContact O-CB 3.42Å; E147-V151 WeakPolarHBondContact O-CG2 3.3Å; E147-V151 PolarHBondContact O-N 2.96Å; E147-H208 IonicContact OE1-CE1 2.76Å; E147-H208 PolarHBondContact OE1-CE1 2.78Å; E147-H208 IonicContact OE1-NE2 3.88Å; E147-H208 PolarHBondContact OE1-NE2 3.42Å; E147-H208 IonicContact OE2-CE1 3.36Å; E147-H208 IonicContact OE2-NE2 3.62Å
148C94.5Very high90.8Very high7 Ų729.7 Ų29.75%0.04715%0.153CC..Hα-helixtrans-55.3-49179.5-61.90000112.4S144 P145 A152 V204 A205S144-C148 PolarHBondContact O-N 2.93Å; S144-C148 PolarHBondContact O-SG 3.47Å; P145-C148 PolarHBondContact O-N 3.46Å; C148-A152 WeakPolarHBondContact O-CB 3.28Å; C148-A152 PolarHBondContact O-N 3.01Å; C148-A152 VanDerWaalsContact O-N 3.16Å; C148-V204 HydrophobicContact CB-CB 4.14Å; C148-V204 HydrophobicContact CB-CG1 4.22Å; C148-A205 PolarHBondContact SG-N 3.48Å
149F93.6Very high91.1Very high44 Ų4425.5 Ų25.519%0.19313%0.134CC..Hα-helixtrans-72.8-39.5-176.3-80.5-106.2000111.5P145 A146 E147 A152 V153 F197 V271 L275P145-F149 VanDerWaalsContact O-CD2 3.29Å; P145-F149 WeakPolarHBondContact O-CD2 3.2Å; P145-F149 PolarHBondContact O-N 3.19Å; A146-F149 PolarHBondContact O-N 2.96Å; E147-F149 VanDerWaalsContact C-N 3.35Å; E147-F149 PolarHBondContact O-N 3.44Å; F149-A152 PolarHBondContact O-N 3.22Å; F149-V153 WeakPolarHBondContact O-CG2 3.31Å; F149-V153 PolarHBondContact O-N 3Å; F149-F197 HydrophobicContact CB-CZ 4.31Å; F149-F197 AromaticContact CD1-CE1 3.81Å; F149-F197 HydrophobicContact CD1-CE1 3.81Å; F149-F197 AromaticContact CD1-CZ 3.48Å; F149-F197 HydrophobicContact CD1-CZ 3.48Å; F149-F197 VanDerWaalsContact CD1-CZ 3.48Å; F149-F197 AromaticContact CE1-CE1 3.87Å; F149-F197 HydrophobicContact CE1-CE1 3.87Å; F149-F197 HydrophobicContact CE1-CZ 4.05Å; F149-F197 HydrophobicContact CG-CZ 4.17Å; F149-V271 HydrophobicContact CD1-CG1 4.16Å; F149-V271 HydrophobicContact CE1-CB 4.18Å; F149-V271 HydrophobicContact CE1-CG1 3.36Å; F149-V271 HydrophobicContact CE2-CG1 4.44Å; F149-V271 HydrophobicContact CZ-CG1 3.51Å; F149-L275 HydrophobicContact CD1-CD1 4.08Å; F149-L275 HydrophobicContact CD2-CD1 3.35Å; F149-L275 HydrophobicContact CE1-CD1 4.1Å; F149-L275 HydrophobicContact CE2-CD1 3.29Å; F149-L275 HydrophobicContact CG-CD1 3.77Å; F149-L275 HydrophobicContact CZ-CD1 3.71Å
150L92.4Very high91.6Very high20 Ų2025.3 Ų25.311%0.10514%0.135CC..Hα-helixtrans-67.3-39.5177.8-172.557000112.1V137 L140 L142 A146 E147 A152 V153 C154 L276 W428V137-L150 HydrophobicContact CG1-CB 3.98Å; V137-L150 HydrophobicContact CG1-CD2 3.94Å; V137-L150 HydrophobicContact CG1-CG 4.02Å; V137-L150 HydrophobicContact CG2-CB 4.45Å; V137-L150 HydrophobicContact CG2-CD2 4.2Å; V137-L150 HydrophobicContact CG2-CG 3.85Å; L140-L150 HydrophobicContact CD1-CD2 3.48Å; L140-L150 VanDerWaalsContact CD1-CD2 3.48Å; L142-L150 HydrophobicContact CD1-CB 4.27Å; L142-L150 HydrophobicContact CD1-CD2 3.46Å; L142-L150 VanDerWaalsContact CD1-CD2 3.46Å; A146-L150 WeakPolarHBondContact O-CB 3.4Å; A146-L150 PolarHBondContact O-N 3.4Å; E147-L150 PolarHBondContact O-N 3.34Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 2.92Å; L150-V153 PolarHBondContact O-N 3.42Å; L150-C154 WeakPolarHBondContact O-CB 3.36Å; L150-C154 PolarHBondContact O-N 3.12Å; L150-C154 PolarHBondContact O-SG 2.87Å; L150-L276 HydrophobicContact CB-CD2 3.75Å; L150-L276 HydrophobicContact CD1-CD2 3.94Å; L150-L276 HydrophobicContact CD2-CD2 4.49Å; L150-L276 HydrophobicContact CG-CD2 4.26Å; L150-W428 HydrophobicContact CD1-CH2 4.37Å; L150-W428 HydrophobicContact CD2-CH2 4.45Å
151V95.4Very high92.1Very high0 Ų023.4 Ų23.40%013%0.126CC..Hα-helixtrans-58.9-44.4173.2172.80000110.7L134 V137 E147 C154 S155 V200 V204L134-V151 HydrophobicContact CD2-CG1 3.89Å; L134-V151 HydrophobicContact CD2-CG2 4.06Å; L134-V151 HydrophobicContact CG-CG1 3.81Å; V137-V151 HydrophobicContact CB-CG2 3.64Å; V137-V151 HydrophobicContact CG1-CG2 3.71Å; V137-V151 HydrophobicContact CG2-CG2 4.08Å; E147-V151 HydrophobicContact CG-CG2 4.4Å; E147-V151 WeakPolarHBondContact O-CB 3.42Å; E147-V151 WeakPolarHBondContact O-CG2 3.3Å; E147-V151 PolarHBondContact O-N 2.96Å; V151-C154 PolarHBondContact O-N 3.44Å; V151-S155 WeakPolarHBondContact O-CB 3.46Å; V151-S155 PolarHBondContact O-N 3.34Å; V151-V200 HydrophobicContact CG1-CG1 3.9Å; V151-V204 HydrophobicContact CB-CG2 4.05Å; V151-V204 HydrophobicContact CG1-CG2 3.76Å; V151-V204 HydrophobicContact CG2-CG2 4.49Å
152A96.6Very high92.7Very high0 Ų020.1 Ų20.10%011%0.111CC..Hα-helixtrans-63.6-44.3176.700000112C148 F149 L150 S155 T156 F197 V200 A201C148-A152 WeakPolarHBondContact O-CB 3.28Å; C148-A152 PolarHBondContact O-N 3.01Å; C148-A152 VanDerWaalsContact O-N 3.16Å; F149-A152 PolarHBondContact O-N 3.22Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 2.92Å; A152-S155 PolarHBondContact O-N 2.92Å; A152-T156 VanDerWaalsContact O-CB 3.25Å; A152-T156 WeakPolarHBondContact O-CB 3.32Å; A152-T156 PolarHBondContact O-N 2.93Å; A152-T156 PolarHBondContact O-OG1 3.39Å; A152-F197 HydrophobicContact CB-CD1 4.46Å; A152-F197 HydrophobicContact CB-CD2 3.53Å; A152-F197 HydrophobicContact CB-CE1 4.34Å; A152-F197 HydrophobicContact CB-CE2 3.38Å; A152-F197 HydrophobicContact CB-CG 4.05Å; A152-F197 HydrophobicContact CB-CZ 3.78Å; A152-F197 WeakPolarHBondContact CB-O 3.44Å; A152-V200 HydrophobicContact CB-CB 4.06Å; A152-V200 HydrophobicContact CB-CG1 4.03Å; A152-A201 HydrophobicContact CB-CB 3.91Å
153V93.6Very high93.2Very high42 Ų4219.2 Ų19.226%0.25511%0.106SC..Hα-helixtrans-58.2-52.5174.8172.30000110.2F149 L150 S155 T156 V157 F197F149-V153 WeakPolarHBondContact O-CG2 3.31Å; F149-V153 PolarHBondContact O-N 3Å; L150-V153 PolarHBondContact O-N 3.42Å; V153-S155 VanDerWaalsContact C-N 3.33Å; V153-S155 PolarHBondContact O-N 3.23Å; V153-T156 PolarHBondContact O-N 2.91Å; V153-V157 HydrophobicContact CG1-CG2 4.02Å; V153-V157 WeakPolarHBondContact O-CB 3.32Å; V153-V157 VanDerWaalsContact O-CG2 3.28Å; V153-V157 WeakPolarHBondContact O-CG2 3.24Å; V153-V157 PolarHBondContact O-N 3.16Å; V153-F197 HydrophobicContact CB-CE2 4.37Å; V153-F197 HydrophobicContact CG2-CD2 4.39Å; V153-F197 HydrophobicContact CG2-CE2 3.59Å; V153-F197 HydrophobicContact CG2-CZ 4.46Å
154C92.9Very high93.6Very high24 Ų2415.6 Ų15.616%0.1629%0.09CC..Hα-helixtrans-59.1-44.8-178.3-69.80000111.8V137 L150 V151 A158V137-C154 HydrophobicContact CG2-CB 4.39Å; L150-C154 WeakPolarHBondContact O-CB 3.36Å; L150-C154 PolarHBondContact O-N 3.12Å; L150-C154 PolarHBondContact O-SG 2.87Å; V151-C154 PolarHBondContact O-N 3.44Å; C154-A158 WeakPolarHBondContact O-CB 3.28Å; C154-A158 PolarHBondContact O-N 3.01Å
155S95.8Very high94.1Very high0 Ų014.7 Ų14.70%08%0.084CC..Hα-helixtrans-65.4-42179.1-177.90000111.8S133 V151 A152 V153 R159 H196S133-S155 VanDerWaalsContact OG-CA 3.24Å; S133-S155 WeakPolarHBondContact OG-CA 3.27Å; S133-S155 PolarHBondContact OG-N 2.9Å; S133-S155 VanDerWaalsContact OG-N 3.1Å; V151-S155 WeakPolarHBondContact O-CB 3.46Å; V151-S155 PolarHBondContact O-N 3.34Å; A152-S155 PolarHBondContact O-N 2.92Å; V153-S155 VanDerWaalsContact C-N 3.33Å; V153-S155 PolarHBondContact O-N 3.23Å; S155-R159 WeakPolarHBondContact O-CB 3.42Å; S155-R159 PolarHBondContact O-N 3.24Å; S155-H196 PolarHBondContact OG-NE2 3.38Å
156T95.2Very high94.4Very high12 Ų1212.4 Ų12.47%0.0747%0.068CC..Hα-helixtrans-66.7-49.2179.1-64.40000111.5A152 V153 A158 R159 I160 V193 H196 F197A152-T156 VanDerWaalsContact O-CB 3.25Å; A152-T156 WeakPolarHBondContact O-CB 3.32Å; A152-T156 PolarHBondContact O-N 2.93Å; A152-T156 PolarHBondContact O-OG1 3.39Å; V153-T156 PolarHBondContact O-N 2.91Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.4Å; T156-R159 WeakPolarHBondContact O-CB 3.23Å; T156-R159 PolarHBondContact O-N 3.21Å; T156-R159 VanDerWaalsContact O-N 3.08Å; T156-I160 WeakPolarHBondContact O-CG1 3.25Å; T156-I160 PolarHBondContact O-N 3.34Å; T156-V193 HydrophobicContact CG2-CB 4.43Å; T156-V193 HydrophobicContact CG2-CG1 3.25Å; T156-H196 PolarHBondContact OG1-CD2 2.96Å; T156-F197 WeakPolarHBondContact OG1-CA 3.4Å
157V93.1Very high94.6Very high46 Ų4612.5 Ų12.528%0.2797%0.069SC..Hα-helixtrans-64.4-40.6-179.5179.70000110.9V153 R159 I160 P161 V417 V421V153-V157 HydrophobicContact CG1-CG2 4.02Å; V153-V157 WeakPolarHBondContact O-CB 3.32Å; V153-V157 VanDerWaalsContact O-CG2 3.28Å; V153-V157 WeakPolarHBondContact O-CG2 3.24Å; V153-V157 PolarHBondContact O-N 3.16Å; V157-R159 PolarHBondContact O-N 3.12Å; V157-I160 PolarHBondContact O-N 2.99Å; V157-P161 WeakPolarHBondContact O-CD 3.3Å; V157-V417 HydrophobicContact CG1-CG1 4.14Å; V157-V421 HydrophobicContact CB-CG2 4.34Å; V157-V421 HydrophobicContact CG1-CG2 3.39Å
158A93Very high94.8Very high3 Ų313.5 Ų13.53%0.0257%0.073CC..Hα-helixtrans-58.8-29.8174.900000112.9F129 C154 T156 W300F129-A158 HydrophobicContact CD1-CB 3.82Å; F129-A158 HydrophobicContact CE1-CB 4.2Å; F129-A158 WeakPolarHBondContact CE1-O 3.47Å; C154-A158 WeakPolarHBondContact O-CB 3.28Å; C154-A158 PolarHBondContact O-N 3.01Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.4Å; A158-W300 HydrophobicContact CB-CE3 4.5Å; A158-W300 HydrophobicContact CB-CH2 3.99Å; A158-W300 HydrophobicContact CB-CZ3 3.58Å
159R94.5Very high94.9Very high12 Ų1213.2 Ų13.25%0.0457%0.071CC..Hα-helixtrans-84.3-22.5-178.8-176.6173.8170.8107.37.2113.7F129 S155 T156 V157 Y162 E163F129-R159 HydrophobicContact CD1-CB 4.5Å; F129-R159 HydrophobicContact CD2-CB 4.24Å; F129-R159 HydrophobicContact CD2-CG 4.31Å; F129-R159 HydrophobicContact CE1-CB 4.39Å; F129-R159 HydrophobicContact CE2-CB 4.12Å; F129-R159 HydrophobicContact CE2-CG 3.98Å; F129-R159 HydrophobicContact CG-CB 4.41Å; F129-R159 HydrophobicContact CZ-CB 4.19Å; F129-R159 HydrophobicContact CZ-CG 4.36Å; S155-R159 WeakPolarHBondContact O-CB 3.42Å; S155-R159 PolarHBondContact O-N 3.24Å; T156-R159 WeakPolarHBondContact O-CB 3.23Å; T156-R159 PolarHBondContact O-N 3.21Å; T156-R159 VanDerWaalsContact O-N 3.08Å; V157-R159 PolarHBondContact O-N 3.12Å; R159-Y162 HydrophobicContact CG-CD1 4.25Å; R159-Y162 WeakPolarHBondContact O-CB 3.44Å; R159-Y162 PolarHBondContact O-N 2.75Å; R159-Y162 VanDerWaalsContact O-N 3.14Å; R159-E163 HydrophobicContact CG-CG 3.9Å; R159-E163 IonicContact CZ-OE1 3.54Å; R159-E163 IonicContact NE-OE1 3.89Å; R159-E163 PolarHBondContact NE-OE1 3.18Å; R159-E163 IonicContact NH2-OE1 2.85Å; R159-E163 PolarHBondContact NH2-OE1 3.5Å; R159-E163 PolarHBondContact O-N 2.8Å
160I94.4Very high95Very high35 Ų3511.1 Ų11.118%0.1796%0.062CC..Hα-helixtrans-53.5-47.8-175.8-72.3171.2000113.2T156 V157 Y162 E163 I164T156-I160 WeakPolarHBondContact O-CG1 3.25Å; T156-I160 PolarHBondContact O-N 3.34Å; V157-I160 PolarHBondContact O-N 2.99Å; I160-Y162 VanDerWaalsContact C-N 3.29Å; I160-Y162 PolarHBondContact O-N 2.99Å; I160-E163 WeakPolarHBondContact O-CB 3.5Å; I160-E163 PolarHBondContact O-N 2.65Å; I160-I164 HydrophobicContact CG2-CD1 3.59Å; I160-I164 HydrophobicContact CG2-CG1 4.18Å; I160-I164 WeakPolarHBondContact O-CG1 3.35Å; I160-I164 PolarHBondContact O-N 2.91Å
161P95.1Very high95.2Very high2 Ų210.2 Ų10.21%0.0136%0.057CC..Hα-helixtrans-59.2-39.5179.4-28.537.7000114.1V157 E163 L165 L307 L414 V417 M418V157-P161 WeakPolarHBondContact O-CD 3.3Å; P161-E163 VanDerWaalsContact C-N 3.34Å; P161-L165 WeakPolarHBondContact O-CB 3.41Å; P161-L165 WeakPolarHBondContact O-CG 3.31Å; P161-L165 PolarHBondContact O-N 3.33Å; P161-L165 VanDerWaalsContact O-N 3.11Å; P161-L307 HydrophobicContact CB-CD1 4.06Å; P161-L414 HydrophobicContact CB-CD2 3.83Å; P161-L414 HydrophobicContact CG-CD2 4.45Å; P161-V417 HydrophobicContact CG-CG1 4.08Å; P161-M418 HydrophobicContact CB-CE 3.39Å; P161-M418 HydrophobicContact CG-CE 3.93Å; P161-M418 HydrophobicContact CG-CG 4.02Å
162Y95.9Very high95.3Very high0 Ų010.3 Ų10.30%06%0.058CC..Hα-helixtrans-63.4-40.9174.1163.4-94.8000111.2F57 Y120 L125 R159 I160 G166 W171 F172F57-Y162 AromaticContact CE2-CD2 3.58Å; F57-Y162 HydrophobicContact CE2-CD2 3.58Å; F57-Y162 AromaticContact CE2-CE2 3.93Å; F57-Y162 HydrophobicContact CE2-CE2 3.93Å; F57-Y162 HydrophobicContact CE2-CG 4.41Å; F57-Y162 AromaticContact CZ-CD2 3.86Å; F57-Y162 HydrophobicContact CZ-CD2 3.86Å; F57-Y162 HydrophobicContact CZ-CE2 4.45Å; F57-Y162 HydrophobicContact CZ-CG 4.25Å; Y120-Y162 AromaticContact CE2-CE2 3.93Å; Y120-Y162 HydrophobicContact CE2-CE2 3.93Å; Y120-Y162 PolarHBondContact OH-OH 2.88Å; L125-Y162 HydrophobicContact CD1-CE1 3.93Å; L125-Y162 HydrophobicContact CD2-CD2 4.49Å; L125-Y162 HydrophobicContact CD2-CE2 4.15Å; R159-Y162 HydrophobicContact CG-CD1 4.25Å; R159-Y162 WeakPolarHBondContact O-CB 3.44Å; R159-Y162 PolarHBondContact O-N 2.75Å; R159-Y162 VanDerWaalsContact O-N 3.14Å; I160-Y162 VanDerWaalsContact C-N 3.29Å; I160-Y162 PolarHBondContact O-N 2.99Å; Y162-G166 WeakPolarHBondContact O-CA 3.48Å; Y162-G166 PolarHBondContact O-N 3.38Å; Y162-W171 AromaticContact CD2-CE3 3.8Å; Y162-W171 HydrophobicContact CD2-CE3 3.8Å; Y162-W171 AromaticContact CD2-CZ3 3.53Å; Y162-W171 HydrophobicContact CD2-CZ3 3.53Å; Y162-W171 AromaticContact CE2-CE3 3.59Å; Y162-W171 HydrophobicContact CE2-CE3 3.59Å; Y162-W171 AromaticContact CE2-CZ3 3.81Å; Y162-W171 HydrophobicContact CE2-CZ3 3.81Å; Y162-W171 HydrophobicContact CG-CZ3 4.48Å; Y162-F172 AromaticContact CE1-CE1 3.79Å; Y162-F172 HydrophobicContact CE1-CE1 3.79Å; Y162-F172 HydrophobicContact CE1-CZ 4.29Å; Y162-F172 HydrophobicContact CE2-CE1 4.49Å; Y162-F172 AromaticContact CZ-CE1 3.7Å
163E96.3Very high95.3Very high6 Ų610.7 Ų10.73%0.0286%0.061CC..Hα-helixtrans-65.4-44.3179.9-69.6-72.9-178.800112.6R159 I160 P161 T167 F172 V188R159-E163 HydrophobicContact CG-CG 3.9Å; R159-E163 IonicContact CZ-OE1 3.54Å; R159-E163 IonicContact NE-OE1 3.89Å; R159-E163 PolarHBondContact NE-OE1 3.18Å; R159-E163 IonicContact NH2-OE1 2.85Å; R159-E163 PolarHBondContact NH2-OE1 3.5Å; R159-E163 PolarHBondContact O-N 2.8Å; I160-E163 WeakPolarHBondContact O-CB 3.5Å; I160-E163 PolarHBondContact O-N 2.65Å; P161-E163 VanDerWaalsContact C-N 3.34Å; E163-T167 WeakPolarHBondContact O-CB 3.21Å; E163-T167 PolarHBondContact O-N 3.49Å; E163-T167 PolarHBondContact O-OG1 3.04Å; E163-F172 WeakPolarHBondContact OE2-CE2 3.25Å; E163-F172 VanDerWaalsContact OE2-CZ 3.24Å; E163-F172 WeakPolarHBondContact OE2-CZ 3.34Å; E163-V188 VanDerWaalsContact C-CG2 3.45Å; E163-V188 HydrophobicContact CB-CB 4.49Å; E163-V188 HydrophobicContact CB-CG1 3.79Å; E163-V188 HydrophobicContact CB-CG2 3.84Å; E163-V188 HydrophobicContact CG-CG1 4.46Å; E163-V188 WeakPolarHBondContact O-CG2 3.33Å
164I95.3Very high95.4Very high1 Ų110 Ų101%0.0055%0.053CC..Hα-helixtrans-65.2-51.3-179.3-62.8168.8000110.1I160 T167 K168 F185 V188 L410 L414I160-I164 HydrophobicContact CG2-CD1 3.59Å; I160-I164 HydrophobicContact CG2-CG1 4.18Å; I160-I164 WeakPolarHBondContact O-CG1 3.35Å; I160-I164 PolarHBondContact O-N 2.91Å; I164-T167 PolarHBondContact O-N 3.39Å; I164-K168 PolarHBondContact O-N 3.07Å; I164-K168 VanDerWaalsContact O-N 3.08Å; I164-F185 HydrophobicContact CD1-CE1 4.46Å; I164-V188 VanDerWaalsContact CA-CG2 3.47Å; I164-V188 HydrophobicContact CB-CG2 4.14Å; I164-V188 HydrophobicContact CG1-CG2 3.64Å; I164-L410 HydrophobicContact CG2-CD1 3.4Å; I164-L414 HydrophobicContact CB-CD2 4.47Å; I164-L414 HydrophobicContact CD1-CD2 4.22Å
165L95.8Very high95.5Very high0 Ų09.3 Ų9.30%05%0.048CC..Hα-helixtrans-65-41.2178.7-71.5171.2000111.6P161 T167 K168 L169 W171 L307 A311 L414P161-L165 WeakPolarHBondContact O-CB 3.41Å; P161-L165 WeakPolarHBondContact O-CG 3.31Å; P161-L165 PolarHBondContact O-N 3.33Å; P161-L165 VanDerWaalsContact O-N 3.11Å; L165-T167 VanDerWaalsContact C-N 3.33Å; L165-T167 PolarHBondContact O-N 3.29Å; L165-K168 PolarHBondContact O-N 3.4Å; L165-L169 HydrophobicContact CD2-CD1 4.48Å; L165-L169 VanDerWaalsContact O-CB 3.23Å; L165-L169 WeakPolarHBondContact O-CB 3.46Å; L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.25Å; L165-W171 HydrophobicContact CB-CH2 3.99Å; L165-W171 HydrophobicContact CB-CZ3 4.14Å; L165-L307 HydrophobicContact CD1-CB 3.88Å; L165-L307 HydrophobicContact CD1-CD2 4.01Å; L165-L307 HydrophobicContact CD1-CG 4.46Å; L165-L307 VanDerWaalsContact CD1-O 3.31Å; L165-L307 WeakPolarHBondContact CD1-O 3.41Å; L165-A311 HydrophobicContact CD1-CB 4.19Å; L165-A311 HydrophobicContact CD2-CB 3.68Å; L165-L414 HydrophobicContact CD1-CD1 4.21Å; L165-L414 HydrophobicContact CD2-CD1 3.94Å; L165-L414 HydrophobicContact CG-CD1 4.04Å
166G96.7Very high95.3Very high0 Ų010.5 Ų10.50%06%0.056CC..Hα-helixtrans-65.8-34.7-179.900000113.9Y162 L170 W171 F172Y162-G166 WeakPolarHBondContact O-CA 3.48Å; Y162-G166 PolarHBondContact O-N 3.38Å; G166-L170 PolarHBondContact O-N 3.48Å; G166-W171 VanDerWaalsContact CA-CD2 3.43Å; G166-W171 PolarHBondContact O-N 3.32Å; G166-F172 PolarHBondContact O-N 2.93Å
167T95.8Very high95.2Very high3 Ų311.5 Ų11.52%0.0186%0.061CC..Hα-helixtrans-67.7-48.9172.5-56.50000111E163 I164 L165 L170 F172 W174 E379E163-T167 WeakPolarHBondContact O-CB 3.21Å; E163-T167 PolarHBondContact O-N 3.49Å; E163-T167 PolarHBondContact O-OG1 3.04Å; I164-T167 PolarHBondContact O-N 3.39Å; L165-T167 VanDerWaalsContact C-N 3.33Å; L165-T167 PolarHBondContact O-N 3.29Å; T167-L170 PolarHBondContact O-N 3.17Å; T167-F172 WeakPolarHBondContact OG1-CE2 3.36Å; T167-W174 VanDerWaalsContact CG2-NE1 3.35Å; T167-W174 PolarHBondContact OG1-NE1 2.89Å; T167-E379 HydrophobicContact CG2-CG 4.2Å
168K94.8Very high95.2Very high26 Ų269.4 Ų9.411%0.1135%0.048CC..Hα-helixtrans-70.3-35-176-73.4-67.2-174.6-176.50113.4I164 L165 L170 S187 E379 F404I164-K168 PolarHBondContact O-N 3.07Å; I164-K168 VanDerWaalsContact O-N 3.08Å; L165-K168 PolarHBondContact O-N 3.4Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-S187 WeakPolarHBondContact CE-OG 3.17Å; K168-S187 PolarHBondContact NZ-OG 2.89Å; K168-E379 IonicContact NZ-OE1 3.56Å; K168-E379 IonicContact NZ-OE2 2.65Å; K168-E379 PolarHBondContact NZ-OE2 3.14Å; K168-F404 HydrophobicContact CB-CE1 3.74Å; K168-F404 HydrophobicContact CB-CZ 4.47Å; K168-F404 HydrophobicContact CD-CD1 4.43Å; K168-F404 HydrophobicContact CD-CE1 4.38Å; K168-F404 HydrophobicContact CG-CD1 4.44Å; K168-F404 HydrophobicContact CG-CE1 3.95Å
169L96.1Very high95.1Very high1 Ų110 Ų101%0.0055%0.052CC..THydrogen-bonded Turntrans-94.915.6178.9-58.3178.3000112.4H47 L165 W171 I310 V314 P316 I319H47-L169 PolarHBondContact CE1-O 2.95Å; H47-L169 PolarHBondContact NE2-O 3.45Å; L165-L169 HydrophobicContact CD2-CD1 4.48Å; L165-L169 VanDerWaalsContact O-CB 3.23Å; L165-L169 WeakPolarHBondContact O-CB 3.46Å; L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.25Å; L169-W171 HydrophobicContact CD1-CZ2 4.01Å; L169-W171 PolarHBondContact O-N 3.44Å; L169-W171 VanDerWaalsContact O-N 3.12Å; L169-I310 HydrophobicContact CD1-CG2 3.3Å; L169-V314 HydrophobicContact CD1-CB 4.35Å; L169-V314 HydrophobicContact CD1-CG1 4.27Å; L169-V314 HydrophobicContact CD2-CB 4.24Å; L169-V314 HydrophobicContact CD2-CG1 3.69Å; L169-P316 HydrophobicContact CD2-CB 4.21Å; L169-P316 HydrophobicContact CD2-CG 3.9Å; L169-I319 HydrophobicContact CD2-CG1 4.29Å
170L96.5Very high95Very high1 Ų19.4 Ų9.41%0.0055%0.05CC..THydrogen-bonded Turntrans55.632.8175.2-48.9-177.8000114.7H47 G166 T167 K168 F172 T173 I319 F380 I399H47-L170 PolarHBondContact NE2-O 3.35Å; G166-L170 PolarHBondContact O-N 3.48Å; T167-L170 PolarHBondContact O-N 3.17Å; K168-L170 VanDerWaalsContact C-N 3.34Å; L170-F172 PolarHBondContact O-N 3.41Å; L170-T173 HydrophobicContact CD2-CG2 4.14Å; L170-I319 HydrophobicContact CB-CG2 4.45Å; L170-F380 HydrophobicContact CD1-CB 4.22Å; L170-F380 HydrophobicContact CD2-CB 3.85Å; L170-F380 HydrophobicContact CD2-CD1 4.45Å; L170-I399 HydrophobicContact CD1-CD1 4.03Å; L170-I399 HydrophobicContact CD1-CG1 4.05Å; L170-I399 HydrophobicContact CD2-CD1 4.32Å
171W97.3Very high95Very high0 Ų07.8 Ų7.80%04%0.041CC..SBendtrans-67-25.9166.6-60.5-9.2000111H47 S49 L50 C53 G106 Y162 L165 G166 L169 L307 I310H47-W171 AromaticContact CE1-CD1 3.43Å; H47-W171 VanDerWaalsContact CE1-CD1 3.43Å; H47-W171 AromaticContact CE1-NE1 3.87Å; S49-W171 PolarHBondContact OG-NE1 3.31Å; S49-W171 VanDerWaalsContact OG-NE1 3.1Å; L50-W171 HydrophobicContact CB-CG 4.5Å; L50-W171 HydrophobicContact CD1-CB 3.9Å; L50-W171 HydrophobicContact CD1-CD2 4.42Å; L50-W171 HydrophobicContact CD1-CG 3.78Å; C53-W171 HydrophobicContact CB-CH2 3.88Å; C53-W171 HydrophobicContact CB-CZ2 3.8Å; C53-W171 HydrophobicContact CB-CZ3 4.28Å; C53-W171 VanDerWaalsContact SG-CH2 3.56Å; C53-W171 WeakPolarHBondContact SG-CZ3 3.24Å; G106-W171 PolarHBondContact N-O 3Å; Y162-W171 AromaticContact CD2-CE3 3.8Å; Y162-W171 HydrophobicContact CD2-CE3 3.8Å; Y162-W171 AromaticContact CD2-CZ3 3.53Å; Y162-W171 HydrophobicContact CD2-CZ3 3.53Å; Y162-W171 AromaticContact CE2-CE3 3.59Å; Y162-W171 HydrophobicContact CE2-CE3 3.59Å; Y162-W171 AromaticContact CE2-CZ3 3.81Å; Y162-W171 HydrophobicContact CE2-CZ3 3.81Å; Y162-W171 HydrophobicContact CG-CZ3 4.48Å; L165-W171 HydrophobicContact CB-CH2 3.99Å; L165-W171 HydrophobicContact CB-CZ3 4.14Å; G166-W171 VanDerWaalsContact CA-CD2 3.43Å; G166-W171 PolarHBondContact O-N 3.32Å; L169-W171 HydrophobicContact CD1-CZ2 4.01Å; L169-W171 PolarHBondContact O-N 3.44Å; L169-W171 VanDerWaalsContact O-N 3.12Å; W171-L307 HydrophobicContact CH2-CD2 3.75Å; W171-L307 HydrophobicContact CZ3-CD2 4.1Å; W171-I310 HydrophobicContact CH2-CD1 4.08Å; W171-I310 HydrophobicContact CH2-CG2 4.47Å; W171-I310 HydrophobicContact CZ2-CD1 3.93Å; W171-I310 HydrophobicContact CZ2-CG2 4.02Å
172F96.6Very high94.8Very high2 Ų214.7 Ų14.71%0.0097%0.071CC..EExtended strand (participates in β ladder)trans-156.1153.9167.242-92.2000109.4W104 H105 Y162 E163 G166 T167 L170 W174W104-F172 CarbonylContact O-C 3.25Å; W104-F172 WeakPolarHBondContact O-CA 3.38Å; W104-F172 WeakPolarHBondContact O-CB 3.44Å; H105-F172 AromaticContact ND1-CD1 3.91Å; Y162-F172 AromaticContact CE1-CE1 3.79Å; Y162-F172 HydrophobicContact CE1-CE1 3.79Å; Y162-F172 HydrophobicContact CE1-CZ 4.29Å; Y162-F172 HydrophobicContact CE2-CE1 4.49Å; Y162-F172 AromaticContact CZ-CE1 3.7Å; E163-F172 WeakPolarHBondContact OE2-CE2 3.25Å; E163-F172 VanDerWaalsContact OE2-CZ 3.24Å; E163-F172 WeakPolarHBondContact OE2-CZ 3.34Å; G166-F172 PolarHBondContact O-N 2.93Å; T167-F172 WeakPolarHBondContact OG1-CE2 3.36Å; L170-F172 PolarHBondContact O-N 3.41Å; F172-W174 AromaticContact CD2-CE2 3.82Å; F172-W174 AromaticContact CD2-CH2 3.97Å; F172-W174 HydrophobicContact CD2-CH2 3.97Å; F172-W174 AromaticContact CD2-CZ2 3.56Å; F172-W174 HydrophobicContact CD2-CZ2 3.56Å; F172-W174 AromaticContact CE2-CE2 3.81Å; F172-W174 AromaticContact CE2-CH2 3.93Å; F172-W174 HydrophobicContact CE2-CH2 3.93Å; F172-W174 AromaticContact CE2-CZ2 3.28Å; F172-W174 HydrophobicContact CE2-CZ2 3.28Å; F172-W174 HydrophobicContact CZ-CZ2 4.38Å
173T96Very high94.7Very high9 Ų916.7 Ų16.76%0.0558%0.08CC..EExtended strand (participates in β ladder)trans-116.3149.1174.857.40000110.8C103 W104 L170 H325 F380 I399C103-T173 CarbonylContact C-O 3.55Å; C103-T173 WeakPolarHBondContact CA-O 3.28Å; W104-T173 PolarHBondContact N-O 3.31Å; W104-T173 PolarHBondContact O-N 3.47Å; L170-T173 HydrophobicContact CD2-CG2 4.14Å; T173-H325 PolarHBondContact OG1-ND1 3.42Å; T173-F380 HydrophobicContact CG2-CD1 4.09Å; T173-F380 HydrophobicContact CG2-CE1 4.17Å; T173-I399 HydrophobicContact CG2-CD1 3.54Å
174W95.7Very high94.5Very high27 Ų2720.2 Ų20.210%0.10210%0.096CC..EExtended strand (participates in β ladder)trans-99.3152.6179-52.3109.8000110.5F102 C103 T167 F172 V181 P189 V192F102-W174 HydrophobicContact CD2-CE3 4.03Å; F102-W174 HydrophobicContact CD2-CZ3 4.29Å; F102-W174 HydrophobicContact CE2-CE3 4.1Å; F102-W174 AromaticContact CE2-CZ3 3.93Å; F102-W174 HydrophobicContact CE2-CZ3 3.93Å; F102-W174 CarbonylContact O-C 3.55Å; F102-W174 WeakPolarHBondContact O-CA 3.41Å; C103-W174 HydrophobicContact CB-CE3 3.95Å; C103-W174 HydrophobicContact CB-CZ3 3.75Å; T167-W174 VanDerWaalsContact CG2-NE1 3.35Å; T167-W174 PolarHBondContact OG1-NE1 2.89Å; F172-W174 AromaticContact CD2-CE2 3.82Å; F172-W174 AromaticContact CD2-CH2 3.97Å; F172-W174 HydrophobicContact CD2-CH2 3.97Å; F172-W174 AromaticContact CD2-CZ2 3.56Å; F172-W174 HydrophobicContact CD2-CZ2 3.56Å; F172-W174 AromaticContact CE2-CE2 3.81Å; F172-W174 AromaticContact CE2-CH2 3.93Å; F172-W174 HydrophobicContact CE2-CH2 3.93Å; F172-W174 AromaticContact CE2-CZ2 3.28Å; F172-W174 HydrophobicContact CE2-CZ2 3.28Å; F172-W174 HydrophobicContact CZ-CZ2 4.38Å; W174-V181 HydrophobicContact CB-CG1 3.83Å; W174-V181 HydrophobicContact CB-CG2 4.27Å; W174-P189 HydrophobicContact CB-CG 4.43Å; W174-P189 HydrophobicContact CD2-CG 3.68Å; W174-P189 HydrophobicContact CE3-CG 4.13Å; W174-P189 HydrophobicContact CG-CG 3.82Å; W174-P189 HydrophobicContact CZ2-CG 4.37Å; W174-V192 HydrophobicContact CE3-CG2 4.5Å; W174-V192 HydrophobicContact CH2-CB 4.41Å; W174-V192 HydrophobicContact CH2-CG1 3.97Å; W174-V192 HydrophobicContact CH2-CG2 4.03Å; W174-V192 HydrophobicContact CZ3-CG1 4.42Å; W174-V192 HydrophobicContact CZ3-CG2 3.83Å
175H95.1Very high94.3Very high10 Ų1024.7 Ų24.75%0.04612%0.115CC..  trans-56.1141.1170.3-164.7-67.1000111.2F102 W104 D177 H178 V181 Q326 E367F102-H175 HydrophobicContact CB-CB 3.79Å; F102-H175 PolarHBondContact O-N 3.18Å; W104-H175 HydrophobicContact CH2-CB 4.4Å; W104-H175 AromaticContact CH2-CD2 3.74Å; W104-H175 HydrophobicContact CZ3-CB 3.88Å; H175-D177 IonicContact CE1-OD1 2.62Å; H175-D177 PolarHBondContact CE1-OD1 3.46Å; H175-D177 PolarHBondContact ND1-N 3.01Å; H175-D177 IonicContact ND1-OD1 3.2Å; H175-D177 PolarHBondContact ND1-OD1 3.46Å; H175-H178 HydrophobicContact CB-CB 3.7Å; H175-H178 PolarHBondContact ND1-N 3.49Å; H175-V181 VanDerWaalsContact O-CG1 3.23Å; H175-V181 WeakPolarHBondContact O-CG1 3.22Å; H175-Q326 PolarHBondContact CE1-NE2 2.96Å; H175-Q326 VanDerWaalsContact CE1-NE2 3.25Å; H175-Q326 PolarHBondContact NE2-NE2 2.89Å; H175-E367 PolarHBondContact CE1-O 3.4Å; H175-E367 PolarHBondContact NE2-O 2.95Å; H175-E367 VanDerWaalsContact NE2-O 3.11Å
176S92.7Very high94.1Very high25 Ų2528 Ų2818%0.17513%0.128CC..SBendtrans-56.9-52-176.839.20000114.4Q326S176-Q326 PolarHBondContact OG-NE2 3.43Å; S176-Q326 PolarHBondContact OG-OE1 3.35Å
177D91.7Very high93.8Very high33 Ų3328.8 Ų28.818%0.17613%0.133CC..SBendtrans-129.613.5-171.575.5-29.4000115.4H175 K182 M366 E367H175-D177 IonicContact CE1-OD1 2.62Å; H175-D177 PolarHBondContact CE1-OD1 3.46Å; H175-D177 PolarHBondContact ND1-N 3.01Å; H175-D177 IonicContact ND1-OD1 3.2Å; H175-D177 PolarHBondContact ND1-OD1 3.46Å; D177-K182 WeakPolarHBondContact O-CE 3.33Å; D177-M366 WeakPolarHBondContact OD2-CA 3.32Å; D177-E367 WeakPolarHBondContact OD1-CB 3.48Å; D177-E367 PolarHBondContact OD1-N 3.05Å; D177-E367 WeakPolarHBondContact OD2-CG 3.43Å; D177-E367 PolarHBondContact OD2-N 2.84Å
178H93.2Very high93.7Very high1 Ų128.9 Ų28.91%0.00513%0.134CC..  trans-56137.6-178.4-170.5-77.4000110.9N99 F102 H175 F180 V181 K182 M366N99-H178 PolarHBondContact O-CE1 3.39Å; N99-H178 PolarHBondContact O-NE2 2.96Å; F102-H178 HydrophobicContact CB-CB 4.11Å; F102-H178 AromaticContact CD1-CE1 3.84Å; H175-H178 HydrophobicContact CB-CB 3.7Å; H175-H178 PolarHBondContact ND1-N 3.49Å; H178-F180 AromaticContact CE1-CD2 3.37Å; H178-F180 WeakPolarHBondContact CE1-CD2 3.36Å; H178-F180 AromaticContact CE1-CE2 3.9Å; H178-F180 AromaticContact CE1-CG 3.58Å; H178-F180 WeakPolarHBondContact ND1-CB 3.38Å; H178-F180 AromaticContact ND1-CD2 3.88Å; H178-F180 AromaticContact ND1-CG 3.69Å; H178-F180 PolarHBondContact ND1-N 3.05Å; H178-F180 PolarHBondContact O-N 3.18Å; H178-F180 VanDerWaalsContact O-N 3.11Å; H178-V181 HydrophobicContact CB-CB 4.2Å; H178-V181 HydrophobicContact CB-CG2 3.96Å; H178-V181 WeakPolarHBondContact O-CA 3.4Å; H178-V181 PolarHBondContact O-N 2.71Å; H178-K182 PolarHBondContact O-N 2.89Å; H178-M366 PolarHBondContact CD2-SD 3.33Å
179P91.3Very high93.7Very high16 Ų1627.6 Ų27.610%0.10413%0.128CC..THydrogen-bonded Turntrans-53.8-36.9-177.8-31.938.9000114.5V181 F250 F364P179-V181 VanDerWaalsContact C-N 3.27Å; P179-V181 PolarHBondContact O-N 3.43Å; P179-F250 HydrophobicContact CB-CE1 4.34Å; P179-F250 HydrophobicContact CB-CZ 4.13Å; P179-F364 HydrophobicContact CB-CD1 3.93Å; P179-F364 HydrophobicContact CB-CE1 4.42Å; P179-F364 HydrophobicContact CG-CB 3.93Å; P179-F364 HydrophobicContact CG-CD1 3.74Å; P179-F364 HydrophobicContact CG-CG 4.1Å
180F93.3Very high93.7Very high0 Ų029.6 Ų29.60%014%0.139CC..THydrogen-bonded Turntrans-69.7-18.9174.8-58.5-17.8000114.3N99 F102 H178 S191 Y243 F246 E247 F250 F364N99-F180 HydrophobicContact CB-CE2 4.42Å; N99-F180 WeakPolarHBondContact O-CD2 3.47Å; N99-F180 VanDerWaalsContact O-CE2 3.26Å; N99-F180 WeakPolarHBondContact O-CE2 3.39Å; F102-F180 HydrophobicContact CD1-CD2 4.04Å; F102-F180 HydrophobicContact CE1-CB 4.39Å; F102-F180 AromaticContact CE1-CD2 3.63Å; F102-F180 HydrophobicContact CE1-CD2 3.63Å; F102-F180 HydrophobicContact CE1-CE2 4.47Å; F102-F180 HydrophobicContact CZ-CD2 4.47Å; H178-F180 AromaticContact CE1-CD2 3.37Å; H178-F180 WeakPolarHBondContact CE1-CD2 3.36Å; H178-F180 AromaticContact CE1-CE2 3.9Å; H178-F180 AromaticContact CE1-CG 3.58Å; H178-F180 WeakPolarHBondContact ND1-CB 3.38Å; H178-F180 AromaticContact ND1-CD2 3.88Å; H178-F180 AromaticContact ND1-CG 3.69Å; H178-F180 PolarHBondContact ND1-N 3.05Å; H178-F180 PolarHBondContact O-N 3.18Å; H178-F180 VanDerWaalsContact O-N 3.11Å; F180-S191 WeakPolarHBondContact O-CB 3.3Å; F180-S191 PolarHBondContact O-OG 3.21Å; F180-Y243 HydrophobicContact CE2-CE2 4.46Å; F180-F246 HydrophobicContact CD1-CE1 4.12Å; F180-F246 HydrophobicContact CD1-CZ 4.21Å; F180-F246 HydrophobicContact CD2-CE1 4.08Å; F180-F246 AromaticContact CE1-CE1 3.91Å; F180-F246 HydrophobicContact CE1-CE1 3.91Å; F180-F246 HydrophobicContact CE1-CZ 4.32Å; F180-F246 AromaticContact CE2-CE1 3.86Å; F180-F246 HydrophobicContact CE2-CE1 3.86Å; F180-F246 HydrophobicContact CG-CE1 4.23Å; F180-F246 HydrophobicContact CG-CZ 4.43Å; F180-F246 AromaticContact CZ-CE1 3.78Å; F180-F246 HydrophobicContact CZ-CE1 3.78Å; F180-E247 HydrophobicContact CZ-CG 4.33Å; F180-F250 HydrophobicContact CD1-CD1 4.2Å; F180-F250 AromaticContact CD1-CD2 3.88Å; F180-F250 HydrophobicContact CD1-CD2 3.88Å; F180-F250 HydrophobicContact CD1-CE1 4.06Å; F180-F250 AromaticContact CD1-CE2 3.68Å; F180-F250 HydrophobicContact CD1-CE2 3.68Å; F180-F250 HydrophobicContact CD1-CG 4.13Å; F180-F250 AromaticContact CD1-CZ 3.79Å; F180-F250 HydrophobicContact CD1-CZ 3.79Å; F180-F250 HydrophobicContact CE1-CB 4.35Å; F180-F250 AromaticContact CE1-CD1 3.64Å; F180-F250 HydrophobicContact CE1-CD1 3.64Å; F180-F250 AromaticContact CE1-CD2 3.94Å; F180-F250 HydrophobicContact CE1-CD2 3.94Å; F180-F250 AromaticContact CE1-CE1 3.85Å; F180-F250 HydrophobicContact CE1-CE1 3.85Å; F180-F250 HydrophobicContact CE1-CE2 4.09Å; F180-F250 AromaticContact CE1-CG 3.71Å; F180-F250 HydrophobicContact CE1-CG 3.71Å; F180-F250 HydrophobicContact CE1-CZ 4.06Å; F180-F364 HydrophobicContact CE1-CE1 4.33Å; F180-F364 HydrophobicContact CE1-CE2 4.3Å; F180-F364 AromaticContact CE1-CZ 3.88Å; F180-F364 HydrophobicContact CE1-CZ 3.88Å; F180-F364 HydrophobicContact CZ-CE2 4.01Å; F180-F364 HydrophobicContact CZ-CZ 4.01Å
181V93.4Very high93.6Very high0 Ų029.6 Ų29.60%014%0.139CC..THydrogen-bonded Turntrans-96.4-14.2-176.6177.80000112.7F102 W174 H175 H178 P179 Q183 K184 P189F102-V181 HydrophobicContact CB-CG2 4.38Å; F102-V181 HydrophobicContact CD2-CG2 3.88Å; F102-V181 HydrophobicContact CG-CG2 4.27Å; W174-V181 HydrophobicContact CB-CG1 3.83Å; W174-V181 HydrophobicContact CB-CG2 4.27Å; H175-V181 VanDerWaalsContact O-CG1 3.23Å; H175-V181 WeakPolarHBondContact O-CG1 3.22Å; H178-V181 HydrophobicContact CB-CB 4.2Å; H178-V181 HydrophobicContact CB-CG2 3.96Å; H178-V181 WeakPolarHBondContact O-CA 3.4Å; H178-V181 PolarHBondContact O-N 2.71Å; P179-V181 VanDerWaalsContact C-N 3.27Å; P179-V181 PolarHBondContact O-N 3.43Å; V181-Q183 VanDerWaalsContact C-N 3.29Å; V181-Q183 PolarHBondContact O-N 2.98Å; V181-K184 VanDerWaalsContact CG1-CE 3.45Å; V181-K184 WeakPolarHBondContact O-CE 3.25Å; V181-K184 VanDerWaalsContact O-CG 3.32Å; V181-K184 WeakPolarHBondContact O-CG 3.2Å; V181-P189 HydrophobicContact CB-CG 4.3Å; V181-P189 HydrophobicContact CG1-CG 3.97Å; V181-P189 HydrophobicContact CG2-CB 4.47Å; V181-P189 HydrophobicContact CG2-CG 4.09Å
182K91.5Very high93.4Very high148 Ų14829.9 Ų29.964%0.64314%0.14SC*.SBendtrans-57.3-37.5-174.7-70.6-175.5178.1-179.90114.1D177 H178D177-K182 WeakPolarHBondContact O-CE 3.33Å; H178-K182 PolarHBondContact O-N 2.89Å
183Q93Very high93.3Very high41 Ų4131.3 Ų31.319%0.19215%0.149CC..SBendtrans-104.3122.7179.1-74.8179.91400111.7V181 P189 L190 N259 T261V181-Q183 VanDerWaalsContact C-N 3.29Å; V181-Q183 PolarHBondContact O-N 2.98Å; Q183-P189 WeakPolarHBondContact O-CA 3.43Å; Q183-L190 HydrophobicContact CB-CD1 4.39Å; Q183-L190 PolarHBondContact O-N 3.4Å; Q183-N259 PolarHBondContact NE2-ND2 2.81Å; Q183-N259 PolarHBondContact NE2-OD1 3.22Å; Q183-T261 HydrophobicContact CB-CG2 3.85Å; Q183-T261 VanDerWaalsContact OE1-CG2 3.25Å
184K92.9Very high93.3Very high81 Ų8131.1 Ų31.135%0.35215%0.148SC..EExtended strand (participates in β ladder)trans-127150-173.4-59.5176-178.7176.40110.9V181 V188V181-K184 VanDerWaalsContact CG1-CE 3.45Å; V181-K184 WeakPolarHBondContact O-CE 3.25Å; V181-K184 VanDerWaalsContact O-CG 3.32Å; V181-K184 WeakPolarHBondContact O-CG 3.2Å; K184-V188 CarbonylContact C-O 3.51Å; K184-V188 WeakPolarHBondContact CA-O 3.49Å
185F90.9Very high93.3Very high95 Ų9530 Ų3042%0.41714%0.144SC..EExtended strand (participates in β ladder)trans-126.5117.8168.5169.3-99.7000107.4I164 S187 V188 L190I164-F185 HydrophobicContact CD1-CE1 4.46Å; F185-S187 PolarHBondContact O-N 3.12Å; F185-V188 PolarHBondContact N-O 3.17Å; F185-V188 WeakPolarHBondContact O-CB 3.41Å; F185-V188 PolarHBondContact O-N 3.09Å; F185-L190 HydrophobicContact CB-CD2 3.73Å; F185-L190 HydrophobicContact CB-CG 4.19Å
186Y90.9Very high93.4Very high70 Ų7029.6 Ų29.628%0.27514%0.142SC..THydrogen-bonded Turntrans4649.2-168.3-65.8-88000112.5V188 E409 L410 V413Y186-V188 PolarHBondContact O-N 2.98Å; Y186-V188 VanDerWaalsContact O-N 3.08Å; Y186-E409 PolarHBondContact OH-OE1 3.04Å; Y186-L410 HydrophobicContact CD1-CD1 4.21Å; Y186-V413 HydrophobicContact CE2-CG1 4.17Å; Y186-V413 HydrophobicContact CE2-CG2 4.28Å; Y186-V413 WeakPolarHBondContact OH-CG2 3.37Å
187S91.3Very high93.6Very high15 Ų1528.9 Ų28.911%0.10514%0.136CC..THydrogen-bonded Turntrans69.2-7.2-178.5-52.10000116.5K168 F185 E379K168-S187 WeakPolarHBondContact CE-OG 3.17Å; K168-S187 PolarHBondContact NZ-OG 2.89Å; F185-S187 PolarHBondContact O-N 3.12Å; S187-E379 VanDerWaalsContact CB-CD 3.46Å; S187-E379 WeakPolarHBondContact CB-OE1 3.43Å; S187-E379 PolarHBondContact OG-OE1 3.24Å; S187-E379 PolarHBondContact OG-OE2 2.9Å
188V94.1Very high93.8Very high5 Ų529.8 Ų29.83%0.0314%0.137CC..EExtended strand (participates in β ladder)trans-84.1126176.9-178.10000110.6E163 I164 K184 F185 Y186 L190 V193E163-V188 VanDerWaalsContact C-CG2 3.45Å; E163-V188 HydrophobicContact CB-CB 4.49Å; E163-V188 HydrophobicContact CB-CG1 3.79Å; E163-V188 HydrophobicContact CB-CG2 3.84Å; E163-V188 HydrophobicContact CG-CG1 4.46Å; E163-V188 WeakPolarHBondContact O-CG2 3.33Å; I164-V188 VanDerWaalsContact CA-CG2 3.47Å; I164-V188 HydrophobicContact CB-CG2 4.14Å; I164-V188 HydrophobicContact CG1-CG2 3.64Å; K184-V188 CarbonylContact C-O 3.51Å; K184-V188 WeakPolarHBondContact CA-O 3.49Å; F185-V188 PolarHBondContact N-O 3.17Å; F185-V188 WeakPolarHBondContact O-CB 3.41Å; F185-V188 PolarHBondContact O-N 3.09Å; Y186-V188 PolarHBondContact O-N 2.98Å; Y186-V188 VanDerWaalsContact O-N 3.08Å; V188-L190 PolarHBondContact O-N 3.02Å; V188-V193 HydrophobicContact CG1-CG2 3.99Å
189P95.2Very high94Very high0 Ų029.9 Ų29.90%014%0.138CC..EExtended strand (participates in β ladder)trans-58.5120.1172.9-2838.6000112.8W174 V181 Q183 S191 V192W174-P189 HydrophobicContact CB-CG 4.43Å; W174-P189 HydrophobicContact CD2-CG 3.68Å; W174-P189 HydrophobicContact CE3-CG 4.13Å; W174-P189 HydrophobicContact CG-CG 3.82Å; W174-P189 HydrophobicContact CZ2-CG 4.37Å; V181-P189 HydrophobicContact CB-CG 4.3Å; V181-P189 HydrophobicContact CG1-CG 3.97Å; V181-P189 HydrophobicContact CG2-CB 4.47Å; V181-P189 HydrophobicContact CG2-CG 4.09Å; Q183-P189 WeakPolarHBondContact O-CA 3.43Å; P189-S191 PolarHBondContact O-N 3.14Å; P189-V192 HydrophobicContact CB-CB 4.32Å; P189-V192 HydrophobicContact CB-CG2 3.8Å; P189-V192 HydrophobicContact CG-CG2 4.34Å; P189-V192 WeakPolarHBondContact O-CB 3.36Å; P189-V192 PolarHBondContact O-N 2.58Å
190L95Very high94.3Very high43 Ų4329.1 Ų29.123%0.22513%0.133CC..Hα-helixtrans-61.5-34.6179.1-75174000112Q183 F185 V188 V192 V193 V194 T261 L265Q183-L190 HydrophobicContact CB-CD1 4.39Å; Q183-L190 PolarHBondContact O-N 3.4Å; F185-L190 HydrophobicContact CB-CD2 3.73Å; F185-L190 HydrophobicContact CB-CG 4.19Å; V188-L190 PolarHBondContact O-N 3.02Å; L190-V192 PolarHBondContact O-N 3.11Å; L190-V193 WeakPolarHBondContact O-CB 3.4Å; L190-V193 PolarHBondContact O-N 3.17Å; L190-V194 WeakPolarHBondContact O-CG2 3.43Å; L190-V194 PolarHBondContact O-N 2.93Å; L190-T261 HydrophobicContact CB-CG2 3.69Å; L190-L265 HydrophobicContact CD1-CD2 4.38Å
191S94.1Very high94.5Very high1 Ų129.5 Ų29.51%0.00714%0.136CC..Hα-helixtrans-59.8-32.9176-64.90000113.1F180 P189 V194 L195 T261F180-S191 WeakPolarHBondContact O-CB 3.3Å; F180-S191 PolarHBondContact O-OG 3.21Å; P189-S191 PolarHBondContact O-N 3.14Å; S191-V194 PolarHBondContact O-N 3.02Å; S191-L195 WeakPolarHBondContact O-CB 3.44Å; S191-L195 PolarHBondContact O-N 2.66Å; S191-T261 PolarHBondContact OG-OG1 3.12Å
192V93.9Very high94.7Very high5 Ų530.2 Ų30.23%0.0314%0.141CC..Hα-helixtrans-68.9-40.1177.7173.90000111F102 W174 P189 L190 V194 L195 H196F102-V192 HydrophobicContact CE2-CG2 3.35Å; F102-V192 HydrophobicContact CZ-CG2 3.67Å; W174-V192 HydrophobicContact CE3-CG2 4.5Å; W174-V192 HydrophobicContact CH2-CB 4.41Å; W174-V192 HydrophobicContact CH2-CG1 3.97Å; W174-V192 HydrophobicContact CH2-CG2 4.03Å; W174-V192 HydrophobicContact CZ3-CG1 4.42Å; W174-V192 HydrophobicContact CZ3-CG2 3.83Å; P189-V192 HydrophobicContact CB-CB 4.32Å; P189-V192 HydrophobicContact CB-CG2 3.8Å; P189-V192 HydrophobicContact CG-CG2 4.34Å; P189-V192 WeakPolarHBondContact O-CB 3.36Å; P189-V192 PolarHBondContact O-N 2.58Å; L190-V192 PolarHBondContact O-N 3.11Å; V192-V194 VanDerWaalsContact C-N 3.35Å; V192-L195 PolarHBondContact O-N 3.04Å; V192-H196 WeakPolarHBondContact O-CB 3.48Å; V192-H196 PolarHBondContact O-N 3.38Å
193V95Very high95Very high32 Ų3223.1 Ų23.119%0.19411%0.11CC..Hα-helixtrans-61.5-46176.1-179.40000110T156 V188 L190 F197T156-V193 HydrophobicContact CG2-CB 4.43Å; T156-V193 HydrophobicContact CG2-CG1 3.25Å; V188-V193 HydrophobicContact CG1-CG2 3.99Å; L190-V193 WeakPolarHBondContact O-CB 3.4Å; L190-V193 PolarHBondContact O-N 3.17Å; V193-F197 PolarHBondContact O-N 3.16Å; V193-F197 VanDerWaalsContact O-N 3.09Å
194V95.1Very high95.3Very high5 Ų521.2 Ų21.23%0.0310%0.101CC..Hα-helixtrans-69.4-41.4177.6-178.30000111.5L190 S191 V192 H196 F197 W198 F246 V264 L265 T268L190-V194 WeakPolarHBondContact O-CG2 3.43Å; L190-V194 PolarHBondContact O-N 2.93Å; S191-V194 PolarHBondContact O-N 3.02Å; V192-V194 VanDerWaalsContact C-N 3.35Å; V194-H196 VanDerWaalsContact C-N 3.33Å; V194-H196 PolarHBondContact O-N 3.28Å; V194-F197 VanDerWaalsContact O-CB 3.28Å; V194-F197 WeakPolarHBondContact O-CB 3.41Å; V194-F197 PolarHBondContact O-N 3.08Å; V194-F197 VanDerWaalsContact O-N 3.14Å; V194-W198 PolarHBondContact O-N 3Å; V194-F246 HydrophobicContact CB-CD2 4.34Å; V194-F246 HydrophobicContact CB-CE2 4.17Å; V194-F246 HydrophobicContact CG1-CD2 3.94Å; V194-F246 HydrophobicContact CG1-CE2 4.14Å; V194-V264 HydrophobicContact CG1-CG1 4.26Å; V194-V264 HydrophobicContact CG1-CG2 3.99Å; V194-L265 HydrophobicContact CG2-CB 4.46Å; V194-L265 HydrophobicContact CG2-CD1 3.79Å; V194-T268 WeakPolarHBondContact CG1-OG1 3.22Å
195L95.4Very high95.5Very high4 Ų419.4 Ų19.42%0.02110%0.101CC..Hα-helixtrans-59.6-44176.7172.759.4000111.7S191 V192 F197 W198 S199 Y243 F246S191-L195 WeakPolarHBondContact O-CB 3.44Å; S191-L195 PolarHBondContact O-N 2.66Å; V192-L195 PolarHBondContact O-N 3.04Å; L195-F197 VanDerWaalsContact C-N 3.33Å; L195-F197 PolarHBondContact O-N 3.14Å; L195-W198 PolarHBondContact O-N 3.08Å; L195-S199 WeakPolarHBondContact O-CB 3.11Å; L195-S199 PolarHBondContact O-N 2.92Å; L195-S199 PolarHBondContact O-OG 3.45Å; L195-Y243 HydrophobicContact CD1-CD2 3.81Å; L195-Y243 HydrophobicContact CD1-CG 4.35Å; L195-Y243 HydrophobicContact CD2-CD2 4.16Å; L195-F246 HydrophobicContact CB-CD1 4.11Å; L195-F246 HydrophobicContact CB-CD2 4.24Å; L195-F246 HydrophobicContact CB-CE1 4.37Å; L195-F246 HydrophobicContact CB-CE2 4.48Å; L195-F246 HydrophobicContact CB-CG 4.07Å; L195-F246 HydrophobicContact CD1-CB 3.89Å; L195-F246 HydrophobicContact CD1-CD1 3.81Å; L195-F246 HydrophobicContact CD1-CG 3.91Å; L195-F246 HydrophobicContact CG-CD1 4.38Å
196H96.8Very high95.8Very high2 Ų217.5 Ų17.51%0.0099%0.093CC..Hα-helixtrans-60.4-44.6174.3-177.570.7000111.4S155 T156 V192 V194 W198 S199 V200S155-H196 PolarHBondContact OG-NE2 3.38Å; T156-H196 PolarHBondContact OG1-CD2 2.96Å; V192-H196 WeakPolarHBondContact O-CB 3.48Å; V192-H196 PolarHBondContact O-N 3.38Å; V194-H196 VanDerWaalsContact C-N 3.33Å; V194-H196 PolarHBondContact O-N 3.28Å; H196-W198 PolarHBondContact O-N 2.6Å; H196-S199 PolarHBondContact O-N 3.18Å; H196-V200 WeakPolarHBondContact O-CG2 3.43Å; H196-V200 PolarHBondContact O-N 3.44Å
197F97Very high96.1Very high10 Ų1014.6 Ų14.64%0.0448%0.082CC..Hα-helixtrans-54.6-52.8175.9177.9-84.4000112.1F149 A152 V153 T156 V193 V194 L195 S199 V200 A201 T268 C272F149-F197 HydrophobicContact CB-CZ 4.31Å; F149-F197 AromaticContact CD1-CE1 3.81Å; F149-F197 HydrophobicContact CD1-CE1 3.81Å; F149-F197 AromaticContact CD1-CZ 3.48Å; F149-F197 HydrophobicContact CD1-CZ 3.48Å; F149-F197 VanDerWaalsContact CD1-CZ 3.48Å; F149-F197 AromaticContact CE1-CE1 3.87Å; F149-F197 HydrophobicContact CE1-CE1 3.87Å; F149-F197 HydrophobicContact CE1-CZ 4.05Å; F149-F197 HydrophobicContact CG-CZ 4.17Å; A152-F197 HydrophobicContact CB-CD1 4.46Å; A152-F197 HydrophobicContact CB-CD2 3.53Å; A152-F197 HydrophobicContact CB-CE1 4.34Å; A152-F197 HydrophobicContact CB-CE2 3.38Å; A152-F197 HydrophobicContact CB-CG 4.05Å; A152-F197 HydrophobicContact CB-CZ 3.78Å; A152-F197 WeakPolarHBondContact CB-O 3.44Å; V153-F197 HydrophobicContact CB-CE2 4.37Å; V153-F197 HydrophobicContact CG2-CD2 4.39Å; V153-F197 HydrophobicContact CG2-CE2 3.59Å; V153-F197 HydrophobicContact CG2-CZ 4.46Å; T156-F197 WeakPolarHBondContact OG1-CA 3.4Å; V193-F197 PolarHBondContact O-N 3.16Å; V193-F197 VanDerWaalsContact O-N 3.09Å; V194-F197 VanDerWaalsContact O-CB 3.28Å; V194-F197 WeakPolarHBondContact O-CB 3.41Å; V194-F197 PolarHBondContact O-N 3.08Å; V194-F197 VanDerWaalsContact O-N 3.14Å; L195-F197 VanDerWaalsContact C-N 3.33Å; L195-F197 PolarHBondContact O-N 3.14Å; F197-S199 VanDerWaalsContact C-N 3.34Å; F197-S199 PolarHBondContact O-N 3.48Å; F197-V200 PolarHBondContact O-N 2.69Å; F197-A201 HydrophobicContact CE1-CB 4.34Å; F197-A201 WeakPolarHBondContact O-CB 3.42Å; F197-A201 PolarHBondContact O-N 3.07Å; F197-T268 HydrophobicContact CD1-CG2 3.55Å; F197-T268 HydrophobicContact CE1-CG2 3.65Å; F197-T268 HydrophobicContact CG-CG2 4.15Å; F197-T268 HydrophobicContact CZ-CG2 4.32Å; F197-C272 WeakPolarHBondContact CZ-SG 3.37Å
198W96.3Very high96.3Very high52 Ų5214.7 Ų14.720%0.1978%0.081CC..Hα-helixtrans-64-40.2-178.9-78.964.8000111.7V194 L195 H196 V200 A201 C202 L245 F246 A249 V264 T268V194-W198 PolarHBondContact O-N 3Å; L195-W198 PolarHBondContact O-N 3.08Å; H196-W198 PolarHBondContact O-N 2.6Å; W198-V200 PolarHBondContact O-N 3.29Å; W198-A201 PolarHBondContact O-N 3.46Å; W198-C202 WeakPolarHBondContact O-CB 3.4Å; W198-C202 PolarHBondContact O-N 2.64Å; W198-C202 PolarHBondContact O-SG 3.44Å; W198-C202 VanDerWaalsContact O-SG 3.33Å; W198-L245 HydrophobicContact CE3-CB 3.4Å; W198-L245 HydrophobicContact CE3-CD1 4.09Å; W198-L245 HydrophobicContact CE3-CG 4.38Å; W198-L245 HydrophobicContact CZ3-CB 3.47Å; W198-L245 VanDerWaalsContact CZ3-CB 3.47Å; W198-L245 HydrophobicContact CZ3-CD1 4.09Å; W198-L245 HydrophobicContact CZ3-CG 4.28Å; W198-F246 HydrophobicContact CB-CB 4.45Å; W198-F246 HydrophobicContact CG-CB 4.45Å; W198-A249 HydrophobicContact CH2-CB 4.13Å; W198-A249 HydrophobicContact CZ2-CB 4.21Å; W198-V264 HydrophobicContact CZ2-CG2 4.49Å; W198-T268 PolarHBondContact NE1-OG1 3.14Å
199S97.7Very high96.4Very high2 Ų218.8 Ų18.81%0.01410%0.102CC..Hα-helixtrans-58.8-46.4176.3-59.60000111.9F85 L195 H196 F197 F203 G238F85-S199 WeakPolarHBondContact CE2-O 3.21Å; L195-S199 WeakPolarHBondContact O-CB 3.11Å; L195-S199 PolarHBondContact O-N 2.92Å; L195-S199 PolarHBondContact O-OG 3.45Å; H196-S199 PolarHBondContact O-N 3.18Å; F197-S199 VanDerWaalsContact C-N 3.34Å; F197-S199 PolarHBondContact O-N 3.48Å; S199-F203 WeakPolarHBondContact O-CB 3.48Å; S199-F203 PolarHBondContact O-N 2.81Å; S199-G238 CarbonylContact O-C 3.56Å
200V98.3Very high96.4Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-69.2-43.7178176.40000111.1F85 V130 V151 A152 H196 F197 W198 C202 F203 V204F85-V200 HydrophobicContact CE1-CG2 4.34Å; F85-V200 HydrophobicContact CZ-CG2 3.99Å; V130-V200 HydrophobicContact CG1-CG1 4.24Å; V130-V200 HydrophobicContact CG2-CG2 4.03Å; V151-V200 HydrophobicContact CG1-CG1 3.9Å; A152-V200 HydrophobicContact CB-CB 4.06Å; A152-V200 HydrophobicContact CB-CG1 4.03Å; H196-V200 WeakPolarHBondContact O-CG2 3.43Å; H196-V200 PolarHBondContact O-N 3.44Å; F197-V200 PolarHBondContact O-N 2.69Å; W198-V200 PolarHBondContact O-N 3.29Å; V200-C202 VanDerWaalsContact C-N 3.32Å; V200-C202 PolarHBondContact O-N 3.08Å; V200-F203 WeakPolarHBondContact O-CB 3.41Å; V200-F203 PolarHBondContact O-N 2.97Å; V200-V204 HydrophobicContact CG1-CG2 4.48Å; V200-V204 WeakPolarHBondContact O-CG2 3.45Å; V200-V204 PolarHBondContact O-N 2.93Å
201A97Very high96.4Very high9 Ų918.8 Ų18.87%0.07410%0.102CC..Hα-helixtrans-59.9-43.8178.500000111.5A152 F197 W198 V204 A205A152-A201 HydrophobicContact CB-CB 3.91Å; F197-A201 HydrophobicContact CE1-CB 4.34Å; F197-A201 WeakPolarHBondContact O-CB 3.42Å; F197-A201 PolarHBondContact O-N 3.07Å; W198-A201 PolarHBondContact O-N 3.46Å; A201-V204 PolarHBondContact O-N 3.17Å; A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 3.31Å
202C97.6Very high96.4Very high14 Ų1426.4 Ų26.410%0.09513%0.13CC..Hα-helixtrans-63.3-44.5174.3-74.10000111.8W198 V200 V204 A205 F206 G238W198-C202 WeakPolarHBondContact O-CB 3.4Å; W198-C202 PolarHBondContact O-N 2.64Å; W198-C202 PolarHBondContact O-SG 3.44Å; W198-C202 VanDerWaalsContact O-SG 3.33Å; V200-C202 VanDerWaalsContact C-N 3.32Å; V200-C202 PolarHBondContact O-N 3.08Å; C202-V204 VanDerWaalsContact C-N 3.34Å; C202-V204 PolarHBondContact O-N 3.14Å; C202-A205 PolarHBondContact O-N 2.99Å; C202-F206 HydrophobicContact CB-CD2 4.41Å; C202-F206 WeakPolarHBondContact O-CD2 3.42Å; C202-F206 PolarHBondContact O-N 2.82Å; C202-G238 WeakPolarHBondContact CB-O 3.41Å
203F98.5Very high96.4Very high0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-54.1-49.1175.7166.1-109.8000111.7S81 T82 F85 V130 L134 S199 V200 A205 F206 L207 A234 A235S81-F203 WeakPolarHBondContact OG-CZ 3.43Å; T82-F203 HydrophobicContact CG2-CE1 4.01Å; T82-F203 HydrophobicContact CG2-CZ 3.99Å; F85-F203 HydrophobicContact CB-CD2 4.49Å; F85-F203 HydrophobicContact CB-CE2 4.48Å; F85-F203 HydrophobicContact CD2-CB 3.8Å; F85-F203 AromaticContact CD2-CD2 3.86Å; F85-F203 HydrophobicContact CD2-CD2 3.86Å; F85-F203 AromaticContact CD2-CG 3.84Å; F85-F203 HydrophobicContact CD2-CG 3.84Å; F85-F203 HydrophobicContact CE2-CB 3.72Å; F85-F203 HydrophobicContact CE2-CG 4.2Å; F85-F203 HydrophobicContact CG-CD2 4.5Å; V130-F203 HydrophobicContact CG1-CD1 4.08Å; V130-F203 HydrophobicContact CG1-CE1 3.92Å; L134-F203 HydrophobicContact CD1-CE1 3.64Å; L134-F203 HydrophobicContact CD1-CZ 4.36Å; S199-F203 WeakPolarHBondContact O-CB 3.48Å; S199-F203 PolarHBondContact O-N 2.81Å; V200-F203 WeakPolarHBondContact O-CB 3.41Å; V200-F203 PolarHBondContact O-N 2.97Å; F203-A205 PolarHBondContact O-N 3.11Å; F203-F206 PolarHBondContact O-N 3.47Å; F203-L207 WeakPolarHBondContact O-CB 3.49Å; F203-L207 PolarHBondContact O-N 3.24Å; F203-A234 HydrophobicContact CD2-CB 3.9Å; F203-A234 WeakPolarHBondContact CD2-O 3.41Å; F203-A234 HydrophobicContact CE2-CB 3.99Å; F203-A235 HydrophobicContact CE2-CB 4.27Å
204V97.8Very high96.4Very high0 Ų034.8 Ų34.80%017%0.173CC..Hα-helixtrans-67.3-38.1178.3-172.80000111.8L134 C148 V151 V200 A201 C202 L207 H208L134-V204 HydrophobicContact CD2-CG1 4.29Å; L134-V204 HydrophobicContact CD2-CG2 3.75Å; C148-V204 HydrophobicContact CB-CB 4.14Å; C148-V204 HydrophobicContact CB-CG1 4.22Å; V151-V204 HydrophobicContact CB-CG2 4.05Å; V151-V204 HydrophobicContact CG1-CG2 3.76Å; V151-V204 HydrophobicContact CG2-CG2 4.49Å; V200-V204 HydrophobicContact CG1-CG2 4.48Å; V200-V204 WeakPolarHBondContact O-CG2 3.45Å; V200-V204 PolarHBondContact O-N 2.93Å; A201-V204 PolarHBondContact O-N 3.17Å; C202-V204 VanDerWaalsContact C-N 3.34Å; C202-V204 PolarHBondContact O-N 3.14Å; V204-L207 WeakPolarHBondContact O-CB 3.21Å; V204-L207 PolarHBondContact O-N 3.46Å; V204-H208 WeakPolarHBondContact CG1-NE2 3.23Å; V204-H208 PolarHBondContact O-CD2 2.93Å; V204-H208 PolarHBondContact O-N 2.82Å
205A97.1Very high96.4Very high43 Ų4335.3 Ų35.336%0.35518%0.175SC..Hα-helixtrans-63.2-46.117700000112.2C148 A201 C202 F203 L207 H208 L209C148-A205 PolarHBondContact SG-N 3.48Å; A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 3.31Å; C202-A205 PolarHBondContact O-N 2.99Å; F203-A205 PolarHBondContact O-N 3.11Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 2.95Å; A205-H208 PolarHBondContact O-N 2.78Å; A205-L209 VanDerWaalsContact O-CB 3.27Å; A205-L209 WeakPolarHBondContact O-CB 3.43Å; A205-L209 PolarHBondContact O-N 2.98Å
206F97.9Very high96.1Very high55 Ų5537.7 Ų37.724%0.24119%0.191CC..Hα-helixtrans-66.1-35.1175.8-83.4-72.7000112.1C202 F203 S210 A234 C237 V241C202-F206 HydrophobicContact CB-CD2 4.41Å; C202-F206 WeakPolarHBondContact O-CD2 3.42Å; C202-F206 PolarHBondContact O-N 2.82Å; F203-F206 PolarHBondContact O-N 3.47Å; F206-S210 VanDerWaalsContact O-CB 3.25Å; F206-S210 WeakPolarHBondContact O-CB 3.49Å; F206-S210 PolarHBondContact O-N 2.95Å; F206-S210 PolarHBondContact O-OG 3.3Å; F206-A234 HydrophobicContact CB-CB 4.05Å; F206-C237 HydrophobicContact CD1-CB 3.99Å; F206-C237 HydrophobicContact CD2-CB 3.72Å; F206-C237 HydrophobicContact CE1-CB 4.08Å; F206-C237 HydrophobicContact CE2-CB 3.84Å; F206-C237 HydrophobicContact CG-CB 3.82Å; F206-C237 HydrophobicContact CZ-CB 4.03Å; F206-V241 HydrophobicContact CE2-CB 3.86Å; F206-V241 HydrophobicContact CE2-CG1 3.98Å; F206-V241 HydrophobicContact CE2-CG2 3.85Å; F206-V241 HydrophobicContact CZ-CB 4.37Å; F206-V241 HydrophobicContact CZ-CG1 4.33Å; F206-V241 HydrophobicContact CZ-CG2 3.93Å
207L96.8Very high95.5Very high9 Ų943.6 Ų43.65%0.04723%0.229CC..Hα-helixtrans-61.4-51.1174.1-176.568.1000110.7L78 F203 V204 A205 L209 S210 Q211 A234L78-L207 HydrophobicContact CD1-CD2 3.5Å; F203-L207 WeakPolarHBondContact O-CB 3.49Å; F203-L207 PolarHBondContact O-N 3.24Å; V204-L207 WeakPolarHBondContact O-CB 3.21Å; V204-L207 PolarHBondContact O-N 3.46Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 2.95Å; L207-L209 PolarHBondContact O-N 3.19Å; L207-S210 PolarHBondContact O-OG 2.98Å; L207-S210 VanDerWaalsContact O-OG 3.05Å; L207-Q211 HydrophobicContact CD1-CG 4.43Å; L207-Q211 VanDerWaalsContact O-CB 3.3Å; L207-Q211 WeakPolarHBondContact O-CB 3.49Å; L207-Q211 WeakPolarHBondContact O-CG 3.46Å; L207-Q211 PolarHBondContact O-N 3.41Å; L207-A234 HydrophobicContact CB-CB 3.84Å; L207-A234 HydrophobicContact CD1-CB 4.29Å
208H95.3Very high94.9Very high17 Ų1749.9 Ų49.98%0.07926%0.263CS..Hα-helixtrans-64-42.5177.9-74.4-55000112.5E147 V204 A205 R212E147-H208 IonicContact OE1-CE1 2.76Å; E147-H208 PolarHBondContact OE1-CE1 2.78Å; E147-H208 IonicContact OE1-NE2 3.88Å; E147-H208 PolarHBondContact OE1-NE2 3.42Å; E147-H208 IonicContact OE2-CE1 3.36Å; E147-H208 IonicContact OE2-NE2 3.62Å; V204-H208 WeakPolarHBondContact CG1-NE2 3.23Å; V204-H208 PolarHBondContact O-CD2 2.93Å; V204-H208 PolarHBondContact O-N 2.82Å; A205-H208 PolarHBondContact O-N 2.78Å; H208-R212 WeakPolarHBondContact O-CB 3.48Å; H208-R212 WeakPolarHBondContact O-CD 3.37Å; H208-R212 WeakPolarHBondContact O-CG 3.3Å; H208-R212 PolarHBondContact O-N 3.4Å
209L96.2Very high94.4Very high92 Ų9251.9 Ų51.948%0.48227%0.271SS..Hα-helixtrans-62.1-51.2179.6179.161.7000111A205 L207 Q211 R212 L213A205-L209 VanDerWaalsContact O-CB 3.27Å; A205-L209 WeakPolarHBondContact O-CB 3.43Å; A205-L209 PolarHBondContact O-N 2.98Å; L207-L209 PolarHBondContact O-N 3.19Å; L209-Q211 PolarHBondContact O-N 3.39Å; L209-R212 PolarHBondContact O-N 3.45Å; L209-L213 HydrophobicContact CD1-CD1 3.86Å; L209-L213 HydrophobicContact CD1-CG 4.26Å; L209-L213 HydrophobicContact CG-CD1 3.98Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 2.76Å; L209-L213 VanDerWaalsContact O-N 3.07Å
210S96.2Very high94Very high6 Ų654.6 Ų54.64%0.04229%0.285CS..Hα-helixtrans-63.5-42.1179.858.40000112.1F206 L207 R212 L213 L214 C230F206-S210 VanDerWaalsContact O-CB 3.25Å; F206-S210 WeakPolarHBondContact O-CB 3.49Å; F206-S210 PolarHBondContact O-N 2.95Å; F206-S210 PolarHBondContact O-OG 3.3Å; L207-S210 PolarHBondContact O-OG 2.98Å; L207-S210 VanDerWaalsContact O-OG 3.05Å; S210-R212 PolarHBondContact O-N 3.26Å; S210-L213 PolarHBondContact O-N 3.01Å; S210-L214 WeakPolarHBondContact O-CB 3.31Å; S210-L214 PolarHBondContact O-N 2.95Å; S210-C230 WeakPolarHBondContact OG-CB 3.16Å; S210-C230 PolarHBondContact OG-O 3.48Å
211Q94.4Very high93.5Very high37 Ų3762.7 Ų62.717%0.17332%0.316CS..Hα-helixtrans-62.5-43.2175.9-73.7177.3-19.200112.2L207 L209 L213 L215 C230L207-Q211 HydrophobicContact CD1-CG 4.43Å; L207-Q211 VanDerWaalsContact O-CB 3.3Å; L207-Q211 WeakPolarHBondContact O-CB 3.49Å; L207-Q211 WeakPolarHBondContact O-CG 3.46Å; L207-Q211 PolarHBondContact O-N 3.41Å; L209-Q211 PolarHBondContact O-N 3.39Å; Q211-L213 VanDerWaalsContact C-N 3.27Å; Q211-L213 PolarHBondContact O-N 2.87Å; Q211-L215 HydrophobicContact CB-CD1 4.37Å; Q211-L215 HydrophobicContact CG-CD1 3.95Å; Q211-L215 WeakPolarHBondContact O-CA 3.48Å; Q211-L215 WeakPolarHBondContact O-CB 3.17Å; Q211-L215 PolarHBondContact O-N 3.35Å; Q211-L215 VanDerWaalsContact O-O 3.1Å; Q211-C230 HydrophobicContact CG-CB 4.16Å
212R93.7Very high93.4Very high160 Ų16069.1 Ų69.160%0.60434%0.342SS*.Hα-helixtrans-63.4-33.8176.9-74.7170.3-179.2-160.6-2.6112.8S144 H208 L209 S210S144-R212 VanDerWaalsContact CB-NH2 3.28Å; S144-R212 PolarHBondContact OG-NH2 3.07Å; H208-R212 WeakPolarHBondContact O-CB 3.48Å; H208-R212 WeakPolarHBondContact O-CD 3.37Å; H208-R212 WeakPolarHBondContact O-CG 3.3Å; H208-R212 PolarHBondContact O-N 3.4Å; L209-R212 PolarHBondContact O-N 3.45Å; S210-R212 PolarHBondContact O-N 3.26Å
213L95.4Very high93.2Very high129 Ų12970.3 Ų70.368%0.67535%0.347SS*.Hα-helixtrans-82.5-35-177.7-68.2173.7000113.2L209 S210 Q211L209-L213 HydrophobicContact CD1-CD1 3.86Å; L209-L213 HydrophobicContact CD1-CG 4.26Å; L209-L213 HydrophobicContact CG-CD1 3.98Å; L209-L213 VanDerWaalsContact O-CG 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 2.76Å; L209-L213 VanDerWaalsContact O-N 3.07Å; S210-L213 PolarHBondContact O-N 3.01Å; Q211-L213 VanDerWaalsContact C-N 3.27Å; Q211-L213 PolarHBondContact O-N 2.87Å
214L94.8Very high93Very high85 Ų8575.3 Ų75.345%0.44537%0.369SS..Hα-helixtrans-112.6-15.5-166.9-60.9177.3000114.4S210S210-L214 WeakPolarHBondContact O-CB 3.31Å; S210-L214 PolarHBondContact O-N 2.95Å
215L93.6Very high92.8Very high16 Ų1678.2 Ų78.28%0.08439%0.393CS..SBendtrans-129147.1-170-67.7163.7000112.6Q211 L223 R226 E227 C230Q211-L215 HydrophobicContact CB-CD1 4.37Å; Q211-L215 HydrophobicContact CG-CD1 3.95Å; Q211-L215 WeakPolarHBondContact O-CA 3.48Å; Q211-L215 WeakPolarHBondContact O-CB 3.17Å; Q211-L215 PolarHBondContact O-N 3.35Å; Q211-L215 VanDerWaalsContact O-O 3.1Å; L215-L223 HydrophobicContact CD2-CB 4.06Å; L215-L223 HydrophobicContact CD2-CD1 4.44Å; L215-R226 HydrophobicContact CD2-CB 3.61Å; L215-R226 HydrophobicContact CG-CB 4.33Å; L215-E227 HydrophobicContact CD1-CB 4.46Å; L215-E227 HydrophobicContact CD1-CG 3.95Å; L215-E227 WeakPolarHBondContact CD1-OE2 3.08Å; L215-E227 HydrophobicContact CD2-CG 3.94Å; L215-C230 HydrophobicContact CD1-CB 4.3Å
216P89.3Confident92.8Very high53 Ų5382.6 Ų82.634%0.34440%0.401SS..  trans-67.8157169.827.9-32000111.3R74 L218 L223R74-P216 PolarHBondContact NH2-O 3.41Å; P216-L218 VanDerWaalsContact C-N 3.26Å; P216-L218 PolarHBondContact O-N 2.93Å; P216-L223 HydrophobicContact CG-CD1 3.96Å
217P84.1Confident92.6Very high126 Ų12680.1 Ų80.182%0.81839%0.389SS*.SBendtrans-56.5-40.8178.2-25.533.6000113R74R74-P217 PolarHBondContact NH1-O 3.3Å
218L85.2Confident92.6Very high143 Ų14381.5 Ų81.575%0.74940%0.397SS*.SBendtrans-84.8137.7176.9-62.8176.6000110.6P216 N220P216-L218 VanDerWaalsContact C-N 3.26Å; P216-L218 PolarHBondContact O-N 2.93Å; L218-N220 PolarHBondContact O-N 3.5Å
219Y85.8Confident92.7Very high94 Ų9483.2 Ų83.237%0.36941%0.413SS..  trans-61.1132.2176173.3-108.8000110.9R74 Y77 W221 E227R74-Y219 HydrophobicContact CG-CD2 3.68Å; R74-Y219 HydrophobicContact CG-CE2 4.22Å; R74-Y219 HydrophobicContact CG-CG 4.37Å; Y77-Y219 HydrophobicContact CE2-CE2 4.11Å; Y219-W221 HydrophobicContact CE1-CB 4.06Å; Y219-E227 HydrophobicContact CE2-CG 4.32Å
220N89Confident92.7Very high59 Ų5978.8 Ų78.832%0.31639%0.391SS..  trans-129112.8173.8-176.5-8.5000109.2L218 K222 L223L218-N220 PolarHBondContact O-N 3.5Å; N220-K222 PolarHBondContact O-N 3.34Å; N220-K222 VanDerWaalsContact O-N 3.16Å; N220-K222 WeakPolarHBondContact OD1-CB 3.25Å; N220-K222 PolarHBondContact OD1-N 2.98Å; N220-L223 HydrophobicContact CB-CD1 4.31Å; N220-L223 HydrophobicContact CB-CG 4.36Å; N220-L223 PolarHBondContact O-N 3.19Å
221W88.6Confident92.8Very high170 Ų17078.7 Ų78.764%0.64439%0.389SS*.G310 helixtrans-59.7-27.1-178.671.1-96.2000113Y219 L223 F224Y219-W221 HydrophobicContact CE1-CB 4.06Å; W221-L223 PolarHBondContact O-N 3Å; W221-F224 WeakPolarHBondContact O-CB 3.47Å; W221-F224 WeakPolarHBondContact O-CD1 3.37Å; W221-F224 PolarHBondContact O-N 3.31Å
222K93.6Very high92.9Very high144 Ų14482.4 Ų82.463%0.62640%0.402SS*.G310 helixtrans-65.5-20.2176.2-62-175.2178.4-177.40112.7N220N220-K222 PolarHBondContact O-N 3.34Å; N220-K222 VanDerWaalsContact O-N 3.16Å; N220-K222 WeakPolarHBondContact OD1-CB 3.25Å; N220-K222 PolarHBondContact OD1-N 2.98Å
223L93.4Very high93.2Very high39 Ų3978.8 Ų78.820%0.20439%0.394CS..G310 helixtrans-100.620.8178.6-59.1179.3000112.5L215 P216 N220 W221 A225 R226 E227L215-L223 HydrophobicContact CD2-CB 4.06Å; L215-L223 HydrophobicContact CD2-CD1 4.44Å; P216-L223 HydrophobicContact CG-CD1 3.96Å; N220-L223 HydrophobicContact CB-CD1 4.31Å; N220-L223 HydrophobicContact CB-CG 4.36Å; N220-L223 PolarHBondContact O-N 3.19Å; W221-L223 PolarHBondContact O-N 3Å; L223-A225 PolarHBondContact O-N 2.81Å; L223-A225 VanDerWaalsContact O-N 3.14Å; L223-R226 WeakPolarHBondContact O-CB 3.43Å; L223-R226 PolarHBondContact O-N 3.22Å; L223-E227 PolarHBondContact O-N 2.9Å; L223-E227 VanDerWaalsContact O-N 3.11Å
224F94.1Very high93.3Very high105 Ų10572.6 Ų72.646%0.46136%0.362SS..Hα-helixtrans-53.8-36.5-177.877.5-84.6000113.4Y77 W221 R226 E227 I228Y77-F224 WeakPolarHBondContact OH-CB 3.48Å; W221-F224 WeakPolarHBondContact O-CB 3.47Å; W221-F224 WeakPolarHBondContact O-CD1 3.37Å; W221-F224 PolarHBondContact O-N 3.31Å; F224-R226 VanDerWaalsContact C-N 3.29Å; F224-R226 PolarHBondContact O-N 3.42Å; F224-E227 WeakPolarHBondContact O-CB 3.29Å; F224-E227 PolarHBondContact O-N 2.96Å; F224-E227 VanDerWaalsContact O-N 3.17Å; F224-I228 HydrophobicContact CD2-CD1 3.93Å; F224-I228 HydrophobicContact CE2-CD1 4.43Å; F224-I228 WeakPolarHBondContact O-CG1 3.41Å; F224-I228 PolarHBondContact O-N 3.49Å
225A95.1Very high93.5Very high60 Ų6068.6 Ų68.650%0.49634%0.341SS..Hα-helixtrans-62.4-36.7177.600000112.1L223 A229L223-A225 PolarHBondContact O-N 2.81Å; L223-A225 VanDerWaalsContact O-N 3.14Å; A225-A229 WeakPolarHBondContact O-CB 3.48Å; A225-A229 PolarHBondContact O-N 3.46Å
226R95.8Very high93.7Very high136 Ų13670.4 Ų70.451%0.51335%0.353SS..Hα-helixtrans-71.9-36.7174.9-64-175.5-172.9-179.31.3111.5L215 L223 F224 A229 C230L215-R226 HydrophobicContact CD2-CB 3.61Å; L215-R226 HydrophobicContact CG-CB 4.33Å; L223-R226 WeakPolarHBondContact O-CB 3.43Å; L223-R226 PolarHBondContact O-N 3.22Å; F224-R226 VanDerWaalsContact C-N 3.29Å; F224-R226 PolarHBondContact O-N 3.42Å; R226-A229 PolarHBondContact O-N 2.67Å; R226-C230 PolarHBondContact O-N 2.79Å; R226-C230 PolarHBondContact O-SG 3.46Å
227E94.7Very high94.1Very high2 Ų269.3 Ų69.31%0.00935%0.346CS..Hα-helixtrans-60.1-47.9172.9-66.5-82-174.300111.3R74 Y77 L215 Y219 L223 F224 C230 C231R74-E227 IonicContact CZ-OE1 2.94Å; R74-E227 VanDerWaalsContact CZ-OE1 3.27Å; R74-E227 IonicContact NE-OE1 3.72Å; R74-E227 PolarHBondContact NE-OE1 3.02Å; R74-E227 IonicContact NE-OE2 3.34Å; R74-E227 PolarHBondContact NE-OE2 3.39Å; R74-E227 IonicContact NH2-OE1 3.64Å; R74-E227 PolarHBondContact NH2-OE1 2.91Å; Y77-E227 HydrophobicContact CD2-CB 3.82Å; Y77-E227 HydrophobicContact CE2-CB 4.09Å; Y77-E227 HydrophobicContact CG-CB 4.45Å; L215-E227 HydrophobicContact CD1-CB 4.46Å; L215-E227 HydrophobicContact CD1-CG 3.95Å; L215-E227 WeakPolarHBondContact CD1-OE2 3.08Å; L215-E227 HydrophobicContact CD2-CG 3.94Å; Y219-E227 HydrophobicContact CE2-CG 4.32Å; L223-E227 PolarHBondContact O-N 2.9Å; L223-E227 VanDerWaalsContact O-N 3.11Å; F224-E227 WeakPolarHBondContact O-CB 3.29Å; F224-E227 PolarHBondContact O-N 2.96Å; F224-E227 VanDerWaalsContact O-N 3.17Å; E227-C230 PolarHBondContact O-N 3.49Å; E227-C231 VanDerWaalsContact O-CB 3.3Å; E227-C231 WeakPolarHBondContact O-CB 3.39Å; E227-C231 PolarHBondContact O-N 3.27Å; E227-C231 PolarHBondContact O-SG 2.95Å
228I96Very high94.8Very high39 Ų3963.3 Ų63.320%0.231%0.307CS..Hα-helixtrans-60.6-46.4174.9-67171.1000110.5Y77 F224 C230 C231 W232Y77-I228 HydrophobicContact CD1-CD1 4.17Å; Y77-I228 HydrophobicContact CD1-CG1 3.53Å; Y77-I228 HydrophobicContact CE1-CD1 3.99Å; Y77-I228 HydrophobicContact CE1-CG1 3.78Å; Y77-I228 HydrophobicContact CG-CG1 4.26Å; F224-I228 HydrophobicContact CD2-CD1 3.93Å; F224-I228 HydrophobicContact CE2-CD1 4.43Å; F224-I228 WeakPolarHBondContact O-CG1 3.41Å; F224-I228 PolarHBondContact O-N 3.49Å; I228-C230 PolarHBondContact O-N 3.26Å; I228-C231 WeakPolarHBondContact O-CB 3.14Å; I228-C231 PolarHBondContact O-N 3.19Å; I228-W232 HydrophobicContact CG2-CD2 3.84Å; I228-W232 HydrophobicContact CG2-CE3 4.43Å; I228-W232 HydrophobicContact CG2-CG 4.12Å; I228-W232 HydrophobicContact CG2-CZ2 3.94Å; I228-W232 WeakPolarHBondContact O-CB 3.37Å; I228-W232 PolarHBondContact O-N 3.37Å
229A97Very high95.3Very high52 Ų5256.5 Ų56.543%0.4327%0.271SS..Hα-helixtrans-60.6-43.4179.500000112.7A225 R226 C231 W232 L233A225-A229 WeakPolarHBondContact O-CB 3.48Å; A225-A229 PolarHBondContact O-N 3.46Å; R226-A229 PolarHBondContact O-N 2.67Å; A229-C231 VanDerWaalsContact C-N 3.35Å; A229-W232 PolarHBondContact O-N 2.86Å; A229-L233 WeakPolarHBondContact O-CB 3.35Å; A229-L233 PolarHBondContact O-N 3.45Å
230C97.3Very high95.8Very high0 Ų054.1 Ų54.10%026%0.264CS..Hα-helixtrans-60.8-46175-66.80000111.4S210 Q211 L215 R226 E227 I228 A234S210-C230 WeakPolarHBondContact OG-CB 3.16Å; S210-C230 PolarHBondContact OG-O 3.48Å; Q211-C230 HydrophobicContact CG-CB 4.16Å; L215-C230 HydrophobicContact CD1-CB 4.3Å; R226-C230 PolarHBondContact O-N 2.79Å; R226-C230 PolarHBondContact O-SG 3.46Å; E227-C230 PolarHBondContact O-N 3.49Å; I228-C230 PolarHBondContact O-N 3.26Å; C230-A234 WeakPolarHBondContact O-CB 3.46Å; C230-A234 PolarHBondContact O-N 3.27Å
231C97.3Very high96.2Very high3 Ų353.4 Ų53.42%0.0226%0.262CS..Hα-helixtrans-62.4-45.6179.1-75.80000112.3S81 E227 I228 A229 A234 A235S81-C231 WeakPolarHBondContact CB-O 3.3Å; E227-C231 VanDerWaalsContact O-CB 3.3Å; E227-C231 WeakPolarHBondContact O-CB 3.39Å; E227-C231 PolarHBondContact O-N 3.27Å; E227-C231 PolarHBondContact O-SG 2.95Å; I228-C231 WeakPolarHBondContact O-CB 3.14Å; I228-C231 PolarHBondContact O-N 3.19Å; A229-C231 VanDerWaalsContact C-N 3.35Å; C231-A234 PolarHBondContact O-N 2.8Å; C231-A235 WeakPolarHBondContact O-CB 3.47Å; C231-A235 PolarHBondContact O-N 2.81Å
232W98Very high96.5Very high116 Ų11645.3 Ų45.344%0.43923%0.231SC..Hα-helixtrans-72.4-38.2179.3-72.513.9000112.3Q80 L84 I228 A229 A234 A235 V236Q80-W232 VanDerWaalsContact OE1-NE1 3.15Å; L84-W232 HydrophobicContact CD2-CB 4.03Å; L84-W232 HydrophobicContact CD2-CD2 4.16Å; L84-W232 HydrophobicContact CD2-CG 3.77Å; I228-W232 HydrophobicContact CG2-CD2 3.84Å; I228-W232 HydrophobicContact CG2-CE3 4.43Å; I228-W232 HydrophobicContact CG2-CG 4.12Å; I228-W232 HydrophobicContact CG2-CZ2 3.94Å; I228-W232 WeakPolarHBondContact O-CB 3.37Å; I228-W232 PolarHBondContact O-N 3.37Å; A229-W232 PolarHBondContact O-N 2.86Å; W232-A234 VanDerWaalsContact C-N 3.3Å; W232-A234 PolarHBondContact O-N 3.41Å; W232-A235 PolarHBondContact O-N 3.49Å; W232-V236 WeakPolarHBondContact O-CG2 3.23Å; W232-V236 PolarHBondContact O-N 3.28Å
233L98.1Very high96.6Very high83 Ų8338.5 Ų38.544%0.43520%0.202SC..Hα-helixtrans-58-46.5172.4179.565.4000110.5A229 V236 C237A229-L233 WeakPolarHBondContact O-CB 3.35Å; A229-L233 PolarHBondContact O-N 3.45Å; L233-V236 PolarHBondContact O-N 2.89Å; L233-C237 VanDerWaalsContact O-CB 3.27Å; L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.21Å; L233-C237 PolarHBondContact O-SG 3.14Å; L233-C237 VanDerWaalsContact O-SG 3.41Å
234A98.3Very high96.6Very high0 Ų038.1 Ų38.10%020%0.2CC..Hα-helixtrans-60.6-46.2174.800000111.9F203 F206 L207 C230 C231 W232 V236 C237 G238F203-A234 HydrophobicContact CD2-CB 3.9Å; F203-A234 WeakPolarHBondContact CD2-O 3.41Å; F203-A234 HydrophobicContact CE2-CB 3.99Å; F206-A234 HydrophobicContact CB-CB 4.05Å; L207-A234 HydrophobicContact CB-CB 3.84Å; L207-A234 HydrophobicContact CD1-CB 4.29Å; C230-A234 WeakPolarHBondContact O-CB 3.46Å; C230-A234 PolarHBondContact O-N 3.27Å; C231-A234 PolarHBondContact O-N 2.8Å; W232-A234 VanDerWaalsContact C-N 3.3Å; W232-A234 PolarHBondContact O-N 3.41Å; A234-V236 VanDerWaalsContact C-N 3.29Å; A234-V236 PolarHBondContact O-N 2.93Å; A234-C237 PolarHBondContact O-N 2.87Å; A234-G238 WeakPolarHBondContact O-CA 3.21Å; A234-G238 PolarHBondContact O-N 3.45Å
235A98.4Very high96.5Very high0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-60.9-34.7-179.800000113.4S81 L84 F85 F203 C231 W232 P239S81-A235 VanDerWaalsContact O-CB 3.25Å; S81-A235 WeakPolarHBondContact O-CB 3.32Å; L84-A235 HydrophobicContact CB-CB 3.94Å; L84-A235 HydrophobicContact CD2-CB 3.95Å; L84-A235 HydrophobicContact CG-CB 3.92Å; F85-A235 HydrophobicContact CB-CB 4.24Å; F203-A235 HydrophobicContact CE2-CB 4.27Å; C231-A235 WeakPolarHBondContact O-CB 3.47Å; C231-A235 PolarHBondContact O-N 2.81Å; W232-A235 PolarHBondContact O-N 3.49Å; A235-P239 WeakPolarHBondContact O-CD 3.13Å; A235-P239 WeakPolarHBondContact O-CG 3.28Å
236V98.3Very high96.5Very high55 Ų5533.2 Ų33.233%0.33317%0.17SC..Hα-helixtrans-81-50.5176.6175.40000111.1I88 W232 L233 A234 P239 L240I88-V236 HydrophobicContact CD1-CG2 4.46Å; I88-V236 HydrophobicContact CG1-CG2 4.2Å; W232-V236 WeakPolarHBondContact O-CG2 3.23Å; W232-V236 PolarHBondContact O-N 3.28Å; L233-V236 PolarHBondContact O-N 2.89Å; A234-V236 VanDerWaalsContact C-N 3.29Å; A234-V236 PolarHBondContact O-N 2.93Å; V236-P239 WeakPolarHBondContact O-CD 3.36Å; V236-L240 HydrophobicContact CG1-CD1 3.9Å; V236-L240 WeakPolarHBondContact O-CD1 3.4Å; V236-L240 VanDerWaalsContact O-CG 3.24Å; V236-L240 WeakPolarHBondContact O-CG 3.19Å
237C98.1Very high96.3Very high29 Ų2926.8 Ų26.820%0.19615%0.145CC..Hα-helixtrans-70.1-34.6-176-690000112.9F206 L233 A234 L240 V241F206-C237 HydrophobicContact CD1-CB 3.99Å; F206-C237 HydrophobicContact CD2-CB 3.72Å; F206-C237 HydrophobicContact CE1-CB 4.08Å; F206-C237 HydrophobicContact CE2-CB 3.84Å; F206-C237 HydrophobicContact CG-CB 3.82Å; F206-C237 HydrophobicContact CZ-CB 4.03Å; L233-C237 VanDerWaalsContact O-CB 3.27Å; L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.21Å; L233-C237 PolarHBondContact O-SG 3.14Å; L233-C237 VanDerWaalsContact O-SG 3.41Å; A234-C237 PolarHBondContact O-N 2.87Å; C237-L240 PolarHBondContact O-N 2.8Å; C237-V241 HydrophobicContact CB-CG2 4.42Å; C237-V241 WeakPolarHBondContact O-CB 3.37Å; C237-V241 VanDerWaalsContact O-CG2 3.31Å; C237-V241 WeakPolarHBondContact O-CG2 3.41Å; C237-V241 PolarHBondContact O-N 2.83Å
238G98Very high96.1Very high0 Ų028.3 Ų28.30%015%0.154CC..Hα-helixtrans-50.8-62.9-178.800000114.1S199 C202 A234 G242S199-G238 CarbonylContact O-C 3.56Å; C202-G238 WeakPolarHBondContact CB-O 3.41Å; A234-G238 WeakPolarHBondContact O-CA 3.21Å; A234-G238 PolarHBondContact O-N 3.45Å; G238-G242 WeakPolarHBondContact O-CA 3.27Å; G238-G242 PolarHBondContact O-N 2.99Å
239P97.3Very high95.8Very high1 Ų126.9 Ų26.91%0.00615%0.148CC..Hα-helixtrans-68.6-37.3-179.126.8-32.6000112.5F85 I88 R89 A235 V236 Y243F85-P239 HydrophobicContact CD2-CG 4.17Å; F85-P239 HydrophobicContact CE2-CB 4.16Å; F85-P239 HydrophobicContact CE2-CG 4.25Å; I88-P239 HydrophobicContact CB-CG 3.99Å; I88-P239 HydrophobicContact CG2-CG 3.64Å; R89-P239 HydrophobicContact CB-CB 3.87Å; R89-P239 HydrophobicContact CG-CB 4.33Å; A235-P239 WeakPolarHBondContact O-CD 3.13Å; A235-P239 WeakPolarHBondContact O-CG 3.28Å; V236-P239 WeakPolarHBondContact O-CD 3.36Å; P239-Y243 VanDerWaalsContact O-CB 3.26Å; P239-Y243 WeakPolarHBondContact O-CB 3.17Å; P239-Y243 PolarHBondContact O-N 3.41Å
240L96.3Very high95.6Very high43 Ų4324.8 Ų24.823%0.22513%0.129CC..Hα-helixtrans-68.3-50.7-178.5-61179.6000112.1I88 L96 F97 V236 C237 L244I88-L240 HydrophobicContact CG2-CD2 4.22Å; I88-L240 HydrophobicContact CG2-CG 4.18Å; L96-L240 HydrophobicContact CD1-CD2 3.91Å; F97-L240 HydrophobicContact CE2-CD2 3.7Å; F97-L240 HydrophobicContact CZ-CB 4.36Å; F97-L240 HydrophobicContact CZ-CD2 3.7Å; V236-L240 HydrophobicContact CG1-CD1 3.9Å; V236-L240 WeakPolarHBondContact O-CD1 3.4Å; V236-L240 VanDerWaalsContact O-CG 3.24Å; V236-L240 WeakPolarHBondContact O-CG 3.19Å; C237-L240 PolarHBondContact O-N 2.8Å; L240-L244 WeakPolarHBondContact O-CG 3.4Å; L240-L244 PolarHBondContact O-N 2.86Å; L240-L244 VanDerWaalsContact O-N 3.11Å
241V96.1Very high95.2Very high44 Ų4424.9 Ų24.927%0.26713%0.129SC..Hα-helixtrans-71.4-37.4178.5178.70000110.4F206 C237 Y243 L244 L245F206-V241 HydrophobicContact CE2-CB 3.86Å; F206-V241 HydrophobicContact CE2-CG1 3.98Å; F206-V241 HydrophobicContact CE2-CG2 3.85Å; F206-V241 HydrophobicContact CZ-CB 4.37Å; F206-V241 HydrophobicContact CZ-CG1 4.33Å; F206-V241 HydrophobicContact CZ-CG2 3.93Å; C237-V241 HydrophobicContact CB-CG2 4.42Å; C237-V241 WeakPolarHBondContact O-CB 3.37Å; C237-V241 VanDerWaalsContact O-CG2 3.31Å; C237-V241 WeakPolarHBondContact O-CG2 3.41Å; C237-V241 PolarHBondContact O-N 2.83Å; V241-Y243 VanDerWaalsContact C-N 3.33Å; V241-Y243 PolarHBondContact O-N 3.44Å; V241-L244 PolarHBondContact O-N 3.46Å; V241-L245 HydrophobicContact CG1-CD1 3.89Å; V241-L245 HydrophobicContact CG1-CG 4.06Å; V241-L245 WeakPolarHBondContact O-CB 3.32Å; V241-L245 VanDerWaalsContact O-CG 3.29Å; V241-L245 WeakPolarHBondContact O-CG 3.46Å; V241-L245 PolarHBondContact O-N 3.4Å
242G96.1Very high94.8Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-59.4-43.1175.200000112.4G238 F246G238-G242 WeakPolarHBondContact O-CA 3.27Å; G238-G242 PolarHBondContact O-N 2.99Å; G242-F246 VanDerWaalsContact O-CB 3.28Å; G242-F246 WeakPolarHBondContact O-CB 3.3Å; G242-F246 PolarHBondContact O-N 2.96Å
243Y94.7Very high94.4Very high2 Ų222.6 Ų22.61%0.00813%0.126CC..Hα-helixtrans-61.8-50.7172.9172.7-90.3000112.2F97 N99 A100 F180 L195 P239 V241 L245 F246 E247F97-Y243 HydrophobicContact CB-CD1 4.21Å; F97-Y243 HydrophobicContact CB-CE1 3.72Å; F97-Y243 HydrophobicContact CB-CE2 4.15Å; F97-Y243 AromaticContact CD1-CD1 3.53Å; F97-Y243 HydrophobicContact CD1-CD1 3.53Å; F97-Y243 AromaticContact CD1-CE1 3.41Å; F97-Y243 HydrophobicContact CD1-CE1 3.41Å; F97-Y243 VanDerWaalsContact CD1-CE1 3.41Å; F97-Y243 HydrophobicContact CD1-CG 4.48Å; F97-Y243 AromaticContact CD2-CD1 3.45Å; F97-Y243 HydrophobicContact CD2-CD1 3.45Å; F97-Y243 VanDerWaalsContact CD2-CD1 3.45Å; F97-Y243 HydrophobicContact CD2-CD2 4.09Å; F97-Y243 AromaticContact CD2-CE1 3.88Å; F97-Y243 HydrophobicContact CD2-CE1 3.88Å; F97-Y243 HydrophobicContact CD2-CE2 4.46Å; F97-Y243 AromaticContact CD2-CG 3.59Å; F97-Y243 HydrophobicContact CD2-CG 3.59Å; F97-Y243 AromaticContact CE1-CD1 3.62Å; F97-Y243 HydrophobicContact CE1-CD1 3.62Å; F97-Y243 AromaticContact CE1-CE1 3.92Å; F97-Y243 HydrophobicContact CE1-CE1 3.92Å; F97-Y243 AromaticContact CE2-CD1 3.52Å; F97-Y243 HydrophobicContact CE2-CD1 3.52Å; F97-Y243 HydrophobicContact CE2-CE1 4.32Å; F97-Y243 AromaticContact CE2-CG 3.7Å; F97-Y243 HydrophobicContact CE2-CG 3.7Å; F97-Y243 AromaticContact CG-CD1 3.45Å; F97-Y243 HydrophobicContact CG-CD1 3.45Å; F97-Y243 VanDerWaalsContact CG-CD1 3.45Å; F97-Y243 HydrophobicContact CG-CD2 4.42Å; F97-Y243 AromaticContact CG-CE1 3.39Å; F97-Y243 HydrophobicContact CG-CE1 3.39Å; F97-Y243 HydrophobicContact CG-CE2 4.37Å; F97-Y243 HydrophobicContact CG-CG 4.01Å; F97-Y243 AromaticContact CG-CZ 3.89Å; F97-Y243 AromaticContact CZ-CD1 3.6Å; F97-Y243 HydrophobicContact CZ-CD1 3.6Å; F97-Y243 HydrophobicContact CZ-CE1 4.34Å; F97-Y243 HydrophobicContact CZ-CG 4.21Å; N99-Y243 WeakPolarHBondContact CB-OH 3.15Å; A100-Y243 HydrophobicContact CB-CD2 4.13Å; A100-Y243 HydrophobicContact CB-CE2 3.59Å; F180-Y243 HydrophobicContact CE2-CE2 4.46Å; L195-Y243 HydrophobicContact CD1-CD2 3.81Å; L195-Y243 HydrophobicContact CD1-CG 4.35Å; L195-Y243 HydrophobicContact CD2-CD2 4.16Å; P239-Y243 VanDerWaalsContact O-CB 3.26Å; P239-Y243 WeakPolarHBondContact O-CB 3.17Å; P239-Y243 PolarHBondContact O-N 3.41Å; V241-Y243 VanDerWaalsContact C-N 3.33Å; V241-Y243 PolarHBondContact O-N 3.44Å; Y243-L245 VanDerWaalsContact C-N 3.32Å; Y243-L245 PolarHBondContact O-N 3.07Å; Y243-F246 WeakPolarHBondContact O-CB 3.04Å; Y243-F246 PolarHBondContact O-N 3.34Å; Y243-E247 HydrophobicContact CE1-CB 4.38Å; Y243-E247 WeakPolarHBondContact CE1-OE2 3.35Å; Y243-E247 PolarHBondContact O-N 2.95Å; Y243-E247 PolarHBondContact OH-OE2 2.94Å
244L93.4Very high93.9Very high31 Ų3122.5 Ų22.516%0.16212%0.123CC..Hα-helixtrans-59.4-44.7-179.6-71.1172.6000111.5F97 L240 V241 E247 N248 M340 L342F97-L244 HydrophobicContact CE1-CD2 4.31Å; L240-L244 WeakPolarHBondContact O-CG 3.4Å; L240-L244 PolarHBondContact O-N 2.86Å; L240-L244 VanDerWaalsContact O-N 3.11Å; V241-L244 PolarHBondContact O-N 3.46Å; L244-E247 PolarHBondContact O-N 3.35Å; L244-N248 WeakPolarHBondContact O-CB 3.4Å; L244-N248 PolarHBondContact O-N 3.48Å; L244-N248 PolarHBondContact O-ND2 3.22Å; L244-M340 HydrophobicContact CD2-CB 4.19Å; L244-M340 HydrophobicContact CD2-CG 3.81Å; L244-M340 HydrophobicContact CD2-SD 3.73Å; L244-L342 HydrophobicContact CB-CG 4.46Å; L244-L342 HydrophobicContact CD1-CD2 4.01Å
245L93.2Very high93.2Very high61 Ų6128.8 Ų28.832%0.31915%0.146SC..Hα-helixtrans-64.7-42.1177.7-72.7177.7000112.1W198 V241 Y243 A249W198-L245 HydrophobicContact CE3-CB 3.4Å; W198-L245 HydrophobicContact CE3-CD1 4.09Å; W198-L245 HydrophobicContact CE3-CG 4.38Å; W198-L245 HydrophobicContact CZ3-CB 3.47Å; W198-L245 VanDerWaalsContact CZ3-CB 3.47Å; W198-L245 HydrophobicContact CZ3-CD1 4.09Å; W198-L245 HydrophobicContact CZ3-CG 4.28Å; V241-L245 HydrophobicContact CG1-CD1 3.89Å; V241-L245 HydrophobicContact CG1-CG 4.06Å; V241-L245 WeakPolarHBondContact O-CB 3.32Å; V241-L245 VanDerWaalsContact O-CG 3.29Å; V241-L245 WeakPolarHBondContact O-CG 3.46Å; V241-L245 PolarHBondContact O-N 3.4Å; Y243-L245 VanDerWaalsContact C-N 3.32Å; Y243-L245 PolarHBondContact O-N 3.07Å; L245-A249 VanDerWaalsContact O-CB 3.23Å; L245-A249 WeakPolarHBondContact O-CB 3.41Å; L245-A249 PolarHBondContact O-N 2.96Å
246F94Very high92.8Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-58.9-50.9174.3164.1-96.2000111.6F180 V194 L195 W198 G242 Y243 N248 A249 F250 V264F180-F246 HydrophobicContact CD1-CE1 4.12Å; F180-F246 HydrophobicContact CD1-CZ 4.21Å; F180-F246 HydrophobicContact CD2-CE1 4.08Å; F180-F246 AromaticContact CE1-CE1 3.91Å; F180-F246 HydrophobicContact CE1-CE1 3.91Å; F180-F246 HydrophobicContact CE1-CZ 4.32Å; F180-F246 AromaticContact CE2-CE1 3.86Å; F180-F246 HydrophobicContact CE2-CE1 3.86Å; F180-F246 HydrophobicContact CG-CE1 4.23Å; F180-F246 HydrophobicContact CG-CZ 4.43Å; F180-F246 AromaticContact CZ-CE1 3.78Å; F180-F246 HydrophobicContact CZ-CE1 3.78Å; V194-F246 HydrophobicContact CB-CD2 4.34Å; V194-F246 HydrophobicContact CB-CE2 4.17Å; V194-F246 HydrophobicContact CG1-CD2 3.94Å; V194-F246 HydrophobicContact CG1-CE2 4.14Å; L195-F246 HydrophobicContact CB-CD1 4.11Å; L195-F246 HydrophobicContact CB-CD2 4.24Å; L195-F246 HydrophobicContact CB-CE1 4.37Å; L195-F246 HydrophobicContact CB-CE2 4.48Å; L195-F246 HydrophobicContact CB-CG 4.07Å; L195-F246 HydrophobicContact CD1-CB 3.89Å; L195-F246 HydrophobicContact CD1-CD1 3.81Å; L195-F246 HydrophobicContact CD1-CG 3.91Å; L195-F246 HydrophobicContact CG-CD1 4.38Å; W198-F246 HydrophobicContact CB-CB 4.45Å; W198-F246 HydrophobicContact CG-CB 4.45Å; G242-F246 VanDerWaalsContact O-CB 3.28Å; G242-F246 WeakPolarHBondContact O-CB 3.3Å; G242-F246 PolarHBondContact O-N 2.96Å; Y243-F246 WeakPolarHBondContact O-CB 3.04Å; Y243-F246 PolarHBondContact O-N 3.34Å; F246-N248 PolarHBondContact O-N 3.2Å; F246-A249 PolarHBondContact O-N 2.91Å; F246-F250 HydrophobicContact CZ-CB 4.37Å; F246-F250 HydrophobicContact CZ-CD2 4.13Å; F246-F250 WeakPolarHBondContact O-CB 3.37Å; F246-F250 PolarHBondContact O-N 2.91Å; F246-V264 HydrophobicContact CD2-CG2 4.12Å; F246-V264 HydrophobicContact CE2-CG1 3.96Å; F246-V264 HydrophobicContact CE2-CG2 4.32Å
247E91.1Very high92.3Very high1 Ų136 Ų361%0.00518%0.182CC..Hα-helixtrans-62.9-43.7-178.2-178.6176.1-164.800111.2N99 F180 Y243 L244 A249 F250 V251 A339 M340 F364N99-E247 PolarHBondContact ND2-OE1 2.87Å; F180-E247 HydrophobicContact CZ-CG 4.33Å; Y243-E247 HydrophobicContact CE1-CB 4.38Å; Y243-E247 WeakPolarHBondContact CE1-OE2 3.35Å; Y243-E247 PolarHBondContact O-N 2.95Å; Y243-E247 PolarHBondContact OH-OE2 2.94Å; L244-E247 PolarHBondContact O-N 3.35Å; E247-A249 PolarHBondContact O-N 3.37Å; E247-F250 WeakPolarHBondContact O-CB 3.12Å; E247-F250 PolarHBondContact O-N 2.8Å; E247-V251 WeakPolarHBondContact O-CG2 3.42Å; E247-V251 PolarHBondContact O-N 2.68Å; E247-A339 WeakPolarHBondContact OE1-CA 3.32Å; E247-M340 PolarHBondContact OE1-N 2.86Å; E247-M340 VanDerWaalsContact OE2-CB 3.28Å; E247-M340 WeakPolarHBondContact OE2-CB 3.25Å; E247-M340 PolarHBondContact OE2-N 3.38Å; E247-F364 HydrophobicContact CG-CE2 4.23Å; E247-F364 HydrophobicContact CG-CZ 4.38Å; E247-F364 WeakPolarHBondContact OE1-CE2 3.28Å
248N90.3Very high91.7Very high35 Ų3539.5 Ų39.519%0.18721%0.207CC..Hα-helixtrans-65.1-40.6177.4-78.3-96.9000111.4L244 F246 F250 V251 L252 M340 L341 L342L244-N248 WeakPolarHBondContact O-CB 3.4Å; L244-N248 PolarHBondContact O-N 3.48Å; L244-N248 PolarHBondContact O-ND2 3.22Å; F246-N248 PolarHBondContact O-N 3.2Å; N248-F250 VanDerWaalsContact C-N 3.35Å; N248-V251 PolarHBondContact O-N 2.81Å; N248-L252 VanDerWaalsContact O-CB 3.29Å; N248-L252 WeakPolarHBondContact O-CB 3.38Å; N248-L252 PolarHBondContact O-N 2.76Å; N248-M340 PolarHBondContact ND2-O 3.44Å; N248-L341 WeakPolarHBondContact OD1-CA 3.38Å; N248-L341 VanDerWaalsContact OD1-CD2 3.31Å; N248-L341 WeakPolarHBondContact OD1-CD2 3.44Å; N248-L342 PolarHBondContact ND2-N 2.92Å; N248-L342 PolarHBondContact OD1-N 3.35Å
249A91.4Very high91.2Very high9 Ų941.6 Ų41.67%0.07422%0.218CC..Hα-helixtrans-66.5-36.6174.900000112.2W198 L245 F246 E247 S253 V264W198-A249 HydrophobicContact CH2-CB 4.13Å; W198-A249 HydrophobicContact CZ2-CB 4.21Å; L245-A249 VanDerWaalsContact O-CB 3.23Å; L245-A249 WeakPolarHBondContact O-CB 3.41Å; L245-A249 PolarHBondContact O-N 2.96Å; F246-A249 PolarHBondContact O-N 2.91Å; E247-A249 PolarHBondContact O-N 3.37Å; A249-S253 WeakPolarHBondContact O-CB 3.21Å; A249-S253 PolarHBondContact O-N 2.46Å; A249-S253 PolarHBondContact O-OG 3.18Å; A249-V264 HydrophobicContact CB-CG2 3.77Å
250F91.8Very high90.8Very high8 Ų841.7 Ų41.74%0.03522%0.219CC..Hα-helixtrans-64.1-49174.8179.5-81.3000111.4P179 F180 F246 E247 N248 S253 H254 G260 T261 V264 F364P179-F250 HydrophobicContact CB-CE1 4.34Å; P179-F250 HydrophobicContact CB-CZ 4.13Å; F180-F250 HydrophobicContact CD1-CD1 4.2Å; F180-F250 AromaticContact CD1-CD2 3.88Å; F180-F250 HydrophobicContact CD1-CD2 3.88Å; F180-F250 HydrophobicContact CD1-CE1 4.06Å; F180-F250 AromaticContact CD1-CE2 3.68Å; F180-F250 HydrophobicContact CD1-CE2 3.68Å; F180-F250 HydrophobicContact CD1-CG 4.13Å; F180-F250 AromaticContact CD1-CZ 3.79Å; F180-F250 HydrophobicContact CD1-CZ 3.79Å; F180-F250 HydrophobicContact CE1-CB 4.35Å; F180-F250 AromaticContact CE1-CD1 3.64Å; F180-F250 HydrophobicContact CE1-CD1 3.64Å; F180-F250 AromaticContact CE1-CD2 3.94Å; F180-F250 HydrophobicContact CE1-CD2 3.94Å; F180-F250 AromaticContact CE1-CE1 3.85Å; F180-F250 HydrophobicContact CE1-CE1 3.85Å; F180-F250 HydrophobicContact CE1-CE2 4.09Å; F180-F250 AromaticContact CE1-CG 3.71Å; F180-F250 HydrophobicContact CE1-CG 3.71Å; F180-F250 HydrophobicContact CE1-CZ 4.06Å; F246-F250 HydrophobicContact CZ-CB 4.37Å; F246-F250 HydrophobicContact CZ-CD2 4.13Å; F246-F250 WeakPolarHBondContact O-CB 3.37Å; F246-F250 PolarHBondContact O-N 2.91Å; E247-F250 WeakPolarHBondContact O-CB 3.12Å; E247-F250 PolarHBondContact O-N 2.8Å; N248-F250 VanDerWaalsContact C-N 3.35Å; F250-S253 WeakPolarHBondContact O-CB 3.39Å; F250-S253 PolarHBondContact O-N 3.34Å; F250-H254 WeakPolarHBondContact O-CB 3.44Å; F250-H254 PolarHBondContact O-N 3.45Å; F250-G260 VanDerWaalsContact CD2-C 3.49Å; F250-G260 VanDerWaalsContact O-CA 3.3Å; F250-G260 WeakPolarHBondContact O-CA 3.24Å; F250-T261 WeakPolarHBondContact CE2-OG1 3.41Å; F250-V264 HydrophobicContact CD2-CG1 4.46Å; F250-F364 AromaticContact CD1-CE1 3.96Å; F250-F364 HydrophobicContact CD1-CE1 3.96Å; F250-F364 HydrophobicContact CD1-CZ 4.09Å; F250-F364 AromaticContact CE1-CE1 3.72Å; F250-F364 HydrophobicContact CE1-CE1 3.72Å; F250-F364 HydrophobicContact CE1-CZ 4.27Å
251V89.4Confident90.6Very high1 Ų139.8 Ų39.81%0.00621%0.209CC..Hα-helixtrans-63.5-45.3179.2173.30000110.5E247 N248 S253 H254 W255 A339 L359 Q362 F364E247-V251 WeakPolarHBondContact O-CG2 3.42Å; E247-V251 PolarHBondContact O-N 2.68Å; N248-V251 PolarHBondContact O-N 2.81Å; V251-S253 VanDerWaalsContact C-N 3.32Å; V251-S253 PolarHBondContact O-N 3.2Å; V251-H254 PolarHBondContact O-N 2.8Å; V251-W255 PolarHBondContact O-N 3.43Å; V251-A339 HydrophobicContact CG2-CB 3.96Å; V251-L359 HydrophobicContact CG1-CD2 3.96Å; V251-Q362 HydrophobicContact CG1-CB 4.3Å; V251-F364 HydrophobicContact CG2-CE1 4.23Å; V251-F364 HydrophobicContact CG2-CZ 3.71Å
252L88Confident90.3Very high70 Ų7042 Ų4237%0.36622%0.218SC..Hα-helixtrans-59.6-44.5176179.862.8000111.6N248 H254 W255 L256N248-L252 VanDerWaalsContact O-CB 3.29Å; N248-L252 WeakPolarHBondContact O-CB 3.38Å; N248-L252 PolarHBondContact O-N 2.76Å; L252-H254 VanDerWaalsContact C-N 3.34Å; L252-W255 HydrophobicContact CD1-CE3 4.16Å; L252-W255 PolarHBondContact O-N 3.41Å; L252-L256 HydrophobicContact CD1-CD1 4.09Å; L252-L256 HydrophobicContact CD1-CG 4.35Å; L252-L256 HydrophobicContact CG-CD1 4.03Å; L252-L256 WeakPolarHBondContact O-CG 3.39Å; L252-L256 PolarHBondContact O-N 3.26Å
253S90.6Very high90Very high2 Ų242 Ų421%0.01422%0.219CC..Hα-helixtrans-63.4-40.1176.6-700000112.4A249 F250 V251 W255 L256 L257 G260 V264A249-S253 WeakPolarHBondContact O-CB 3.21Å; A249-S253 PolarHBondContact O-N 2.46Å; A249-S253 PolarHBondContact O-OG 3.18Å; F250-S253 WeakPolarHBondContact O-CB 3.39Å; F250-S253 PolarHBondContact O-N 3.34Å; V251-S253 VanDerWaalsContact C-N 3.32Å; V251-S253 PolarHBondContact O-N 3.2Å; S253-W255 VanDerWaalsContact C-N 3.31Å; S253-W255 PolarHBondContact O-N 2.95Å; S253-L256 PolarHBondContact O-N 3.3Å; S253-L257 WeakPolarHBondContact O-CB 3.16Å; S253-L257 PolarHBondContact O-N 3.25Å; S253-G260 WeakPolarHBondContact CB-O 3.44Å; S253-V264 PolarHBondContact OG-N 2.9Å; S253-V264 VanDerWaalsContact OG-N 3.12Å
254H87.1Confident89.9Confident80 Ų8041.9 Ų41.937%0.3722%0.219SC..Hα-helixtrans-65.1-39.2177.4-172.357000111F250 V251 L252 S258F250-H254 WeakPolarHBondContact O-CB 3.44Å; F250-H254 PolarHBondContact O-N 3.45Å; V251-H254 PolarHBondContact O-N 2.8Å; L252-H254 VanDerWaalsContact C-N 3.34Å; H254-S258 PolarHBondContact CE1-O 3.42Å; H254-S258 PolarHBondContact ND1-O 3.41Å; H254-S258 CarbonylContact O-C 3.58Å; H254-S258 WeakPolarHBondContact O-CA 3.2Å; H254-S258 PolarHBondContact O-N 3.29Å
255W84.3Confident89.8Confident132 Ų13243.8 Ų43.850%0.523%0.228SC..Hα-helixtrans-66.1-44.8174.9179.871.8000112.7V251 L252 S253V251-W255 PolarHBondContact O-N 3.43Å; L252-W255 HydrophobicContact CD1-CE3 4.16Å; L252-W255 PolarHBondContact O-N 3.41Å; S253-W255 VanDerWaalsContact C-N 3.31Å; S253-W255 PolarHBondContact O-N 2.95Å
256L88.4Confident89.6Confident106 Ų10643 Ų4356%0.55523%0.23SC*.Hα-helixtrans-74.7-39.8-177.3-72.5172.8000113.8L252 S253L252-L256 HydrophobicContact CD1-CD1 4.09Å; L252-L256 HydrophobicContact CD1-CG 4.35Å; L252-L256 HydrophobicContact CG-CD1 4.03Å; L252-L256 WeakPolarHBondContact O-CG 3.39Å; L252-L256 PolarHBondContact O-N 3.26Å; S253-L256 PolarHBondContact O-N 3.3Å
257L88.7Confident89.3Confident101 Ų10146.5 Ų46.553%0.52925%0.248SC..Hα-helixtrans-118.77.1-166.9-58.9175.5000113S253 N259S253-L257 WeakPolarHBondContact O-CB 3.16Å; S253-L257 PolarHBondContact O-N 3.25Å; L257-N259 PolarHBondContact O-N 3.42Å
258S86Confident89.2Confident103 Ų10347 Ų4772%0.7225%0.251SS*.SBendtrans57.86.3-168.769.90000114.5H254H254-S258 PolarHBondContact CE1-O 3.42Å; H254-S258 PolarHBondContact ND1-O 3.41Å; H254-S258 CarbonylContact O-C 3.58Å; H254-S258 WeakPolarHBondContact O-CA 3.2Å; H254-S258 PolarHBondContact O-N 3.29Å
259N87.9Confident89.1Confident44 Ų4450.9 Ų50.924%0.23527%0.268CS..  trans-147.498.9-169.4-168.6-33.1000111.7Q183 L257 T261 I262 G263Q183-N259 PolarHBondContact NE2-ND2 2.81Å; Q183-N259 PolarHBondContact NE2-OD1 3.22Å; L257-N259 PolarHBondContact O-N 3.42Å; N259-T261 PolarHBondContact OD1-N 2.91Å; N259-I262 HydrophobicContact CB-CB 4.5Å; N259-I262 WeakPolarHBondContact ND2-CD1 3.38Å; N259-I262 PolarHBondContact OD1-N 3.48Å; N259-G263 PolarHBondContact O-N 2.9Å
260G87.8Confident89Confident2 Ų255.8 Ų55.82%0.02129%0.292CS..Hα-helixtrans-63.7-45.1-174.900000113.6F250 S253 V264F250-G260 VanDerWaalsContact CD2-C 3.49Å; F250-G260 VanDerWaalsContact O-CA 3.3Å; F250-G260 WeakPolarHBondContact O-CA 3.24Å; S253-G260 WeakPolarHBondContact CB-O 3.44Å; G260-V264 WeakPolarHBondContact O-CG1 3.4Å; G260-V264 PolarHBondContact O-N 2.9Å
261T91.7Very high88.8Confident3 Ų358.5 Ų58.52%0.01831%0.309CS..Hα-helixtrans-68.3-44.8-175.9-57.70000112.4Q183 L190 S191 F250 N259 V264 L265Q183-T261 HydrophobicContact CB-CG2 3.85Å; Q183-T261 VanDerWaalsContact OE1-CG2 3.25Å; L190-T261 HydrophobicContact CB-CG2 3.69Å; S191-T261 PolarHBondContact OG-OG1 3.12Å; F250-T261 WeakPolarHBondContact CE2-OG1 3.41Å; N259-T261 PolarHBondContact OD1-N 2.91Å; T261-V264 WeakPolarHBondContact O-CG1 3.15Å; T261-L265 VanDerWaalsContact O-CB 3.25Å; T261-L265 WeakPolarHBondContact O-CB 3.49Å; T261-L265 PolarHBondContact O-N 3.12Å
262I90.7Very high88.8Confident90 Ų9059 Ų5946%0.46231%0.313SS..Hα-helixtrans-65.4-43.8178.9-63.2-176.1000110.2N259 L265 A266N259-I262 HydrophobicContact CB-CB 4.5Å; N259-I262 WeakPolarHBondContact ND2-CD1 3.38Å; N259-I262 PolarHBondContact OD1-N 3.48Å; I262-L265 PolarHBondContact O-N 3.1Å; I262-A266 WeakPolarHBondContact O-CB 3.39Å; I262-A266 PolarHBondContact O-N 2.92Å
263G90.1Very high88.8Confident1 Ų158.4 Ų58.41%0.0131%0.312CS..Hα-helixtrans-63.9-45.3-179.900000112.7N259 L265 A266 M267N259-G263 PolarHBondContact O-N 2.9Å; G263-L265 VanDerWaalsContact C-N 3.3Å; G263-L265 PolarHBondContact O-N 3.32Å; G263-A266 PolarHBondContact O-N 3.02Å; G263-M267 WeakPolarHBondContact O-CB 3.15Å; G263-M267 VanDerWaalsContact O-CG 3.31Å; G263-M267 WeakPolarHBondContact O-CG 3.36Å; G263-M267 PolarHBondContact O-N 3.24Å
264V90.9Very high88.5Confident0 Ų061.8 Ų61.80%034%0.335CS..Hα-helixtrans-66.5-34.9178.273.20000111.4V194 W198 F246 A249 F250 S253 G260 T261 T268V194-V264 HydrophobicContact CG1-CG1 4.26Å; V194-V264 HydrophobicContact CG1-CG2 3.99Å; W198-V264 HydrophobicContact CZ2-CG2 4.49Å; F246-V264 HydrophobicContact CD2-CG2 4.12Å; F246-V264 HydrophobicContact CE2-CG1 3.96Å; F246-V264 HydrophobicContact CE2-CG2 4.32Å; A249-V264 HydrophobicContact CB-CG2 3.77Å; F250-V264 HydrophobicContact CD2-CG1 4.46Å; S253-V264 PolarHBondContact OG-N 2.9Å; S253-V264 VanDerWaalsContact OG-N 3.12Å; G260-V264 WeakPolarHBondContact O-CG1 3.4Å; G260-V264 PolarHBondContact O-N 2.9Å; T261-V264 WeakPolarHBondContact O-CG1 3.15Å; V264-T268 VanDerWaalsContact O-CB 3.26Å; V264-T268 WeakPolarHBondContact O-CB 3.4Å; V264-T268 PolarHBondContact O-N 3.08Å; V264-T268 PolarHBondContact O-OG1 3.31Å
265L91.8Very high88.6Confident70 Ų7059.9 Ų59.937%0.36633%0.328SS..Hα-helixtrans-65.3-45.7173.9-177.264.8000111.4L190 V194 T261 I262 G263 T268 H269L190-L265 HydrophobicContact CD1-CD2 4.38Å; V194-L265 HydrophobicContact CG2-CB 4.46Å; V194-L265 HydrophobicContact CG2-CD1 3.79Å; T261-L265 VanDerWaalsContact O-CB 3.25Å; T261-L265 WeakPolarHBondContact O-CB 3.49Å; T261-L265 PolarHBondContact O-N 3.12Å; I262-L265 PolarHBondContact O-N 3.1Å; G263-L265 VanDerWaalsContact C-N 3.3Å; G263-L265 PolarHBondContact O-N 3.32Å; L265-T268 PolarHBondContact O-N 3.1Å; L265-H269 WeakPolarHBondContact O-CB 3.13Å; L265-H269 PolarHBondContact O-N 3.43Å
266A89.3Confident88.6Confident44 Ų4456.3 Ų56.336%0.36432%0.318SS..Hα-helixtrans-62.3-45.5177.600000111.7I262 G263 H269 L270I262-A266 WeakPolarHBondContact O-CB 3.39Å; I262-A266 PolarHBondContact O-N 2.92Å; G263-A266 PolarHBondContact O-N 3.02Å; A266-H269 PolarHBondContact O-N 3.33Å; A266-L270 WeakPolarHBondContact O-CB 3.47Å; A266-L270 VanDerWaalsContact O-CG 3.29Å; A266-L270 WeakPolarHBondContact O-CG 3.4Å; A266-L270 PolarHBondContact O-N 3.03Å
267M87Confident88.5Confident75 Ų7555.6 Ų55.637%0.36931%0.314SS..Hα-helixtrans-59.1-47.9173.7-72176.766.400111.3G263 H269 L270 V271G263-M267 WeakPolarHBondContact O-CB 3.15Å; G263-M267 VanDerWaalsContact O-CG 3.31Å; G263-M267 WeakPolarHBondContact O-CG 3.36Å; G263-M267 PolarHBondContact O-N 3.24Å; M267-H269 VanDerWaalsContact C-N 3.34Å; M267-H269 PolarHBondContact O-N 3.12Å; M267-L270 PolarHBondContact O-N 3.26Å; M267-V271 VanDerWaalsContact O-CG2 3.29Å; M267-V271 WeakPolarHBondContact O-CG2 3.48Å; M267-V271 PolarHBondContact O-N 2.99Å
268T90.3Very high88.3Confident11 Ų1155.6 Ų55.67%0.06731%0.31CS..Hα-helixtrans-59.2-47.6178.2-57.90000110.3V194 F197 W198 V264 L265 V271 C272V194-T268 WeakPolarHBondContact CG1-OG1 3.22Å; F197-T268 HydrophobicContact CD1-CG2 3.55Å; F197-T268 HydrophobicContact CE1-CG2 3.65Å; F197-T268 HydrophobicContact CG-CG2 4.15Å; F197-T268 HydrophobicContact CZ-CG2 4.32Å; W198-T268 PolarHBondContact NE1-OG1 3.14Å; V264-T268 VanDerWaalsContact O-CB 3.26Å; V264-T268 WeakPolarHBondContact O-CB 3.4Å; V264-T268 PolarHBondContact O-N 3.08Å; V264-T268 PolarHBondContact O-OG1 3.31Å; L265-T268 PolarHBondContact O-N 3.1Å; T268-V271 PolarHBondContact O-N 3.27Å; T268-C272 VanDerWaalsContact O-CB 3.28Å; T268-C272 WeakPolarHBondContact O-CB 3.43Å; T268-C272 PolarHBondContact O-N 2.89Å; T268-C272 PolarHBondContact O-SG 3.44Å
269H88.3Confident88.1Confident117 Ų11750.7 Ų50.754%0.54228%0.275SS..Hα-helixtrans-60.4-48178.6-179.5-91.1000112.2L265 A266 M267 V271 C272 V273L265-H269 WeakPolarHBondContact O-CB 3.13Å; L265-H269 PolarHBondContact O-N 3.43Å; A266-H269 PolarHBondContact O-N 3.33Å; M267-H269 VanDerWaalsContact C-N 3.34Å; M267-H269 PolarHBondContact O-N 3.12Å; H269-V271 PolarHBondContact O-N 3.27Å; H269-C272 WeakPolarHBondContact O-CB 3.33Å; H269-C272 PolarHBondContact O-N 3.32Å; H269-V273 WeakPolarHBondContact O-CB 3.47Å; H269-V273 VanDerWaalsContact O-CG2 3.32Å; H269-V273 WeakPolarHBondContact O-CG2 3.45Å; H269-V273 PolarHBondContact O-N 3.42Å
270L89.6Confident87.9Confident111 Ų11155.9 Ų55.958%0.58129%0.293SS*.Hα-helixtrans-61.1-44.7179.1-73170.9000112.2A266 M267 S274A266-L270 WeakPolarHBondContact O-CB 3.47Å; A266-L270 VanDerWaalsContact O-CG 3.29Å; A266-L270 WeakPolarHBondContact O-CG 3.4Å; A266-L270 PolarHBondContact O-N 3.03Å; M267-L270 PolarHBondContact O-N 3.26Å; L270-S274 WeakPolarHBondContact O-CB 3.31Å; L270-S274 PolarHBondContact O-N 2.87Å; L270-S274 PolarHBondContact O-OG 2.92Å
271V87.9Confident87.7Confident65 Ų6563.4 Ų63.439%0.39433%0.325SS..Hα-helixtrans-66.3-44.4177.9177.20000110.5F149 M267 T268 H269 S274 L275F149-V271 HydrophobicContact CD1-CG1 4.16Å; F149-V271 HydrophobicContact CE1-CB 4.18Å; F149-V271 HydrophobicContact CE1-CG1 3.36Å; F149-V271 HydrophobicContact CE2-CG1 4.44Å; F149-V271 HydrophobicContact CZ-CG1 3.51Å; M267-V271 VanDerWaalsContact O-CG2 3.29Å; M267-V271 WeakPolarHBondContact O-CG2 3.48Å; M267-V271 PolarHBondContact O-N 2.99Å; T268-V271 PolarHBondContact O-N 3.27Å; H269-V271 PolarHBondContact O-N 3.27Å; V271-S274 PolarHBondContact O-N 3.27Å; V271-L275 HydrophobicContact CG1-CD1 3.7Å; V271-L275 HydrophobicContact CG1-CG 4.25Å; V271-L275 WeakPolarHBondContact O-CB 3.35Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 3.45Å
272C88Confident87.3Confident12 Ų1265.8 Ų65.88%0.08134%0.34CS..Hα-helixtrans-55.1-55.1174.6-75.80000111.5F197 T268 H269 S274 L275 L276F197-C272 WeakPolarHBondContact CZ-SG 3.37Å; T268-C272 VanDerWaalsContact O-CB 3.28Å; T268-C272 WeakPolarHBondContact O-CB 3.43Å; T268-C272 PolarHBondContact O-N 2.89Å; T268-C272 PolarHBondContact O-SG 3.44Å; H269-C272 WeakPolarHBondContact O-CB 3.33Å; H269-C272 PolarHBondContact O-N 3.32Å; C272-S274 VanDerWaalsContact C-N 3.35Å; C272-S274 PolarHBondContact O-N 2.73Å; C272-L275 PolarHBondContact O-N 2.86Å; C272-L276 VanDerWaalsContact O-CB 3.29Å; C272-L276 WeakPolarHBondContact O-CB 3.24Å; C272-L276 WeakPolarHBondContact O-CG 3.43Å; C272-L276 PolarHBondContact O-N 3.11Å
273V87.5Confident86.7Confident58 Ų5868.7 Ų68.735%0.35235%0.345SS..Hα-helixtrans-59.6-47.4-178170.30000110.5H269 L275 L276 I277H269-V273 WeakPolarHBondContact O-CB 3.47Å; H269-V273 VanDerWaalsContact O-CG2 3.32Å; H269-V273 WeakPolarHBondContact O-CG2 3.45Å; H269-V273 PolarHBondContact O-N 3.42Å; V273-L275 PolarHBondContact O-N 3.46Å; V273-L276 PolarHBondContact O-N 3.28Å; V273-I277 HydrophobicContact CG1-CD1 3.6Å; V273-I277 HydrophobicContact CG1-CG1 4.33Å; V273-I277 WeakPolarHBondContact O-CB 3.46Å; V273-I277 WeakPolarHBondContact O-CG1 3.43Å; V273-I277 PolarHBondContact O-N 3.4Å
274S86.1Confident86.1Confident72 Ų7274.7 Ų74.750%0.50337%0.373SS..Hα-helixtrans-60.2-45.5-179.6-56.50000112.1L270 V271 C272 F278L270-S274 WeakPolarHBondContact O-CB 3.31Å; L270-S274 PolarHBondContact O-N 2.87Å; L270-S274 PolarHBondContact O-OG 2.92Å; V271-S274 PolarHBondContact O-N 3.27Å; C272-S274 VanDerWaalsContact C-N 3.35Å; C272-S274 PolarHBondContact O-N 2.73Å; S274-F278 VanDerWaalsContact O-CB 3.3Å; S274-F278 WeakPolarHBondContact O-CB 3.26Å; S274-F278 PolarHBondContact O-N 2.98Å
275L87.6Confident85.4Confident41 Ų4180.4 Ų80.422%0.21541%0.41CS..Hα-helixtrans-74.6-31.1-179.1-68.8178.9000113.1P145 A146 F149 V271 C272 V273 G279P145-L275 HydrophobicContact CB-CD2 4.27Å; A146-L275 WeakPolarHBondContact CB-O 3.26Å; F149-L275 HydrophobicContact CD1-CD1 4.08Å; F149-L275 HydrophobicContact CD2-CD1 3.35Å; F149-L275 HydrophobicContact CE1-CD1 4.1Å; F149-L275 HydrophobicContact CE2-CD1 3.29Å; F149-L275 HydrophobicContact CG-CD1 3.77Å; F149-L275 HydrophobicContact CZ-CD1 3.71Å; V271-L275 HydrophobicContact CG1-CD1 3.7Å; V271-L275 HydrophobicContact CG1-CG 4.25Å; V271-L275 WeakPolarHBondContact O-CB 3.35Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 3.45Å; C272-L275 PolarHBondContact O-N 2.86Å; V273-L275 PolarHBondContact O-N 3.46Å; L275-G279 WeakPolarHBondContact O-CA 3.22Å; L275-G279 PolarHBondContact O-N 3.09Å
276L85.5Confident84.2Confident56 Ų5679.5 Ų79.529%0.29341%0.413SS..Hα-helixtrans-71.7-41.2174.9-71.3175.5000111.5L150 C272 V273 G279 Y280L150-L276 HydrophobicContact CB-CD2 3.75Å; L150-L276 HydrophobicContact CD1-CD2 3.94Å; L150-L276 HydrophobicContact CD2-CD2 4.49Å; L150-L276 HydrophobicContact CG-CD2 4.26Å; C272-L276 VanDerWaalsContact O-CB 3.29Å; C272-L276 WeakPolarHBondContact O-CB 3.24Å; C272-L276 WeakPolarHBondContact O-CG 3.43Å; C272-L276 PolarHBondContact O-N 3.11Å; V273-L276 PolarHBondContact O-N 3.28Å; L276-G279 PolarHBondContact O-N 3.48Å; L276-Y280 WeakPolarHBondContact O-CB 3.32Å; L276-Y280 PolarHBondContact O-N 3.47Å
277I86.3Confident83.1Confident91 Ų9185.6 Ų85.647%0.46743%0.431SS..Hα-helixtrans-60.1-51172.2-69.4170.7000109.5V273 G279 Y280 F281V273-I277 HydrophobicContact CG1-CD1 3.6Å; V273-I277 HydrophobicContact CG1-CG1 4.33Å; V273-I277 WeakPolarHBondContact O-CB 3.46Å; V273-I277 WeakPolarHBondContact O-CG1 3.43Å; V273-I277 PolarHBondContact O-N 3.4Å; I277-G279 VanDerWaalsContact C-N 3.3Å; I277-G279 PolarHBondContact O-N 2.78Å; I277-Y280 WeakPolarHBondContact O-CB 3.3Å; I277-Y280 PolarHBondContact O-N 3.34Å; I277-F281 HydrophobicContact CG2-CD2 3.8Å; I277-F281 HydrophobicContact CG2-CE2 3.52Å; I277-F281 WeakPolarHBondContact O-CD2 3.39Å; I277-F281 PolarHBondContact O-N 3.02Å; I277-F281 VanDerWaalsContact O-N 3.16Å
278F83.7Confident82.1Confident101 Ų10184.6 Ų84.644%0.44344%0.435SS..Hα-helixtrans-57.5-43.5175.8177.6-98.6000112.1H143 S274 Y280 F281 T282H143-F278 AromaticContact ND1-CE1 3.77Å; S274-F278 VanDerWaalsContact O-CB 3.3Å; S274-F278 WeakPolarHBondContact O-CB 3.26Å; S274-F278 PolarHBondContact O-N 2.98Å; F278-Y280 PolarHBondContact O-N 2.76Å; F278-F281 PolarHBondContact O-N 3.31Å; F278-T282 HydrophobicContact CD1-CG2 4.47Å; F278-T282 HydrophobicContact CD2-CG2 4.22Å; F278-T282 HydrophobicContact CE1-CG2 4.07Å; F278-T282 HydrophobicContact CE2-CG2 3.79Å; F278-T282 HydrophobicContact CZ-CG2 3.72Å; F278-T282 WeakPolarHBondContact O-CB 3.23Å; F278-T282 WeakPolarHBondContact O-CG2 3.49Å; F278-T282 PolarHBondContact O-N 2.83Å; F278-T282 PolarHBondContact O-OG1 3.11Å
279G82.6Confident81Confident0 Ų086.3 Ų86.30%045%0.447CS..Hα-helixtrans-63.1-38.4177.700000113.7A146 L275 L276 I277 T282 R283A146-G279 VanDerWaalsContact CB-CA 3.41Å; L275-G279 WeakPolarHBondContact O-CA 3.22Å; L275-G279 PolarHBondContact O-N 3.09Å; L276-G279 PolarHBondContact O-N 3.48Å; I277-G279 VanDerWaalsContact C-N 3.3Å; I277-G279 PolarHBondContact O-N 2.78Å; G279-T282 PolarHBondContact O-N 3.42Å; G279-R283 PolarHBondContact O-N 3Å
280Y82.5Confident80.1Confident153 Ų15387.8 Ų87.860%0.646%0.459SS*.Hα-helixtrans-62.2-46.9175.9178.2-96.3000111.2L276 I277 F278 T282 R283L276-Y280 WeakPolarHBondContact O-CB 3.32Å; L276-Y280 PolarHBondContact O-N 3.47Å; I277-Y280 WeakPolarHBondContact O-CB 3.3Å; I277-Y280 PolarHBondContact O-N 3.34Å; F278-Y280 PolarHBondContact O-N 2.76Å; Y280-T282 VanDerWaalsContact C-N 3.32Å; Y280-T282 PolarHBondContact O-N 3.04Å; Y280-R283 WeakPolarHBondContact O-CG 3.07Å
281F84.4Confident79.5Confident160 Ų16083.8 Ų83.870%0.70244%0.439SS*.Hα-helixtrans-71.7-24.8179.2-70.2-61.7000113.7I277 F278I277-F281 HydrophobicContact CG2-CD2 3.8Å; I277-F281 HydrophobicContact CG2-CE2 3.52Å; I277-F281 WeakPolarHBondContact O-CD2 3.39Å; I277-F281 PolarHBondContact O-N 3.02Å; I277-F281 VanDerWaalsContact O-N 3.16Å; F278-F281 PolarHBondContact O-N 3.31Å
282T82.9Confident79.3Confident54 Ų5482.6 Ų82.633%0.33143%0.434SS..THydrogen-bonded Turntrans-103.310.2-17958.40000113.8F278 G279 Y280F278-T282 HydrophobicContact CD1-CG2 4.47Å; F278-T282 HydrophobicContact CD2-CG2 4.22Å; F278-T282 HydrophobicContact CE1-CG2 4.07Å; F278-T282 HydrophobicContact CE2-CG2 3.79Å; F278-T282 HydrophobicContact CZ-CG2 3.72Å; F278-T282 WeakPolarHBondContact O-CB 3.23Å; F278-T282 WeakPolarHBondContact O-CG2 3.49Å; F278-T282 PolarHBondContact O-N 2.83Å; F278-T282 PolarHBondContact O-OG1 3.11Å; G279-T282 PolarHBondContact O-N 3.42Å; Y280-T282 VanDerWaalsContact C-N 3.32Å; Y280-T282 PolarHBondContact O-N 3.04Å
283R79.2Confident79.3Confident151 Ų15182.3 Ų82.357%0.5743%0.431SS*.PPolyproline II helixtrans-62.8140.2-178.578.3178.9-177.1143.1-1.6111.1L142 G279 Y280L142-R283 HydrophobicContact CD2-CB 4.1Å; G279-R283 PolarHBondContact O-N 3Å; Y280-R283 WeakPolarHBondContact O-CG 3.07Å
284Q77Confident79.3Confident127 Ų12783.3 Ų83.359%0.59344%0.438SS*.PPolyproline II helixtrans-78.8148.5173.6-63.9-178.5-1.300110.5K141 A286K141-Q284 HydrophobicContact CB-CB 4.19Å; K141-Q284 PolarHBondContact O-N 2.73Å; Q284-A286 PolarHBondContact O-N 3.12Å; Q284-A286 VanDerWaalsContact O-N 3.12Å
285P75.2Confident79.7Confident120 Ų12080.9 Ų80.978%0.77942%0.418SS*.PPolyproline II helixtrans-58.2120.7174.622.5-31.8000110.6K287P285-K287 PolarHBondContact O-N 3.11Å
286A67.8Low79.9Confident51 Ų5179 Ų7942%0.42141%0.409SS..  trans-79.3103.6-178.900000110.5Q284Q284-A286 PolarHBondContact O-N 3.12Å; Q284-A286 VanDerWaalsContact O-N 3.12Å
287K66.6Low80.2Confident172 Ų17278.1 Ų78.175%0.74840%0.404SS*.PPolyproline II helixtrans-60.9140.7154-67.1-173.5180-178.80108.5P285 S289P285-K287 PolarHBondContact O-N 3.11Å; K287-S289 PolarHBondContact O-N 3.18Å
288A64.3Low80.5Confident54 Ų5477.4 Ų77.445%0.44640%0.401SS..PPolyproline II helixtrans-49.8126.6172.900000109.4N433A288-N433 HydrophobicContact CB-CB 3.75Å
289S67.8Low81Confident46 Ų4672.7 Ų72.732%0.32238%0.38SS..PPolyproline II helixtrans-86130.4171.3179.60000108.3K287 V291K287-S289 PolarHBondContact O-N 3.18Å; S289-V291 PolarHBondContact O-N 2.72Å; S289-V291 WeakPolarHBondContact OG-CB 3.41Å; S289-V291 WeakPolarHBondContact OG-CG2 3.43Å; S289-V291 PolarHBondContact OG-N 2.82Å
290D69.8Low81.4Confident148 Ų14873.3 Ų73.379%0.79138%0.382SS*.  trans-81.2-1173.4-67.7-35.4000112.7S292D290-S292 PolarHBondContact O-N 2.86Å
291V77.5Confident81.9Confident28 Ų2869.3 Ų69.317%0.1737%0.373CS..  trans-70.8104.7179.9-1780000109.6R139 S289R139-V291 PolarHBondContact NH1-O 2.96Å; S289-V291 PolarHBondContact O-N 2.72Å; S289-V291 WeakPolarHBondContact OG-CB 3.41Å; S289-V291 WeakPolarHBondContact OG-CG2 3.43Å; S289-V291 PolarHBondContact OG-N 2.82Å
292S83.4Confident82.4Confident40 Ų4063.6 Ų63.628%0.2835%0.35SS..  trans-67.3127.2170.9168.40000110.5R70 H71 D290 V294R70-S292 PolarHBondContact NH2-O 3.42Å; R70-S292 VanDerWaalsContact NH2-O 3.08Å; R70-S292 PolarHBondContact NH2-OG 3.03Å; R70-S292 VanDerWaalsContact NH2-OG 3.07Å; H71-S292 PolarHBondContact NE2-O 3.34Å; D290-S292 PolarHBondContact O-N 2.86Å; S292-V294 WeakPolarHBondContact OG-CG2 3.41Å
293C86.9Confident82.9Confident5 Ų561.1 Ų61.13%0.03434%0.335CS..  trans-111.229.3177.1-58.70000111.7R139 E295 L296 N297 C429R139-C293 PolarHBondContact NH1-SG 3.01Å; C293-E295 VanDerWaalsContact C-N 3.35Å; C293-E295 PolarHBondContact O-N 3.43Å; C293-L296 HydrophobicContact CB-CB 4.49Å; C293-L296 HydrophobicContact CB-CD1 4.33Å; C293-L296 PolarHBondContact O-N 3.35Å; C293-N297 PolarHBondContact O-N 2.94Å; C293-C429 HydrophobicContact CB-CB 4.43Å
294V89.2Confident83.6Confident80 Ų8054.5 Ų54.549%0.48531%0.311SS..Hα-helixtrans-61.5-43.1-173.1171.60000111.1S292 L296 N297 I298S292-V294 WeakPolarHBondContact OG-CG2 3.41Å; V294-L296 VanDerWaalsContact C-N 3.31Å; V294-L296 PolarHBondContact O-N 3.23Å; V294-N297 PolarHBondContact O-N 3.19Å; V294-I298 HydrophobicContact CG1-CD1 3.64Å; V294-I298 HydrophobicContact CG1-CG1 4.27Å; V294-I298 WeakPolarHBondContact O-CB 3.49Å; V294-I298 VanDerWaalsContact O-CG1 3.25Å; V294-I298 WeakPolarHBondContact O-CG1 3.3Å; V294-I298 PolarHBondContact O-N 2.78Å
295E92.7Very high84.5Confident21 Ų2153.4 Ų53.410%0.09831%0.309CS..Hα-helixtrans-64-37179.1-55.390.2152.400112.1L63 I66 H67 R70 C293 I298 A299L63-E295 HydrophobicContact CB-CB 4.29Å; L63-E295 HydrophobicContact CD2-CB 4.43Å; I66-E295 HydrophobicContact CG2-CG 4.29Å; H67-E295 HydrophobicContact CB-CB 4.18Å; H67-E295 IonicContact CD2-OE2 3.88Å; R70-E295 IonicContact CZ-OE1 3.05Å; R70-E295 IonicContact CZ-OE2 3.63Å; R70-E295 IonicContact NE-OE1 3.55Å; R70-E295 PolarHBondContact NE-OE1 2.88Å; R70-E295 IonicContact NE-OE2 3.85Å; R70-E295 IonicContact NH2-OE1 2.94Å; R70-E295 PolarHBondContact NH2-OE1 3.27Å; R70-E295 IonicContact NH2-OE2 2.7Å; R70-E295 PolarHBondContact NH2-OE2 3.43Å; C293-E295 VanDerWaalsContact C-N 3.35Å; C293-E295 PolarHBondContact O-N 3.43Å; E295-I298 PolarHBondContact O-N 3.46Å; E295-A299 VanDerWaalsContact O-CB 3.32Å; E295-A299 WeakPolarHBondContact O-CB 3.4Å; E295-A299 PolarHBondContact O-N 3.37Å
296L93Very high85.4Confident1 Ų148.6 Ų48.61%0.00528%0.278CS..Hα-helixtrans-69.3-41.9178-56-177.5000111T64 H67 Y131 V135 C293 V294 A299 W300T64-L296 HydrophobicContact CG2-CD2 3.81Å; H67-L296 HydrophobicContact CB-CD2 4.13Å; H67-L296 HydrophobicContact CB-CG 4.43Å; Y131-L296 HydrophobicContact CD1-CD2 4.17Å; Y131-L296 HydrophobicContact CE1-CD2 4.06Å; V135-L296 HydrophobicContact CB-CD1 3.74Å; V135-L296 HydrophobicContact CG1-CD1 3.63Å; V135-L296 HydrophobicContact CG2-CD1 4.23Å; C293-L296 HydrophobicContact CB-CB 4.49Å; C293-L296 HydrophobicContact CB-CD1 4.33Å; C293-L296 PolarHBondContact O-N 3.35Å; V294-L296 VanDerWaalsContact C-N 3.31Å; V294-L296 PolarHBondContact O-N 3.23Å; L296-A299 PolarHBondContact O-N 3.03Å; L296-W300 WeakPolarHBondContact O-CB 3.43Å; L296-W300 PolarHBondContact O-N 2.6Å
297N91.1Very high86.8Confident37 Ų3746.5 Ų46.520%0.19826%0.259CS..Hα-helixtrans-64.7-41.6174.4-69.6-19.4000111.5C293 V294 W300 V301 C429C293-N297 PolarHBondContact O-N 2.94Å; V294-N297 PolarHBondContact O-N 3.19Å; N297-W300 PolarHBondContact O-N 3.35Å; N297-V301 VanDerWaalsContact O-CG2 3.3Å; N297-V301 WeakPolarHBondContact O-CG2 3.12Å; N297-V301 PolarHBondContact O-N 2.79Å; N297-C429 WeakPolarHBondContact ND2-CB 3.08Å; N297-C429 PolarHBondContact OD1-SG 3.18Å
298I92.7Very high88.1Confident77 Ų7740.4 Ų40.440%0.39524%0.235SC..Hα-helixtrans-63.1-45.8175.7-69.9169.8000110.2L63 V294 E295 W300 V301 I302L63-I298 HydrophobicContact CD1-CB 4.43Å; L63-I298 HydrophobicContact CD1-CG2 3.83Å; V294-I298 HydrophobicContact CG1-CD1 3.64Å; V294-I298 HydrophobicContact CG1-CG1 4.27Å; V294-I298 WeakPolarHBondContact O-CB 3.49Å; V294-I298 VanDerWaalsContact O-CG1 3.25Å; V294-I298 WeakPolarHBondContact O-CG1 3.3Å; V294-I298 PolarHBondContact O-N 2.78Å; E295-I298 PolarHBondContact O-N 3.46Å; I298-W300 VanDerWaalsContact C-N 3.28Å; I298-W300 PolarHBondContact O-N 2.93Å; I298-V301 PolarHBondContact O-N 3.23Å; I298-I302 HydrophobicContact CG2-CD1 3.59Å; I298-I302 HydrophobicContact CG2-CG1 4.22Å; I298-I302 WeakPolarHBondContact O-CB 3.37Å; I298-I302 VanDerWaalsContact O-CG1 3.28Å; I298-I302 WeakPolarHBondContact O-CG1 3.45Å; I298-I302 PolarHBondContact O-N 2.8Å
299A94.1Very high89.6Confident1 Ų141 Ų411%0.00824%0.236CC..Hα-helixtrans-57.6-43.6176.500000111.3C60 L63 E295 L296 Q303C60-A299 HydrophobicContact CB-CB 4.1Å; C60-A299 PolarHBondContact SG-O 3.31Å; C60-A299 VanDerWaalsContact SG-O 3.32Å; L63-A299 HydrophobicContact CB-CB 4.04Å; L63-A299 HydrophobicContact CD1-CB 3.87Å; E295-A299 VanDerWaalsContact O-CB 3.32Å; E295-A299 WeakPolarHBondContact O-CB 3.4Å; E295-A299 PolarHBondContact O-N 3.37Å; L296-A299 PolarHBondContact O-N 3.03Å; A299-Q303 VanDerWaalsContact O-CB 3.3Å; A299-Q303 WeakPolarHBondContact O-CB 3.34Å; A299-Q303 PolarHBondContact O-N 3.5Å
300W91.7Very high90.9Very high14 Ų1438.9 Ų38.95%0.05322%0.221CC..Hα-helixtrans-63.8-45.3175.9177.9-105.6000113.1A158 L296 N297 I298 Q303 C304 V421 T422 Q425A158-W300 HydrophobicContact CB-CE3 4.5Å; A158-W300 HydrophobicContact CB-CH2 3.99Å; A158-W300 HydrophobicContact CB-CZ3 3.58Å; L296-W300 WeakPolarHBondContact O-CB 3.43Å; L296-W300 PolarHBondContact O-N 2.6Å; N297-W300 PolarHBondContact O-N 3.35Å; I298-W300 VanDerWaalsContact C-N 3.28Å; I298-W300 PolarHBondContact O-N 2.93Å; W300-Q303 VanDerWaalsContact CE3-OE1 3.22Å; W300-Q303 VanDerWaalsContact CZ3-OE1 3.23Å; W300-Q303 PolarHBondContact O-N 3.03Å; W300-C304 WeakPolarHBondContact CZ2-SG 3.19Å; W300-C304 PolarHBondContact NE1-SG 2.92Å; W300-C304 VanDerWaalsContact NE1-SG 3.41Å; W300-C304 PolarHBondContact O-N 2.98Å; W300-C304 PolarHBondContact O-SG 2.95Å; W300-V421 HydrophobicContact CD2-CG1 4.48Å; W300-V421 HydrophobicContact CH2-CB 4.1Å; W300-V421 HydrophobicContact CH2-CG1 3.58Å; W300-V421 HydrophobicContact CZ2-CB 3.53Å; W300-V421 HydrophobicContact CZ2-CG1 3.21Å; W300-V421 HydrophobicContact CZ2-CG2 4.44Å; W300-V421 HydrophobicContact CZ3-CG1 4.33Å; W300-T422 PolarHBondContact NE1-OG1 3.2Å; W300-Q425 VanDerWaalsContact CB-OE1 3.3Å
301V92.7Very high92.1Very high68 Ų6831.9 Ų31.941%0.41218%0.183SC..Hα-helixtrans-62.4-46.1177.71690000110.7N297 I298 Q303 C304 L305N297-V301 VanDerWaalsContact O-CG2 3.3Å; N297-V301 WeakPolarHBondContact O-CG2 3.12Å; N297-V301 PolarHBondContact O-N 2.79Å; I298-V301 PolarHBondContact O-N 3.23Å; V301-Q303 VanDerWaalsContact C-N 3.33Å; V301-Q303 PolarHBondContact O-N 3.27Å; V301-C304 PolarHBondContact O-N 2.91Å; V301-L305 HydrophobicContact CG1-CD1 3.76Å; V301-L305 HydrophobicContact CG1-CG 4.25Å; V301-L305 WeakPolarHBondContact O-CB 3.22Å; V301-L305 VanDerWaalsContact O-CG 3.3Å; V301-L305 WeakPolarHBondContact O-CG 3.28Å; V301-L305 PolarHBondContact O-N 2.98Å
302I94.6Very high92.9Very high40 Ų4038.2 Ų38.221%0.20521%0.209CC..Hα-helixtrans-57-49.8175.3-72.8170.1000109.9T56 L59 L63 I298 C304 L305 C306T56-I302 HydrophobicContact CG2-CG2 4.05Å; L59-I302 HydrophobicContact CD2-CD1 3.87Å; L59-I302 HydrophobicContact CD2-CG2 4.16Å; L59-I302 HydrophobicContact CG-CD1 4.3Å; L63-I302 HydrophobicContact CD1-CD1 3.88Å; I298-I302 HydrophobicContact CG2-CD1 3.59Å; I298-I302 HydrophobicContact CG2-CG1 4.22Å; I298-I302 WeakPolarHBondContact O-CB 3.37Å; I298-I302 VanDerWaalsContact O-CG1 3.28Å; I298-I302 WeakPolarHBondContact O-CG1 3.45Å; I298-I302 PolarHBondContact O-N 2.8Å; I302-C304 PolarHBondContact O-N 3.23Å; I302-L305 PolarHBondContact O-N 3.47Å; I302-C306 VanDerWaalsContact O-CB 3.25Å; I302-C306 WeakPolarHBondContact O-CB 3.09Å; I302-C306 PolarHBondContact O-N 3.27Å; I302-C306 PolarHBondContact O-SG 2.89Å
303Q94.7Very high93.4Very high3 Ų339.3 Ų39.31%0.01422%0.22CC..Hα-helixtrans-57.4-47.8177.8173.8173.654.400112.2A299 W300 V301 C306 L307A299-Q303 VanDerWaalsContact O-CB 3.3Å; A299-Q303 WeakPolarHBondContact O-CB 3.34Å; A299-Q303 PolarHBondContact O-N 3.5Å; W300-Q303 VanDerWaalsContact CE3-OE1 3.22Å; W300-Q303 VanDerWaalsContact CZ3-OE1 3.23Å; W300-Q303 PolarHBondContact O-N 3.03Å; V301-Q303 VanDerWaalsContact C-N 3.33Å; V301-Q303 PolarHBondContact O-N 3.27Å; Q303-C306 PolarHBondContact O-N 3Å; Q303-L307 HydrophobicContact CG-CD1 3.89Å; Q303-L307 HydrophobicContact CG-CG 4.39Å; Q303-L307 WeakPolarHBondContact O-CB 3.32Å; Q303-L307 VanDerWaalsContact O-CG 3.27Å; Q303-L307 WeakPolarHBondContact O-CG 3.48Å; Q303-L307 PolarHBondContact O-N 3.39Å
304C93.9Very high93.8Very high11 Ų1139.2 Ų39.27%0.07422%0.22CC..Hα-helixtrans-62.2-49179.6-69.90000111.6W300 V301 I302 C306 L307 L308 M418W300-C304 WeakPolarHBondContact CZ2-SG 3.19Å; W300-C304 PolarHBondContact NE1-SG 2.92Å; W300-C304 VanDerWaalsContact NE1-SG 3.41Å; W300-C304 PolarHBondContact O-N 2.98Å; W300-C304 PolarHBondContact O-SG 2.95Å; V301-C304 PolarHBondContact O-N 2.91Å; I302-C304 PolarHBondContact O-N 3.23Å; C304-C306 VanDerWaalsContact C-N 3.34Å; C304-C306 PolarHBondContact O-N 2.96Å; C304-L307 PolarHBondContact O-N 3.37Å; C304-L308 WeakPolarHBondContact O-CB 3.27Å; C304-L308 VanDerWaalsContact O-CG 3.31Å; C304-L308 WeakPolarHBondContact O-CG 3.44Å; C304-L308 PolarHBondContact O-N 3.35Å; C304-M418 HydrophobicContact CB-CG 4.48Å; C304-M418 HydrophobicContact CB-SD 3.72Å
305L94.4Very high94Very high104 Ų10442.5 Ų42.555%0.54522%0.224SC..Hα-helixtrans-62.7-41.9-180-69.9176.4000111.6V301 I302 S309V301-L305 HydrophobicContact CG1-CD1 3.76Å; V301-L305 HydrophobicContact CG1-CG 4.25Å; V301-L305 WeakPolarHBondContact O-CB 3.22Å; V301-L305 VanDerWaalsContact O-CG 3.3Å; V301-L305 WeakPolarHBondContact O-CG 3.28Å; V301-L305 PolarHBondContact O-N 2.98Å; I302-L305 PolarHBondContact O-N 3.47Å; L305-S309 VanDerWaalsContact O-CB 3.25Å; L305-S309 WeakPolarHBondContact O-CB 3.11Å; L305-S309 PolarHBondContact O-N 2.94Å; L305-S309 PolarHBondContact O-OG 2.88Å
306C95.7Very high94.2Very high20 Ų2041.5 Ų41.514%0.13522%0.219CC..Hα-helixtrans-65.2-48.4177.4-74.40000111.4F52 T56 I302 Q303 C304 L308 S309 I310F52-C306 HydrophobicContact CE1-CB 3.99Å; F52-C306 HydrophobicContact CZ-CB 4.44Å; T56-C306 HydrophobicContact CG2-CB 3.59Å; T56-C306 PolarHBondContact OG1-SG 2.97Å; T56-C306 VanDerWaalsContact OG1-SG 3.39Å; I302-C306 VanDerWaalsContact O-CB 3.25Å; I302-C306 WeakPolarHBondContact O-CB 3.09Å; I302-C306 PolarHBondContact O-N 3.27Å; I302-C306 PolarHBondContact O-SG 2.89Å; Q303-C306 PolarHBondContact O-N 3Å; C304-C306 VanDerWaalsContact C-N 3.34Å; C304-C306 PolarHBondContact O-N 2.96Å; C306-L308 PolarHBondContact O-N 3.02Å; C306-S309 PolarHBondContact O-N 3.44Å; C306-I310 VanDerWaalsContact O-CG1 3.28Å; C306-I310 WeakPolarHBondContact O-CG1 3.3Å; C306-I310 PolarHBondContact O-N 3.49Å
307L95.6Very high94.2Very high6 Ų644.7 Ų44.73%0.03123%0.234CC..Hα-helixtrans-64.9-38.9179.2-69.8179.5000112.1P161 L165 W171 Q303 C304 I310 A311 M418P161-L307 HydrophobicContact CB-CD1 4.06Å; L165-L307 HydrophobicContact CD1-CB 3.88Å; L165-L307 HydrophobicContact CD1-CD2 4.01Å; L165-L307 HydrophobicContact CD1-CG 4.46Å; L165-L307 VanDerWaalsContact CD1-O 3.31Å; L165-L307 WeakPolarHBondContact CD1-O 3.41Å; W171-L307 HydrophobicContact CH2-CD2 3.75Å; W171-L307 HydrophobicContact CZ3-CD2 4.1Å; Q303-L307 HydrophobicContact CG-CD1 3.89Å; Q303-L307 HydrophobicContact CG-CG 4.39Å; Q303-L307 WeakPolarHBondContact O-CB 3.32Å; Q303-L307 VanDerWaalsContact O-CG 3.27Å; Q303-L307 WeakPolarHBondContact O-CG 3.48Å; Q303-L307 PolarHBondContact O-N 3.39Å; C304-L307 PolarHBondContact O-N 3.37Å; L307-I310 PolarHBondContact O-N 2.88Å; L307-A311 WeakPolarHBondContact O-CB 3.38Å; L307-A311 PolarHBondContact O-N 3.15Å; L307-M418 HydrophobicContact CB-CE 3.57Å; L307-M418 HydrophobicContact CD1-CE 4.11Å
308L94.7Very high94.4Very high44 Ų4448.7 Ų48.723%0.2325%0.251CS..Hα-helixtrans-66.5-40.8173.8-73.8168000112C304 C306 I310 A311 F312 L414 L415 M418C304-L308 WeakPolarHBondContact O-CB 3.27Å; C304-L308 VanDerWaalsContact O-CG 3.31Å; C304-L308 WeakPolarHBondContact O-CG 3.44Å; C304-L308 PolarHBondContact O-N 3.35Å; C306-L308 PolarHBondContact O-N 3.02Å; L308-I310 VanDerWaalsContact C-N 3.35Å; L308-I310 PolarHBondContact O-N 3.28Å; L308-A311 PolarHBondContact O-N 3.06Å; L308-F312 WeakPolarHBondContact O-CB 3.46Å; L308-F312 PolarHBondContact O-N 3.33Å; L308-L414 HydrophobicContact CD2-CB 4.34Å; L308-L415 HydrophobicContact CD2-CB 4.46Å; L308-M418 HydrophobicContact CD1-SD 3.82Å; L308-M418 HydrophobicContact CD2-CE 4.42Å; L308-M418 HydrophobicContact CD2-SD 4.06Å; L308-M418 HydrophobicContact CG-CE 4.15Å; L308-M418 HydrophobicContact CG-SD 3.58Å; L308-M418 VanDerWaalsContact CG-SD 3.58Å
309S95.3Very high94.5Very high66 Ų6645.1 Ų45.146%0.46223%0.233SC..Hα-helixtrans-60.9-44.9175.6-60.40000111.4L305 C306 F312 A313L305-S309 VanDerWaalsContact O-CB 3.25Å; L305-S309 WeakPolarHBondContact O-CB 3.11Å; L305-S309 PolarHBondContact O-N 2.94Å; L305-S309 PolarHBondContact O-OG 2.88Å; C306-S309 PolarHBondContact O-N 3.44Å; S309-F312 PolarHBondContact O-N 2.84Å; S309-A313 VanDerWaalsContact O-CB 3.24Å; S309-A313 WeakPolarHBondContact O-CB 3.33Å; S309-A313 PolarHBondContact O-N 2.97Å
310I95.6Very high94.6Very high2 Ų247.7 Ų47.71%0.0125%0.246CC..Hα-helixtrans-59.9-50.1173.7-70.7172.5000110F52 C53 L169 W171 C306 L307 L308 F312 A313 V314F52-I310 HydrophobicContact CD1-CD1 3.78Å; F52-I310 HydrophobicContact CD1-CG1 3.71Å; F52-I310 HydrophobicContact CE1-CD1 4.47Å; F52-I310 HydrophobicContact CE1-CG1 4.21Å; C53-I310 HydrophobicContact CB-CD1 4.32Å; L169-I310 HydrophobicContact CD1-CG2 3.3Å; W171-I310 HydrophobicContact CH2-CD1 4.08Å; W171-I310 HydrophobicContact CH2-CG2 4.47Å; W171-I310 HydrophobicContact CZ2-CD1 3.93Å; W171-I310 HydrophobicContact CZ2-CG2 4.02Å; C306-I310 VanDerWaalsContact O-CG1 3.28Å; C306-I310 WeakPolarHBondContact O-CG1 3.3Å; C306-I310 PolarHBondContact O-N 3.49Å; L307-I310 PolarHBondContact O-N 2.88Å; L308-I310 VanDerWaalsContact C-N 3.35Å; L308-I310 PolarHBondContact O-N 3.28Å; I310-F312 PolarHBondContact O-N 3Å; I310-A313 PolarHBondContact O-N 3.27Å; I310-V314 HydrophobicContact CB-CG2 4.38Å; I310-V314 HydrophobicContact CG2-CB 4.46Å; I310-V314 HydrophobicContact CG2-CG2 3.89Å; I310-V314 VanDerWaalsContact O-CB 3.3Å; I310-V314 WeakPolarHBondContact O-CB 3.28Å; I310-V314 VanDerWaalsContact O-CG2 3.23Å; I310-V314 WeakPolarHBondContact O-CG2 3.42Å; I310-V314 PolarHBondContact O-N 3.02Å
311A94.6Very high94.8Very high1 Ų147.2 Ų47.21%0.00825%0.245CC..Hα-helixtrans-59.2-34.6-17800000112.6L165 L307 L308 H407 L411 L414L165-A311 HydrophobicContact CD1-CB 4.19Å; L165-A311 HydrophobicContact CD2-CB 3.68Å; L307-A311 WeakPolarHBondContact O-CB 3.38Å; L307-A311 PolarHBondContact O-N 3.15Å; L308-A311 PolarHBondContact O-N 3.06Å; A311-H407 PolarHBondContact O-NE2 3.04Å; A311-L411 HydrophobicContact CB-CD2 3.66Å; A311-L414 HydrophobicContact CB-CD1 3.8Å
312F94.2Very high94.8Very high161 Ų16145.6 Ų45.671%0.70624%0.235SC*.Hα-helixtrans-80.4-42.3179.5-175.5-95.7000112.8L308 S309 I310 L411L308-F312 WeakPolarHBondContact O-CB 3.46Å; L308-F312 PolarHBondContact O-N 3.33Å; S309-F312 PolarHBondContact O-N 2.84Å; I310-F312 PolarHBondContact O-N 3Å; F312-L411 HydrophobicContact CD2-CD1 4.47Å
313A94.4Very high94.8Very high63 Ų6343.7 Ų43.752%0.52123%0.225SC..Hα-helixtrans-89.8-26.6-170.300000114.2W48 S309 I310W48-A313 HydrophobicContact CH2-CB 4.42Å; S309-A313 VanDerWaalsContact O-CB 3.24Å; S309-A313 WeakPolarHBondContact O-CB 3.33Å; S309-A313 PolarHBondContact O-N 2.97Å; I310-A313 PolarHBondContact O-N 3.27Å
314V94.6Very high94.8Very high4 Ų444.7 Ų44.72%0.02423%0.231CC..  trans-96.7130.8-170.1-1720000111.1W48 L169 I310 I319W48-V314 HydrophobicContact CH2-CG2 3.24Å; W48-V314 HydrophobicContact CZ2-CB 4.18Å; W48-V314 HydrophobicContact CZ2-CG1 4.38Å; W48-V314 HydrophobicContact CZ2-CG2 3.19Å; W48-V314 HydrophobicContact CZ3-CG2 4.07Å; L169-V314 HydrophobicContact CD1-CB 4.35Å; L169-V314 HydrophobicContact CD1-CG1 4.27Å; L169-V314 HydrophobicContact CD2-CB 4.24Å; L169-V314 HydrophobicContact CD2-CG1 3.69Å; I310-V314 HydrophobicContact CB-CG2 4.38Å; I310-V314 HydrophobicContact CG2-CB 4.46Å; I310-V314 HydrophobicContact CG2-CG2 3.89Å; I310-V314 VanDerWaalsContact O-CB 3.3Å; I310-V314 WeakPolarHBondContact O-CB 3.28Å; I310-V314 VanDerWaalsContact O-CG2 3.23Å; I310-V314 WeakPolarHBondContact O-CG2 3.42Å; I310-V314 PolarHBondContact O-N 3.02Å; V314-I319 HydrophobicContact CG1-CD1 3.75Å; V314-I319 HydrophobicContact CG1-CG1 3.99Å
315R94.5Very high94.9Very high149 Ų14944.3 Ų44.356%0.56223%0.228SC*.  trans-97.3119.2171.3-68.7-176.2-175.8-178.10.1110.2E317 E318R315-E317 HydrophobicContact CB-CG 4.35Å; R315-E317 PolarHBondContact O-N 3.09Å; R315-E318 HydrophobicContact CB-CB 4.48Å; R315-E318 HydrophobicContact CB-CG 4.07Å; R315-E318 WeakPolarHBondContact CD-OE1 3.48Å; R315-E318 IonicContact NH1-OE1 2.83Å; R315-E318 PolarHBondContact O-N 3.5Å; R315-E318 VanDerWaalsContact O-N 3.12Å
316P95.3Very high94.9Very high0 Ų039.5 Ų39.50%020%0.203CC..G310 helixtrans-57.5-34.6-178.7-26.934.4000113.8L169 E318 I319 G401 K402 F404L169-P316 HydrophobicContact CD2-CB 4.21Å; L169-P316 HydrophobicContact CD2-CG 3.9Å; P316-E318 PolarHBondContact O-N 2.83Å; P316-I319 WeakPolarHBondContact O-CB 3.34Å; P316-I319 PolarHBondContact O-N 3.2Å; P316-G401 CarbonylContact O-C 3.49Å; P316-G401 VanDerWaalsContact O-CA 3.22Å; P316-G401 WeakPolarHBondContact O-CA 2.97Å; P316-K402 WeakPolarHBondContact CB-O 3.15Å; P316-F404 VanDerWaalsContact CD-CD2 3.43Å; P316-F404 HydrophobicContact CG-CD1 3.96Å; P316-F404 HydrophobicContact CG-CD2 3.54Å; P316-F404 HydrophobicContact CG-CE1 3.68Å; P316-F404 HydrophobicContact CG-CE2 3.26Å; P316-F404 HydrophobicContact CG-CG 3.89Å; P316-F404 HydrophobicContact CG-CZ 3.32Å
317E94.5Very high94.9Very high68 Ų6839.6 Ų39.632%0.31820%0.203SC..G310 helixtrans-64.3-19.9179.262.4-88.3-156.600113.9R315 H383 G401 A403R315-E317 HydrophobicContact CB-CG 4.35Å; R315-E317 PolarHBondContact O-N 3.09Å; E317-H383 PolarHBondContact O-NE2 3.29Å; E317-G401 WeakPolarHBondContact CA-O 3.37Å; E317-A403 HydrophobicContact CB-CB 4.4Å; E317-A403 VanDerWaalsContact OE2-CA 3.3Å; E317-A403 WeakPolarHBondContact OE2-CA 3.4Å; E317-A403 WeakPolarHBondContact OE2-CB 3.12Å
318E94.3Very high94.8Very high120 Ų12039.3 Ų39.356%0.56120%0.202SC*.G310 helixtrans-89.3-8.9175.8-63.4174.8-17800112.2R315 P316R315-E318 HydrophobicContact CB-CB 4.48Å; R315-E318 HydrophobicContact CB-CG 4.07Å; R315-E318 WeakPolarHBondContact CD-OE1 3.48Å; R315-E318 IonicContact NH1-OE1 2.83Å; R315-E318 PolarHBondContact O-N 3.5Å; R315-E318 VanDerWaalsContact O-N 3.12Å; P316-E318 PolarHBondContact O-N 2.83Å
319I95.5Very high94.7Very high3 Ų337.3 Ų37.32%0.01519%0.192CC..  trans-85.4125.3-177.2-60.7-61.5000110.6H47 L169 L170 V314 P316 G401H47-I319 VanDerWaalsContact NE2-CG2 3.3Å; H47-I319 WeakPolarHBondContact NE2-CG2 3.44Å; L169-I319 HydrophobicContact CD2-CG1 4.29Å; L170-I319 HydrophobicContact CB-CG2 4.45Å; V314-I319 HydrophobicContact CG1-CD1 3.75Å; V314-I319 HydrophobicContact CG1-CG1 3.99Å; P316-I319 WeakPolarHBondContact O-CB 3.34Å; P316-I319 PolarHBondContact O-N 3.2Å; I319-G401 PolarHBondContact O-N 2.94Å
320I95.4Very high94.5Very high54 Ų5443.6 Ų43.628%0.27721%0.205SC..EExtended strand (participates in β ladder)trans-111.9122.8175.9-56.9179.1000107.8D46 C384 T398D46-I320 HydrophobicContact CB-CB 4.42Å; D46-I320 PolarHBondContact O-N 2.97Å; I320-C384 HydrophobicContact CD1-CB 4.32Å; I320-C384 HydrophobicContact CG1-CB 4.44Å; I320-T398 HydrophobicContact CG2-CG2 3.37Å
321S95.6Very high94.3Very high4 Ų445.6 Ų45.63%0.02822%0.219CC..EExtended strand (participates in β ladder)trans-112.8112176-162.90000108.8T398 I399S321-T398 WeakPolarHBondContact O-CA 3.28Å; S321-I399 PolarHBondContact N-O 2.04Å; S321-I399 WeakPolarHBondContact O-CG1 2.9Å; S321-I399 PolarHBondContact O-N 3.08Å
322T94.4Very high94.1Very high34 Ų3448 Ų4821%0.20924%0.244CC..EExtended strand (participates in β ladder)trans-108.8119.9173.5-61.60000108.7T398T322-T398 WeakPolarHBondContact OG1-CG2 3.47Å; T322-T398 PolarHBondContact OG1-OG1 3.42Å
323G94.3Very high94Very high0 Ų042.6 Ų42.60%022%0.224CC..EExtended strand (participates in β ladder)trans172.2-160.6-177.500000113.5H325 W396 Y397G323-H325 PolarHBondContact O-CD2 2.98Å; G323-W396 WeakPolarHBondContact O-CA 3.09Å; G323-Y397 PolarHBondContact N-O 3.21Å; G323-Y397 VanDerWaalsContact N-O 3.16Å; G323-Y397 PolarHBondContact O-N 2.82Å; G323-Y397 VanDerWaalsContact O-N 3.12Å
324L94.6Very high93.9Very high25 Ų2547.2 Ų47.213%0.13123%0.228CC..EExtended strand (participates in β ladder)trans-78.7125.9175.4-167.282000110.3W104 R116 E395 W396W104-L324 WeakPolarHBondContact CB-O 3.41Å; R116-L324 HydrophobicContact CG-CD2 4.35Å; L324-E395 WeakPolarHBondContact CA-O 3.17Å; L324-E395 HydrophobicContact CD1-CB 3.59Å; L324-W396 HydrophobicContact CB-CE3 4.32Å
325H95.4Very high93.6Very high2 Ų249.9 Ų49.91%0.00924%0.242CC..EExtended strand (participates in β ladder)trans-133.7-176.8176.9-61.5-60.5000110.6W104 T173 G323 P327 E395 Y397W104-H325 VanDerWaalsContact CD1-O 3.26Å; W104-H325 VanDerWaalsContact NE1-C 3.27Å; W104-H325 PolarHBondContact NE1-O 3.45Å; T173-H325 PolarHBondContact OG1-ND1 3.42Å; G323-H325 PolarHBondContact O-CD2 2.98Å; H325-P327 WeakPolarHBondContact O-CD 3.41Å; H325-E395 PolarHBondContact N-O 2.93Å; H325-Y397 HydrophobicContact CB-CE1 3.75Å; H325-Y397 HydrophobicContact CB-CE2 4.01Å; H325-Y397 VanDerWaalsContact CB-CZ 3.41Å; H325-Y397 VanDerWaalsContact CB-OH 3.25Å; H325-Y397 WeakPolarHBondContact CB-OH 3.31Å; H325-Y397 PolarHBondContact CD2-O 2.63Å
326Q94.9Very high93.2Very high4 Ų446.2 Ų46.22%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-54.4126.4171.3-174.6179.7-0.500108.6W104 H175 S176 I328 E367 L370 Y397W104-Q326 HydrophobicContact CD2-CB 4.48Å; W104-Q326 HydrophobicContact CE3-CB 4.26Å; W104-Q326 HydrophobicContact CH2-CB 3.75Å; W104-Q326 HydrophobicContact CH2-CG 3.86Å; W104-Q326 HydrophobicContact CZ2-CB 3.99Å; W104-Q326 HydrophobicContact CZ2-CG 4.23Å; W104-Q326 HydrophobicContact CZ3-CB 3.89Å; W104-Q326 HydrophobicContact CZ3-CG 4.35Å; H175-Q326 PolarHBondContact CE1-NE2 2.96Å; H175-Q326 VanDerWaalsContact CE1-NE2 3.25Å; H175-Q326 PolarHBondContact NE2-NE2 2.89Å; S176-Q326 PolarHBondContact OG-NE2 3.43Å; S176-Q326 PolarHBondContact OG-OE1 3.35Å; Q326-I328 PolarHBondContact O-N 2.89Å; Q326-E367 PolarHBondContact NE2-O 3.12Å; Q326-E367 VanDerWaalsContact NE2-O 3.09Å; Q326-L370 HydrophobicContact CB-CB 4.26Å; Q326-L370 HydrophobicContact CG-CB 4.18Å; Q326-Y397 VanDerWaalsContact O-CE1 3.31Å; Q326-Y397 WeakPolarHBondContact O-CE1 3.29Å; Q326-Y397 PolarHBondContact O-OH 2.86Å
327P94.9Very high92.6Very high22 Ų2247.2 Ų47.214%0.14325%0.25CC..EExtended strand (participates in β ladder)trans-56.7137.3-174.9-28.136.2000112.1H325 F369 L370 I394 E395H325-P327 WeakPolarHBondContact O-CD 3.41Å; P327-F369 HydrophobicContact CB-CD1 3.88Å; P327-F369 HydrophobicContact CB-CE1 4.13Å; P327-F369 CarbonylContact O-C 3.46Å; P327-F369 WeakPolarHBondContact O-CA 3.28Å; P327-L370 PolarHBondContact O-N 3.09Å; P327-I394 CarbonylContact C-O 3.55Å; P327-I394 WeakPolarHBondContact CA-O 3.2Å; P327-E395 HydrophobicContact CB-CG 4.05Å; P327-E395 HydrophobicContact CG-CB 4.49Å; P327-E395 HydrophobicContact CG-CG 3.9Å
328I94.4Very high91.9Very high0 Ų048.8 Ų48.80%027%0.265CS..EExtended strand (participates in β ladder)trans-88.6137.9169.4-67.6167.8000108.2Q326 L370 P372 F382 P388 P393 I394 Y397Q326-I328 PolarHBondContact O-N 2.89Å; I328-L370 HydrophobicContact CG1-CB 4.15Å; I328-L370 HydrophobicContact CG1-CD2 4.22Å; I328-P372 HydrophobicContact CD1-CG 4.11Å; I328-P372 HydrophobicContact CG1-CG 4.25Å; I328-P372 HydrophobicContact CG2-CG 3.64Å; I328-F382 HydrophobicContact CD1-CE1 4.32Å; I328-F382 HydrophobicContact CD1-CZ 4.01Å; I328-P388 HydrophobicContact CD1-CB 3.79Å; I328-P388 HydrophobicContact CD1-CG 3.63Å; I328-P393 VanDerWaalsContact O-CA 3.25Å; I328-P393 WeakPolarHBondContact O-CA 3.24Å; I328-I394 PolarHBondContact N-O 3.32Å; I328-I394 PolarHBondContact O-N 2.97Å; I328-Y397 HydrophobicContact CD1-CD1 3.9Å; I328-Y397 HydrophobicContact CD1-CD2 3.83Å; I328-Y397 HydrophobicContact CD1-CE1 3.71Å; I328-Y397 HydrophobicContact CD1-CE2 3.63Å; I328-Y397 HydrophobicContact CD1-CG 3.96Å; I328-Y397 HydrophobicContact CG1-CD1 4.34Å; I328-Y397 HydrophobicContact CG1-CE1 3.78Å; I328-Y397 HydrophobicContact CG1-CE2 4.33Å
329G92.2Very high91.1Very high2 Ų243.8 Ų43.82%0.02125%0.245CC..  trans-172.8-150-178.800000111.2C331 E390G329-C331 PolarHBondContact O-N 2.78Å; G329-C331 VanDerWaalsContact O-N 3.12Å; G329-E390 CarbonylContact C-O 3.46Å
330R91.4Very high90Very high198 Ų19847 Ų4775%0.74726%0.26SS*.SBendtrans-69.8111.2-178.4-171.9178.3-175.1171.71.9111.2T333R330-T333 WeakPolarHBondContact O-CB 3.27Å; R330-T333 PolarHBondContact O-N 2.87Å; R330-T333 PolarHBondContact O-OG1 2.8Å
331C90.6Very high88.5Confident43 Ų4345.9 Ų45.929%0.29126%0.255SS..THydrogen-bonded Turntrans-51.4146.5172.9-80.70000113.9G329 T333 C371G329-C331 PolarHBondContact O-N 2.78Å; G329-C331 VanDerWaalsContact O-N 3.12Å; C331-T333 PolarHBondContact O-N 3.49Å; C331-C371 WeakPolarHBondContact CA-SG 3.39Å; C331-C371 HydrophobicContact CB-CB 4.37Å; C331-C371 WeakPolarHBondContact CB-SG 3.36Å; C331-C371 WeakPolarHBondContact SG-CA 3.48Å; C331-C371 WeakPolarHBondContact SG-CB 3.05Å; C331-C371 CovalentContact SG-SG 2.04Å; C331-C371 PolarHBondContact SG-SG 3.21Å
332G89.7Confident86.6Confident53 Ų5349.6 Ų49.655%0.54627%0.274SS..THydrogen-bonded Turntrans75.9-1.3-179.200000114.9R334G332-R334 PolarHBondContact O-N 2.76Å; G332-R334 VanDerWaalsContact O-N 3.14Å
333T92.5Very high84.3Confident47 Ų4752.5 Ų52.529%0.28830%0.296SS..  trans-71.6107.6172.6-53.10000109.2R330 C331 R368 F369R330-T333 WeakPolarHBondContact O-CB 3.27Å; R330-T333 PolarHBondContact O-N 2.87Å; R330-T333 PolarHBondContact O-OG1 2.8Å; C331-T333 PolarHBondContact O-N 3.49Å; T333-R368 HydrophobicContact CG2-CB 4.34Å; T333-R368 WeakPolarHBondContact O-CB 3.4Å; T333-R368 PolarHBondContact O-N 3.48Å; T333-F369 HydrophobicContact CG2-CD2 4.35Å; T333-F369 HydrophobicContact CG2-CE2 4.21Å
334R92Very high81.9Confident159 Ų15954.4 Ų54.460%0.631%0.307SS*.EExtended strand (participates in β ladder)trans-95.5149.7176-68.6-170.5173.3145.35.3112.3G332 M366 E367G332-R334 PolarHBondContact O-N 2.76Å; G332-R334 VanDerWaalsContact O-N 3.14Å; R334-M366 CarbonylContact C-O 3.56Å; R334-M366 VanDerWaalsContact CA-O 3.28Å; R334-M366 WeakPolarHBondContact CA-O 3.46Å; R334-E367 HydrophobicContact CG-CG 4.48Å
335I89.4Confident79.5Confident60 Ų6059.4 Ų59.431%0.30833%0.328SS..EExtended strand (participates in β ladder)trans-119.4146.3169.151.8168.6000108.6E365 M366 R368I335-E365 WeakPolarHBondContact O-CA 3.45Å; I335-M366 HydrophobicContact CD1-CE 4.12Å; I335-M366 HydrophobicContact CD1-CG 4.1Å; I335-M366 HydrophobicContact CD1-SD 4.4Å; I335-M366 HydrophobicContact CG1-CG 3.75Å; I335-M366 PolarHBondContact N-O 3.3Å; I335-M366 PolarHBondContact O-N 3.43Å; I335-M366 VanDerWaalsContact O-N 3.08Å; I335-R368 HydrophobicContact CG1-CB 4.33Å; I335-R368 HydrophobicContact CG2-CB 3.91Å; I335-R368 HydrophobicContact CG2-CG 4.21Å
336A85.7Confident77.3Confident72 Ų7264.6 Ų64.660%0.59536%0.364SS*.EExtended strand (participates in β ladder)trans-113.1125.5172.300000108.6F364 E365A336-F364 CarbonylContact C-O 3Å; A336-F364 VanDerWaalsContact CA-O 3.29Å; A336-F364 WeakPolarHBondContact CA-O 3.46Å; A336-E365 HydrophobicContact CB-CG 4.31Å
337T82.5Confident75.1Confident22 Ų2272.5 Ų72.514%0.13540%0.399CS..EExtended strand (participates in β ladder)trans-114.5132.6174.751.50000109.5N99 G363 F364 M366N99-T337 WeakPolarHBondContact OD1-CB 3.39Å; N99-T337 PolarHBondContact OD1-OG1 2.86Å; T337-G363 CarbonylContact O-C 3.59Å; T337-G363 WeakPolarHBondContact O-CA 3.25Å; T337-F364 PolarHBondContact N-O 2.77Å; T337-F364 PolarHBondContact O-N 2.74Å; T337-M366 HydrophobicContact CG2-CE 3.69Å; T337-M366 VanDerWaalsContact OG1-CE 3.3Å; T337-M366 WeakPolarHBondContact OG1-CE 3.41Å
338P80.6Confident72.7Confident100 Ų10075.5 Ų75.565%0.64941%0.41SS*.EExtended strand (participates in β ladder)trans-66.9140.9178.927.9-33.4000110.1N99 M340N99-P338 PolarHBondContact ND2-O 2.87Å; P338-M340 PolarHBondContact O-N 3.24Å
339A77.2Confident70.6Confident15 Ų1581.9 Ų81.912%0.12444%0.438CS..  trans-62.6135.6168.600000110.1E247 V251 L341 Q362 F364E247-A339 WeakPolarHBondContact OE1-CA 3.32Å; V251-A339 HydrophobicContact CG2-CB 3.96Å; A339-L341 HydrophobicContact CB-CG 4.44Å; A339-L341 PolarHBondContact O-N 2.91Å; A339-Q362 VanDerWaalsContact CB-O 3.27Å; A339-Q362 WeakPolarHBondContact CB-O 3.26Å; A339-Q362 PolarHBondContact N-O 3.04Å; A339-F364 HydrophobicContact CB-CE2 4.14Å; A339-F364 HydrophobicContact CB-CZ 4.42Å
340M72.3Confident68.7Low71 Ų7191.3 Ų91.335%0.3547%0.474SS..  trans-80.270.5174-159.5176.9-67.400109.5F97 L244 E247 N248 P338 L342F97-M340 HydrophobicContact CD1-CE 3.64Å; F97-M340 HydrophobicContact CD1-SD 3.63Å; F97-M340 HydrophobicContact CE1-CE 4.15Å; F97-M340 HydrophobicContact CE1-SD 3.58Å; F97-M340 VanDerWaalsContact CE1-SD 3.58Å; L244-M340 HydrophobicContact CD2-CB 4.19Å; L244-M340 HydrophobicContact CD2-CG 3.81Å; L244-M340 HydrophobicContact CD2-SD 3.73Å; E247-M340 PolarHBondContact OE1-N 2.86Å; E247-M340 VanDerWaalsContact OE2-CB 3.28Å; E247-M340 WeakPolarHBondContact OE2-CB 3.25Å; E247-M340 PolarHBondContact OE2-N 3.38Å; N248-M340 PolarHBondContact ND2-O 3.44Å; P338-M340 PolarHBondContact O-N 3.24Å; M340-L342 PolarHBondContact O-N 3.12Å
341L63.2Low67Low30 Ų3086.6 Ų86.616%0.15747%0.468CS..  trans-60.6130.7169.7-66.2169.8000107.7N248 A339 S343 L359N248-L341 WeakPolarHBondContact OD1-CA 3.38Å; N248-L341 VanDerWaalsContact OD1-CD2 3.31Å; N248-L341 WeakPolarHBondContact OD1-CD2 3.44Å; A339-L341 HydrophobicContact CB-CG 4.44Å; A339-L341 PolarHBondContact O-N 2.91Å; L341-S343 PolarHBondContact O-N 3.04Å; L341-L359 VanDerWaalsContact CD1-C 3.47Å; L341-L359 HydrophobicContact CD1-CB 3.74Å; L341-L359 HydrophobicContact CD2-CB 4.4Å
342L55.9Low65.4Low83 Ų8390.5 Ų90.544%0.43548%0.477SS..  trans-46.5121.5163-82.8163.1000105.2L244 N248 M340 V344L244-L342 HydrophobicContact CB-CG 4.46Å; L244-L342 HydrophobicContact CD1-CD2 4.01Å; N248-L342 PolarHBondContact ND2-N 2.92Å; N248-L342 PolarHBondContact OD1-N 3.35Å; M340-L342 PolarHBondContact O-N 3.12Å; L342-V344 HydrophobicContact CB-CG2 4.33Å; L342-V344 WeakPolarHBondContact O-CG2 3.02Å; L342-V344 PolarHBondContact O-N 3.35Å
343S47.1Very low63.8Low95 Ų9590.4 Ų90.466%0.66447%0.471SS*.  trans-68.185.4-173.1720000108.2L341 K345L341-S343 PolarHBondContact O-N 3.04Å; S343-K345 PolarHBondContact O-N 2.9Å
344V43.5Very low62.2Low39 Ų3995.5 Ų95.524%0.23649%0.491CS..THydrogen-bonded Turntrans-8025.7174.8-153.80000109.9L342 S346 F347 F348L342-V344 HydrophobicContact CB-CG2 4.33Å; L342-V344 WeakPolarHBondContact O-CG2 3.02Å; L342-V344 PolarHBondContact O-N 3.35Å; V344-S346 PolarHBondContact O-N 2.57Å; V344-S346 VanDerWaalsContact O-N 3.09Å; V344-F347 HydrophobicContact CG1-CB 3.37Å; V344-F347 HydrophobicContact CG1-CG 4.44Å; V344-F347 PolarHBondContact O-N 3.17Å; V344-F348 HydrophobicContact CB-CB 4.4Å; V344-F348 HydrophobicContact CB-CD2 3.64Å; V344-F348 HydrophobicContact CB-CE2 4.44Å; V344-F348 HydrophobicContact CB-CG 4.45Å; V344-F348 HydrophobicContact CG1-CB 4.03Å; V344-F348 HydrophobicContact CG1-CD2 3.14Å; V344-F348 HydrophobicContact CG1-CE2 3.8Å; V344-F348 HydrophobicContact CG1-CG 3.85Å; V344-F348 HydrophobicContact CG2-CD2 4.13Å; V344-F348 PolarHBondContact O-N 3.36Å
345K43.5Very low60.8Low131 Ų13191.4 Ų91.457%0.5748%0.481SS*.THydrogen-bonded Turntrans-55-23.4171.5-78.1-168.5176.4179.50112S343 K349 Y356S343-K345 PolarHBondContact O-N 2.9Å; K345-K349 WeakPolarHBondContact O-CB 3.28Å; K345-Y356 WeakPolarHBondContact CE-OH 3.46Å; K345-Y356 HydrophobicContact CG-CE1 4.1Å; K345-Y356 HydrophobicContact CG-CE2 4.22Å; K345-Y356 WeakPolarHBondContact CG-OH 3.39Å
346S49Very low59.1Low111 Ų11191.3 Ų91.378%0.77648%0.477SS*.THydrogen-bonded Turntrans-95.8-35.3177.1-61.30000113.8V344V344-S346 PolarHBondContact O-N 2.57Å; V344-S346 VanDerWaalsContact O-N 3.09Å
347F49.4Very low57.8Low170 Ų17092.4 Ų92.475%0.74647%0.472SS*.THydrogen-bonded Turntrans-89.8-31-174.7-156-94.6000113.1V344V344-F347 HydrophobicContact CG1-CB 3.37Å; V344-F347 HydrophobicContact CG1-CG 4.44Å; V344-F347 PolarHBondContact O-N 3.17Å
348F44.3Very low56.7Low85 Ų8596 Ų9637%0.37349%0.489SS..THydrogen-bonded Turntrans-107.5-9.3-175.9-80.3-54.9000115.2V344 Y350 T351 Y352V344-F348 HydrophobicContact CB-CB 4.4Å; V344-F348 HydrophobicContact CB-CD2 3.64Å; V344-F348 HydrophobicContact CB-CE2 4.44Å; V344-F348 HydrophobicContact CB-CG 4.45Å; V344-F348 HydrophobicContact CG1-CB 4.03Å; V344-F348 HydrophobicContact CG1-CD2 3.14Å; V344-F348 HydrophobicContact CG1-CE2 3.8Å; V344-F348 HydrophobicContact CG1-CG 3.85Å; V344-F348 HydrophobicContact CG2-CD2 4.13Å; V344-F348 PolarHBondContact O-N 3.36Å; F348-Y350 PolarHBondContact O-N 2.91Å; F348-T351 PolarHBondContact O-N 3.33Å; F348-Y352 AromaticContact CD1-CD2 3.62Å; F348-Y352 HydrophobicContact CD1-CD2 3.62Å; F348-Y352 HydrophobicContact CD1-CG 4.24Å; F348-Y352 AromaticContact CE1-CD2 3.7Å; F348-Y352 HydrophobicContact CE1-CD2 3.7Å; F348-Y352 HydrophobicContact CE1-CE2 4.31Å; F348-Y352 HydrophobicContact CE1-CG 4.49Å; F348-Y352 CarbonylContact O-C 3.45Å; F348-Y352 PolarHBondContact O-N 3.07Å
349K51Low55.6Low134 Ų13492.9 Ų92.958%0.58347%0.466SS*.THydrogen-bonded Turntrans-56.7-27.2-177.9178.9178.9-176.1-171.20113.4K345K345-K349 WeakPolarHBondContact O-CB 3.28Å
350Y52.6Low54.6Low199 Ų19994.7 Ų94.778%0.7848%0.478SS*.THydrogen-bonded Turntrans-95.4-28.5-178.3-66.3-70.9000114.6F348F348-Y350 PolarHBondContact O-N 2.91Å
351T54.8Low54Low100 Ų100101 Ų10161%0.61350%0.498SS*.THydrogen-bonded Turntrans-110.1-27.9-172.4-360000113.9F348F348-T351 PolarHBondContact O-N 3.33Å
352Y57.8Low54.1Low124 Ų124102.3 Ų102.349%0.48650%0.503SS..  trans-141.343.5-174.1-63.8-80.8000112.6F348 H354 I355 Y356F348-Y352 AromaticContact CD1-CD2 3.62Å; F348-Y352 HydrophobicContact CD1-CD2 3.62Å; F348-Y352 HydrophobicContact CD1-CG 4.24Å; F348-Y352 AromaticContact CE1-CD2 3.7Å; F348-Y352 HydrophobicContact CE1-CD2 3.7Å; F348-Y352 HydrophobicContact CE1-CE2 4.31Å; F348-Y352 HydrophobicContact CE1-CG 4.49Å; F348-Y352 CarbonylContact O-C 3.45Å; F348-Y352 PolarHBondContact O-N 3.07Å; Y352-H354 PolarHBondContact O-N 2.8Å; Y352-H354 VanDerWaalsContact O-N 3.15Å; Y352-I355 HydrophobicContact CD1-CD1 3.48Å; Y352-I355 VanDerWaalsContact CD1-CD1 3.48Å; Y352-I355 HydrophobicContact CD1-CG1 4.25Å; Y352-I355 HydrophobicContact CE1-CD1 4.23Å; Y352-I355 HydrophobicContact CG-CD1 4.03Å; Y352-I355 PolarHBondContact O-N 3.06Å; Y352-Y356 PolarHBondContact O-N 3.11Å
353A56.5Low55Low51 Ų51100 Ų10042%0.42150%0.5SS..Hα-helixtrans-52-36.6177.500000112.8Y356 L357A353-Y356 PolarHBondContact O-N 3.41Å; A353-L357 WeakPolarHBondContact O-CB 3.37Å; A353-L357 PolarHBondContact O-N 3.25Å
354H58.1Low56.7Low154 Ų15496.1 Ų96.171%0.71347%0.471SS*.Hα-helixtrans-63.7-42.1175.3-93.1-87.5000113.5Y352 M358Y352-H354 PolarHBondContact O-N 2.8Å; Y352-H354 VanDerWaalsContact O-N 3.15Å; H354-M358 HydrophobicContact CB-CE 4.3Å; H354-M358 WeakPolarHBondContact O-CB 3.28Å; H354-M358 WeakPolarHBondContact O-CE 3.5Å; H354-M358 WeakPolarHBondContact O-CG 3.35Å; H354-M358 PolarHBondContact O-N 3.41Å
355I61.9Low58.9Low74 Ų74100.3 Ų100.338%0.37949%0.488SS..Hα-helixtrans-68.5-45.4177.9-58.9-178.8000109.6Y352 L357 M358 L359Y352-I355 HydrophobicContact CD1-CD1 3.48Å; Y352-I355 VanDerWaalsContact CD1-CD1 3.48Å; Y352-I355 HydrophobicContact CD1-CG1 4.25Å; Y352-I355 HydrophobicContact CE1-CD1 4.23Å; Y352-I355 HydrophobicContact CG-CD1 4.03Å; Y352-I355 PolarHBondContact O-N 3.06Å; I355-L357 PolarHBondContact O-N 2.96Å; I355-M358 PolarHBondContact O-N 3.32Å; I355-L359 HydrophobicContact CG2-CD1 3.73Å; I355-L359 HydrophobicContact CG2-CG 4.2Å; I355-L359 WeakPolarHBondContact O-CB 3.42Å; I355-L359 VanDerWaalsContact O-CG 3.31Å; I355-L359 WeakPolarHBondContact O-CG 3.41Å; I355-L359 PolarHBondContact O-N 3.29Å
356Y54.4Low61.2Low58 Ų5894.4 Ų94.423%0.22746%0.462CS..Hα-helixtrans-59.2-45.6176.5176.3-99.3000111.9K345 Y352 A353 L359 S360K345-Y356 WeakPolarHBondContact CE-OH 3.46Å; K345-Y356 HydrophobicContact CG-CE1 4.1Å; K345-Y356 HydrophobicContact CG-CE2 4.22Å; K345-Y356 WeakPolarHBondContact CG-OH 3.39Å; Y352-Y356 PolarHBondContact O-N 3.11Å; A353-Y356 PolarHBondContact O-N 3.41Å; Y356-L359 PolarHBondContact O-N 3.32Å; Y356-S360 VanDerWaalsContact O-CB 3.24Å; Y356-S360 WeakPolarHBondContact O-CB 2.97Å; Y356-S360 PolarHBondContact O-N 3.4Å; Y356-S360 PolarHBondContact O-OG 2.94Å
357L58.5Low63.2Low95 Ų9590.3 Ų90.350%0.49743%0.431SS..Hα-helixtrans-68.9-36.5-179-155141.7000111.4A353 I355 S360 R361A353-L357 WeakPolarHBondContact O-CB 3.37Å; A353-L357 PolarHBondContact O-N 3.25Å; I355-L357 PolarHBondContact O-N 2.96Å; L357-S360 WeakPolarHBondContact CA-OG 3.39Å; L357-S360 PolarHBondContact O-OG 3.14Å; L357-R361 WeakPolarHBondContact O-CG 2.88Å; L357-R361 PolarHBondContact O-N 3.38Å
358M58.3Low65.3Low98 Ų9888.9 Ų88.948%0.48342%0.421SS..Hα-helixtrans-64.6-48.8171.2-86.6-172.1-85.500112.6H354 I355 S360 R361H354-M358 HydrophobicContact CB-CE 4.3Å; H354-M358 WeakPolarHBondContact O-CB 3.28Å; H354-M358 WeakPolarHBondContact O-CE 3.5Å; H354-M358 WeakPolarHBondContact O-CG 3.35Å; H354-M358 PolarHBondContact O-N 3.41Å; I355-M358 PolarHBondContact O-N 3.32Å; M358-S360 PolarHBondContact O-N 3.23Å; M358-R361 PolarHBondContact O-N 3.47Å
359L58.9Low67.7Low34 Ų3486.2 Ų86.218%0.17841%0.409CS..Hα-helixtrans-65.3-39.8179.2-69.2173.2000111.4V251 L341 I355 Y356 R361 Q362V251-L359 HydrophobicContact CG1-CD2 3.96Å; L341-L359 VanDerWaalsContact CD1-C 3.47Å; L341-L359 HydrophobicContact CD1-CB 3.74Å; L341-L359 HydrophobicContact CD2-CB 4.4Å; I355-L359 HydrophobicContact CG2-CD1 3.73Å; I355-L359 HydrophobicContact CG2-CG 4.2Å; I355-L359 WeakPolarHBondContact O-CB 3.42Å; I355-L359 VanDerWaalsContact O-CG 3.31Å; I355-L359 WeakPolarHBondContact O-CG 3.41Å; I355-L359 PolarHBondContact O-N 3.29Å; Y356-L359 PolarHBondContact O-N 3.32Å; L359-R361 PolarHBondContact O-N 3.02Å; L359-Q362 WeakPolarHBondContact O-CB 3.47Å; L359-Q362 PolarHBondContact O-N 2.9Å
360S56.3Low69.7Low53 Ų5380 Ų8037%0.37138%0.382SS..Hα-helixtrans-65.3-20.317971.60000114Y356 L357 M358 Q362Y356-S360 VanDerWaalsContact O-CB 3.24Å; Y356-S360 WeakPolarHBondContact O-CB 2.97Å; Y356-S360 PolarHBondContact O-N 3.4Å; Y356-S360 PolarHBondContact O-OG 2.94Å; L357-S360 WeakPolarHBondContact CA-OG 3.39Å; L357-S360 PolarHBondContact O-OG 3.14Å; M358-S360 PolarHBondContact O-N 3.23Å; S360-Q362 VanDerWaalsContact C-N 3.33Å
361R58.3Low71.6Confident202 Ų20270.7 Ų70.776%0.76235%0.346SS*.THydrogen-bonded Turntrans-81.8-12.2173.6-77.6-178.2174.8-172.1-0.5112.8L357 M358 L359 G363L357-R361 WeakPolarHBondContact O-CG 2.88Å; L357-R361 PolarHBondContact O-N 3.38Å; M358-R361 PolarHBondContact O-N 3.47Å; L359-R361 PolarHBondContact O-N 3.02Å; R361-G363 VanDerWaalsContact C-N 3.34Å; R361-G363 PolarHBondContact O-N 3.48Å
362Q65.4Low73.2Confident58 Ų5866.5 Ų66.527%0.27132%0.321SS..  trans-78.489174.3-63.3-137.7-25.900109.3V251 A339 L359 S360V251-Q362 HydrophobicContact CG1-CB 4.3Å; A339-Q362 VanDerWaalsContact CB-O 3.27Å; A339-Q362 WeakPolarHBondContact CB-O 3.26Å; A339-Q362 PolarHBondContact N-O 3.04Å; L359-Q362 WeakPolarHBondContact O-CB 3.47Å; L359-Q362 PolarHBondContact O-N 2.9Å; S360-Q362 VanDerWaalsContact C-N 3.33Å
363G74.5Confident74.6Confident36 Ų3669.9 Ų69.937%0.37133%0.333SS..EExtended strand (participates in β ladder)trans-82159.6158.400000110.6T337 R361T337-G363 CarbonylContact O-C 3.59Å; T337-G363 WeakPolarHBondContact O-CA 3.25Å; R361-G363 VanDerWaalsContact C-N 3.34Å; R361-G363 PolarHBondContact O-N 3.48Å
364F84.4Confident76Confident13 Ų1371.9 Ų71.96%0.05734%0.336CS..EExtended strand (participates in β ladder)trans-89.5123.4166.7-62.8-55.7000109N99 P179 F180 E247 F250 V251 A336 T337 A339N99-F364 HydrophobicContact CB-CD2 3.94Å; N99-F364 HydrophobicContact CB-CE2 4.16Å; P179-F364 HydrophobicContact CB-CD1 3.93Å; P179-F364 HydrophobicContact CB-CE1 4.42Å; P179-F364 HydrophobicContact CG-CB 3.93Å; P179-F364 HydrophobicContact CG-CD1 3.74Å; P179-F364 HydrophobicContact CG-CG 4.1Å; F180-F364 HydrophobicContact CE1-CE1 4.33Å; F180-F364 HydrophobicContact CE1-CE2 4.3Å; F180-F364 AromaticContact CE1-CZ 3.88Å; F180-F364 HydrophobicContact CE1-CZ 3.88Å; F180-F364 HydrophobicContact CZ-CE2 4.01Å; F180-F364 HydrophobicContact CZ-CZ 4.01Å; E247-F364 HydrophobicContact CG-CE2 4.23Å; E247-F364 HydrophobicContact CG-CZ 4.38Å; E247-F364 WeakPolarHBondContact OE1-CE2 3.28Å; F250-F364 AromaticContact CD1-CE1 3.96Å; F250-F364 HydrophobicContact CD1-CE1 3.96Å; F250-F364 HydrophobicContact CD1-CZ 4.09Å; F250-F364 AromaticContact CE1-CE1 3.72Å; F250-F364 HydrophobicContact CE1-CE1 3.72Å; F250-F364 HydrophobicContact CE1-CZ 4.27Å; V251-F364 HydrophobicContact CG2-CE1 4.23Å; V251-F364 HydrophobicContact CG2-CZ 3.71Å; A336-F364 CarbonylContact C-O 3Å; A336-F364 VanDerWaalsContact CA-O 3.29Å; A336-F364 WeakPolarHBondContact CA-O 3.46Å; T337-F364 PolarHBondContact N-O 2.77Å; T337-F364 PolarHBondContact O-N 2.74Å; A339-F364 HydrophobicContact CB-CE2 4.14Å; A339-F364 HydrophobicContact CB-CZ 4.42Å
365E88.1Confident77.1Confident126 Ų12665.9 Ų65.959%0.58931%0.31SS*.EExtended strand (participates in β ladder)trans-94.7135.9167.6-67.2-172.3178.100110I335 A336I335-E365 WeakPolarHBondContact O-CA 3.45Å; A336-E365 HydrophobicContact CB-CG 4.31Å
366M91.7Very high78Confident7 Ų771.5 Ų71.53%0.03434%0.335CS..EExtended strand (participates in β ladder)trans-155.4160.1178.957.9-176.7142.300110.7D177 H178 R334 I335 T337D177-M366 WeakPolarHBondContact OD2-CA 3.32Å; H178-M366 PolarHBondContact CD2-SD 3.33Å; R334-M366 CarbonylContact C-O 3.56Å; R334-M366 VanDerWaalsContact CA-O 3.28Å; R334-M366 WeakPolarHBondContact CA-O 3.46Å; I335-M366 HydrophobicContact CD1-CE 4.12Å; I335-M366 HydrophobicContact CD1-CG 4.1Å; I335-M366 HydrophobicContact CD1-SD 4.4Å; I335-M366 HydrophobicContact CG1-CG 3.75Å; I335-M366 PolarHBondContact N-O 3.3Å; I335-M366 PolarHBondContact O-N 3.43Å; I335-M366 VanDerWaalsContact O-N 3.08Å; T337-M366 HydrophobicContact CG2-CE 3.69Å; T337-M366 VanDerWaalsContact OG1-CE 3.3Å; T337-M366 WeakPolarHBondContact OG1-CE 3.41Å
367E92.6Very high79.3Confident26 Ų2672.2 Ų72.212%0.12135%0.348CS..EExtended strand (participates in β ladder)trans-73123.9175.4-77.4178.417600111.1H175 D177 Q326 R334 F369H175-E367 PolarHBondContact CE1-O 3.4Å; H175-E367 PolarHBondContact NE2-O 2.95Å; H175-E367 VanDerWaalsContact NE2-O 3.11Å; D177-E367 WeakPolarHBondContact OD1-CB 3.48Å; D177-E367 PolarHBondContact OD1-N 3.05Å; D177-E367 WeakPolarHBondContact OD2-CG 3.43Å; D177-E367 PolarHBondContact OD2-N 2.84Å; Q326-E367 PolarHBondContact NE2-O 3.12Å; Q326-E367 VanDerWaalsContact NE2-O 3.09Å; R334-E367 HydrophobicContact CG-CG 4.48Å; E367-F369 VanDerWaalsContact C-N 3.28Å; E367-F369 PolarHBondContact O-N 3.43Å
368R92.9Very high80.8Confident139 Ų13968.5 Ų68.553%0.52533%0.328SS..SBendtrans-65.2-36.8175.7-176.2173.9178.4163.11112.1T333 I335T333-R368 HydrophobicContact CG2-CB 4.34Å; T333-R368 WeakPolarHBondContact O-CB 3.4Å; T333-R368 PolarHBondContact O-N 3.48Å; I335-R368 HydrophobicContact CG1-CB 4.33Å; I335-R368 HydrophobicContact CG2-CB 3.91Å; I335-R368 HydrophobicContact CG2-CG 4.21Å
369F94.4Very high82.3Confident30 Ų3065.9 Ų65.913%0.13231%0.314CS..SBendtrans-118.8141.2-171.8-61.9-66.8000111.2P327 T333 E367 P393P327-F369 HydrophobicContact CB-CD1 3.88Å; P327-F369 HydrophobicContact CB-CE1 4.13Å; P327-F369 CarbonylContact O-C 3.46Å; P327-F369 WeakPolarHBondContact O-CA 3.28Å; T333-F369 HydrophobicContact CG2-CD2 4.35Å; T333-F369 HydrophobicContact CG2-CE2 4.21Å; E367-F369 VanDerWaalsContact C-N 3.28Å; E367-F369 PolarHBondContact O-N 3.43Å; F369-P393 HydrophobicContact CE1-CB 4.22Å
370L93.5Very high84Confident2 Ų264.8 Ų64.81%0.0131%0.308CS..BIsolated β-bridgetrans-68.5139.4168.5-17279000109.9Q326 P327 I328 P372 Y378 F380 F382 Y397Q326-L370 HydrophobicContact CB-CB 4.26Å; Q326-L370 HydrophobicContact CG-CB 4.18Å; P327-L370 PolarHBondContact O-N 3.09Å; I328-L370 HydrophobicContact CG1-CB 4.15Å; I328-L370 HydrophobicContact CG1-CD2 4.22Å; L370-P372 WeakPolarHBondContact O-CD 3.31Å; L370-Y378 HydrophobicContact CD1-CD1 4.45Å; L370-Y378 HydrophobicContact CD1-CD2 4.1Å; L370-Y378 HydrophobicContact CD1-CE1 3.93Å; L370-Y378 HydrophobicContact CD1-CE2 3.52Å; L370-Y378 VanDerWaalsContact CD1-CZ 3.43Å; L370-Y378 HydrophobicContact CG-CE2 3.99Å; L370-F380 HydrophobicContact CD1-CZ 4.17Å; L370-F380 HydrophobicContact CD2-CE2 3.82Å; L370-F380 HydrophobicContact CD2-CZ 3.73Å; L370-F382 HydrophobicContact CD2-CZ 4.44Å; L370-Y397 HydrophobicContact CD2-CE2 4.46Å; L370-Y397 VanDerWaalsContact CD2-OH 3.26Å; L370-Y397 WeakPolarHBondContact CD2-OH 3.08Å
371C92Very high85.8Confident4 Ų463.9 Ų63.93%0.02730%0.299CS..  trans-101.3107.2176.5-79.60000112.2C331 R373 L374C331-C371 WeakPolarHBondContact CA-SG 3.39Å; C331-C371 HydrophobicContact CB-CB 4.37Å; C331-C371 WeakPolarHBondContact CB-SG 3.36Å; C331-C371 WeakPolarHBondContact SG-CA 3.48Å; C331-C371 WeakPolarHBondContact SG-CB 3.05Å; C331-C371 CovalentContact SG-SG 2.04Å; C331-C371 PolarHBondContact SG-SG 3.21Å; C371-R373 PolarHBondContact O-N 2.91Å; C371-L374 HydrophobicContact CB-CB 4.28Å; C371-L374 HydrophobicContact CB-CD1 4.01Å; C371-L374 HydrophobicContact CB-CG 4.09Å; C371-L374 PolarHBondContact O-N 3.16Å
372P89.7Confident87.6Confident12 Ų1255 Ų558%0.07827%0.266CS..THydrogen-bonded Turntrans-64.3-5.6179.9-21.734.2000115I328 L370 V375 F382 E390I328-P372 HydrophobicContact CD1-CG 4.11Å; I328-P372 HydrophobicContact CG1-CG 4.25Å; I328-P372 HydrophobicContact CG2-CG 3.64Å; L370-P372 WeakPolarHBondContact O-CD 3.31Å; P372-V375 WeakPolarHBondContact O-CG2 3.29Å; P372-F382 HydrophobicContact CB-CE2 3.92Å; P372-F382 HydrophobicContact CB-CZ 4.48Å; P372-E390 HydrophobicContact CG-CG 4.28Å
373R87Confident88.9Confident195 Ų19557.4 Ų57.474%0.73628%0.277SS*.THydrogen-bonded Turntrans-91.6-20175.2-57-179.5-152.7-167.64113.3C371 V375 E390C371-R373 PolarHBondContact O-N 2.91Å; R373-V375 VanDerWaalsContact C-N 3.26Å; R373-V375 PolarHBondContact O-N 2.89Å; R373-E390 IonicContact CZ-OE1 2.83Å; R373-E390 IonicContact CZ-OE2 2.84Å; R373-E390 IonicContact NE-OE1 3.97Å; R373-E390 PolarHBondContact NE-OE1 3.44Å; R373-E390 IonicContact NE-OE2 3.97Å; R373-E390 IonicContact NH2-OE1 2.64Å; R373-E390 IonicContact NH2-OE2 2.66Å; R373-E390 PolarHBondContact NH2-OE2 3.37Å
374L85.9Confident89.7Confident93 Ų9358.1 Ų58.149%0.48728%0.276SS..  trans-95.632.6-178-63.1179.3000112C371 E376 S377C371-L374 HydrophobicContact CB-CB 4.28Å; C371-L374 HydrophobicContact CB-CD1 4.01Å; C371-L374 HydrophobicContact CB-CG 4.09Å; C371-L374 PolarHBondContact O-N 3.16Å; L374-E376 PolarHBondContact O-N 3.04Å; L374-S377 PolarHBondContact O-N 3.32Å; L374-S377 VanDerWaalsContact O-N 3.12Å; L374-S377 PolarHBondContact O-OG 2.78Å
375V81.1Confident90.1Very high29 Ų2960.4 Ų60.418%0.17629%0.291CS..G310 helixtrans-61.1-31.7-169.5-170.60000112.9P372 R373 S377 Y378 F380 D381 F382 K402P372-V375 WeakPolarHBondContact O-CG2 3.29Å; R373-V375 VanDerWaalsContact C-N 3.26Å; R373-V375 PolarHBondContact O-N 2.89Å; V375-S377 PolarHBondContact O-N 3.23Å; V375-S377 VanDerWaalsContact O-N 3.11Å; V375-Y378 PolarHBondContact O-N 2.81Å; V375-F380 WeakPolarHBondContact CG1-O 3.03Å; V375-D381 HydrophobicContact CG1-CB 3.13Å; V375-F382 HydrophobicContact CG2-CD2 4.29Å; V375-F382 HydrophobicContact CG2-CE2 4.41Å; V375-K402 PolarHBondContact O-NZ 3.34Å
376E80.7Confident90.3Very high191 Ų19165.1 Ų65.189%0.89330%0.303SS*.G310 helixtrans-55.1-30.4178.7-66.6-179.917900112.6L374 Y378L374-E376 PolarHBondContact O-N 3.04Å; E376-Y378 VanDerWaalsContact C-N 3.3Å; E376-Y378 PolarHBondContact O-N 3.08Å
377S81.1Confident90.1Very high74 Ų7467.3 Ų67.352%0.51732%0.323SS..G310 helixtrans-80.2-6-179.969.50000115L374 V375L374-S377 PolarHBondContact O-N 3.32Å; L374-S377 VanDerWaalsContact O-N 3.12Å; L374-S377 PolarHBondContact O-OG 2.78Å; V375-S377 PolarHBondContact O-N 3.23Å; V375-S377 VanDerWaalsContact O-N 3.11Å
378Y89.2Confident90Very high17 Ų1767.3 Ų67.37%0.06733%0.325CS..SBendtrans-108157.7-175.4-50.2-37.5000112.2L370 V375 E376 F380 K402L370-Y378 HydrophobicContact CD1-CD1 4.45Å; L370-Y378 HydrophobicContact CD1-CD2 4.1Å; L370-Y378 HydrophobicContact CD1-CE1 3.93Å; L370-Y378 HydrophobicContact CD1-CE2 3.52Å; L370-Y378 VanDerWaalsContact CD1-CZ 3.43Å; L370-Y378 HydrophobicContact CG-CE2 3.99Å; V375-Y378 PolarHBondContact O-N 2.81Å; E376-Y378 VanDerWaalsContact C-N 3.3Å; E376-Y378 PolarHBondContact O-N 3.08Å; Y378-F380 HydrophobicContact CD2-CE2 4.35Å; Y378-F380 HydrophobicContact CD2-CZ 4.28Å; Y378-F380 HydrophobicContact CG-CE1 4.5Å; Y378-F380 HydrophobicContact CG-CZ 4.32Å; Y378-F380 PolarHBondContact O-N 2.02Å; Y378-K402 WeakPolarHBondContact O-CD 3.48Å; Y378-K402 WeakPolarHBondContact O-CE 3.35Å; Y378-K402 PolarHBondContact O-NZ 3.03Å
379E90.6Very high89.7Confident42 Ų4263.7 Ų63.720%0.19632%0.321CS..SBendtrans-79.5-0.3175.9-57.1-59.8163.900113.3T167 K168 S187 K402T167-E379 HydrophobicContact CG2-CG 4.2Å; K168-E379 IonicContact NZ-OE1 3.56Å; K168-E379 IonicContact NZ-OE2 2.65Å; K168-E379 PolarHBondContact NZ-OE2 3.14Å; S187-E379 VanDerWaalsContact CB-CD 3.46Å; S187-E379 WeakPolarHBondContact CB-OE1 3.43Å; S187-E379 PolarHBondContact OG-OE1 3.24Å; S187-E379 PolarHBondContact OG-OE2 2.9Å; E379-K402 PolarHBondContact O-N 2.82Å
380F94.9Very high89.4Confident12 Ų1264.1 Ų64.15%0.05332%0.323CS..EExtended strand (participates in β ladder)trans-136.6164.1-18062.4-94.3000109.4L170 T173 L370 V375 Y378 F382 I399 C400 K402L170-F380 HydrophobicContact CD1-CB 4.22Å; L170-F380 HydrophobicContact CD2-CB 3.85Å; L170-F380 HydrophobicContact CD2-CD1 4.45Å; T173-F380 HydrophobicContact CG2-CD1 4.09Å; T173-F380 HydrophobicContact CG2-CE1 4.17Å; L370-F380 HydrophobicContact CD1-CZ 4.17Å; L370-F380 HydrophobicContact CD2-CE2 3.82Å; L370-F380 HydrophobicContact CD2-CZ 3.73Å; V375-F380 WeakPolarHBondContact CG1-O 3.03Å; Y378-F380 HydrophobicContact CD2-CE2 4.35Å; Y378-F380 HydrophobicContact CD2-CZ 4.28Å; Y378-F380 HydrophobicContact CG-CE1 4.5Å; Y378-F380 HydrophobicContact CG-CZ 4.32Å; Y378-F380 PolarHBondContact O-N 2.02Å; F380-F382 HydrophobicContact CE2-CZ 4.48Å; F380-I399 HydrophobicContact CB-CB 4.25Å; F380-I399 HydrophobicContact CB-CD1 4.16Å; F380-I399 HydrophobicContact CD1-CD1 4.07Å; F380-I399 HydrophobicContact CD2-CB 3.71Å; F380-I399 HydrophobicContact CD2-CD1 4.09Å; F380-I399 HydrophobicContact CD2-CG1 4.5Å; F380-I399 HydrophobicContact CD2-CG2 3.55Å; F380-I399 HydrophobicContact CE1-CD1 4.49Å; F380-I399 HydrophobicContact CE2-CB 4.34Å; F380-I399 HydrophobicContact CE2-CG2 3.68Å; F380-I399 HydrophobicContact CG-CB 4.14Å; F380-I399 HydrophobicContact CG-CD1 3.85Å; F380-I399 HydrophobicContact CG-CG2 4.36Å; F380-C400 CarbonylContact C-O 3.41Å; F380-C400 WeakPolarHBondContact CA-O 3.46Å; F380-C400 WeakPolarHBondContact CB-O 3.46Å; F380-K402 WeakPolarHBondContact O-CE 3.31Å
381D94.6Very high89Confident33 Ų3372.2 Ų72.218%0.17636%0.361CS..EExtended strand (participates in β ladder)trans-141.9-162.6171.162.832.7000110.5V375 H383 C400V375-D381 HydrophobicContact CG1-CB 3.13Å; D381-H383 IonicContact OD1-CE1 3Å; D381-H383 IonicContact OD1-CG 3.92Å; D381-H383 PolarHBondContact OD1-N 2.9Å; D381-H383 IonicContact OD1-ND1 3.15Å; D381-H383 PolarHBondContact OD1-ND1 3.28Å; D381-H383 IonicContact OD2-ND1 2.96Å; D381-H383 PolarHBondContact OD2-ND1 3.28Å; D381-C400 PolarHBondContact N-O 3.07Å; D381-C400 PolarHBondContact O-N 3.41Å
382F94.6Very high88.7Confident16 Ų1679.7 Ų79.77%0.0739%0.393CS..SBendtrans-118.125.5178.3-57.1-80.8000111.6I328 L370 P372 V375 F380 C384 T385 A387 P388 Y397 T398 I399I328-F382 HydrophobicContact CD1-CE1 4.32Å; I328-F382 HydrophobicContact CD1-CZ 4.01Å; L370-F382 HydrophobicContact CD2-CZ 4.44Å; P372-F382 HydrophobicContact CB-CE2 3.92Å; P372-F382 HydrophobicContact CB-CZ 4.48Å; V375-F382 HydrophobicContact CG2-CD2 4.29Å; V375-F382 HydrophobicContact CG2-CE2 4.41Å; F380-F382 HydrophobicContact CE2-CZ 4.48Å; F382-C384 PolarHBondContact O-N 3.05Å; F382-T385 HydrophobicContact CB-CG2 4.12Å; F382-T385 HydrophobicContact CD1-CG2 4.09Å; F382-T385 CarbonylContact O-C 3.56Å; F382-T385 PolarHBondContact O-N 3.25Å; F382-T385 VanDerWaalsContact O-N 3.09Å; F382-A387 HydrophobicContact CB-CB 4.33Å; F382-A387 HydrophobicContact CD2-CB 4.34Å; F382-A387 HydrophobicContact CG-CB 4.35Å; F382-P388 HydrophobicContact CD1-CG 4.43Å; F382-P388 VanDerWaalsContact CE1-CD 3.5Å; F382-P388 HydrophobicContact CE1-CG 4.03Å; F382-Y397 AromaticContact CE1-CD2 3.9Å; F382-Y397 HydrophobicContact CE1-CD2 3.9Å; F382-Y397 AromaticContact CE1-CE2 3.99Å; F382-Y397 HydrophobicContact CE1-CE2 3.99Å; F382-Y397 HydrophobicContact CZ-CE2 4.22Å; F382-T398 WeakPolarHBondContact CD1-O 3.3Å; F382-I399 HydrophobicContact CD1-CG2 4.44Å; F382-I399 HydrophobicContact CE1-CG2 3.82Å; F382-I399 HydrophobicContact CZ-CG2 4.34Å
383H93.5Very high88.6Confident108 Ų10883.7 Ų83.750%0.542%0.419SS..THydrogen-bonded Turntrans-62.6-29.5-173.972-97.4000113.7E317 D381 C400 G401E317-H383 PolarHBondContact O-NE2 3.29Å; D381-H383 IonicContact OD1-CE1 3Å; D381-H383 IonicContact OD1-CG 3.92Å; D381-H383 PolarHBondContact OD1-N 2.9Å; D381-H383 IonicContact OD1-ND1 3.15Å; D381-H383 PolarHBondContact OD1-ND1 3.28Å; D381-H383 IonicContact OD2-ND1 2.96Å; D381-H383 PolarHBondContact OD2-ND1 3.28Å; H383-C400 WeakPolarHBondContact CE1-CB 3.32Å; H383-G401 PolarHBondContact CE1-O 2.81Å
384C91.8Very high88.9Confident52 Ų5277.1 Ų77.135%0.35140%0.398SS..THydrogen-bonded Turntrans-83.9-5.1178.6730000113.9I320 F382 C400I320-C384 HydrophobicContact CD1-CB 4.32Å; I320-C384 HydrophobicContact CG1-CB 4.44Å; F382-C384 PolarHBondContact O-N 3.05Å; C384-C400 VanDerWaalsContact CA-SG 3.51Å; C384-C400 HydrophobicContact CB-CB 3.86Å; C384-C400 WeakPolarHBondContact CB-SG 3.44Å; C384-C400 PolarHBondContact N-SG 3.31Å; C384-C400 WeakPolarHBondContact SG-CB 3.4Å; C384-C400 CovalentContact SG-SG 2.02Å; C384-C400 PolarHBondContact SG-SG 3.09Å
385T93.2Very high89.2Confident61 Ų6178 Ų7837%0.37440%0.4SS..SBendtrans-146178.8-176.8-170.70000111.5F382 T398F382-T385 HydrophobicContact CB-CG2 4.12Å; F382-T385 HydrophobicContact CD1-CG2 4.09Å; F382-T385 CarbonylContact O-C 3.56Å; F382-T385 PolarHBondContact O-N 3.25Å; F382-T385 VanDerWaalsContact O-N 3.09Å; T385-T398 HydrophobicContact CG2-CG2 4.42Å
386R90.7Very high89.9Confident224 Ų22481.4 Ų81.485%0.84541%0.409SS*.PPolyproline II helixtrans-84.3130.6169.8-168.1175.8-177.9170.61.8109P388R386-P388 WeakPolarHBondContact O-CD 3.11Å
387A88.5Confident90.6Very high54 Ų5473 Ų7345%0.44637%0.369SS..PPolyproline II helixtrans-51.6125.617300000110.6F382F382-A387 HydrophobicContact CB-CB 4.33Å; F382-A387 HydrophobicContact CD2-CB 4.34Å; F382-A387 HydrophobicContact CG-CB 4.35Å
388P89.2Confident91.3Very high25 Ų2571.2 Ų71.216%0.16236%0.355CS..PPolyproline II helixtrans-61.8150.8-179.2-24.634.7000112.5I328 F382 R386 I394 Y397I328-P388 HydrophobicContact CD1-CB 3.79Å; I328-P388 HydrophobicContact CD1-CG 3.63Å; F382-P388 HydrophobicContact CD1-CG 4.43Å; F382-P388 VanDerWaalsContact CE1-CD 3.5Å; F382-P388 HydrophobicContact CE1-CG 4.03Å; R386-P388 WeakPolarHBondContact O-CD 3.11Å; P388-I394 HydrophobicContact CB-CD1 4.32Å; P388-Y397 HydrophobicContact CG-CD2 4.43Å; P388-Y397 HydrophobicContact CG-CG 4.39Å
389S88.1Confident91.6Very high63 Ų6370.4 Ų70.444%0.44135%0.352SS..PPolyproline II helixtrans-74.2136.4177.1-177.30000111.8H391S389-H391 PolarHBondContact O-N 3.33Å; S389-H391 PolarHBondContact OG-CD2 2.94Å; S389-H391 PolarHBondContact OG-N 3.36Å
390E86.8Confident91.8Very high39 Ų3968.4 Ų68.418%0.18234%0.343CS..THydrogen-bonded Turntrans-74.7-7.4177.6-65.6167.3-166.100113.8G329 P372 R373G329-E390 CarbonylContact C-O 3.46Å; P372-E390 HydrophobicContact CG-CG 4.28Å; R373-E390 IonicContact CZ-OE1 2.83Å; R373-E390 IonicContact CZ-OE2 2.84Å; R373-E390 IonicContact NE-OE1 3.97Å; R373-E390 PolarHBondContact NE-OE1 3.44Å; R373-E390 IonicContact NE-OE2 3.97Å; R373-E390 IonicContact NH2-OE1 2.64Å; R373-E390 IonicContact NH2-OE2 2.66Å; R373-E390 PolarHBondContact NH2-OE2 3.37Å
391H85.6Confident91.9Very high173 Ų17367.9 Ų67.980%0.80134%0.341SS*.THydrogen-bonded Turntrans-73.9-27.6-171.3-67.2-51000114.6S389S389-H391 PolarHBondContact O-N 3.33Å; S389-H391 PolarHBondContact OG-CD2 2.94Å; S389-H391 PolarHBondContact OG-N 3.36Å
392K85Confident91.9Very high160 Ų16068.7 Ų68.770%0.69634%0.343SS*.SBendtrans-124.6140.1178.2-70.5-175.9179.3-179.90109.2I394K392-I394 PolarHBondContact O-N 3Å
393P88.6Confident91.8Very high97 Ų9770.5 Ų70.563%0.6336%0.361SS*.  trans-62.8122.1174.126-32000109.5I328 F369I328-P393 VanDerWaalsContact O-CA 3.25Å; I328-P393 WeakPolarHBondContact O-CA 3.24Å; F369-P393 HydrophobicContact CE1-CB 4.22Å
394I93.7Very high91.5Very high57 Ų5766.9 Ų66.929%0.29234%0.343SS..EExtended strand (participates in β ladder)trans-125123.4177.7-60.4165.1000107.9P327 I328 P388 K392 W396 Y397P327-I394 CarbonylContact C-O 3.55Å; P327-I394 WeakPolarHBondContact CA-O 3.2Å; I328-I394 PolarHBondContact N-O 3.32Å; I328-I394 PolarHBondContact O-N 2.97Å; P388-I394 HydrophobicContact CB-CD1 4.32Å; K392-I394 PolarHBondContact O-N 3Å; I394-W396 VanDerWaalsContact CG2-O 3.23Å; I394-W396 WeakPolarHBondContact CG2-O 3.39Å; I394-Y397 HydrophobicContact CG2-CD1 4.22Å
395E92.8Very high91.3Very high112 Ų11273.1 Ų73.152%0.52337%0.367SS..EExtended strand (participates in β ladder)trans-102.2-23.4178.2-48.4-169.214600112.3L324 H325 P327L324-E395 WeakPolarHBondContact CA-O 3.17Å; L324-E395 HydrophobicContact CD1-CB 3.59Å; H325-E395 PolarHBondContact N-O 2.93Å; P327-E395 HydrophobicContact CB-CG 4.05Å; P327-E395 HydrophobicContact CG-CB 4.49Å; P327-E395 HydrophobicContact CG-CG 3.9Å
396W94.3Very high91.1Very high100 Ų10076.5 Ų76.538%0.37938%0.377SS..EExtended strand (participates in β ladder)trans-109.8110.9-179.5-167.1-74.2000110.6Q107 R115 G323 L324 I394Q107-W396 HydrophobicContact CG-CH2 3.94Å; Q107-W396 HydrophobicContact CG-CZ2 4.49Å; R115-W396 HydrophobicContact CB-CZ3 4.37Å; G323-W396 WeakPolarHBondContact O-CA 3.09Å; L324-W396 HydrophobicContact CB-CE3 4.32Å; I394-W396 VanDerWaalsContact CG2-O 3.23Å; I394-W396 WeakPolarHBondContact CG2-O 3.39Å
397Y95.5Very high91.2Very high14 Ų1469 Ų696%0.05535%0.351CS..EExtended strand (participates in β ladder)trans-154.8173.6-179.157.4-89.3000111.1G323 H325 Q326 I328 L370 F382 P388 I394 I399G323-Y397 PolarHBondContact N-O 3.21Å; G323-Y397 VanDerWaalsContact N-O 3.16Å; G323-Y397 PolarHBondContact O-N 2.82Å; G323-Y397 VanDerWaalsContact O-N 3.12Å; H325-Y397 HydrophobicContact CB-CE1 3.75Å; H325-Y397 HydrophobicContact CB-CE2 4.01Å; H325-Y397 VanDerWaalsContact CB-CZ 3.41Å; H325-Y397 VanDerWaalsContact CB-OH 3.25Å; H325-Y397 WeakPolarHBondContact CB-OH 3.31Å; H325-Y397 PolarHBondContact CD2-O 2.63Å; Q326-Y397 VanDerWaalsContact O-CE1 3.31Å; Q326-Y397 WeakPolarHBondContact O-CE1 3.29Å; Q326-Y397 PolarHBondContact O-OH 2.86Å; I328-Y397 HydrophobicContact CD1-CD1 3.9Å; I328-Y397 HydrophobicContact CD1-CD2 3.83Å; I328-Y397 HydrophobicContact CD1-CE1 3.71Å; I328-Y397 HydrophobicContact CD1-CE2 3.63Å; I328-Y397 HydrophobicContact CD1-CG 3.96Å; I328-Y397 HydrophobicContact CG1-CD1 4.34Å; I328-Y397 HydrophobicContact CG1-CE1 3.78Å; I328-Y397 HydrophobicContact CG1-CE2 4.33Å; L370-Y397 HydrophobicContact CD2-CE2 4.46Å; L370-Y397 VanDerWaalsContact CD2-OH 3.26Å; L370-Y397 WeakPolarHBondContact CD2-OH 3.08Å; F382-Y397 AromaticContact CE1-CD2 3.9Å; F382-Y397 HydrophobicContact CE1-CD2 3.9Å; F382-Y397 AromaticContact CE1-CE2 3.99Å; F382-Y397 HydrophobicContact CE1-CE2 3.99Å; F382-Y397 HydrophobicContact CZ-CE2 4.22Å; P388-Y397 HydrophobicContact CG-CD2 4.43Å; P388-Y397 HydrophobicContact CG-CG 4.39Å; I394-Y397 HydrophobicContact CG2-CD1 4.22Å; Y397-I399 HydrophobicContact CD2-CG2 3.71Å; Y397-I399 HydrophobicContact CE2-CG2 3.39Å
398T95.6Very high91.4Very high36 Ų3670 Ų7022%0.22136%0.36CS..EExtended strand (participates in β ladder)trans-101.8136.1-179.7-56.20000110.3I320 S321 T322 F382 T385I320-T398 HydrophobicContact CG2-CG2 3.37Å; S321-T398 WeakPolarHBondContact O-CA 3.28Å; T322-T398 WeakPolarHBondContact OG1-CG2 3.47Å; T322-T398 PolarHBondContact OG1-OG1 3.42Å; F382-T398 WeakPolarHBondContact CD1-O 3.3Å; T385-T398 HydrophobicContact CG2-CG2 4.42Å
399I96.2Very high91.6Very high0 Ų072.4 Ų72.40%037%0.369CS..EExtended strand (participates in β ladder)trans-128158172.458.1170.9000110.2L170 T173 S321 F380 F382 Y397L170-I399 HydrophobicContact CD1-CD1 4.03Å; L170-I399 HydrophobicContact CD1-CG1 4.05Å; L170-I399 HydrophobicContact CD2-CD1 4.32Å; T173-I399 HydrophobicContact CG2-CD1 3.54Å; S321-I399 PolarHBondContact N-O 2.04Å; S321-I399 WeakPolarHBondContact O-CG1 2.9Å; S321-I399 PolarHBondContact O-N 3.08Å; F380-I399 HydrophobicContact CB-CB 4.25Å; F380-I399 HydrophobicContact CB-CD1 4.16Å; F380-I399 HydrophobicContact CD1-CD1 4.07Å; F380-I399 HydrophobicContact CD2-CB 3.71Å; F380-I399 HydrophobicContact CD2-CD1 4.09Å; F380-I399 HydrophobicContact CD2-CG1 4.5Å; F380-I399 HydrophobicContact CD2-CG2 3.55Å; F380-I399 HydrophobicContact CE1-CD1 4.49Å; F380-I399 HydrophobicContact CE2-CB 4.34Å; F380-I399 HydrophobicContact CE2-CG2 3.68Å; F380-I399 HydrophobicContact CG-CB 4.14Å; F380-I399 HydrophobicContact CG-CD1 3.85Å; F380-I399 HydrophobicContact CG-CG2 4.36Å; F382-I399 HydrophobicContact CD1-CG2 4.44Å; F382-I399 HydrophobicContact CE1-CG2 3.82Å; F382-I399 HydrophobicContact CZ-CG2 4.34Å; Y397-I399 HydrophobicContact CD2-CG2 3.71Å; Y397-I399 HydrophobicContact CE2-CG2 3.39Å
400C95.6Very high91.7Very high1 Ų169.8 Ų69.81%0.00735%0.35CS..EExtended strand (participates in β ladder)trans-123.7137.5-174.9-32.70000108.8F380 D381 H383 C384F380-C400 CarbonylContact C-O 3.41Å; F380-C400 WeakPolarHBondContact CA-O 3.46Å; F380-C400 WeakPolarHBondContact CB-O 3.46Å; D381-C400 PolarHBondContact N-O 3.07Å; D381-C400 PolarHBondContact O-N 3.41Å; H383-C400 WeakPolarHBondContact CE1-CB 3.32Å; C384-C400 VanDerWaalsContact CA-SG 3.51Å; C384-C400 HydrophobicContact CB-CB 3.86Å; C384-C400 WeakPolarHBondContact CB-SG 3.44Å; C384-C400 PolarHBondContact N-SG 3.31Å; C384-C400 WeakPolarHBondContact SG-CB 3.4Å; C384-C400 CovalentContact SG-SG 2.02Å; C384-C400 PolarHBondContact SG-SG 3.09Å
401G95.3Very high92.1Very high0 Ų069.8 Ų69.80%035%0.351CS..EExtended strand (participates in β ladder)trans-69.4156.3179.700000112P316 E317 I319 H383P316-G401 CarbonylContact O-C 3.49Å; P316-G401 VanDerWaalsContact O-CA 3.22Å; P316-G401 WeakPolarHBondContact O-CA 2.97Å; E317-G401 WeakPolarHBondContact CA-O 3.37Å; I319-G401 PolarHBondContact O-N 2.94Å; H383-G401 PolarHBondContact CE1-O 2.81Å
402K94.7Very high92.5Very high51 Ų5166.1 Ų66.122%0.22234%0.337CS..PPolyproline II helixtrans-101.6142.1172.1-72.7-175.9-179.1172.70111.3P316 V375 Y378 E379 F380P316-K402 WeakPolarHBondContact CB-O 3.15Å; V375-K402 PolarHBondContact O-NZ 3.34Å; Y378-K402 WeakPolarHBondContact O-CD 3.48Å; Y378-K402 WeakPolarHBondContact O-CE 3.35Å; Y378-K402 PolarHBondContact O-NZ 3.03Å; E379-K402 PolarHBondContact O-N 2.82Å; F380-K402 WeakPolarHBondContact O-CE 3.31Å
403A93.2Very high92.8Very high54 Ų5459.9 Ų59.945%0.44631%0.312SS..PPolyproline II helixtrans-53.4149.7177.500000112.8E317 E405E317-A403 HydrophobicContact CB-CB 4.4Å; E317-A403 VanDerWaalsContact OE2-CA 3.3Å; E317-A403 WeakPolarHBondContact OE2-CA 3.4Å; E317-A403 WeakPolarHBondContact OE2-CB 3.12Å; A403-E405 PolarHBondContact O-N 2.62Å
404F88.4Confident93.1Very high31 Ų3155.3 Ų55.314%0.13628%0.282CS..PPolyproline II helixtrans-65.4123.3174.3-67.1-64.8000110.8K168 P316 K406 H407 L410K168-F404 HydrophobicContact CB-CE1 3.74Å; K168-F404 HydrophobicContact CB-CZ 4.47Å; K168-F404 HydrophobicContact CD-CD1 4.43Å; K168-F404 HydrophobicContact CD-CE1 4.38Å; K168-F404 HydrophobicContact CG-CD1 4.44Å; K168-F404 HydrophobicContact CG-CE1 3.95Å; P316-F404 VanDerWaalsContact CD-CD2 3.43Å; P316-F404 HydrophobicContact CG-CD1 3.96Å; P316-F404 HydrophobicContact CG-CD2 3.54Å; P316-F404 HydrophobicContact CG-CE1 3.68Å; P316-F404 HydrophobicContact CG-CE2 3.26Å; P316-F404 HydrophobicContact CG-CG 3.89Å; P316-F404 HydrophobicContact CG-CZ 3.32Å; F404-K406 VanDerWaalsContact C-N 3.34Å; F404-K406 PolarHBondContact O-N 3.41Å; F404-H407 HydrophobicContact CB-CB 3.76Å; F404-H407 HydrophobicContact CD2-CB 4.17Å; F404-H407 AromaticContact CD2-CD2 3.44Å; F404-H407 VanDerWaalsContact CD2-CD2 3.44Å; F404-H407 WeakPolarHBondContact CD2-CD2 3.43Å; F404-H407 AromaticContact CD2-CG 3.8Å; F404-H407 AromaticContact CD2-NE2 3.93Å; F404-H407 AromaticContact CE2-CD2 3.67Å; F404-H407 AromaticContact CE2-NE2 3.79Å; F404-H407 HydrophobicContact CG-CB 4.22Å; F404-L410 HydrophobicContact CD1-CD2 3.55Å; F404-L410 HydrophobicContact CE1-CD2 3.2Å; F404-L410 HydrophobicContact CG-CD2 4.46Å; F404-L410 HydrophobicContact CZ-CD2 3.87Å
405E86.7Confident93Very high183 Ų18356.7 Ų56.786%0.85529%0.29SS*.THydrogen-bonded Turntrans-63.2-41.2172.5-64.6178.7-176.600112.1A403A403-E405 PolarHBondContact O-N 2.62Å
406K89.2Confident93Very high132 Ų13258.8 Ų58.857%0.57429%0.293SS*.THydrogen-bonded Turntrans-137.867.1-176.3-59.9-173.2-174.8175.80111.6F404 A408 E409 L410F404-K406 VanDerWaalsContact C-N 3.34Å; F404-K406 PolarHBondContact O-N 3.41Å; K406-A408 VanDerWaalsContact C-N 3.35Å; K406-A408 PolarHBondContact O-N 2.84Å; K406-E409 HydrophobicContact CB-CB 3.94Å; K406-E409 WeakPolarHBondContact CD-OE2 3.13Å; K406-E409 IonicContact NZ-OE2 3.87Å; K406-E409 PolarHBondContact NZ-OE2 3.28Å; K406-E409 PolarHBondContact O-N 2.7Å; K406-L410 PolarHBondContact O-N 3.12Å; K406-L410 VanDerWaalsContact O-N 3.07Å
407H92Very high92.8Very high66 Ų6655.7 Ų55.731%0.30629%0.285SS..Hα-helixtrans-56.4-44.1-175-172.5-154000113.5A311 F404 E409 L410 L411A311-H407 PolarHBondContact O-NE2 3.04Å; F404-H407 HydrophobicContact CB-CB 3.76Å; F404-H407 HydrophobicContact CD2-CB 4.17Å; F404-H407 AromaticContact CD2-CD2 3.44Å; F404-H407 VanDerWaalsContact CD2-CD2 3.44Å; F404-H407 WeakPolarHBondContact CD2-CD2 3.43Å; F404-H407 AromaticContact CD2-CG 3.8Å; F404-H407 AromaticContact CD2-NE2 3.93Å; F404-H407 AromaticContact CE2-CD2 3.67Å; F404-H407 AromaticContact CE2-NE2 3.79Å; F404-H407 HydrophobicContact CG-CB 4.22Å; H407-E409 PolarHBondContact O-N 2.89Å; H407-L410 WeakPolarHBondContact O-CB 3.48Å; H407-L410 PolarHBondContact O-N 2.9Å; H407-L411 WeakPolarHBondContact O-CG 3.23Å; H407-L411 PolarHBondContact O-N 3.12Å
408A93.1Very high92.5Very high77 Ų7755.3 Ų55.364%0.63628%0.284SS*.Hα-helixtrans-63.5-39.8179.100000113K406 L411 L412K406-A408 VanDerWaalsContact C-N 3.35Å; K406-A408 PolarHBondContact O-N 2.84Å; A408-L411 PolarHBondContact O-N 2.76Å; A408-L412 WeakPolarHBondContact O-CB 3.5Å; A408-L412 PolarHBondContact O-N 2.85Å
409E92.7Very high92.2Very high75 Ų7557.4 Ų57.435%0.3530%0.297SS..Hα-helixtrans-64.1-44.7176-169.5-169.9128.400110.5Y186 K406 H407 L411 L412 V413Y186-E409 PolarHBondContact OH-OE1 3.04Å; K406-E409 HydrophobicContact CB-CB 3.94Å; K406-E409 WeakPolarHBondContact CD-OE2 3.13Å; K406-E409 IonicContact NZ-OE2 3.87Å; K406-E409 PolarHBondContact NZ-OE2 3.28Å; K406-E409 PolarHBondContact O-N 2.7Å; H407-E409 PolarHBondContact O-N 2.89Å; E409-L411 PolarHBondContact O-N 3.14Å; E409-L412 PolarHBondContact O-N 3.3Å; E409-V413 WeakPolarHBondContact O-CG2 3.36Å; E409-V413 PolarHBondContact O-N 3.39Å
410L92Very high91.8Very high8 Ų862.4 Ų62.44%0.04232%0.323CS..Hα-helixtrans-59.2-48.4176.2173.664000111.7I164 Y186 F404 K406 H407 L412 V413 L414I164-L410 HydrophobicContact CG2-CD1 3.4Å; Y186-L410 HydrophobicContact CD1-CD1 4.21Å; F404-L410 HydrophobicContact CD1-CD2 3.55Å; F404-L410 HydrophobicContact CE1-CD2 3.2Å; F404-L410 HydrophobicContact CG-CD2 4.46Å; F404-L410 HydrophobicContact CZ-CD2 3.87Å; K406-L410 PolarHBondContact O-N 3.12Å; K406-L410 VanDerWaalsContact O-N 3.07Å; H407-L410 WeakPolarHBondContact O-CB 3.48Å; H407-L410 PolarHBondContact O-N 2.9Å; L410-L412 VanDerWaalsContact C-N 3.3Å; L410-L412 PolarHBondContact O-N 3.12Å; L410-V413 PolarHBondContact O-N 2.83Å; L410-L414 HydrophobicContact CD1-CD1 4.1Å; L410-L414 HydrophobicContact CD1-CG 4.07Å; L410-L414 HydrophobicContact CG-CD1 4.08Å; L410-L414 HydrophobicContact CG-CG 4.44Å; L410-L414 WeakPolarHBondContact O-CG 3.32Å; L410-L414 PolarHBondContact O-N 2.85Å
411L93.8Very high91.3Very high38 Ų3863.1 Ų63.120%0.19933%0.327CS..Hα-helixtrans-58.3-43.9177.9-75.4172.9000111.6A311 F312 H407 A408 E409 L414 L415A311-L411 HydrophobicContact CB-CD2 3.66Å; F312-L411 HydrophobicContact CD2-CD1 4.47Å; H407-L411 WeakPolarHBondContact O-CG 3.23Å; H407-L411 PolarHBondContact O-N 3.12Å; A408-L411 PolarHBondContact O-N 2.76Å; E409-L411 PolarHBondContact O-N 3.14Å; L411-L414 PolarHBondContact O-N 2.99Å; L411-L415 VanDerWaalsContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CB 3.25Å; L411-L415 PolarHBondContact O-N 3.34Å
412L93.7Very high90.9Very high96 Ų9664.9 Ų64.950%0.50334%0.338SS..Hα-helixtrans-60.7-48.8177.1-174.961.5000110.7A408 E409 L410 L414 L415 W416A408-L412 WeakPolarHBondContact O-CB 3.5Å; A408-L412 PolarHBondContact O-N 2.85Å; E409-L412 PolarHBondContact O-N 3.3Å; L410-L412 VanDerWaalsContact C-N 3.3Å; L410-L412 PolarHBondContact O-N 3.12Å; L412-L414 PolarHBondContact O-N 2.74Å; L412-L415 PolarHBondContact O-N 3.37Å; L412-W416 PolarHBondContact O-N 2.93Å
413V92.1Very high90.4Very high29 Ų2965.4 Ų65.418%0.17635%0.351CS..Hα-helixtrans-60.6-45.6178.9170.20000112Y186 E409 L410 L415 W416 V417Y186-V413 HydrophobicContact CE2-CG1 4.17Å; Y186-V413 HydrophobicContact CE2-CG2 4.28Å; Y186-V413 WeakPolarHBondContact OH-CG2 3.37Å; E409-V413 WeakPolarHBondContact O-CG2 3.36Å; E409-V413 PolarHBondContact O-N 3.39Å; L410-V413 PolarHBondContact O-N 2.83Å; V413-L415 VanDerWaalsContact C-N 3.32Å; V413-L415 PolarHBondContact O-N 3.23Å; V413-W416 PolarHBondContact O-N 2.86Å; V413-V417 HydrophobicContact CG1-CG2 4.37Å; V413-V417 VanDerWaalsContact O-CG2 3.32Å; V413-V417 WeakPolarHBondContact O-CG2 3.23Å; V413-V417 PolarHBondContact O-N 3.14Å
414L93.7Very high89.9Confident1 Ų164.2 Ų64.21%0.00534%0.342CS..Hα-helixtrans-59.9-44.7176.9-69.2175.6000111.2P161 I164 L165 L308 A311 L410 L411 L412 V417 M418P161-L414 HydrophobicContact CB-CD2 3.83Å; P161-L414 HydrophobicContact CG-CD2 4.45Å; I164-L414 HydrophobicContact CB-CD2 4.47Å; I164-L414 HydrophobicContact CD1-CD2 4.22Å; L165-L414 HydrophobicContact CD1-CD1 4.21Å; L165-L414 HydrophobicContact CD2-CD1 3.94Å; L165-L414 HydrophobicContact CG-CD1 4.04Å; L308-L414 HydrophobicContact CD2-CB 4.34Å; A311-L414 HydrophobicContact CB-CD1 3.8Å; L410-L414 HydrophobicContact CD1-CD1 4.1Å; L410-L414 HydrophobicContact CD1-CG 4.07Å; L410-L414 HydrophobicContact CG-CD1 4.08Å; L410-L414 HydrophobicContact CG-CG 4.44Å; L410-L414 WeakPolarHBondContact O-CG 3.32Å; L410-L414 PolarHBondContact O-N 2.85Å; L411-L414 PolarHBondContact O-N 2.99Å; L412-L414 PolarHBondContact O-N 2.74Å; L414-V417 PolarHBondContact O-N 3.44Å; L414-M418 WeakPolarHBondContact O-CB 3.44Å; L414-M418 VanDerWaalsContact O-CG 3.25Å; L414-M418 WeakPolarHBondContact O-CG 3.48Å; L414-M418 PolarHBondContact O-N 3.36Å
415L93.7Very high89.5Confident87 Ų8763.5 Ų63.546%0.45534%0.339SS..Hα-helixtrans-62.2-47.7177.9-170.1136.5000111.2L308 L411 L412 V413 V417 M418 T419L308-L415 HydrophobicContact CD2-CB 4.46Å; L411-L415 VanDerWaalsContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CB 3.25Å; L411-L415 PolarHBondContact O-N 3.34Å; L412-L415 PolarHBondContact O-N 3.37Å; V413-L415 VanDerWaalsContact C-N 3.32Å; V413-L415 PolarHBondContact O-N 3.23Å; L415-V417 PolarHBondContact O-N 2.73Å; L415-M418 PolarHBondContact O-N 3.49Å; L415-T419 WeakPolarHBondContact O-CB 3.22Å; L415-T419 PolarHBondContact O-N 2.85Å; L415-T419 PolarHBondContact O-OG1 3.28Å
416W90.8Very high89Confident156 Ų15658 Ų5859%0.59132%0.317SS*.Hα-helixtrans-58.5-50176.5-86.799.9000112.7L412 V413 M418 T419 I420L412-W416 PolarHBondContact O-N 2.93Å; V413-W416 PolarHBondContact O-N 2.86Å; W416-M418 PolarHBondContact O-N 2.84Å; W416-T419 PolarHBondContact O-N 3.25Å; W416-I420 HydrophobicContact CE3-CD1 4.31Å; W416-I420 WeakPolarHBondContact O-CB 3.23Å; W416-I420 VanDerWaalsContact O-CG1 3.26Å; W416-I420 WeakPolarHBondContact O-CG1 3.49Å; W416-I420 PolarHBondContact O-N 3Å
417V90.1Very high88.5Confident35 Ų3555.7 Ų55.721%0.21231%0.311CS..Hα-helixtrans-60.3-47.7179.8171.70000110.3V157 P161 V413 L414 L415 I420 V421V157-V417 HydrophobicContact CG1-CG1 4.14Å; P161-V417 HydrophobicContact CG-CG1 4.08Å; V413-V417 HydrophobicContact CG1-CG2 4.37Å; V413-V417 VanDerWaalsContact O-CG2 3.32Å; V413-V417 WeakPolarHBondContact O-CG2 3.23Å; V413-V417 PolarHBondContact O-N 3.14Å; L414-V417 PolarHBondContact O-N 3.44Å; L415-V417 PolarHBondContact O-N 2.73Å; V417-I420 PolarHBondContact O-N 2.88Å; V417-V421 VanDerWaalsContact O-CG2 3.27Å; V417-V421 WeakPolarHBondContact O-CG2 3.41Å; V417-V421 PolarHBondContact O-N 2.86Å
418M91Very high87.7Confident5 Ų555.8 Ų55.83%0.02531%0.309CS..Hα-helixtrans-65.5-40.4179.4-70.8-175.5-165.100112.5P161 C304 L307 L308 L414 L415 W416 V421 T422P161-M418 HydrophobicContact CB-CE 3.39Å; P161-M418 HydrophobicContact CG-CE 3.93Å; P161-M418 HydrophobicContact CG-CG 4.02Å; C304-M418 HydrophobicContact CB-CG 4.48Å; C304-M418 HydrophobicContact CB-SD 3.72Å; L307-M418 HydrophobicContact CB-CE 3.57Å; L307-M418 HydrophobicContact CD1-CE 4.11Å; L308-M418 HydrophobicContact CD1-SD 3.82Å; L308-M418 HydrophobicContact CD2-CE 4.42Å; L308-M418 HydrophobicContact CD2-SD 4.06Å; L308-M418 HydrophobicContact CG-CE 4.15Å; L308-M418 HydrophobicContact CG-SD 3.58Å; L308-M418 VanDerWaalsContact CG-SD 3.58Å; L414-M418 WeakPolarHBondContact O-CB 3.44Å; L414-M418 VanDerWaalsContact O-CG 3.25Å; L414-M418 WeakPolarHBondContact O-CG 3.48Å; L414-M418 PolarHBondContact O-N 3.36Å; L415-M418 PolarHBondContact O-N 3.49Å; W416-M418 PolarHBondContact O-N 2.84Å; M418-V421 PolarHBondContact O-N 3.41Å; M418-T422 VanDerWaalsContact O-CB 3.27Å; M418-T422 WeakPolarHBondContact O-CB 3.36Å; M418-T422 PolarHBondContact O-N 2.96Å; M418-T422 PolarHBondContact O-OG1 3.38Å
419T89.2Confident86.8Confident80 Ų8052.6 Ų52.649%0.49128%0.282SS..Hα-helixtrans-64.3-44.4177.6-60.90000111.4L415 W416 T422 A423L415-T419 WeakPolarHBondContact O-CB 3.22Å; L415-T419 PolarHBondContact O-N 2.85Å; L415-T419 PolarHBondContact O-OG1 3.28Å; W416-T419 PolarHBondContact O-N 3.25Å; T419-T422 PolarHBondContact O-N 3.46Å; T419-A423 VanDerWaalsContact O-CB 3.31Å; T419-A423 WeakPolarHBondContact O-CB 3.32Å; T419-A423 PolarHBondContact O-N 3.45Å
420I87.1Confident85.6Confident106 Ų10657.3 Ų57.354%0.54430%0.297SS..Hα-helixtrans-61.3-47.4177.8-69.5167.2000110.6W416 V417 A423 A424W416-I420 HydrophobicContact CE3-CD1 4.31Å; W416-I420 WeakPolarHBondContact O-CB 3.23Å; W416-I420 VanDerWaalsContact O-CG1 3.26Å; W416-I420 WeakPolarHBondContact O-CG1 3.49Å; W416-I420 PolarHBondContact O-N 3Å; V417-I420 PolarHBondContact O-N 2.88Å; I420-A423 PolarHBondContact O-N 3.27Å; I420-A424 WeakPolarHBondContact O-CB 3.49Å; I420-A424 PolarHBondContact O-N 3.31Å
421V85.8Confident84.1Confident15 Ų1559.2 Ų59.29%0.09131%0.31CS..Hα-helixtrans-64.7-43.6178.7177.10000110.8V157 W300 V417 M418 A423 A424 Q425V157-V421 HydrophobicContact CB-CG2 4.34Å; V157-V421 HydrophobicContact CG1-CG2 3.39Å; W300-V421 HydrophobicContact CD2-CG1 4.48Å; W300-V421 HydrophobicContact CH2-CB 4.1Å; W300-V421 HydrophobicContact CH2-CG1 3.58Å; W300-V421 HydrophobicContact CZ2-CB 3.53Å; W300-V421 HydrophobicContact CZ2-CG1 3.21Å; W300-V421 HydrophobicContact CZ2-CG2 4.44Å; W300-V421 HydrophobicContact CZ3-CG1 4.33Å; V417-V421 VanDerWaalsContact O-CG2 3.27Å; V417-V421 WeakPolarHBondContact O-CG2 3.41Å; V417-V421 PolarHBondContact O-N 2.86Å; M418-V421 PolarHBondContact O-N 3.41Å; V421-A423 PolarHBondContact O-N 2.94Å; V421-A424 PolarHBondContact O-N 2.92Å; V421-Q425 HydrophobicContact CG1-CG 4.19Å; V421-Q425 WeakPolarHBondContact O-CB 3.37Å; V421-Q425 WeakPolarHBondContact O-CG 3.3Å; V421-Q425 PolarHBondContact O-N 2.92Å
422T86.2Confident81.9Confident38 Ų3863.9 Ų63.923%0.23333%0.329CS..Hα-helixtrans-60.3-45.8177.3-550000111.1W300 M418 T419 A424 Q425 V426W300-T422 PolarHBondContact NE1-OG1 3.2Å; M418-T422 VanDerWaalsContact O-CB 3.27Å; M418-T422 WeakPolarHBondContact O-CB 3.36Å; M418-T422 PolarHBondContact O-N 2.96Å; M418-T422 PolarHBondContact O-OG1 3.38Å; T419-T422 PolarHBondContact O-N 3.46Å; T422-A424 VanDerWaalsContact C-N 3.34Å; T422-A424 PolarHBondContact O-N 2.88Å; T422-Q425 PolarHBondContact O-N 3.18Å; T422-V426 HydrophobicContact CG2-CG2 4.12Å; T422-V426 WeakPolarHBondContact O-CB 3.44Å; T422-V426 VanDerWaalsContact O-CG2 3.29Å; T422-V426 WeakPolarHBondContact O-CG2 3.35Å; T422-V426 PolarHBondContact O-N 3.48Å
423A84.8Confident79.7Confident61 Ų6162.7 Ų62.750%0.50432%0.323SS..Hα-helixtrans-60.8-43.5177.700000111.4T419 I420 V421 N427T419-A423 VanDerWaalsContact O-CB 3.31Å; T419-A423 WeakPolarHBondContact O-CB 3.32Å; T419-A423 PolarHBondContact O-N 3.45Å; I420-A423 PolarHBondContact O-N 3.27Å; V421-A423 PolarHBondContact O-N 2.94Å; A423-N427 WeakPolarHBondContact O-CB 3.27Å; A423-N427 PolarHBondContact O-N 3.02Å
424A81.3Confident77.5Confident30 Ų3068.8 Ų68.825%0.24835%0.347CS..Hα-helixtrans-62.4-47.2175.500000111.9I420 V421 T422 N427 W428I420-A424 WeakPolarHBondContact O-CB 3.49Å; I420-A424 PolarHBondContact O-N 3.31Å; V421-A424 PolarHBondContact O-N 2.92Å; T422-A424 VanDerWaalsContact C-N 3.34Å; T422-A424 PolarHBondContact O-N 2.88Å; A424-N427 PolarHBondContact O-N 3.29Å; A424-W428 HydrophobicContact CB-CE3 4.46Å; A424-W428 HydrophobicContact CB-CH2 4.23Å; A424-W428 HydrophobicContact CB-CZ2 4.4Å; A424-W428 HydrophobicContact CB-CZ3 4.24Å; A424-W428 WeakPolarHBondContact O-CB 3.47Å; A424-W428 VanDerWaalsContact O-CD2 3.25Å; A424-W428 PolarHBondContact O-N 3.05Å
425Q79.8Confident75Confident15 Ų1570.6 Ų70.67%0.0737%0.366CS..Hα-helixtrans-64.6-47.2179.9-71.8-172.51.200112.3I136 W300 V421 T422 N427 W428 C429I136-Q425 HydrophobicContact CD1-CB 4.33Å; I136-Q425 HydrophobicContact CD1-CG 3.86Å; W300-Q425 VanDerWaalsContact CB-OE1 3.3Å; V421-Q425 HydrophobicContact CG1-CG 4.19Å; V421-Q425 WeakPolarHBondContact O-CB 3.37Å; V421-Q425 WeakPolarHBondContact O-CG 3.3Å; V421-Q425 PolarHBondContact O-N 2.92Å; T422-Q425 PolarHBondContact O-N 3.18Å; Q425-N427 VanDerWaalsContact C-N 3.34Å; Q425-N427 PolarHBondContact O-N 3.2Å; Q425-W428 PolarHBondContact O-N 3.01Å; Q425-C429 WeakPolarHBondContact O-CB 3.46Å; Q425-C429 PolarHBondContact O-N 2.9Å; Q425-C429 PolarHBondContact O-SG 3.33Å; Q425-C429 VanDerWaalsContact O-SG 3.36Å
426V78Confident72.8Confident67 Ų6768.5 Ų68.541%0.40636%0.361SS..Hα-helixtrans-61.4-45178171.60000110.3T422 W428 C429 W430T422-V426 HydrophobicContact CG2-CG2 4.12Å; T422-V426 WeakPolarHBondContact O-CB 3.44Å; T422-V426 VanDerWaalsContact O-CG2 3.29Å; T422-V426 WeakPolarHBondContact O-CG2 3.35Å; T422-V426 PolarHBondContact O-N 3.48Å; V426-W428 VanDerWaalsContact C-N 3.32Å; V426-W428 PolarHBondContact O-N 3.39Å; V426-C429 PolarHBondContact O-N 2.62Å; V426-W430 VanDerWaalsContact O-CB 3.27Å; V426-W430 WeakPolarHBondContact O-CB 3.35Å; V426-W430 PolarHBondContact O-N 3.29Å
427N78Confident70.7Confident84 Ų8468.5 Ų68.545%0.44937%0.365SS..Hα-helixtrans-59-42.3177.8-172.717000111.8A423 A424 Q425 F432A423-N427 WeakPolarHBondContact O-CB 3.27Å; A423-N427 PolarHBondContact O-N 3.02Å; A424-N427 PolarHBondContact O-N 3.29Å; Q425-N427 VanDerWaalsContact C-N 3.34Å; Q425-N427 PolarHBondContact O-N 3.2Å; N427-F432 WeakPolarHBondContact O-CE2 3.41Å; N427-F432 WeakPolarHBondContact OD1-CE2 2.92Å; N427-F432 VanDerWaalsContact OD1-CZ 3.23Å; N427-F432 WeakPolarHBondContact OD1-CZ 3.46Å
428W75.8Confident68.6Low68 Ų6873.8 Ų73.826%0.25839%0.385SS..Hα-helixtrans-79.3-28.4-180-60.8-21.3000113.5I136 R139 L140 L150 A424 Q425 V426I136-W428 HydrophobicContact CG2-CB 4.03Å; I136-W428 HydrophobicContact CG2-CD2 4.5Å; I136-W428 HydrophobicContact CG2-CE3 3.67Å; R139-W428 PolarHBondContact NE-O 3.43Å; R139-W428 VanDerWaalsContact NE-O 3.08Å; R139-W428 PolarHBondContact NH2-O 3.05Å; L140-W428 HydrophobicContact CD1-CD2 4.06Å; L140-W428 HydrophobicContact CD1-CE3 4.35Å; L140-W428 HydrophobicContact CD1-CH2 4.42Å; L140-W428 HydrophobicContact CD1-CZ2 4.17Å; L140-W428 HydrophobicContact CD2-CB 4.36Å; L140-W428 HydrophobicContact CD2-CD2 4.21Å; L140-W428 HydrophobicContact CD2-CG 3.83Å; L150-W428 HydrophobicContact CD1-CH2 4.37Å; L150-W428 HydrophobicContact CD2-CH2 4.45Å; A424-W428 HydrophobicContact CB-CE3 4.46Å; A424-W428 HydrophobicContact CB-CH2 4.23Å; A424-W428 HydrophobicContact CB-CZ2 4.4Å; A424-W428 HydrophobicContact CB-CZ3 4.24Å; A424-W428 WeakPolarHBondContact O-CB 3.47Å; A424-W428 VanDerWaalsContact O-CD2 3.25Å; A424-W428 PolarHBondContact O-N 3.05Å; Q425-W428 PolarHBondContact O-N 3.01Å; V426-W428 VanDerWaalsContact C-N 3.32Å; V426-W428 PolarHBondContact O-N 3.39Å
429C73.3Confident66.5Low10 Ų1079.2 Ų79.27%0.06841%0.414CS..Hα-helixtrans-80.7-26.7177.1-770000113.4R139 C293 N297 Q425 V426R139-C429 VanDerWaalsContact CZ-CA 3.48Å; R139-C429 VanDerWaalsContact CZ-O 3.3Å; R139-C429 PolarHBondContact NH1-O 2.93Å; R139-C429 PolarHBondContact NH2-O 3.31Å; C293-C429 HydrophobicContact CB-CB 4.43Å; N297-C429 WeakPolarHBondContact ND2-CB 3.08Å; N297-C429 PolarHBondContact OD1-SG 3.18Å; Q425-C429 WeakPolarHBondContact O-CB 3.46Å; Q425-C429 PolarHBondContact O-N 2.9Å; Q425-C429 PolarHBondContact O-SG 3.33Å; Q425-C429 VanDerWaalsContact O-SG 3.36Å; V426-C429 PolarHBondContact O-N 2.62Å
430W68.5Low64.7Low174 Ų17480.9 Ų80.966%0.65942%0.419SS*.SBendtrans-72.3129.5-179.3-162-94.6000111V426 F432V426-W430 VanDerWaalsContact O-CB 3.27Å; V426-W430 WeakPolarHBondContact O-CB 3.35Å; V426-W430 PolarHBondContact O-N 3.29Å; W430-F432 VanDerWaalsContact C-N 3.26Å; W430-F432 HydrophobicContact CB-CD2 4.35Å; W430-F432 HydrophobicContact CB-CE2 4.23Å; W430-F432 PolarHBondContact O-N 3.29Å
431P59.1Low62.9Low49 Ų4982.8 Ų82.832%0.31842%0.423SS..  trans-74.582.4173.130.4-31.9000109.2N433 K434P431-N433 PolarHBondContact O-N 2.84Å; P431-K434 HydrophobicContact CB-CG 4.39Å; P431-K434 HydrophobicContact CG-CD 4.44Å; P431-K434 PolarHBondContact O-N 3.49Å
432F48.9Very low61.3Low136 Ų13687.1 Ų87.160%0.59645%0.446SS*.THydrogen-bonded Turntrans-50.7-26.1173.4-88.4-89.5000112.8N427 W430 K434N427-F432 WeakPolarHBondContact O-CE2 3.41Å; N427-F432 WeakPolarHBondContact OD1-CE2 2.92Å; N427-F432 VanDerWaalsContact OD1-CZ 3.23Å; N427-F432 WeakPolarHBondContact OD1-CZ 3.46Å; W430-F432 VanDerWaalsContact C-N 3.26Å; W430-F432 HydrophobicContact CB-CD2 4.35Å; W430-F432 HydrophobicContact CB-CE2 4.23Å; W430-F432 PolarHBondContact O-N 3.29Å; F432-K434 PolarHBondContact O-N 3.21Å
433N46Very low59.8Low70 Ų7093.2 Ų93.237%0.37447%0.469SS..Hα-helixtrans-84.4-2.9-175-100.7-18000116.6A288 P431A288-N433 HydrophobicContact CB-CB 3.75Å; P431-N433 PolarHBondContact O-N 2.84Å
434K46.4Very low58.4Low157 Ų15797.1 Ų97.168%0.68348%0.482SS*.Hα-helixtrans-73-32.7170.8-76.3-168.5178.4-174.80111.9P431 F432P431-K434 HydrophobicContact CB-CG 4.39Å; P431-K434 HydrophobicContact CG-CD 4.44Å; P431-K434 PolarHBondContact O-N 3.49Å; F432-K434 PolarHBondContact O-N 3.21Å
435G42.2Very low56.9Low39 Ų39106 Ų10640%0.40252%0.518SS..Hα-helixtrans-77.7-43.8178.900000113.7K437 K438 L439G435-K437 VanDerWaalsContact C-N 3.34Å; G435-K437 PolarHBondContact O-N 3.43Å; G435-K438 PolarHBondContact O-N 3.21Å; G435-L439 PolarHBondContact O-N 3Å
436A46.3Very low55.7Low43 Ų43110.6 Ų110.636%0.35554%0.541SS..Hα-helixtrans-64.2-35.8-177.500000113.2K438 L440A436-K438 VanDerWaalsContact C-N 3.33Å; A436-L440 WeakPolarHBondContact O-CG 3.33Å; A436-L440 PolarHBondContact O-N 2.97Å
437K45.9Very low54.6Low157 Ų157112.9 Ų112.968%0.68355%0.548SS*.Hα-helixtrans-69-30173.6-82.2-171.2174.2-173.70113.2G435 K441G435-K437 VanDerWaalsContact C-N 3.34Å; G435-K437 PolarHBondContact O-N 3.43Å; K437-K441 WeakPolarHBondContact O-CB 3.38Å; K437-K441 PolarHBondContact O-N 3Å; K437-K441 VanDerWaalsContact O-N 3.09Å
438K48Very low53.3Low146 Ų146114.5 Ų114.564%0.63555%0.553SS**Hα-helixtrans-76.3-41177.2-147.2179.3-177.9-169.10111G435 A436 L440 K441 D442G435-K438 PolarHBondContact O-N 3.21Å; A436-K438 VanDerWaalsContact C-N 3.33Å; K438-L440 VanDerWaalsContact C-N 3.32Å; K438-L440 PolarHBondContact O-N 3.13Å; K438-K441 PolarHBondContact O-N 3.02Å; K438-D442 PolarHBondContact O-N 2.81Å
439L46.5Very low51.9Low119 Ų119117.2 Ų117.262%0.62357%0.571SS**Hα-helixtrans-66.1-27.2173.9-94.3153.3000114.5G435G435-L439 PolarHBondContact O-N 3Å
440L49.8Very low50.6Low114 Ų114123.9 Ų123.960%0.59760%0.602SS**Hα-helixtrans-81.6-35.8171.6-74.6167.3000111.8A436 K438 K443 D444A436-L440 WeakPolarHBondContact O-CG 3.33Å; A436-L440 PolarHBondContact O-N 2.97Å; K438-L440 VanDerWaalsContact C-N 3.32Å; K438-L440 PolarHBondContact O-N 3.13Å; L440-K443 PolarHBondContact O-N 3.22Å; L440-D444 PolarHBondContact O-N 2.86Å
441K49.4Very low49.4Very low147 Ų147120.6 Ų120.664%0.63960%0.598SS**Hα-helixtrans-64.8-41.2173.3-105.4-169.9166.6-159.90112.8K437 K438 K443 D444K437-K441 WeakPolarHBondContact O-CB 3.38Å; K437-K441 PolarHBondContact O-N 3Å; K437-K441 VanDerWaalsContact O-N 3.09Å; K438-K441 PolarHBondContact O-N 3.02Å; K441-K443 PolarHBondContact O-N 2.81Å; K441-K443 VanDerWaalsContact O-N 3.17Å; K441-D444 PolarHBondContact O-N 3.21Å; K441-D444 VanDerWaalsContact O-N 3.16Å
442D53.8Low48.7Very low105 Ų105125.7 Ų125.756%0.56162%0.618SS**THydrogen-bonded Turntrans-71.8-3.7177.9-68.4-9.6000113K438K438-D442 PolarHBondContact O-N 2.81Å
443K53Low48.7Very low166 Ų166124.9 Ų124.972%0.72262%0.62SS**THydrogen-bonded Turntrans-100-12.4172-83-170.5174.3-170.60113.8L440 K441L440-K443 PolarHBondContact O-N 3.22Å; K441-K443 PolarHBondContact O-N 2.81Å; K441-K443 VanDerWaalsContact O-N 3.17Å
444D55.7Low48.9Very low144 Ų144129.5 Ų129.577%0.7764%0.64SS**  trans-103.6-1-179.1-68.1-22.3000112.3L440 K441L440-D444 PolarHBondContact O-N 2.86Å; K441-D444 PolarHBondContact O-N 3.21Å; K441-D444 VanDerWaalsContact O-N 3.16Å
445E50Low49.1Very low217 Ų217127 Ų127100%1.01464%0.636SS**  trans-102.30165.6-69.4-178.7-171.200109.7

Retrieved 445 of 445 residues in 550.1 ms (Link to these results)

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