A0A060W9G3_ONCMY Loading...

Sidoreflexin

AlphaFold DB , UniProt , Accession A0A060W9G3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 320 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
1M39.1Very low65.2Low240 Ų24086.7 Ų86.7100%1.18254%0.544SS*.  0122.10-69.4174.9-168.700106.6V3M1-V3 PolarHBondContact O-N 3.36Å
2A41.3Very low66.7Low91 Ų9189.8 Ų89.875%0.75254%0.538SS*.  trans-62135.117800000109S4A2-S4 PolarHBondContact O-N 2.73Å; A2-S4 PolarHBondContact O-OG 3.48Å
3V54.9Low68.2Low44 Ų4487.2 Ų87.227%0.26751%0.512SS..  trans-69.268.2177.2-168.90000108.7M1 G5 F6 T60 L65M1-V3 PolarHBondContact O-N 3.36Å; V3-G5 PolarHBondContact O-N 2.7Å; V3-F6 HydrophobicContact CG1-CB 3.4Å; V3-F6 HydrophobicContact CG1-CG 4.18Å; V3-T60 WeakPolarHBondContact CG2-O 3.38Å; V3-L65 HydrophobicContact CB-CD1 4.38Å; V3-L65 HydrophobicContact CG1-CD1 4.08Å; V3-L65 HydrophobicContact CG2-CD1 4.35Å
4S50.6Low69.3Low117 Ų11787.2 Ų87.282%0.81851%0.509SS*.THydrogen-bonded Turntrans-82107.1-178.445.60000108.5A2A2-S4 PolarHBondContact O-N 2.73Å; A2-S4 PolarHBondContact O-OG 3.48Å
5G63.3Low70.2Confident82 Ų8283.9 Ų83.985%0.84549%0.487SS*.THydrogen-bonded Turntrans1137.717800000116.2V3 D7V3-G5 PolarHBondContact O-N 2.7Å; G5-D7 PolarHBondContact O-N 3.04Å
6F71.3Confident70.9Confident46 Ų4684.3 Ų84.320%0.20250%0.496CS..  trans-80.1112.5173.4-178.1-98000111.2V3 I8 E62 L65 H66V3-F6 HydrophobicContact CG1-CB 3.4Å; V3-F6 HydrophobicContact CG1-CG 4.18Å; F6-I8 HydrophobicContact CD1-CB 4.29Å; F6-I8 HydrophobicContact CE1-CB 3.88Å; F6-I8 HydrophobicContact CE1-CD1 4.39Å; F6-I8 HydrophobicContact CE1-CG1 4Å; F6-E62 HydrophobicContact CD2-CG 3.78Å; F6-E62 HydrophobicContact CE2-CG 3.83Å; F6-L65 HydrophobicContact CD1-CB 4.26Å; F6-L65 HydrophobicContact CD1-CD1 3.74Å; F6-L65 HydrophobicContact CE1-CB 3.73Å; F6-L65 HydrophobicContact CE1-CD1 4.11Å; F6-L65 HydrophobicContact CE1-CG 4.49Å; F6-L65 HydrophobicContact CG-CD1 4.2Å; F6-L65 HydrophobicContact CZ-CB 4.13Å; F6-H66 AromaticContact CE2-CE1 3.33Å; F6-H66 WeakPolarHBondContact CE2-CE1 3.36Å; F6-H66 AromaticContact CE2-NE2 3.41Å; F6-H66 WeakPolarHBondContact CE2-NE2 3.32Å; F6-H66 AromaticContact CZ-CE1 3.56Å; F6-H66 AromaticContact CZ-ND1 3.85Å; F6-H66 AromaticContact CZ-NE2 3.93Å
7D77.5Confident71.8Confident89 Ų8983.2 Ų83.248%0.47649%0.49SS..  trans-88.3113.4169.9-170.3-21000109.5G5 D9 V10G5-D7 PolarHBondContact O-N 3.04Å; D7-D9 VanDerWaalsContact C-N 3.29Å; D7-D9 PolarHBondContact O-N 2.83Å; D7-D9 PolarHBondContact OD1-N 3.16Å; D7-V10 HydrophobicContact CB-CB 4.29Å; D7-V10 HydrophobicContact CB-CG2 3.82Å; D7-V10 WeakPolarHBondContact OD2-CG2 3.47Å
8I79.5Confident72.6Confident6 Ų683.8 Ų83.83%0.03149%0.486CS..SBendtrans-76.4-17.5-177.2-164.4155.8000113.4F6 V48 C51 R52 K69F6-I8 HydrophobicContact CD1-CB 4.29Å; F6-I8 HydrophobicContact CE1-CB 3.88Å; F6-I8 HydrophobicContact CE1-CD1 4.39Å; F6-I8 HydrophobicContact CE1-CG1 4Å; I8-V48 HydrophobicContact CD1-CB 4.05Å; I8-V48 HydrophobicContact CD1-CG1 3.88Å; I8-V48 HydrophobicContact CD1-CG2 3.9Å; I8-V48 HydrophobicContact CG1-CG1 4.36Å; I8-C51 HydrophobicContact CD1-CB 3.75Å; I8-R52 HydrophobicContact CG2-CG 3.56Å; I8-K69 HydrophobicContact CG1-CB 4.23Å; I8-K69 HydrophobicContact CG1-CD 4.1Å; I8-K69 HydrophobicContact CG1-CG 4.3Å; I8-K69 WeakPolarHBondContact O-CE 3.23Å
9D79.1Confident73.5Confident88 Ų8884.9 Ų84.947%0.47149%0.488SS..SBendtrans-90.6-15.7-179.4-67.9-45000112D7 R52D7-D9 VanDerWaalsContact C-N 3.29Å; D7-D9 PolarHBondContact O-N 2.83Å; D7-D9 PolarHBondContact OD1-N 3.16Å; D9-R52 IonicContact OD1-CZ 3.35Å; D9-R52 VanDerWaalsContact OD1-CZ 3.3Å; D9-R52 IonicContact OD1-NE 3.48Å; D9-R52 PolarHBondContact OD1-NE 3.12Å; D9-R52 IonicContact OD1-NH2 3.9Å; D9-R52 PolarHBondContact OD1-NH2 3.45Å; D9-R52 IonicContact OD2-NE 3.68Å; D9-R52 PolarHBondContact OD2-NE 2.91Å
10V80.9Confident74.2Confident88 Ų8881 Ų8153%0.53347%0.467SS..SBendtrans-72.3129.1171.6175.10000110.4D7 R12D7-V10 HydrophobicContact CB-CB 4.29Å; D7-V10 HydrophobicContact CB-CG2 3.82Å; D7-V10 WeakPolarHBondContact OD2-CG2 3.47Å; V10-R12 PolarHBondContact O-N 3.4Å
11P80.1Confident74.8Confident63 Ų6378.2 Ų78.241%0.40945%0.448SS..  trans-58.1130.2175.4-2433.2000111.9W13 Q15P11-W13 PolarHBondContact O-N 3.36Å; P11-Q15 HydrophobicContact CB-CG 4Å; P11-Q15 HydrophobicContact CG-CG 4.05Å
12R83.1Confident77.2Confident123 Ų12368.8 Ų68.846%0.46440%0.403SS..SBendtrans-52.7-30.7177.5-179.5177.1-175.41763.5114.4V10 H66V10-R12 PolarHBondContact O-N 3.4Å; R12-H66 WeakPolarHBondContact CD-ND1 3.44Å
13W86.1Confident79.4Confident56 Ų5669.4 Ų69.421%0.21239%0.388CS..SBendtrans-122.4145.9-179.5-58.4-75.4000110.6P11 Q15 G20 K23 H24 N27P11-W13 PolarHBondContact O-N 3.36Å; W13-Q15 PolarHBondContact O-N 2.85Å; W13-Q15 PolarHBondContact O-NE2 3.14Å; W13-G20 WeakPolarHBondContact CB-O 3.46Å; W13-K23 HydrophobicContact CD2-CB 3.63Å; W13-K23 HydrophobicContact CE3-CB 4.1Å; W13-K23 HydrophobicContact CG-CB 3.83Å; W13-K23 HydrophobicContact CG-CD 4.26Å; W13-K23 HydrophobicContact CZ2-CB 4.29Å; W13-H24 VanDerWaalsContact CE3-CA 3.47Å; W13-H24 HydrophobicContact CE3-CB 3.98Å; W13-N27 HydrophobicContact CH2-CB 3.68Å; W13-N27 HydrophobicContact CZ3-CB 3.56Å
14D83.5Confident80.9Confident88 Ų8868.4 Ų68.447%0.47138%0.381SS..  trans-59.4118.6179175.917.6000112.3S16 T17 G20D14-S16 VanDerWaalsContact C-N 3.28Å; D14-S16 VanDerWaalsContact CG-OG 3.23Å; D14-S16 PolarHBondContact O-N 3.27Å; D14-S16 VanDerWaalsContact OD1-CB 3.23Å; D14-S16 WeakPolarHBondContact OD1-CB 3.33Å; D14-S16 PolarHBondContact OD1-N 3.48Å; D14-S16 PolarHBondContact OD1-OG 3.19Å; D14-S16 PolarHBondContact OD2-OG 3.41Å; D14-T17 PolarHBondContact O-OG1 3.03Å; D14-T17 WeakPolarHBondContact OD2-CG2 3.41Å; D14-G20 CarbonylContact O-C 3.49Å; D14-G20 VanDerWaalsContact O-CA 3.24Å; D14-G20 WeakPolarHBondContact O-CA 3.41Å
15Q82.4Confident82.6Confident38 Ų3863 Ų6318%0.17834%0.343CS..SBendtrans-79-9.4-179.6-60.7-56.4-59.700113.3P11 W13 R21 H24P11-Q15 HydrophobicContact CB-CG 4Å; P11-Q15 HydrophobicContact CG-CG 4.05Å; W13-Q15 PolarHBondContact O-N 2.85Å; W13-Q15 PolarHBondContact O-NE2 3.14Å; Q15-R21 HydrophobicContact CB-CG 4.43Å; Q15-R21 VanDerWaalsContact O-CD 3.29Å; Q15-R21 WeakPolarHBondContact O-CD 3.49Å; Q15-R21 WeakPolarHBondContact O-CG 3.49Å; Q15-R21 PolarHBondContact O-NH1 3.38Å; Q15-H24 VanDerWaalsContact NE2-CB 3.32Å
16S81.4Confident83.7Confident89 Ų8961.2 Ų61.262%0.62232%0.32SS*.SBendtrans-72.9-33.8176.887.10000112D14 R21D14-S16 VanDerWaalsContact C-N 3.28Å; D14-S16 VanDerWaalsContact CG-OG 3.23Å; D14-S16 PolarHBondContact O-N 3.27Å; D14-S16 VanDerWaalsContact OD1-CB 3.23Å; D14-S16 WeakPolarHBondContact OD1-CB 3.33Å; D14-S16 PolarHBondContact OD1-N 3.48Å; D14-S16 PolarHBondContact OD1-OG 3.19Å; D14-S16 PolarHBondContact OD2-OG 3.41Å; S16-R21 PolarHBondContact O-NH1 2.91Å
17T86.6Confident84.4Confident66 Ų6660.3 Ų60.341%0.40532%0.317SS..SBendtrans-91.5147.3179.9660000112.5D14 M19 G20 R21D14-T17 PolarHBondContact O-OG1 3.03Å; D14-T17 WeakPolarHBondContact OD2-CG2 3.41Å; T17-M19 VanDerWaalsContact C-N 3.32Å; T17-M19 PolarHBondContact O-N 3.18Å; T17-G20 PolarHBondContact O-N 3.08Å; T17-G20 PolarHBondContact OG1-N 3.17Å; T17-G20 VanDerWaalsContact OG1-N 3.16Å; T17-R21 WeakPolarHBondContact O-CG 3.44Å; T17-R21 PolarHBondContact O-N 3.24Å; T17-R21 VanDerWaalsContact O-N 3.1Å; T17-R21 PolarHBondContact O-NH1 2.78Å
18F86.9Confident84.6Confident95 Ų9557.2 Ų57.242%0.41730%0.3SS..Hα-helixtrans-59.1-44174.7175.3-95.7000111.9G20 R21 L22 S282F18-G20 PolarHBondContact O-N 3.08Å; F18-R21 PolarHBondContact O-N 3.39Å; F18-L22 HydrophobicContact CE1-CD2 4.22Å; F18-L22 WeakPolarHBondContact O-CB 3.48Å; F18-L22 PolarHBondContact O-N 3.48Å; F18-S282 WeakPolarHBondContact CD2-O 3.44Å; F18-S282 WeakPolarHBondContact CE2-OG 3.49Å
19M88.2Confident84.8Confident105 Ų10557.2 Ų57.252%0.51730%0.301SS..Hα-helixtrans-65.7-38.3-178.3-173.459.166.600112.3T17 L22 K23T17-M19 VanDerWaalsContact C-N 3.32Å; T17-M19 PolarHBondContact O-N 3.18Å; M19-L22 PolarHBondContact O-N 3.47Å; M19-L22 HydrophobicContact SD-CD2 4.14Å; M19-K23 WeakPolarHBondContact O-CG 3.3Å; M19-K23 PolarHBondContact O-N 3.1Å
20G87.2Confident85.1Confident6 Ų653.7 Ų53.76%0.06228%0.282CS..Hα-helixtrans-67.8-42.7175.900000112.2W13 D14 T17 F18 L22 K23 H24W13-G20 WeakPolarHBondContact CB-O 3.46Å; D14-G20 CarbonylContact O-C 3.49Å; D14-G20 VanDerWaalsContact O-CA 3.24Å; D14-G20 WeakPolarHBondContact O-CA 3.41Å; T17-G20 PolarHBondContact O-N 3.08Å; T17-G20 PolarHBondContact OG1-N 3.17Å; T17-G20 VanDerWaalsContact OG1-N 3.16Å; F18-G20 PolarHBondContact O-N 3.08Å; G20-L22 VanDerWaalsContact C-N 3.34Å; G20-L22 PolarHBondContact O-N 2.8Å; G20-K23 PolarHBondContact O-N 3.41Å; G20-H24 WeakPolarHBondContact O-CB 3.42Å; G20-H24 PolarHBondContact O-N 3.24Å
21R88.6Confident85.3Confident22 Ų2254.8 Ų54.88%0.08328%0.276CS..Hα-helixtrans-59.2-43.1170.7-68.6-168.2-64.1-86.22.5112.6Q15 S16 T17 F18 H24 F25 S282Q15-R21 HydrophobicContact CB-CG 4.43Å; Q15-R21 VanDerWaalsContact O-CD 3.29Å; Q15-R21 WeakPolarHBondContact O-CD 3.49Å; Q15-R21 WeakPolarHBondContact O-CG 3.49Å; Q15-R21 PolarHBondContact O-NH1 3.38Å; S16-R21 PolarHBondContact O-NH1 2.91Å; T17-R21 WeakPolarHBondContact O-CG 3.44Å; T17-R21 PolarHBondContact O-N 3.24Å; T17-R21 VanDerWaalsContact O-N 3.1Å; T17-R21 PolarHBondContact O-NH1 2.78Å; F18-R21 PolarHBondContact O-N 3.39Å; R21-H24 PolarHBondContact O-N 3.42Å; R21-F25 VanDerWaalsContact O-CD2 3.25Å; R21-F25 WeakPolarHBondContact O-CD2 3.25Å; R21-F25 PolarHBondContact O-N 3.43Å; R21-S282 PolarHBondContact NE-O 3.39Å; R21-S282 PolarHBondContact NH2-O 3.46Å
22L88.4Confident85.6Confident42 Ų4258.9 Ų58.922%0.2228%0.284CS..Hα-helixtrans-60.5-47.2179.1-179.568.6000111.1F18 M19 G20 H24 F25 A26 P278 A279F18-L22 HydrophobicContact CE1-CD2 4.22Å; F18-L22 WeakPolarHBondContact O-CB 3.48Å; F18-L22 PolarHBondContact O-N 3.48Å; M19-L22 PolarHBondContact O-N 3.47Å; M19-L22 HydrophobicContact SD-CD2 4.14Å; G20-L22 VanDerWaalsContact C-N 3.34Å; G20-L22 PolarHBondContact O-N 2.8Å; L22-H24 VanDerWaalsContact C-N 3.35Å; L22-H24 PolarHBondContact O-N 3.05Å; L22-F25 PolarHBondContact O-N 3.31Å; L22-A26 WeakPolarHBondContact O-CB 3.33Å; L22-A26 PolarHBondContact O-N 2.96Å; L22-P278 HydrophobicContact CD1-CB 4.01Å; L22-P278 HydrophobicContact CD1-CG 4.37Å; L22-A279 HydrophobicContact CD1-CB 4.14Å
23K87.5Confident85.6Confident104 Ų10453.1 Ų53.145%0.45226%0.262SS..Hα-helixtrans-61.6-42.3176.2-72.6175.4179.7179.80111.9W13 M19 G20 A26 N27W13-K23 HydrophobicContact CD2-CB 3.63Å; W13-K23 HydrophobicContact CE3-CB 4.1Å; W13-K23 HydrophobicContact CG-CB 3.83Å; W13-K23 HydrophobicContact CG-CD 4.26Å; W13-K23 HydrophobicContact CZ2-CB 4.29Å; M19-K23 WeakPolarHBondContact O-CG 3.3Å; M19-K23 PolarHBondContact O-N 3.1Å; G20-K23 PolarHBondContact O-N 3.41Å; K23-A26 PolarHBondContact O-N 3.42Å; K23-N27 WeakPolarHBondContact O-CB 3.36Å; K23-N27 PolarHBondContact O-N 2.85Å
24H87.1Confident85.4Confident24 Ų2451.1 Ų51.111%0.11126%0.258CS..Hα-helixtrans-60.5-52.3176.8176.777.7000112.2W13 Q15 G20 R21 L22 A26 N27 I28W13-H24 VanDerWaalsContact CE3-CA 3.47Å; W13-H24 HydrophobicContact CE3-CB 3.98Å; Q15-H24 VanDerWaalsContact NE2-CB 3.32Å; G20-H24 WeakPolarHBondContact O-CB 3.42Å; G20-H24 PolarHBondContact O-N 3.24Å; R21-H24 PolarHBondContact O-N 3.42Å; L22-H24 VanDerWaalsContact C-N 3.35Å; L22-H24 PolarHBondContact O-N 3.05Å; H24-A26 PolarHBondContact O-N 3.49Å; H24-N27 WeakPolarHBondContact O-CB 3.25Å; H24-N27 PolarHBondContact O-N 2.91Å; H24-I28 VanDerWaalsContact CE1-CD1 3.46Å; H24-I28 WeakPolarHBondContact CE1-CD1 3.38Å; H24-I28 WeakPolarHBondContact NE2-CD1 3.19Å; H24-I28 PolarHBondContact O-N 3.08Å; H24-I28 VanDerWaalsContact O-N 3.13Å
25F85.3Confident85.5Confident3 Ų353.3 Ų53.31%0.01327%0.269CS..Hα-helixtrans-66.9-38.3178.4-75.8-62.8000112.5R21 L22 N27 I28 T29 P278 C281 Q286 L320R21-F25 VanDerWaalsContact O-CD2 3.25Å; R21-F25 WeakPolarHBondContact O-CD2 3.25Å; R21-F25 PolarHBondContact O-N 3.43Å; L22-F25 PolarHBondContact O-N 3.31Å; F25-N27 PolarHBondContact O-N 3.32Å; F25-I28 PolarHBondContact O-N 3.03Å; F25-I28 VanDerWaalsContact O-N 3.16Å; F25-T29 WeakPolarHBondContact O-CB 3.29Å; F25-T29 WeakPolarHBondContact O-CG2 3.24Å; F25-T29 PolarHBondContact O-N 3.41Å; F25-T29 PolarHBondContact O-OG1 2.84Å; F25-P278 HydrophobicContact CB-CB 3.88Å; F25-C281 HydrophobicContact CB-CB 4.12Å; F25-C281 HydrophobicContact CD1-CB 3.68Å; F25-C281 HydrophobicContact CD2-CB 3.56Å; F25-C281 HydrophobicContact CE1-CB 3.89Å; F25-C281 HydrophobicContact CE2-CB 3.76Å; F25-C281 WeakPolarHBondContact CE2-O 3.35Å; F25-C281 HydrophobicContact CG-CB 3.5Å; F25-C281 VanDerWaalsContact CG-CB 3.5Å; F25-C281 HydrophobicContact CZ-CB 3.91Å; F25-Q286 HydrophobicContact CZ-CG 4.16Å; F25-Q286 VanDerWaalsContact CZ-NE2 3.29Å; F25-L320 HydrophobicContact CE1-CD2 3.39Å; F25-L320 HydrophobicContact CZ-CD2 3.53Å
26A87Confident85.8Confident44 Ų4453.6 Ų53.636%0.36427%0.271SS..Hα-helixtrans-60.7-30.4175.400000112.2L22 K23 H24 D30 P278L22-A26 WeakPolarHBondContact O-CB 3.33Å; L22-A26 PolarHBondContact O-N 2.96Å; K23-A26 PolarHBondContact O-N 3.42Å; H24-A26 PolarHBondContact O-N 3.49Å; A26-D30 PolarHBondContact O-N 3.44Å; A26-P278 HydrophobicContact CB-CB 3.94Å; A26-P278 HydrophobicContact CB-CG 4.21Å
27N86.3Confident86Confident28 Ų2852.8 Ų52.815%0.1526%0.264CS..Hα-helixtrans-73-42.8175.5-168.558.1000112.4W13 K23 H24 F25 D30 K70W13-N27 HydrophobicContact CH2-CB 3.68Å; W13-N27 HydrophobicContact CZ3-CB 3.56Å; K23-N27 WeakPolarHBondContact O-CB 3.36Å; K23-N27 PolarHBondContact O-N 2.85Å; H24-N27 WeakPolarHBondContact O-CB 3.25Å; H24-N27 PolarHBondContact O-N 2.91Å; F25-N27 PolarHBondContact O-N 3.32Å; N27-D30 WeakPolarHBondContact O-CB 3.39Å; N27-K70 WeakPolarHBondContact ND2-CB 3.14Å; N27-K70 WeakPolarHBondContact ND2-CG 3.47Å; N27-K70 WeakPolarHBondContact O-CE 3.45Å; N27-K70 WeakPolarHBondContact OD1-CD 3.18Å; N27-K70 WeakPolarHBondContact OD1-CE 3.18Å; N27-K70 WeakPolarHBondContact OD1-CG 3.38Å; N27-K70 PolarHBondContact OD1-NZ 3.2Å
28I81.7Confident86Confident23 Ų2353.6 Ų53.612%0.11827%0.266CS..Hα-helixtrans-73-37.8-179.8-65.8173.3000111.5H24 F25 D30 D73 M90H24-I28 VanDerWaalsContact CE1-CD1 3.46Å; H24-I28 WeakPolarHBondContact CE1-CD1 3.38Å; H24-I28 WeakPolarHBondContact NE2-CD1 3.19Å; H24-I28 PolarHBondContact O-N 3.08Å; H24-I28 VanDerWaalsContact O-N 3.13Å; F25-I28 PolarHBondContact O-N 3.03Å; F25-I28 VanDerWaalsContact O-N 3.16Å; I28-D30 PolarHBondContact O-N 3.35Å; I28-D73 HydrophobicContact CG1-CB 4.42Å; I28-M90 HydrophobicContact CG2-CB 4.17Å
29T83.3Confident86Confident7 Ų752.2 Ų52.24%0.04327%0.268CS..THydrogen-bonded Turntrans-89.216.9-177.768.80000112.5F25 W31 M90 V277F25-T29 WeakPolarHBondContact O-CB 3.29Å; F25-T29 WeakPolarHBondContact O-CG2 3.24Å; F25-T29 PolarHBondContact O-N 3.41Å; F25-T29 PolarHBondContact O-OG1 2.84Å; T29-W31 PolarHBondContact O-N 2.88Å; T29-M90 HydrophobicContact CG2-CB 4.46Å; T29-M90 HydrophobicContact CG2-CE 4.35Å; T29-V277 HydrophobicContact CG2-CG1 3.74Å
30D86.5Confident86Confident14 Ų1452.7 Ų52.78%0.07526%0.264CS..  trans-68.6105.5178.5-172.1-12.3000109.8A26 N27 I28 R32 T33 K70A26-D30 PolarHBondContact O-N 3.44Å; N27-D30 WeakPolarHBondContact O-CB 3.39Å; I28-D30 PolarHBondContact O-N 3.35Å; D30-R32 PolarHBondContact O-N 2.9Å; D30-R32 WeakPolarHBondContact OD1-CB 3.2Å; D30-R32 WeakPolarHBondContact OD1-CG 3.07Å; D30-R32 IonicContact OD1-CZ 2.69Å; D30-R32 PolarHBondContact OD1-N 3.47Å; D30-R32 VanDerWaalsContact OD1-N 3.1Å; D30-R32 IonicContact OD1-NE 3.03Å; D30-R32 PolarHBondContact OD1-NE 3.43Å; D30-R32 IonicContact OD1-NH2 3.73Å; D30-R32 IonicContact OD2-CZ 2.59Å; D30-R32 IonicContact OD2-NE 3.8Å; D30-R32 PolarHBondContact OD2-NE 2.98Å; D30-R32 IonicContact OD2-NH2 2.7Å; D30-R32 PolarHBondContact OD2-NH2 3.49Å; D30-T33 HydrophobicContact CB-CG2 4.22Å; D30-T33 PolarHBondContact O-N 3.29Å; D30-T33 PolarHBondContact O-OG1 3.36Å; D30-K70 IonicContact OD2-NZ 3.65Å; D30-K70 PolarHBondContact OD2-NZ 2.86Å
31W84.6Confident86.1Confident110 Ų11052.4 Ų52.442%0.41726%0.261SS..G310 helixtrans-57.7-22.4-17863.5-93.2000113.6T29 T33 A34 L35 S91 V94 P95T29-W31 PolarHBondContact O-N 2.88Å; W31-T33 PolarHBondContact O-N 2.86Å; W31-A34 WeakPolarHBondContact O-CB 3.34Å; W31-A34 PolarHBondContact O-N 3.03Å; W31-A34 VanDerWaalsContact O-N 3.16Å; W31-L35 HydrophobicContact CE3-CD1 4.13Å; W31-L35 HydrophobicContact CZ3-CD1 3.7Å; W31-S91 WeakPolarHBondContact CA-O 3.44Å; W31-V94 HydrophobicContact CB-CB 4.46Å; W31-P95 HydrophobicContact CB-CG 3.92Å
32R85.6Confident86.1Confident149 Ų14955 Ų5556%0.56228%0.277SS*.G310 helixtrans-65.4-27.4178-62.1174.6-67.8179.9-0.1112D30 A34 L35D30-R32 PolarHBondContact O-N 2.9Å; D30-R32 WeakPolarHBondContact OD1-CB 3.2Å; D30-R32 WeakPolarHBondContact OD1-CG 3.07Å; D30-R32 IonicContact OD1-CZ 2.69Å; D30-R32 PolarHBondContact OD1-N 3.47Å; D30-R32 VanDerWaalsContact OD1-N 3.1Å; D30-R32 IonicContact OD1-NE 3.03Å; D30-R32 PolarHBondContact OD1-NE 3.43Å; D30-R32 IonicContact OD1-NH2 3.73Å; D30-R32 IonicContact OD2-CZ 2.59Å; D30-R32 IonicContact OD2-NE 3.8Å; D30-R32 PolarHBondContact OD2-NE 2.98Å; D30-R32 IonicContact OD2-NH2 2.7Å; D30-R32 PolarHBondContact OD2-NH2 3.49Å; R32-A34 PolarHBondContact O-N 2.88Å; R32-L35 PolarHBondContact O-N 3.39Å
33T83.9Confident86.1Confident3 Ų358.1 Ų58.12%0.01829%0.29CS..G310 helixtrans-71-22.6178.271.50000112D30 W31 L35 L36 L71 S74 S91D30-T33 HydrophobicContact CB-CG2 4.22Å; D30-T33 PolarHBondContact O-N 3.29Å; D30-T33 PolarHBondContact O-OG1 3.36Å; W31-T33 PolarHBondContact O-N 2.86Å; T33-L35 PolarHBondContact O-N 3.38Å; T33-L36 PolarHBondContact O-N 2.94Å; T33-L71 HydrophobicContact CG2-CD2 3.8Å; T33-S74 PolarHBondContact OG1-OG 3.21Å; T33-S91 VanDerWaalsContact OG1-CB 3.22Å; T33-S91 WeakPolarHBondContact OG1-CB 3.15Å
34A82.4Confident86.2Confident14 Ų1453.5 Ų53.512%0.11627%0.271CS..G310 helixtrans-69.9-18.2173.500000113.3W31 R32 L86 F92W31-A34 WeakPolarHBondContact O-CB 3.34Å; W31-A34 PolarHBondContact O-N 3.03Å; W31-A34 VanDerWaalsContact O-N 3.16Å; R32-A34 PolarHBondContact O-N 2.88Å; A34-L86 HydrophobicContact CB-CD1 4Å; A34-L86 WeakPolarHBondContact O-CD1 3.44Å; A34-F92 HydrophobicContact CB-CD2 4.4Å
35L85.8Confident86.3Confident134 Ų13454.5 Ų54.570%0.70228%0.275SS*.G310 helixtrans-92.6-4.5178.6-60.6179000113.3W31 R32 T33W31-L35 HydrophobicContact CE3-CD1 4.13Å; W31-L35 HydrophobicContact CZ3-CD1 3.7Å; R32-L35 PolarHBondContact O-N 3.39Å; T33-L35 PolarHBondContact O-N 3.38Å
36L87.1Confident86.4Confident44 Ų4456.8 Ų56.823%0.2329%0.294CS..SBendtrans-77.8143.1-177.9-68.6173.7000111.2T33 L71T33-L36 PolarHBondContact O-N 2.94Å; L36-L71 HydrophobicContact CD1-CD1 4.18Å; L36-L71 HydrophobicContact CD1-CD2 3.3Å; L36-L71 HydrophobicContact CD1-CG 4.39Å
37P86.8Confident86.5Confident71 Ų7156.3 Ų56.346%0.46129%0.286SS..  trans-70.8153.7177.730.6-34.8000111.1S39 R40P37-S39 PolarHBondContact O-N 3.47Å; P37-R40 HydrophobicContact CG-CB 4.29Å; P37-R40 HydrophobicContact CG-CG 3.68Å; P37-R40 WeakPolarHBondContact O-CB 3.4Å; P37-R40 PolarHBondContact O-N 2.84Å
38D86.8Confident86.5Confident84 Ų8455 Ų5545%0.44928%0.278SS..Hα-helixtrans-56-35.8-177.4-81.94000113.6R40 L41 D42 R83D38-R40 VanDerWaalsContact C-N 3.29Å; D38-R40 PolarHBondContact O-N 3.29Å; D38-L41 WeakPolarHBondContact O-CB 3.41Å; D38-L41 PolarHBondContact O-N 2.85Å; D38-L41 VanDerWaalsContact O-N 3.08Å; D38-D42 PolarHBondContact O-N 2.92Å; D38-R83 VanDerWaalsContact CB-NH1 3.28Å; D38-R83 PolarHBondContact O-NH2 3.33Å; D38-R83 IonicContact OD1-NH1 3.58Å; D38-R83 IonicContact OD2-CZ 2.72Å; D38-R83 IonicContact OD2-NH1 3.26Å; D38-R83 PolarHBondContact OD2-NH1 3.3Å
39S87.2Confident86.8Confident66 Ų6658 Ų5846%0.46229%0.292SS..Hα-helixtrans-58.3-39.2176.854.50000113P37 L41 D42 E43P37-S39 PolarHBondContact O-N 3.47Å; S39-L41 VanDerWaalsContact C-N 3.29Å; S39-L41 PolarHBondContact O-N 3.23Å; S39-D42 PolarHBondContact O-N 2.62Å; S39-E43 WeakPolarHBondContact O-CG 3.34Å; S39-E43 PolarHBondContact O-N 2.85Å
40R88.2Confident86.9Confident115 Ų11559.7 Ų59.743%0.43430%0.304SS..Hα-helixtrans-70.7-28.6179-65.9-72-74.4-174.5-8.2112.2P37 D38 E43 A44P37-R40 HydrophobicContact CG-CB 4.29Å; P37-R40 HydrophobicContact CG-CG 3.68Å; P37-R40 WeakPolarHBondContact O-CB 3.4Å; P37-R40 PolarHBondContact O-N 2.84Å; D38-R40 VanDerWaalsContact C-N 3.29Å; D38-R40 PolarHBondContact O-N 3.29Å; R40-E43 WeakPolarHBondContact CD-OE2 3.41Å; R40-E43 IonicContact NH1-OE2 3.3Å; R40-E43 PolarHBondContact NH1-OE2 2.69Å; R40-A44 WeakPolarHBondContact O-CB 3.4Å; R40-A44 PolarHBondContact O-N 2.96Å
41L88.5Confident86.8Confident0 Ų059.8 Ų59.80%031%0.306CS..Hα-helixtrans-74.7-38.2175.2-58.5175.4000110.5D38 S39 A44 K45 L71 A75 F76 R89D38-L41 WeakPolarHBondContact O-CB 3.41Å; D38-L41 PolarHBondContact O-N 2.85Å; D38-L41 VanDerWaalsContact O-N 3.08Å; S39-L41 VanDerWaalsContact C-N 3.29Å; S39-L41 PolarHBondContact O-N 3.23Å; L41-A44 PolarHBondContact O-N 2.85Å; L41-K45 PolarHBondContact O-N 2.83Å; L41-L71 HydrophobicContact CD2-CB 4.31Å; L41-L71 HydrophobicContact CD2-CD2 4.47Å; L41-A75 HydrophobicContact CD1-CB 3.94Å; L41-A75 HydrophobicContact CD2-CB 3.89Å; L41-A75 HydrophobicContact CG-CB 4.38Å; L41-F76 HydrophobicContact CB-CE2 4.02Å; L41-F76 HydrophobicContact CB-CZ 4.18Å; L41-F76 WeakPolarHBondContact O-CE2 3.4Å; L41-F76 WeakPolarHBondContact O-CZ 3.45Å; L41-R89 VanDerWaalsContact CD1-NH1 3.27Å
42D88.5Confident86.8Confident77 Ų7759.1 Ų59.141%0.41230%0.303SS..Hα-helixtrans-67-42.4174.4-71.6-35.9000112.7D38 S39 A44 K45 A46 R83D38-D42 PolarHBondContact O-N 2.92Å; S39-D42 PolarHBondContact O-N 2.62Å; D42-A44 VanDerWaalsContact C-N 3.28Å; D42-A44 PolarHBondContact O-N 2.74Å; D42-K45 PolarHBondContact O-N 2.84Å; D42-A46 WeakPolarHBondContact O-CB 3.15Å; D42-A46 PolarHBondContact O-N 2.81Å; D42-R83 IonicContact OD1-CZ 3.38Å; D42-R83 IonicContact OD1-NH2 3.3Å; D42-R83 PolarHBondContact OD1-NH2 2.93Å; D42-R83 IonicContact OD2-CZ 2.9Å; D42-R83 IonicContact OD2-NH2 3.78Å; D42-R83 PolarHBondContact OD2-NH2 3.48Å
43E89.1Confident86.8Confident106 Ų10655.9 Ų55.950%0.49531%0.308SS..Hα-helixtrans-56.2-45172.3-75.1168.6-158.100111.3S39 R40 A46 L47S39-E43 WeakPolarHBondContact O-CG 3.34Å; S39-E43 PolarHBondContact O-N 2.85Å; R40-E43 WeakPolarHBondContact CD-OE2 3.41Å; R40-E43 IonicContact NH1-OE2 3.3Å; R40-E43 PolarHBondContact NH1-OE2 2.69Å; E43-A46 PolarHBondContact O-N 3.32Å; E43-L47 PolarHBondContact O-N 2.9Å; E43-L47 VanDerWaalsContact O-N 3.08Å
44A88.9Confident86.7Confident7 Ų759 Ų596%0.05834%0.34CS..Hα-helixtrans-64.2-43.8177.400000111.9R40 L41 D42 L47 V48 A68 L71R40-A44 WeakPolarHBondContact O-CB 3.4Å; R40-A44 PolarHBondContact O-N 2.96Å; L41-A44 PolarHBondContact O-N 2.85Å; D42-A44 VanDerWaalsContact C-N 3.28Å; D42-A44 PolarHBondContact O-N 2.74Å; A44-L47 PolarHBondContact O-N 2.86Å; A44-V48 WeakPolarHBondContact O-CG2 3.3Å; A44-V48 PolarHBondContact O-N 2.9Å; A44-A68 HydrophobicContact CB-CB 4.19Å; A44-L71 HydrophobicContact CB-CB 3.64Å; A44-L71 HydrophobicContact CB-CD1 3.93Å; A44-L71 HydrophobicContact CB-CG 4.39Å
45K88.6Confident86.5Confident45 Ų4561.4 Ų61.420%0.19636%0.357CS..Hα-helixtrans-59.7-48.6175.9171.9168.3178.7178.70111.9L41 D42 L47 V48 E49 Y72 F76 G81L41-K45 PolarHBondContact O-N 2.83Å; D42-K45 PolarHBondContact O-N 2.84Å; K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 PolarHBondContact O-N 2.83Å; K45-V48 PolarHBondContact O-N 3.35Å; K45-V48 VanDerWaalsContact O-N 3.16Å; K45-E49 WeakPolarHBondContact CE-OE1 3.42Å; K45-E49 HydrophobicContact CG-CG 4.28Å; K45-E49 IonicContact NZ-OE1 2.85Å; K45-E49 WeakPolarHBondContact O-CB 3.45Å; K45-E49 WeakPolarHBondContact O-CG 3.44Å; K45-E49 PolarHBondContact O-N 3.25Å; K45-Y72 HydrophobicContact CB-CD2 4.05Å; K45-Y72 HydrophobicContact CB-CE2 4.35Å; K45-Y72 HydrophobicContact CD-CE2 4.37Å; K45-Y72 HydrophobicContact CG-CD2 4.2Å; K45-Y72 HydrophobicContact CG-CE2 3.99Å; K45-F76 HydrophobicContact CB-CE1 4.22Å; K45-F76 HydrophobicContact CB-CE2 3.87Å; K45-F76 HydrophobicContact CB-CZ 3.69Å; K45-F76 HydrophobicContact CD-CD1 3.74Å; K45-F76 HydrophobicContact CD-CE1 3.37Å; K45-F76 HydrophobicContact CD-CE2 4.48Å; K45-F76 HydrophobicContact CD-CG 4.43Å; K45-F76 HydrophobicContact CD-CZ 3.77Å; K45-F76 HydrophobicContact CG-CE1 4.37Å; K45-F76 HydrophobicContact CG-CZ 4.34Å; K45-G81 PolarHBondContact NZ-O 3.11Å
46A88.6Confident86.1Confident51 Ų5157.4 Ų57.442%0.42134%0.338SS..Hα-helixtrans-58.4-40.1178.500000111.7D42 E43 S50D42-A46 WeakPolarHBondContact O-CB 3.15Å; D42-A46 PolarHBondContact O-N 2.81Å; E43-A46 PolarHBondContact O-N 3.32Å; A46-S50 VanDerWaalsContact O-CB 3.31Å; A46-S50 WeakPolarHBondContact O-CB 3.47Å; A46-S50 PolarHBondContact O-N 3.48Å; A46-S50 PolarHBondContact O-OG 2.77Å
47L87.7Confident85.6Confident34 Ų3458.2 Ų58.218%0.17835%0.345CS..Hα-helixtrans-68.3-41.1177.2-174.358.4000112.5E43 A44 K45 C51 P57 T60 L65 A68E43-L47 PolarHBondContact O-N 2.9Å; E43-L47 VanDerWaalsContact O-N 3.08Å; A44-L47 PolarHBondContact O-N 2.86Å; K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 PolarHBondContact O-N 2.83Å; L47-C51 WeakPolarHBondContact O-CB 3.44Å; L47-C51 PolarHBondContact O-N 2.83Å; L47-P57 HydrophobicContact CD1-CG 3.91Å; L47-T60 HydrophobicContact CD1-CG2 4.36Å; L47-T60 HydrophobicContact CD2-CG2 4.26Å; L47-L65 HydrophobicContact CD1-CD2 4.24Å; L47-L65 HydrophobicContact CD2-CD2 4.35Å; L47-L65 HydrophobicContact CG-CD2 4.11Å; L47-A68 HydrophobicContact CB-CB 4.25Å; L47-A68 HydrophobicContact CD2-CB 3.81Å; L47-A68 HydrophobicContact CG-CB 4.25Å
48V87.2Confident84.9Confident0 Ų061.4 Ų61.40%037%0.366CS..Hα-helixtrans-64-45.9176.1172.50000111.1I8 A44 K45 C51 R52 A68 Y72I8-V48 HydrophobicContact CD1-CB 4.05Å; I8-V48 HydrophobicContact CD1-CG1 3.88Å; I8-V48 HydrophobicContact CD1-CG2 3.9Å; I8-V48 HydrophobicContact CG1-CG1 4.36Å; A44-V48 WeakPolarHBondContact O-CG2 3.3Å; A44-V48 PolarHBondContact O-N 2.9Å; K45-V48 PolarHBondContact O-N 3.35Å; K45-V48 VanDerWaalsContact O-N 3.16Å; V48-C51 WeakPolarHBondContact O-CB 3.47Å; V48-C51 PolarHBondContact O-N 3.32Å; V48-R52 WeakPolarHBondContact O-CG 3.34Å; V48-R52 PolarHBondContact O-N 3.48Å; V48-A68 HydrophobicContact CG2-CB 4.2Å; V48-Y72 HydrophobicContact CB-CD2 4.26Å; V48-Y72 HydrophobicContact CB-CG 4.34Å; V48-Y72 HydrophobicContact CG1-CD1 4.33Å; V48-Y72 HydrophobicContact CG1-CD2 4.29Å; V48-Y72 HydrophobicContact CG1-CG 4.16Å; V48-Y72 HydrophobicContact CG2-CD2 4.43Å; V48-Y72 HydrophobicContact CG2-CG 4.15Å
49E87.6Confident84.3Confident88 Ų8860.8 Ų60.841%0.41138%0.38SS..Hα-helixtrans-66-39.8179.4-71.6179.1163.200112.1K45 C51 R52 A53K45-E49 WeakPolarHBondContact CE-OE1 3.42Å; K45-E49 HydrophobicContact CG-CG 4.28Å; K45-E49 IonicContact NZ-OE1 2.85Å; K45-E49 WeakPolarHBondContact O-CB 3.45Å; K45-E49 WeakPolarHBondContact O-CG 3.44Å; K45-E49 PolarHBondContact O-N 3.25Å; E49-C51 VanDerWaalsContact C-N 3.35Å; E49-R52 PolarHBondContact O-N 3.03Å; E49-A53 WeakPolarHBondContact O-CB 3.43Å; E49-A53 PolarHBondContact O-N 3.46Å
50S85.7Confident84Confident42 Ų4258.7 Ų58.729%0.29436%0.364SS..Hα-helixtrans-63.3-42.6174.4-54.80000111.1A46 R52 A53 G54 S55A46-S50 VanDerWaalsContact O-CB 3.31Å; A46-S50 WeakPolarHBondContact O-CB 3.47Å; A46-S50 PolarHBondContact O-N 3.48Å; A46-S50 PolarHBondContact O-OG 2.77Å; S50-R52 VanDerWaalsContact C-N 3.34Å; S50-R52 PolarHBondContact O-N 2.72Å; S50-A53 CarbonylContact O-C 3.59Å; S50-A53 PolarHBondContact O-N 2.97Å; S50-A53 VanDerWaalsContact O-N 3.12Å; S50-G54 PolarHBondContact O-N 2.82Å; S50-S55 CarbonylContact C-O 3.11Å; S50-S55 WeakPolarHBondContact CB-O 3.25Å; S50-S55 CarbonylContact O-C 3.56Å; S50-S55 PolarHBondContact O-N 3.03Å; S50-S55 VanDerWaalsContact O-O 3.04Å; S50-S55 PolarHBondContact O-OG 3.1Å
51C84.9Confident83.8Confident15 Ų1556.5 Ų56.510%0.10136%0.364CS..Hα-helixtrans-60.6-42.5174.9-167.50000112I8 L47 V48 E49 A53 G54 V56 L65I8-C51 HydrophobicContact CD1-CB 3.75Å; L47-C51 WeakPolarHBondContact O-CB 3.44Å; L47-C51 PolarHBondContact O-N 2.83Å; V48-C51 WeakPolarHBondContact O-CB 3.47Å; V48-C51 PolarHBondContact O-N 3.32Å; E49-C51 VanDerWaalsContact C-N 3.35Å; C51-A53 VanDerWaalsContact C-N 3.31Å; C51-A53 PolarHBondContact O-N 2.72Å; C51-G54 PolarHBondContact O-N 3.44Å; C51-G54 VanDerWaalsContact O-N 3.08Å; C51-V56 HydrophobicContact CB-CG2 4.38Å; C51-L65 HydrophobicContact CB-CD2 4.34Å
52R84.8Confident83.6Confident97 Ų9761.5 Ų61.537%0.36639%0.387SS..Hα-helixtrans-64.6-33.2174.3-72.9178.1173.3158.7-4112.8I8 D9 V48 E49 S50 G54 Y72I8-R52 HydrophobicContact CG2-CG 3.56Å; D9-R52 IonicContact OD1-CZ 3.35Å; D9-R52 VanDerWaalsContact OD1-CZ 3.3Å; D9-R52 IonicContact OD1-NE 3.48Å; D9-R52 PolarHBondContact OD1-NE 3.12Å; D9-R52 IonicContact OD1-NH2 3.9Å; D9-R52 PolarHBondContact OD1-NH2 3.45Å; D9-R52 IonicContact OD2-NE 3.68Å; D9-R52 PolarHBondContact OD2-NE 2.91Å; V48-R52 WeakPolarHBondContact O-CG 3.34Å; V48-R52 PolarHBondContact O-N 3.48Å; E49-R52 PolarHBondContact O-N 3.03Å; S50-R52 VanDerWaalsContact C-N 3.34Å; S50-R52 PolarHBondContact O-N 2.72Å; R52-G54 PolarHBondContact O-N 3.38Å; R52-Y72 PolarHBondContact NH1-OH 3.31Å; R52-Y72 VanDerWaalsContact NH1-OH 3.12Å
53A84.8Confident83.4Confident80 Ų8064.8 Ų64.866%0.66140%0.4SS*.THydrogen-bonded Turntrans-76.20.7173.800000113.5E49 S50 C51 S55E49-A53 WeakPolarHBondContact O-CB 3.43Å; E49-A53 PolarHBondContact O-N 3.46Å; S50-A53 CarbonylContact O-C 3.59Å; S50-A53 PolarHBondContact O-N 2.97Å; S50-A53 VanDerWaalsContact O-N 3.12Å; C51-A53 VanDerWaalsContact C-N 3.31Å; C51-A53 PolarHBondContact O-N 2.72Å; A53-S55 VanDerWaalsContact C-N 3.32Å
54G80.8Confident83.2Confident68 Ų6864.5 Ų64.570%0.70140%0.399SS*.THydrogen-bonded Turntrans80.18.7-17900000114.5S50 C51 R52S50-G54 PolarHBondContact O-N 2.82Å; C51-G54 PolarHBondContact O-N 3.44Å; C51-G54 VanDerWaalsContact O-N 3.08Å; R52-G54 PolarHBondContact O-N 3.38Å
55S78.6Confident83Confident65 Ų6564.1 Ų64.146%0.45540%0.396SS..  trans-110.3100.5179.456.30000111.1S50 A53S50-S55 CarbonylContact C-O 3.11Å; S50-S55 WeakPolarHBondContact CB-O 3.25Å; S50-S55 CarbonylContact O-C 3.56Å; S50-S55 PolarHBondContact O-N 3.03Å; S50-S55 VanDerWaalsContact O-O 3.04Å; S50-S55 PolarHBondContact O-OG 3.1Å; A53-S55 VanDerWaalsContact C-N 3.32Å
56V77.9Confident82.9Confident51 Ų5163.2 Ų63.231%0.30939%0.392SS..PPolyproline II helixtrans-99.1124.6173.3-1780000109C51 T60 L65C51-V56 HydrophobicContact CB-CG2 4.38Å; V56-T60 HydrophobicContact CG1-CG2 4.24Å; V56-L65 HydrophobicContact CG1-CD1 4.44Å; V56-L65 HydrophobicContact CG1-CD2 4.42Å
57P76.8Confident82.9Confident60 Ų6065.7 Ų65.739%0.3939%0.391SS..PPolyproline II helixtrans-54.5140.3178.1-25.233.5000112.2L47 G59 T60L47-P57 HydrophobicContact CD1-CG 3.91Å; P57-G59 PolarHBondContact O-N 3.48Å; P57-T60 PolarHBondContact O-N 2.7Å; P57-T60 PolarHBondContact O-OG1 3.43Å
58P71.8Confident82.8Confident138 Ų13864.3 Ų64.390%0.89639%0.385SS*.THydrogen-bonded Turntrans-59.5126.5179-20.530.8000111.1
59G74.1Confident82.8Confident72 Ų7265.9 Ų65.974%0.74239%0.392SS*.THydrogen-bonded Turntrans92.60.3179.900000115.2P57 T61P57-G59 PolarHBondContact O-N 3.48Å; G59-T61 PolarHBondContact O-N 3.27Å
60T80.3Confident82.9Confident21 Ų2162.8 Ų62.813%0.12938%0.377CS..  trans-67.2127.5170.3-53.20000110.7V3 L47 V56 P57 Q64 L65V3-T60 WeakPolarHBondContact CG2-O 3.38Å; L47-T60 HydrophobicContact CD1-CG2 4.36Å; L47-T60 HydrophobicContact CD2-CG2 4.26Å; V56-T60 HydrophobicContact CG1-CG2 4.24Å; P57-T60 PolarHBondContact O-N 2.7Å; P57-T60 PolarHBondContact O-OG1 3.43Å; T60-Q64 HydrophobicContact CG2-CB 3.98Å; T60-L65 HydrophobicContact CG2-CD2 3.83Å; T60-L65 HydrophobicContact CG2-CG 3.83Å
61T84.7Confident82.9Confident70 Ų7061 Ų6143%0.42936%0.364SS..  trans-86.6155.7175.4590000111.1G59 E63 Q64 L65G59-T61 PolarHBondContact O-N 3.27Å; T61-E63 PolarHBondContact O-N 2.88Å; T61-Q64 WeakPolarHBondContact O-CB 3.32Å; T61-Q64 PolarHBondContact O-N 2.96Å; T61-Q64 VanDerWaalsContact O-N 3.08Å; T61-Q64 VanDerWaalsContact OG1-CD 3.3Å; T61-Q64 VanDerWaalsContact OG1-CG 3.25Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.31Å; T61-Q64 PolarHBondContact OG1-N 3.21Å; T61-Q64 PolarHBondContact OG1-OE1 3.49Å; T61-Q64 VanDerWaalsContact OG1-OE1 3.08Å; T61-L65 PolarHBondContact O-N 3.31Å
62E83.6Confident83Confident105 Ų10560.6 Ų60.649%0.49136%0.36SS..Hα-helixtrans-58.7-35.7176.1-159.6-166.4144.100111.9F6 Q64 L65 H66F6-E62 HydrophobicContact CD2-CG 3.78Å; F6-E62 HydrophobicContact CE2-CG 3.83Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 3Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 3.15Å; E62-H66 PolarHBondContact O-CD2 2.84Å; E62-H66 PolarHBondContact O-N 2.94Å; E62-H66 IonicContact OE1-CD2 3.56Å; E62-H66 IonicContact OE1-CE1 3.92Å; E62-H66 IonicContact OE1-NE2 2.85Å; E62-H66 PolarHBondContact OE1-NE2 3.16Å
63E84.3Confident83Confident146 Ų14658.2 Ų58.268%0.68236%0.355SS*.Hα-helixtrans-63.9-36.1176.3-65.1-162.4140.800112.9T61 H66 Y67T61-E63 PolarHBondContact O-N 2.88Å; E63-H66 PolarHBondContact O-N 2.81Å; E63-Y67 VanDerWaalsContact O-CB 3.3Å; E63-Y67 WeakPolarHBondContact O-CB 3.46Å; E63-Y67 PolarHBondContact O-N 3.13Å
64Q85.3Confident82.9Confident99 Ų9954.5 Ų54.546%0.46332%0.324SS..Hα-helixtrans-67.4-38174.6-75.5166.9-31.500111.5T60 T61 E62 Y67 A68T60-Q64 HydrophobicContact CG2-CB 3.98Å; T61-Q64 WeakPolarHBondContact O-CB 3.32Å; T61-Q64 PolarHBondContact O-N 2.96Å; T61-Q64 VanDerWaalsContact O-N 3.08Å; T61-Q64 VanDerWaalsContact OG1-CD 3.3Å; T61-Q64 VanDerWaalsContact OG1-CG 3.25Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.31Å; T61-Q64 PolarHBondContact OG1-N 3.21Å; T61-Q64 PolarHBondContact OG1-OE1 3.49Å; T61-Q64 VanDerWaalsContact OG1-OE1 3.08Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 3Å; Q64-Y67 PolarHBondContact O-N 3.23Å; Q64-A68 WeakPolarHBondContact O-CB 3.23Å; Q64-A68 PolarHBondContact O-N 3.48Å
65L85.5Confident83Confident0 Ų051.2 Ų51.20%029%0.291CS..Hα-helixtrans-64.8-46.5174.1-66.3172.5000111.1V3 F6 L47 C51 V56 T60 T61 E62 Y67 A68 K69V3-L65 HydrophobicContact CB-CD1 4.38Å; V3-L65 HydrophobicContact CG1-CD1 4.08Å; V3-L65 HydrophobicContact CG2-CD1 4.35Å; F6-L65 HydrophobicContact CD1-CB 4.26Å; F6-L65 HydrophobicContact CD1-CD1 3.74Å; F6-L65 HydrophobicContact CE1-CB 3.73Å; F6-L65 HydrophobicContact CE1-CD1 4.11Å; F6-L65 HydrophobicContact CE1-CG 4.49Å; F6-L65 HydrophobicContact CG-CD1 4.2Å; F6-L65 HydrophobicContact CZ-CB 4.13Å; L47-L65 HydrophobicContact CD1-CD2 4.24Å; L47-L65 HydrophobicContact CD2-CD2 4.35Å; L47-L65 HydrophobicContact CG-CD2 4.11Å; C51-L65 HydrophobicContact CB-CD2 4.34Å; V56-L65 HydrophobicContact CG1-CD1 4.44Å; V56-L65 HydrophobicContact CG1-CD2 4.42Å; T60-L65 HydrophobicContact CG2-CD2 3.83Å; T60-L65 HydrophobicContact CG2-CG 3.83Å; T61-L65 PolarHBondContact O-N 3.31Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 3.15Å; L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 3.18Å; L65-A68 PolarHBondContact O-N 3.46Å; L65-K69 WeakPolarHBondContact O-CB 3.35Å; L65-K69 PolarHBondContact O-N 3.33Å
66H86.8Confident83.2Confident25 Ų2548.3 Ų48.312%0.11627%0.27CS..Hα-helixtrans-60.4-38.7174.9-78-59.2000112.6F6 R12 E62 E63 K70F6-H66 AromaticContact CE2-CE1 3.33Å; F6-H66 WeakPolarHBondContact CE2-CE1 3.36Å; F6-H66 AromaticContact CE2-NE2 3.41Å; F6-H66 WeakPolarHBondContact CE2-NE2 3.32Å; F6-H66 AromaticContact CZ-CE1 3.56Å; F6-H66 AromaticContact CZ-ND1 3.85Å; F6-H66 AromaticContact CZ-NE2 3.93Å; R12-H66 WeakPolarHBondContact CD-ND1 3.44Å; E62-H66 PolarHBondContact O-CD2 2.84Å; E62-H66 PolarHBondContact O-N 2.94Å; E62-H66 IonicContact OE1-CD2 3.56Å; E62-H66 IonicContact OE1-CE1 3.92Å; E62-H66 IonicContact OE1-NE2 2.85Å; E62-H66 PolarHBondContact OE1-NE2 3.16Å; E63-H66 PolarHBondContact O-N 2.81Å; H66-K70 WeakPolarHBondContact O-CB 3.4Å; H66-K70 PolarHBondContact O-N 2.89Å
67Y87.3Confident83.3Confident103 Ų10346.7 Ų46.740%0.40426%0.259SS..Hα-helixtrans-71-41.1177.5-174.1-103.6000112E63 Q64 L65 K70 L71E63-Y67 VanDerWaalsContact O-CB 3.3Å; E63-Y67 WeakPolarHBondContact O-CB 3.46Å; E63-Y67 PolarHBondContact O-N 3.13Å; Q64-Y67 PolarHBondContact O-N 3.23Å; L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 3.18Å; Y67-K70 HydrophobicContact CD2-CD 4.29Å; Y67-K70 HydrophobicContact CE2-CD 4.41Å; Y67-K70 WeakPolarHBondContact O-CB 3.46Å; Y67-K70 PolarHBondContact O-N 3.18Å; Y67-L71 HydrophobicContact CD1-CD1 4.09Å; Y67-L71 HydrophobicContact CD1-CG 4.41Å; Y67-L71 HydrophobicContact CE1-CD1 3.52Å; Y67-L71 HydrophobicContact CE1-CG 4.02Å; Y67-L71 WeakPolarHBondContact O-CG 3.47Å; Y67-L71 PolarHBondContact O-N 3.28Å
68A86.7Confident83Confident5 Ų548.2 Ų48.24%0.04127%0.268CS..Hα-helixtrans-63.5-42.717400000111.5A44 L47 V48 Q64 L65 K70 L71 Y72A44-A68 HydrophobicContact CB-CB 4.19Å; L47-A68 HydrophobicContact CB-CB 4.25Å; L47-A68 HydrophobicContact CD2-CB 3.81Å; L47-A68 HydrophobicContact CG-CB 4.25Å; V48-A68 HydrophobicContact CG2-CB 4.2Å; Q64-A68 WeakPolarHBondContact O-CB 3.23Å; Q64-A68 PolarHBondContact O-N 3.48Å; L65-A68 PolarHBondContact O-N 3.46Å; A68-K70 PolarHBondContact O-N 3.02Å; A68-L71 PolarHBondContact O-N 2.85Å; A68-Y72 WeakPolarHBondContact O-CB 3.1Å; A68-Y72 PolarHBondContact O-N 3.08Å
69K87Confident83Confident33 Ų3345.7 Ų45.714%0.14325%0.248CC..Hα-helixtrans-59.7-43.7173.5-179.454.9172166.80111.9I8 L65 L71 Y72 D73I8-K69 HydrophobicContact CG1-CB 4.23Å; I8-K69 HydrophobicContact CG1-CD 4.1Å; I8-K69 HydrophobicContact CG1-CG 4.3Å; I8-K69 WeakPolarHBondContact O-CE 3.23Å; L65-K69 WeakPolarHBondContact O-CB 3.35Å; L65-K69 PolarHBondContact O-N 3.33Å; K69-L71 PolarHBondContact O-N 2.97Å; K69-Y72 PolarHBondContact O-N 3.44Å; K69-D73 WeakPolarHBondContact CD-OD2 3.25Å; K69-D73 WeakPolarHBondContact CE-OD1 3.23Å; K69-D73 WeakPolarHBondContact CE-OD2 3.39Å; K69-D73 IonicContact NZ-OD1 3.9Å; K69-D73 PolarHBondContact NZ-OD1 3.08Å; K69-D73 IonicContact NZ-OD2 3.72Å; K69-D73 WeakPolarHBondContact O-CB 3.47Å; K69-D73 VanDerWaalsContact O-CG 3.28Å; K69-D73 PolarHBondContact O-N 3.42Å
70K88.6Confident83.1Confident23 Ų2345.6 Ų45.610%0.123%0.233CC..Hα-helixtrans-54.5-50172.3174.8-170.4-170.8164.30112N27 D30 H66 Y67 A68 Y72 S74N27-K70 WeakPolarHBondContact ND2-CB 3.14Å; N27-K70 WeakPolarHBondContact ND2-CG 3.47Å; N27-K70 WeakPolarHBondContact O-CE 3.45Å; N27-K70 WeakPolarHBondContact OD1-CD 3.18Å; N27-K70 WeakPolarHBondContact OD1-CE 3.18Å; N27-K70 WeakPolarHBondContact OD1-CG 3.38Å; N27-K70 PolarHBondContact OD1-NZ 3.2Å; D30-K70 IonicContact OD2-NZ 3.65Å; D30-K70 PolarHBondContact OD2-NZ 2.86Å; H66-K70 WeakPolarHBondContact O-CB 3.4Å; H66-K70 PolarHBondContact O-N 2.89Å; Y67-K70 HydrophobicContact CD2-CD 4.29Å; Y67-K70 HydrophobicContact CE2-CD 4.41Å; Y67-K70 WeakPolarHBondContact O-CB 3.46Å; Y67-K70 PolarHBondContact O-N 3.18Å; A68-K70 PolarHBondContact O-N 3.02Å; K70-Y72 VanDerWaalsContact C-N 3.33Å; K70-S74 WeakPolarHBondContact O-CB 3.21Å; K70-S74 PolarHBondContact O-N 3.46Å; K70-S74 VanDerWaalsContact O-N 3.08Å; K70-S74 PolarHBondContact O-OG 3.31Å
71L86.9Confident82.9Confident4 Ų445 Ų452%0.02123%0.231CC..Hα-helixtrans-64.3-42.6-178.9-68.6-174.1000111T33 L36 L41 A44 Y67 A68 K69 S74 A75T33-L71 HydrophobicContact CG2-CD2 3.8Å; L36-L71 HydrophobicContact CD1-CD1 4.18Å; L36-L71 HydrophobicContact CD1-CD2 3.3Å; L36-L71 HydrophobicContact CD1-CG 4.39Å; L41-L71 HydrophobicContact CD2-CB 4.31Å; L41-L71 HydrophobicContact CD2-CD2 4.47Å; A44-L71 HydrophobicContact CB-CB 3.64Å; A44-L71 HydrophobicContact CB-CD1 3.93Å; A44-L71 HydrophobicContact CB-CG 4.39Å; Y67-L71 HydrophobicContact CD1-CD1 4.09Å; Y67-L71 HydrophobicContact CD1-CG 4.41Å; Y67-L71 HydrophobicContact CE1-CD1 3.52Å; Y67-L71 HydrophobicContact CE1-CG 4.02Å; Y67-L71 WeakPolarHBondContact O-CG 3.47Å; Y67-L71 PolarHBondContact O-N 3.28Å; A68-L71 PolarHBondContact O-N 2.85Å; K69-L71 PolarHBondContact O-N 2.97Å; L71-S74 PolarHBondContact O-N 2.67Å; L71-S74 PolarHBondContact O-OG 3.3Å; L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 3.46Å
72Y86.9Confident82.7Confident7 Ų746.5 Ų46.53%0.02724%0.236CC..Hα-helixtrans-58-55.8176.3-175.7-91.4000111.5K45 V48 R52 A68 K69 K70 S74 A75 F76K45-Y72 HydrophobicContact CB-CD2 4.05Å; K45-Y72 HydrophobicContact CB-CE2 4.35Å; K45-Y72 HydrophobicContact CD-CE2 4.37Å; K45-Y72 HydrophobicContact CG-CD2 4.2Å; K45-Y72 HydrophobicContact CG-CE2 3.99Å; V48-Y72 HydrophobicContact CB-CD2 4.26Å; V48-Y72 HydrophobicContact CB-CG 4.34Å; V48-Y72 HydrophobicContact CG1-CD1 4.33Å; V48-Y72 HydrophobicContact CG1-CD2 4.29Å; V48-Y72 HydrophobicContact CG1-CG 4.16Å; V48-Y72 HydrophobicContact CG2-CD2 4.43Å; V48-Y72 HydrophobicContact CG2-CG 4.15Å; R52-Y72 PolarHBondContact NH1-OH 3.31Å; R52-Y72 VanDerWaalsContact NH1-OH 3.12Å; A68-Y72 WeakPolarHBondContact O-CB 3.1Å; A68-Y72 PolarHBondContact O-N 3.08Å; K69-Y72 PolarHBondContact O-N 3.44Å; K70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-S74 PolarHBondContact O-N 3.27Å; Y72-S74 VanDerWaalsContact O-N 3.15Å; Y72-A75 PolarHBondContact O-N 3.24Å; Y72-A75 VanDerWaalsContact O-N 3.1Å; Y72-F76 HydrophobicContact CD2-CB 4.1Å; Y72-F76 AromaticContact CD2-CD2 3.8Å; Y72-F76 HydrophobicContact CD2-CD2 3.8Å; Y72-F76 HydrophobicContact CD2-CE2 4.44Å; Y72-F76 HydrophobicContact CD2-CG 4.05Å; Y72-F76 HydrophobicContact CE1-CB 4.48Å; Y72-F76 HydrophobicContact CE2-CB 3.97Å; Y72-F76 HydrophobicContact CE2-CD2 4.34Å; Y72-F76 HydrophobicContact CE2-CG 4.12Å; Y72-F76 HydrophobicContact CG-CB 4.45Å; Y72-F76 HydrophobicContact CG-CD2 4.3Å; Y72-F76 PolarHBondContact O-N 3.16Å
73D83.3Confident82.7Confident47 Ų4745.5 Ų45.525%0.25123%0.228SC..Hα-helixtrans-62.6-25.2-179.1-67.6-15.9000112.9I28 K69I28-D73 HydrophobicContact CG1-CB 4.42Å; K69-D73 WeakPolarHBondContact CD-OD2 3.25Å; K69-D73 WeakPolarHBondContact CE-OD1 3.23Å; K69-D73 WeakPolarHBondContact CE-OD2 3.39Å; K69-D73 IonicContact NZ-OD1 3.9Å; K69-D73 PolarHBondContact NZ-OD1 3.08Å; K69-D73 IonicContact NZ-OD2 3.72Å; K69-D73 WeakPolarHBondContact O-CB 3.47Å; K69-D73 VanDerWaalsContact O-CG 3.28Å; K69-D73 PolarHBondContact O-N 3.42Å
74S82.6Confident82.6Confident2 Ų239.3 Ų39.31%0.01420%0.199CC..Hα-helixtrans-83.2-19.7178.881.30000114.3T33 K70 L71 Y72T33-S74 PolarHBondContact OG1-OG 3.21Å; K70-S74 WeakPolarHBondContact O-CB 3.21Å; K70-S74 PolarHBondContact O-N 3.46Å; K70-S74 VanDerWaalsContact O-N 3.08Å; K70-S74 PolarHBondContact O-OG 3.31Å; L71-S74 PolarHBondContact O-N 2.67Å; L71-S74 PolarHBondContact O-OG 3.3Å; Y72-S74 PolarHBondContact O-N 3.27Å; Y72-S74 VanDerWaalsContact O-N 3.15Å
75A83.5Confident82.5Confident0 Ų038.8 Ų38.80%020%0.199CC..Hα-helixtrans-129.3-17.4-167.100000115.1L41 L71 Y72 M84L41-A75 HydrophobicContact CD1-CB 3.94Å; L41-A75 HydrophobicContact CD2-CB 3.89Å; L41-A75 HydrophobicContact CG-CB 4.38Å; L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 3.46Å; Y72-A75 PolarHBondContact O-N 3.24Å; Y72-A75 VanDerWaalsContact O-N 3.1Å; A75-M84 WeakPolarHBondContact O-CB 3.21Å; A75-M84 PolarHBondContact O-N 3.31Å
76F84.1Confident82.4Confident4 Ų442.1 Ų42.12%0.01822%0.217CC..BIsolated β-bridgetrans-119.1144.8-177.8-62.2-91.2000111.3L41 K45 Y72 G81 D82 R83 M84L41-F76 HydrophobicContact CB-CE2 4.02Å; L41-F76 HydrophobicContact CB-CZ 4.18Å; L41-F76 WeakPolarHBondContact O-CE2 3.4Å; L41-F76 WeakPolarHBondContact O-CZ 3.45Å; K45-F76 HydrophobicContact CB-CE1 4.22Å; K45-F76 HydrophobicContact CB-CE2 3.87Å; K45-F76 HydrophobicContact CB-CZ 3.69Å; K45-F76 HydrophobicContact CD-CD1 3.74Å; K45-F76 HydrophobicContact CD-CE1 3.37Å; K45-F76 HydrophobicContact CD-CE2 4.48Å; K45-F76 HydrophobicContact CD-CG 4.43Å; K45-F76 HydrophobicContact CD-CZ 3.77Å; K45-F76 HydrophobicContact CG-CE1 4.37Å; K45-F76 HydrophobicContact CG-CZ 4.34Å; Y72-F76 HydrophobicContact CD2-CB 4.1Å; Y72-F76 AromaticContact CD2-CD2 3.8Å; Y72-F76 HydrophobicContact CD2-CD2 3.8Å; Y72-F76 HydrophobicContact CD2-CE2 4.44Å; Y72-F76 HydrophobicContact CD2-CG 4.05Å; Y72-F76 HydrophobicContact CE1-CB 4.48Å; Y72-F76 HydrophobicContact CE2-CB 3.97Å; Y72-F76 HydrophobicContact CE2-CD2 4.34Å; Y72-F76 HydrophobicContact CE2-CG 4.12Å; Y72-F76 HydrophobicContact CG-CB 4.45Å; Y72-F76 HydrophobicContact CG-CD2 4.3Å; Y72-F76 PolarHBondContact O-N 3.16Å; F76-G81 WeakPolarHBondContact CD1-O 3.41Å; F76-D82 CarbonylContact C-O 3.52Å; F76-D82 VanDerWaalsContact CA-O 3.29Å; F76-D82 WeakPolarHBondContact CA-O 3.33Å; F76-R83 HydrophobicContact CD1-CB 4.11Å; F76-R83 HydrophobicContact CE1-CB 3.96Å; F76-R83 HydrophobicContact CE1-CG 4.48Å; F76-M84 WeakPolarHBondContact O-CE 3.49Å
77H78.7Confident82.2Confident17 Ų1744.2 Ų44.28%0.07923%0.228CC..  trans-67129.7178.4-160.2-78.9000110.6D79 T80 G81 D82 M84 T131 R133H77-D79 VanDerWaalsContact C-N 3.26Å; H77-D79 IonicContact CE1-OD2 3.7Å; H77-D79 PolarHBondContact CE1-OD2 3.39Å; H77-D79 PolarHBondContact ND1-N 3.22Å; H77-D79 IonicContact ND1-OD2 3.87Å; H77-D79 PolarHBondContact O-N 3.38Å; H77-T80 WeakPolarHBondContact CB-OG1 3.21Å; H77-G81 VanDerWaalsContact O-CA 3.29Å; H77-G81 WeakPolarHBondContact O-CA 3.32Å; H77-G81 PolarHBondContact O-N 3.5Å; H77-D82 PolarHBondContact N-O 2.72Å; H77-M84 HydrophobicContact CB-CE 4.26Å; H77-T131 PolarHBondContact CD2-O 3.45Å; H77-T131 VanDerWaalsContact CD2-O 3.3Å; H77-R133 PolarHBondContact CE1-O 3.31Å; H77-R133 VanDerWaalsContact CE1-O 3.22Å; H77-R133 PolarHBondContact NE2-O 3.19Å
78P71.9Confident81.6Confident91 Ų9139.3 Ų39.359%0.59121%0.209SC*.THydrogen-bonded Turntrans-60.4-37.1-177.122.6-33.3000112.4
79D71.2Confident81.4Confident86 Ų8639.4 Ų39.446%0.4621%0.208SC..THydrogen-bonded Turntrans-87.4-40.1-175.4-52.1-34.1000114.4H77 N134 A135H77-D79 VanDerWaalsContact C-N 3.26Å; H77-D79 IonicContact CE1-OD2 3.7Å; H77-D79 PolarHBondContact CE1-OD2 3.39Å; H77-D79 PolarHBondContact ND1-N 3.22Å; H77-D79 IonicContact ND1-OD2 3.87Å; H77-D79 PolarHBondContact O-N 3.38Å; D79-N134 PolarHBondContact OD2-OD1 3.18Å; D79-A135 HydrophobicContact CB-CB 3.46Å; D79-A135 VanDerWaalsContact CB-CB 3.46Å; D79-A135 PolarHBondContact OD2-N 3.09Å
80T75Confident81Confident70 Ų7038.6 Ų38.643%0.42921%0.205SC..THydrogen-bonded Turntrans-96.8-18.6-175.6740000112.7H77 D82 A135H77-T80 WeakPolarHBondContact CB-OG1 3.21Å; T80-D82 VanDerWaalsContact CB-OD2 3.27Å; T80-D82 WeakPolarHBondContact CB-OD2 3.35Å; T80-D82 PolarHBondContact O-N 2.9Å; T80-D82 VanDerWaalsContact OG1-CB 3.29Å; T80-D82 WeakPolarHBondContact OG1-CB 3.32Å; T80-D82 VanDerWaalsContact OG1-CG 3.28Å; T80-D82 PolarHBondContact OG1-N 3.1Å; T80-D82 PolarHBondContact OG1-OD2 3.42Å; T80-A135 HydrophobicContact CG2-CB 3.84Å
81G76.1Confident80.7Confident8 Ų837.5 Ų37.58%0.08220%0.2CC..  trans68.66.3-171.600000113.8K45 F76 H77K45-G81 PolarHBondContact NZ-O 3.11Å; F76-G81 WeakPolarHBondContact CD1-O 3.41Å; H77-G81 VanDerWaalsContact O-CA 3.29Å; H77-G81 WeakPolarHBondContact O-CA 3.32Å; H77-G81 PolarHBondContact O-N 3.5Å
82D82.3Confident80.6Confident101 Ų10139.8 Ų39.854%0.5421%0.21SC..PPolyproline II helixtrans-79.6151.4179.4-63.3-43.6000111.5F76 H77 T80 M84F76-D82 CarbonylContact C-O 3.52Å; F76-D82 VanDerWaalsContact CA-O 3.29Å; F76-D82 WeakPolarHBondContact CA-O 3.33Å; H77-D82 PolarHBondContact N-O 2.72Å; T80-D82 VanDerWaalsContact CB-OD2 3.27Å; T80-D82 WeakPolarHBondContact CB-OD2 3.35Å; T80-D82 PolarHBondContact O-N 2.9Å; T80-D82 VanDerWaalsContact OG1-CB 3.29Å; T80-D82 WeakPolarHBondContact OG1-CB 3.32Å; T80-D82 VanDerWaalsContact OG1-CG 3.28Å; T80-D82 PolarHBondContact OG1-N 3.1Å; T80-D82 PolarHBondContact OG1-OD2 3.42Å; D82-M84 PolarHBondContact O-N 2.86Å
83R82.3Confident80.4Confident84 Ų8440.3 Ų40.332%0.31721%0.213SC..BIsolated β-bridgetrans-68.3125.9176.6-174.9178.2-70.3167.50.1110.5D38 D42 F76D38-R83 VanDerWaalsContact CB-NH1 3.28Å; D38-R83 PolarHBondContact O-NH2 3.33Å; D38-R83 IonicContact OD1-NH1 3.58Å; D38-R83 IonicContact OD2-CZ 2.72Å; D38-R83 IonicContact OD2-NH1 3.26Å; D38-R83 PolarHBondContact OD2-NH1 3.3Å; D42-R83 IonicContact OD1-CZ 3.38Å; D42-R83 IonicContact OD1-NH2 3.3Å; D42-R83 PolarHBondContact OD1-NH2 2.93Å; D42-R83 IonicContact OD2-CZ 2.9Å; D42-R83 IonicContact OD2-NH2 3.78Å; D42-R83 PolarHBondContact OD2-NH2 3.48Å; F76-R83 HydrophobicContact CD1-CB 4.11Å; F76-R83 HydrophobicContact CE1-CB 3.96Å; F76-R83 HydrophobicContact CE1-CG 4.48Å
84M82.9Confident80.5Confident16 Ų1638.2 Ų38.28%0.07920%0.202CC..PPolyproline II helixtrans-72.1144.8172.7-66.2-174.2-176.900111.2A75 F76 H77 D82 L86 R89 T131A75-M84 WeakPolarHBondContact O-CB 3.21Å; A75-M84 PolarHBondContact O-N 3.31Å; F76-M84 WeakPolarHBondContact O-CE 3.49Å; H77-M84 HydrophobicContact CB-CE 4.26Å; D82-M84 PolarHBondContact O-N 2.86Å; M84-L86 PolarHBondContact O-N 3.06Å; M84-R89 HydrophobicContact CB-CG 3.85Å; M84-R89 PolarHBondContact O-NE 3.06Å; M84-R89 PolarHBondContact O-NH2 3.14Å; M84-R89 VanDerWaalsContact O-NH2 3.1Å; M84-T131 HydrophobicContact CB-CG2 3.58Å; M84-T131 HydrophobicContact CG-CG2 3.79Å; M84-T131 HydrophobicContact SD-CG2 4.09Å
85N83.7Confident80.7Confident88 Ų8839.7 Ų39.747%0.47121%0.211SC..PPolyproline II helixtrans-58132168.9-175-43.1000109.5I87 G88 R89N85-I87 PolarHBondContact O-N 3.38Å; N85-I87 VanDerWaalsContact O-N 3.13Å; N85-I87 PolarHBondContact OD1-N 3.48Å; N85-I87 VanDerWaalsContact OD1-N 3.1Å; N85-G88 WeakPolarHBondContact O-CA 3.4Å; N85-G88 PolarHBondContact O-N 3.29Å; N85-R89 WeakPolarHBondContact O-CG 3.33Å; N85-R89 PolarHBondContact O-N 3.36Å
86L81.6Confident80.8Confident70 Ų7040 Ų4037%0.36621%0.214SC..G310 helixtrans-46.7-45.8-177.8179.562.9000112.9A34 M84 G88 R89 F92A34-L86 HydrophobicContact CB-CD1 4Å; A34-L86 WeakPolarHBondContact O-CD1 3.44Å; M84-L86 PolarHBondContact O-N 3.06Å; L86-G88 VanDerWaalsContact C-N 3.26Å; L86-G88 PolarHBondContact O-N 3.39Å; L86-R89 WeakPolarHBondContact O-CB 3.34Å; L86-R89 PolarHBondContact O-N 2.96Å; L86-F92 HydrophobicContact CG-CD2 4.29Å; L86-F92 WeakPolarHBondContact O-CB 3.42Å
87I82.5Confident80.9Confident69 Ų6940.3 Ų40.335%0.35422%0.219SC..G310 helixtrans-68.5-30.1-176.5-57.3173.6000111.3N85 F92 F124 L127N85-I87 PolarHBondContact O-N 3.38Å; N85-I87 VanDerWaalsContact O-N 3.13Å; N85-I87 PolarHBondContact OD1-N 3.48Å; N85-I87 VanDerWaalsContact OD1-N 3.1Å; I87-F92 HydrophobicContact CB-CD1 4.36Å; I87-F92 HydrophobicContact CB-CE1 4.45Å; I87-F92 HydrophobicContact CG1-CE1 4.38Å; I87-F92 HydrophobicContact CG2-CD1 4.18Å; I87-F92 HydrophobicContact CG2-CE1 4.12Å; I87-F124 HydrophobicContact CG2-CD2 3.7Å; I87-F124 HydrophobicContact CG2-CE2 3.57Å; I87-L127 HydrophobicContact CB-CD2 3.77Å; I87-L127 HydrophobicContact CD1-CD2 4.48Å; I87-L127 HydrophobicContact CG2-CD2 3.61Å
88G76.4Confident81.5Confident0 Ų042 Ų420%023%0.228CC..G310 helixtrans-84.7-8.117900000114.6N85 L86 N132N85-G88 WeakPolarHBondContact O-CA 3.4Å; N85-G88 PolarHBondContact O-N 3.29Å; L86-G88 VanDerWaalsContact C-N 3.26Å; L86-G88 PolarHBondContact O-N 3.39Å; G88-N132 PolarHBondContact O-ND2 3.04Å
89R82.8Confident82.3Confident8 Ų840.1 Ų40.13%0.0322%0.22CC..SBendtrans-69.7142.4178.8-65.6175.9-169.2174.13.7110.7L41 M84 N85 L86 S91 F92 Q93L41-R89 VanDerWaalsContact CD1-NH1 3.27Å; M84-R89 HydrophobicContact CB-CG 3.85Å; M84-R89 PolarHBondContact O-NE 3.06Å; M84-R89 PolarHBondContact O-NH2 3.14Å; M84-R89 VanDerWaalsContact O-NH2 3.1Å; N85-R89 WeakPolarHBondContact O-CG 3.33Å; N85-R89 PolarHBondContact O-N 3.36Å; L86-R89 WeakPolarHBondContact O-CB 3.34Å; L86-R89 PolarHBondContact O-N 2.96Å; R89-S91 WeakPolarHBondContact CB-OG 3.32Å; R89-S91 PolarHBondContact O-N 3.31Å; R89-F92 PolarHBondContact O-N 2.84Å; R89-Q93 PolarHBondContact O-N 2.82Å
90M78Confident83.1Confident15 Ų1536.5 Ų36.57%0.07420%0.2CC..G310 helixtrans-58.4-29.3173.2-69.6-65.2-7000112.5I28 T29 F92 Q93I28-M90 HydrophobicContact CG2-CB 4.17Å; T29-M90 HydrophobicContact CG2-CB 4.46Å; T29-M90 HydrophobicContact CG2-CE 4.35Å; M90-F92 VanDerWaalsContact C-N 3.32Å; M90-F92 PolarHBondContact O-N 2.92Å; M90-Q93 VanDerWaalsContact CE-OE1 3.3Å; M90-Q93 VanDerWaalsContact O-CB 3.24Å; M90-Q93 WeakPolarHBondContact O-CB 3.31Å; M90-Q93 PolarHBondContact O-N 3.14Å; M90-Q93 PolarHBondContact SD-OE1 3.08Å
91S81.8Confident83.7Confident0 Ų033.7 Ų33.70%018%0.183CC..G310 helixtrans-65.5-30.3173.653.60000113.4W31 T33 R89 Q93 P95W31-S91 WeakPolarHBondContact CA-O 3.44Å; T33-S91 VanDerWaalsContact OG1-CB 3.22Å; T33-S91 WeakPolarHBondContact OG1-CB 3.15Å; R89-S91 WeakPolarHBondContact CB-OG 3.32Å; R89-S91 PolarHBondContact O-N 3.31Å; S91-Q93 VanDerWaalsContact C-N 3.34Å; S91-P95 WeakPolarHBondContact O-CD 3.48Å
92F85.5Confident84.1Confident53 Ų5333.3 Ų33.323%0.23218%0.179CC..G310 helixtrans-85-8.5177.3-164.8-96.3000113A34 L86 I87 R89 M90 V94 P95 G96 F124A34-F92 HydrophobicContact CB-CD2 4.4Å; L86-F92 HydrophobicContact CG-CD2 4.29Å; L86-F92 WeakPolarHBondContact O-CB 3.42Å; I87-F92 HydrophobicContact CB-CD1 4.36Å; I87-F92 HydrophobicContact CB-CE1 4.45Å; I87-F92 HydrophobicContact CG1-CE1 4.38Å; I87-F92 HydrophobicContact CG2-CD1 4.18Å; I87-F92 HydrophobicContact CG2-CE1 4.12Å; R89-F92 PolarHBondContact O-N 2.84Å; M90-F92 VanDerWaalsContact C-N 3.32Å; M90-F92 PolarHBondContact O-N 2.92Å; F92-V94 VanDerWaalsContact C-N 3.26Å; F92-V94 PolarHBondContact O-N 2.82Å; F92-P95 HydrophobicContact CD2-CB 4.1Å; F92-P95 HydrophobicContact CD2-CG 4.4Å; F92-P95 HydrophobicContact CE2-CB 4.04Å; F92-P95 HydrophobicContact CZ-CB 4.46Å; F92-P95 WeakPolarHBondContact O-CD 3.33Å; F92-G96 PolarHBondContact O-N 2.98Å; F92-F124 AromaticContact CD1-CE2 3.75Å; F92-F124 HydrophobicContact CD1-CE2 3.75Å; F92-F124 HydrophobicContact CD1-CZ 4.11Å; F92-F124 AromaticContact CE1-CE2 3.94Å; F92-F124 HydrophobicContact CE1-CE2 3.94Å
93Q82.3Confident84.3Confident17 Ų1728.7 Ų28.78%0.07916%0.155CC..Hα-helixtrans-59.5-37178.6-170.6173.2-7.500112.6R89 M90 S91 G97 M233R89-Q93 PolarHBondContact O-N 2.82Å; M90-Q93 VanDerWaalsContact CE-OE1 3.3Å; M90-Q93 VanDerWaalsContact O-CB 3.24Å; M90-Q93 WeakPolarHBondContact O-CB 3.31Å; M90-Q93 PolarHBondContact O-N 3.14Å; M90-Q93 PolarHBondContact SD-OE1 3.08Å; S91-Q93 VanDerWaalsContact C-N 3.34Å; Q93-G97 WeakPolarHBondContact O-CA 3.48Å; Q93-G97 PolarHBondContact O-N 3.36Å; Q93-M233 PolarHBondContact NE2-SD 3.36Å
94V85Confident84.4Confident4 Ų424.7 Ų24.72%0.02414%0.14CC..Hα-helixtrans-69.8-55.7176.61710000111W31 F92 G97 M98 L273 V274 V277W31-V94 HydrophobicContact CB-CB 4.46Å; F92-V94 VanDerWaalsContact C-N 3.26Å; F92-V94 PolarHBondContact O-N 2.82Å; V94-G97 PolarHBondContact O-N 2.87Å; V94-M98 VanDerWaalsContact O-CG 3.31Å; V94-M98 WeakPolarHBondContact O-CG 3.43Å; V94-M98 PolarHBondContact O-N 2.78Å; V94-L273 HydrophobicContact CG1-CB 4.26Å; V94-L273 HydrophobicContact CG2-CB 4.32Å; V94-V274 HydrophobicContact CG1-CG2 3.73Å; V94-V277 HydrophobicContact CG2-CB 4.29Å; V94-V277 HydrophobicContact CG2-CG2 3.89Å
95P86.6Confident84.3Confident32 Ų3225.5 Ų25.521%0.20815%0.145CC..Hα-helixtrans-55.2-47.7174.1-28.333.3000115W31 S91 F92 M98 A99W31-P95 HydrophobicContact CB-CG 3.92Å; S91-P95 WeakPolarHBondContact O-CD 3.48Å; F92-P95 HydrophobicContact CD2-CB 4.1Å; F92-P95 HydrophobicContact CD2-CG 4.4Å; F92-P95 HydrophobicContact CE2-CB 4.04Å; F92-P95 HydrophobicContact CZ-CB 4.46Å; F92-P95 WeakPolarHBondContact O-CD 3.33Å; P95-M98 WeakPolarHBondContact O-CG 3.48Å; P95-A99 PolarHBondContact O-N 3.47Å
96G86.7Confident84.2Confident6 Ų623.3 Ų23.36%0.06213%0.131CC..Hα-helixtrans-65.6-46.3177.700000111.4F92 M98 A99 I100F92-G96 PolarHBondContact O-N 2.98Å; G96-M98 PolarHBondContact O-N 2.92Å; G96-A99 PolarHBondContact O-N 3.38Å; G96-I100 WeakPolarHBondContact O-CB 3.26Å; G96-I100 VanDerWaalsContact O-CG1 3.24Å; G96-I100 WeakPolarHBondContact O-CG1 3.36Å; G96-I100 PolarHBondContact O-N 2.71Å
97G86.7Confident84.1Confident12 Ų1225.7 Ų25.712%0.12414%0.139CC..Hα-helixtrans-61.6-39.8179.200000113.5Q93 V94 T101 L273Q93-G97 WeakPolarHBondContact O-CA 3.48Å; Q93-G97 PolarHBondContact O-N 3.36Å; V94-G97 PolarHBondContact O-N 2.87Å; G97-T101 WeakPolarHBondContact O-CB 3.35Å; G97-T101 PolarHBondContact O-N 3.44Å; G97-T101 PolarHBondContact O-OG1 2.89Å; G97-L273 VanDerWaalsContact C-CD1 3.47Å
98M89.6Confident83.8Confident52 Ų5223.3 Ų23.326%0.25613%0.126SC..Hα-helixtrans-65.4-41.2176.762163.425.600112V94 P95 G96 G102 V266 L273V94-M98 VanDerWaalsContact O-CG 3.31Å; V94-M98 WeakPolarHBondContact O-CG 3.43Å; V94-M98 PolarHBondContact O-N 2.78Å; P95-M98 WeakPolarHBondContact O-CG 3.48Å; G96-M98 PolarHBondContact O-N 2.92Å; M98-G102 WeakPolarHBondContact O-CA 3.36Å; M98-G102 PolarHBondContact O-N 3.29Å; M98-V266 HydrophobicContact CB-CG1 4.21Å; M98-V266 HydrophobicContact CG-CG1 4.25Å; M98-V266 HydrophobicContact SD-CG1 4.2Å; M98-L273 HydrophobicContact CB-CD1 4.44Å
99A89.3Confident83.6Confident51 Ų5133.5 Ų33.542%0.42116%0.164SC..Hα-helixtrans-68.8-46.6-178.400000110.6P95 G96 G103P95-A99 PolarHBondContact O-N 3.47Å; G96-A99 PolarHBondContact O-N 3.38Å; A99-G103 PolarHBondContact O-N 3.29Å
100I88.5Confident83.4Confident10 Ų1037 Ų375%0.05119%0.186CC..Hα-helixtrans-67.5-48.2-179.3-64.2171.1000110.7G96 G103 M104 V120 N121 F124G96-I100 WeakPolarHBondContact O-CB 3.26Å; G96-I100 VanDerWaalsContact O-CG1 3.24Å; G96-I100 WeakPolarHBondContact O-CG1 3.36Å; G96-I100 PolarHBondContact O-N 2.71Å; I100-G103 PolarHBondContact O-N 3.41Å; I100-M104 HydrophobicContact CG2-CE 4.03Å; I100-M104 HydrophobicContact CG2-SD 4.49Å; I100-M104 WeakPolarHBondContact O-CB 3.36Å; I100-M104 WeakPolarHBondContact O-CG 3.42Å; I100-M104 PolarHBondContact O-N 2.92Å; I100-V120 HydrophobicContact CD1-CG1 4.13Å; I100-V120 HydrophobicContact CG1-CG1 3.94Å; I100-N121 HydrophobicContact CG2-CB 3.58Å; I100-F124 HydrophobicContact CD1-CB 3.49Å; I100-F124 VanDerWaalsContact CD1-CB 3.49Å; I100-F124 HydrophobicContact CD1-CD1 3.94Å; I100-F124 HydrophobicContact CD1-CD2 4.05Å; I100-F124 HydrophobicContact CD1-CG 3.54Å
101T86.4Confident83.6Confident11 Ų1140 Ų407%0.06721%0.205CC..Hα-helixtrans-69.2-40.6-179.4-57.30000111.7G97 G103 M104 L105 M238 V269G97-T101 WeakPolarHBondContact O-CB 3.35Å; G97-T101 PolarHBondContact O-N 3.44Å; G97-T101 PolarHBondContact O-OG1 2.89Å; T101-G103 VanDerWaalsContact C-N 3.3Å; T101-G103 PolarHBondContact O-N 3.44Å; T101-M104 CarbonylContact O-C 3.48Å; T101-M104 PolarHBondContact O-N 3.26Å; T101-L105 HydrophobicContact CG2-CD1 4.12Å; T101-L105 HydrophobicContact CG2-CG 4.42Å; T101-L105 WeakPolarHBondContact O-CG 3.14Å; T101-L105 PolarHBondContact O-N 3.12Å; T101-M238 HydrophobicContact CG2-CE 3.65Å; T101-M238 HydrophobicContact CG2-CG 3.82Å; T101-M238 WeakPolarHBondContact OG1-CE 3.25Å; T101-V269 HydrophobicContact CG2-CB 4.49Å; T101-V269 HydrophobicContact CG2-CG1 3.77Å; T101-V269 HydrophobicContact CG2-CG2 3.86Å
102G86.1Confident83.8Confident1 Ų144.6 Ų44.61%0.0124%0.235CC..Hα-helixtrans-61.8-40.2173.300000111.9M98 L105 Q106M98-G102 WeakPolarHBondContact O-CA 3.36Å; M98-G102 PolarHBondContact O-N 3.29Å; G102-L105 PolarHBondContact O-N 2.86Å; G102-Q106 WeakPolarHBondContact O-CB 3.37Å; G102-Q106 PolarHBondContact O-N 3.39Å
103G85.1Confident83.8Confident3 Ų342.9 Ų42.93%0.03123%0.231CC..Hα-helixtrans-60.3-45.5170.900000113.1A99 I100 T101 L105 Q106 F107A99-G103 PolarHBondContact O-N 3.29Å; I100-G103 PolarHBondContact O-N 3.41Å; T101-G103 VanDerWaalsContact C-N 3.3Å; T101-G103 PolarHBondContact O-N 3.44Å; G103-L105 PolarHBondContact O-N 3.33Å; G103-Q106 PolarHBondContact O-N 3.1Å; G103-F107 PolarHBondContact O-N 3.49Å
104M84.9Confident83.9Confident0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-66.7-16.5174.3-77-170.8-55.800114.5I100 T101 Y108 W117 N121 P178 V182 M238I100-M104 HydrophobicContact CG2-CE 4.03Å; I100-M104 HydrophobicContact CG2-SD 4.49Å; I100-M104 WeakPolarHBondContact O-CB 3.36Å; I100-M104 WeakPolarHBondContact O-CG 3.42Å; I100-M104 PolarHBondContact O-N 2.92Å; T101-M104 CarbonylContact O-C 3.48Å; T101-M104 PolarHBondContact O-N 3.26Å; M104-Y108 HydrophobicContact CB-CD2 4.07Å; M104-Y108 HydrophobicContact CB-CE2 4.44Å; M104-Y108 HydrophobicContact CG-CD2 4.24Å; M104-Y108 HydrophobicContact CG-CE2 4.27Å; M104-Y108 WeakPolarHBondContact O-CB 3.48Å; M104-Y108 VanDerWaalsContact O-CD2 3.26Å; M104-Y108 WeakPolarHBondContact O-CD2 3.42Å; M104-Y108 VanDerWaalsContact O-CG 3.32Å; M104-W117 HydrophobicContact CG-CB 3.57Å; M104-W117 HydrophobicContact CG-CG 4.25Å; M104-N121 HydrophobicContact SD-CB 4.23Å; M104-P178 HydrophobicContact CB-CB 4.44Å; M104-V182 HydrophobicContact CE-CG2 4.21Å; M104-V182 HydrophobicContact SD-CG2 4.34Å; M104-M238 HydrophobicContact CE-CE 3.57Å
105L81Confident84Confident34 Ų3444.7 Ų44.718%0.17824%0.243CC..Hα-helixtrans-95.5-33.9175-70.1174.8000111.1T101 G102 G103 L241 P242 Q265 V269T101-L105 HydrophobicContact CG2-CD1 4.12Å; T101-L105 HydrophobicContact CG2-CG 4.42Å; T101-L105 WeakPolarHBondContact O-CG 3.14Å; T101-L105 PolarHBondContact O-N 3.12Å; G102-L105 PolarHBondContact O-N 2.86Å; G103-L105 PolarHBondContact O-N 3.33Å; L105-L241 HydrophobicContact CD1-CD2 3.66Å; L105-L241 HydrophobicContact CD1-CG 4.41Å; L105-P242 HydrophobicContact CD2-CG 4.19Å; L105-Q265 VanDerWaalsContact CB-OE1 3.23Å; L105-V269 HydrophobicContact CD1-CG2 3.88Å
106Q81.7Confident84.2Confident41 Ų4148.3 Ų48.319%0.19226%0.256CS..Hα-helixtrans-80.4-46.9-177.6-175.763.93.800113.1G102 G103G102-Q106 WeakPolarHBondContact O-CB 3.37Å; G102-Q106 PolarHBondContact O-N 3.39Å; G103-Q106 PolarHBondContact O-N 3.1Å
107F80.3Confident84.3Confident120 Ų12050.2 Ų50.253%0.52626%0.261SS..SBendtrans-102.43.6-167.8-59-64.8000114.1G103 R109 A113 W117G103-F107 PolarHBondContact O-N 3.49Å; F107-R109 PolarHBondContact O-N 2.89Å; F107-A113 WeakPolarHBondContact O-CB 3.41Å; F107-W117 AromaticContact CD2-CE2 3.95Å; F107-W117 AromaticContact CD2-CZ2 3.73Å; F107-W117 HydrophobicContact CD2-CZ2 3.73Å; F107-W117 AromaticContact CD2-NE1 3.71Å; F107-W117 HydrophobicContact CE2-CZ2 4.2Å; F107-W117 AromaticContact CG-NE1 3.99Å
108Y74.8Confident84.4Confident19 Ų1949.6 Ų49.68%0.07526%0.255CS..THydrogen-bonded Turntrans-80.547.2-172.6-147.4-87.7000113M104 V114 Q118 A159 N163 V177 P178M104-Y108 HydrophobicContact CB-CD2 4.07Å; M104-Y108 HydrophobicContact CB-CE2 4.44Å; M104-Y108 HydrophobicContact CG-CD2 4.24Å; M104-Y108 HydrophobicContact CG-CE2 4.27Å; M104-Y108 WeakPolarHBondContact O-CB 3.48Å; M104-Y108 VanDerWaalsContact O-CD2 3.26Å; M104-Y108 WeakPolarHBondContact O-CD2 3.42Å; M104-Y108 VanDerWaalsContact O-CG 3.32Å; Y108-V114 HydrophobicContact CD1-CG2 3.57Å; Y108-V114 HydrophobicContact CD2-CG2 4.15Å; Y108-V114 HydrophobicContact CE1-CB 4.35Å; Y108-V114 HydrophobicContact CE1-CG1 4.02Å; Y108-V114 HydrophobicContact CE1-CG2 3.59Å; Y108-V114 HydrophobicContact CE2-CB 4.36Å; Y108-V114 HydrophobicContact CE2-CG1 4.16Å; Y108-V114 HydrophobicContact CE2-CG2 4.18Å; Y108-V114 HydrophobicContact CG-CG2 3.86Å; Y108-Q118 HydrophobicContact CE2-CG 4.38Å; Y108-Q118 PolarHBondContact OH-NE2 3.47Å; Y108-A159 WeakPolarHBondContact OH-CB 3.32Å; Y108-N163 WeakPolarHBondContact CE1-ND2 3.46Å; Y108-V177 HydrophobicContact CE1-CB 4.13Å; Y108-V177 HydrophobicContact CE1-CG1 3.81Å; Y108-P178 HydrophobicContact CD1-CG 3.71Å; Y108-P178 HydrophobicContact CD2-CB 4.49Å; Y108-P178 HydrophobicContact CD2-CG 3.96Å; Y108-P178 HydrophobicContact CE1-CG 3.75Å; Y108-P178 HydrophobicContact CE2-CB 4.2Å; Y108-P178 HydrophobicContact CE2-CG 4.01Å; Y108-P178 HydrophobicContact CG-CG 3.82Å
109R71.8Confident84.4Confident215 Ų21553.2 Ų53.281%0.81127%0.266SS*.THydrogen-bonded Turntrans-105.9-25.9-177.9-61.9-173-176.7-176.20.4112.7F107F107-R109 PolarHBondContact O-N 2.89Å
110T79.7Confident84.5Confident80 Ų8052.4 Ų52.449%0.49126%0.256SS..SBendtrans-120.4147.1-17766.60000110.5P112 A113 V114T110-P112 VanDerWaalsContact C-N 3.35Å; T110-A113 PolarHBondContact O-N 3.34Å; T110-A113 VanDerWaalsContact O-N 3.11Å; T110-A113 WeakPolarHBondContact OG1-CB 3.46Å; T110-A113 PolarHBondContact OG1-N 3.3Å; T110-V114 VanDerWaalsContact O-CG2 3.23Å; T110-V114 WeakPolarHBondContact O-CG2 3.37Å; T110-V114 PolarHBondContact O-N 3.1Å
111V81.8Confident84.5Confident78 Ų7852.5 Ų52.547%0.47326%0.257SS..Hα-helixtrans-55.5-42.7178.7174.90000112.4A113 V114 V115 V160V111-A113 PolarHBondContact O-N 3.15Å; V111-V114 WeakPolarHBondContact O-CB 3.4Å; V111-V114 PolarHBondContact O-N 3.21Å; V111-V115 HydrophobicContact CG1-CG2 4.29Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.43Å; V111-V115 PolarHBondContact O-N 2.86Å; V111-V160 HydrophobicContact CG1-CG2 4.14Å
112P85.9Confident84.6Confident97 Ų9752.2 Ų52.263%0.6325%0.254SS*.Hα-helixtrans-60.7-41.1175.6-25.536000113.4T110 V115 F116T110-P112 VanDerWaalsContact C-N 3.35Å; P112-V115 PolarHBondContact O-N 2.91Å; P112-F116 WeakPolarHBondContact O-CB 3.33Å; P112-F116 PolarHBondContact O-N 3.21Å
113A85.3Confident84.7Confident18 Ų1854 Ų5415%0.14927%0.267CS..Hα-helixtrans-68.1-38.7177.500000111.7F107 T110 V111 V115 F116 W117F107-A113 WeakPolarHBondContact O-CB 3.41Å; T110-A113 PolarHBondContact O-N 3.34Å; T110-A113 VanDerWaalsContact O-N 3.11Å; T110-A113 WeakPolarHBondContact OG1-CB 3.46Å; T110-A113 PolarHBondContact OG1-N 3.3Å; V111-A113 PolarHBondContact O-N 3.15Å; A113-V115 VanDerWaalsContact C-N 3.34Å; A113-F116 PolarHBondContact O-N 2.88Å; A113-W117 WeakPolarHBondContact O-CB 3.29Å; A113-W117 PolarHBondContact O-N 3.48Å
114V84.1Confident84.9Confident1 Ų154.8 Ų54.81%0.00627%0.269CS..Hα-helixtrans-58.1-47.6173.1168.60000110.8Y108 T110 V111 Q118 A159 V160 N163Y108-V114 HydrophobicContact CD1-CG2 3.57Å; Y108-V114 HydrophobicContact CD2-CG2 4.15Å; Y108-V114 HydrophobicContact CE1-CB 4.35Å; Y108-V114 HydrophobicContact CE1-CG1 4.02Å; Y108-V114 HydrophobicContact CE1-CG2 3.59Å; Y108-V114 HydrophobicContact CE2-CB 4.36Å; Y108-V114 HydrophobicContact CE2-CG1 4.16Å; Y108-V114 HydrophobicContact CE2-CG2 4.18Å; Y108-V114 HydrophobicContact CG-CG2 3.86Å; T110-V114 VanDerWaalsContact O-CG2 3.23Å; T110-V114 WeakPolarHBondContact O-CG2 3.37Å; T110-V114 PolarHBondContact O-N 3.1Å; V111-V114 WeakPolarHBondContact O-CB 3.4Å; V111-V114 PolarHBondContact O-N 3.21Å; V114-Q118 WeakPolarHBondContact O-CB 3.4Å; V114-Q118 WeakPolarHBondContact O-CG 3.08Å; V114-Q118 PolarHBondContact O-N 3.43Å; V114-A159 HydrophobicContact CG1-CB 3.54Å; V114-V160 HydrophobicContact CG1-CG2 4.49Å; V114-N163 WeakPolarHBondContact CG2-ND2 3.39Å
115V87.5Confident84.9Confident58 Ų5855.9 Ų55.935%0.35228%0.275SS..Hα-helixtrans-62-49.4178.8172.40000110.6V111 P112 A113 Q118 W119 L156V111-V115 HydrophobicContact CG1-CG2 4.29Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.43Å; V111-V115 PolarHBondContact O-N 2.86Å; P112-V115 PolarHBondContact O-N 2.91Å; A113-V115 VanDerWaalsContact C-N 3.34Å; V115-Q118 PolarHBondContact O-N 2.99Å; V115-W119 VanDerWaalsContact O-CB 3.3Å; V115-W119 WeakPolarHBondContact O-CB 3.48Å; V115-W119 PolarHBondContact O-N 2.94Å; V115-L156 HydrophobicContact CB-CD2 4.06Å; V115-L156 HydrophobicContact CG1-CD1 4.41Å; V115-L156 HydrophobicContact CG1-CD2 4.09Å; V115-L156 HydrophobicContact CG2-CD2 4.01Å
116F90.6Very high85Confident107 Ų10755 Ų5547%0.46927%0.273SS..Hα-helixtrans-57.3-53.2179.2175.3-100000112P112 A113 Q118 W119 V120P112-F116 WeakPolarHBondContact O-CB 3.33Å; P112-F116 PolarHBondContact O-N 3.21Å; A113-F116 PolarHBondContact O-N 2.88Å; F116-Q118 PolarHBondContact O-N 3.42Å; F116-W119 HydrophobicContact CD2-CE3 4.35Å; F116-W119 HydrophobicContact CE2-CE3 4.44Å; F116-W119 HydrophobicContact CE2-CZ3 4.25Å; F116-W119 WeakPolarHBondContact O-CB 3.46Å; F116-W119 PolarHBondContact O-N 2.91Å; F116-V120 HydrophobicContact CD1-CG2 4.34Å; F116-V120 HydrophobicContact CD2-CG2 4.45Å; F116-V120 HydrophobicContact CE1-CG2 3.93Å; F116-V120 HydrophobicContact CE2-CG2 4.06Å; F116-V120 HydrophobicContact CZ-CG2 3.78Å; F116-V120 WeakPolarHBondContact O-CG2 3.41Å; F116-V120 PolarHBondContact O-N 3.17Å
117W89.3Confident85.1Confident46 Ų4655.6 Ų55.617%0.17428%0.277CS..Hα-helixtrans-70.1-32.5-175.7-76.2110.6000113.4M104 F107 A113 N121M104-W117 HydrophobicContact CG-CB 3.57Å; M104-W117 HydrophobicContact CG-CG 4.25Å; F107-W117 AromaticContact CD2-CE2 3.95Å; F107-W117 AromaticContact CD2-CZ2 3.73Å; F107-W117 HydrophobicContact CD2-CZ2 3.73Å; F107-W117 AromaticContact CD2-NE1 3.71Å; F107-W117 HydrophobicContact CE2-CZ2 4.2Å; F107-W117 AromaticContact CG-NE1 3.99Å; A113-W117 WeakPolarHBondContact O-CB 3.29Å; A113-W117 PolarHBondContact O-N 3.48Å; W117-N121 VanDerWaalsContact O-CB 3.31Å; W117-N121 WeakPolarHBondContact O-CB 3.48Å; W117-N121 PolarHBondContact O-N 2.83Å
118Q88.8Confident85.1Confident0 Ų050 Ų500%025%0.253CS..Hα-helixtrans-68.5-40.1172.4-72.8-62.75.800111.8Y108 V114 V115 F116 N121 Q122 A155 L156 A159Y108-Q118 HydrophobicContact CE2-CG 4.38Å; Y108-Q118 PolarHBondContact OH-NE2 3.47Å; V114-Q118 WeakPolarHBondContact O-CB 3.4Å; V114-Q118 WeakPolarHBondContact O-CG 3.08Å; V114-Q118 PolarHBondContact O-N 3.43Å; V115-Q118 PolarHBondContact O-N 2.99Å; F116-Q118 PolarHBondContact O-N 3.42Å; Q118-N121 PolarHBondContact O-N 3.18Å; Q118-Q122 WeakPolarHBondContact O-CG 3.2Å; Q118-Q122 PolarHBondContact O-N 3.03Å; Q118-A155 HydrophobicContact CB-CB 4.41Å; Q118-A155 HydrophobicContact CG-CB 4.49Å; Q118-L156 HydrophobicContact CB-CD2 3.73Å; Q118-L156 HydrophobicContact CG-CD2 4.39Å; Q118-A159 HydrophobicContact CG-CB 4.26Å
119W89.8Confident85.3Confident127 Ų12750.8 Ų50.848%0.48126%0.258SS..Hα-helixtrans-61.2-45.9173.7170.976.2000112V115 F116 N121 Q122 S123 Y148V115-W119 VanDerWaalsContact O-CB 3.3Å; V115-W119 WeakPolarHBondContact O-CB 3.48Å; V115-W119 PolarHBondContact O-N 2.94Å; F116-W119 HydrophobicContact CD2-CE3 4.35Å; F116-W119 HydrophobicContact CE2-CE3 4.44Å; F116-W119 HydrophobicContact CE2-CZ3 4.25Å; F116-W119 WeakPolarHBondContact O-CB 3.46Å; F116-W119 PolarHBondContact O-N 2.91Å; W119-N121 VanDerWaalsContact C-N 3.34Å; W119-N121 PolarHBondContact O-N 3.27Å; W119-Q122 PolarHBondContact O-N 3.02Å; W119-S123 VanDerWaalsContact O-CB 3.31Å; W119-S123 WeakPolarHBondContact O-CB 2.81Å; W119-S123 PolarHBondContact O-N 3.01Å; W119-S123 PolarHBondContact O-OG 3.49Å; W119-Y148 PolarHBondContact NE1-OH 2.86Å
120V90.9Very high85.6Confident34 Ų3445.6 Ų45.621%0.20624%0.239CC..Hα-helixtrans-58.8-46.2174.4172.80000110.8I100 F116 S123 F124I100-V120 HydrophobicContact CD1-CG1 4.13Å; I100-V120 HydrophobicContact CG1-CG1 3.94Å; F116-V120 HydrophobicContact CD1-CG2 4.34Å; F116-V120 HydrophobicContact CD2-CG2 4.45Å; F116-V120 HydrophobicContact CE1-CG2 3.93Å; F116-V120 HydrophobicContact CE2-CG2 4.06Å; F116-V120 HydrophobicContact CZ-CG2 3.78Å; F116-V120 WeakPolarHBondContact O-CG2 3.41Å; F116-V120 PolarHBondContact O-N 3.17Å; V120-S123 PolarHBondContact O-N 3.23Å; V120-F124 WeakPolarHBondContact O-CB 3.18Å; V120-F124 PolarHBondContact O-N 3.31Å
121N89.4Confident85.5Confident13 Ų1342.6 Ų42.67%0.0722%0.221CC..Hα-helixtrans-62.1-45.1179.8-174.946000112.4I100 M104 W117 Q118 W119 F124 N125 V182I100-N121 HydrophobicContact CG2-CB 3.58Å; M104-N121 HydrophobicContact SD-CB 4.23Å; W117-N121 VanDerWaalsContact O-CB 3.31Å; W117-N121 WeakPolarHBondContact O-CB 3.48Å; W117-N121 PolarHBondContact O-N 2.83Å; Q118-N121 PolarHBondContact O-N 3.18Å; W119-N121 VanDerWaalsContact C-N 3.34Å; W119-N121 PolarHBondContact O-N 3.27Å; N121-F124 PolarHBondContact O-N 3.46Å; N121-N125 PolarHBondContact O-N 3.06Å; N121-N125 PolarHBondContact O-ND2 3.04Å; N121-N125 PolarHBondContact OD1-ND2 3.24Å; N121-V182 WeakPolarHBondContact ND2-CG2 3.35Å
122Q88.3Confident85.1Confident4 Ų441.4 Ų41.42%0.01921%0.212CC..Hα-helixtrans-70.1-34.6177.7-63.2-47.4-44.800112.3Q118 W119 F124 N125 A126 Y148 T152 A155Q118-Q122 WeakPolarHBondContact O-CG 3.2Å; Q118-Q122 PolarHBondContact O-N 3.03Å; W119-Q122 PolarHBondContact O-N 3.02Å; Q122-F124 VanDerWaalsContact C-N 3.34Å; Q122-N125 PolarHBondContact O-N 3.4Å; Q122-A126 VanDerWaalsContact O-CB 3.31Å; Q122-A126 WeakPolarHBondContact O-CB 3.21Å; Q122-A126 PolarHBondContact O-N 2.83Å; Q122-Y148 HydrophobicContact CB-CD2 4.12Å; Q122-Y148 HydrophobicContact CB-CE2 3.82Å; Q122-T152 VanDerWaalsContact CB-OG1 3.28Å; Q122-T152 WeakPolarHBondContact CB-OG1 3.25Å; Q122-A155 HydrophobicContact CG-CB 4.33Å
123S88.7Confident84.4Confident38 Ų3840.6 Ų40.627%0.26620%0.196SC..Hα-helixtrans-62.4-43.4175-61.60000111.2W119 V120 A126 L127 Y148W119-S123 VanDerWaalsContact O-CB 3.31Å; W119-S123 WeakPolarHBondContact O-CB 2.81Å; W119-S123 PolarHBondContact O-N 3.01Å; W119-S123 PolarHBondContact O-OG 3.49Å; V120-S123 PolarHBondContact O-N 3.23Å; S123-A126 PolarHBondContact O-N 2.86Å; S123-L127 PolarHBondContact O-N 3Å; S123-Y148 PolarHBondContact OG-OH 3.26Å; S123-Y148 VanDerWaalsContact OG-OH 3.07Å
124F88.2Confident83.3Confident21 Ų2143.4 Ų43.49%0.09221%0.209CC..Hα-helixtrans-61.1-49.1174.8-178-101.6000111.7I87 F92 I100 V120 N121 Q122 A126 L127 V128I87-F124 HydrophobicContact CG2-CD2 3.7Å; I87-F124 HydrophobicContact CG2-CE2 3.57Å; F92-F124 AromaticContact CD1-CE2 3.75Å; F92-F124 HydrophobicContact CD1-CE2 3.75Å; F92-F124 HydrophobicContact CD1-CZ 4.11Å; F92-F124 AromaticContact CE1-CE2 3.94Å; F92-F124 HydrophobicContact CE1-CE2 3.94Å; I100-F124 HydrophobicContact CD1-CB 3.49Å; I100-F124 VanDerWaalsContact CD1-CB 3.49Å; I100-F124 HydrophobicContact CD1-CD1 3.94Å; I100-F124 HydrophobicContact CD1-CD2 4.05Å; I100-F124 HydrophobicContact CD1-CG 3.54Å; V120-F124 WeakPolarHBondContact O-CB 3.18Å; V120-F124 PolarHBondContact O-N 3.31Å; N121-F124 PolarHBondContact O-N 3.46Å; Q122-F124 VanDerWaalsContact C-N 3.34Å; F124-A126 VanDerWaalsContact C-N 3.34Å; F124-A126 PolarHBondContact O-N 2.96Å; F124-L127 PolarHBondContact O-N 3Å; F124-V128 HydrophobicContact CD1-CG2 4.3Å; F124-V128 HydrophobicContact CE1-CG2 3.9Å; F124-V128 HydrophobicContact CE2-CG2 4.36Å; F124-V128 HydrophobicContact CZ-CG2 3.93Å; F124-V128 WeakPolarHBondContact O-CG2 3.14Å; F124-V128 PolarHBondContact O-N 3.2Å
125N84.9Confident82.1Confident22 Ų2245.7 Ų45.712%0.11823%0.228CC..Hα-helixtrans-63.5-38.1178.2-75.1-66.4000112.4N121 Q122 V128 N129N121-N125 PolarHBondContact O-N 3.06Å; N121-N125 PolarHBondContact O-ND2 3.04Å; N121-N125 PolarHBondContact OD1-ND2 3.24Å; Q122-N125 PolarHBondContact O-N 3.4Å; N125-V128 PolarHBondContact O-N 3.15Å; N125-N129 VanDerWaalsContact O-CB 3.32Å; N125-N129 WeakPolarHBondContact O-CB 3.25Å; N125-N129 PolarHBondContact O-N 2.92Å; N125-N129 PolarHBondContact O-OD1 3.38Å
126A83.6Confident80.3Confident16 Ų1646.8 Ų46.813%0.13224%0.243CC..Hα-helixtrans-63.6-40.5175.600000111.9Q122 S123 F124 N129 Y130 Y148Q122-A126 VanDerWaalsContact O-CB 3.31Å; Q122-A126 WeakPolarHBondContact O-CB 3.21Å; Q122-A126 PolarHBondContact O-N 2.83Å; S123-A126 PolarHBondContact O-N 2.86Å; F124-A126 VanDerWaalsContact C-N 3.34Å; F124-A126 PolarHBondContact O-N 2.96Å; A126-N129 PolarHBondContact O-N 3.16Å; A126-Y130 WeakPolarHBondContact O-CB 3.43Å; A126-Y130 PolarHBondContact O-N 3.37Å; A126-Y148 HydrophobicContact CB-CD2 3.81Å; A126-Y148 HydrophobicContact CB-CG 4.24Å
127L83.6Confident78.6Confident54 Ų5445.3 Ų45.328%0.28325%0.246SC..Hα-helixtrans-68.3-42.3177.1-17760.7000112.4I87 S123 F124 N129 Y130 T131I87-L127 HydrophobicContact CB-CD2 3.77Å; I87-L127 HydrophobicContact CD1-CD2 4.48Å; I87-L127 HydrophobicContact CG2-CD2 3.61Å; S123-L127 PolarHBondContact O-N 3Å; F124-L127 PolarHBondContact O-N 3Å; L127-N129 VanDerWaalsContact C-N 3.34Å; L127-Y130 PolarHBondContact O-N 3.19Å; L127-T131 WeakPolarHBondContact O-CB 3.32Å; L127-T131 PolarHBondContact O-N 3.39Å; L127-T131 PolarHBondContact O-OG1 3.08Å
128V81Confident77.2Confident3 Ų348.5 Ų48.52%0.01827%0.273CS..Hα-helixtrans-59.7-46.7173171.60000110F124 N125 Y130 T131 N132F124-V128 HydrophobicContact CD1-CG2 4.3Å; F124-V128 HydrophobicContact CE1-CG2 3.9Å; F124-V128 HydrophobicContact CE2-CG2 4.36Å; F124-V128 HydrophobicContact CZ-CG2 3.93Å; F124-V128 WeakPolarHBondContact O-CG2 3.14Å; F124-V128 PolarHBondContact O-N 3.2Å; N125-V128 PolarHBondContact O-N 3.15Å; V128-Y130 PolarHBondContact O-N 3.46Å; V128-T131 PolarHBondContact O-N 3.3Å; V128-N132 PolarHBondContact O-N 3.46Å; V128-N132 PolarHBondContact O-ND2 3.39Å
129N78.8Confident76.2Confident34 Ų3450 Ų5018%0.18228%0.281CS..Hα-helixtrans-63.4-40.9177.8-72.5-6.1000112.6N125 A126 L127 T131 R133 N189 M193N125-N129 VanDerWaalsContact O-CB 3.32Å; N125-N129 WeakPolarHBondContact O-CB 3.25Å; N125-N129 PolarHBondContact O-N 2.92Å; N125-N129 PolarHBondContact O-OD1 3.38Å; A126-N129 PolarHBondContact O-N 3.16Å; L127-N129 VanDerWaalsContact C-N 3.34Å; N129-T131 VanDerWaalsContact C-N 3.32Å; N129-T131 PolarHBondContact O-N 2.9Å; N129-R133 PolarHBondContact O-N 3.16Å; N129-N189 PolarHBondContact ND2-ND2 3.32Å; N129-M193 HydrophobicContact CB-CE 3.84Å
130Y78.2Confident75.5Confident107 Ų10747.2 Ų47.242%0.4228%0.278SS..Hα-helixtrans-63.4-39.3175.6177.9-94.3000111.9A126 L127 V128 R133 I144A126-Y130 WeakPolarHBondContact O-CB 3.43Å; A126-Y130 PolarHBondContact O-N 3.37Å; L127-Y130 PolarHBondContact O-N 3.19Å; V128-Y130 PolarHBondContact O-N 3.46Å; Y130-R133 VanDerWaalsContact CE2-CZ 3.42Å; Y130-R133 VanDerWaalsContact CZ-NH2 3.34Å; Y130-R133 VanDerWaalsContact O-CD 3.25Å; Y130-R133 WeakPolarHBondContact O-CD 3.48Å; Y130-R133 VanDerWaalsContact O-CG 3.24Å; Y130-R133 WeakPolarHBondContact O-CG 3.23Å; Y130-R133 PolarHBondContact O-NE 3.29Å; Y130-R133 PolarHBondContact OH-NH2 3.08Å; Y130-R133 VanDerWaalsContact OH-NH2 3.09Å; Y130-I144 HydrophobicContact CD2-CD1 3.64Å; Y130-I144 HydrophobicContact CE2-CD1 4.44Å
131T76.5Confident74.9Confident16 Ų1650 Ų5010%0.09830%0.296CS..Hα-helixtrans-75.8-31.8-177.5-53.90000112.5H77 M84 L127 V128 N129H77-T131 PolarHBondContact CD2-O 3.45Å; H77-T131 VanDerWaalsContact CD2-O 3.3Å; M84-T131 HydrophobicContact CB-CG2 3.58Å; M84-T131 HydrophobicContact CG-CG2 3.79Å; M84-T131 HydrophobicContact SD-CG2 4.09Å; L127-T131 WeakPolarHBondContact O-CB 3.32Å; L127-T131 PolarHBondContact O-N 3.39Å; L127-T131 PolarHBondContact O-OG1 3.08Å; V128-T131 PolarHBondContact O-N 3.3Å; N129-T131 VanDerWaalsContact C-N 3.32Å; N129-T131 PolarHBondContact O-N 2.9Å
132N73.3Confident74.5Confident54 Ų5455.4 Ų55.429%0.28933%0.325SS..THydrogen-bonded Turntrans-101.217.7-179.5-63.8-89.1000113G88 V128G88-N132 PolarHBondContact O-ND2 3.04Å; V128-N132 PolarHBondContact O-N 3.46Å; V128-N132 PolarHBondContact O-ND2 3.39Å
133R71.1Confident74Confident79 Ų7956.3 Ų56.330%0.29833%0.329SS..  trans-68.4138.3179.669-171170.5173-6.5110.4H77 N129 Y130 A135 I139H77-R133 PolarHBondContact CE1-O 3.31Å; H77-R133 VanDerWaalsContact CE1-O 3.22Å; H77-R133 PolarHBondContact NE2-O 3.19Å; N129-R133 PolarHBondContact O-N 3.16Å; Y130-R133 VanDerWaalsContact CE2-CZ 3.42Å; Y130-R133 VanDerWaalsContact CZ-NH2 3.34Å; Y130-R133 VanDerWaalsContact O-CD 3.25Å; Y130-R133 WeakPolarHBondContact O-CD 3.48Å; Y130-R133 VanDerWaalsContact O-CG 3.24Å; Y130-R133 WeakPolarHBondContact O-CG 3.23Å; Y130-R133 PolarHBondContact O-NE 3.29Å; Y130-R133 PolarHBondContact OH-NH2 3.08Å; Y130-R133 VanDerWaalsContact OH-NH2 3.09Å; R133-A135 PolarHBondContact O-N 3.34Å; R133-I139 HydrophobicContact CB-CD1 4.18Å
134N63.7Low73.7Confident77 Ų7755.3 Ų55.341%0.41232%0.321SS..  trans-62.2125.8175.5-172.8-12.5000110.5D79 A136 S137D79-N134 PolarHBondContact OD2-OD1 3.18Å; N134-A136 VanDerWaalsContact C-N 3.29Å; N134-A136 PolarHBondContact O-N 3.4Å; N134-A136 WeakPolarHBondContact OD1-CB 3.42Å; N134-A136 PolarHBondContact OD1-N 2.86Å; N134-S137 CarbonylContact O-C 3.52Å; N134-S137 PolarHBondContact O-N 2.83Å
135A57.7Low73.6Confident50 Ų5055.7 Ų55.741%0.41333%0.331SS..THydrogen-bonded Turntrans-72.9-25.5178.600000112D79 T80 R133 S137D79-A135 HydrophobicContact CB-CB 3.46Å; D79-A135 VanDerWaalsContact CB-CB 3.46Å; D79-A135 PolarHBondContact OD2-N 3.09Å; T80-A135 HydrophobicContact CG2-CB 3.84Å; R133-A135 PolarHBondContact O-N 3.34Å; A135-S137 VanDerWaalsContact C-N 3.28Å; A135-S137 PolarHBondContact O-N 2.9Å
136A49.2Very low73.7Confident81 Ų8158 Ų5867%0.66935%0.346SS*.THydrogen-bonded Turntrans-78.4-8.6177.100000113.7N134N134-A136 VanDerWaalsContact C-N 3.29Å; N134-A136 PolarHBondContact O-N 3.4Å; N134-A136 WeakPolarHBondContact OD1-CB 3.42Å; N134-A136 PolarHBondContact OD1-N 2.86Å
137S56.7Low73.8Confident75 Ų7557.3 Ų57.352%0.52434%0.34SS..SBendtrans-136.983.5176.9-69.80000109.4N134 A135 I139N134-S137 CarbonylContact O-C 3.52Å; N134-S137 PolarHBondContact O-N 2.83Å; A135-S137 VanDerWaalsContact C-N 3.28Å; A135-S137 PolarHBondContact O-N 2.9Å; S137-I139 PolarHBondContact O-N 3.29Å
138P58.6Low74Confident114 Ų11457.2 Ų57.274%0.7434%0.336SS*.  trans-65.3111.9-169.123.6-32.1000111.3T140P138-T140 PolarHBondContact O-N 3.37Å
139I67.1Low74.4Confident32 Ų3262.3 Ų62.316%0.16436%0.362CS..  trans-75.1120.6169.3-52.4-179.2000107.7R133 S137 Q143 I144 M193R133-I139 HydrophobicContact CB-CD1 4.18Å; S137-I139 PolarHBondContact O-N 3.29Å; I139-Q143 HydrophobicContact CG2-CB 3.9Å; I139-I144 HydrophobicContact CB-CD1 4.39Å; I139-I144 HydrophobicContact CB-CG1 4.37Å; I139-I144 HydrophobicContact CG2-CD1 4.08Å; I139-I144 HydrophobicContact CG2-CG1 3.54Å; I139-M193 HydrophobicContact CD1-CE 3.83Å; I139-M193 HydrophobicContact CG2-CE 4.28Å
140T75.9Confident74.9Confident68 Ų6862.8 Ų62.842%0.41737%0.367SS..  trans-65.4140.9179.7-40.60000109.9P138 N142 Q143 I144P138-T140 PolarHBondContact O-N 3.37Å; T140-N142 HydrophobicContact CG2-CB 4.25Å; T140-N142 PolarHBondContact O-N 3.41Å; T140-N142 VanDerWaalsContact O-N 3.08Å; T140-Q143 WeakPolarHBondContact O-CA 3.39Å; T140-Q143 WeakPolarHBondContact O-CB 3.38Å; T140-Q143 PolarHBondContact O-N 3.04Å; T140-I144 PolarHBondContact O-N 3.33Å
141P78.1Confident75.4Confident92 Ų9257.7 Ų57.760%0.59735%0.347SS*.Hα-helixtrans-51.1-35.6174.7-29.335.6000113.6Q143 I144 G145P141-Q143 VanDerWaalsContact C-N 3.33Å; P141-Q143 PolarHBondContact O-N 3.06Å; P141-I144 PolarHBondContact O-N 3.15Å; P141-G145 PolarHBondContact O-N 3.49Å
142N80.4Confident76Confident126 Ų12657.6 Ų57.667%0.67435%0.346SS*.Hα-helixtrans-60.6-38.9174.2-69.1-8.5000112.7T140 G145 V146T140-N142 HydrophobicContact CG2-CB 4.25Å; T140-N142 PolarHBondContact O-N 3.41Å; T140-N142 VanDerWaalsContact O-N 3.08Å; N142-G145 PolarHBondContact O-N 2.97Å; N142-V146 WeakPolarHBondContact O-CB 3.22Å; N142-V146 VanDerWaalsContact O-CG2 3.26Å; N142-V146 WeakPolarHBondContact O-CG2 3.24Å; N142-V146 PolarHBondContact O-N 2.96Å
143Q79.4Confident76.8Confident23 Ų2358.5 Ų58.511%0.10736%0.357CS..Hα-helixtrans-67.5-41.3178.2-63.3179.5-21.400111.1I139 T140 P141 G145 V146 A147I139-Q143 HydrophobicContact CG2-CB 3.9Å; T140-Q143 WeakPolarHBondContact O-CA 3.39Å; T140-Q143 WeakPolarHBondContact O-CB 3.38Å; T140-Q143 PolarHBondContact O-N 3.04Å; P141-Q143 VanDerWaalsContact C-N 3.33Å; P141-Q143 PolarHBondContact O-N 3.06Å; Q143-G145 VanDerWaalsContact C-N 3.35Å; Q143-V146 PolarHBondContact O-N 3.21Å; Q143-A147 VanDerWaalsContact O-CB 3.24Å; Q143-A147 WeakPolarHBondContact O-CB 3.41Å; Q143-A147 PolarHBondContact O-N 3.41Å
144I81.4Confident77.8Confident17 Ų1756.6 Ų56.69%0.08735%0.354CS..Hα-helixtrans-63.6-43.5175.3-56.8-178.4000110.2Y130 I139 T140 P141 A147 Y148 M193Y130-I144 HydrophobicContact CD2-CD1 3.64Å; Y130-I144 HydrophobicContact CE2-CD1 4.44Å; I139-I144 HydrophobicContact CB-CD1 4.39Å; I139-I144 HydrophobicContact CB-CG1 4.37Å; I139-I144 HydrophobicContact CG2-CD1 4.08Å; I139-I144 HydrophobicContact CG2-CG1 3.54Å; T140-I144 PolarHBondContact O-N 3.33Å; P141-I144 PolarHBondContact O-N 3.15Å; I144-A147 PolarHBondContact O-N 3.06Å; I144-Y148 WeakPolarHBondContact O-CB 3.48Å; I144-Y148 PolarHBondContact O-N 3.32Å; I144-M193 HydrophobicContact CB-SD 4.41Å; I144-M193 HydrophobicContact CD1-CE 4.48Å; I144-M193 HydrophobicContact CG1-CE 3.91Å; I144-M193 HydrophobicContact CG1-SD 4.2Å; I144-M193 HydrophobicContact CG2-SD 4.42Å
145G85.5Confident79Confident30 Ų3052.9 Ų52.931%0.30933%0.334SS..Hα-helixtrans-61.1-46.817600000112.7P141 N142 Q143 Y148 L149P141-G145 PolarHBondContact O-N 3.49Å; N142-G145 PolarHBondContact O-N 2.97Å; Q143-G145 VanDerWaalsContact C-N 3.35Å; G145-Y148 PolarHBondContact O-N 2.9Å; G145-L149 WeakPolarHBondContact O-CB 3.48Å; G145-L149 VanDerWaalsContact O-CG 3.3Å; G145-L149 WeakPolarHBondContact O-CG 3.4Å; G145-L149 PolarHBondContact O-N 3.42Å
146V87.2Confident80.6Confident71 Ų7152.5 Ų52.543%0.4333%0.325SS..Hα-helixtrans-64.7-46.1177.1171.20000111.1N142 Q143 Y148 L149 T150 M192N142-V146 WeakPolarHBondContact O-CB 3.22Å; N142-V146 VanDerWaalsContact O-CG2 3.26Å; N142-V146 WeakPolarHBondContact O-CG2 3.24Å; N142-V146 PolarHBondContact O-N 2.96Å; Q143-V146 PolarHBondContact O-N 3.21Å; V146-Y148 VanDerWaalsContact C-N 3.31Å; V146-Y148 PolarHBondContact O-N 3.02Å; V146-L149 PolarHBondContact O-N 3.27Å; V146-T150 HydrophobicContact CG1-CG2 4.24Å; V146-T150 WeakPolarHBondContact O-CB 3.49Å; V146-T150 VanDerWaalsContact O-CG2 3.3Å; V146-T150 WeakPolarHBondContact O-CG2 3.45Å; V146-T150 PolarHBondContact O-N 3.17Å; V146-T150 PolarHBondContact O-OG1 2.85Å; V146-M192 HydrophobicContact CG1-CE 3.56Å
147A85.8Confident82.6Confident0 Ų051.9 Ų51.90%032%0.32CS..Hα-helixtrans-60.1-42.8176.900000111.4Q143 I144 T150 A151 M192 M193Q143-A147 VanDerWaalsContact O-CB 3.24Å; Q143-A147 WeakPolarHBondContact O-CB 3.41Å; Q143-A147 PolarHBondContact O-N 3.41Å; I144-A147 PolarHBondContact O-N 3.06Å; A147-T150 WeakPolarHBondContact CA-OG1 3.15Å; A147-T150 PolarHBondContact O-OG1 3.19Å; A147-A151 WeakPolarHBondContact O-CB 3.42Å; A147-A151 PolarHBondContact O-N 2.63Å; A147-M192 HydrophobicContact CB-CB 3.82Å; A147-M193 HydrophobicContact CB-CG 3.71Å; A147-M193 HydrophobicContact CB-SD 3.53Å; A147-M193 VanDerWaalsContact CB-SD 3.53Å
148Y87.5Confident84.2Confident53 Ų5349.8 Ų49.821%0.20830%0.304CS..Hα-helixtrans-63.8-47.5176.3170.6-115.7000112.9W119 Q122 S123 A126 I144 G145 V146 T152W119-Y148 PolarHBondContact NE1-OH 2.86Å; Q122-Y148 HydrophobicContact CB-CD2 4.12Å; Q122-Y148 HydrophobicContact CB-CE2 3.82Å; S123-Y148 PolarHBondContact OG-OH 3.26Å; S123-Y148 VanDerWaalsContact OG-OH 3.07Å; A126-Y148 HydrophobicContact CB-CD2 3.81Å; A126-Y148 HydrophobicContact CB-CG 4.24Å; I144-Y148 WeakPolarHBondContact O-CB 3.48Å; I144-Y148 PolarHBondContact O-N 3.32Å; G145-Y148 PolarHBondContact O-N 2.9Å; V146-Y148 VanDerWaalsContact C-N 3.31Å; V146-Y148 PolarHBondContact O-N 3.02Å; Y148-T152 VanDerWaalsContact CE2-OG1 3.3Å; Y148-T152 WeakPolarHBondContact CE2-OG1 3.48Å; Y148-T152 VanDerWaalsContact O-CB 3.24Å; Y148-T152 WeakPolarHBondContact O-CB 3.44Å; Y148-T152 PolarHBondContact O-N 3.15Å; Y148-T152 PolarHBondContact O-OG1 3.25Å
149L89.6Confident85.5Confident109 Ų10944.4 Ų44.457%0.57127%0.269SS*.Hα-helixtrans-64.9-41.6179.4-73.1173.9000112G145 V146 S153G145-L149 WeakPolarHBondContact O-CB 3.48Å; G145-L149 VanDerWaalsContact O-CG 3.3Å; G145-L149 WeakPolarHBondContact O-CG 3.4Å; G145-L149 PolarHBondContact O-N 3.42Å; V146-L149 PolarHBondContact O-N 3.27Å; L149-S153 VanDerWaalsContact O-CB 3.25Å; L149-S153 WeakPolarHBondContact O-CB 3.48Å; L149-S153 PolarHBondContact O-N 3.45Å; L149-S153 PolarHBondContact O-OG 2.96Å
150T89.7Confident86.4Confident45 Ų4545.3 Ų45.328%0.27628%0.276SS..Hα-helixtrans-69.7-43.3178.451.70000111.5V146 A147 S153 T154 M192V146-T150 HydrophobicContact CG1-CG2 4.24Å; V146-T150 WeakPolarHBondContact O-CB 3.49Å; V146-T150 VanDerWaalsContact O-CG2 3.3Å; V146-T150 WeakPolarHBondContact O-CG2 3.45Å; V146-T150 PolarHBondContact O-N 3.17Å; V146-T150 PolarHBondContact O-OG1 2.85Å; A147-T150 WeakPolarHBondContact CA-OG1 3.15Å; A147-T150 PolarHBondContact O-OG1 3.19Å; T150-S153 PolarHBondContact O-N 3.02Å; T150-T154 VanDerWaalsContact O-CB 3.29Å; T150-T154 WeakPolarHBondContact O-CB 3.18Å; T150-T154 PolarHBondContact O-N 2.87Å; T150-T154 PolarHBondContact O-OG1 3.28Å; T150-M192 HydrophobicContact CG2-CE 4.49Å
151A88.1Confident86.9Confident0 Ų043.5 Ų43.50%027%0.271CS..Hα-helixtrans-63.2-43.6175.300000111.9A147 T154 A155 N189A147-A151 WeakPolarHBondContact O-CB 3.42Å; A147-A151 PolarHBondContact O-N 2.63Å; A151-T154 PolarHBondContact O-N 2.9Å; A151-A155 WeakPolarHBondContact O-CB 3.34Å; A151-A155 PolarHBondContact O-N 3.47Å; A151-N189 HydrophobicContact CB-CB 3.69Å
152T89.2Confident87.2Confident13 Ų1342.3 Ų42.38%0.0826%0.259CS..Hα-helixtrans-64.2-48.5176.8-55.60000111.1Q122 Y148 T154 A155 L156Q122-T152 VanDerWaalsContact CB-OG1 3.28Å; Q122-T152 WeakPolarHBondContact CB-OG1 3.25Å; Y148-T152 VanDerWaalsContact CE2-OG1 3.3Å; Y148-T152 WeakPolarHBondContact CE2-OG1 3.48Å; Y148-T152 VanDerWaalsContact O-CB 3.24Å; Y148-T152 WeakPolarHBondContact O-CB 3.44Å; Y148-T152 PolarHBondContact O-N 3.15Å; Y148-T152 PolarHBondContact O-OG1 3.25Å; T152-T154 VanDerWaalsContact C-N 3.3Å; T152-T154 PolarHBondContact O-N 3.36Å; T152-A155 PolarHBondContact O-N 2.94Å; T152-L156 HydrophobicContact CG2-CD1 3.92Å; T152-L156 HydrophobicContact CG2-CG 4.29Å; T152-L156 WeakPolarHBondContact O-CB 3.32Å; T152-L156 WeakPolarHBondContact O-CG 3.33Å; T152-L156 PolarHBondContact O-N 3.43Å
153S91.5Very high87.2Confident74 Ų7437.5 Ų37.552%0.51723%0.233SC..Hα-helixtrans-58.5-42.7176-59.40000111.8L149 T150 L156 A157L149-S153 VanDerWaalsContact O-CB 3.25Å; L149-S153 WeakPolarHBondContact O-CB 3.48Å; L149-S153 PolarHBondContact O-N 3.45Å; L149-S153 PolarHBondContact O-OG 2.96Å; T150-S153 PolarHBondContact O-N 3.02Å; S153-L156 PolarHBondContact O-N 3.42Å; S153-A157 VanDerWaalsContact O-CB 3.23Å; S153-A157 WeakPolarHBondContact O-CB 3.43Å; S153-A157 PolarHBondContact O-N 3.38Å
154T91.7Very high87.2Confident38 Ų3843.1 Ų43.123%0.23326%0.258CS..Hα-helixtrans-64.8-45.7177.7-57.80000111.8T150 A151 T152 L156 A157 T158 V188T150-T154 VanDerWaalsContact O-CB 3.29Å; T150-T154 WeakPolarHBondContact O-CB 3.18Å; T150-T154 PolarHBondContact O-N 2.87Å; T150-T154 PolarHBondContact O-OG1 3.28Å; A151-T154 PolarHBondContact O-N 2.9Å; T152-T154 VanDerWaalsContact C-N 3.3Å; T152-T154 PolarHBondContact O-N 3.36Å; T154-L156 VanDerWaalsContact C-N 3.34Å; T154-L156 PolarHBondContact O-N 3.21Å; T154-A157 PolarHBondContact O-N 3.31Å; T154-T158 WeakPolarHBondContact O-CB 3.32Å; T154-T158 PolarHBondContact O-N 3.44Å; T154-T158 PolarHBondContact O-OG1 2.89Å; T154-V188 HydrophobicContact CG2-CG2 3.87Å
155A89.3Confident87Confident0 Ų050.9 Ų50.90%029%0.287CS..Hα-helixtrans-59.6-46.3177.300000110.9Q118 Q122 A151 T152 A159 A185Q118-A155 HydrophobicContact CB-CB 4.41Å; Q118-A155 HydrophobicContact CG-CB 4.49Å; Q122-A155 HydrophobicContact CG-CB 4.33Å; A151-A155 WeakPolarHBondContact O-CB 3.34Å; A151-A155 PolarHBondContact O-N 3.47Å; T152-A155 PolarHBondContact O-N 2.94Å; A155-A159 WeakPolarHBondContact O-CB 3.22Å; A155-A159 PolarHBondContact O-N 3.36Å; A155-A185 HydrophobicContact CB-CB 3.89Å
156L90.1Very high86.5Confident41 Ų4150.3 Ų50.322%0.21528%0.277CS..Hα-helixtrans-67.8-45.9-179.7-67.8179.2000112.1V115 Q118 T152 S153 T154 T158 A159 V160V115-L156 HydrophobicContact CB-CD2 4.06Å; V115-L156 HydrophobicContact CG1-CD1 4.41Å; V115-L156 HydrophobicContact CG1-CD2 4.09Å; V115-L156 HydrophobicContact CG2-CD2 4.01Å; Q118-L156 HydrophobicContact CB-CD2 3.73Å; Q118-L156 HydrophobicContact CG-CD2 4.39Å; T152-L156 HydrophobicContact CG2-CD1 3.92Å; T152-L156 HydrophobicContact CG2-CG 4.29Å; T152-L156 WeakPolarHBondContact O-CB 3.32Å; T152-L156 WeakPolarHBondContact O-CG 3.33Å; T152-L156 PolarHBondContact O-N 3.43Å; S153-L156 PolarHBondContact O-N 3.42Å; T154-L156 VanDerWaalsContact C-N 3.34Å; T154-L156 PolarHBondContact O-N 3.21Å; L156-T158 VanDerWaalsContact C-N 3.32Å; L156-T158 PolarHBondContact O-N 3.33Å; L156-A159 PolarHBondContact O-N 2.97Å; L156-V160 VanDerWaalsContact O-CB 3.32Å; L156-V160 WeakPolarHBondContact O-CB 3.42Å; L156-V160 VanDerWaalsContact O-CG2 3.31Å; L156-V160 WeakPolarHBondContact O-CG2 3.29Å; L156-V160 PolarHBondContact O-N 2.88Å
157A91.8Very high85.7Confident68 Ų6855 Ų5556%0.56229%0.292SS*.Hα-helixtrans-59.3-45.5177.100000111S153 T154 G161S153-A157 VanDerWaalsContact O-CB 3.23Å; S153-A157 WeakPolarHBondContact O-CB 3.43Å; S153-A157 PolarHBondContact O-N 3.38Å; T154-A157 PolarHBondContact O-N 3.31Å; A157-G161 WeakPolarHBondContact O-CA 3.13Å; A157-G161 PolarHBondContact O-N 2.98Å
158T89.4Confident84.9Confident32 Ų3266.8 Ų66.820%0.19634%0.336CS..Hα-helixtrans-64.2-48.2176.9-54.10000111.1T154 L156 L162 A180 A181T154-T158 WeakPolarHBondContact O-CB 3.32Å; T154-T158 PolarHBondContact O-N 3.44Å; T154-T158 PolarHBondContact O-OG1 2.89Å; L156-T158 VanDerWaalsContact C-N 3.32Å; L156-T158 PolarHBondContact O-N 3.33Å; T158-L162 HydrophobicContact CG2-CD1 3.71Å; T158-L162 HydrophobicContact CG2-CG 4.34Å; T158-L162 VanDerWaalsContact O-CB 3.24Å; T158-L162 WeakPolarHBondContact O-CB 3.37Å; T158-L162 VanDerWaalsContact O-CG 3.24Å; T158-L162 WeakPolarHBondContact O-CG 3.2Å; T158-L162 PolarHBondContact O-N 3.23Å; T158-A180 HydrophobicContact CG2-CB 4.45Å; T158-A181 HydrophobicContact CG2-CB 4.22Å
159A86.3Confident84.3Confident0 Ų066 Ų660%034%0.342CS..Hα-helixtrans-64.7-48.4-177.100000113Y108 V114 Q118 A155 L156 N163 V177 A181Y108-A159 WeakPolarHBondContact OH-CB 3.32Å; V114-A159 HydrophobicContact CG1-CB 3.54Å; Q118-A159 HydrophobicContact CG-CB 4.26Å; A155-A159 WeakPolarHBondContact O-CB 3.22Å; A155-A159 PolarHBondContact O-N 3.36Å; L156-A159 PolarHBondContact O-N 2.97Å; A159-N163 WeakPolarHBondContact O-CB 3.42Å; A159-N163 VanDerWaalsContact O-CG 3.29Å; A159-N163 PolarHBondContact O-N 3.45Å; A159-N163 PolarHBondContact O-ND2 3.19Å; A159-V177 HydrophobicContact CB-CG1 4.44Å; A159-V177 WeakPolarHBondContact O-CG1 3.46Å; A159-A181 HydrophobicContact CB-CB 3.82Å
160V86.1Confident83.6Confident52 Ų5264.9 Ų64.932%0.31534%0.341SS..Hα-helixtrans-71.5-42.5-179.1176.50000110.2V111 V114 L156 N163 F164V111-V160 HydrophobicContact CG1-CG2 4.14Å; V114-V160 HydrophobicContact CG1-CG2 4.49Å; L156-V160 VanDerWaalsContact O-CB 3.32Å; L156-V160 WeakPolarHBondContact O-CB 3.42Å; L156-V160 VanDerWaalsContact O-CG2 3.31Å; L156-V160 WeakPolarHBondContact O-CG2 3.29Å; L156-V160 PolarHBondContact O-N 2.88Å; V160-N163 PolarHBondContact O-N 2.92Å; V160-F164 PolarHBondContact O-N 2.99Å
161G86.6Confident82.8Confident30 Ų3067.8 Ų67.831%0.30936%0.36SS..Hα-helixtrans-57.9-54.7176.200000111.4A157 N163 F164 Y165A157-G161 WeakPolarHBondContact O-CA 3.13Å; A157-G161 PolarHBondContact O-N 2.98Å; G161-N163 PolarHBondContact O-N 3.34Å; G161-F164 WeakPolarHBondContact O-CB 3.43Å; G161-F164 PolarHBondContact O-N 3.47Å; G161-Y165 WeakPolarHBondContact O-CD2 3.36Å; G161-Y165 PolarHBondContact O-N 3.42Å
162L84.8Confident82.1Confident66 Ų6670.2 Ų70.235%0.34637%0.373SS..Hα-helixtrans-64-38.7178.3-69.2175.5000112.3T158 F164 Y165 T166 V177 A180T158-L162 HydrophobicContact CG2-CD1 3.71Å; T158-L162 HydrophobicContact CG2-CG 4.34Å; T158-L162 VanDerWaalsContact O-CB 3.24Å; T158-L162 WeakPolarHBondContact O-CB 3.37Å; T158-L162 VanDerWaalsContact O-CG 3.24Å; T158-L162 WeakPolarHBondContact O-CG 3.2Å; T158-L162 PolarHBondContact O-N 3.23Å; L162-F164 VanDerWaalsContact C-N 3.25Å; L162-F164 PolarHBondContact O-N 3.02Å; L162-Y165 PolarHBondContact O-N 3.48Å; L162-Y165 VanDerWaalsContact O-N 3.15Å; L162-T166 WeakPolarHBondContact O-CB 3.45Å; L162-T166 WeakPolarHBondContact O-CG2 3.48Å; L162-T166 PolarHBondContact O-N 2.73Å; L162-T166 PolarHBondContact O-OG1 2.65Å; L162-V177 HydrophobicContact CB-CB 4.49Å; L162-V177 HydrophobicContact CB-CG1 3.88Å; L162-V177 HydrophobicContact CB-CG2 3.93Å; L162-A180 HydrophobicContact CD1-CB 3.49Å; L162-A180 VanDerWaalsContact CD1-CB 3.49Å
163N79.4Confident81.5Confident25 Ų2572.5 Ų72.513%0.13439%0.386CS..Hα-helixtrans-60.7-33.8175.8-90.2-49.2000113.1Y108 V114 A159 V160 G161 T166Y108-N163 WeakPolarHBondContact CE1-ND2 3.46Å; V114-N163 WeakPolarHBondContact CG2-ND2 3.39Å; A159-N163 WeakPolarHBondContact O-CB 3.42Å; A159-N163 VanDerWaalsContact O-CG 3.29Å; A159-N163 PolarHBondContact O-N 3.45Å; A159-N163 PolarHBondContact O-ND2 3.19Å; V160-N163 PolarHBondContact O-N 2.92Å; G161-N163 PolarHBondContact O-N 3.34Å; N163-T166 VanDerWaalsContact CA-OG1 3.32Å; N163-T166 WeakPolarHBondContact CA-OG1 2.96Å; N163-T166 PolarHBondContact O-OG1 3.47Å; N163-T166 VanDerWaalsContact O-OG1 3.1Å
164F79.5Confident80.8Confident142 Ų14270.5 Ų70.562%0.62337%0.374SS*.Hα-helixtrans-67.8-43.9175.1-172.5-96.9000111.3V160 G161 L162V160-F164 PolarHBondContact O-N 2.99Å; G161-F164 WeakPolarHBondContact O-CB 3.43Å; G161-F164 PolarHBondContact O-N 3.47Å; L162-F164 VanDerWaalsContact C-N 3.25Å; L162-F164 PolarHBondContact O-N 3.02Å
165Y78.3Confident80.3Confident180 Ų18072.4 Ų72.471%0.70638%0.377SS*.Hα-helixtrans-68.2-34.7177.1-77.4-73000113.1G161 L162 K167 R168G161-Y165 WeakPolarHBondContact O-CD2 3.36Å; G161-Y165 PolarHBondContact O-N 3.42Å; L162-Y165 PolarHBondContact O-N 3.48Å; L162-Y165 VanDerWaalsContact O-N 3.15Å; Y165-K167 PolarHBondContact O-N 2.81Å; Y165-R168 PolarHBondContact O-N 2.99Å
166T74.9Confident80.1Confident17 Ų1777.4 Ų77.410%0.10440%0.396CS..Hα-helixtrans-72.7-11-177.457.30000113.9L162 N163 R168 A169 V173 A174 V177L162-T166 WeakPolarHBondContact O-CB 3.45Å; L162-T166 WeakPolarHBondContact O-CG2 3.48Å; L162-T166 PolarHBondContact O-N 2.73Å; L162-T166 PolarHBondContact O-OG1 2.65Å; N163-T166 VanDerWaalsContact CA-OG1 3.32Å; N163-T166 WeakPolarHBondContact CA-OG1 2.96Å; N163-T166 PolarHBondContact O-OG1 3.47Å; N163-T166 VanDerWaalsContact O-OG1 3.1Å; T166-R168 PolarHBondContact O-N 3.24Å; T166-R168 VanDerWaalsContact O-N 3.11Å; T166-A169 PolarHBondContact O-N 2.92Å; T166-V173 HydrophobicContact CG2-CB 4.4Å; T166-V173 HydrophobicContact CG2-CG1 3.93Å; T166-A174 HydrophobicContact CG2-CB 4.44Å; T166-V177 HydrophobicContact CG2-CG2 3.8Å
167K71.1Confident79.8Confident170 Ų17075.6 Ų75.674%0.73939%0.387SS*.THydrogen-bonded Turntrans-57.2-23171.3-71.9-179.1176.3-178.70113.1Y165Y165-K167 PolarHBondContact O-N 2.81Å
168R68.8Low79.5Confident247 Ų24772.5 Ų72.593%0.93236%0.361SS*.THydrogen-bonded Turntrans-106.61.8177.8-62.4-177.9179.5168.3-0.4113.3Y165 T166Y165-R168 PolarHBondContact O-N 2.99Å; T166-R168 PolarHBondContact O-N 3.24Å; T166-R168 VanDerWaalsContact O-N 3.11Å
169A73.6Confident79.5Confident38 Ų3872.8 Ų72.831%0.31436%0.36SS..SBendtrans-106.7165.7-173.900000111.8T166 V173T166-A169 PolarHBondContact O-N 2.92Å; A169-V173 HydrophobicContact CB-CB 4.13Å; A169-V173 HydrophobicContact CB-CG1 4.44Å; A169-V173 HydrophobicContact CB-CG2 4.33Å
170P74.9Confident79.7Confident85 Ų8574.1 Ų74.155%0.55237%0.371SS*.  trans-56.4144.5173.5-24.233.7000111.9L172 V173P170-L172 PolarHBondContact O-N 2.85Å; P170-V173 HydrophobicContact CB-CG2 4.44Å; P170-V173 HydrophobicContact CG-CG2 4.49Å; P170-V173 PolarHBondContact O-N 3.01Å
171P73.1Confident79.8Confident105 Ų10571.7 Ų71.768%0.68236%0.356SS*.Hα-helixtrans-54.1-25-178.4-28.634.6000115.1R175P171-R175 WeakPolarHBondContact O-CG 3.34Å; P171-R175 PolarHBondContact O-N 3.35Å
172L73.7Confident79.8Confident52 Ų5270.6 Ų70.627%0.27234%0.343SS..Hα-helixtrans-65-37.9175-84.7172.9000113.3P170 A174 R175 W176 V243P170-L172 PolarHBondContact O-N 2.85Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-A174 PolarHBondContact O-N 3.35Å; L172-R175 WeakPolarHBondContact O-CB 3.32Å; L172-R175 PolarHBondContact O-N 3.21Å; L172-R175 VanDerWaalsContact O-N 3.14Å; L172-W176 PolarHBondContact O-N 3.28Å; L172-V243 HydrophobicContact CD2-CG2 4.45Å
173V76.6Confident80.2Confident60 Ų6068.2 Ų68.236%0.36433%0.333SS..Hα-helixtrans-67.2-38.4-179.4-172.60000110.1T166 A169 P170 R175 W176T166-V173 HydrophobicContact CG2-CB 4.4Å; T166-V173 HydrophobicContact CG2-CG1 3.93Å; A169-V173 HydrophobicContact CB-CB 4.13Å; A169-V173 HydrophobicContact CB-CG1 4.44Å; A169-V173 HydrophobicContact CB-CG2 4.33Å; P170-V173 HydrophobicContact CB-CG2 4.44Å; P170-V173 HydrophobicContact CG-CG2 4.49Å; P170-V173 PolarHBondContact O-N 3.01Å; V173-R175 VanDerWaalsContact C-N 3.26Å; V173-R175 PolarHBondContact O-N 3.18Å; V173-W176 PolarHBondContact O-N 3.4Å; V173-W176 VanDerWaalsContact O-N 3.14Å
174A76.8Confident80.7Confident32 Ų3268.9 Ų68.926%0.26434%0.34SS..Hα-helixtrans-60.9-35.3173.800000112.2T166 L172 W176 V177T166-A174 HydrophobicContact CG2-CB 4.44Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-A174 PolarHBondContact O-N 3.35Å; A174-W176 VanDerWaalsContact C-N 3.26Å; A174-W176 PolarHBondContact O-N 3.44Å; A174-V177 WeakPolarHBondContact O-CB 3.24Å; A174-V177 WeakPolarHBondContact O-CG2 3.43Å; A174-V177 PolarHBondContact O-N 2.79Å
175R81.1Confident81.2Confident79 Ų7962.1 Ų62.130%0.29831%0.31SS..Hα-helixtrans-71.4-16.8177.8-66.3-178.9-178.6-167.1-5.8113.5P171 L172 V173 P178 P242 E249P171-R175 WeakPolarHBondContact O-CG 3.34Å; P171-R175 PolarHBondContact O-N 3.35Å; L172-R175 WeakPolarHBondContact O-CB 3.32Å; L172-R175 PolarHBondContact O-N 3.21Å; L172-R175 VanDerWaalsContact O-N 3.14Å; V173-R175 VanDerWaalsContact C-N 3.26Å; V173-R175 PolarHBondContact O-N 3.18Å; R175-P178 WeakPolarHBondContact O-CD 3.35Å; R175-P242 HydrophobicContact CB-CB 3.86Å; R175-P242 HydrophobicContact CB-CG 4.19Å; R175-P242 HydrophobicContact CG-CB 4.46Å; R175-P242 PolarHBondContact NH1-O 3.2Å; R175-P242 VanDerWaalsContact NH1-O 3.12Å; R175-E249 IonicContact CZ-OE2 2.99Å; R175-E249 IonicContact NH1-OE2 3.75Å; R175-E249 IonicContact NH2-OE1 3.09Å; R175-E249 IonicContact NH2-OE2 3.73Å; R175-E249 PolarHBondContact NH2-OE2 3.03Å
176W84.9Confident81.7Confident104 Ų10454.1 Ų54.139%0.39428%0.28SS..Hα-helixtrans-93.3-7175.2-66.3-24.6000114.2L172 V173 A174 P178 F179 A180 I239L172-W176 PolarHBondContact O-N 3.28Å; V173-W176 PolarHBondContact O-N 3.4Å; V173-W176 VanDerWaalsContact O-N 3.14Å; A174-W176 VanDerWaalsContact C-N 3.26Å; A174-W176 PolarHBondContact O-N 3.44Å; W176-P178 VanDerWaalsContact C-CD 3.46Å; W176-P178 VanDerWaalsContact C-N 3.35Å; W176-F179 WeakPolarHBondContact O-CB 3.44Å; W176-F179 PolarHBondContact O-N 2.88Å; W176-F179 VanDerWaalsContact O-N 3.09Å; W176-A180 PolarHBondContact O-N 2.9Å; W176-I239 HydrophobicContact CZ2-CG2 4.41Å; W176-I239 PolarHBondContact NE1-O 3.33Å
177V84.9Confident82.5Confident3 Ų356.3 Ų56.32%0.01830%0.295CS..Hα-helixtrans-54.9-43.1176.2179.40000112.8Y108 A159 L162 T166 A174 F179 A180 A181Y108-V177 HydrophobicContact CE1-CB 4.13Å; Y108-V177 HydrophobicContact CE1-CG1 3.81Å; A159-V177 HydrophobicContact CB-CG1 4.44Å; A159-V177 WeakPolarHBondContact O-CG1 3.46Å; L162-V177 HydrophobicContact CB-CB 4.49Å; L162-V177 HydrophobicContact CB-CG1 3.88Å; L162-V177 HydrophobicContact CB-CG2 3.93Å; T166-V177 HydrophobicContact CG2-CG2 3.8Å; A174-V177 WeakPolarHBondContact O-CB 3.24Å; A174-V177 WeakPolarHBondContact O-CG2 3.43Å; A174-V177 PolarHBondContact O-N 2.79Å; V177-F179 VanDerWaalsContact C-N 3.3Å; V177-F179 PolarHBondContact O-N 3.23Å; V177-A180 PolarHBondContact O-N 2.82Å; V177-A181 WeakPolarHBondContact O-CB 3.31Å; V177-A181 PolarHBondContact O-N 2.81Å
178P85.1Confident83.4Confident3 Ų350.2 Ų50.22%0.01927%0.271CS..Hα-helixtrans-56.3-43.7175.2-24.133.2000112.5M104 Y108 R175 W176 A181 V182M104-P178 HydrophobicContact CB-CB 4.44Å; Y108-P178 HydrophobicContact CD1-CG 3.71Å; Y108-P178 HydrophobicContact CD2-CB 4.49Å; Y108-P178 HydrophobicContact CD2-CG 3.96Å; Y108-P178 HydrophobicContact CE1-CG 3.75Å; Y108-P178 HydrophobicContact CE2-CB 4.2Å; Y108-P178 HydrophobicContact CE2-CG 4.01Å; Y108-P178 HydrophobicContact CG-CG 3.82Å; R175-P178 WeakPolarHBondContact O-CD 3.35Å; W176-P178 VanDerWaalsContact C-CD 3.46Å; W176-P178 VanDerWaalsContact C-N 3.35Å; P178-A181 PolarHBondContact O-N 3.18Å; P178-V182 WeakPolarHBondContact O-CB 3.39Å; P178-V182 VanDerWaalsContact O-CG2 3.29Å; P178-V182 WeakPolarHBondContact O-CG2 3.31Å; P178-V182 PolarHBondContact O-N 3.15Å
179F89.6Confident84.2Confident39 Ų3938.8 Ų38.817%0.17123%0.229CC..Hα-helixtrans-62.3-49.6178175.5-108.6000111.8W176 V177 A181 V182 A183 I231 A235 M238 I239W176-F179 WeakPolarHBondContact O-CB 3.44Å; W176-F179 PolarHBondContact O-N 2.88Å; W176-F179 VanDerWaalsContact O-N 3.09Å; V177-F179 VanDerWaalsContact C-N 3.3Å; V177-F179 PolarHBondContact O-N 3.23Å; F179-A181 VanDerWaalsContact C-N 3.29Å; F179-A181 PolarHBondContact O-N 3.19Å; F179-V182 PolarHBondContact O-N 3.49Å; F179-A183 HydrophobicContact CZ-CB 4.48Å; F179-A183 WeakPolarHBondContact O-CB 3.39Å; F179-A183 PolarHBondContact O-N 2.86Å; F179-I231 HydrophobicContact CE2-CG2 4.06Å; F179-I231 HydrophobicContact CZ-CG2 3.76Å; F179-A235 VanDerWaalsContact CE2-CA 3.49Å; F179-A235 HydrophobicContact CE2-CB 3.63Å; F179-A235 HydrophobicContact CZ-CB 3.93Å; F179-M238 HydrophobicContact CB-CB 3.74Å; F179-M238 HydrophobicContact CB-SD 4.21Å; F179-M238 HydrophobicContact CD2-CB 4.17Å; F179-M238 HydrophobicContact CD2-SD 4.39Å; F179-M238 HydrophobicContact CG-CB 4.35Å; F179-I239 HydrophobicContact CD1-CD1 3.94Å; F179-I239 HydrophobicContact CD1-CG1 4.02Å; F179-I239 HydrophobicContact CD2-CD1 4.45Å; F179-I239 HydrophobicContact CD2-CG1 4.34Å; F179-I239 HydrophobicContact CE1-CD1 3.73Å; F179-I239 HydrophobicContact CE1-CG1 4.32Å; F179-I239 HydrophobicContact CE2-CD1 4.27Å; F179-I239 HydrophobicContact CG-CD1 4.29Å; F179-I239 HydrophobicContact CG-CG1 4.03Å; F179-I239 HydrophobicContact CZ-CD1 3.9Å
180A90.1Very high84.8Confident28 Ų2837.6 Ų37.623%0.23122%0.217CC..Hα-helixtrans-60.2-40.8-179.500000111.9T158 L162 W176 V177 S184T158-A180 HydrophobicContact CG2-CB 4.45Å; L162-A180 HydrophobicContact CD1-CB 3.49Å; L162-A180 VanDerWaalsContact CD1-CB 3.49Å; W176-A180 PolarHBondContact O-N 2.9Å; V177-A180 PolarHBondContact O-N 2.82Å; A180-S184 WeakPolarHBondContact O-CB 3.28Å; A180-S184 PolarHBondContact O-N 3.28Å; A180-S184 PolarHBondContact O-OG 3.33Å
181A88.7Confident85.4Confident0 Ų035.2 Ų35.20%020%0.202CC..Hα-helixtrans-67.3-42.917700000112.5T158 A159 V177 P178 F179 S184 A185T158-A181 HydrophobicContact CG2-CB 4.22Å; A159-A181 HydrophobicContact CB-CB 3.82Å; V177-A181 WeakPolarHBondContact O-CB 3.31Å; V177-A181 PolarHBondContact O-N 2.81Å; P178-A181 PolarHBondContact O-N 3.18Å; F179-A181 VanDerWaalsContact C-N 3.29Å; F179-A181 PolarHBondContact O-N 3.19Å; A181-S184 PolarHBondContact O-N 2.82Å; A181-A185 WeakPolarHBondContact O-CB 3.36Å; A181-A185 PolarHBondContact O-N 3.42Å
182V87.2Confident86Confident8 Ų832.8 Ų32.85%0.04818%0.182CC..Hα-helixtrans-66.2-41.6175.8172.60000111.5M104 N121 P178 F179 A185 N186 A234 M238M104-V182 HydrophobicContact CE-CG2 4.21Å; M104-V182 HydrophobicContact SD-CG2 4.34Å; N121-V182 WeakPolarHBondContact ND2-CG2 3.35Å; P178-V182 WeakPolarHBondContact O-CB 3.39Å; P178-V182 VanDerWaalsContact O-CG2 3.29Å; P178-V182 WeakPolarHBondContact O-CG2 3.31Å; P178-V182 PolarHBondContact O-N 3.15Å; F179-V182 PolarHBondContact O-N 3.49Å; V182-A185 PolarHBondContact O-N 2.82Å; V182-N186 WeakPolarHBondContact CG1-ND2 3.29Å; V182-N186 PolarHBondContact O-N 2.95Å; V182-N186 PolarHBondContact O-ND2 2.85Å; V182-A234 HydrophobicContact CG1-CB 4.44Å; V182-M238 HydrophobicContact CB-SD 4.41Å; V182-M238 HydrophobicContact CG1-CE 4.49Å; V182-M238 HydrophobicContact CG2-CE 4.11Å; V182-M238 HydrophobicContact CG2-SD 4.33Å
183A91.4Very high86.2Confident15 Ų1531 Ų3112%0.12417%0.172CC..Hα-helixtrans-62.1-47.1176.800000111.4F179 A185 N186 C187 I231F179-A183 HydrophobicContact CZ-CB 4.48Å; F179-A183 WeakPolarHBondContact O-CB 3.39Å; F179-A183 PolarHBondContact O-N 2.86Å; A183-A185 VanDerWaalsContact C-N 3.33Å; A183-A185 PolarHBondContact O-N 3.38Å; A183-N186 PolarHBondContact O-N 3.04Å; A183-C187 PolarHBondContact O-N 3.37Å; A183-C187 PolarHBondContact O-SG 3.28Å; A183-C187 VanDerWaalsContact O-SG 3.32Å; A183-I231 HydrophobicContact CB-CD1 4.22Å; A183-I231 HydrophobicContact CB-CG1 4.08Å; A183-I231 HydrophobicContact CB-CG2 4.25Å
184S91.5Very high86.5Confident39 Ų3929.5 Ų29.527%0.27316%0.16SC..Hα-helixtrans-62-40.4177.7-55.90000111.9A180 A181 C187 V188A180-S184 WeakPolarHBondContact O-CB 3.28Å; A180-S184 PolarHBondContact O-N 3.28Å; A180-S184 PolarHBondContact O-OG 3.33Å; A181-S184 PolarHBondContact O-N 2.82Å; S184-C187 WeakPolarHBondContact O-CB 3.44Å; S184-C187 PolarHBondContact O-N 3.1Å; S184-V188 PolarHBondContact O-N 2.7Å
185A89Confident86.9Confident0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-63.6-41.9175.400000112.4A155 A181 V182 A183 C187 V188 N189A155-A185 HydrophobicContact CB-CB 3.89Å; A181-A185 WeakPolarHBondContact O-CB 3.36Å; A181-A185 PolarHBondContact O-N 3.42Å; V182-A185 PolarHBondContact O-N 2.82Å; A183-A185 VanDerWaalsContact C-N 3.33Å; A183-A185 PolarHBondContact O-N 3.38Å; A185-C187 VanDerWaalsContact C-N 3.32Å; A185-C187 PolarHBondContact O-N 2.59Å; A185-V188 PolarHBondContact O-N 2.85Å; A185-V188 VanDerWaalsContact O-N 3.14Å; A185-N189 VanDerWaalsContact O-CB 3.24Å; A185-N189 WeakPolarHBondContact O-CB 3.5Å; A185-N189 PolarHBondContact O-N 3.12Å
186N89.9Confident86.9Confident13 Ų1330.7 Ų30.77%0.0716%0.164CC..Hα-helixtrans-64.2-36.2176.5-81.4-80.4000112.2V182 A183 V188 I190 R230 I231V182-N186 WeakPolarHBondContact CG1-ND2 3.29Å; V182-N186 PolarHBondContact O-N 2.95Å; V182-N186 PolarHBondContact O-ND2 2.85Å; A183-N186 PolarHBondContact O-N 3.04Å; N186-V188 PolarHBondContact O-N 3.26Å; N186-I190 HydrophobicContact CB-CD1 4.15Å; N186-I190 WeakPolarHBondContact O-CD1 3.46Å; N186-I190 PolarHBondContact O-N 3.21Å; N186-R230 HydrophobicContact CB-CB 4.5Å; N186-I231 HydrophobicContact CB-CG1 4.47Å
187C90.8Very high86.8Confident62 Ų6228.3 Ų28.342%0.41916%0.157SC..Hα-helixtrans-63-22.5174.5-68.10000113.7A183 S184 A185 P191A183-C187 PolarHBondContact O-N 3.37Å; A183-C187 PolarHBondContact O-SG 3.28Å; A183-C187 VanDerWaalsContact O-SG 3.32Å; S184-C187 WeakPolarHBondContact O-CB 3.44Å; S184-C187 PolarHBondContact O-N 3.1Å; A185-C187 VanDerWaalsContact C-N 3.32Å; A185-C187 PolarHBondContact O-N 2.59Å; C187-P191 WeakPolarHBondContact O-CD 3.41Å; C187-P191 VanDerWaalsContact O-CG 3.3Å; C187-P191 WeakPolarHBondContact O-CG 3.29Å
188V89.1Confident86.8Confident42 Ų4230.7 Ų30.726%0.25517%0.169SC..Hα-helixtrans-100.5-48178.1175.90000111.4T154 S184 A185 N186 I190 P191 M192T154-V188 HydrophobicContact CG2-CG2 3.87Å; S184-V188 PolarHBondContact O-N 2.7Å; A185-V188 PolarHBondContact O-N 2.85Å; A185-V188 VanDerWaalsContact O-N 3.14Å; N186-V188 PolarHBondContact O-N 3.26Å; V188-I190 PolarHBondContact O-N 3.27Å; V188-P191 WeakPolarHBondContact O-CD 3.39Å; V188-M192 HydrophobicContact CG1-CG 4.05Å; V188-M192 WeakPolarHBondContact O-CB 3.27Å; V188-M192 WeakPolarHBondContact O-CG 3.43Å; V188-M192 PolarHBondContact O-N 3.42Å; V188-M192 VanDerWaalsContact O-N 3.09Å
189N86.7Confident86.8Confident7 Ų735.4 Ų35.44%0.03719%0.194CC..Hα-helixtrans-57.7-48.8-174.6-171.623.8000112.1N129 A151 A185 M192 M193N129-N189 PolarHBondContact ND2-ND2 3.32Å; A151-N189 HydrophobicContact CB-CB 3.69Å; A185-N189 VanDerWaalsContact O-CB 3.24Å; A185-N189 WeakPolarHBondContact O-CB 3.5Å; A185-N189 PolarHBondContact O-N 3.12Å; N189-M192 PolarHBondContact O-N 2.89Å; N189-M193 WeakPolarHBondContact O-CB 3.29Å; N189-M193 VanDerWaalsContact O-CG 3.22Å; N189-M193 WeakPolarHBondContact O-CG 3.47Å; N189-M193 PolarHBondContact O-N 2.98Å; N189-M193 WeakPolarHBondContact OD1-CG 3.49Å
190I85.2Confident86.6Confident14 Ų1438.5 Ų38.57%0.07221%0.212CC..Hα-helixtrans-67.9-49.6-172.4-59.6159.6000111N186 V188 M192 M193 R194 I223 V226 V227 R230N186-I190 HydrophobicContact CB-CD1 4.15Å; N186-I190 WeakPolarHBondContact O-CD1 3.46Å; N186-I190 PolarHBondContact O-N 3.21Å; V188-I190 PolarHBondContact O-N 3.27Å; I190-M192 VanDerWaalsContact C-N 3.31Å; I190-M192 PolarHBondContact O-N 3.3Å; I190-M193 PolarHBondContact O-N 2.87Å; I190-R194 WeakPolarHBondContact O-CB 3.32Å; I190-R194 PolarHBondContact O-N 2.89Å; I190-I223 HydrophobicContact CG2-CG2 4.2Å; I190-V226 HydrophobicContact CD1-CG1 4.26Å; I190-V226 HydrophobicContact CG2-CB 4.38Å; I190-V226 HydrophobicContact CG2-CG1 3.99Å; I190-V227 HydrophobicContact CB-CG2 3.96Å; I190-V227 HydrophobicContact CD1-CB 4.36Å; I190-V227 HydrophobicContact CD1-CG2 3.82Å; I190-V227 HydrophobicContact CG1-CG2 4.5Å; I190-V227 HydrophobicContact CG2-CG2 4.18Å; I190-R230 HydrophobicContact CD1-CB 4.07Å; I190-R230 HydrophobicContact CD1-CG 3.79Å
191P87.4Confident86.3Confident35 Ų3537.6 Ų37.623%0.22721%0.205CC..Hα-helixtrans-58.7-39.3173.1-27.537.1000113.8C187 V188 R194 Q195 L198 I223C187-P191 WeakPolarHBondContact O-CD 3.41Å; C187-P191 VanDerWaalsContact O-CG 3.3Å; C187-P191 WeakPolarHBondContact O-CG 3.29Å; V188-P191 WeakPolarHBondContact O-CD 3.39Å; P191-R194 CarbonylContact O-C 3.27Å; P191-R194 VanDerWaalsContact O-C 3.27Å; P191-R194 PolarHBondContact O-N 2.99Å; P191-Q195 WeakPolarHBondContact O-CA 3.38Å; P191-Q195 PolarHBondContact O-N 2.95Å; P191-L198 HydrophobicContact CB-CD1 4.06Å; P191-I223 HydrophobicContact CB-CG2 4.35Å; P191-I223 HydrophobicContact CG-CG2 3.89Å
192M85.8Confident86Confident53 Ų5338.4 Ų38.426%0.26121%0.21SC..Hα-helixtrans-67.4-43.5179.7-71.6-62.4-67.300112.2V146 A147 T150 V188 N189 I190 R194 Q195V146-M192 HydrophobicContact CG1-CE 3.56Å; A147-M192 HydrophobicContact CB-CB 3.82Å; T150-M192 HydrophobicContact CG2-CE 4.49Å; V188-M192 HydrophobicContact CG1-CG 4.05Å; V188-M192 WeakPolarHBondContact O-CB 3.27Å; V188-M192 WeakPolarHBondContact O-CG 3.43Å; V188-M192 PolarHBondContact O-N 3.42Å; V188-M192 VanDerWaalsContact O-N 3.09Å; N189-M192 PolarHBondContact O-N 2.89Å; I190-M192 VanDerWaalsContact C-N 3.31Å; I190-M192 PolarHBondContact O-N 3.3Å; M192-R194 PolarHBondContact O-N 2.99Å; M192-Q195 WeakPolarHBondContact O-CB 3.1Å; M192-Q195 WeakPolarHBondContact O-CG 3.05Å; M192-Q195 PolarHBondContact O-N 3.31Å
193M79.4Confident85.9Confident15 Ų1540 Ų407%0.07422%0.223CC..Hα-helixtrans-61.4-33.9174.8-74.1-67.8-5700112N129 I139 I144 A147 N189 I190N129-M193 HydrophobicContact CB-CE 3.84Å; I139-M193 HydrophobicContact CD1-CE 3.83Å; I139-M193 HydrophobicContact CG2-CE 4.28Å; I144-M193 HydrophobicContact CB-SD 4.41Å; I144-M193 HydrophobicContact CD1-CE 4.48Å; I144-M193 HydrophobicContact CG1-CE 3.91Å; I144-M193 HydrophobicContact CG1-SD 4.2Å; I144-M193 HydrophobicContact CG2-SD 4.42Å; A147-M193 HydrophobicContact CB-CG 3.71Å; A147-M193 HydrophobicContact CB-SD 3.53Å; A147-M193 VanDerWaalsContact CB-SD 3.53Å; N189-M193 WeakPolarHBondContact O-CB 3.29Å; N189-M193 VanDerWaalsContact O-CG 3.22Å; N189-M193 WeakPolarHBondContact O-CG 3.47Å; N189-M193 PolarHBondContact O-N 2.98Å; N189-M193 WeakPolarHBondContact OD1-CG 3.49Å; I190-M193 PolarHBondContact O-N 2.87Å
194R81.5Confident85.7Confident28 Ų2839.2 Ų39.211%0.10622%0.217CC..THydrogen-bonded Turntrans-10624.8-177.5-60.4179.167.7176.7-1112.6I190 P191 M192 Q196 E197 L198 I223 K318I190-R194 WeakPolarHBondContact O-CB 3.32Å; I190-R194 PolarHBondContact O-N 2.89Å; P191-R194 CarbonylContact O-C 3.27Å; P191-R194 VanDerWaalsContact O-C 3.27Å; P191-R194 PolarHBondContact O-N 2.99Å; M192-R194 PolarHBondContact O-N 2.99Å; R194-Q196 PolarHBondContact O-N 2.82Å; R194-E197 IonicContact CZ-OE1 3.51Å; R194-E197 IonicContact CZ-OE2 2.72Å; R194-E197 VanDerWaalsContact CZ-OE2 3.26Å; R194-E197 VanDerWaalsContact NE-CD 3.27Å; R194-E197 IonicContact NE-OE1 2.65Å; R194-E197 PolarHBondContact NE-OE1 3.33Å; R194-E197 IonicContact NE-OE2 2.82Å; R194-E197 PolarHBondContact NE-OE2 3.46Å; R194-E197 VanDerWaalsContact NE-OE2 3.09Å; R194-E197 IonicContact NH2-OE1 3.24Å; R194-E197 IonicContact NH2-OE2 2.7Å; R194-E197 PolarHBondContact NH2-OE2 3.15Å; R194-E197 WeakPolarHBondContact O-CB 3.48Å; R194-E197 PolarHBondContact O-N 3.27Å; R194-L198 PolarHBondContact O-N 2.93Å; R194-I223 HydrophobicContact CB-CD1 3.7Å; R194-I223 HydrophobicContact CB-CG1 4.1Å; R194-K318 PolarHBondContact NH1-O 2.88Å; R194-K318 PolarHBondContact NH2-O 3.38Å
195Q84.9Confident85.4Confident56 Ų5638.9 Ų38.926%0.26221%0.213SC..Hα-helixtrans-60.2-32.1-177.166.4177.96.200112.6P191 M192 E197 L198 L199P191-Q195 WeakPolarHBondContact O-CA 3.38Å; P191-Q195 PolarHBondContact O-N 2.95Å; M192-Q195 WeakPolarHBondContact O-CB 3.1Å; M192-Q195 WeakPolarHBondContact O-CG 3.05Å; M192-Q195 PolarHBondContact O-N 3.31Å; Q195-E197 VanDerWaalsContact C-N 3.3Å; Q195-E197 PolarHBondContact O-N 3.39Å; Q195-L198 WeakPolarHBondContact O-CB 3.41Å; Q195-L198 PolarHBondContact O-N 3.41Å; Q195-L199 WeakPolarHBondContact O-CB 3.33Å; Q195-L199 VanDerWaalsContact O-CG 3.29Å; Q195-L199 WeakPolarHBondContact O-CG 3.49Å; Q195-L199 PolarHBondContact O-N 3.5Å
196Q81.9Confident85.2Confident81 Ų8139.3 Ų39.338%0.37922%0.216SC..Hα-helixtrans-66-35.3177.4-68.8-61-34.900111.8R194 L198 L199 N200R194-Q196 PolarHBondContact O-N 2.82Å; Q196-L198 VanDerWaalsContact C-N 3.33Å; Q196-L199 PolarHBondContact O-N 3.34Å; Q196-N200 VanDerWaalsContact O-CB 3.28Å; Q196-N200 WeakPolarHBondContact O-CB 3.3Å; Q196-N200 PolarHBondContact O-N 3.46Å; Q196-N200 PolarHBondContact O-ND2 3.16Å; Q196-N200 PolarHBondContact OE1-ND2 2.98Å
197E82.1Confident84.8Confident54 Ų5445.5 Ų45.525%0.25224%0.244SC..Hα-helixtrans-69.1-34.3174.6-62.1178.8-133.500111.6R194 Q195 G201 I202 A219R194-E197 IonicContact CZ-OE1 3.51Å; R194-E197 IonicContact CZ-OE2 2.72Å; R194-E197 VanDerWaalsContact CZ-OE2 3.26Å; R194-E197 VanDerWaalsContact NE-CD 3.27Å; R194-E197 IonicContact NE-OE1 2.65Å; R194-E197 PolarHBondContact NE-OE1 3.33Å; R194-E197 IonicContact NE-OE2 2.82Å; R194-E197 PolarHBondContact NE-OE2 3.46Å; R194-E197 VanDerWaalsContact NE-OE2 3.09Å; R194-E197 IonicContact NH2-OE1 3.24Å; R194-E197 IonicContact NH2-OE2 2.7Å; R194-E197 PolarHBondContact NH2-OE2 3.15Å; R194-E197 WeakPolarHBondContact O-CB 3.48Å; R194-E197 PolarHBondContact O-N 3.27Å; Q195-E197 VanDerWaalsContact C-N 3.3Å; Q195-E197 PolarHBondContact O-N 3.39Å; E197-G201 CarbonylContact O-C 3.53Å; E197-G201 WeakPolarHBondContact O-CA 3.12Å; E197-G201 PolarHBondContact O-N 3.42Å; E197-I202 HydrophobicContact CB-CG2 3.74Å; E197-I202 HydrophobicContact CG-CG2 3.84Å; E197-I202 VanDerWaalsContact OE2-CG2 3.28Å; E197-I202 WeakPolarHBondContact OE2-CG2 2.96Å; E197-A219 HydrophobicContact CB-CB 4.17Å; E197-A219 WeakPolarHBondContact O-CB 3.3Å
198L85.8Confident84.2Confident53 Ų5349 Ų4928%0.27726%0.259SS..Hα-helixtrans-69.9-37.3174.4-68.1172.6000112.3P191 R194 Q195 Q196 V220 I223P191-L198 HydrophobicContact CB-CD1 4.06Å; R194-L198 PolarHBondContact O-N 2.93Å; Q195-L198 WeakPolarHBondContact O-CB 3.41Å; Q195-L198 PolarHBondContact O-N 3.41Å; Q196-L198 VanDerWaalsContact C-N 3.33Å; L198-V220 HydrophobicContact CD2-CB 4.41Å; L198-V220 HydrophobicContact CD2-CG2 3.58Å; L198-I223 HydrophobicContact CD1-CD1 4.04Å; L198-I223 HydrophobicContact CD2-CD1 3.52Å; L198-I223 HydrophobicContact CG-CD1 3.5Å
199L85.4Confident83.6Confident101 Ų10149.5 Ų49.553%0.52927%0.272SS..Hα-helixtrans-78.9-44.6-178.5-69.2172.7000112.5Q195 Q196 K216Q195-L199 WeakPolarHBondContact O-CB 3.33Å; Q195-L199 VanDerWaalsContact O-CG 3.29Å; Q195-L199 WeakPolarHBondContact O-CG 3.49Å; Q195-L199 PolarHBondContact O-N 3.5Å; Q196-L199 PolarHBondContact O-N 3.34Å; L199-K216 WeakPolarHBondContact O-CE 3.37Å; L199-K216 PolarHBondContact O-NZ 3.41Å
200N84Confident83.4Confident104 Ų10453 Ų5356%0.55629%0.291SS*.Hα-helixtrans-101.2-17.8-172-55.6-33.2000113.2Q196Q196-N200 VanDerWaalsContact O-CB 3.28Å; Q196-N200 WeakPolarHBondContact O-CB 3.3Å; Q196-N200 PolarHBondContact O-N 3.46Å; Q196-N200 PolarHBondContact O-ND2 3.16Å; Q196-N200 PolarHBondContact OE1-ND2 2.98Å
201G83.6Confident83.4Confident9 Ų958.3 Ų58.39%0.09331%0.313CS..  trans84.7162.3-174.400000113.1E197 S215E197-G201 CarbonylContact O-C 3.53Å; E197-G201 WeakPolarHBondContact O-CA 3.12Å; E197-G201 PolarHBondContact O-N 3.42Å; G201-S215 WeakPolarHBondContact CA-O 3.31Å
202I84.3Confident83.2Confident18 Ų1857.5 Ų57.59%0.09231%0.307CS..EExtended strand (participates in β ladder)trans-104.4150.5174.359.3175.7000110.9E197 V204 H214 S215 A218 A219 F316E197-I202 HydrophobicContact CB-CG2 3.74Å; E197-I202 HydrophobicContact CG-CG2 3.84Å; E197-I202 VanDerWaalsContact OE2-CG2 3.28Å; E197-I202 WeakPolarHBondContact OE2-CG2 2.96Å; I202-V204 PolarHBondContact O-N 2.72Å; I202-H214 CarbonylContact O-C 3.52Å; I202-H214 VanDerWaalsContact O-CA 3.24Å; I202-H214 WeakPolarHBondContact O-CA 3.41Å; I202-S215 PolarHBondContact N-O 3.32Å; I202-S215 PolarHBondContact O-N 3.32Å; I202-A218 HydrophobicContact CD1-CB 3.86Å; I202-A218 HydrophobicContact CG1-CB 3.79Å; I202-A219 HydrophobicContact CD1-CB 4.41Å; I202-A219 HydrophobicContact CG1-CB 4.11Å; I202-A219 HydrophobicContact CG2-CB 3.89Å; I202-F316 HydrophobicContact CD1-CB 3.8Å; I202-F316 HydrophobicContact CD1-CD2 3.33Å; I202-F316 HydrophobicContact CD1-CE2 4.12Å; I202-F316 HydrophobicContact CD1-CG 3.8Å; I202-F316 HydrophobicContact CG1-CB 4.41Å
203A85.1Confident83.2Confident40 Ų4055.8 Ų55.833%0.33130%0.303SS..EExtended strand (participates in β ladder)trans-59.8128.7176.100000110.9K211 G213A203-K211 HydrophobicContact CB-CD 4.4Å; A203-G213 WeakPolarHBondContact CA-O 3.41Å
204V86.8Confident83.6Confident0 Ų059.9 Ų59.90%032%0.322CS..EExtended strand (participates in β ladder)trans-109.5139.5171.6-680000109.6I202 L212 G213 A218 L299 V314 Y315 F316I202-V204 PolarHBondContact O-N 2.72Å; V204-L212 HydrophobicContact CG2-CB 4.19Å; V204-L212 PolarHBondContact O-N 3.15Å; V204-G213 WeakPolarHBondContact CG2-O 3.33Å; V204-G213 PolarHBondContact N-O 3.49Å; V204-A218 HydrophobicContact CG1-CB 3.95Å; V204-L299 HydrophobicContact CG2-CD2 3.92Å; V204-V314 HydrophobicContact CB-CB 4.15Å; V204-V314 HydrophobicContact CB-CG2 4.14Å; V204-V314 HydrophobicContact CG1-CG2 4.09Å; V204-Y315 CarbonylContact C-O 3.57Å; V204-Y315 WeakPolarHBondContact CA-O 3.25Å; V204-F316 HydrophobicContact CG1-CB 4.26Å
205T85.8Confident83.9Confident31 Ų3158.6 Ų58.619%0.1932%0.317CS..EExtended strand (participates in β ladder)trans-121160.2179.767.80000111.6N210 V314 Y315T205-N210 CarbonylContact C-O 3.48Å; T205-N210 WeakPolarHBondContact CA-O 3.47Å; T205-N210 WeakPolarHBondContact CB-O 3.42Å; T205-V314 CarbonylContact O-C 3.56Å; T205-V314 WeakPolarHBondContact O-CA 3.35Å; T205-Y315 PolarHBondContact N-O 3.11Å; T205-Y315 PolarHBondContact O-N 3.41Å
206D84.8Confident84.1Confident10 Ų1061 Ų615%0.05333%0.327CS..  trans-77.9-175.5164.971.71.5000111.4N208 G209 N210 L212D206-N208 PolarHBondContact O-N 2.89Å; D206-N208 VanDerWaalsContact OD1-C 3.28Å; D206-N208 WeakPolarHBondContact OD1-CA 3.31Å; D206-N208 WeakPolarHBondContact OD1-CB 3.47Å; D206-N208 PolarHBondContact OD1-N 2.79Å; D206-G209 PolarHBondContact O-N 3.23Å; D206-G209 PolarHBondContact OD1-N 2.89Å; D206-N210 PolarHBondContact N-O 3.09Å; D206-N210 WeakPolarHBondContact OD1-CB 3.47Å; D206-N210 PolarHBondContact OD1-N 3.13Å; D206-N210 WeakPolarHBondContact OD2-CB 3.29Å; D206-N210 PolarHBondContact OD2-ND2 2.82Å; D206-L212 HydrophobicContact CB-CD1 4.01Å; D206-L212 HydrophobicContact CB-CD2 4.28Å; D206-L212 HydrophobicContact CB-CG 4.26Å
207E80.7Confident84.4Confident143 Ų14361.7 Ų61.767%0.66833%0.328SS*.THydrogen-bonded Turntrans-63.7-25.6175.2-68.5-177.2177.300113.2Y315E207-Y315 HydrophobicContact CB-CE2 4.31Å; E207-Y315 HydrophobicContact CG-CD2 4.32Å; E207-Y315 HydrophobicContact CG-CE2 3.37Å; E207-Y315 PolarHBondContact OE1-OH 2.91Å
208N77.9Confident84.6Confident136 Ų13659.1 Ų59.173%0.72732%0.316SS*.THydrogen-bonded Turntrans-90.6-0-178.5-58.6-50.4000112.8D206D206-N208 PolarHBondContact O-N 2.89Å; D206-N208 VanDerWaalsContact OD1-C 3.28Å; D206-N208 WeakPolarHBondContact OD1-CA 3.31Å; D206-N208 WeakPolarHBondContact OD1-CB 3.47Å; D206-N208 PolarHBondContact OD1-N 2.79Å
209G75.9Confident84.6Confident51 Ų5156.6 Ų56.653%0.52630%0.303SS..  trans83.27.6-178.300000114.8D206D206-G209 PolarHBondContact O-N 3.23Å; D206-G209 PolarHBondContact OD1-N 2.89Å
210N83.1Confident84.8Confident80 Ų8055.3 Ų55.343%0.42830%0.299SS..  trans-73131.5175.4-57.4-51.9000110.2T205 D206 L212T205-N210 CarbonylContact C-O 3.48Å; T205-N210 WeakPolarHBondContact CA-O 3.47Å; T205-N210 WeakPolarHBondContact CB-O 3.42Å; D206-N210 PolarHBondContact N-O 3.09Å; D206-N210 WeakPolarHBondContact OD1-CB 3.47Å; D206-N210 PolarHBondContact OD1-N 3.13Å; D206-N210 WeakPolarHBondContact OD2-CB 3.29Å; D206-N210 PolarHBondContact OD2-ND2 2.82Å; N210-L212 PolarHBondContact O-N 2.91Å
211K84.9Confident85Confident127 Ų12754 Ų5455%0.55229%0.289SS*.EExtended strand (participates in β ladder)trans-74.2116.3-179.2-168173.3179.5172.90110.3A203 H214A203-K211 HydrophobicContact CB-CD 4.4Å; K211-H214 VanDerWaalsContact CE-CE1 3.44Å; K211-H214 WeakPolarHBondContact CE-CE1 3.49Å; K211-H214 PolarHBondContact NZ-CE1 3.4Å; K211-H214 VanDerWaalsContact NZ-CE1 3.31Å; K211-H214 PolarHBondContact NZ-NE2 3.45Å
212L83.7Confident85.1Confident18 Ų1853.6 Ų53.69%0.09428%0.284CS..EExtended strand (participates in β ladder)trans-90.3-24.4-178.4-61.9174.7000112.8V204 D206 N210 I303 Y307 V311 V314V204-L212 HydrophobicContact CG2-CB 4.19Å; V204-L212 PolarHBondContact O-N 3.15Å; D206-L212 HydrophobicContact CB-CD1 4.01Å; D206-L212 HydrophobicContact CB-CD2 4.28Å; D206-L212 HydrophobicContact CB-CG 4.26Å; N210-L212 PolarHBondContact O-N 2.91Å; L212-I303 HydrophobicContact CB-CD1 4.16Å; L212-I303 HydrophobicContact CB-CG1 4.23Å; L212-I303 HydrophobicContact CD1-CD1 4.22Å; L212-Y307 HydrophobicContact CD2-CD2 4.02Å; L212-Y307 HydrophobicContact CD2-CE2 3.61Å; L212-V311 HydrophobicContact CD1-CG1 4Å; L212-V314 HydrophobicContact CD1-CB 4.35Å; L212-V314 HydrophobicContact CD1-CG1 3.56Å
213G86Confident85.3Confident17 Ų1753 Ų5318%0.17528%0.281CS..EExtended strand (participates in β ladder)trans154-159.1179.200000112.8A203 V204A203-G213 WeakPolarHBondContact CA-O 3.41Å; V204-G213 WeakPolarHBondContact CG2-O 3.33Å; V204-G213 PolarHBondContact N-O 3.49Å
214H87.2Confident85.6Confident101 Ų10154.5 Ų54.547%0.46829%0.286SS..EExtended strand (participates in β ladder)trans-119.6133.6175-62.982.7000110.7I202 K211I202-H214 CarbonylContact O-C 3.52Å; I202-H214 VanDerWaalsContact O-CA 3.24Å; I202-H214 WeakPolarHBondContact O-CA 3.41Å; K211-H214 VanDerWaalsContact CE-CE1 3.44Å; K211-H214 WeakPolarHBondContact CE-CE1 3.49Å; K211-H214 PolarHBondContact NZ-CE1 3.4Å; K211-H214 VanDerWaalsContact NZ-CE1 3.31Å; K211-H214 PolarHBondContact NZ-NE2 3.45Å
215S87.8Confident85.6Confident0 Ų055.7 Ų55.70%029%0.292CS..EExtended strand (participates in β ladder)trans-124128.7179.1177.40000111.6G201 I202 K217 A218 A219 L295 E296G201-S215 WeakPolarHBondContact CA-O 3.31Å; I202-S215 PolarHBondContact N-O 3.32Å; I202-S215 PolarHBondContact O-N 3.32Å; S215-K217 PolarHBondContact OG-N 3.45Å; S215-A218 PolarHBondContact OG-N 3.22Å; S215-A218 VanDerWaalsContact OG-N 3.15Å; S215-A219 PolarHBondContact O-N 3.05Å; S215-L295 WeakPolarHBondContact OG-CD2 3.18Å; S215-E296 WeakPolarHBondContact CB-OE2 3.41Å; S215-E296 PolarHBondContact OG-OE1 2.85Å; S215-E296 PolarHBondContact OG-OE2 2.91Å
216K89.4Confident85.7Confident108 Ų10854.4 Ų54.447%0.4728%0.284SS..Hα-helixtrans-77.6-35.8173.5-54-174.6-167.5-163.60110.7L199 A218 A219 V220 E296L199-K216 WeakPolarHBondContact O-CE 3.37Å; L199-K216 PolarHBondContact O-NZ 3.41Å; K216-A218 VanDerWaalsContact C-N 3.33Å; K216-A218 PolarHBondContact O-N 3.29Å; K216-A219 WeakPolarHBondContact O-CA 3.49Å; K216-A219 VanDerWaalsContact O-CB 3.31Å; K216-A219 WeakPolarHBondContact O-CB 3.09Å; K216-A219 PolarHBondContact O-N 3.35Å; K216-A219 VanDerWaalsContact O-N 3.13Å; K216-V220 WeakPolarHBondContact O-CG2 3.18Å; K216-V220 PolarHBondContact O-N 3.26Å; K216-E296 WeakPolarHBondContact CA-OE1 3.21Å; K216-E296 WeakPolarHBondContact CB-OE1 3.49Å; K216-E296 PolarHBondContact N-OE1 3.4Å
217K88.4Confident86Confident94 Ų9454.7 Ų54.741%0.40929%0.286SS..Hα-helixtrans-63.4-38.8174.9-70.6-175.5-176.4174.70112S215 A219 V220 K221 K294 L295 E296S215-K217 PolarHBondContact OG-N 3.45Å; K217-A219 VanDerWaalsContact C-N 3.33Å; K217-V220 PolarHBondContact O-N 3.39Å; K217-K221 PolarHBondContact O-N 2.87Å; K217-K294 WeakPolarHBondContact CD-O 3.24Å; K217-K294 PolarHBondContact NZ-O 2.89Å; K217-L295 PolarHBondContact NZ-O 2.88Å; K217-E296 HydrophobicContact CG-CG 4.42Å; K217-E296 PolarHBondContact N-OE1 2.89Å
218A85.8Confident86.5Confident0 Ų051.4 Ų51.40%027%0.272CS..Hα-helixtrans-61.1-43.5171.500000111.2I202 V204 S215 K216 K221 G222 M290 F316I202-A218 HydrophobicContact CD1-CB 3.86Å; I202-A218 HydrophobicContact CG1-CB 3.79Å; V204-A218 HydrophobicContact CG1-CB 3.95Å; S215-A218 PolarHBondContact OG-N 3.22Å; S215-A218 VanDerWaalsContact OG-N 3.15Å; K216-A218 VanDerWaalsContact C-N 3.33Å; K216-A218 PolarHBondContact O-N 3.29Å; A218-K221 PolarHBondContact O-N 2.98Å; A218-G222 PolarHBondContact O-N 2.82Å; A218-M290 HydrophobicContact CB-CE 4.39Å; A218-F316 HydrophobicContact CB-CB 4.47Å; A218-F316 HydrophobicContact CB-CD1 3.88Å; A218-F316 HydrophobicContact CB-CD2 4.34Å; A218-F316 HydrophobicContact CB-CE1 4.15Å; A218-F316 HydrophobicContact CB-CG 3.97Å; A218-F316 HydrophobicContact CB-CZ 4.47Å; A218-F316 WeakPolarHBondContact O-CE2 3.3Å
219A86.4Confident87.1Confident0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-59.8-48.317600000112.1E197 I202 S215 K216 K217 K221 G222 I223E197-A219 HydrophobicContact CB-CB 4.17Å; E197-A219 WeakPolarHBondContact O-CB 3.3Å; I202-A219 HydrophobicContact CD1-CB 4.41Å; I202-A219 HydrophobicContact CG1-CB 4.11Å; I202-A219 HydrophobicContact CG2-CB 3.89Å; S215-A219 PolarHBondContact O-N 3.05Å; K216-A219 WeakPolarHBondContact O-CA 3.49Å; K216-A219 VanDerWaalsContact O-CB 3.31Å; K216-A219 WeakPolarHBondContact O-CB 3.09Å; K216-A219 PolarHBondContact O-N 3.35Å; K216-A219 VanDerWaalsContact O-N 3.13Å; K217-A219 VanDerWaalsContact C-N 3.33Å; A219-K221 PolarHBondContact O-N 3.42Å; A219-G222 PolarHBondContact O-N 3.38Å; A219-I223 WeakPolarHBondContact O-CB 3.5Å; A219-I223 VanDerWaalsContact O-CG1 3.31Å; A219-I223 WeakPolarHBondContact O-CG1 3.36Å; A219-I223 PolarHBondContact O-N 2.95Å
220V89.4Confident87.6Confident75 Ų7544.1 Ų44.146%0.45522%0.22SC..Hα-helixtrans-57.1-49.3176.5173.30000110.6L198 K216 K217 G222 I223 T224L198-V220 HydrophobicContact CD2-CB 4.41Å; L198-V220 HydrophobicContact CD2-CG2 3.58Å; K216-V220 WeakPolarHBondContact O-CG2 3.18Å; K216-V220 PolarHBondContact O-N 3.26Å; K217-V220 PolarHBondContact O-N 3.39Å; V220-G222 PolarHBondContact O-N 2.79Å; V220-I223 PolarHBondContact O-N 3.5Å; V220-T224 WeakPolarHBondContact O-CB 3.47Å; V220-T224 PolarHBondContact O-N 2.73Å; V220-T224 PolarHBondContact O-OG1 3.2Å
221K88.8Confident88Confident77 Ų7742.2 Ų42.234%0.33521%0.209SC..Hα-helixtrans-59.2-46.9178.9-179177.6173.3-171.40111.7K217 A218 A219 T224 Q225 S289 M290 F316K217-K221 PolarHBondContact O-N 2.87Å; A218-K221 PolarHBondContact O-N 2.98Å; A219-K221 PolarHBondContact O-N 3.42Å; K221-T224 PolarHBondContact O-N 3.5Å; K221-Q225 VanDerWaalsContact O-CG 3.32Å; K221-Q225 WeakPolarHBondContact O-CG 3.33Å; K221-Q225 PolarHBondContact O-N 2.95Å; K221-S289 PolarHBondContact NZ-O 2.87Å; K221-M290 HydrophobicContact CB-CE 3.73Å; K221-M290 HydrophobicContact CD-CE 3.39Å; K221-M290 HydrophobicContact CG-CE 4.19Å; K221-F316 HydrophobicContact CB-CZ 4.3Å; K221-F316 HydrophobicContact CD-CE1 4.49Å; K221-F316 HydrophobicContact CD-CZ 4.02Å; K221-F316 HydrophobicContact CG-CZ 4.22Å
222G85.9Confident88.3Confident0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-61-47.5178.500000112.2A218 A219 V220 T224 Q225 V226A218-G222 PolarHBondContact O-N 2.82Å; A219-G222 PolarHBondContact O-N 3.38Å; V220-G222 PolarHBondContact O-N 2.79Å; G222-T224 PolarHBondContact O-N 3.42Å; G222-Q225 WeakPolarHBondContact O-CB 3.33Å; G222-Q225 PolarHBondContact O-N 3.24Å; G222-V226 WeakPolarHBondContact O-CG2 3.42Å; G222-V226 PolarHBondContact O-N 3.42Å
223I87.9Confident88.5Confident6 Ų638.2 Ų38.23%0.03120%0.196CC..Hα-helixtrans-62.2-44.7178.4-71.9165.7000111.1I190 P191 R194 L198 A219 V220 Q225 V226 V227I190-I223 HydrophobicContact CG2-CG2 4.2Å; P191-I223 HydrophobicContact CB-CG2 4.35Å; P191-I223 HydrophobicContact CG-CG2 3.89Å; R194-I223 HydrophobicContact CB-CD1 3.7Å; R194-I223 HydrophobicContact CB-CG1 4.1Å; L198-I223 HydrophobicContact CD1-CD1 4.04Å; L198-I223 HydrophobicContact CD2-CD1 3.52Å; L198-I223 HydrophobicContact CG-CD1 3.5Å; A219-I223 WeakPolarHBondContact O-CB 3.5Å; A219-I223 VanDerWaalsContact O-CG1 3.31Å; A219-I223 WeakPolarHBondContact O-CG1 3.36Å; A219-I223 PolarHBondContact O-N 2.95Å; V220-I223 PolarHBondContact O-N 3.5Å; I223-Q225 VanDerWaalsContact C-N 3.33Å; I223-Q225 PolarHBondContact O-N 3.3Å; I223-V226 PolarHBondContact O-N 3.38Å; I223-V227 WeakPolarHBondContact O-CG2 3.35Å; I223-V227 PolarHBondContact O-N 3.19Å
224T90.3Very high88.5Confident71 Ų7138.2 Ų38.244%0.43619%0.194SC..Hα-helixtrans-60.1-42.4176-58.20000111.7V220 K221 G222 V226 V227 I228V220-T224 WeakPolarHBondContact O-CB 3.47Å; V220-T224 PolarHBondContact O-N 2.73Å; V220-T224 PolarHBondContact O-OG1 3.2Å; K221-T224 PolarHBondContact O-N 3.5Å; G222-T224 PolarHBondContact O-N 3.42Å; T224-V226 VanDerWaalsContact C-N 3.34Å; T224-V226 PolarHBondContact O-N 2.9Å; T224-V227 PolarHBondContact O-N 3.46Å; T224-I228 HydrophobicContact CG2-CD1 3.99Å; T224-I228 VanDerWaalsContact O-CG1 3.31Å; T224-I228 WeakPolarHBondContact O-CG1 3.46Å; T224-I228 PolarHBondContact O-N 2.81Å
225Q88.6Confident88.7Confident24 Ų2434.4 Ų34.411%0.11218%0.18CC..Hα-helixtrans-61.7-41.6175.7-75.3175.3-33.400112K221 G222 I223 I228 S229 F284 C288K221-Q225 VanDerWaalsContact O-CG 3.32Å; K221-Q225 WeakPolarHBondContact O-CG 3.33Å; K221-Q225 PolarHBondContact O-N 2.95Å; G222-Q225 WeakPolarHBondContact O-CB 3.33Å; G222-Q225 PolarHBondContact O-N 3.24Å; I223-Q225 VanDerWaalsContact C-N 3.33Å; I223-Q225 PolarHBondContact O-N 3.3Å; Q225-I228 PolarHBondContact O-N 2.93Å; Q225-S229 PolarHBondContact O-N 2.95Å; Q225-S229 PolarHBondContact O-OG 3.24Å; Q225-F284 HydrophobicContact CB-CB 4.35Å; Q225-F284 HydrophobicContact CB-CD1 4.42Å; Q225-F284 HydrophobicContact CB-CD2 3.64Å; Q225-F284 HydrophobicContact CB-CE2 3.98Å; Q225-F284 HydrophobicContact CB-CG 3.88Å; Q225-F284 HydrophobicContact CG-CD1 3.93Å; Q225-F284 HydrophobicContact CG-CD2 4.03Å; Q225-F284 HydrophobicContact CG-CE1 4.09Å; Q225-F284 HydrophobicContact CG-CE2 4.18Å; Q225-F284 HydrophobicContact CG-CG 3.9Å; Q225-F284 HydrophobicContact CG-CZ 4.21Å; Q225-F284 WeakPolarHBondContact O-CD2 3.36Å; Q225-F284 WeakPolarHBondContact O-CE2 3.35Å; Q225-C288 PolarHBondContact OE1-SG 2.84Å
226V87.6Confident88.7Confident4 Ų435.4 Ų35.42%0.02419%0.187CC..Hα-helixtrans-65.6-42176.8176.20000111.4I190 G222 I223 T224 I228 S229 R230 K318I190-V226 HydrophobicContact CD1-CG1 4.26Å; I190-V226 HydrophobicContact CG2-CB 4.38Å; I190-V226 HydrophobicContact CG2-CG1 3.99Å; G222-V226 WeakPolarHBondContact O-CG2 3.42Å; G222-V226 PolarHBondContact O-N 3.42Å; I223-V226 PolarHBondContact O-N 3.38Å; T224-V226 VanDerWaalsContact C-N 3.34Å; T224-V226 PolarHBondContact O-N 2.9Å; V226-I228 PolarHBondContact O-N 3.36Å; V226-S229 PolarHBondContact O-N 2.8Å; V226-R230 HydrophobicContact CG1-CG 4.36Å; V226-R230 VanDerWaalsContact O-CG 3.29Å; V226-R230 WeakPolarHBondContact O-CG 3.46Å; V226-R230 PolarHBondContact O-N 3.09Å; V226-K318 HydrophobicContact CG2-CD 4.36Å; V226-K318 HydrophobicContact CG2-CG 4.28Å
227V90.1Very high88.5Confident16 Ų1630.4 Ų30.410%0.09717%0.166CC..Hα-helixtrans-58-48174.1172.40000110.8I190 I223 T224 S229 R230 I231I190-V227 HydrophobicContact CB-CG2 3.96Å; I190-V227 HydrophobicContact CD1-CB 4.36Å; I190-V227 HydrophobicContact CD1-CG2 3.82Å; I190-V227 HydrophobicContact CG1-CG2 4.5Å; I190-V227 HydrophobicContact CG2-CG2 4.18Å; I223-V227 WeakPolarHBondContact O-CG2 3.35Å; I223-V227 PolarHBondContact O-N 3.19Å; T224-V227 PolarHBondContact O-N 3.46Å; V227-S229 PolarHBondContact O-N 3.28Å; V227-R230 PolarHBondContact O-N 3.06Å; V227-I231 HydrophobicContact CG1-CD1 3.8Å; V227-I231 WeakPolarHBondContact O-CG1 3.32Å; V227-I231 PolarHBondContact O-N 3.29Å
228I91.8Very high88.4Confident74 Ų7426.2 Ų26.238%0.37915%0.148SC..Hα-helixtrans-60.9-45.7178.1-68.2166.9000110.9T224 Q225 V226 R230 I231 T232 L283 F284T224-I228 HydrophobicContact CG2-CD1 3.99Å; T224-I228 VanDerWaalsContact O-CG1 3.31Å; T224-I228 WeakPolarHBondContact O-CG1 3.46Å; T224-I228 PolarHBondContact O-N 2.81Å; Q225-I228 PolarHBondContact O-N 2.93Å; V226-I228 PolarHBondContact O-N 3.36Å; I228-R230 PolarHBondContact O-N 3.24Å; I228-I231 PolarHBondContact O-N 3.44Å; I228-T232 VanDerWaalsContact O-CB 3.29Å; I228-T232 WeakPolarHBondContact O-CB 3.49Å; I228-T232 PolarHBondContact O-N 2.95Å; I228-T232 PolarHBondContact O-OG1 3.14Å; I228-L283 HydrophobicContact CG2-CD2 4.27Å; I228-F284 HydrophobicContact CB-CE2 4.06Å; I228-F284 HydrophobicContact CB-CZ 4.48Å; I228-F284 HydrophobicContact CG2-CE2 3.91Å; I228-F284 HydrophobicContact CG2-CZ 4.1Å
229S89.6Confident88.5Confident8 Ų828.9 Ų28.96%0.05616%0.161CC..Hα-helixtrans-56.9-46.6175.3-81.20000111.7Q225 V226 V227 I231 T232 M233 A280 F284Q225-S229 PolarHBondContact O-N 2.95Å; Q225-S229 PolarHBondContact O-OG 3.24Å; V226-S229 PolarHBondContact O-N 2.8Å; V227-S229 PolarHBondContact O-N 3.28Å; S229-I231 PolarHBondContact O-N 3.46Å; S229-T232 PolarHBondContact O-N 3.33Å; S229-M233 WeakPolarHBondContact O-CB 3.27Å; S229-M233 PolarHBondContact O-N 3.43Å; S229-A280 WeakPolarHBondContact CB-O 3.29Å; S229-A280 WeakPolarHBondContact O-CB 3.46Å; S229-A280 PolarHBondContact OG-O 2.96Å; S229-F284 WeakPolarHBondContact OG-CD2 3.24Å
230R88Confident88.7Confident26 Ų2632.6 Ų32.610%0.09818%0.18CC..Hα-helixtrans-66-40.1-178.3-69.1-84.1179-179.2-3.1112.4N186 I190 V226 V227 I228 M233 A234 L320N186-R230 HydrophobicContact CB-CB 4.5Å; I190-R230 HydrophobicContact CD1-CB 4.07Å; I190-R230 HydrophobicContact CD1-CG 3.79Å; V226-R230 HydrophobicContact CG1-CG 4.36Å; V226-R230 VanDerWaalsContact O-CG 3.29Å; V226-R230 WeakPolarHBondContact O-CG 3.46Å; V226-R230 PolarHBondContact O-N 3.09Å; V227-R230 PolarHBondContact O-N 3.06Å; I228-R230 PolarHBondContact O-N 3.24Å; R230-M233 WeakPolarHBondContact O-CB 3.41Å; R230-M233 PolarHBondContact O-N 2.76Å; R230-A234 PolarHBondContact O-N 3.47Å; R230-L320 PolarHBondContact NH2-OXT 2.72Å
231I90.8Very high88.5Confident40 Ų4029.1 Ų29.121%0.20516%0.159CC..Hα-helixtrans-66.1-43.7174.6-65.2171000110.6F179 A183 N186 V227 I228 S229 M233 A234 A235F179-I231 HydrophobicContact CE2-CG2 4.06Å; F179-I231 HydrophobicContact CZ-CG2 3.76Å; A183-I231 HydrophobicContact CB-CD1 4.22Å; A183-I231 HydrophobicContact CB-CG1 4.08Å; A183-I231 HydrophobicContact CB-CG2 4.25Å; N186-I231 HydrophobicContact CB-CG1 4.47Å; V227-I231 HydrophobicContact CG1-CD1 3.8Å; V227-I231 WeakPolarHBondContact O-CG1 3.32Å; V227-I231 PolarHBondContact O-N 3.29Å; I228-I231 PolarHBondContact O-N 3.44Å; S229-I231 PolarHBondContact O-N 3.46Å; I231-M233 VanDerWaalsContact C-N 3.26Å; I231-M233 PolarHBondContact O-N 2.91Å; I231-A234 PolarHBondContact O-N 3.14Å; I231-A235 WeakPolarHBondContact O-CB 3.29Å; I231-A235 PolarHBondContact O-N 3.39Å
232T90.4Very high88.3Confident49 Ų4925.7 Ų25.730%0.30115%0.145SC..Hα-helixtrans-61.3-36.9178.7-580000111.6I228 S229 A234 P236 M276I228-T232 VanDerWaalsContact O-CB 3.29Å; I228-T232 WeakPolarHBondContact O-CB 3.49Å; I228-T232 PolarHBondContact O-N 2.95Å; I228-T232 PolarHBondContact O-OG1 3.14Å; S229-T232 PolarHBondContact O-N 3.33Å; T232-A234 VanDerWaalsContact C-N 3.35Å; T232-A234 PolarHBondContact O-N 3.36Å; T232-P236 WeakPolarHBondContact O-CD 3.45Å; T232-M276 HydrophobicContact CG2-CE 4.14Å; T232-M276 WeakPolarHBondContact O-CE 3.49Å
233M89.1Confident88.4Confident13 Ų1328 Ų286%0.06416%0.158CC..Hα-helixtrans-61-41.3176.2-170.3-178.2-65.900112.6Q93 S229 R230 I231 V277 A280Q93-M233 PolarHBondContact NE2-SD 3.36Å; S229-M233 WeakPolarHBondContact O-CB 3.27Å; S229-M233 PolarHBondContact O-N 3.43Å; R230-M233 WeakPolarHBondContact O-CB 3.41Å; R230-M233 PolarHBondContact O-N 2.76Å; I231-M233 VanDerWaalsContact C-N 3.26Å; I231-M233 PolarHBondContact O-N 2.91Å; M233-V277 HydrophobicContact CE-CB 4.47Å; M233-V277 HydrophobicContact CE-CG1 4.15Å; M233-V277 HydrophobicContact CG-CB 4.48Å; M233-V277 HydrophobicContact CG-CG2 3.92Å; M233-V277 HydrophobicContact SD-CB 4.3Å; M233-V277 HydrophobicContact SD-CG1 4.28Å; M233-V277 HydrophobicContact SD-CG2 3.77Å; M233-A280 HydrophobicContact CB-CB 3.62Å; M233-A280 HydrophobicContact CE-CB 3.98Å; M233-A280 HydrophobicContact CG-CB 4.18Å
234A86.3Confident88.3Confident17 Ų1730.5 Ų30.514%0.1417%0.171CC..Hα-helixtrans-83.9-24.6-177.700000113.7V182 R230 I231 T232 M238V182-A234 HydrophobicContact CG1-CB 4.44Å; R230-A234 PolarHBondContact O-N 3.47Å; I231-A234 PolarHBondContact O-N 3.14Å; T232-A234 VanDerWaalsContact C-N 3.35Å; T232-A234 PolarHBondContact O-N 3.36Å; A234-M238 HydrophobicContact CB-CE 4.29Å; A234-M238 HydrophobicContact CB-SD 4.33Å; A234-M238 PolarHBondContact O-N 2.9Å; A234-M238 VanDerWaalsContact O-N 3.15Å
235A89.7Confident88Confident20 Ų2027.2 Ų27.217%0.16515%0.151CC..Hα-helixtrans-59.4-51.1-169.500000114.3F179 I231 G237 M238 I239F179-A235 VanDerWaalsContact CE2-CA 3.49Å; F179-A235 HydrophobicContact CE2-CB 3.63Å; F179-A235 HydrophobicContact CZ-CB 3.93Å; I231-A235 WeakPolarHBondContact O-CB 3.29Å; I231-A235 PolarHBondContact O-N 3.39Å; A235-G237 PolarHBondContact O-N 3.1Å; A235-M238 PolarHBondContact O-N 3.13Å; A235-I239 HydrophobicContact CB-CD1 3.94Å; A235-I239 WeakPolarHBondContact O-CB 3.42Å; A235-I239 VanDerWaalsContact O-CG1 3.25Å; A235-I239 WeakPolarHBondContact O-CG1 3.39Å; A235-I239 PolarHBondContact O-N 3.4Å
236P87.4Confident87.7Confident22 Ų2229.6 Ų29.614%0.14316%0.162CC..Iπ-helixtrans-61.4-45.1-177.6-29.640.9000112.9T232 M238 I240 F272 M276T232-P236 WeakPolarHBondContact O-CD 3.45Å; P236-M238 PolarHBondContact O-N 3.37Å; P236-I240 HydrophobicContact CB-CD1 4.06Å; P236-I240 VanDerWaalsContact O-CB 3.23Å; P236-I240 WeakPolarHBondContact O-CB 3.36Å; P236-I240 PolarHBondContact O-N 2.9Å; P236-F272 HydrophobicContact CB-CD1 4.02Å; P236-F272 HydrophobicContact CB-CE1 4.49Å; P236-M276 HydrophobicContact CB-CG 4.09Å; P236-M276 HydrophobicContact CB-SD 4.49Å; P236-M276 HydrophobicContact CG-CE 3.69Å; P236-M276 HydrophobicContact CG-CG 3.78Å; P236-M276 HydrophobicContact CG-SD 3.76Å
237G85.9Confident87.6Confident3 Ų338 Ų383%0.03119%0.193CC..Iπ-helixtrans-64.6-36.1-179.700000113.3A235 L241A235-G237 PolarHBondContact O-N 3.1Å; G237-L241 WeakPolarHBondContact O-CB 3.36Å
238M87.1Confident87.4Confident6 Ų639.9 Ų39.93%0.0320%0.203CC..Iπ-helixtrans-95.8-18.3-176.5-60.4-176.6-17500114.3T101 M104 F179 V182 A234 A235 P236 P242T101-M238 HydrophobicContact CG2-CE 3.65Å; T101-M238 HydrophobicContact CG2-CG 3.82Å; T101-M238 WeakPolarHBondContact OG1-CE 3.25Å; M104-M238 HydrophobicContact CE-CE 3.57Å; F179-M238 HydrophobicContact CB-CB 3.74Å; F179-M238 HydrophobicContact CB-SD 4.21Å; F179-M238 HydrophobicContact CD2-CB 4.17Å; F179-M238 HydrophobicContact CD2-SD 4.39Å; F179-M238 HydrophobicContact CG-CB 4.35Å; V182-M238 HydrophobicContact CB-SD 4.41Å; V182-M238 HydrophobicContact CG1-CE 4.49Å; V182-M238 HydrophobicContact CG2-CE 4.11Å; V182-M238 HydrophobicContact CG2-SD 4.33Å; A234-M238 HydrophobicContact CB-CE 4.29Å; A234-M238 HydrophobicContact CB-SD 4.33Å; A234-M238 PolarHBondContact O-N 2.9Å; A234-M238 VanDerWaalsContact O-N 3.15Å; A235-M238 PolarHBondContact O-N 3.13Å; P236-M238 PolarHBondContact O-N 3.37Å; M238-P242 WeakPolarHBondContact O-CD 3.47Å; M238-P242 VanDerWaalsContact O-CG 3.27Å; M238-P242 WeakPolarHBondContact O-CG 3.5Å
239I88.3Confident86.9Confident56 Ų5638.8 Ų38.829%0.28720%0.196SC..Iπ-helixtrans-99.8-47.5180-59.7174.2000111.3W176 F179 A235W176-I239 HydrophobicContact CZ2-CG2 4.41Å; W176-I239 PolarHBondContact NE1-O 3.33Å; F179-I239 HydrophobicContact CD1-CD1 3.94Å; F179-I239 HydrophobicContact CD1-CG1 4.02Å; F179-I239 HydrophobicContact CD2-CD1 4.45Å; F179-I239 HydrophobicContact CD2-CG1 4.34Å; F179-I239 HydrophobicContact CE1-CD1 3.73Å; F179-I239 HydrophobicContact CE1-CG1 4.32Å; F179-I239 HydrophobicContact CE2-CD1 4.27Å; F179-I239 HydrophobicContact CG-CD1 4.29Å; F179-I239 HydrophobicContact CG-CG1 4.03Å; F179-I239 HydrophobicContact CZ-CD1 3.9Å; A235-I239 HydrophobicContact CB-CD1 3.94Å; A235-I239 WeakPolarHBondContact O-CB 3.42Å; A235-I239 VanDerWaalsContact O-CG1 3.25Å; A235-I239 WeakPolarHBondContact O-CG1 3.39Å; A235-I239 PolarHBondContact O-N 3.4Å
240I88.9Confident86.5Confident78 Ų7846 Ų4640%0.423%0.227SC..Iπ-helixtrans-81.4-40.8-172.4-59.3173.2000110.6P236 V243 I244 F272P236-I240 HydrophobicContact CB-CD1 4.06Å; P236-I240 VanDerWaalsContact O-CB 3.23Å; P236-I240 WeakPolarHBondContact O-CB 3.36Å; P236-I240 PolarHBondContact O-N 2.9Å; I240-V243 WeakPolarHBondContact O-CB 2.95Å; I240-V243 PolarHBondContact O-N 2.93Å; I240-I244 HydrophobicContact CG2-CD1 3.73Å; I240-I244 HydrophobicContact CG2-CG1 4.08Å; I240-I244 PolarHBondContact O-N 2.92Å; I240-F272 HydrophobicContact CB-CZ 4.49Å; I240-F272 HydrophobicContact CG2-CZ 4.15Å
241L86.9Confident86.3Confident1 Ų151.1 Ų51.11%0.00525%0.25CC..Hα-helixtrans-59-43.8-177.2-176.361.5000113.6L105 G237 V243 I244 M245 Q265 M268 V269 F272L105-L241 HydrophobicContact CD1-CD2 3.66Å; L105-L241 HydrophobicContact CD1-CG 4.41Å; G237-L241 WeakPolarHBondContact O-CB 3.36Å; L241-V243 PolarHBondContact O-N 3.39Å; L241-I244 PolarHBondContact O-N 3Å; L241-M245 HydrophobicContact CD1-CG 4.23Å; L241-M245 HydrophobicContact CG-CG 4.36Å; L241-M245 WeakPolarHBondContact O-CB 3.46Å; L241-M245 WeakPolarHBondContact O-CG 3.48Å; L241-M245 PolarHBondContact O-N 3.21Å; L241-Q265 HydrophobicContact CD2-CB 4.38Å; L241-M268 HydrophobicContact CD1-CB 3.47Å; L241-M268 VanDerWaalsContact CD1-CB 3.47Å; L241-M268 HydrophobicContact CD1-CE 3.4Å; L241-M268 VanDerWaalsContact CD1-CE 3.4Å; L241-M268 HydrophobicContact CD1-CG 4.16Å; L241-M268 HydrophobicContact CD1-SD 3.63Å; L241-M268 HydrophobicContact CD2-CB 4.26Å; L241-V269 HydrophobicContact CD2-CB 4.36Å; L241-V269 HydrophobicContact CD2-CG2 3.23Å; L241-F272 HydrophobicContact CB-CE2 4.38Å; L241-F272 HydrophobicContact CD1-CE2 4.45Å
242P84.4Confident85.7Confident6 Ų658.1 Ų58.14%0.03928%0.279CS..Hα-helixtrans-54.8-35.6172.9-32.139.7000114.7L105 R175 M238 Q246L105-P242 HydrophobicContact CD2-CG 4.19Å; R175-P242 HydrophobicContact CB-CB 3.86Å; R175-P242 HydrophobicContact CB-CG 4.19Å; R175-P242 HydrophobicContact CG-CB 4.46Å; R175-P242 PolarHBondContact NH1-O 3.2Å; R175-P242 VanDerWaalsContact NH1-O 3.12Å; M238-P242 WeakPolarHBondContact O-CD 3.47Å; M238-P242 VanDerWaalsContact O-CG 3.27Å; M238-P242 WeakPolarHBondContact O-CG 3.5Å; P242-Q246 WeakPolarHBondContact O-CB 3.26Å; P242-Q246 PolarHBondContact O-N 2.83Å
243V87Confident85.2Confident47 Ų4762.9 Ų62.929%0.28530%0.296SS..Hα-helixtrans-73-43.3178.9179.40000110.4L172 I240 L241 Q246 R247L172-V243 HydrophobicContact CD2-CG2 4.45Å; I240-V243 WeakPolarHBondContact O-CB 2.95Å; I240-V243 PolarHBondContact O-N 2.93Å; L241-V243 PolarHBondContact O-N 3.39Å; V243-Q246 PolarHBondContact O-N 3.45Å; V243-R247 PolarHBondContact O-N 3.32Å; V243-R247 VanDerWaalsContact O-N 3.15Å
244I87.1Confident84.6Confident59 Ų5962.8 Ų62.830%0.30330%0.295SS..Hα-helixtrans-59.6-49.7173.8-66.6174.3000109.7I240 L241 Q246 R247 L248 M268 F272I240-I244 HydrophobicContact CG2-CD1 3.73Å; I240-I244 HydrophobicContact CG2-CG1 4.08Å; I240-I244 PolarHBondContact O-N 2.92Å; L241-I244 PolarHBondContact O-N 3Å; I244-Q246 VanDerWaalsContact C-N 3.35Å; I244-Q246 PolarHBondContact O-N 2.81Å; I244-R247 PolarHBondContact O-N 2.85Å; I244-R247 VanDerWaalsContact O-N 3.08Å; I244-L248 HydrophobicContact CG2-CD1 3.72Å; I244-L248 HydrophobicContact CG2-CG 4.15Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 3.19Å; I244-M268 HydrophobicContact CG2-SD 4.29Å; I244-F272 HydrophobicContact CD1-CE2 4.36Å; I244-F272 HydrophobicContact CD1-CZ 3.99Å
245M83.3Confident84Confident2 Ų267.6 Ų67.61%0.0132%0.315CS..Hα-helixtrans-59.5-43.3178.8-78.2-59.8-6500112.2L241 R247 L248 E249 M254 H261 L264 Q265 M268L241-M245 HydrophobicContact CD1-CG 4.23Å; L241-M245 HydrophobicContact CG-CG 4.36Å; L241-M245 WeakPolarHBondContact O-CB 3.46Å; L241-M245 WeakPolarHBondContact O-CG 3.48Å; L241-M245 PolarHBondContact O-N 3.21Å; M245-R247 PolarHBondContact O-N 2.92Å; M245-L248 PolarHBondContact O-N 3.24Å; M245-L248 HydrophobicContact SD-CD1 4.43Å; M245-E249 VanDerWaalsContact O-CB 3.32Å; M245-E249 WeakPolarHBondContact O-CB 3.45Å; M245-E249 WeakPolarHBondContact O-CG 3.24Å; M245-E249 PolarHBondContact O-N 2.95Å; M245-M254 HydrophobicContact CE-CE 3.61Å; M245-M254 HydrophobicContact SD-CE 4.12Å; M245-H261 HydrophobicContact CE-CB 4.25Å; M245-L264 HydrophobicContact SD-CD2 4.22Å; M245-Q265 HydrophobicContact CE-CG 4.03Å; M245-Q265 HydrophobicContact CG-CG 3.9Å; M245-Q265 HydrophobicContact SD-CG 3.98Å; M245-M268 HydrophobicContact CG-CE 3.92Å; M245-M268 HydrophobicContact SD-CE 3.22Å; M245-M268 WeakPolarHBondContact SD-CE 3.24Å
246Q83.1Confident83.3Confident74 Ų7477.3 Ų77.335%0.34635%0.347SS..Hα-helixtrans-60.8-34.3176.4-168.4-175.7-0.300112.7P242 V243 I244P242-Q246 WeakPolarHBondContact O-CB 3.26Å; P242-Q246 PolarHBondContact O-N 2.83Å; V243-Q246 PolarHBondContact O-N 3.45Å; I244-Q246 VanDerWaalsContact C-N 3.35Å; I244-Q246 PolarHBondContact O-N 2.81Å
247R85.4Confident82.8Confident180 Ų18078 Ų7868%0.67935%0.349SS*.Hα-helixtrans-74.5-41.7174.8-69-176-178.5-172.91.2111.5V243 I244 M245 K250V243-R247 PolarHBondContact O-N 3.32Å; V243-R247 VanDerWaalsContact O-N 3.15Å; I244-R247 PolarHBondContact O-N 2.85Å; I244-R247 VanDerWaalsContact O-N 3.08Å; M245-R247 PolarHBondContact O-N 2.92Å; R247-K250 WeakPolarHBondContact O-CB 3.37Å; R247-K250 PolarHBondContact O-N 3.4Å
248L84.3Confident82.1Confident57 Ų5782.1 Ų82.130%0.29837%0.374SS..Hα-helixtrans-65.3-38.8178.7-72.3176.6000112.5I244 M245 K250 F251 M254 M268I244-L248 HydrophobicContact CG2-CD1 3.72Å; I244-L248 HydrophobicContact CG2-CG 4.15Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 3.19Å; M245-L248 PolarHBondContact O-N 3.24Å; M245-L248 HydrophobicContact SD-CD1 4.43Å; L248-K250 PolarHBondContact O-N 3.19Å; L248-F251 HydrophobicContact CD2-CD2 4.49Å; L248-F251 WeakPolarHBondContact O-CD2 3.01Å; L248-F251 PolarHBondContact O-N 3.39Å; L248-M254 HydrophobicContact CB-CG 4.37Å; L248-M254 WeakPolarHBondContact O-CB 3.48Å; L248-M254 WeakPolarHBondContact O-CG 3.41Å; L248-M268 HydrophobicContact CD1-CE 4.42Å; L248-M268 HydrophobicContact CD1-SD 4.42Å
249E81.2Confident81.6Confident51 Ų5190 Ų9024%0.23841%0.408CS..THydrogen-bonded Turntrans-60.3-15.4178.1-77.1166.4-177.800113.5R175 M245 Q255R175-E249 IonicContact CZ-OE2 2.99Å; R175-E249 IonicContact NH1-OE2 3.75Å; R175-E249 IonicContact NH2-OE1 3.09Å; R175-E249 IonicContact NH2-OE2 3.73Å; R175-E249 PolarHBondContact NH2-OE2 3.03Å; M245-E249 VanDerWaalsContact O-CB 3.32Å; M245-E249 WeakPolarHBondContact O-CB 3.45Å; M245-E249 WeakPolarHBondContact O-CG 3.24Å; M245-E249 PolarHBondContact O-N 2.95Å; E249-Q255 WeakPolarHBondContact O-CG 3.33Å; E249-Q255 PolarHBondContact O-NE2 3.45Å
250K81.9Confident81.3Confident159 Ų15993 Ų9369%0.69142%0.419SS*.THydrogen-bonded Turntrans-77.5-19.8174.9-64.5-176178.3-1740113.6R247 L248R247-K250 WeakPolarHBondContact O-CB 3.37Å; R247-K250 PolarHBondContact O-N 3.4Å; L248-K250 PolarHBondContact O-N 3.19Å
251F84.2Confident80.9Confident134 Ų13490.4 Ų90.459%0.58841%0.405SS*.SBendtrans-79.5136.4-179.7-67.6-78.6000111.3L248 F253 M254 Q255L248-F251 HydrophobicContact CD2-CD2 4.49Å; L248-F251 WeakPolarHBondContact O-CD2 3.01Å; L248-F251 PolarHBondContact O-N 3.39Å; F251-F253 PolarHBondContact O-N 2.96Å; F251-M254 HydrophobicContact CB-CB 4.48Å; F251-M254 WeakPolarHBondContact O-CB 3.29Å; F251-M254 PolarHBondContact O-N 3.34Å; F251-Q255 PolarHBondContact O-N 3.07Å; F251-Q255 VanDerWaalsContact O-N 3.15Å
252K77.4Confident80.7Confident186 Ų18690.9 Ų90.981%0.80941%0.411SS*.Hα-helixtrans-56.1-34.4-179-70-175.8176.8-179.80113.5Q255 R256K252-Q255 PolarHBondContact O-N 3.44Å; K252-R256 PolarHBondContact O-N 3.38Å
253F79.9Confident80.7Confident150 Ų15093.6 Ų93.666%0.65843%0.428SS*.Hα-helixtrans-61.3-48.3174173.6-103.9000111.2F251 Q255 R256 I257F251-F253 PolarHBondContact O-N 2.96Å; F253-Q255 VanDerWaalsContact C-N 3.28Å; F253-Q255 PolarHBondContact O-N 3.06Å; F253-R256 WeakPolarHBondContact O-CB 3.28Å; F253-R256 PolarHBondContact O-N 3.34Å; F253-I257 HydrophobicContact CD1-CD1 4.02Å; F253-I257 HydrophobicContact CD1-CG1 4.41Å; F253-I257 HydrophobicContact CE1-CD1 3.42Å; F253-I257 VanDerWaalsContact CE1-CD1 3.42Å; F253-I257 HydrophobicContact CE1-CG1 4.18Å; F253-I257 HydrophobicContact CE2-CG2 4.18Å; F253-I257 HydrophobicContact CZ-CD1 3.84Å; F253-I257 HydrophobicContact CZ-CG1 4.48Å; F253-I257 HydrophobicContact CZ-CG2 4.19Å; F253-I257 WeakPolarHBondContact O-CG1 3.49Å; F253-I257 PolarHBondContact O-N 2.92Å
254M76.8Confident80.7Confident11 Ų1194.1 Ų94.15%0.05443%0.429CS..Hα-helixtrans-65.4-31.1-178.2-160.161.4177.500112.7M245 L248 F251 R256 I257 H261 L264M245-M254 HydrophobicContact CE-CE 3.61Å; M245-M254 HydrophobicContact SD-CE 4.12Å; L248-M254 HydrophobicContact CB-CG 4.37Å; L248-M254 WeakPolarHBondContact O-CB 3.48Å; L248-M254 WeakPolarHBondContact O-CG 3.41Å; F251-M254 HydrophobicContact CB-CB 4.48Å; F251-M254 WeakPolarHBondContact O-CB 3.29Å; F251-M254 PolarHBondContact O-N 3.34Å; M254-R256 VanDerWaalsContact C-N 3.29Å; M254-R256 PolarHBondContact O-N 3.14Å; M254-I257 PolarHBondContact O-N 3.31Å; M254-I257 HydrophobicContact SD-CD1 3.73Å; M254-I257 HydrophobicContact SD-CG1 4.01Å; M254-H261 WeakPolarHBondContact CE-CD2 3.35Å; M254-H261 PolarHBondContact O-NE2 2.96Å; M254-L264 HydrophobicContact CE-CD2 3.28Å; M254-L264 HydrophobicContact SD-CD2 4.2Å
255Q72.9Confident80.6Confident117 Ų11792 Ų9255%0.54742%0.418SS..Hα-helixtrans-70.3-24.4174-66.5176.7-6.400113.1E249 F251 K252 F253E249-Q255 WeakPolarHBondContact O-CG 3.33Å; E249-Q255 PolarHBondContact O-NE2 3.45Å; F251-Q255 PolarHBondContact O-N 3.07Å; F251-Q255 VanDerWaalsContact O-N 3.15Å; K252-Q255 PolarHBondContact O-N 3.44Å; F253-Q255 VanDerWaalsContact C-N 3.28Å; F253-Q255 PolarHBondContact O-N 3.06Å
256R75.4Confident80.8Confident224 Ų22493.8 Ų93.885%0.84543%0.429SS*.Hα-helixtrans-83.6-25.2176.7-163.8173-176.2165.70.8112.7K252 F253 M254K252-R256 PolarHBondContact O-N 3.38Å; F253-R256 WeakPolarHBondContact O-CB 3.28Å; F253-R256 PolarHBondContact O-N 3.34Å; M254-R256 VanDerWaalsContact C-N 3.29Å; M254-R256 PolarHBondContact O-N 3.14Å
257I77.9Confident81.1Confident38 Ų3895.6 Ų95.620%0.19544%0.44CS..  trans-106.143.6-175.761.6156.4000113.6F253 M254 F259 F260 H261F253-I257 HydrophobicContact CD1-CD1 4.02Å; F253-I257 HydrophobicContact CD1-CG1 4.41Å; F253-I257 HydrophobicContact CE1-CD1 3.42Å; F253-I257 VanDerWaalsContact CE1-CD1 3.42Å; F253-I257 HydrophobicContact CE1-CG1 4.18Å; F253-I257 HydrophobicContact CE2-CG2 4.18Å; F253-I257 HydrophobicContact CZ-CD1 3.84Å; F253-I257 HydrophobicContact CZ-CG1 4.48Å; F253-I257 HydrophobicContact CZ-CG2 4.19Å; F253-I257 WeakPolarHBondContact O-CG1 3.49Å; F253-I257 PolarHBondContact O-N 2.92Å; M254-I257 PolarHBondContact O-N 3.31Å; M254-I257 HydrophobicContact SD-CD1 3.73Å; M254-I257 HydrophobicContact SD-CG1 4.01Å; I257-F259 PolarHBondContact O-N 3.09Å; I257-F259 VanDerWaalsContact O-N 3.16Å; I257-F260 HydrophobicContact CB-CB 4.4Å; I257-F260 HydrophobicContact CB-CD2 4.07Å; I257-F260 HydrophobicContact CD1-CB 4.3Å; I257-F260 HydrophobicContact CG2-CD2 4.43Å; I257-F260 PolarHBondContact O-N 3.33Å; I257-H261 PolarHBondContact O-CD2 2.77Å; I257-H261 VanDerWaalsContact O-CD2 3.27Å
258T70.9Confident81.3Confident89 Ų8988.7 Ų88.755%0.54642%0.416SS..G310 helixtrans-57.4-30-178.148.70000114.2F260 H261T258-F260 VanDerWaalsContact C-N 3.3Å; T258-F260 PolarHBondContact O-N 3.38Å; T258-H261 PolarHBondContact O-N 2.87Å
259F76Confident81.5Confident171 Ų17186 Ų8675%0.7540%0.402SS*.G310 helixtrans-64.2-32.7174.9-175.3-101000113I257 H261I257-F259 PolarHBondContact O-N 3.09Å; I257-F259 VanDerWaalsContact O-N 3.16Å; F259-H261 VanDerWaalsContact C-N 3.32Å; F259-H261 PolarHBondContact O-N 2.79Å
260F81.6Confident81.8Confident119 Ų11983.7 Ų83.752%0.52239%0.391SS..G310 helixtrans-84.1-3.6-177.5-71.9-79000113.8I257 T258 G262 P263 L264I257-F260 HydrophobicContact CB-CB 4.4Å; I257-F260 HydrophobicContact CB-CD2 4.07Å; I257-F260 HydrophobicContact CD1-CB 4.3Å; I257-F260 HydrophobicContact CG2-CD2 4.43Å; I257-F260 PolarHBondContact O-N 3.33Å; T258-F260 VanDerWaalsContact C-N 3.3Å; T258-F260 PolarHBondContact O-N 3.38Å; F260-G262 VanDerWaalsContact C-N 3.34Å; F260-G262 PolarHBondContact O-N 3.36Å; F260-P263 WeakPolarHBondContact O-CD 3.35Å; F260-L264 WeakPolarHBondContact O-CB 3.22Å; F260-L264 PolarHBondContact O-N 3.43Å
261H81.4Confident82.2Confident23 Ų2378.6 Ų78.611%0.10638%0.379CS..Hα-helixtrans-60.5-42.8179.8-71.1-170.9000112.2M245 M254 I257 T258 F259 Q265M245-H261 HydrophobicContact CE-CB 4.25Å; M254-H261 WeakPolarHBondContact CE-CD2 3.35Å; M254-H261 PolarHBondContact O-NE2 2.96Å; I257-H261 PolarHBondContact O-CD2 2.77Å; I257-H261 VanDerWaalsContact O-CD2 3.27Å; T258-H261 PolarHBondContact O-N 2.87Å; F259-H261 VanDerWaalsContact C-N 3.32Å; F259-H261 PolarHBondContact O-N 2.79Å; H261-Q265 WeakPolarHBondContact O-CB 3.38Å; H261-Q265 VanDerWaalsContact O-CG 3.29Å; H261-Q265 WeakPolarHBondContact O-CG 3.16Å; H261-Q265 PolarHBondContact O-N 2.99Å
262G81.4Confident82.5Confident11 Ų1174.8 Ų74.811%0.11336%0.362CS..Hα-helixtrans-62.8-57.5177.600000112.6F260 L264 Q265 V266F260-G262 VanDerWaalsContact C-N 3.34Å; F260-G262 PolarHBondContact O-N 3.36Å; G262-L264 VanDerWaalsContact C-N 3.28Å; G262-L264 PolarHBondContact O-N 2.85Å; G262-Q265 PolarHBondContact O-N 3.35Å; G262-Q265 VanDerWaalsContact O-N 3.15Å; G262-V266 WeakPolarHBondContact O-CG2 3.33Å; G262-V266 PolarHBondContact O-N 3.38Å
263P86.1Confident83Confident63 Ų6366.7 Ų66.741%0.40933%0.328SS..Hα-helixtrans-54.4-41.5175-28.835.2000113.6F260 V266 I267F260-P263 WeakPolarHBondContact O-CD 3.35Å; P263-V266 PolarHBondContact O-N 2.91Å; P263-I267 VanDerWaalsContact O-CG1 3.29Å; P263-I267 WeakPolarHBondContact O-CG1 3.47Å; P263-I267 PolarHBondContact O-N 3.45Å
264L86.1Confident83.4Confident59 Ų5962.1 Ų62.131%0.30931%0.312SS..Hα-helixtrans-64-43.2177.8-172.773.6000111.7M245 M254 F260 G262 I267 M268M245-L264 HydrophobicContact SD-CD2 4.22Å; M254-L264 HydrophobicContact CE-CD2 3.28Å; M254-L264 HydrophobicContact SD-CD2 4.2Å; F260-L264 WeakPolarHBondContact O-CB 3.22Å; F260-L264 PolarHBondContact O-N 3.43Å; G262-L264 VanDerWaalsContact C-N 3.28Å; G262-L264 PolarHBondContact O-N 2.85Å; L264-I267 PolarHBondContact O-N 3.09Å; L264-M268 HydrophobicContact CD2-CE 3.78Å; L264-M268 HydrophobicContact CG-CE 3.62Å; L264-M268 HydrophobicContact CG-CG 4.47Å; L264-M268 HydrophobicContact CG-SD 4.39Å; L264-M268 WeakPolarHBondContact O-CB 3.24Å; L264-M268 WeakPolarHBondContact O-CG 3.34Å; L264-M268 PolarHBondContact O-N 3.41Å
265Q85Confident84Confident15 Ų1568.8 Ų68.87%0.0734%0.341CS..Hα-helixtrans-60.5-46.4174.9-76179.121.100111.4L105 L241 M245 H261 G262 I267 M268 V269L105-Q265 VanDerWaalsContact CB-OE1 3.23Å; L241-Q265 HydrophobicContact CD2-CB 4.38Å; M245-Q265 HydrophobicContact CE-CG 4.03Å; M245-Q265 HydrophobicContact CG-CG 3.9Å; M245-Q265 HydrophobicContact SD-CG 3.98Å; H261-Q265 WeakPolarHBondContact O-CB 3.38Å; H261-Q265 VanDerWaalsContact O-CG 3.29Å; H261-Q265 WeakPolarHBondContact O-CG 3.16Å; H261-Q265 PolarHBondContact O-N 2.99Å; G262-Q265 PolarHBondContact O-N 3.35Å; G262-Q265 VanDerWaalsContact O-N 3.15Å; Q265-I267 VanDerWaalsContact C-N 3.34Å; Q265-I267 PolarHBondContact O-N 3.05Å; Q265-M268 PolarHBondContact O-N 2.83Å; Q265-V269 VanDerWaalsContact O-CG2 3.3Å; Q265-V269 WeakPolarHBondContact O-CG2 3.09Å; Q265-V269 PolarHBondContact O-N 3.32Å
266V88.2Confident84.8Confident38 Ų3865.1 Ų65.123%0.2332%0.324CS..Hα-helixtrans-56.7-47.6176.9173.20000111M98 G262 P263 V269 G270M98-V266 HydrophobicContact CB-CG1 4.21Å; M98-V266 HydrophobicContact CG-CG1 4.25Å; M98-V266 HydrophobicContact SD-CG1 4.2Å; G262-V266 WeakPolarHBondContact O-CG2 3.33Å; G262-V266 PolarHBondContact O-N 3.38Å; P263-V266 PolarHBondContact O-N 2.91Å; V266-V269 PolarHBondContact O-N 2.88Å; V266-G270 PolarHBondContact O-N 3.01Å
267I89Confident85.4Confident113 Ų11354.5 Ų54.558%0.57928%0.284SS*.Hα-helixtrans-63.8-45.3179.6-68.8165.8000111.1P263 L264 Q265 G270 A271P263-I267 VanDerWaalsContact O-CG1 3.29Å; P263-I267 WeakPolarHBondContact O-CG1 3.47Å; P263-I267 PolarHBondContact O-N 3.45Å; L264-I267 PolarHBondContact O-N 3.09Å; Q265-I267 VanDerWaalsContact C-N 3.34Å; Q265-I267 PolarHBondContact O-N 3.05Å; I267-G270 WeakPolarHBondContact O-CA 3.35Å; I267-G270 PolarHBondContact O-N 3.11Å; I267-G270 VanDerWaalsContact O-N 3.16Å; I267-A271 PolarHBondContact O-N 3.33Å
268M88.9Confident85.9Confident34 Ų3453 Ų5317%0.16728%0.277CS..Hα-helixtrans-65.7-41.3179.5-73.6-168.1-7300112.1L241 I244 M245 L248 L264 Q265 G270 A271 F272L241-M268 HydrophobicContact CD1-CB 3.47Å; L241-M268 VanDerWaalsContact CD1-CB 3.47Å; L241-M268 HydrophobicContact CD1-CE 3.4Å; L241-M268 VanDerWaalsContact CD1-CE 3.4Å; L241-M268 HydrophobicContact CD1-CG 4.16Å; L241-M268 HydrophobicContact CD1-SD 3.63Å; L241-M268 HydrophobicContact CD2-CB 4.26Å; I244-M268 HydrophobicContact CG2-SD 4.29Å; M245-M268 HydrophobicContact CG-CE 3.92Å; M245-M268 HydrophobicContact SD-CE 3.22Å; M245-M268 WeakPolarHBondContact SD-CE 3.24Å; L248-M268 HydrophobicContact CD1-CE 4.42Å; L248-M268 HydrophobicContact CD1-SD 4.42Å; L264-M268 HydrophobicContact CD2-CE 3.78Å; L264-M268 HydrophobicContact CG-CE 3.62Å; L264-M268 HydrophobicContact CG-CG 4.47Å; L264-M268 HydrophobicContact CG-SD 4.39Å; L264-M268 WeakPolarHBondContact O-CB 3.24Å; L264-M268 WeakPolarHBondContact O-CG 3.34Å; L264-M268 PolarHBondContact O-N 3.41Å; Q265-M268 PolarHBondContact O-N 2.83Å; M268-G270 VanDerWaalsContact C-N 3.28Å; M268-G270 PolarHBondContact O-N 3.35Å; M268-A271 PolarHBondContact O-N 3.02Å; M268-F272 WeakPolarHBondContact O-CD2 3.24Å; M268-F272 PolarHBondContact O-N 3.1Å; M268-F272 VanDerWaalsContact O-N 3.09Å
269V88.4Confident86.7Confident1 Ų150 Ų501%0.00626%0.261CS..Hα-helixtrans-59.3-44.6171175.50000110.1T101 L105 L241 Q265 V266 A271 F272 L273T101-V269 HydrophobicContact CG2-CB 4.49Å; T101-V269 HydrophobicContact CG2-CG1 3.77Å; T101-V269 HydrophobicContact CG2-CG2 3.86Å; L105-V269 HydrophobicContact CD1-CG2 3.88Å; L241-V269 HydrophobicContact CD2-CB 4.36Å; L241-V269 HydrophobicContact CD2-CG2 3.23Å; Q265-V269 VanDerWaalsContact O-CG2 3.3Å; Q265-V269 WeakPolarHBondContact O-CG2 3.09Å; Q265-V269 PolarHBondContact O-N 3.32Å; V266-V269 PolarHBondContact O-N 2.88Å; V269-A271 VanDerWaalsContact C-N 3.32Å; V269-A271 PolarHBondContact O-N 3.18Å; V269-F272 WeakPolarHBondContact O-CB 3.25Å; V269-F272 PolarHBondContact O-N 2.83Å; V269-F272 VanDerWaalsContact O-N 3.11Å; V269-L273 HydrophobicContact CG1-CD1 3.71Å; V269-L273 HydrophobicContact CG1-CG 3.94Å; V269-L273 WeakPolarHBondContact O-CG 3.24Å; V269-L273 PolarHBondContact O-N 3.31Å
270G88.3Confident87.3Confident2 Ų241.9 Ų41.92%0.02123%0.226CC..Hα-helixtrans-51.5-50.417500000113V266 I267 M268 F272 L273 V274V266-G270 PolarHBondContact O-N 3.01Å; I267-G270 WeakPolarHBondContact O-CA 3.35Å; I267-G270 PolarHBondContact O-N 3.11Å; I267-G270 VanDerWaalsContact O-N 3.16Å; M268-G270 VanDerWaalsContact C-N 3.28Å; M268-G270 PolarHBondContact O-N 3.35Å; G270-F272 VanDerWaalsContact C-N 3.33Å; G270-F272 PolarHBondContact O-N 3.23Å; G270-L273 PolarHBondContact O-N 3Å; G270-V274 WeakPolarHBondContact O-CG2 3.41Å; G270-V274 PolarHBondContact O-N 3.47Å
271A90.3Very high87.4Confident53 Ų5336.6 Ų36.644%0.43820%0.204SC..Hα-helixtrans-57.8-45.4176.700000111.5I267 M268 V269 V274 F275I267-A271 PolarHBondContact O-N 3.33Å; M268-A271 PolarHBondContact O-N 3.02Å; V269-A271 VanDerWaalsContact C-N 3.32Å; V269-A271 PolarHBondContact O-N 3.18Å; A271-V274 PolarHBondContact O-N 3.02Å; A271-F275 WeakPolarHBondContact O-CD2 3.31Å
272F90.6Very high87.6Confident53 Ų5335.5 Ų35.523%0.23220%0.199CC..Hα-helixtrans-60.4-46.6174.3-75.6-65.4000112.3P236 I240 L241 I244 M268 V269 G270 V274 F275 M276P236-F272 HydrophobicContact CB-CD1 4.02Å; P236-F272 HydrophobicContact CB-CE1 4.49Å; I240-F272 HydrophobicContact CB-CZ 4.49Å; I240-F272 HydrophobicContact CG2-CZ 4.15Å; L241-F272 HydrophobicContact CB-CE2 4.38Å; L241-F272 HydrophobicContact CD1-CE2 4.45Å; I244-F272 HydrophobicContact CD1-CE2 4.36Å; I244-F272 HydrophobicContact CD1-CZ 3.99Å; M268-F272 WeakPolarHBondContact O-CD2 3.24Å; M268-F272 PolarHBondContact O-N 3.1Å; M268-F272 VanDerWaalsContact O-N 3.09Å; V269-F272 WeakPolarHBondContact O-CB 3.25Å; V269-F272 PolarHBondContact O-N 2.83Å; V269-F272 VanDerWaalsContact O-N 3.11Å; G270-F272 VanDerWaalsContact C-N 3.33Å; G270-F272 PolarHBondContact O-N 3.23Å; F272-V274 PolarHBondContact O-N 3.15Å; F272-F275 PolarHBondContact O-N 3.45Å; F272-M276 WeakPolarHBondContact O-CB 3.32Å; F272-M276 VanDerWaalsContact O-CG 3.23Å; F272-M276 WeakPolarHBondContact O-CG 3.14Å; F272-M276 PolarHBondContact O-N 2.94Å
273L88.1Confident87.8Confident16 Ų1638.3 Ų38.38%0.08421%0.211CC..Hα-helixtrans-64.7-37.6-178-71.3176.7000112.5V94 G97 M98 V269 G270 F275 M276 V277V94-L273 HydrophobicContact CG1-CB 4.26Å; V94-L273 HydrophobicContact CG2-CB 4.32Å; G97-L273 VanDerWaalsContact C-CD1 3.47Å; M98-L273 HydrophobicContact CB-CD1 4.44Å; V269-L273 HydrophobicContact CG1-CD1 3.71Å; V269-L273 HydrophobicContact CG1-CG 3.94Å; V269-L273 WeakPolarHBondContact O-CG 3.24Å; V269-L273 PolarHBondContact O-N 3.31Å; G270-L273 PolarHBondContact O-N 3Å; L273-F275 PolarHBondContact O-N 3.31Å; L273-M276 PolarHBondContact O-N 3.45Å; L273-V277 HydrophobicContact CB-CG2 4.18Å; L273-V277 HydrophobicContact CD2-CG2 4.19Å; L273-V277 VanDerWaalsContact O-CB 3.25Å; L273-V277 WeakPolarHBondContact O-CB 3.43Å; L273-V277 WeakPolarHBondContact O-CG2 3.07Å; L273-V277 PolarHBondContact O-N 2.94Å
274V88.7Confident87.7Confident55 Ų5537.5 Ų37.533%0.33320%0.201SC..Hα-helixtrans-54.7-38.7176.5167.90000111.7V94 G270 A271 F272 P278V94-V274 HydrophobicContact CG1-CG2 3.73Å; G270-V274 WeakPolarHBondContact O-CG2 3.41Å; G270-V274 PolarHBondContact O-N 3.47Å; A271-V274 PolarHBondContact O-N 3.02Å; F272-V274 PolarHBondContact O-N 3.15Å; V274-P278 WeakPolarHBondContact O-CD 3.32Å; V274-P278 WeakPolarHBondContact O-CG 3.49Å
275F89.8Confident87.4Confident150 Ų15036.8 Ų36.866%0.65820%0.2SC*.Hα-helixtrans-89.4-39.4177.8-63-71.5000112.8A271 F272 L273 P278 A279A271-F275 WeakPolarHBondContact O-CD2 3.31Å; F272-F275 PolarHBondContact O-N 3.45Å; L273-F275 PolarHBondContact O-N 3.31Å; F275-P278 WeakPolarHBondContact O-CD 3.28Å; F275-P278 WeakPolarHBondContact O-CG 3.39Å; F275-A279 VanDerWaalsContact O-CB 3.25Å; F275-A279 WeakPolarHBondContact O-CB 3.31Å; F275-A279 PolarHBondContact O-N 2.82Å
276M89.5Confident87Confident40 Ų4038.6 Ų38.620%0.19721%0.208CC..Hα-helixtrans-78.5-30.7-172.1-70.6-55.6-52.400113.8T232 P236 F272 L273 A279 A280T232-M276 HydrophobicContact CG2-CE 4.14Å; T232-M276 WeakPolarHBondContact O-CE 3.49Å; P236-M276 HydrophobicContact CB-CG 4.09Å; P236-M276 HydrophobicContact CB-SD 4.49Å; P236-M276 HydrophobicContact CG-CE 3.69Å; P236-M276 HydrophobicContact CG-CG 3.78Å; P236-M276 HydrophobicContact CG-SD 3.76Å; F272-M276 WeakPolarHBondContact O-CB 3.32Å; F272-M276 VanDerWaalsContact O-CG 3.23Å; F272-M276 WeakPolarHBondContact O-CG 3.14Å; F272-M276 PolarHBondContact O-N 2.94Å; L273-M276 PolarHBondContact O-N 3.45Å; M276-A279 PolarHBondContact O-N 2.71Å; M276-A280 WeakPolarHBondContact O-CB 3.49Å; M276-A280 PolarHBondContact O-N 3.36Å
277V87.3Confident86.6Confident1 Ų142.5 Ų42.51%0.00622%0.224CC..Hα-helixtrans-58.8-56.3175.1174.60000110.8T29 V94 M233 L273 A279 A280 C281T29-V277 HydrophobicContact CG2-CG1 3.74Å; V94-V277 HydrophobicContact CG2-CB 4.29Å; V94-V277 HydrophobicContact CG2-CG2 3.89Å; M233-V277 HydrophobicContact CE-CB 4.47Å; M233-V277 HydrophobicContact CE-CG1 4.15Å; M233-V277 HydrophobicContact CG-CB 4.48Å; M233-V277 HydrophobicContact CG-CG2 3.92Å; M233-V277 HydrophobicContact SD-CB 4.3Å; M233-V277 HydrophobicContact SD-CG1 4.28Å; M233-V277 HydrophobicContact SD-CG2 3.77Å; L273-V277 HydrophobicContact CB-CG2 4.18Å; L273-V277 HydrophobicContact CD2-CG2 4.19Å; L273-V277 VanDerWaalsContact O-CB 3.25Å; L273-V277 WeakPolarHBondContact O-CB 3.43Å; L273-V277 WeakPolarHBondContact O-CG2 3.07Å; L273-V277 PolarHBondContact O-N 2.94Å; V277-A279 PolarHBondContact O-N 3.02Å; V277-A280 PolarHBondContact O-N 3.43Å; V277-C281 PolarHBondContact O-N 2.85Å; V277-C281 VanDerWaalsContact O-N 3.1Å; V277-C281 PolarHBondContact O-SG 3.42Å
278P87.6Confident86.3Confident6 Ų637.2 Ų37.24%0.03920%0.197CC..Hα-helixtrans-69.1-33.2179.128.2-36.2000113L22 F25 A26 V274 F275 S282L22-P278 HydrophobicContact CD1-CB 4.01Å; L22-P278 HydrophobicContact CD1-CG 4.37Å; F25-P278 HydrophobicContact CB-CB 3.88Å; A26-P278 HydrophobicContact CB-CB 3.94Å; A26-P278 HydrophobicContact CB-CG 4.21Å; V274-P278 WeakPolarHBondContact O-CD 3.32Å; V274-P278 WeakPolarHBondContact O-CG 3.49Å; F275-P278 WeakPolarHBondContact O-CD 3.28Å; F275-P278 WeakPolarHBondContact O-CG 3.39Å; P278-S282 WeakPolarHBondContact O-CB 3.09Å; P278-S282 PolarHBondContact O-N 3.25Å; P278-S282 PolarHBondContact O-OG 3.29Å
279A89.1Confident86.1Confident26 Ų2638.2 Ų38.222%0.21521%0.207CC..Hα-helixtrans-64.9-43.2175.700000112.5L22 F275 M276 V277 S282 L283L22-A279 HydrophobicContact CD1-CB 4.14Å; F275-A279 VanDerWaalsContact O-CB 3.25Å; F275-A279 WeakPolarHBondContact O-CB 3.31Å; F275-A279 PolarHBondContact O-N 2.82Å; M276-A279 PolarHBondContact O-N 2.71Å; V277-A279 PolarHBondContact O-N 3.02Å; A279-S282 WeakPolarHBondContact CA-OG 3.41Å; A279-S282 PolarHBondContact O-N 2.91Å; A279-S282 PolarHBondContact O-OG 2.83Å; A279-L283 PolarHBondContact O-N 3.42Å; A279-L283 VanDerWaalsContact O-N 3.1Å
280A87.4Confident85.9Confident1 Ų138.7 Ų38.71%0.00821%0.21CC..Hα-helixtrans-69.1-38178.800000112.4S229 M233 M276 V277 S282 L283S229-A280 WeakPolarHBondContact CB-O 3.29Å; S229-A280 WeakPolarHBondContact O-CB 3.46Å; S229-A280 PolarHBondContact OG-O 2.96Å; M233-A280 HydrophobicContact CB-CB 3.62Å; M233-A280 HydrophobicContact CE-CB 3.98Å; M233-A280 HydrophobicContact CG-CB 4.18Å; M276-A280 WeakPolarHBondContact O-CB 3.49Å; M276-A280 PolarHBondContact O-N 3.36Å; V277-A280 PolarHBondContact O-N 3.43Å; A280-S282 VanDerWaalsContact C-N 3.33Å; A280-L283 WeakPolarHBondContact O-CB 3.3Å; A280-L283 PolarHBondContact O-N 3.08Å
281C84Confident85.7Confident8 Ų839.7 Ų39.75%0.05422%0.218CC..Hα-helixtrans-65.9-36.2175-68.40000112.1F25 V277 K318F25-C281 HydrophobicContact CB-CB 4.12Å; F25-C281 HydrophobicContact CD1-CB 3.68Å; F25-C281 HydrophobicContact CD2-CB 3.56Å; F25-C281 HydrophobicContact CE1-CB 3.89Å; F25-C281 HydrophobicContact CE2-CB 3.76Å; F25-C281 WeakPolarHBondContact CE2-O 3.35Å; F25-C281 HydrophobicContact CG-CB 3.5Å; F25-C281 VanDerWaalsContact CG-CB 3.5Å; F25-C281 HydrophobicContact CZ-CB 3.91Å; V277-C281 PolarHBondContact O-N 2.85Å; V277-C281 VanDerWaalsContact O-N 3.1Å; V277-C281 PolarHBondContact O-SG 3.42Å; C281-K318 PolarHBondContact O-NZ 3.46Å
282S85.7Confident85.3Confident0 Ų037.6 Ų37.60%020%0.199CC..Hα-helixtrans-81.4-11.718055.10000115.1F18 R21 P278 A279 A280 F284F18-S282 WeakPolarHBondContact CD2-O 3.44Å; F18-S282 WeakPolarHBondContact CE2-OG 3.49Å; R21-S282 PolarHBondContact NE-O 3.39Å; R21-S282 PolarHBondContact NH2-O 3.46Å; P278-S282 WeakPolarHBondContact O-CB 3.09Å; P278-S282 PolarHBondContact O-N 3.25Å; P278-S282 PolarHBondContact O-OG 3.29Å; A279-S282 WeakPolarHBondContact CA-OG 3.41Å; A279-S282 PolarHBondContact O-N 2.91Å; A279-S282 PolarHBondContact O-OG 2.83Å; A280-S282 VanDerWaalsContact C-N 3.33Å; S282-F284 VanDerWaalsContact C-N 3.27Å; S282-F284 PolarHBondContact O-N 2.96Å
283L86.3Confident84.9Confident70 Ų7038.7 Ų38.737%0.36621%0.214SC..SBendtrans-52.9-42.7-179.2-173.865.7000112.7I228 A279 A280I228-L283 HydrophobicContact CG2-CD2 4.27Å; A279-L283 PolarHBondContact O-N 3.42Å; A279-L283 VanDerWaalsContact O-N 3.1Å; A280-L283 WeakPolarHBondContact O-CB 3.3Å; A280-L283 PolarHBondContact O-N 3.08Å
284F84.5Confident84.7Confident47 Ų4744.7 Ų44.721%0.20624%0.239CC..SBendtrans-118.6139.5175.3-57.3-69.3000110.1Q225 I228 S229 S282 K318Q225-F284 HydrophobicContact CB-CB 4.35Å; Q225-F284 HydrophobicContact CB-CD1 4.42Å; Q225-F284 HydrophobicContact CB-CD2 3.64Å; Q225-F284 HydrophobicContact CB-CE2 3.98Å; Q225-F284 HydrophobicContact CB-CG 3.88Å; Q225-F284 HydrophobicContact CG-CD1 3.93Å; Q225-F284 HydrophobicContact CG-CD2 4.03Å; Q225-F284 HydrophobicContact CG-CE1 4.09Å; Q225-F284 HydrophobicContact CG-CE2 4.18Å; Q225-F284 HydrophobicContact CG-CG 3.9Å; Q225-F284 HydrophobicContact CG-CZ 4.21Å; Q225-F284 WeakPolarHBondContact O-CD2 3.36Å; Q225-F284 WeakPolarHBondContact O-CE2 3.35Å; I228-F284 HydrophobicContact CB-CE2 4.06Å; I228-F284 HydrophobicContact CB-CZ 4.48Å; I228-F284 HydrophobicContact CG2-CE2 3.91Å; I228-F284 HydrophobicContact CG2-CZ 4.1Å; S229-F284 WeakPolarHBondContact OG-CD2 3.24Å; S282-F284 VanDerWaalsContact C-N 3.27Å; S282-F284 PolarHBondContact O-N 2.96Å; F284-K318 HydrophobicContact CB-CD 4.06Å; F284-K318 PolarHBondContact O-NZ 3.5Å
285P79.8Confident84.5Confident43 Ų4342.3 Ų42.328%0.27922%0.224SC..  trans-61.6149.9177.128.6-34.6000111.1Q287 C288 K318P285-Q287 VanDerWaalsContact C-N 3.32Å; P285-Q287 WeakPolarHBondContact CB-O 3.23Å; P285-C288 PolarHBondContact O-SG 3.47Å; P285-C288 VanDerWaalsContact O-SG 3.35Å; P285-K318 VanDerWaalsContact O-CD 3.31Å; P285-K318 WeakPolarHBondContact O-CD 3.47Å
286Q74.9Confident84.3Confident54 Ų5436.8 Ų36.825%0.25220%0.201SC..SBendtrans-65.1-40.3174.9-70.9-1761.100110.8F25 N317 K318F25-Q286 HydrophobicContact CZ-CG 4.16Å; F25-Q286 VanDerWaalsContact CZ-NE2 3.29Å; Q286-N317 CarbonylContact O-C 3.52Å; Q286-N317 WeakPolarHBondContact O-CA 3.28Å; Q286-N317 PolarHBondContact O-OD1 3.4Å; Q286-K318 PolarHBondContact O-N 3.46Å
287Q80.7Confident84.1Confident119 Ų11939 Ų3956%0.55622%0.218SC*.EExtended strand (participates in β ladder)trans-96.7108.5171.4-164.3170.54.200109.4P285 Y315 F316P285-Q287 VanDerWaalsContact C-N 3.32Å; P285-Q287 WeakPolarHBondContact CB-O 3.23Å; Q287-Y315 HydrophobicContact CG-CD1 4.34Å; Q287-F316 CarbonylContact C-O 3.51Å; Q287-F316 WeakPolarHBondContact CA-O 3.44Å
288C81.9Confident83.9Confident3 Ų346.9 Ų46.92%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-97.1143.6-179.4-79.30000110.4Q225 P285 Y315 F316Q225-C288 PolarHBondContact OE1-SG 2.84Å; P285-C288 PolarHBondContact O-SG 3.47Å; P285-C288 VanDerWaalsContact O-SG 3.35Å; C288-Y315 CarbonylContact O-C 3.57Å; C288-Y315 VanDerWaalsContact O-CA 3.32Å; C288-Y315 WeakPolarHBondContact O-CA 3.45Å; C288-F316 HydrophobicContact CB-CD1 4.31Å; C288-F316 HydrophobicContact CB-CD2 4.19Å; C288-F316 HydrophobicContact CB-CE1 3.75Å; C288-F316 HydrophobicContact CB-CE2 3.65Å; C288-F316 HydrophobicContact CB-CZ 3.4Å; C288-F316 PolarHBondContact N-O 2.72Å; C288-F316 VanDerWaalsContact O-CD1 3.32Å; C288-F316 WeakPolarHBondContact O-CD1 3.32Å; C288-F316 PolarHBondContact O-N 3.38Å
289S84.5Confident83.7Confident54 Ų5447.5 Ų47.538%0.37826%0.258SS..EExtended strand (participates in β ladder)trans-98.5151.2170.963.10000112.1K221 V314K221-S289 PolarHBondContact NZ-O 2.87Å; S289-V314 CarbonylContact C-O 3.49Å; S289-V314 VanDerWaalsContact CA-O 3.25Å; S289-V314 WeakPolarHBondContact CA-O 3.26Å
290M85.1Confident83.5Confident12 Ų1251.6 Ų51.66%0.05927%0.267CS..EExtended strand (participates in β ladder)trans-141.4136.4172.2-178.3176.5-64.700109.3A218 K221 K294 L295 Y313 V314 F316A218-M290 HydrophobicContact CB-CE 4.39Å; K221-M290 HydrophobicContact CB-CE 3.73Å; K221-M290 HydrophobicContact CD-CE 3.39Å; K221-M290 HydrophobicContact CG-CE 4.19Å; M290-K294 HydrophobicContact CG-CB 4Å; M290-K294 HydrophobicContact SD-CB 4.17Å; M290-L295 HydrophobicContact SD-CD2 3.83Å; M290-Y313 WeakPolarHBondContact O-CA 3.4Å; M290-V314 HydrophobicContact CB-CG2 4.21Å; M290-V314 PolarHBondContact N-O 2.92Å; M290-V314 PolarHBondContact O-N 3.26Å; M290-F316 HydrophobicContact CB-CE1 3.99Å; M290-F316 HydrophobicContact CE-CE1 4.23Å; M290-F316 HydrophobicContact CE-CZ 4.49Å
291A84.4Confident83.3Confident23 Ų2357.3 Ų57.319%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-65.5138.7173.800000110.3S293 K294 Q312 Y313A291-S293 PolarHBondContact O-N 3.43Å; A291-S293 VanDerWaalsContact O-N 3.14Å; A291-K294 PolarHBondContact O-N 2.84Å; A291-Q312 WeakPolarHBondContact CA-O 3.29Å; A291-Y313 HydrophobicContact CB-CD1 4.28Å; A291-Y313 HydrophobicContact CB-CE1 4.09Å
292V82.5Confident83.2Confident9 Ų959.4 Ų59.46%0.05531%0.308CS..G310 helixtrans-56.4-31.7178.4169.50000111.8K294 L295 R300 V311 Q312 V314V292-K294 PolarHBondContact O-N 3.47Å; V292-K294 VanDerWaalsContact O-N 3.14Å; V292-L295 HydrophobicContact CB-CD1 4.37Å; V292-L295 HydrophobicContact CG1-CD1 4.38Å; V292-L295 HydrophobicContact CG2-CD1 4.22Å; V292-L295 WeakPolarHBondContact O-CB 3.32Å; V292-L295 PolarHBondContact O-N 2.85Å; V292-R300 HydrophobicContact CG1-CB 4.33Å; V292-R300 HydrophobicContact CG1-CG 3.94Å; V292-V311 HydrophobicContact CG2-CG1 4.16Å; V292-V311 VanDerWaalsContact CG2-O 3.3Å; V292-V311 WeakPolarHBondContact CG2-O 3.23Å; V292-Q312 PolarHBondContact N-O 3.36Å; V292-V314 HydrophobicContact CG2-CG1 3.71Å
293S81.8Confident83Confident76 Ų7659.5 Ų59.553%0.53131%0.309SS..G310 helixtrans-59.2-24.4175.159.40000114.5A291A291-S293 PolarHBondContact O-N 3.43Å; A291-S293 VanDerWaalsContact O-N 3.14Å
294K83.1Confident82.8Confident142 Ų14258.9 Ų58.962%0.61731%0.306SS*.G310 helixtrans-91-9179.2-65.7-173178.6-178.10113.1K217 M290 A291 V292K217-K294 WeakPolarHBondContact CD-O 3.24Å; K217-K294 PolarHBondContact NZ-O 2.89Å; M290-K294 HydrophobicContact CG-CB 4Å; M290-K294 HydrophobicContact SD-CB 4.17Å; A291-K294 PolarHBondContact O-N 2.84Å; V292-K294 PolarHBondContact O-N 3.47Å; V292-K294 VanDerWaalsContact O-N 3.14Å
295L84.8Confident82.5Confident4 Ų461.9 Ų61.92%0.02133%0.332CS..SBendtrans-69.6173.3178.1-64.5174.5000112.2S215 K217 M290 V292 L299 I303 V314S215-L295 WeakPolarHBondContact OG-CD2 3.18Å; K217-L295 PolarHBondContact NZ-O 2.88Å; M290-L295 HydrophobicContact SD-CD2 3.83Å; V292-L295 HydrophobicContact CB-CD1 4.37Å; V292-L295 HydrophobicContact CG1-CD1 4.38Å; V292-L295 HydrophobicContact CG2-CD1 4.22Å; V292-L295 WeakPolarHBondContact O-CB 3.32Å; V292-L295 PolarHBondContact O-N 2.85Å; L295-L299 HydrophobicContact CD1-CD2 4.2Å; L295-L299 HydrophobicContact CD1-CG 4.5Å; L295-L299 HydrophobicContact CD2-CD2 4.41Å; L295-I303 HydrophobicContact CD1-CD1 3.83Å; L295-V314 HydrophobicContact CD1-CG1 3.84Å; L295-V314 HydrophobicContact CD1-CG2 3.87Å; L295-V314 HydrophobicContact CD2-CG2 3.93Å; L295-V314 HydrophobicContact CG-CG2 4.29Å
296E85.9Confident82.4Confident35 Ų3566.8 Ų66.816%0.16435%0.35CS..  trans-60142.7169.3-64.784.5174.800110.8S215 K216 K217 E298 L299 R300S215-E296 WeakPolarHBondContact CB-OE2 3.41Å; S215-E296 PolarHBondContact OG-OE1 2.85Å; S215-E296 PolarHBondContact OG-OE2 2.91Å; K216-E296 WeakPolarHBondContact CA-OE1 3.21Å; K216-E296 WeakPolarHBondContact CB-OE1 3.49Å; K216-E296 PolarHBondContact N-OE1 3.4Å; K217-E296 HydrophobicContact CG-CG 4.42Å; K217-E296 PolarHBondContact N-OE1 2.89Å; E296-E298 VanDerWaalsContact C-N 3.31Å; E296-E298 PolarHBondContact O-N 2.86Å; E296-L299 HydrophobicContact CB-CB 4.41Å; E296-L299 PolarHBondContact O-N 2.9Å; E296-R300 WeakPolarHBondContact O-CB 3.32Å; E296-R300 PolarHBondContact O-N 2.73Å
297P85Confident82.5Confident85 Ų8569 Ų6955%0.55236%0.357SS*.Hα-helixtrans-54-45.3179.8-25.634.3000112.9L299 R300 E301P297-L299 PolarHBondContact O-N 3.2Å; P297-R300 PolarHBondContact O-N 3.44Å; P297-E301 WeakPolarHBondContact O-CB 3.09Å; P297-E301 WeakPolarHBondContact O-CG 3.39Å; P297-E301 PolarHBondContact O-N 2.9Å
298E84Confident82.1Confident167 Ų16764.8 Ų64.878%0.7835%0.346SS*.Hα-helixtrans-59.4-45.3179.9-63.1173.8-173.400112.6E296 S302E296-E298 VanDerWaalsContact C-N 3.31Å; E296-E298 PolarHBondContact O-N 2.86Å; E298-S302 WeakPolarHBondContact O-CB 3.31Å; E298-S302 PolarHBondContact O-N 3.43Å
299L82.4Confident81.7Confident20 Ų2071.3 Ų71.311%0.10538%0.38CS..Hα-helixtrans-71.9-38.3179.3-176.962.9000111.4V204 L295 E296 P297 S302 I303V204-L299 HydrophobicContact CG2-CD2 3.92Å; L295-L299 HydrophobicContact CD1-CD2 4.2Å; L295-L299 HydrophobicContact CD1-CG 4.5Å; L295-L299 HydrophobicContact CD2-CD2 4.41Å; E296-L299 HydrophobicContact CB-CB 4.41Å; E296-L299 PolarHBondContact O-N 2.9Å; P297-L299 PolarHBondContact O-N 3.2Å; L299-S302 PolarHBondContact O-N 2.9Å; L299-I303 HydrophobicContact CD1-CD1 4.27Å; L299-I303 HydrophobicContact CD1-CG1 4.48Å; L299-I303 HydrophobicContact CG-CD1 3.96Å; L299-I303 VanDerWaalsContact O-CG1 3.25Å; L299-I303 WeakPolarHBondContact O-CG1 3.3Å; L299-I303 PolarHBondContact O-N 3.07Å
300R84.4Confident81Confident111 Ų11173.2 Ų73.242%0.41939%0.394SS..Hα-helixtrans-61.1-46.8175.3170.7174.8178.1-169.6-3.4111.1V292 E296 P297 I303 L304V292-R300 HydrophobicContact CG1-CB 4.33Å; V292-R300 HydrophobicContact CG1-CG 3.94Å; E296-R300 WeakPolarHBondContact O-CB 3.32Å; E296-R300 PolarHBondContact O-N 2.73Å; P297-R300 PolarHBondContact O-N 3.44Å; R300-I303 PolarHBondContact O-N 3.25Å; R300-L304 HydrophobicContact CG-CD1 3.77Å; R300-L304 HydrophobicContact CG-CG 4.45Å; R300-L304 WeakPolarHBondContact O-CB 3.4Å; R300-L304 VanDerWaalsContact O-CG 3.26Å; R300-L304 WeakPolarHBondContact O-CG 3.18Å; R300-L304 PolarHBondContact O-N 2.98Å
301E83.4Confident80.6Confident122 Ų12273.6 Ų73.657%0.5740%0.397SS*.Hα-helixtrans-63.7-41.8178.1-74.7172.8-165.200111.4P297 I303 L304 C305P297-E301 WeakPolarHBondContact O-CB 3.09Å; P297-E301 WeakPolarHBondContact O-CG 3.39Å; P297-E301 PolarHBondContact O-N 2.9Å; E301-I303 PolarHBondContact O-N 2.82Å; E301-L304 PolarHBondContact O-N 3.01Å; E301-C305 WeakPolarHBondContact O-CB 3.2Å; E301-C305 PolarHBondContact O-N 3.31Å; E301-C305 PolarHBondContact O-SG 2.85Å
302S82.1Confident80.3Confident51 Ų5179 Ų7936%0.35742%0.418SS..Hα-helixtrans-60.3-45174.5-177.80000112.5E298 L299 C305 H306E298-S302 WeakPolarHBondContact O-CB 3.31Å; E298-S302 PolarHBondContact O-N 3.43Å; L299-S302 PolarHBondContact O-N 2.9Å; S302-C305 PolarHBondContact O-N 2.9Å; S302-H306 PolarHBondContact O-CD2 3.27Å; S302-H306 VanDerWaalsContact O-CD2 3.29Å; S302-H306 PolarHBondContact O-N 2.96Å
303I81.9Confident80.4Confident2 Ų283.8 Ų83.81%0.0144%0.436CS..Hα-helixtrans-64.1-44.4177.4-68166.3000110.7L212 L295 L299 R300 E301 C305 H306 Y307 V311 V314L212-I303 HydrophobicContact CB-CD1 4.16Å; L212-I303 HydrophobicContact CB-CG1 4.23Å; L212-I303 HydrophobicContact CD1-CD1 4.22Å; L295-I303 HydrophobicContact CD1-CD1 3.83Å; L299-I303 HydrophobicContact CD1-CD1 4.27Å; L299-I303 HydrophobicContact CD1-CG1 4.48Å; L299-I303 HydrophobicContact CG-CD1 3.96Å; L299-I303 VanDerWaalsContact O-CG1 3.25Å; L299-I303 WeakPolarHBondContact O-CG1 3.3Å; L299-I303 PolarHBondContact O-N 3.07Å; R300-I303 PolarHBondContact O-N 3.25Å; E301-I303 PolarHBondContact O-N 2.82Å; I303-C305 PolarHBondContact O-N 3.36Å; I303-H306 PolarHBondContact O-N 2.94Å; I303-Y307 WeakPolarHBondContact O-CB 3.38Å; I303-Y307 PolarHBondContact O-N 3.36Å; I303-V311 HydrophobicContact CG2-CB 4.12Å; I303-V311 HydrophobicContact CG2-CG1 4.35Å; I303-V314 HydrophobicContact CD1-CG1 4.23Å
304L82.6Confident80.6Confident57 Ų5780.2 Ų80.230%0.29841%0.411SS..Hα-helixtrans-63.7-39.5177.8-73.1167.2000112.1R300 E301 G308 D309R300-L304 HydrophobicContact CG-CD1 3.77Å; R300-L304 HydrophobicContact CG-CG 4.45Å; R300-L304 WeakPolarHBondContact O-CB 3.4Å; R300-L304 VanDerWaalsContact O-CG 3.26Å; R300-L304 WeakPolarHBondContact O-CG 3.18Å; R300-L304 PolarHBondContact O-N 2.98Å; E301-L304 PolarHBondContact O-N 3.01Å; L304-G308 WeakPolarHBondContact O-CA 3.31Å; L304-G308 PolarHBondContact O-N 2.9Å; L304-D309 WeakPolarHBondContact CD2-OD1 3.48Å
305C77.9Confident80.7Confident111 Ų11176.1 Ų76.175%0.7539%0.392SS*.Hα-helixtrans-67.4-37.9177.6-76.40000113E301 S302 I303E301-C305 WeakPolarHBondContact O-CB 3.2Å; E301-C305 PolarHBondContact O-N 3.31Å; E301-C305 PolarHBondContact O-SG 2.85Å; S302-C305 PolarHBondContact O-N 2.9Å; I303-C305 PolarHBondContact O-N 3.36Å
306H77.9Confident80.5Confident145 Ų14576 Ų7667%0.67139%0.391SS*.Hα-helixtrans-88.6-33.4-176.6-79.1-69.2000114.2S302 I303S302-H306 PolarHBondContact O-CD2 3.27Å; S302-H306 VanDerWaalsContact O-CD2 3.29Å; S302-H306 PolarHBondContact O-N 2.96Å; I303-H306 PolarHBondContact O-N 2.94Å
307Y76.4Confident80.2Confident101 Ų10179.2 Ų79.240%0.39641%0.41SS..Hα-helixtrans-123.2-5-171.2-59.6-87000113.3L212 I303 S310 V311L212-Y307 HydrophobicContact CD2-CD2 4.02Å; L212-Y307 HydrophobicContact CD2-CE2 3.61Å; I303-Y307 WeakPolarHBondContact O-CB 3.38Å; I303-Y307 PolarHBondContact O-N 3.36Å; Y307-S310 WeakPolarHBondContact O-CB 3.3Å; Y307-S310 PolarHBondContact O-OG 2.91Å; Y307-V311 HydrophobicContact CG-CG2 4.32Å
308G72.1Confident79.5Confident31 Ų3175.4 Ų75.432%0.3238%0.384SS..G310 helixtrans63.1-154.3-17600000112.9L304 S310L304-G308 WeakPolarHBondContact O-CA 3.31Å; L304-G308 PolarHBondContact O-N 2.9Å; G308-S310 PolarHBondContact O-N 2.78Å
309D73.8Confident78.7Confident139 Ų13968.6 Ų68.674%0.74336%0.358SS*.G310 helixtrans-77.77.1177.4-73.5-31.9000114L304 V311L304-D309 WeakPolarHBondContact CD2-OD1 3.48Å; D309-V311 VanDerWaalsContact C-N 3.31Å; D309-V311 PolarHBondContact O-N 3.25Å
310S70.4Confident77.5Confident94 Ų9472.4 Ų72.466%0.65738%0.378SS*.G310 helixtrans-70.3-26.6-177.168.50000113.2Y307 G308Y307-S310 WeakPolarHBondContact O-CB 3.3Å; Y307-S310 PolarHBondContact O-OG 2.91Å; G308-S310 PolarHBondContact O-N 2.78Å
311V75.6Confident77.1Confident20 Ų2070.5 Ų70.512%0.12138%0.376CS..  trans-102.899.8-179.8-175.90000109.5L212 V292 I303 Y307 D309 Y313 V314L212-V311 HydrophobicContact CD1-CG1 4Å; V292-V311 HydrophobicContact CG2-CG1 4.16Å; V292-V311 VanDerWaalsContact CG2-O 3.3Å; V292-V311 WeakPolarHBondContact CG2-O 3.23Å; I303-V311 HydrophobicContact CG2-CB 4.12Å; I303-V311 HydrophobicContact CG2-CG1 4.35Å; Y307-V311 HydrophobicContact CG-CG2 4.32Å; D309-V311 VanDerWaalsContact C-N 3.31Å; D309-V311 PolarHBondContact O-N 3.25Å; V311-Y313 WeakPolarHBondContact CG1-O 3.39Å; V311-V314 HydrophobicContact CG1-CG1 4.39Å
312Q79.1Confident76.8Confident137 Ų13767.7 Ų67.764%0.6437%0.366SS*.  trans-89.7-29.5177.3-64.4-168.25.200113A291 V292A291-Q312 WeakPolarHBondContact CA-O 3.29Å; V292-Q312 PolarHBondContact N-O 3.36Å
313Y84.4Confident76.5Confident110 Ų11068.7 Ų68.743%0.43137%0.367SS..EExtended strand (participates in β ladder)trans-127.3143.2-178.2-66-84.3000111M290 A291 V311M290-Y313 WeakPolarHBondContact O-CA 3.4Å; A291-Y313 HydrophobicContact CB-CD1 4.28Å; A291-Y313 HydrophobicContact CB-CE1 4.09Å; V311-Y313 WeakPolarHBondContact CG1-O 3.39Å
314V85.1Confident76.2Confident0 Ų072.6 Ų72.60%039%0.388CS..EExtended strand (participates in β ladder)trans-113.9151.5168.7-55.20000110.2V204 T205 L212 S289 M290 V292 L295 I303 V311V204-V314 HydrophobicContact CB-CB 4.15Å; V204-V314 HydrophobicContact CB-CG2 4.14Å; V204-V314 HydrophobicContact CG1-CG2 4.09Å; T205-V314 CarbonylContact O-C 3.56Å; T205-V314 WeakPolarHBondContact O-CA 3.35Å; L212-V314 HydrophobicContact CD1-CB 4.35Å; L212-V314 HydrophobicContact CD1-CG1 3.56Å; S289-V314 CarbonylContact C-O 3.49Å; S289-V314 VanDerWaalsContact CA-O 3.25Å; S289-V314 WeakPolarHBondContact CA-O 3.26Å; M290-V314 HydrophobicContact CB-CG2 4.21Å; M290-V314 PolarHBondContact N-O 2.92Å; M290-V314 PolarHBondContact O-N 3.26Å; V292-V314 HydrophobicContact CG2-CG1 3.71Å; L295-V314 HydrophobicContact CD1-CG1 3.84Å; L295-V314 HydrophobicContact CD1-CG2 3.87Å; L295-V314 HydrophobicContact CD2-CG2 3.93Å; L295-V314 HydrophobicContact CG-CG2 4.29Å; I303-V314 HydrophobicContact CD1-CG1 4.23Å; V311-V314 HydrophobicContact CG1-CG1 4.39Å
315Y85.3Confident75.8Confident56 Ų5673.6 Ų73.622%0.2239%0.393CS..EExtended strand (participates in β ladder)trans-114.3142.9-177.8-61.2-97.8000110V204 T205 E207 Q287 C288V204-Y315 CarbonylContact C-O 3.57Å; V204-Y315 WeakPolarHBondContact CA-O 3.25Å; T205-Y315 PolarHBondContact N-O 3.11Å; T205-Y315 PolarHBondContact O-N 3.41Å; E207-Y315 HydrophobicContact CB-CE2 4.31Å; E207-Y315 HydrophobicContact CG-CD2 4.32Å; E207-Y315 HydrophobicContact CG-CE2 3.37Å; E207-Y315 PolarHBondContact OE1-OH 2.91Å; Q287-Y315 HydrophobicContact CG-CD1 4.34Å; C288-Y315 CarbonylContact O-C 3.57Å; C288-Y315 VanDerWaalsContact O-CA 3.32Å; C288-Y315 WeakPolarHBondContact O-CA 3.45Å
316F81.6Confident75.7Confident3 Ų371.1 Ų71.11%0.01337%0.369CS..EExtended strand (participates in β ladder)trans-147.7151.1177.263.7-88.3000110.6I202 V204 A218 K221 Q287 C288 M290I202-F316 HydrophobicContact CD1-CB 3.8Å; I202-F316 HydrophobicContact CD1-CD2 3.33Å; I202-F316 HydrophobicContact CD1-CE2 4.12Å; I202-F316 HydrophobicContact CD1-CG 3.8Å; I202-F316 HydrophobicContact CG1-CB 4.41Å; V204-F316 HydrophobicContact CG1-CB 4.26Å; A218-F316 HydrophobicContact CB-CB 4.47Å; A218-F316 HydrophobicContact CB-CD1 3.88Å; A218-F316 HydrophobicContact CB-CD2 4.34Å; A218-F316 HydrophobicContact CB-CE1 4.15Å; A218-F316 HydrophobicContact CB-CG 3.97Å; A218-F316 HydrophobicContact CB-CZ 4.47Å; A218-F316 WeakPolarHBondContact O-CE2 3.3Å; K221-F316 HydrophobicContact CB-CZ 4.3Å; K221-F316 HydrophobicContact CD-CE1 4.49Å; K221-F316 HydrophobicContact CD-CZ 4.02Å; K221-F316 HydrophobicContact CG-CZ 4.22Å; Q287-F316 CarbonylContact C-O 3.51Å; Q287-F316 WeakPolarHBondContact CA-O 3.44Å; C288-F316 HydrophobicContact CB-CD1 4.31Å; C288-F316 HydrophobicContact CB-CD2 4.19Å; C288-F316 HydrophobicContact CB-CE1 3.75Å; C288-F316 HydrophobicContact CB-CE2 3.65Å; C288-F316 HydrophobicContact CB-CZ 3.4Å; C288-F316 PolarHBondContact N-O 2.72Å; C288-F316 VanDerWaalsContact O-CD1 3.32Å; C288-F316 WeakPolarHBondContact O-CD1 3.32Å; C288-F316 PolarHBondContact O-N 3.38Å; M290-F316 HydrophobicContact CB-CE1 3.99Å; M290-F316 HydrophobicContact CE-CE1 4.23Å; M290-F316 HydrophobicContact CE-CZ 4.49Å
317N79.2Confident75.5Confident102 Ų10265.8 Ų65.855%0.54535%0.348SS..EExtended strand (participates in β ladder)trans-83.2123175.7-167.6-28.7000109.9Q286 G319Q286-N317 CarbonylContact O-C 3.52Å; Q286-N317 WeakPolarHBondContact O-CA 3.28Å; Q286-N317 PolarHBondContact O-OD1 3.4Å; N317-G319 VanDerWaalsContact C-N 3.34Å; N317-G319 PolarHBondContact OD1-N 2.93Å
318K70.9Confident75.4Confident5 Ų563.1 Ų63.12%0.02234%0.344CS..  trans-74.4-23.7178.591.6176.7174.31760112.4R194 V226 C281 F284 P285 Q286R194-K318 PolarHBondContact NH1-O 2.88Å; R194-K318 PolarHBondContact NH2-O 3.38Å; V226-K318 HydrophobicContact CG2-CD 4.36Å; V226-K318 HydrophobicContact CG2-CG 4.28Å; C281-K318 PolarHBondContact O-NZ 3.46Å; F284-K318 HydrophobicContact CB-CD 4.06Å; F284-K318 PolarHBondContact O-NZ 3.5Å; P285-K318 VanDerWaalsContact O-CD 3.31Å; P285-K318 WeakPolarHBondContact O-CD 3.47Å; Q286-K318 PolarHBondContact O-N 3.46Å
319G67.1Low75.7Confident23 Ų2365.8 Ų65.824%0.23735%0.346CS..  trans79.7-171.4-167.800000114.9N317N317-G319 VanDerWaalsContact C-N 3.34Å; N317-G319 PolarHBondContact OD1-N 2.93Å
320L56.4Low75.9Confident100 Ų10059.1 Ų59.152%0.52431%0.31SS..  trans-116.80179-70.6171.9000112.6F25 R230F25-L320 HydrophobicContact CE1-CD2 3.39Å; F25-L320 HydrophobicContact CZ-CD2 3.53Å; R230-L320 PolarHBondContact NH2-OXT 2.72Å

Retrieved 320 of 320 residues in 2418.5 ms (Link to these results)

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