A0A096MLX2_PAPAN Loading...

NADPH oxidase 4

NADPH oxidase that catalyzes predominantly the reduction of oxygen to H2O2. Can also catalyze to a smaller extent, the reduction of oxygen to superoxide. May function as an oxygen sensor regulating the KCNK3/TASK-1 potassium channel and HIF1A activity. May regulate insulin signaling cascade. May play a role in apoptosis, bone resorption and lipolysaccharide-mediated activation of NFKB. May produce superoxide in the nucleus and play a role in regulating gene expression upon cell stimulation. Promotes ferroptosis, reactive oxygen species production and reduced glutathione (GSH) levels by activating NLRP3 inflammasome activation and cytokine release.

AlphaFold DB (A0A2I3LZD7), UniProt , Accession A0A096MLX2, Species PAPAN (Papio anubis, Olive baboon), Gene NOX4, Length 578 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
1M53.8Low76.6Confident176 Ų17687.3 Ų87.387%0.86743%0.426SS*.  0119.10-79.6-172.9-81.200108.2
2A68.9Low77.1Confident79 Ų7982.4 Ų82.465%0.65340%0.402SS*.  trans-73.3134.7-17400000111.6
3V76.4Confident77.4Confident96 Ų9676.8 Ų76.858%0.58238%0.379SS*.BIsolated β-bridgetrans-69.1131.5171.6176.20000108.1W5 W8V3-W5 PolarHBondContact O-N 3.12Å; V3-W8 HydrophobicContact CG1-CB 3.78Å; V3-W8 HydrophobicContact CG1-CG 4.19Å
4S80.9Confident77.5Confident15 Ų1574.9 Ų74.911%0.10537%0.373CS..  trans-72.3112.7172.8172.10000108.9R6 S7 W8 N561S4-R6 PolarHBondContact O-N 2.84Å; S4-S7 PolarHBondContact O-N 3.3Å; S4-S7 PolarHBondContact OG-N 2.98Å; S4-S7 PolarHBondContact OG-OG 2.96Å; S4-W8 WeakPolarHBondContact O-CB 3.38Å; S4-W8 PolarHBondContact O-N 3.33Å; S4-N561 PolarHBondContact N-O 3.39Å
5W79.7Confident77.9Confident181 Ų18175.1 Ų75.169%0.68637%0.371SS*.Hα-helixtrans-53.9-41.8178.1-179.5-103000111.9V3 W8 L9V3-W5 PolarHBondContact O-N 3.12Å; W5-W8 HydrophobicContact CE3-CE3 4.42Å; W5-W8 HydrophobicContact CH2-CZ3 4.28Å; W5-W8 HydrophobicContact CZ3-CE3 4.33Å; W5-W8 HydrophobicContact CZ3-CZ3 4.23Å; W5-L9 WeakPolarHBondContact O-CB 3.48Å; W5-L9 PolarHBondContact O-N 3.4Å
6R79.5Confident78.4Confident212 Ų21275.1 Ų75.180%0.837%0.37SS*.Hα-helixtrans-66-43.3179.6-67.1-176.8177.3-171.8-0.6112.3S4 A10S4-R6 PolarHBondContact O-N 2.84Å; R6-A10 WeakPolarHBondContact O-CB 3.26Å; R6-A10 PolarHBondContact O-N 2.76Å; R6-A10 VanDerWaalsContact O-N 3.08Å
7S79.8Confident79Confident7 Ų776.8 Ų76.85%0.04938%0.379CS..Hα-helixtrans-69.9-41.2178-58.70000111.6S4 A10 N11S4-S7 PolarHBondContact O-N 3.3Å; S4-S7 PolarHBondContact OG-N 2.98Å; S4-S7 PolarHBondContact OG-OG 2.96Å; S7-A10 PolarHBondContact O-N 3.03Å; S7-N11 WeakPolarHBondContact O-CB 3.49Å; S7-N11 PolarHBondContact O-N 2.87Å; S7-N11 PolarHBondContact O-ND2 3.35Å
8W83.9Confident79.4Confident78 Ų7875 Ų7530%0.29538%0.375SS..Hα-helixtrans-62.8-46176-179.586.2000111.6V3 S4 W5 A10 N11 E12 G13 H16V3-W8 HydrophobicContact CG1-CB 3.78Å; V3-W8 HydrophobicContact CG1-CG 4.19Å; S4-W8 WeakPolarHBondContact O-CB 3.38Å; S4-W8 PolarHBondContact O-N 3.33Å; W5-W8 HydrophobicContact CE3-CE3 4.42Å; W5-W8 HydrophobicContact CH2-CZ3 4.28Å; W5-W8 HydrophobicContact CZ3-CE3 4.33Å; W5-W8 HydrophobicContact CZ3-CZ3 4.23Å; W8-A10 VanDerWaalsContact C-N 3.29Å; W8-A10 PolarHBondContact O-N 3.26Å; W8-N11 PolarHBondContact O-N 3.01Å; W8-N11 VanDerWaalsContact O-N 3.13Å; W8-E12 HydrophobicContact CZ2-CB 4.39Å; W8-E12 PolarHBondContact O-N 3.41Å; W8-G13 PolarHBondContact O-N 3.22Å; W8-H16 AromaticContact CZ2-CD2 3.75Å
9L82.9Confident79.9Confident83 Ų8374.6 Ų74.644%0.43537%0.374SS..Iπ-helixtrans-62-37.5176.7-17073.2000111.7W5 N11 G13W5-L9 WeakPolarHBondContact O-CB 3.48Å; W5-L9 PolarHBondContact O-N 3.4Å; L9-N11 VanDerWaalsContact C-N 3.34Å; L9-G13 VanDerWaalsContact O-CA 3.3Å; L9-G13 WeakPolarHBondContact O-CA 3.27Å; L9-G13 PolarHBondContact O-N 3.08Å; L9-G13 VanDerWaalsContact O-N 3.08Å
10A77.6Confident80.5Confident13 Ų1376.2 Ų76.211%0.10738%0.383CS..Iπ-helixtrans-69.1-28.7176.300000113.5R6 S7 W8 R96R6-A10 WeakPolarHBondContact O-CB 3.26Å; R6-A10 PolarHBondContact O-N 2.76Å; R6-A10 VanDerWaalsContact O-N 3.08Å; S7-A10 PolarHBondContact O-N 3.03Å; W8-A10 VanDerWaalsContact C-N 3.29Å; W8-A10 PolarHBondContact O-N 3.26Å; A10-R96 PolarHBondContact O-NH1 3.37Å
11N79.7Confident81Confident20 Ų2076.9 Ų76.911%0.10739%0.387CS..Iπ-helixtrans-95.5-42.7-176.9-73.4-35.1000113.7S7 W8 L9 R96 N561 F570 E571 Y572S7-N11 WeakPolarHBondContact O-CB 3.49Å; S7-N11 PolarHBondContact O-N 2.87Å; S7-N11 PolarHBondContact O-ND2 3.35Å; W8-N11 PolarHBondContact O-N 3.01Å; W8-N11 VanDerWaalsContact O-N 3.13Å; L9-N11 VanDerWaalsContact C-N 3.34Å; N11-R96 PolarHBondContact OD1-NH2 2.92Å; N11-N561 PolarHBondContact ND2-OD1 3.26Å; N11-F570 PolarHBondContact ND2-O 2.98Å; N11-F570 VanDerWaalsContact ND2-O 3.1Å; N11-E571 WeakPolarHBondContact OD1-CA 3.36Å; N11-Y572 PolarHBondContact OD1-N 3.19Å
12E82.5Confident83Confident29 Ų2969.4 Ų69.414%0.13635%0.349CS..Iπ-helixtrans-117.3-18.1-172.9-62.9-65.9149.500113.2W8 V14 K15 H16 H557W8-E12 HydrophobicContact CZ2-CB 4.39Å; W8-E12 PolarHBondContact O-N 3.41Å; E12-V14 PolarHBondContact O-N 3.25Å; E12-K15 WeakPolarHBondContact O-CB 3.49Å; E12-K15 PolarHBondContact O-N 3.46Å; E12-K15 IonicContact OE2-NZ 2.76Å; E12-K15 PolarHBondContact OE2-NZ 3.08Å; E12-H16 PolarHBondContact O-CD2 3.48Å; E12-H16 VanDerWaalsContact O-CD2 3.25Å; E12-H16 PolarHBondContact O-N 3.09Å; E12-H557 IonicContact OE1-CD2 2.9Å; E12-H557 IonicContact OE1-CE1 2.72Å; E12-H557 IonicContact OE1-NE2 3.19Å; E12-H557 PolarHBondContact OE1-NE2 2.62Å
13G80.8Confident84.2Confident10 Ų1069.9 Ų69.910%0.10334%0.341CS..Iπ-helixtrans-56.4-47-17000000114.3W8 L9 K15 H16 L17W8-G13 PolarHBondContact O-N 3.22Å; L9-G13 VanDerWaalsContact O-CA 3.3Å; L9-G13 WeakPolarHBondContact O-CA 3.27Å; L9-G13 PolarHBondContact O-N 3.08Å; L9-G13 VanDerWaalsContact O-N 3.08Å; G13-K15 PolarHBondContact O-N 3.41Å; G13-H16 PolarHBondContact O-N 3.12Å; G13-L17 WeakPolarHBondContact O-CB 3.44Å; G13-L17 PolarHBondContact O-N 3.5Å
14V79.2Confident85.1Confident49 Ų4967.7 Ų67.730%0.29733%0.329SS..Hα-helixtrans-66.9-37.4-178.4-1790000112.1E12 L17 C18 R93 L97E12-V14 PolarHBondContact O-N 3.25Å; V14-L17 PolarHBondContact O-N 3.28Å; V14-C18 WeakPolarHBondContact O-CB 3.35Å; V14-C18 PolarHBondContact O-N 3.16Å; V14-R93 HydrophobicContact CG2-CB 4.17Å; V14-L97 HydrophobicContact CG1-CB 4.12Å; V14-L97 HydrophobicContact CG1-CD1 4.31Å; V14-L97 HydrophobicContact CG1-CD2 4.14Å; V14-L97 HydrophobicContact CG1-CG 4.42Å
15K83.6Confident85.7Confident78 Ų7871.3 Ų71.334%0.33935%0.346SS..Hα-helixtrans-63.8-46.3176.1169.4-172.2151.1-151.20110.5E12 G13 C18 L19E12-K15 WeakPolarHBondContact O-CB 3.49Å; E12-K15 PolarHBondContact O-N 3.46Å; E12-K15 IonicContact OE2-NZ 2.76Å; E12-K15 PolarHBondContact OE2-NZ 3.08Å; G13-K15 PolarHBondContact O-N 3.41Å; K15-C18 PolarHBondContact O-N 3.14Å; K15-L19 WeakPolarHBondContact O-CB 3.1Å; K15-L19 PolarHBondContact O-N 3.05Å
16H85.8Confident86.5Confident76 Ų7663 Ų6335%0.35232%0.315SS..Hα-helixtrans-68.7-36.3178-74.4-67.7000112.6W8 E12 G13 L19 L20W8-H16 AromaticContact CZ2-CD2 3.75Å; E12-H16 PolarHBondContact O-CD2 3.48Å; E12-H16 VanDerWaalsContact O-CD2 3.25Å; E12-H16 PolarHBondContact O-N 3.09Å; G13-H16 PolarHBondContact O-N 3.12Å; H16-L19 PolarHBondContact O-N 3.22Å; H16-L20 VanDerWaalsContact O-CB 3.26Å; H16-L20 WeakPolarHBondContact O-CB 3.42Å; H16-L20 PolarHBondContact O-N 2.93Å
17L87.6Confident87.3Confident103 Ų10357 Ų5754%0.53930%0.302SS..Hα-helixtrans-61.1-47.9173.918063.4000111.3G13 V14 L19 L20 I21G13-L17 WeakPolarHBondContact O-CB 3.44Å; G13-L17 PolarHBondContact O-N 3.5Å; V14-L17 PolarHBondContact O-N 3.28Å; L17-L19 PolarHBondContact O-N 2.92Å; L17-L20 PolarHBondContact O-N 3.41Å; L17-I21 HydrophobicContact CD1-CD1 4.25Å; L17-I21 HydrophobicContact CG-CD1 4.07Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.45Å; L17-I21 PolarHBondContact O-N 3.43Å
18C86.8Confident88.1Confident45 Ų4562.5 Ų62.530%0.30433%0.33SS..Hα-helixtrans-61.3-43.9176.6-173.70000111.8V14 K15 L20 I21 W22 L97V14-C18 WeakPolarHBondContact O-CB 3.35Å; V14-C18 PolarHBondContact O-N 3.16Å; K15-C18 PolarHBondContact O-N 3.14Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 2.74Å; C18-I21 PolarHBondContact O-N 2.82Å; C18-W22 WeakPolarHBondContact O-CB 3.47Å; C18-W22 PolarHBondContact O-N 3.44Å; C18-L97 HydrophobicContact CB-CD1 3.9Å; C18-L97 HydrophobicContact CB-CD2 4.38Å
19L88.6Confident88.6Confident68 Ų6860.8 Ų60.836%0.35633%0.326SS..Hα-helixtrans-61.1-41.7175.2-172108.4000111.8K15 H16 L17 W22 L23 T107K15-L19 WeakPolarHBondContact O-CB 3.1Å; K15-L19 PolarHBondContact O-N 3.05Å; H16-L19 PolarHBondContact O-N 3.22Å; L17-L19 PolarHBondContact O-N 2.92Å; L19-W22 PolarHBondContact O-N 3.2Å; L19-L23 VanDerWaalsContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 PolarHBondContact O-N 2.98Å; L19-T107 HydrophobicContact CD1-CG2 4.21Å
20L91.4Very high89.3Confident105 Ų10559 Ų5955%0.5532%0.315SS..Hα-helixtrans-66.9-41.4178.8-177.9142.4000111.6H16 L17 C18 L23 S24H16-L20 VanDerWaalsContact O-CB 3.26Å; H16-L20 WeakPolarHBondContact O-CB 3.42Å; H16-L20 PolarHBondContact O-N 2.93Å; L17-L20 PolarHBondContact O-N 3.41Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 2.74Å; L20-L23 PolarHBondContact O-N 3.03Å; L20-S24 VanDerWaalsContact O-CB 3.28Å; L20-S24 WeakPolarHBondContact O-CB 3.35Å; L20-S24 PolarHBondContact O-N 3.37Å; L20-S24 PolarHBondContact O-OG 3.27Å
21I92.8Very high90.2Very high91 Ų9165.4 Ų65.447%0.46734%0.336SS..Hα-helixtrans-61-50.9174.3-69.1165.3000109.9L17 C18 L23 S24 M25L17-I21 HydrophobicContact CD1-CD1 4.25Å; L17-I21 HydrophobicContact CG-CD1 4.07Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.45Å; L17-I21 PolarHBondContact O-N 3.43Å; C18-I21 PolarHBondContact O-N 2.82Å; I21-L23 PolarHBondContact O-N 3.19Å; I21-S24 PolarHBondContact O-N 3.33Å; I21-M25 HydrophobicContact CG2-SD 4.22Å; I21-M25 WeakPolarHBondContact O-CG 3.45Å; I21-M25 PolarHBondContact O-N 3.11Å
22W94.6Very high90.9Very high19 Ų1971.9 Ų71.97%0.07236%0.364CS..Hα-helixtrans-60.4-44.3178.1166.684.6000111.9C18 L19 S24 M25 N26 N67 F104 T107 T111C18-W22 WeakPolarHBondContact O-CB 3.47Å; C18-W22 PolarHBondContact O-N 3.44Å; L19-W22 PolarHBondContact O-N 3.2Å; W22-S24 PolarHBondContact O-N 2.78Å; W22-M25 PolarHBondContact O-N 3.43Å; W22-N26 PolarHBondContact NE1-ND2 3.15Å; W22-N26 VanDerWaalsContact NE1-ND2 3.19Å; W22-N26 PolarHBondContact O-N 3.15Å; W22-N26 PolarHBondContact O-ND2 3.31Å; W22-N67 VanDerWaalsContact CZ2-OD1 3.25Å; W22-N67 WeakPolarHBondContact CZ2-OD1 3.36Å; W22-N67 PolarHBondContact NE1-OD1 2.97Å; W22-F104 HydrophobicContact CB-CE2 4.14Å; W22-F104 AromaticContact CD1-CE2 3.77Å; W22-F104 AromaticContact CD1-CZ 3.71Å; W22-F104 HydrophobicContact CD2-CE2 4.18Å; W22-F104 AromaticContact CG-CE2 3.75Å; W22-F104 HydrophobicContact CG-CE2 3.75Å; W22-F104 HydrophobicContact CG-CZ 4.15Å; W22-T107 HydrophobicContact CH2-CG2 3.86Å; W22-T107 HydrophobicContact CZ3-CG2 3.92Å; W22-T111 HydrophobicContact CH2-CG2 4.12Å; W22-T111 WeakPolarHBondContact CH2-OG1 3.25Å; W22-T111 HydrophobicContact CZ2-CG2 3.99Å; W22-T111 WeakPolarHBondContact CZ2-OG1 3.39Å
23L94.3Very high91.5Very high90 Ų9071.4 Ų71.447%0.47136%0.363SS..Hα-helixtrans-62.8-43.9177.5-178.266000111.2L19 L20 I21 M25 N26 V27L19-L23 VanDerWaalsContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.42Å; L19-L23 PolarHBondContact O-N 2.98Å; L20-L23 PolarHBondContact O-N 3.03Å; I21-L23 PolarHBondContact O-N 3.19Å; L23-M25 VanDerWaalsContact C-N 3.33Å; L23-M25 PolarHBondContact O-N 3.49Å; L23-N26 PolarHBondContact O-N 3.07Å; L23-V27 WeakPolarHBondContact O-CG2 3.5Å; L23-V27 PolarHBondContact O-N 3.38Å
24S94.7Very high92.2Very high50 Ų5072.5 Ų72.535%0.3537%0.365SS..Hα-helixtrans-60.9-42.9177.2-57.20000111.1L20 I21 W22 N26 V27 L28L20-S24 VanDerWaalsContact O-CB 3.28Å; L20-S24 WeakPolarHBondContact O-CB 3.35Å; L20-S24 PolarHBondContact O-N 3.37Å; L20-S24 PolarHBondContact O-OG 3.27Å; I21-S24 PolarHBondContact O-N 3.33Å; W22-S24 PolarHBondContact O-N 2.78Å; S24-N26 VanDerWaalsContact C-N 3.34Å; S24-N26 PolarHBondContact O-N 2.91Å; S24-V27 PolarHBondContact O-N 2.74Å; S24-L28 VanDerWaalsContact O-CB 3.27Å; S24-L28 WeakPolarHBondContact O-CB 3.12Å; S24-L28 WeakPolarHBondContact O-CG 3.32Å; S24-L28 PolarHBondContact O-N 3.28Å
25M95Very high92.9Very high91 Ų9172.8 Ų72.845%0.44836%0.364SS..Hα-helixtrans-59.5-43.2174.6-71.4175.869.100112.1I21 W22 L23 L29 L66I21-M25 HydrophobicContact CG2-SD 4.22Å; I21-M25 WeakPolarHBondContact O-CG 3.45Å; I21-M25 PolarHBondContact O-N 3.11Å; W22-M25 PolarHBondContact O-N 3.43Å; L23-M25 VanDerWaalsContact C-N 3.33Å; L23-M25 PolarHBondContact O-N 3.49Å; M25-L29 WeakPolarHBondContact O-CB 3.36Å; M25-L29 VanDerWaalsContact O-CG 3.26Å; M25-L29 WeakPolarHBondContact O-CG 3.39Å; M25-L29 PolarHBondContact O-N 3.49Å; M25-L66 HydrophobicContact CB-CD2 4.28Å; M25-L66 HydrophobicContact CE-CD1 4.49Å
26N96.1Very high93.4Very high6 Ų673 Ų733%0.03237%0.368CS..Hα-helixtrans-63.7-46.4177.4-76.9-77.6000112.2W22 L23 S24 L29 F30 V63 N67W22-N26 PolarHBondContact NE1-ND2 3.15Å; W22-N26 VanDerWaalsContact NE1-ND2 3.19Å; W22-N26 PolarHBondContact O-N 3.15Å; W22-N26 PolarHBondContact O-ND2 3.31Å; L23-N26 PolarHBondContact O-N 3.07Å; S24-N26 VanDerWaalsContact C-N 3.34Å; S24-N26 PolarHBondContact O-N 2.91Å; N26-L29 PolarHBondContact O-N 2.96Å; N26-F30 WeakPolarHBondContact O-CB 3.46Å; N26-F30 PolarHBondContact O-N 2.86Å; N26-V63 WeakPolarHBondContact OD1-CG1 3.27Å; N26-N67 PolarHBondContact OD1-ND2 3.01Å
27V95.8Very high93.6Very high87 Ų8769.9 Ų69.953%0.52735%0.354SS..Hα-helixtrans-65-45.1179.4173.50000111.1L23 S24 F30 W31L23-V27 WeakPolarHBondContact O-CG2 3.5Å; L23-V27 PolarHBondContact O-N 3.38Å; S24-V27 PolarHBondContact O-N 2.74Å; V27-F30 PolarHBondContact O-N 3.25Å; V27-W31 WeakPolarHBondContact O-CB 3.46Å; V27-W31 PolarHBondContact O-N 3.41Å
28L96.4Very high93.8Very high121 Ų12167.6 Ų67.663%0.63434%0.342SS*.Hα-helixtrans-63.1-43.4178.5-72172000111.7S24 K32S24-L28 VanDerWaalsContact O-CB 3.27Å; S24-L28 WeakPolarHBondContact O-CB 3.12Å; S24-L28 WeakPolarHBondContact O-CG 3.32Å; S24-L28 PolarHBondContact O-N 3.28Å; L28-K32 WeakPolarHBondContact O-CB 3.26Å; L28-K32 PolarHBondContact O-N 3.4Å
29L95.1Very high94Very high42 Ų4272.1 Ų72.122%0.2236%0.359CS..Hα-helixtrans-64.5-44.3175.7-75.8174000111.7M25 N26 T33 L66 W286M25-L29 WeakPolarHBondContact O-CB 3.36Å; M25-L29 VanDerWaalsContact O-CG 3.26Å; M25-L29 WeakPolarHBondContact O-CG 3.39Å; M25-L29 PolarHBondContact O-N 3.49Å; N26-L29 PolarHBondContact O-N 2.96Å; L29-T33 WeakPolarHBondContact O-CB 3.38Å; L29-T33 PolarHBondContact O-N 2.93Å; L29-T33 PolarHBondContact O-OG1 3.25Å; L29-T33 VanDerWaalsContact O-OG1 3.11Å; L29-L66 HydrophobicContact CD1-CB 4.13Å; L29-L66 HydrophobicContact CD1-CD2 3.62Å; L29-L66 HydrophobicContact CD1-CG 4.3Å; L29-W286 HydrophobicContact CD1-CH2 4.48Å
30F96.6Very high94Very high45 Ų4569.5 Ų69.520%0.19735%0.348CS..Hα-helixtrans-57.7-51.9176.7-173.6-85.7000110.8N26 V27 T33 F34 L56 A59 V63 F115N26-F30 WeakPolarHBondContact O-CB 3.46Å; N26-F30 PolarHBondContact O-N 2.86Å; V27-F30 PolarHBondContact O-N 3.25Å; F30-T33 PolarHBondContact O-N 2.77Å; F30-F34 HydrophobicContact CE1-CD2 4.4Å; F30-F34 WeakPolarHBondContact O-CB 3.23Å; F30-F34 PolarHBondContact O-N 3.02Å; F30-L56 HydrophobicContact CZ-CD2 3.97Å; F30-A59 HydrophobicContact CD1-CB 4.15Å; F30-A59 HydrophobicContact CD2-CB 3.56Å; F30-A59 HydrophobicContact CE1-CB 4.1Å; F30-A59 HydrophobicContact CE2-CB 3.51Å; F30-A59 HydrophobicContact CG-CB 3.9Å; F30-A59 HydrophobicContact CZ-CB 3.79Å; F30-A59 WeakPolarHBondContact O-CB 3.5Å; F30-V63 HydrophobicContact CB-CG2 3.77Å; F30-V63 HydrophobicContact CD2-CG2 3.95Å; F30-V63 HydrophobicContact CG-CG2 4.37Å; F30-F115 HydrophobicContact CD2-CD1 4.43Å; F30-F115 AromaticContact CD2-CE1 3.7Å; F30-F115 HydrophobicContact CD2-CE1 3.7Å; F30-F115 HydrophobicContact CE2-CD1 4.41Å; F30-F115 AromaticContact CE2-CE1 3.83Å; F30-F115 HydrophobicContact CE2-CE1 3.83Å
31W96.2Very high93.6Very high148 Ų14867.8 Ų67.856%0.56134%0.343SS*.Hα-helixtrans-67-42.6-177-167.2-105.6000112.5V27 T33 F34 L35V27-W31 WeakPolarHBondContact O-CB 3.46Å; V27-W31 PolarHBondContact O-N 3.41Å; W31-T33 PolarHBondContact O-N 3.3Å; W31-F34 PolarHBondContact O-N 2.93Å; W31-L35 HydrophobicContact CZ2-CD2 4.31Å; W31-L35 VanDerWaalsContact NE1-CD1 3.3Å; W31-L35 WeakPolarHBondContact O-CB 3.49Å; W31-L35 WeakPolarHBondContact O-CG 3.48Å; W31-L35 PolarHBondContact O-N 3.24Å
32K95.9Very high93.3Very high157 Ų15767.1 Ų67.168%0.68334%0.338SS*.Hα-helixtrans-58.8-48.8176.1-178.2-177177-177.80111.2L28 L36L28-K32 WeakPolarHBondContact O-CB 3.26Å; L28-K32 PolarHBondContact O-N 3.4Å; K32-L36 WeakPolarHBondContact O-CB 3.37Å; K32-L36 PolarHBondContact O-N 2.92Å
33T93.8Very high92.9Very high19 Ų1967 Ų6712%0.11734%0.338CS..Hα-helixtrans-67.3-40.1178.1-59.30000111L29 F30 W31 L35 L36 Y37 R58 S62L29-T33 WeakPolarHBondContact O-CB 3.38Å; L29-T33 PolarHBondContact O-N 2.93Å; L29-T33 PolarHBondContact O-OG1 3.25Å; L29-T33 VanDerWaalsContact O-OG1 3.11Å; F30-T33 PolarHBondContact O-N 2.77Å; W31-T33 PolarHBondContact O-N 3.3Å; T33-L35 PolarHBondContact O-N 3.41Å; T33-L36 PolarHBondContact O-N 3Å; T33-Y37 HydrophobicContact CG2-CD2 3.73Å; T33-Y37 HydrophobicContact CG2-CE2 3.77Å; T33-Y37 WeakPolarHBondContact O-CD2 3.37Å; T33-Y37 PolarHBondContact O-N 3.32Å; T33-Y37 VanDerWaalsContact O-N 3.13Å; T33-R58 HydrophobicContact CG2-CB 3.97Å; T33-S62 PolarHBondContact OG1-OG 3.48Å
34F95.8Very high92.4Very high33 Ų3365.7 Ų65.715%0.14533%0.329CS..Hα-helixtrans-58.4-49.5177.1-175.4-87000111.7F30 W31 L36 Y37 N38 L52 C55 L56 A59F30-F34 HydrophobicContact CE1-CD2 4.4Å; F30-F34 WeakPolarHBondContact O-CB 3.23Å; F30-F34 PolarHBondContact O-N 3.02Å; W31-F34 PolarHBondContact O-N 2.93Å; F34-L36 PolarHBondContact O-N 3.37Å; F34-Y37 PolarHBondContact O-N 3.23Å; F34-N38 HydrophobicContact CE1-CB 4.45Å; F34-N38 VanDerWaalsContact O-CB 3.26Å; F34-N38 WeakPolarHBondContact O-CB 3.49Å; F34-N38 PolarHBondContact O-N 3.33Å; F34-L52 HydrophobicContact CZ-CD2 4.28Å; F34-C55 HydrophobicContact CD2-CB 3.56Å; F34-C55 HydrophobicContact CE2-CB 3.47Å; F34-C55 VanDerWaalsContact CE2-CB 3.47Å; F34-C55 HydrophobicContact CG-CB 4.24Å; F34-C55 HydrophobicContact CZ-CB 4.09Å; F34-L56 HydrophobicContact CD2-CD2 4.33Å; F34-L56 HydrophobicContact CE2-CD2 4.02Å; F34-L56 HydrophobicContact CE2-CG 4.34Å; F34-A59 HydrophobicContact CB-CB 4.04Å
35L94.2Very high91.9Very high54 Ų5464.2 Ų64.228%0.28332%0.316SS..Hα-helixtrans-63.1-40.5177.4-72.3-179.4000112.2W31 T33 Y37 N38 Q39W31-L35 HydrophobicContact CZ2-CD2 4.31Å; W31-L35 VanDerWaalsContact NE1-CD1 3.3Å; W31-L35 WeakPolarHBondContact O-CB 3.49Å; W31-L35 WeakPolarHBondContact O-CG 3.48Å; W31-L35 PolarHBondContact O-N 3.24Å; T33-L35 PolarHBondContact O-N 3.41Å; L35-Y37 VanDerWaalsContact C-N 3.33Å; L35-Y37 PolarHBondContact O-N 2.92Å; L35-N38 PolarHBondContact O-N 3.19Å; L35-Q39 PolarHBondContact O-N 3.28Å
36L93Very high91.4Very high82 Ų8260.1 Ų60.143%0.42930%0.296SS..Hα-helixtrans-57.6-44.7177.4179.665.1000112.1K32 T33 F34 G40 Y43K32-L36 WeakPolarHBondContact O-CB 3.37Å; K32-L36 PolarHBondContact O-N 2.92Å; T33-L36 PolarHBondContact O-N 3Å; F34-L36 PolarHBondContact O-N 3.37Å; L36-G40 WeakPolarHBondContact O-CA 3.39Å; L36-G40 PolarHBondContact O-N 2.93Å; L36-Y43 HydrophobicContact CD1-CE2 4.39Å; L36-Y43 HydrophobicContact CD2-CE2 4.46Å; L36-Y43 HydrophobicContact CG-CE2 4.09Å
37Y91.1Very high91.1Very high11 Ų1161.8 Ų61.84%0.04330%0.303CS..Hα-helixtrans-82.4-13.8179.8-77.8-82.5000113.9T33 F34 L35 Y43 H47 L54 R58T33-Y37 HydrophobicContact CG2-CD2 3.73Å; T33-Y37 HydrophobicContact CG2-CE2 3.77Å; T33-Y37 WeakPolarHBondContact O-CD2 3.37Å; T33-Y37 PolarHBondContact O-N 3.32Å; T33-Y37 VanDerWaalsContact O-N 3.13Å; F34-Y37 PolarHBondContact O-N 3.23Å; L35-Y37 VanDerWaalsContact C-N 3.33Å; L35-Y37 PolarHBondContact O-N 2.92Å; Y37-Y43 AromaticContact CD1-CD1 3.66Å; Y37-Y43 HydrophobicContact CD1-CD1 3.66Å; Y37-Y43 HydrophobicContact CD1-CD2 4.06Å; Y37-Y43 AromaticContact CD1-CE1 3.95Å; Y37-Y43 HydrophobicContact CD1-CE1 3.95Å; Y37-Y43 HydrophobicContact CD1-CE2 4.38Å; Y37-Y43 AromaticContact CD1-CG 3.7Å; Y37-Y43 HydrophobicContact CD1-CG 3.7Å; Y37-Y43 AromaticContact CE1-CD1 3.41Å; Y37-Y43 HydrophobicContact CE1-CD1 3.41Å; Y37-Y43 VanDerWaalsContact CE1-CD1 3.41Å; Y37-Y43 HydrophobicContact CE1-CD2 4.2Å; Y37-Y43 AromaticContact CE1-CE1 3.23Å; Y37-Y43 HydrophobicContact CE1-CE1 3.23Å; Y37-Y43 HydrophobicContact CE1-CE2 4.11Å; Y37-Y43 AromaticContact CE1-CG 3.89Å; Y37-Y43 HydrophobicContact CE1-CG 3.89Å; Y37-Y43 AromaticContact CE1-CZ 3.64Å; Y37-Y43 AromaticContact CZ-CE1 3.87Å; Y37-Y43 AromaticContact CZ-CZ 3.87Å; Y37-H47 PolarHBondContact O-ND1 2.85Å; Y37-L54 HydrophobicContact CD1-CD1 4.17Å; Y37-L54 HydrophobicContact CD1-CD2 4.01Å; Y37-L54 HydrophobicContact CD1-CG 3.99Å; Y37-L54 HydrophobicContact CE1-CD1 4.5Å; Y37-R58 HydrophobicContact CD1-CG 4.03Å; Y37-R58 HydrophobicContact CD2-CB 3.53Å; Y37-R58 HydrophobicContact CD2-CG 3.9Å; Y37-R58 HydrophobicContact CE1-CG 3.85Å; Y37-R58 HydrophobicContact CE2-CB 3.5Å; Y37-R58 HydrophobicContact CE2-CG 3.73Å; Y37-R58 HydrophobicContact CG-CB 4.09Å; Y37-R58 HydrophobicContact CG-CG 4.07Å; Y37-R58 VanDerWaalsContact CZ-NE 3.34Å; Y37-R58 PolarHBondContact OH-NE 2.8Å; Y37-R58 PolarHBondContact OH-NH2 3.36Å
38N92Very high90.6Very high56 Ų5663.5 Ų63.530%0.29931%0.306SS..Hα-helixtrans-91.9-37.7177.8-170.268.2000112.6F34 L35 H47F34-N38 HydrophobicContact CE1-CB 4.45Å; F34-N38 VanDerWaalsContact O-CB 3.26Å; F34-N38 WeakPolarHBondContact O-CB 3.49Å; F34-N38 PolarHBondContact O-N 3.33Å; L35-N38 PolarHBondContact O-N 3.19Å; N38-H47 PolarHBondContact OD1-CE1 3.03Å; N38-H47 VanDerWaalsContact OD1-CE1 3.23Å
39Q90.8Very high90.1Very high140 Ų14058.5 Ų58.565%0.65428%0.279SS*.Hα-helixtrans-117.6-10.7-173.2-63.7175.7-14.200113.3L35L35-Q39 PolarHBondContact O-N 3.28Å
40G87.9Confident89.8Confident12 Ų1256.6 Ų56.612%0.12427%0.269CS..  trans-67.3128.1-177.600000111.9L36 E42 Y43L36-G40 WeakPolarHBondContact O-CA 3.39Å; L36-G40 PolarHBondContact O-N 2.93Å; G40-E42 PolarHBondContact O-N 3.18Å; G40-Y43 PolarHBondContact O-N 3.31Å; G40-Y43 VanDerWaalsContact O-N 3.16Å
41P83.8Confident89.5Confident70 Ų7055.6 Ų55.646%0.45527%0.272SS..G310 helixtrans-62.9-32.9-17925.1-33.5000112.2Y43 H44 L219 P224P41-Y43 PolarHBondContact O-N 3.13Å; P41-H44 WeakPolarHBondContact O-CB 3.46Å; P41-H44 PolarHBondContact O-N 2.86Å; P41-L219 HydrophobicContact CB-CD1 4.27Å; P41-L219 HydrophobicContact CB-CD2 4.16Å; P41-L219 HydrophobicContact CG-CD1 4.04Å; P41-P224 HydrophobicContact CB-CG 3.88Å
42E85.9Confident89.3Confident77 Ų7753.7 Ų53.736%0.3627%0.272SS..G310 helixtrans-59.1-25.7177.1-61174.2-176.300114G40 Q216 L219G40-E42 PolarHBondContact O-N 3.18Å; E42-Q216 PolarHBondContact O-N 3.26Å; E42-L219 HydrophobicContact CB-CD1 4.47Å; E42-L219 HydrophobicContact CG-CD1 3.51Å; E42-L219 HydrophobicContact CG-CG 4.43Å
43Y86.3Confident89.1Confident16 Ų1646.5 Ų46.56%0.06324%0.242CC..G310 helixtrans-110.46.7-174.6-58.4-73.7000112.8L36 Y37 G40 P41 Y45 L46 H47 Y215 N279L36-Y43 HydrophobicContact CD1-CE2 4.39Å; L36-Y43 HydrophobicContact CD2-CE2 4.46Å; L36-Y43 HydrophobicContact CG-CE2 4.09Å; Y37-Y43 AromaticContact CD1-CD1 3.66Å; Y37-Y43 HydrophobicContact CD1-CD1 3.66Å; Y37-Y43 HydrophobicContact CD1-CD2 4.06Å; Y37-Y43 AromaticContact CD1-CE1 3.95Å; Y37-Y43 HydrophobicContact CD1-CE1 3.95Å; Y37-Y43 HydrophobicContact CD1-CE2 4.38Å; Y37-Y43 AromaticContact CD1-CG 3.7Å; Y37-Y43 HydrophobicContact CD1-CG 3.7Å; Y37-Y43 AromaticContact CE1-CD1 3.41Å; Y37-Y43 HydrophobicContact CE1-CD1 3.41Å; Y37-Y43 VanDerWaalsContact CE1-CD1 3.41Å; Y37-Y43 HydrophobicContact CE1-CD2 4.2Å; Y37-Y43 AromaticContact CE1-CE1 3.23Å; Y37-Y43 HydrophobicContact CE1-CE1 3.23Å; Y37-Y43 HydrophobicContact CE1-CE2 4.11Å; Y37-Y43 AromaticContact CE1-CG 3.89Å; Y37-Y43 HydrophobicContact CE1-CG 3.89Å; Y37-Y43 AromaticContact CE1-CZ 3.64Å; Y37-Y43 AromaticContact CZ-CE1 3.87Å; Y37-Y43 AromaticContact CZ-CZ 3.87Å; G40-Y43 PolarHBondContact O-N 3.31Å; G40-Y43 VanDerWaalsContact O-N 3.16Å; P41-Y43 PolarHBondContact O-N 3.13Å; Y43-Y45 PolarHBondContact O-N 2.86Å; Y43-L46 PolarHBondContact O-N 3.3Å; Y43-H47 VanDerWaalsContact O-CB 3.3Å; Y43-H47 WeakPolarHBondContact O-CB 3.39Å; Y43-H47 PolarHBondContact O-N 2.86Å; Y43-Y215 VanDerWaalsContact CE1-CB 3.49Å; Y43-N279 PolarHBondContact OH-OD1 3.28Å
44H84.5Confident89.1Confident63 Ų6345.6 Ų45.629%0.29224%0.237SC..Hα-helixtrans-54.3-52.4-172.3-177.781.3000113P41 L46 H47 Q48 P224P41-H44 WeakPolarHBondContact O-CB 3.46Å; P41-H44 PolarHBondContact O-N 2.86Å; H44-L46 PolarHBondContact O-N 3.07Å; H44-H47 PolarHBondContact O-N 3.44Å; H44-Q48 PolarHBondContact NE2-NE2 3.06Å; H44-Q48 WeakPolarHBondContact O-CG 3.37Å; H44-Q48 PolarHBondContact O-N 3.29Å; H44-P224 HydrophobicContact CB-CB 3.84Å; H44-P224 HydrophobicContact CB-CG 4.1Å
45Y84Confident89Confident19 Ų1944 Ų448%0.07523%0.23CC..Hα-helixtrans-64.4-40.2179.7-63.9-68.9000112.5Y43 Q48 M49 F138 Q216 H222 G225 F276Y43-Y45 PolarHBondContact O-N 2.86Å; Y45-Q48 PolarHBondContact O-N 3.08Å; Y45-M49 WeakPolarHBondContact O-CG 3.47Å; Y45-M49 PolarHBondContact O-N 3.36Å; Y45-F138 HydrophobicContact CD1-CE2 4.03Å; Y45-F138 HydrophobicContact CD1-CZ 4.14Å; Y45-F138 HydrophobicContact CE1-CE2 4.47Å; Y45-F138 HydrophobicContact CE1-CZ 4.21Å; Y45-Q216 VanDerWaalsContact CE2-OE1 3.25Å; Y45-H222 AromaticContact CE2-CE1 3.69Å; Y45-H222 AromaticContact CE2-ND1 3.9Å; Y45-H222 AromaticContact CZ-CE1 3.51Å; Y45-H222 PolarHBondContact OH-CE1 3.2Å; Y45-G225 PolarHBondContact OH-N 3Å; Y45-F276 HydrophobicContact CD2-CE1 4.45Å; Y45-F276 HydrophobicContact CD2-CZ 4.38Å
46L85.3Confident89.1Confident4 Ų444.5 Ų44.52%0.02123%0.232CC..Hα-helixtrans-68.6-36.9178-173.363.5000111.8Y43 H44 M49 L50 L54 F130 L141 L213 K214Y43-L46 PolarHBondContact O-N 3.3Å; H44-L46 PolarHBondContact O-N 3.07Å; L46-M49 PolarHBondContact O-N 2.87Å; L46-L50 HydrophobicContact CD1-CD1 3.61Å; L46-L50 HydrophobicContact CD1-CG 4.2Å; L46-L50 HydrophobicContact CG-CD1 3.98Å; L46-L50 WeakPolarHBondContact O-CB 3.22Å; L46-L50 PolarHBondContact O-N 3.03Å; L46-L54 HydrophobicContact CB-CD2 4.22Å; L46-L54 HydrophobicContact CD2-CD1 3.89Å; L46-L54 HydrophobicContact CD2-CD2 3.87Å; L46-L54 HydrophobicContact CG-CD1 4.32Å; L46-L54 HydrophobicContact CG-CD2 3.72Å; L46-F130 HydrophobicContact CD1-CE1 4.37Å; L46-F130 HydrophobicContact CD1-CZ 4.3Å; L46-L141 HydrophobicContact CB-CD1 4.27Å; L46-L141 HydrophobicContact CB-CD2 4.31Å; L46-L141 HydrophobicContact CD1-CD1 3.83Å; L46-L141 HydrophobicContact CD1-CD2 4.43Å; L46-L141 HydrophobicContact CD1-CG 4.01Å; L46-L141 HydrophobicContact CG-CD1 4.49Å; L46-L213 HydrophobicContact CD2-CD2 4.29Å; L46-K214 WeakPolarHBondContact CD2-O 3.47Å
47H88.3Confident89.1Confident41 Ų4140.6 Ų40.619%0.1921%0.212CC..Hα-helixtrans-68.2-39.9175.8-178.677.3000111.6Y37 N38 Y43 H44 M49 L50 G51 L54 C55Y37-H47 PolarHBondContact O-ND1 2.85Å; N38-H47 PolarHBondContact OD1-CE1 3.03Å; N38-H47 VanDerWaalsContact OD1-CE1 3.23Å; Y43-H47 VanDerWaalsContact O-CB 3.3Å; Y43-H47 WeakPolarHBondContact O-CB 3.39Å; Y43-H47 PolarHBondContact O-N 2.86Å; H44-H47 PolarHBondContact O-N 3.44Å; H47-M49 VanDerWaalsContact C-N 3.25Å; H47-M49 PolarHBondContact O-N 3.25Å; H47-L50 PolarHBondContact O-N 3.1Å; H47-G51 WeakPolarHBondContact O-CA 3.49Å; H47-G51 PolarHBondContact O-N 2.91Å; H47-L54 HydrophobicContact CB-CD2 4.35Å; H47-C55 VanDerWaalsContact CE1-SG 3.6Å; H47-C55 PolarHBondContact ND1-SG 2.82Å; H47-C55 VanDerWaalsContact ND1-SG 3.43Å
48Q86.3Confident89.2Confident124 Ų12443 Ų4358%0.57922%0.221SC*.Hα-helixtrans-59.7-37.4173.9-76.5-178.2-19.300112.2H44 Y45H44-Q48 PolarHBondContact NE2-NE2 3.06Å; H44-Q48 WeakPolarHBondContact O-CG 3.37Å; H44-Q48 PolarHBondContact O-N 3.29Å; Y45-Q48 PolarHBondContact O-N 3.08Å
49M85.6Confident89.4Confident16 Ų1640.3 Ų40.38%0.07921%0.207CC..Hα-helixtrans-74.5-45.6178.8-70173.665.500113.4Y45 L46 H47 F130 N133 L141 N142Y45-M49 WeakPolarHBondContact O-CG 3.47Å; Y45-M49 PolarHBondContact O-N 3.36Å; L46-M49 PolarHBondContact O-N 2.87Å; H47-M49 VanDerWaalsContact C-N 3.25Å; H47-M49 PolarHBondContact O-N 3.25Å; M49-F130 HydrophobicContact CE-CD1 4.38Å; M49-N133 PolarHBondContact O-ND2 2.82Å; M49-L141 HydrophobicContact SD-CB 4.47Å; M49-L141 HydrophobicContact SD-CD2 3.59Å; M49-L141 VanDerWaalsContact SD-CD2 3.59Å; M49-L141 HydrophobicContact SD-CG 4.01Å; M49-N142 WeakPolarHBondContact CE-OD1 3.46Å
50L88.2Confident89.6Confident1 Ų133.7 Ų33.71%0.00518%0.175CC..Hα-helixtrans-99.9-19.2-170-64.8179.3000114.3L46 H47 L54 N126 N129 F130 L213L46-L50 HydrophobicContact CD1-CD1 3.61Å; L46-L50 HydrophobicContact CD1-CG 4.2Å; L46-L50 HydrophobicContact CG-CD1 3.98Å; L46-L50 WeakPolarHBondContact O-CB 3.22Å; L46-L50 PolarHBondContact O-N 3.03Å; H47-L50 PolarHBondContact O-N 3.1Å; L50-L54 HydrophobicContact CB-CB 3.77Å; L50-L54 HydrophobicContact CD1-CB 4.09Å; L50-L54 HydrophobicContact CD1-CD1 3.99Å; L50-L54 HydrophobicContact CD1-CG 4.44Å; L50-N126 HydrophobicContact CD2-CB 4.14Å; L50-N129 HydrophobicContact CD2-CB 4.03Å; L50-N129 PolarHBondContact O-ND2 3.13Å; L50-F130 HydrophobicContact CD1-CE1 4.2Å; L50-F130 HydrophobicContact CD1-CE2 3.85Å; L50-F130 HydrophobicContact CD1-CZ 3.59Å; L50-F130 HydrophobicContact CD2-CD1 3.86Å; L50-F130 HydrophobicContact CD2-CD2 3.64Å; L50-F130 HydrophobicContact CD2-CE1 3.88Å; L50-F130 HydrophobicContact CD2-CE2 3.66Å; L50-F130 HydrophobicContact CD2-CG 3.74Å; L50-F130 HydrophobicContact CD2-CZ 3.79Å; L50-F130 HydrophobicContact CG-CE1 4.27Å; L50-F130 HydrophobicContact CG-CE2 4.34Å; L50-F130 HydrophobicContact CG-CZ 4.11Å; L50-L213 HydrophobicContact CD1-CD2 4.25Å
51G90.8Very high89.9Confident24 Ų2433.9 Ų33.925%0.24718%0.176CC..THydrogen-bonded Turntrans58.6-143-177.400000113.4H47 G53 L54H47-G51 WeakPolarHBondContact O-CA 3.49Å; H47-G51 PolarHBondContact O-N 2.91Å; G51-G53 PolarHBondContact O-N 2.8Å; G51-L54 PolarHBondContact O-N 2.76Å
52L92.8Very high90.4Very high108 Ų10831.8 Ų31.857%0.56516%0.163SC*.Hα-helixtrans-62.9-24-177.2-64176.9000113.8F34 L54 C55 L56F34-L52 HydrophobicContact CZ-CD2 4.28Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 2.83Å; L52-C55 PolarHBondContact O-N 3.46Å; L52-L56 WeakPolarHBondContact O-CG 3.31Å; L52-L56 PolarHBondContact O-N 2.77Å
53G91.8Very high90.9Very high6 Ų628.1 Ų28.16%0.06215%0.146CC..Hα-helixtrans-61-35.5177.200000112.1G51 S57 N126G51-G53 PolarHBondContact O-N 2.8Å; G53-S57 VanDerWaalsContact O-CB 3.23Å; G53-S57 WeakPolarHBondContact O-CB 3.39Å; G53-S57 PolarHBondContact O-N 2.97Å; G53-S57 PolarHBondContact O-OG 3Å; G53-S57 VanDerWaalsContact O-OG 3.04Å; G53-N126 VanDerWaalsContact C-ND2 3.27Å; G53-N126 WeakPolarHBondContact CA-OD1 3.49Å; G53-N126 PolarHBondContact O-ND2 2.96Å; G53-N126 PolarHBondContact O-OD1 2.99Å
54L92.2Very high91.3Very high0 Ų028.3 Ų28.30%015%0.148CC..Hα-helixtrans-63.3-53.5173.917565.8000110.4Y37 L46 H47 L50 G51 L52 L56 S57 R58 N126 L213Y37-L54 HydrophobicContact CD1-CD1 4.17Å; Y37-L54 HydrophobicContact CD1-CD2 4.01Å; Y37-L54 HydrophobicContact CD1-CG 3.99Å; Y37-L54 HydrophobicContact CE1-CD1 4.5Å; L46-L54 HydrophobicContact CB-CD2 4.22Å; L46-L54 HydrophobicContact CD2-CD1 3.89Å; L46-L54 HydrophobicContact CD2-CD2 3.87Å; L46-L54 HydrophobicContact CG-CD1 4.32Å; L46-L54 HydrophobicContact CG-CD2 3.72Å; H47-L54 HydrophobicContact CB-CD2 4.35Å; L50-L54 HydrophobicContact CB-CB 3.77Å; L50-L54 HydrophobicContact CD1-CB 4.09Å; L50-L54 HydrophobicContact CD1-CD1 3.99Å; L50-L54 HydrophobicContact CD1-CG 4.44Å; G51-L54 PolarHBondContact O-N 2.76Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 2.83Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.48Å; L54-S57 PolarHBondContact O-N 2.72Å; L54-S57 PolarHBondContact O-OG 2.91Å; L54-R58 HydrophobicContact CD1-CG 3.93Å; L54-R58 WeakPolarHBondContact O-CG 3.43Å; L54-R58 PolarHBondContact O-N 3.45Å; L54-N126 PolarHBondContact N-OD1 3.45Å; L54-N126 VanDerWaalsContact N-OD1 3.08Å; L54-L213 HydrophobicContact CD1-CD1 4.21Å; L54-L213 HydrophobicContact CD1-CD2 4.32Å
55C94.3Very high91.7Very high0 Ų026.1 Ų26.10%014%0.138CC..Hα-helixtrans-57.5-46-178.1-550000111.5F34 H47 L52 A59F34-C55 HydrophobicContact CD2-CB 3.56Å; F34-C55 HydrophobicContact CE2-CB 3.47Å; F34-C55 VanDerWaalsContact CE2-CB 3.47Å; F34-C55 HydrophobicContact CG-CB 4.24Å; F34-C55 HydrophobicContact CZ-CB 4.09Å; H47-C55 VanDerWaalsContact CE1-SG 3.6Å; H47-C55 PolarHBondContact ND1-SG 2.82Å; H47-C55 VanDerWaalsContact ND1-SG 3.43Å; L52-C55 PolarHBondContact O-N 3.46Å; C55-A59 WeakPolarHBondContact O-CB 3.48Å; C55-A59 PolarHBondContact O-N 3.41Å
56L95.8Very high92.2Very high64 Ų6425.6 Ų25.634%0.33514%0.137SC..Hα-helixtrans-66.7-44.3178.8-70.6176.7000112.4F30 F34 L52 L54 R58 S60 A122F30-L56 HydrophobicContact CZ-CD2 3.97Å; F34-L56 HydrophobicContact CD2-CD2 4.33Å; F34-L56 HydrophobicContact CE2-CD2 4.02Å; F34-L56 HydrophobicContact CE2-CG 4.34Å; L52-L56 WeakPolarHBondContact O-CG 3.31Å; L52-L56 PolarHBondContact O-N 2.77Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.48Å; L56-R58 VanDerWaalsContact C-N 3.33Å; L56-R58 PolarHBondContact O-N 3.06Å; L56-S60 VanDerWaalsContact O-CB 3.29Å; L56-S60 WeakPolarHBondContact O-CB 3.41Å; L56-S60 PolarHBondContact O-N 3.41Å; L56-S60 PolarHBondContact O-OG 3.31Å; L56-A122 HydrophobicContact CB-CB 3.91Å
57S94.4Very high92.8Very high0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-62.5-40.2179.967.20000112.1G53 L54 S60 A61 H119 N126G53-S57 VanDerWaalsContact O-CB 3.23Å; G53-S57 WeakPolarHBondContact O-CB 3.39Å; G53-S57 PolarHBondContact O-N 2.97Å; G53-S57 PolarHBondContact O-OG 3Å; G53-S57 VanDerWaalsContact O-OG 3.04Å; L54-S57 PolarHBondContact O-N 2.72Å; L54-S57 PolarHBondContact O-OG 2.91Å; S57-S60 PolarHBondContact O-OG 3.38Å; S57-A61 VanDerWaalsContact O-CB 3.29Å; S57-A61 WeakPolarHBondContact O-CB 3.36Å; S57-A61 PolarHBondContact O-N 3.33Å; S57-H119 PolarHBondContact O-ND1 2.9Å; S57-H119 VanDerWaalsContact O-ND1 3.07Å; S57-N126 PolarHBondContact OG-ND2 3.25Å
58R92.8Very high93.1Very high62 Ų6223.7 Ų23.723%0.23413%0.128CC..Hα-helixtrans-75.9-43.1179.2-61.1-59.8-73177.4-5.4112.8T33 Y37 L54 L56 S60 A61 S62 L213T33-R58 HydrophobicContact CG2-CB 3.97Å; Y37-R58 HydrophobicContact CD1-CG 4.03Å; Y37-R58 HydrophobicContact CD2-CB 3.53Å; Y37-R58 HydrophobicContact CD2-CG 3.9Å; Y37-R58 HydrophobicContact CE1-CG 3.85Å; Y37-R58 HydrophobicContact CE2-CB 3.5Å; Y37-R58 HydrophobicContact CE2-CG 3.73Å; Y37-R58 HydrophobicContact CG-CB 4.09Å; Y37-R58 HydrophobicContact CG-CG 4.07Å; Y37-R58 VanDerWaalsContact CZ-NE 3.34Å; Y37-R58 PolarHBondContact OH-NE 2.8Å; Y37-R58 PolarHBondContact OH-NH2 3.36Å; L54-R58 HydrophobicContact CD1-CG 3.93Å; L54-R58 WeakPolarHBondContact O-CG 3.43Å; L54-R58 PolarHBondContact O-N 3.45Å; L56-R58 VanDerWaalsContact C-N 3.33Å; L56-R58 PolarHBondContact O-N 3.06Å; R58-S60 PolarHBondContact O-N 2.95Å; R58-A61 PolarHBondContact O-N 2.76Å; R58-S62 PolarHBondContact O-N 3.22Å; R58-S62 PolarHBondContact O-OG 3.21Å; R58-L213 HydrophobicContact CG-CD1 4.46Å
59A95.3Very high93.4Very high0 Ų018.4 Ų18.40%011%0.105CC..Hα-helixtrans-61.7-44.4176.700000111.7F30 F34 C55 S62 V63F30-A59 HydrophobicContact CD1-CB 4.15Å; F30-A59 HydrophobicContact CD2-CB 3.56Å; F30-A59 HydrophobicContact CE1-CB 4.1Å; F30-A59 HydrophobicContact CE2-CB 3.51Å; F30-A59 HydrophobicContact CG-CB 3.9Å; F30-A59 HydrophobicContact CZ-CB 3.79Å; F30-A59 WeakPolarHBondContact O-CB 3.5Å; F34-A59 HydrophobicContact CB-CB 4.04Å; C55-A59 WeakPolarHBondContact O-CB 3.48Å; C55-A59 PolarHBondContact O-N 3.41Å; A59-S62 PolarHBondContact O-N 2.8Å; A59-V63 PolarHBondContact O-N 3.18Å
60S96.3Very high93.8Very high0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-64.3-39.8174.155.90000112.4L56 S57 R58 S62 V63 L64 H119L56-S60 VanDerWaalsContact O-CB 3.29Å; L56-S60 WeakPolarHBondContact O-CB 3.41Å; L56-S60 PolarHBondContact O-N 3.41Å; L56-S60 PolarHBondContact O-OG 3.31Å; S57-S60 PolarHBondContact O-OG 3.38Å; R58-S60 PolarHBondContact O-N 2.95Å; S60-S62 PolarHBondContact O-N 2.87Å; S60-V63 PolarHBondContact O-N 3.36Å; S60-L64 WeakPolarHBondContact O-CB 3.29Å; S60-L64 VanDerWaalsContact O-CG 3.29Å; S60-L64 WeakPolarHBondContact O-CG 3.49Å; S60-L64 PolarHBondContact O-N 3.43Å; S60-H119 WeakPolarHBondContact OG-CA 3.32Å; S60-H119 WeakPolarHBondContact OG-CB 3.33Å; S60-H119 PolarHBondContact OG-ND1 2.73Å
61A93.6Very high94.1Very high17 Ų1720.4 Ų20.414%0.1412%0.116CC..Hα-helixtrans-61.3-40.5175.400000112.9S57 R58 V63 L64 N65S57-A61 VanDerWaalsContact O-CB 3.29Å; S57-A61 WeakPolarHBondContact O-CB 3.36Å; S57-A61 PolarHBondContact O-N 3.33Å; R58-A61 PolarHBondContact O-N 2.76Å; A61-V63 PolarHBondContact O-N 2.8Å; A61-L64 PolarHBondContact O-N 2.9Å; A61-N65 WeakPolarHBondContact O-CB 3.44Å; A61-N65 VanDerWaalsContact O-CG 3.3Å; A61-N65 PolarHBondContact O-N 2.94Å
62S93.6Very high94.1Very high26 Ų2619.9 Ų19.918%0.18211%0.107CC..Hα-helixtrans-62.3-42175.1-63.20000112.2T33 R58 A59 S60 N65 L66T33-S62 PolarHBondContact OG1-OG 3.48Å; R58-S62 PolarHBondContact O-N 3.22Å; R58-S62 PolarHBondContact O-OG 3.21Å; A59-S62 PolarHBondContact O-N 2.8Å; S60-S62 PolarHBondContact O-N 2.87Å; S62-N65 PolarHBondContact O-N 2.83Å; S62-L66 PolarHBondContact O-N 3.05Å; S62-L66 VanDerWaalsContact O-N 3.15Å
63V96.3Very high94Very high0 Ų017.6 Ų17.60%010%0.095CC..Hα-helixtrans-64.7-41.8175.2171.60000111.2N26 F30 A59 S60 A61 L66 N67 F115N26-V63 WeakPolarHBondContact OD1-CG1 3.27Å; F30-V63 HydrophobicContact CB-CG2 3.77Å; F30-V63 HydrophobicContact CD2-CG2 3.95Å; F30-V63 HydrophobicContact CG-CG2 4.37Å; A59-V63 PolarHBondContact O-N 3.18Å; S60-V63 PolarHBondContact O-N 3.36Å; A61-V63 PolarHBondContact O-N 2.8Å; V63-L66 PolarHBondContact O-N 2.91Å; V63-N67 WeakPolarHBondContact CG1-ND2 3.48Å; V63-N67 PolarHBondContact O-N 2.88Å; V63-N67 PolarHBondContact O-ND2 3.42Å; V63-F115 HydrophobicContact CB-CD1 4.2Å; V63-F115 HydrophobicContact CB-CE1 4.39Å; V63-F115 HydrophobicContact CB-CG 4.29Å; V63-F115 HydrophobicContact CG1-CB 4.32Å; V63-F115 HydrophobicContact CG1-CD1 3.97Å; V63-F115 HydrophobicContact CG1-CD2 3.53Å; V63-F115 HydrophobicContact CG1-CE1 4.13Å; V63-F115 HydrophobicContact CG1-CE2 3.71Å; V63-F115 HydrophobicContact CG1-CG 3.66Å; V63-F115 HydrophobicContact CG1-CZ 4Å; V63-F115 HydrophobicContact CG2-CE1 4.32Å
64L95.5Very high93.9Very high20 Ų2017.8 Ų17.811%0.10510%0.095CC..Hα-helixtrans-61.8-45.4175.2-72.1169.7000111.5S60 A61 L66 N67 C68 I112 F115 S116 H119S60-L64 WeakPolarHBondContact O-CB 3.29Å; S60-L64 VanDerWaalsContact O-CG 3.29Å; S60-L64 WeakPolarHBondContact O-CG 3.49Å; S60-L64 PolarHBondContact O-N 3.43Å; A61-L64 PolarHBondContact O-N 2.9Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.19Å; L64-N67 PolarHBondContact O-N 3.31Å; L64-C68 WeakPolarHBondContact O-CB 3.08Å; L64-C68 PolarHBondContact O-N 3.13Å; L64-C68 PolarHBondContact O-SG 3.43Å; L64-I112 HydrophobicContact CD2-CB 4.36Å; L64-I112 HydrophobicContact CD2-CG2 4.05Å; L64-I112 WeakPolarHBondContact CD2-O 3.26Å; L64-F115 HydrophobicContact CD2-CB 3.91Å; L64-F115 HydrophobicContact CG-CB 4.05Å; L64-S116 WeakPolarHBondContact CD2-OG 3.33Å; L64-H119 HydrophobicContact CD1-CB 3.83Å
65N93.9Very high93.8Very high16 Ų1620 Ų209%0.08611%0.107CC..Hα-helixtrans-57-45.7176.9-75.7-18.9000112.2A61 S62 S69 T283 W286A61-N65 WeakPolarHBondContact O-CB 3.44Å; A61-N65 VanDerWaalsContact O-CG 3.3Å; A61-N65 PolarHBondContact O-N 2.94Å; S62-N65 PolarHBondContact O-N 2.83Å; N65-S69 WeakPolarHBondContact O-CB 3.44Å; N65-S69 PolarHBondContact O-N 3.39Å; N65-T283 VanDerWaalsContact CG-OG1 3.29Å; N65-T283 PolarHBondContact ND2-OG1 3.12Å; N65-T283 VanDerWaalsContact OD1-CG2 3.24Å; N65-T283 WeakPolarHBondContact OD1-CG2 3.5Å; N65-T283 PolarHBondContact OD1-OG1 3.33Å; N65-W286 HydrophobicContact CB-CB 4.34Å; N65-W286 HydrophobicContact CB-CD2 4.45Å; N65-W286 HydrophobicContact CB-CG 4.08Å
66L94.5Very high93.5Very high8 Ų820 Ų204%0.04211%0.107CC..Hα-helixtrans-61.6-49.5176.517766.7000111.4M25 L29 S62 V63 L64 S69 L70 W286M25-L66 HydrophobicContact CB-CD2 4.28Å; M25-L66 HydrophobicContact CE-CD1 4.49Å; L29-L66 HydrophobicContact CD1-CB 4.13Å; L29-L66 HydrophobicContact CD1-CD2 3.62Å; L29-L66 HydrophobicContact CD1-CG 4.3Å; S62-L66 PolarHBondContact O-N 3.05Å; S62-L66 VanDerWaalsContact O-N 3.15Å; V63-L66 PolarHBondContact O-N 2.91Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.19Å; L66-S69 WeakPolarHBondContact O-CB 3.19Å; L66-S69 PolarHBondContact O-N 3.01Å; L66-L70 HydrophobicContact CD1-CD1 3.82Å; L66-L70 HydrophobicContact CD1-CG 4.14Å; L66-L70 HydrophobicContact CG-CD1 3.94Å; L66-L70 WeakPolarHBondContact O-CG 3.19Å; L66-L70 PolarHBondContact O-N 3.43Å; L66-W286 HydrophobicContact CB-CZ3 4.5Å; L66-W286 HydrophobicContact CD1-CZ3 3.94Å
67N95.9Very high92.9Very high1 Ų121.3 Ų21.31%0.00511%0.107CC..Hα-helixtrans-72-37-175.4-70.4-69.2000112.7W22 N26 V63 L64 S69 L70 I71 I112W22-N67 VanDerWaalsContact CZ2-OD1 3.25Å; W22-N67 WeakPolarHBondContact CZ2-OD1 3.36Å; W22-N67 PolarHBondContact NE1-OD1 2.97Å; N26-N67 PolarHBondContact OD1-ND2 3.01Å; V63-N67 WeakPolarHBondContact CG1-ND2 3.48Å; V63-N67 PolarHBondContact O-N 2.88Å; V63-N67 PolarHBondContact O-ND2 3.42Å; L64-N67 PolarHBondContact O-N 3.31Å; N67-S69 PolarHBondContact O-N 3.03Å; N67-L70 PolarHBondContact O-N 2.91Å; N67-I71 WeakPolarHBondContact O-CB 3.4Å; N67-I71 PolarHBondContact O-N 3.07Å; N67-I112 HydrophobicContact CB-CD1 4.12Å; N67-I112 HydrophobicContact CB-CG1 3.64Å
68C94.4Very high92.4Very high4 Ų422.6 Ų22.63%0.02711%0.113CC..Hα-helixtrans-65.2-28171.6-69.80000112L64 Y201 L204 I287L64-C68 WeakPolarHBondContact O-CB 3.08Å; L64-C68 PolarHBondContact O-N 3.13Å; L64-C68 PolarHBondContact O-SG 3.43Å; C68-Y201 HydrophobicContact CB-CE1 4.46Å; C68-Y201 PolarHBondContact O-OH 3.46Å; C68-L204 HydrophobicContact CB-CD2 4.29Å; C68-I287 HydrophobicContact CB-CD1 4.39Å
69S93.3Very high92Very high13 Ų1322.3 Ų22.39%0.09112%0.116CC..Hα-helixtrans-71.3-45.4171.3178.50000111.3N65 L66 N67 W286 P290N65-S69 WeakPolarHBondContact O-CB 3.44Å; N65-S69 PolarHBondContact O-N 3.39Å; L66-S69 WeakPolarHBondContact O-CB 3.19Å; L66-S69 PolarHBondContact O-N 3.01Å; N67-S69 PolarHBondContact O-N 3.03Å; S69-W286 VanDerWaalsContact CB-O 3.28Å; S69-W286 WeakPolarHBondContact CB-O 3.44Å; S69-W286 PolarHBondContact OG-O 2.89Å; S69-P290 WeakPolarHBondContact O-CB 3.21Å; S69-P290 WeakPolarHBondContact OG-CG 3.49Å
70L93.5Very high91.4Very high38 Ų3823.8 Ų23.820%0.19912%0.124CC..Hα-helixtrans-79.2-25.5-174.4-66.5177.8000114.8L66 N67 L72 L73 P74 F104L66-L70 HydrophobicContact CD1-CD1 3.82Å; L66-L70 HydrophobicContact CD1-CG 4.14Å; L66-L70 HydrophobicContact CG-CD1 3.94Å; L66-L70 WeakPolarHBondContact O-CG 3.19Å; L66-L70 PolarHBondContact O-N 3.43Å; N67-L70 PolarHBondContact O-N 2.91Å; L70-L72 PolarHBondContact O-N 3.44Å; L70-L73 HydrophobicContact CD2-CD1 3.92Å; L70-L73 PolarHBondContact O-N 3.02Å; L70-P74 WeakPolarHBondContact O-CD 3.31Å; L70-F104 HydrophobicContact CB-CE1 4.46Å; L70-F104 HydrophobicContact CD1-CZ 4.42Å
71I94.8Very high90.5Very high22 Ų2225.2 Ų25.211%0.11314%0.136CC..THydrogen-bonded Turntrans-64.6-25-172.6-168164.4000114.1N67 P74 H105 C108 I112 Y201N67-I71 WeakPolarHBondContact O-CB 3.4Å; N67-I71 PolarHBondContact O-N 3.07Å; I71-P74 WeakPolarHBondContact O-CD 3.45Å; I71-H105 VanDerWaalsContact CG1-CE1 3.49Å; I71-H105 WeakPolarHBondContact CG1-CE1 3.27Å; I71-H105 VanDerWaalsContact CG1-ND1 3.3Å; I71-H105 WeakPolarHBondContact CG1-ND1 3.3Å; I71-H105 PolarHBondContact O-ND1 3.43Å; I71-C108 HydrophobicContact CB-CB 4.22Å; I71-C108 HydrophobicContact CD1-CB 4.44Å; I71-C108 HydrophobicContact CG1-CB 4.27Å; I71-I112 HydrophobicContact CB-CD1 4.31Å; I71-I112 HydrophobicContact CD1-CD1 3.71Å; I71-I112 HydrophobicContact CG2-CD1 4.29Å; I71-Y201 WeakPolarHBondContact CG2-OH 3.14Å
72L92.2Very high89.9Confident12 Ų1231.3 Ų31.36%0.06316%0.16CC..SBendtrans-79.3-34.1179.5-62.5178.6000113L70 M75 F197 Y201 L291 Y294L70-L72 PolarHBondContact O-N 3.44Å; L72-M75 WeakPolarHBondContact O-CB 3.34Å; L72-M75 PolarHBondContact O-N 3.22Å; L72-F197 HydrophobicContact CD2-CD2 4.36Å; L72-F197 HydrophobicContact CD2-CE2 4.33Å; L72-Y201 HydrophobicContact CD1-CE1 4.3Å; L72-Y201 HydrophobicContact CD1-CE2 4.17Å; L72-Y201 HydrophobicContact CD2-CE2 3.93Å; L72-Y201 HydrophobicContact CG-CE2 4.27Å; L72-Y201 WeakPolarHBondContact CG-OH 3.26Å; L72-L291 HydrophobicContact CD1-CB 4.35Å; L72-L291 HydrophobicContact CD1-CD1 3.97Å; L72-Y294 HydrophobicContact CB-CD2 4.49Å
73L90.5Very high89.2Confident60 Ų6033.4 Ų33.431%0.31417%0.168SC..G310 helixtrans-58.2-42.1-174.6-57.4175.9000113.5L70 M75 C76 P290 L293L70-L73 HydrophobicContact CD2-CD1 3.92Å; L70-L73 PolarHBondContact O-N 3.02Å; L73-M75 PolarHBondContact O-N 3.47Å; L73-M75 VanDerWaalsContact O-N 3.16Å; L73-C76 WeakPolarHBondContact O-CB 3.28Å; L73-C76 PolarHBondContact O-N 3.23Å; L73-P290 HydrophobicContact CD2-CB 4.09Å; L73-L293 HydrophobicContact CD2-CD2 3.87Å
74P89.5Confident88.1Confident10 Ų1034 Ų347%0.06517%0.17CC..G310 helixtrans-62.5-18.3175.2-28.138.3000115.2L70 I71 L80 S101 F104 H105L70-P74 WeakPolarHBondContact O-CD 3.31Å; I71-P74 WeakPolarHBondContact O-CD 3.45Å; P74-L80 VanDerWaalsContact O-CD1 3.25Å; P74-L80 WeakPolarHBondContact O-CD1 3.42Å; P74-S101 WeakPolarHBondContact CB-O 3.42Å; P74-F104 HydrophobicContact CG-CD1 3.64Å; P74-F104 HydrophobicContact CG-CE1 4.27Å; P74-H105 HydrophobicContact CB-CB 3.95Å; P74-H105 HydrophobicContact CG-CB 4.25Å
75M88.9Confident86.6Confident48 Ų4834.8 Ų34.824%0.23618%0.184CC..G310 helixtrans-93.9-6.8-178.5-67-61.2178.300113.1L72 L73 R77 H105 Y294L72-M75 WeakPolarHBondContact O-CB 3.34Å; L72-M75 PolarHBondContact O-N 3.22Å; L73-M75 PolarHBondContact O-N 3.47Å; L73-M75 VanDerWaalsContact O-N 3.16Å; M75-R77 VanDerWaalsContact C-N 3.29Å; M75-R77 PolarHBondContact O-N 3.02Å; M75-H105 HydrophobicContact CE-CB 3.93Å; M75-H105 WeakPolarHBondContact CE-CD2 3.5Å; M75-H105 WeakPolarHBondContact CE-ND1 3.31Å; M75-H105 WeakPolarHBondContact CE-NE2 3.33Å; M75-Y294 HydrophobicContact CB-CE2 4.29Å
76C88.6Confident85.5Confident0 Ų035.7 Ų35.70%019%0.191CC..  trans-76.574.1172.4-61.40000110.8L73 I78 L79 L80 E297L73-C76 WeakPolarHBondContact O-CB 3.28Å; L73-C76 PolarHBondContact O-N 3.23Å; C76-I78 VanDerWaalsContact C-N 3.35Å; C76-I78 PolarHBondContact O-N 2.76Å; C76-L79 HydrophobicContact CB-CB 3.93Å; C76-L79 HydrophobicContact CB-CD2 4.32Å; C76-L79 WeakPolarHBondContact O-CB 3.5Å; C76-L79 PolarHBondContact O-N 2.79Å; C76-L80 WeakPolarHBondContact O-CG 3.43Å; C76-L80 PolarHBondContact O-N 2.8Å; C76-E297 HydrophobicContact CB-CG 4.13Å
77R83Confident83.6Confident90 Ų9044.3 Ų44.334%0.3423%0.232SC..Hα-helixtrans-63.2-35.2-170-63.7-174.2-175.5-175.52.3113.6M75 L80 A81 E297 F413M75-R77 VanDerWaalsContact C-N 3.29Å; M75-R77 PolarHBondContact O-N 3.02Å; R77-L80 PolarHBondContact O-N 3.13Å; R77-A81 WeakPolarHBondContact O-CB 3.42Å; R77-A81 PolarHBondContact O-N 2.92Å; R77-E297 PolarHBondContact N-OE1 2.86Å; R77-F413 HydrophobicContact CB-CD1 3.92Å; R77-F413 HydrophobicContact CB-CE1 3.54Å; R77-F413 HydrophobicContact CB-CZ 4.3Å
78I83.5Confident81.5Confident27 Ų2753.4 Ų53.414%0.13827%0.271CS..Hα-helixtrans-69-41.9176.5-68.1-174.2000110.9C76 L80 A81 F82 E297 Y300 R301 F413C76-I78 VanDerWaalsContact C-N 3.35Å; C76-I78 PolarHBondContact O-N 2.76Å; I78-L80 VanDerWaalsContact C-N 3.32Å; I78-L80 PolarHBondContact O-N 2.92Å; I78-A81 PolarHBondContact O-N 2.75Å; I78-F82 WeakPolarHBondContact O-CB 3.3Å; I78-F82 PolarHBondContact O-N 2.78Å; I78-E297 HydrophobicContact CB-CG 4.09Å; I78-E297 WeakPolarHBondContact CB-OE1 3.27Å; I78-E297 PolarHBondContact N-OE1 2.82Å; I78-Y300 HydrophobicContact CD1-CD1 3.47Å; I78-Y300 VanDerWaalsContact CD1-CD1 3.47Å; I78-Y300 HydrophobicContact CD1-CE1 3.69Å; I78-Y300 HydrophobicContact CG2-CD1 4.16Å; I78-Y300 HydrophobicContact CG2-CE1 4.05Å; I78-R301 HydrophobicContact CD1-CB 4.32Å; I78-R301 HydrophobicContact CD1-CG 3.26Å; I78-R301 HydrophobicContact CG1-CG 3.78Å; I78-F413 HydrophobicContact CG1-CE1 4.33Å
79L84.1Confident79.7Confident57 Ų5754.3 Ų54.330%0.29828%0.276SS..Hα-helixtrans-60.5-44.9175.5-179.764.7000110.6C76 A81 F82 L83 L293C76-L79 HydrophobicContact CB-CB 3.93Å; C76-L79 HydrophobicContact CB-CD2 4.32Å; C76-L79 WeakPolarHBondContact O-CB 3.5Å; C76-L79 PolarHBondContact O-N 2.79Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 2.78Å; L79-F82 PolarHBondContact O-N 3.49Å; L79-L83 HydrophobicContact CD1-CD1 4.34Å; L79-L83 HydrophobicContact CD1-CG 4.32Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 HydrophobicContact CG-CG 4.43Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 VanDerWaalsContact O-CG 3.25Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 3.08Å; L79-L293 HydrophobicContact CD2-CD1 4.46Å; L79-L293 HydrophobicContact CD2-CD2 3.89Å; L79-L293 HydrophobicContact CD2-CG 4.43Å
80L83.4Confident77.7Confident30 Ų3059.8 Ų59.816%0.15731%0.312CS..Hα-helixtrans-61.5-41.5175.2-67176.5000112.1P74 C76 R77 I78 R84 L98P74-L80 VanDerWaalsContact O-CD1 3.25Å; P74-L80 WeakPolarHBondContact O-CD1 3.42Å; C76-L80 WeakPolarHBondContact O-CG 3.43Å; C76-L80 PolarHBondContact O-N 2.8Å; R77-L80 PolarHBondContact O-N 3.13Å; I78-L80 VanDerWaalsContact C-N 3.32Å; I78-L80 PolarHBondContact O-N 2.92Å; L80-R84 WeakPolarHBondContact O-CB 3.42Å; L80-R84 PolarHBondContact O-N 2.78Å; L80-L98 HydrophobicContact CD2-CD2 3.89Å
81A78.2Confident76.3Confident31 Ų3160.3 Ų60.326%0.25632%0.318SS..Hα-helixtrans-65.5-39.8176.500000112.2R77 I78 L79 R84 G85R77-A81 WeakPolarHBondContact O-CB 3.42Å; R77-A81 PolarHBondContact O-N 2.92Å; I78-A81 PolarHBondContact O-N 2.75Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 2.78Å; A81-R84 PolarHBondContact O-N 2.93Å; A81-G85 PolarHBondContact O-N 3.48Å
82F80.2Confident75.3Confident145 Ų14563.6 Ų63.664%0.63633%0.329SS*.Hα-helixtrans-66.6-47.5175.7179.4-99.3000111.7I78 L79 R84 G85 S86I78-F82 WeakPolarHBondContact O-CB 3.3Å; I78-F82 PolarHBondContact O-N 2.78Å; L79-F82 PolarHBondContact O-N 3.49Å; F82-R84 VanDerWaalsContact C-N 3.27Å; F82-R84 PolarHBondContact O-N 3.41Å; F82-G85 CarbonylContact O-C 3.56Å; F82-G85 PolarHBondContact O-N 3.45Å; F82-G85 VanDerWaalsContact O-N 3.14Å; F82-S86 PolarHBondContact O-N 3.3Å
83L79.2Confident74.3Confident70 Ų7069.8 Ų69.837%0.36635%0.352SS..Hα-helixtrans-59.4-39.9175.7-72.1172.8000111.5L79 V89 L98L79-L83 HydrophobicContact CD1-CD1 4.34Å; L79-L83 HydrophobicContact CD1-CG 4.32Å; L79-L83 HydrophobicContact CG-CD1 4.03Å; L79-L83 HydrophobicContact CG-CG 4.43Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 VanDerWaalsContact O-CG 3.25Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 3.08Å; L83-V89 VanDerWaalsContact O-CG2 3.23Å; L83-V89 WeakPolarHBondContact O-CG2 3.33Å; L83-L98 HydrophobicContact CB-CD1 4.04Å
84R73.4Confident73.4Confident11 Ų1169.8 Ų69.84%0.04235%0.354CS..Hα-helixtrans-63.7-41.7174.9178.3-170.8171.5114.822.1112.6L80 A81 F82 R95 L98 D99 G414 S415 E418L80-R84 WeakPolarHBondContact O-CB 3.42Å; L80-R84 PolarHBondContact O-N 2.78Å; A81-R84 PolarHBondContact O-N 2.93Å; F82-R84 VanDerWaalsContact C-N 3.27Å; F82-R84 PolarHBondContact O-N 3.41Å; R84-R95 HydrophobicContact CG-CG 4.26Å; R84-R95 PolarHBondContact O-NE 3.13Å; R84-R95 VanDerWaalsContact O-NE 3.14Å; R84-L98 HydrophobicContact CB-CD1 4.2Å; R84-D99 IonicContact CZ-OD1 3.01Å; R84-D99 IonicContact NH1-OD1 3.96Å; R84-D99 PolarHBondContact NH1-OD1 3.17Å; R84-D99 IonicContact NH1-OD2 2.86Å; R84-G414 VanDerWaalsContact NH1-C 3.25Å; R84-G414 PolarHBondContact NH1-O 3.37Å; R84-S415 VanDerWaalsContact CZ-O 3.29Å; R84-S415 PolarHBondContact NH1-O 2.93Å; R84-S415 VanDerWaalsContact NH2-C 3.31Å; R84-S415 PolarHBondContact NH2-O 3.5Å; R84-E418 IonicContact CZ-OE2 2.81Å; R84-E418 VanDerWaalsContact CZ-OE2 3.23Å; R84-E418 IonicContact NE-OE2 2.85Å; R84-E418 PolarHBondContact NE-OE2 2.96Å; R84-E418 IonicContact NH2-OE2 2.67Å; R84-E418 PolarHBondContact NH2-OE2 3.49Å
85G63.1Low72.8Confident38 Ų3872.4 Ų72.439%0.39236%0.363SS..Hα-helixtrans-81.7-15.4-178.100000115.1A81 F82A81-G85 PolarHBondContact O-N 3.48Å; F82-G85 CarbonylContact O-C 3.56Å; F82-G85 PolarHBondContact O-N 3.45Å; F82-G85 VanDerWaalsContact O-N 3.14Å
86S70.5Confident72.1Confident34 Ų3471.6 Ų71.624%0.23836%0.357CS..  trans-67134.5-178.7-174.30000112F82 K88 V89F82-S86 PolarHBondContact O-N 3.3Å; S86-K88 PolarHBondContact O-N 3.37Å; S86-K88 VanDerWaalsContact O-N 3.15Å; S86-K88 PolarHBondContact OG-N 2.87Å; S86-V89 PolarHBondContact O-N 3.46Å
87Q54.4Low71.6Confident190 Ų19074.1 Ų74.189%0.88837%0.371SS*.THydrogen-bonded Turntrans-62.3-18174.8-68.1-178.4-14.800112.7V89Q87-V89 VanDerWaalsContact C-N 3.27Å; Q87-V89 PolarHBondContact O-N 2.85Å
88K53.3Low71.3Confident192 Ų19271.6 Ų71.684%0.83536%0.363SS*.THydrogen-bonded Turntrans-77.2-4.5177.4-65.8-170.6178.2-176.70114.4S86 P90S86-K88 PolarHBondContact O-N 3.37Å; S86-K88 VanDerWaalsContact O-N 3.15Å; S86-K88 PolarHBondContact OG-N 2.87Å; K88-P90 VanDerWaalsContact C-CD 3.4Å; K88-P90 WeakPolarHBondContact O-CD 3.37Å
89V56.1Low71Confident23 Ų2372.6 Ų72.614%0.13937%0.369CS..  trans-102.285.7170.1-177.80000108.5L83 S86 Q87 S91 T94 R95L83-V89 VanDerWaalsContact O-CG2 3.23Å; L83-V89 WeakPolarHBondContact O-CG2 3.33Å; S86-V89 PolarHBondContact O-N 3.46Å; Q87-V89 VanDerWaalsContact C-N 3.27Å; Q87-V89 PolarHBondContact O-N 2.85Å; V89-S91 VanDerWaalsContact C-N 3.28Å; V89-S91 PolarHBondContact O-N 2.99Å; V89-T94 HydrophobicContact CG1-CG2 3.62Å; V89-R95 HydrophobicContact CG1-CG 4.39Å
90P51.4Low70.8Confident128 Ų12874 Ų7483%0.83137%0.373SS*.  trans-75.4-13.9-170.128.9-36.9000113.8K88K88-P90 VanDerWaalsContact C-CD 3.4Å; K88-P90 WeakPolarHBondContact O-CD 3.37Å
91S65Low70.9Confident48 Ų4874 Ų7434%0.33638%0.375SS..  trans-111126.3-170.4-169.20000113.3V89 R93 T94V89-S91 VanDerWaalsContact C-N 3.28Å; V89-S91 PolarHBondContact O-N 2.99Å; S91-R93 PolarHBondContact O-N 3.08Å; S91-R93 VanDerWaalsContact O-N 3.07Å; S91-R93 WeakPolarHBondContact OG-CB 3.37Å; S91-R93 PolarHBondContact OG-N 2.64Å; S91-T94 PolarHBondContact O-N 3.16Å
92R72.6Confident71.3Confident92 Ų9277.7 Ų77.735%0.34738%0.383SS..Hα-helixtrans-48.4-33.2168.9-63.9178-173.8-177.8-5.1112.2T94 R95 R96 N422R92-T94 VanDerWaalsContact C-N 3.33Å; R92-T94 PolarHBondContact O-N 2.95Å; R92-R95 PolarHBondContact O-N 3.49Å; R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 3.45Å; R92-R96 VanDerWaalsContact O-N 3.13Å; R92-N422 PolarHBondContact NH2-O 2.95Å
93R70.9Confident71.6Confident141 Ų14174.1 Ų74.153%0.53237%0.373SS..Hα-helixtrans-60-39.8177.7-69.6-174.4-175.5172.22.4112.8V14 S91 L97V14-R93 HydrophobicContact CG2-CB 4.17Å; S91-R93 PolarHBondContact O-N 3.08Å; S91-R93 VanDerWaalsContact O-N 3.07Å; S91-R93 WeakPolarHBondContact OG-CB 3.37Å; S91-R93 PolarHBondContact OG-N 2.64Å; R93-L97 PolarHBondContact O-N 3.2Å
94T72.8Confident72.1Confident60 Ų6073.2 Ų73.237%0.36837%0.366SS..Hα-helixtrans-73.8-37.4-178.9-49.10000111.3V89 S91 R92 R96 L97 L98V89-T94 HydrophobicContact CG1-CG2 3.62Å; S91-T94 PolarHBondContact O-N 3.16Å; R92-T94 VanDerWaalsContact C-N 3.33Å; R92-T94 PolarHBondContact O-N 2.95Å; T94-R96 PolarHBondContact O-N 3.07Å; T94-L97 WeakPolarHBondContact O-CB 3.23Å; T94-L97 PolarHBondContact O-N 2.64Å; T94-L97 VanDerWaalsContact O-N 3.14Å; T94-L98 PolarHBondContact O-N 2.97Å; T94-L98 VanDerWaalsContact O-N 3.15Å
95R75.3Confident73Confident65 Ų6573.9 Ų73.925%0.24537%0.369CS..Hα-helixtrans-62-43.1174.3-68.9176.3179.4162.34.2111.9R84 V89 R92 L97 L98 D99 E419R84-R95 HydrophobicContact CG-CG 4.26Å; R84-R95 PolarHBondContact O-NE 3.13Å; R84-R95 VanDerWaalsContact O-NE 3.14Å; V89-R95 HydrophobicContact CG1-CG 4.39Å; R92-R95 PolarHBondContact O-N 3.49Å; R95-L97 PolarHBondContact O-N 3.32Å; R95-L98 WeakPolarHBondContact O-CB 3.18Å; R95-L98 PolarHBondContact O-N 2.8Å; R95-L98 VanDerWaalsContact O-N 3.11Å; R95-D99 PolarHBondContact O-N 2.85Å; R95-D99 VanDerWaalsContact O-N 3.11Å; R95-E419 WeakPolarHBondContact CD-OE1 3.49Å; R95-E419 IonicContact NH1-OE1 3.66Å
96R75.4Confident74.4Confident32 Ų3276 Ų7612%0.12137%0.371CS..Hα-helixtrans-61.9-29.4174.5-69.417678-159.7-3.2113.1A10 N11 R92 T94 Y572 N573A10-R96 PolarHBondContact O-NH1 3.37Å; N11-R96 PolarHBondContact OD1-NH2 2.92Å; R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 3.45Å; R92-R96 VanDerWaalsContact O-N 3.13Å; T94-R96 PolarHBondContact O-N 3.07Å; R96-Y572 PolarHBondContact NH2-O 3.23Å; R96-N573 PolarHBondContact NE-OD1 2.88Å
97L77.8Confident75.5Confident53 Ų5376.4 Ų76.428%0.27737%0.372SS..Hα-helixtrans-69.2-44.3173.2-179.765.1000111.3V14 C18 R93 T94 R95 D99 K100V14-L97 HydrophobicContact CG1-CB 4.12Å; V14-L97 HydrophobicContact CG1-CD1 4.31Å; V14-L97 HydrophobicContact CG1-CD2 4.14Å; V14-L97 HydrophobicContact CG1-CG 4.42Å; C18-L97 HydrophobicContact CB-CD1 3.9Å; C18-L97 HydrophobicContact CB-CD2 4.38Å; R93-L97 PolarHBondContact O-N 3.2Å; T94-L97 WeakPolarHBondContact O-CB 3.23Å; T94-L97 PolarHBondContact O-N 2.64Å; T94-L97 VanDerWaalsContact O-N 3.14Å; R95-L97 PolarHBondContact O-N 3.32Å; L97-D99 PolarHBondContact O-N 3.12Å; L97-K100 PolarHBondContact O-N 3.19Å
98L77.3Confident77.4Confident36 Ų3667.3 Ų67.319%0.18833%0.33CS..Hα-helixtrans-60.7-34.8177.5-62.6175.7000111.7L80 L83 R84 T94 R95 K100 S101L80-L98 HydrophobicContact CD2-CD2 3.89Å; L83-L98 HydrophobicContact CB-CD1 4.04Å; R84-L98 HydrophobicContact CB-CD1 4.2Å; T94-L98 PolarHBondContact O-N 2.97Å; T94-L98 VanDerWaalsContact O-N 3.15Å; R95-L98 WeakPolarHBondContact O-CB 3.18Å; R95-L98 PolarHBondContact O-N 2.8Å; R95-L98 VanDerWaalsContact O-N 3.11Å; L98-K100 PolarHBondContact O-N 3.25Å; L98-K100 VanDerWaalsContact O-N 3.16Å; L98-S101 VanDerWaalsContact O-CB 3.26Å; L98-S101 WeakPolarHBondContact O-CB 3.43Å; L98-S101 PolarHBondContact O-N 3.33Å; L98-S101 VanDerWaalsContact O-N 3.11Å; L98-S101 PolarHBondContact O-OG 3.4Å
99D75.7Confident79.3Confident49 Ų4959.1 Ų59.126%0.26230%0.299SS..THydrogen-bonded Turntrans-65.1-15.6175.7-66.4-27.4000113.6R84 R95 L97 P416R84-D99 IonicContact CZ-OD1 3.01Å; R84-D99 IonicContact NH1-OD1 3.96Å; R84-D99 PolarHBondContact NH1-OD1 3.17Å; R84-D99 IonicContact NH1-OD2 2.86Å; R95-D99 PolarHBondContact O-N 2.85Å; R95-D99 VanDerWaalsContact O-N 3.11Å; L97-D99 PolarHBondContact O-N 3.12Å; D99-P416 HydrophobicContact CB-CG 4.15Å; D99-P416 WeakPolarHBondContact OD2-CG 3.37Å
100K80.8Confident81.2Confident86 Ų8661.8 Ų61.837%0.37432%0.315SS..THydrogen-bonded Turntrans-97.110.6176.3-60.5-58.6-176.7-172.10113.6L97 L98 R102 T103 F104L97-K100 PolarHBondContact O-N 3.19Å; L98-K100 PolarHBondContact O-N 3.25Å; L98-K100 VanDerWaalsContact O-N 3.16Å; K100-R102 VanDerWaalsContact C-N 3.3Å; K100-R102 PolarHBondContact O-N 3.06Å; K100-T103 WeakPolarHBondContact O-CB 3.49Å; K100-T103 PolarHBondContact O-N 3.24Å; K100-F104 PolarHBondContact O-N 2.9Å; K100-F104 VanDerWaalsContact O-N 3.16Å
101S85.3Confident83.3Confident29 Ų2956.5 Ų56.520%0.20328%0.281CS..Hα-helixtrans-52.1-43.7179.6650000113.1P74 L98 T103 F104 H105P74-S101 WeakPolarHBondContact CB-O 3.42Å; L98-S101 VanDerWaalsContact O-CB 3.26Å; L98-S101 WeakPolarHBondContact O-CB 3.43Å; L98-S101 PolarHBondContact O-N 3.33Å; L98-S101 VanDerWaalsContact O-N 3.11Å; L98-S101 PolarHBondContact O-OG 3.4Å; S101-T103 VanDerWaalsContact C-N 3.3Å; S101-T103 PolarHBondContact O-N 3.49Å; S101-F104 WeakPolarHBondContact O-CB 3.41Å; S101-F104 PolarHBondContact O-N 2.89Å; S101-F104 VanDerWaalsContact O-N 3.12Å; S101-H105 PolarHBondContact O-N 3.24Å
102R86.1Confident84.8Confident110 Ų11054.6 Ų54.642%0.41527%0.267SS..Hα-helixtrans-58.3-39.6176.2-177.2-179.1179.1-175.52.6112.5K100 H105 I106 S578K100-R102 VanDerWaalsContact C-N 3.3Å; K100-R102 PolarHBondContact O-N 3.06Å; R102-H105 PolarHBondContact O-N 3.38Å; R102-I106 HydrophobicContact CG-CD1 4.31Å; R102-I106 WeakPolarHBondContact O-CG1 3.41Å; R102-I106 PolarHBondContact O-N 2.93Å; R102-S578 PolarHBondContact NH1-O 3.42Å; R102-S578 PolarHBondContact NH2-O 2.69Å
103T87.3Confident85.9Confident70 Ų7052 Ų5243%0.42926%0.263SS..Hα-helixtrans-66.3-42.5177.8-54.50000110.4K100 S101 I106 T107K100-T103 WeakPolarHBondContact O-CB 3.49Å; K100-T103 PolarHBondContact O-N 3.24Å; S101-T103 VanDerWaalsContact C-N 3.3Å; S101-T103 PolarHBondContact O-N 3.49Å; T103-I106 PolarHBondContact O-N 3.02Å; T103-T107 PolarHBondContact O-N 2.81Å; T103-T107 PolarHBondContact O-OG1 3.1Å; T103-T107 VanDerWaalsContact O-OG1 3.14Å
104F90.2Very high87.1Confident51 Ų5150.2 Ų50.222%0.22426%0.262CS..Hα-helixtrans-62.3-42.2176.2-177.4-107.4000112.4W22 L70 P74 K100 S101 I106 T107 C108W22-F104 HydrophobicContact CB-CE2 4.14Å; W22-F104 AromaticContact CD1-CE2 3.77Å; W22-F104 AromaticContact CD1-CZ 3.71Å; W22-F104 HydrophobicContact CD2-CE2 4.18Å; W22-F104 AromaticContact CG-CE2 3.75Å; W22-F104 HydrophobicContact CG-CE2 3.75Å; W22-F104 HydrophobicContact CG-CZ 4.15Å; L70-F104 HydrophobicContact CB-CE1 4.46Å; L70-F104 HydrophobicContact CD1-CZ 4.42Å; P74-F104 HydrophobicContact CG-CD1 3.64Å; P74-F104 HydrophobicContact CG-CE1 4.27Å; K100-F104 PolarHBondContact O-N 2.9Å; K100-F104 VanDerWaalsContact O-N 3.16Å; S101-F104 WeakPolarHBondContact O-CB 3.41Å; S101-F104 PolarHBondContact O-N 2.89Å; S101-F104 VanDerWaalsContact O-N 3.12Å; F104-I106 VanDerWaalsContact C-N 3.34Å; F104-I106 PolarHBondContact O-N 3.19Å; F104-T107 PolarHBondContact O-N 3.07Å; F104-C108 PolarHBondContact O-N 2.91Å; F104-C108 PolarHBondContact O-SG 3Å; F104-C108 VanDerWaalsContact O-SG 3.4Å
105H92.6Very high88.2Confident24 Ų2449.7 Ų49.711%0.11126%0.255CS..Hα-helixtrans-56-45.8173.5172.891000112.5I71 P74 M75 S101 R102 C108 G109I71-H105 VanDerWaalsContact CG1-CE1 3.49Å; I71-H105 WeakPolarHBondContact CG1-CE1 3.27Å; I71-H105 VanDerWaalsContact CG1-ND1 3.3Å; I71-H105 WeakPolarHBondContact CG1-ND1 3.3Å; I71-H105 PolarHBondContact O-ND1 3.43Å; P74-H105 HydrophobicContact CB-CB 3.95Å; P74-H105 HydrophobicContact CG-CB 4.25Å; M75-H105 HydrophobicContact CE-CB 3.93Å; M75-H105 WeakPolarHBondContact CE-CD2 3.5Å; M75-H105 WeakPolarHBondContact CE-ND1 3.31Å; M75-H105 WeakPolarHBondContact CE-NE2 3.33Å; S101-H105 PolarHBondContact O-N 3.24Å; R102-H105 PolarHBondContact O-N 3.38Å; H105-C108 PolarHBondContact O-N 2.9Å; H105-G109 PolarHBondContact O-N 3.47Å
106I92.2Very high89.2Confident84 Ų8447.4 Ų47.443%0.43125%0.249SC..Hα-helixtrans-63.5-43.3178.5-64.8165.5000110.5R102 T103 F104 C108 G109 V110R102-I106 HydrophobicContact CG-CD1 4.31Å; R102-I106 WeakPolarHBondContact O-CG1 3.41Å; R102-I106 PolarHBondContact O-N 2.93Å; T103-I106 PolarHBondContact O-N 3.02Å; F104-I106 VanDerWaalsContact C-N 3.34Å; F104-I106 PolarHBondContact O-N 3.19Å; I106-C108 PolarHBondContact O-N 3.27Å; I106-G109 PolarHBondContact O-N 2.95Å; I106-V110 WeakPolarHBondContact O-CG2 3.16Å; I106-V110 PolarHBondContact O-N 3.44Å
107T92.3Very high90.2Very high41 Ų4148 Ų4825%0.25227%0.266SS..Hα-helixtrans-61.1-43.6176.6-56.10000112.2L19 W22 T103 F104 G109 V110 T111L19-T107 HydrophobicContact CD1-CG2 4.21Å; W22-T107 HydrophobicContact CH2-CG2 3.86Å; W22-T107 HydrophobicContact CZ3-CG2 3.92Å; T103-T107 PolarHBondContact O-N 2.81Å; T103-T107 PolarHBondContact O-OG1 3.1Å; T103-T107 VanDerWaalsContact O-OG1 3.14Å; F104-T107 PolarHBondContact O-N 3.07Å; T107-G109 VanDerWaalsContact C-N 3.35Å; T107-V110 PolarHBondContact O-N 2.9Å; T107-T111 PolarHBondContact O-N 2.66Å; T107-T111 PolarHBondContact O-OG1 3.04Å
108C94.4Very high91.1Very high0 Ų048.2 Ų48.20%027%0.269CS..Hα-helixtrans-60.7-44.5173.2-68.40000111.2I71 F104 H105 I106 V110 T111 I112I71-C108 HydrophobicContact CB-CB 4.22Å; I71-C108 HydrophobicContact CD1-CB 4.44Å; I71-C108 HydrophobicContact CG1-CB 4.27Å; F104-C108 PolarHBondContact O-N 2.91Å; F104-C108 PolarHBondContact O-SG 3Å; F104-C108 VanDerWaalsContact O-SG 3.4Å; H105-C108 PolarHBondContact O-N 2.9Å; I106-C108 PolarHBondContact O-N 3.27Å; C108-V110 PolarHBondContact O-N 3.28Å; C108-T111 WeakPolarHBondContact O-CB 3.46Å; C108-T111 PolarHBondContact O-N 2.85Å; C108-I112 WeakPolarHBondContact O-CG1 3.48Å; C108-I112 PolarHBondContact O-N 2.98Å
109G94.6Very high92Very high19 Ų1947.7 Ų47.720%0.19627%0.265CS..Hα-helixtrans-56.3-50.9176.800000112.4H105 I106 T107 T111 I112 C113H105-G109 PolarHBondContact O-N 3.47Å; I106-G109 PolarHBondContact O-N 2.95Å; T107-G109 VanDerWaalsContact C-N 3.35Å; G109-T111 VanDerWaalsContact C-N 3.27Å; G109-T111 PolarHBondContact O-N 3.25Å; G109-I112 WeakPolarHBondContact O-CB 3.42Å; G109-I112 PolarHBondContact O-N 3.29Å; G109-C113 PolarHBondContact O-N 3.18Å; G109-C113 VanDerWaalsContact O-N 3.08Å; G109-C113 PolarHBondContact O-SG 3.3Å
110V94.8Very high93Very high79 Ų7947.9 Ų47.948%0.47927%0.268SS..Hα-helixtrans-59.1-40176.7173.10000111.6I106 T107 C108 C113 I114I106-V110 WeakPolarHBondContact O-CG2 3.16Å; I106-V110 PolarHBondContact O-N 3.44Å; T107-V110 PolarHBondContact O-N 2.9Å; C108-V110 PolarHBondContact O-N 3.28Å; V110-C113 WeakPolarHBondContact O-CB 3.44Å; V110-C113 PolarHBondContact O-N 3.17Å; V110-I114 HydrophobicContact CG1-CD1 3.95Å; V110-I114 WeakPolarHBondContact O-CG1 3.36Å; V110-I114 PolarHBondContact O-N 3.36Å
111T95.4Very high93.7Very high17 Ų1746.3 Ų46.310%0.10427%0.271CS..Hα-helixtrans-65.3-42.2178.5-54.20000111.8W22 T107 C108 G109 C113 I114 F115W22-T111 HydrophobicContact CH2-CG2 4.12Å; W22-T111 WeakPolarHBondContact CH2-OG1 3.25Å; W22-T111 HydrophobicContact CZ2-CG2 3.99Å; W22-T111 WeakPolarHBondContact CZ2-OG1 3.39Å; T107-T111 PolarHBondContact O-N 2.66Å; T107-T111 PolarHBondContact O-OG1 3.04Å; C108-T111 WeakPolarHBondContact O-CB 3.46Å; C108-T111 PolarHBondContact O-N 2.85Å; G109-T111 VanDerWaalsContact C-N 3.27Å; G109-T111 PolarHBondContact O-N 3.25Å; T111-C113 VanDerWaalsContact C-N 3.25Å; T111-C113 PolarHBondContact O-N 3.37Å; T111-I114 PolarHBondContact O-N 2.81Å; T111-F115 HydrophobicContact CG2-CD2 3.68Å; T111-F115 HydrophobicContact CG2-CE2 3.91Å; T111-F115 WeakPolarHBondContact O-CD2 3.46Å; T111-F115 PolarHBondContact O-N 3.33Å
112I96.3Very high94.2Very high9 Ų945.2 Ų45.25%0.04626%0.264CS..Hα-helixtrans-58.4-41.3173.4-68.3165.3000110.1L64 N67 I71 C108 G109 S116 L171L64-I112 HydrophobicContact CD2-CB 4.36Å; L64-I112 HydrophobicContact CD2-CG2 4.05Å; L64-I112 WeakPolarHBondContact CD2-O 3.26Å; N67-I112 HydrophobicContact CB-CD1 4.12Å; N67-I112 HydrophobicContact CB-CG1 3.64Å; I71-I112 HydrophobicContact CB-CD1 4.31Å; I71-I112 HydrophobicContact CD1-CD1 3.71Å; I71-I112 HydrophobicContact CG2-CD1 4.29Å; C108-I112 WeakPolarHBondContact O-CG1 3.48Å; C108-I112 PolarHBondContact O-N 2.98Å; G109-I112 WeakPolarHBondContact O-CB 3.42Å; G109-I112 PolarHBondContact O-N 3.29Å; I112-S116 WeakPolarHBondContact O-CB 3.42Å; I112-S116 PolarHBondContact O-N 2.85Å; I112-S116 PolarHBondContact O-OG 3.46Å; I112-L171 HydrophobicContact CG2-CD1 4.46Å; I112-L171 HydrophobicContact CG2-CD2 4.42Å
113C95.5Very high94.5Very high38 Ų3842.7 Ų42.726%0.25726%0.257SS..Hα-helixtrans-61.5-50.7178.7-540000111.6G109 V110 T111 S116 G117 I175G109-C113 PolarHBondContact O-N 3.18Å; G109-C113 VanDerWaalsContact O-N 3.08Å; G109-C113 PolarHBondContact O-SG 3.3Å; V110-C113 WeakPolarHBondContact O-CB 3.44Å; V110-C113 PolarHBondContact O-N 3.17Å; T111-C113 VanDerWaalsContact C-N 3.25Å; T111-C113 PolarHBondContact O-N 3.37Å; C113-S116 PolarHBondContact O-N 3.31Å; C113-G117 PolarHBondContact O-N 2.92Å; C113-G117 VanDerWaalsContact O-N 3.11Å; C113-I175 HydrophobicContact CB-CD1 4.02Å; C113-I175 WeakPolarHBondContact SG-CD1 3.27Å; C113-I175 VanDerWaalsContact SG-CG1 3.53Å
114I96Very high94.8Very high103 Ų10343.6 Ų43.653%0.52826%0.258SS..Hα-helixtrans-61.4-52-177.9-66.6167.8000110.3V110 T111 S116 G117 V118V110-I114 HydrophobicContact CG1-CD1 3.95Å; V110-I114 WeakPolarHBondContact O-CG1 3.36Å; V110-I114 PolarHBondContact O-N 3.36Å; T111-I114 PolarHBondContact O-N 2.81Å; I114-S116 VanDerWaalsContact C-N 3.32Å; I114-S116 PolarHBondContact O-N 3.33Å; I114-G117 PolarHBondContact O-N 3.24Å; I114-V118 PolarHBondContact O-N 3.48Å; I114-V118 VanDerWaalsContact O-N 3.14Å
115F96.9Very high95Very high48 Ų4844.8 Ų44.821%0.21127%0.269CS..Hα-helixtrans-72.3-24.5-178.2-79.2-81.8000113.2F30 V63 L64 T111 V118 H119F30-F115 HydrophobicContact CD2-CD1 4.43Å; F30-F115 AromaticContact CD2-CE1 3.7Å; F30-F115 HydrophobicContact CD2-CE1 3.7Å; F30-F115 HydrophobicContact CE2-CD1 4.41Å; F30-F115 AromaticContact CE2-CE1 3.83Å; F30-F115 HydrophobicContact CE2-CE1 3.83Å; V63-F115 HydrophobicContact CB-CD1 4.2Å; V63-F115 HydrophobicContact CB-CE1 4.39Å; V63-F115 HydrophobicContact CB-CG 4.29Å; V63-F115 HydrophobicContact CG1-CB 4.32Å; V63-F115 HydrophobicContact CG1-CD1 3.97Å; V63-F115 HydrophobicContact CG1-CD2 3.53Å; V63-F115 HydrophobicContact CG1-CE1 4.13Å; V63-F115 HydrophobicContact CG1-CE2 3.71Å; V63-F115 HydrophobicContact CG1-CG 3.66Å; V63-F115 HydrophobicContact CG1-CZ 4Å; V63-F115 HydrophobicContact CG2-CE1 4.32Å; L64-F115 HydrophobicContact CD2-CB 3.91Å; L64-F115 HydrophobicContact CG-CB 4.05Å; T111-F115 HydrophobicContact CG2-CD2 3.68Å; T111-F115 HydrophobicContact CG2-CE2 3.91Å; T111-F115 WeakPolarHBondContact O-CD2 3.46Å; T111-F115 PolarHBondContact O-N 3.33Å; F115-V118 PolarHBondContact O-N 2.98Å; F115-H119 WeakPolarHBondContact O-CB 3.28Å; F115-H119 PolarHBondContact O-N 3.14Å
116S96.6Very high95Very high18 Ų1843.8 Ų43.813%0.12627%0.265CS..Hα-helixtrans-65.5-41.1170-62.80000110.9L64 I112 C113 I114 H119 V120 L171L64-S116 WeakPolarHBondContact CD2-OG 3.33Å; I112-S116 WeakPolarHBondContact O-CB 3.42Å; I112-S116 PolarHBondContact O-N 2.85Å; I112-S116 PolarHBondContact O-OG 3.46Å; C113-S116 PolarHBondContact O-N 3.31Å; I114-S116 VanDerWaalsContact C-N 3.32Å; I114-S116 PolarHBondContact O-N 3.33Å; S116-H119 PolarHBondContact O-N 3.25Å; S116-V120 WeakPolarHBondContact O-CB 3.44Å; S116-V120 VanDerWaalsContact O-CG2 3.25Å; S116-V120 WeakPolarHBondContact O-CG2 3.38Å; S116-V120 PolarHBondContact O-N 3Å; S116-L171 WeakPolarHBondContact OG-CD2 3.25Å
117G96.5Very high94.9Very high45 Ų4540 Ų4046%0.46425%0.247SC..Hα-helixtrans-60.4-47.6173.800000112.4C113 I114 H119 V120 A121C113-G117 PolarHBondContact O-N 2.92Å; C113-G117 VanDerWaalsContact O-N 3.11Å; I114-G117 PolarHBondContact O-N 3.24Å; G117-H119 VanDerWaalsContact C-N 3.34Å; G117-H119 PolarHBondContact O-N 3.49Å; G117-V120 PolarHBondContact O-N 3.36Å; G117-A121 WeakPolarHBondContact O-CB 3.18Å; G117-A121 PolarHBondContact O-N 3.21Å
118V96.6Very high94.9Very high57 Ų5744 Ų4435%0.34526%0.26SS..Hα-helixtrans-60.8-43.5175.6176.10000111.4I114 F115 A121 A122I114-V118 PolarHBondContact O-N 3.48Å; I114-V118 VanDerWaalsContact O-N 3.14Å; F115-V118 PolarHBondContact O-N 2.98Å; V118-A121 PolarHBondContact O-N 3.46Å; V118-A122 WeakPolarHBondContact O-CB 3.32Å; V118-A122 PolarHBondContact O-N 3.28Å
119H96Very high94.7Very high25 Ų2545.6 Ų45.612%0.11627%0.269CS..Hα-helixtrans-62.7-47.5-179.9-178.774.2000112.2S57 S60 L64 F115 S116 G117 A122 H123S57-H119 PolarHBondContact O-ND1 2.9Å; S57-H119 VanDerWaalsContact O-ND1 3.07Å; S60-H119 WeakPolarHBondContact OG-CA 3.32Å; S60-H119 WeakPolarHBondContact OG-CB 3.33Å; S60-H119 PolarHBondContact OG-ND1 2.73Å; L64-H119 HydrophobicContact CD1-CB 3.83Å; F115-H119 WeakPolarHBondContact O-CB 3.28Å; F115-H119 PolarHBondContact O-N 3.14Å; S116-H119 PolarHBondContact O-N 3.25Å; G117-H119 VanDerWaalsContact C-N 3.34Å; G117-H119 PolarHBondContact O-N 3.49Å; H119-A122 PolarHBondContact O-N 3.19Å; H119-H123 AromaticContact CD2-CD2 3.73Å; H119-H123 AromaticContact CE1-CD2 3.24Å; H119-H123 PolarHBondContact CE1-CD2 3.47Å; H119-H123 AromaticContact CE1-NE2 2.99Å; H119-H123 PolarHBondContact CE1-NE2 3.27Å; H119-H123 AromaticContact CG-CD2 3.95Å; H119-H123 AromaticContact ND1-CD2 3.67Å; H119-H123 AromaticContact ND1-NE2 3.71Å; H119-H123 AromaticContact NE2-CD2 3.29Å; H119-H123 PolarHBondContact NE2-CD2 2.92Å; H119-H123 VanDerWaalsContact NE2-CD2 3.29Å; H119-H123 AromaticContact NE2-NE2 3.38Å; H119-H123 PolarHBondContact NE2-NE2 3.2Å; H119-H123 PolarHBondContact O-CD2 3.13Å; H119-H123 VanDerWaalsContact O-CD2 3.3Å; H119-H123 PolarHBondContact O-N 2.98Å
120V95.6Very high94.4Very high53 Ų5344.9 Ų44.932%0.32126%0.261SS..Hα-helixtrans-61.9-48176.5172.40000110.5S116 G117 A122 H123 L124 V168S116-V120 WeakPolarHBondContact O-CB 3.44Å; S116-V120 VanDerWaalsContact O-CG2 3.25Å; S116-V120 WeakPolarHBondContact O-CG2 3.38Å; S116-V120 PolarHBondContact O-N 3Å; G117-V120 PolarHBondContact O-N 3.36Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.39Å; V120-H123 PolarHBondContact O-N 3Å; V120-H123 VanDerWaalsContact O-N 3.14Å; V120-L124 HydrophobicContact CG1-CD1 4.25Å; V120-L124 HydrophobicContact CG1-CG 4.43Å; V120-L124 WeakPolarHBondContact O-CG 3.34Å; V120-L124 PolarHBondContact O-N 3Å; V120-V168 HydrophobicContact CG2-CG2 3.57Å
121A95.8Very high94.1Very high52 Ų5241.5 Ų41.543%0.4324%0.241SC..Hα-helixtrans-58.4-44.1178.500000111.9G117 V118 H123 L124 V125G117-A121 WeakPolarHBondContact O-CB 3.18Å; G117-A121 PolarHBondContact O-N 3.21Å; V118-A121 PolarHBondContact O-N 3.46Å; A121-H123 PolarHBondContact O-N 2.84Å; A121-L124 PolarHBondContact O-N 3.24Å; A121-V125 WeakPolarHBondContact O-CG2 3.46Å; A121-V125 PolarHBondContact O-N 2.7Å; A121-V125 VanDerWaalsContact O-N 3.16Å
122A95.5Very high93.8Very high6 Ų643.1 Ų43.15%0.0525%0.25CS..Hα-helixtrans-64.2-38.9176.400000112.3L56 V118 H119 V120 V125 N126L56-A122 HydrophobicContact CB-CB 3.91Å; V118-A122 WeakPolarHBondContact O-CB 3.32Å; V118-A122 PolarHBondContact O-N 3.28Å; H119-A122 PolarHBondContact O-N 3.19Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.39Å; A122-V125 PolarHBondContact O-N 3.09Å; A122-N126 PolarHBondContact O-N 3.34Å; A122-N126 PolarHBondContact O-ND2 3.45Å
123H93.4Very high93.4Very high58 Ų5846 Ų4627%0.26927%0.266SS..Hα-helixtrans-68.9-32.4175.5-86.6-64.1000113.8H119 V120 A121 N126 A127H119-H123 AromaticContact CD2-CD2 3.73Å; H119-H123 AromaticContact CE1-CD2 3.24Å; H119-H123 PolarHBondContact CE1-CD2 3.47Å; H119-H123 AromaticContact CE1-NE2 2.99Å; H119-H123 PolarHBondContact CE1-NE2 3.27Å; H119-H123 AromaticContact CG-CD2 3.95Å; H119-H123 AromaticContact ND1-CD2 3.67Å; H119-H123 AromaticContact ND1-NE2 3.71Å; H119-H123 AromaticContact NE2-CD2 3.29Å; H119-H123 PolarHBondContact NE2-CD2 2.92Å; H119-H123 VanDerWaalsContact NE2-CD2 3.29Å; H119-H123 AromaticContact NE2-NE2 3.38Å; H119-H123 PolarHBondContact NE2-NE2 3.2Å; H119-H123 PolarHBondContact O-CD2 3.13Å; H119-H123 VanDerWaalsContact O-CD2 3.3Å; H119-H123 PolarHBondContact O-N 2.98Å; V120-H123 PolarHBondContact O-N 3Å; V120-H123 VanDerWaalsContact O-N 3.14Å; A121-H123 PolarHBondContact O-N 2.84Å; H123-N126 PolarHBondContact O-N 3.41Å; H123-A127 WeakPolarHBondContact O-CB 3.43Å; H123-A127 PolarHBondContact O-N 3.14Å
124L93.2Very high92.9Very high89 Ų8946.2 Ų46.247%0.46626%0.261SS..Hα-helixtrans-64.3-42.8172.4-67.9174.6000111.3V120 A121 A127 F128 L155V120-L124 HydrophobicContact CG1-CD1 4.25Å; V120-L124 HydrophobicContact CG1-CG 4.43Å; V120-L124 WeakPolarHBondContact O-CG 3.34Å; V120-L124 PolarHBondContact O-N 3Å; A121-L124 PolarHBondContact O-N 3.24Å; L124-A127 PolarHBondContact O-N 3.19Å; L124-F128 PolarHBondContact O-N 3.41Å; L124-F128 VanDerWaalsContact O-N 3.15Å; L124-L155 HydrophobicContact CD2-CD1 3.72Å; L124-L155 HydrophobicContact CD2-CD2 4.2Å
125V94.2Very high92.3Very high75 Ų7542.5 Ų42.546%0.45524%0.244SC..Hα-helixtrans-62.5-43.9173.3175.10000110.7A121 A122 A127 F128 N129A121-V125 WeakPolarHBondContact O-CG2 3.46Å; A121-V125 PolarHBondContact O-N 2.7Å; A121-V125 VanDerWaalsContact O-N 3.16Å; A122-V125 PolarHBondContact O-N 3.09Å; V125-A127 PolarHBondContact O-N 3.37Å; V125-F128 WeakPolarHBondContact O-CB 3.19Å; V125-F128 PolarHBondContact O-N 3.4Å; V125-N129 PolarHBondContact O-N 2.81Å
126N92.3Very high91.5Very high3 Ų347.5 Ų47.52%0.01627%0.268CS..Hα-helixtrans-63.7-39177.4-68.8-24.1000112.7L50 G53 L54 S57 A122 H123 F128 N129 F130L50-N126 HydrophobicContact CD2-CB 4.14Å; G53-N126 VanDerWaalsContact C-ND2 3.27Å; G53-N126 WeakPolarHBondContact CA-OD1 3.49Å; G53-N126 PolarHBondContact O-ND2 2.96Å; G53-N126 PolarHBondContact O-OD1 2.99Å; L54-N126 PolarHBondContact N-OD1 3.45Å; L54-N126 VanDerWaalsContact N-OD1 3.08Å; S57-N126 PolarHBondContact OG-ND2 3.25Å; A122-N126 PolarHBondContact O-N 3.34Å; A122-N126 PolarHBondContact O-ND2 3.45Å; H123-N126 PolarHBondContact O-N 3.41Å; N126-F128 VanDerWaalsContact C-N 3.29Å; N126-F128 PolarHBondContact O-N 3.15Å; N126-N129 PolarHBondContact O-N 3.04Å; N126-F130 WeakPolarHBondContact O-CB 3.44Å; N126-F130 WeakPolarHBondContact O-CD2 3.38Å; N126-F130 PolarHBondContact O-N 3.14Å
127A90.9Very high90.4Very high6 Ų650.4 Ų50.45%0.0528%0.283CS..Hα-helixtrans-62.9-38.4176.900000111.6H123 L124 V125 S131 P151 L154H123-A127 WeakPolarHBondContact O-CB 3.43Å; H123-A127 PolarHBondContact O-N 3.14Å; L124-A127 PolarHBondContact O-N 3.19Å; V125-A127 PolarHBondContact O-N 3.37Å; A127-S131 PolarHBondContact O-N 3.15Å; A127-P151 HydrophobicContact CB-CB 4.21Å; A127-L154 HydrophobicContact CB-CD2 3.9Å
128F91.8Very high89.6Confident123 Ų12350.5 Ų50.554%0.53927%0.27SS..Hα-helixtrans-66.5-46.6172.6-175-96.3000111.8L124 V125 N126 F130 S131 V132 P151L124-F128 PolarHBondContact O-N 3.41Å; L124-F128 VanDerWaalsContact O-N 3.15Å; V125-F128 WeakPolarHBondContact O-CB 3.19Å; V125-F128 PolarHBondContact O-N 3.4Å; N126-F128 VanDerWaalsContact C-N 3.29Å; N126-F128 PolarHBondContact O-N 3.15Å; F128-F130 PolarHBondContact O-N 3.35Å; F128-S131 WeakPolarHBondContact O-CB 3.26Å; F128-S131 PolarHBondContact O-N 3.11Å; F128-V132 HydrophobicContact CD1-CG2 4.19Å; F128-V132 HydrophobicContact CE1-CG2 3.71Å; F128-V132 HydrophobicContact CE2-CG2 4.21Å; F128-V132 HydrophobicContact CZ-CG2 3.72Å; F128-V132 PolarHBondContact O-N 3.33Å; F128-V132 VanDerWaalsContact O-N 3.08Å; F128-P151 HydrophobicContact CD2-CG 4.31Å
129N90.6Very high88.7Confident34 Ų3452.1 Ų52.118%0.18228%0.28CS..Hα-helixtrans-64-37.8179.9-70.6-11.7000112.4L50 V125 N126 S131 V132 N133L50-N129 HydrophobicContact CD2-CB 4.03Å; L50-N129 PolarHBondContact O-ND2 3.13Å; V125-N129 PolarHBondContact O-N 2.81Å; N126-N129 PolarHBondContact O-N 3.04Å; N129-S131 PolarHBondContact O-N 3.14Å; N129-V132 PolarHBondContact O-N 3.44Å; N129-N133 WeakPolarHBondContact O-CA 3.17Å; N129-N133 VanDerWaalsContact O-CB 3.28Å; N129-N133 WeakPolarHBondContact O-CB 3.34Å; N129-N133 PolarHBondContact O-N 3.47Å
130F88.6Confident87.8Confident5 Ų556.4 Ų56.42%0.02230%0.3CS..Hα-helixtrans-61.8-29.8173.1-86.7-55.7000113.5L46 M49 L50 N126 F128 A143 A144 L154 L212 L213L46-F130 HydrophobicContact CD1-CE1 4.37Å; L46-F130 HydrophobicContact CD1-CZ 4.3Å; M49-F130 HydrophobicContact CE-CD1 4.38Å; L50-F130 HydrophobicContact CD1-CE1 4.2Å; L50-F130 HydrophobicContact CD1-CE2 3.85Å; L50-F130 HydrophobicContact CD1-CZ 3.59Å; L50-F130 HydrophobicContact CD2-CD1 3.86Å; L50-F130 HydrophobicContact CD2-CD2 3.64Å; L50-F130 HydrophobicContact CD2-CE1 3.88Å; L50-F130 HydrophobicContact CD2-CE2 3.66Å; L50-F130 HydrophobicContact CD2-CG 3.74Å; L50-F130 HydrophobicContact CD2-CZ 3.79Å; L50-F130 HydrophobicContact CG-CE1 4.27Å; L50-F130 HydrophobicContact CG-CE2 4.34Å; L50-F130 HydrophobicContact CG-CZ 4.11Å; N126-F130 WeakPolarHBondContact O-CB 3.44Å; N126-F130 WeakPolarHBondContact O-CD2 3.38Å; N126-F130 PolarHBondContact O-N 3.14Å; F128-F130 PolarHBondContact O-N 3.35Å; F130-A143 HydrophobicContact CB-CB 4.44Å; F130-A143 HydrophobicContact CD1-CB 3.85Å; F130-A143 HydrophobicContact CD2-CB 3.78Å; F130-A143 HydrophobicContact CE1-CB 3.9Å; F130-A143 HydrophobicContact CE2-CB 3.83Å; F130-A143 HydrophobicContact CG-CB 3.79Å; F130-A143 HydrophobicContact CZ-CB 3.87Å; F130-A144 WeakPolarHBondContact O-CB 3.41Å; F130-L154 HydrophobicContact CB-CD2 4.37Å; F130-L154 HydrophobicContact CD2-CD2 4.23Å; F130-L212 HydrophobicContact CE2-CD2 4.16Å; F130-L213 HydrophobicContact CE2-CD2 4.37Å; F130-L213 HydrophobicContact CZ-CD2 4.09Å
131S88.9Confident87.1Confident8 Ų854 Ų546%0.05629%0.286CS..Hα-helixtrans-77-47.5177.8175.90000111.7A127 F128 N129 N148 E149A127-S131 PolarHBondContact O-N 3.15Å; F128-S131 WeakPolarHBondContact O-CB 3.26Å; F128-S131 PolarHBondContact O-N 3.11Å; N129-S131 PolarHBondContact O-N 3.14Å; S131-N148 PolarHBondContact O-N 3.23Å; S131-N148 VanDerWaalsContact OG-C 3.29Å; S131-N148 VanDerWaalsContact OG-CA 3.29Å; S131-N148 WeakPolarHBondContact OG-CA 3.31Å; S131-E149 VanDerWaalsContact CB-O 3.23Å; S131-E149 WeakPolarHBondContact CB-O 3.48Å; S131-E149 PolarHBondContact OG-N 2.9Å; S131-E149 PolarHBondContact OG-O 2.82Å
132V88.8Confident86.5Confident50 Ų5052.6 Ų52.630%0.30327%0.271SS..Hα-helixtrans-77.7-43.4-175177.70000112.2F128 N129 Y134F128-V132 HydrophobicContact CD1-CG2 4.19Å; F128-V132 HydrophobicContact CE1-CG2 3.71Å; F128-V132 HydrophobicContact CE2-CG2 4.21Å; F128-V132 HydrophobicContact CZ-CG2 3.72Å; F128-V132 PolarHBondContact O-N 3.33Å; F128-V132 VanDerWaalsContact O-N 3.08Å; N129-V132 PolarHBondContact O-N 3.44Å; V132-Y134 VanDerWaalsContact C-N 3.29Å; V132-Y134 PolarHBondContact O-N 3.18Å
133N87.3Confident85.9Confident70 Ų7053.3 Ų53.337%0.37428%0.277SS..THydrogen-bonded Turntrans-94.730.5-175-58.4-24.8000112.3M49 N129 S135M49-N133 PolarHBondContact O-ND2 2.82Å; N129-N133 WeakPolarHBondContact O-CA 3.17Å; N129-N133 VanDerWaalsContact O-CB 3.28Å; N129-N133 WeakPolarHBondContact O-CB 3.34Å; N129-N133 PolarHBondContact O-N 3.47Å; N133-S135 PolarHBondContact O-N 2.78Å
134Y85.7Confident85.3Confident42 Ų4251 Ų5117%0.16527%0.267CS..  trans-58.1124.3174.9-179.1-86.3000110.2V132 E136 N142 A144 R145 R147V132-Y134 VanDerWaalsContact C-N 3.29Å; V132-Y134 PolarHBondContact O-N 3.18Å; Y134-E136 HydrophobicContact CD1-CG 4.35Å; Y134-E136 HydrophobicContact CE1-CG 3.93Å; Y134-N142 HydrophobicContact CD2-CB 3.88Å; Y134-N142 HydrophobicContact CE2-CB 3.77Å; Y134-N142 WeakPolarHBondContact CE2-ND2 3.19Å; Y134-A144 HydrophobicContact CD2-CB 4.3Å; Y134-A144 WeakPolarHBondContact CE2-O 3.36Å; Y134-R145 PolarHBondContact OH-O 3.46Å; Y134-R147 HydrophobicContact CD1-CB 4.15Å; Y134-R147 HydrophobicContact CG-CB 4.26Å
135S83.6Confident84.9Confident25 Ų2556 Ų5618%0.17528%0.28CS..  trans-106.2119.1179.1179.80000111.2N133 D137 F138 N142N133-S135 PolarHBondContact O-N 2.78Å; S135-D137 PolarHBondContact O-N 3.45Å; S135-D137 PolarHBondContact OG-N 3.3Å; S135-F138 PolarHBondContact O-N 2.92Å; S135-N142 PolarHBondContact N-OD1 3.17Å; S135-N142 PolarHBondContact O-ND2 3.16Å
136E80Confident84.4Confident153 Ų15357.7 Ų57.772%0.71528%0.279SS*.G310 helixtrans-66.3-21.4173.4-69.6178.5-174.200112.1Y134 V139Y134-E136 HydrophobicContact CD1-CG 4.35Å; Y134-E136 HydrophobicContact CE1-CG 3.93Å; E136-V139 WeakPolarHBondContact O-CG2 3.45Å
137D73.4Confident84.1Confident79 Ų7965.2 Ų65.242%0.42231%0.307SS..G310 helixtrans-78-27.6-178.6-57.1-23.2000112.7S135 R231S135-D137 PolarHBondContact O-N 3.45Å; S135-D137 PolarHBondContact OG-N 3.3Å; D137-R231 IonicContact OD1-CZ 3.81Å; D137-R231 IonicContact OD1-NH1 3.95Å; D137-R231 PolarHBondContact OD1-NH1 2.8Å; D137-R231 IonicContact OD1-NH2 3.26Å; D137-R231 PolarHBondContact OD1-NH2 2.82Å; D137-R231 IonicContact OD2-CZ 3.95Å; D137-R231 VanDerWaalsContact OD2-CZ 3.32Å; D137-R231 IonicContact OD2-NH1 2.75Å; D137-R231 PolarHBondContact OD2-NH1 3.43Å; D137-R231 IonicContact OD2-NH2 2.88Å; D137-R231 PolarHBondContact OD2-NH2 2.91Å; D137-R231 VanDerWaalsContact OD2-NH2 3.09Å
138F79Confident83.9Confident48 Ų4870.1 Ų70.121%0.21133%0.333CS..G310 helixtrans-125.857.2-175.1-52.2-55.9000110.5Y45 S135 E140 L141 N142 P274 F276Y45-F138 HydrophobicContact CD1-CE2 4.03Å; Y45-F138 HydrophobicContact CD1-CZ 4.14Å; Y45-F138 HydrophobicContact CE1-CE2 4.47Å; Y45-F138 HydrophobicContact CE1-CZ 4.21Å; S135-F138 PolarHBondContact O-N 2.92Å; F138-E140 PolarHBondContact O-N 2.69Å; F138-E140 VanDerWaalsContact O-N 3.16Å; F138-L141 HydrophobicContact CB-CB 4.08Å; F138-L141 WeakPolarHBondContact O-CB 3.12Å; F138-L141 PolarHBondContact O-N 3.43Å; F138-N142 PolarHBondContact O-N 3.36Å; F138-N142 PolarHBondContact O-ND2 3.28Å; F138-P274 HydrophobicContact CD1-CG 3.94Å; F138-P274 HydrophobicContact CE1-CG 3.49Å; F138-P274 VanDerWaalsContact CE1-CG 3.49Å; F138-F276 HydrophobicContact CB-CE2 4.39Å; F138-F276 HydrophobicContact CD1-CE2 4.03Å; F138-F276 HydrophobicContact CD1-CZ 4.26Å; F138-F276 HydrophobicContact CG-CE2 4.47Å
139V77.6Confident83.6Confident90 Ų9064.9 Ų64.955%0.54531%0.31SS..G310 helixtrans-53.3-38.5-178.3-176.50000111.9E136 L141 N142E136-V139 WeakPolarHBondContact O-CG2 3.45Å; V139-L141 PolarHBondContact O-N 2.86Å; V139-N142 PolarHBondContact O-N 3.48Å
140E77.6Confident83.6Confident115 Ų11566.7 Ų66.754%0.53732%0.32SS..G310 helixtrans-65.4-23.9179.6-62.2-167.9160.500113.7F138 K214 F276F138-E140 PolarHBondContact O-N 2.69Å; F138-E140 VanDerWaalsContact O-N 3.16Å; E140-K214 VanDerWaalsContact O-CD 3.26Å; E140-K214 WeakPolarHBondContact O-CD 3.33Å; E140-K214 WeakPolarHBondContact O-CE 3.39Å; E140-K214 PolarHBondContact O-NZ 3.04Å; E140-F276 HydrophobicContact CB-CD2 4.41Å
141L81.1Confident83.5Confident4 Ų468 Ų682%0.02133%0.329CS..G310 helixtrans-87.9-22.3-177.8-165.460.5000112.5L46 M49 F138 V139 K214 F276L46-L141 HydrophobicContact CB-CD1 4.27Å; L46-L141 HydrophobicContact CB-CD2 4.31Å; L46-L141 HydrophobicContact CD1-CD1 3.83Å; L46-L141 HydrophobicContact CD1-CD2 4.43Å; L46-L141 HydrophobicContact CD1-CG 4.01Å; L46-L141 HydrophobicContact CG-CD1 4.49Å; M49-L141 HydrophobicContact SD-CB 4.47Å; M49-L141 HydrophobicContact SD-CD2 3.59Å; M49-L141 VanDerWaalsContact SD-CD2 3.59Å; M49-L141 HydrophobicContact SD-CG 4.01Å; F138-L141 HydrophobicContact CB-CB 4.08Å; F138-L141 WeakPolarHBondContact O-CB 3.12Å; F138-L141 PolarHBondContact O-N 3.43Å; V139-L141 PolarHBondContact O-N 2.86Å; L141-K214 HydrophobicContact CD1-CB 4.11Å; L141-F276 HydrophobicContact CD1-CD1 3.99Å; L141-F276 HydrophobicContact CD1-CE1 4.22Å; L141-F276 HydrophobicContact CD1-CG 4.42Å; L141-F276 HydrophobicContact CD2-CE1 4.06Å; L141-F276 HydrophobicContact CD2-CZ 4.17Å
142N83.6Confident83.5Confident21 Ų2176 Ų7611%0.11236%0.357CS..  trans-71.2135.7-179.9-66.8-49.6000111.6M49 Y134 S135 F138 V139M49-N142 WeakPolarHBondContact CE-OD1 3.46Å; Y134-N142 HydrophobicContact CD2-CB 3.88Å; Y134-N142 HydrophobicContact CE2-CB 3.77Å; Y134-N142 WeakPolarHBondContact CE2-ND2 3.19Å; S135-N142 PolarHBondContact N-OD1 3.17Å; S135-N142 PolarHBondContact O-ND2 3.16Å; F138-N142 PolarHBondContact O-N 3.36Å; F138-N142 PolarHBondContact O-ND2 3.28Å; V139-N142 PolarHBondContact O-N 3.48Å
143A81.4Confident83.4Confident21 Ų2178.2 Ų78.217%0.17436%0.363CS..SBendtrans-88.6-29.616800000112.5F130 L154 L212F130-A143 HydrophobicContact CB-CB 4.44Å; F130-A143 HydrophobicContact CD1-CB 3.85Å; F130-A143 HydrophobicContact CD2-CB 3.78Å; F130-A143 HydrophobicContact CE1-CB 3.9Å; F130-A143 HydrophobicContact CE2-CB 3.83Å; F130-A143 HydrophobicContact CG-CB 3.79Å; F130-A143 HydrophobicContact CZ-CB 3.87Å; A143-L154 HydrophobicContact CB-CD1 3.84Å; A143-L154 HydrophobicContact CB-CD2 4.28Å; A143-L154 VanDerWaalsContact O-CD1 3.28Å; A143-L154 WeakPolarHBondContact O-CD1 3.02Å; A143-L212 HydrophobicContact CB-CD1 4.07Å; A143-L212 HydrophobicContact CB-CD2 3.82Å; A143-L212 HydrophobicContact CB-CG 3.96Å
144A82.4Confident83.3Confident9 Ų975.6 Ų75.67%0.07435%0.349CS..SBendtrans-76.9151.7173.500000110.9F130 Y134 E149F130-A144 WeakPolarHBondContact O-CB 3.41Å; Y134-A144 HydrophobicContact CD2-CB 4.3Å; Y134-A144 WeakPolarHBondContact CE2-O 3.36Å; A144-E149 WeakPolarHBondContact CA-OE2 3.43Å; A144-E149 HydrophobicContact CB-CB 4.33Å
145R83.9Confident83.4Confident194 Ų19475.6 Ų75.673%0.73235%0.352SS*.SBendtrans-81.2-32.2179.7-66.8-179179.4-172.80.8112.8Y134 E149Y134-R145 PolarHBondContact OH-O 3.46Å; R145-E149 PolarHBondContact N-OE2 3.44Å
146Y83.9Confident83.7Confident112 Ų11280.2 Ų80.244%0.43937%0.369SS..SBendtrans-151163.1179.555-86.6000110.2E149Y146-E149 HydrophobicContact CD1-CB 4.49Å; Y146-E149 HydrophobicContact CD2-CB 4.17Å; Y146-E149 HydrophobicContact CE1-CB 4.18Å; Y146-E149 HydrophobicContact CE1-CG 4.11Å; Y146-E149 HydrophobicContact CE2-CB 3.85Å; Y146-E149 HydrophobicContact CE2-CG 4.4Å; Y146-E149 HydrophobicContact CG-CB 4.47Å; Y146-E149 WeakPolarHBondContact O-CB 3.32Å; Y146-E149 PolarHBondContact O-N 2.86Å
147R85.6Confident84Confident160 Ų16077.6 Ų77.660%0.60436%0.364SS*.THydrogen-bonded Turntrans-61.8135.4179.4-168.2172.8-172.3-173.82111.7Y134 E149Y134-R147 HydrophobicContact CD1-CB 4.15Å; Y134-R147 HydrophobicContact CG-CB 4.26Å; R147-E149 VanDerWaalsContact C-N 3.28Å; R147-E149 PolarHBondContact O-N 3.45Å
148N87Confident84.8Confident109 Ų10975.2 Ų75.258%0.58335%0.352SS*.THydrogen-bonded Turntrans62.426.6-177-55.3-41.5000114.7S131 D150S131-N148 PolarHBondContact O-N 3.23Å; S131-N148 VanDerWaalsContact OG-C 3.29Å; S131-N148 VanDerWaalsContact OG-CA 3.29Å; S131-N148 WeakPolarHBondContact OG-CA 3.31Å; N148-D150 PolarHBondContact O-N 2.95Å
149E86.6Confident85.4Confident14 Ų1476.6 Ų76.67%0.06536%0.364CS..  trans-59.3136.5168.4179170-149.300110.7S131 A144 R145 Y146 R147 P151 K153S131-E149 VanDerWaalsContact CB-O 3.23Å; S131-E149 WeakPolarHBondContact CB-O 3.48Å; S131-E149 PolarHBondContact OG-N 2.9Å; S131-E149 PolarHBondContact OG-O 2.82Å; A144-E149 WeakPolarHBondContact CA-OE2 3.43Å; A144-E149 HydrophobicContact CB-CB 4.33Å; R145-E149 PolarHBondContact N-OE2 3.44Å; Y146-E149 HydrophobicContact CD1-CB 4.49Å; Y146-E149 HydrophobicContact CD2-CB 4.17Å; Y146-E149 HydrophobicContact CE1-CB 4.18Å; Y146-E149 HydrophobicContact CE1-CG 4.11Å; Y146-E149 HydrophobicContact CE2-CB 3.85Å; Y146-E149 HydrophobicContact CE2-CG 4.4Å; Y146-E149 HydrophobicContact CG-CB 4.47Å; Y146-E149 WeakPolarHBondContact O-CB 3.32Å; Y146-E149 PolarHBondContact O-N 2.86Å; R147-E149 VanDerWaalsContact C-N 3.28Å; R147-E149 PolarHBondContact O-N 3.45Å; E149-P151 VanDerWaalsContact O-CD 3.26Å; E149-P151 WeakPolarHBondContact O-CD 3.35Å; E149-P151 VanDerWaalsContact O-N 3.1Å; E149-K153 HydrophobicContact CG-CB 4.42Å; E149-K153 HydrophobicContact CG-CD 4.26Å
150D88.8Confident86Confident71 Ų7173.5 Ų73.538%0.3835%0.346SS..  trans-55.1118.1177.3-178.1-3.4000110.8N148 R152 K153N148-D150 PolarHBondContact O-N 2.95Å; D150-R152 PolarHBondContact O-N 3.16Å; D150-R152 WeakPolarHBondContact OD1-CB 3.43Å; D150-R152 WeakPolarHBondContact OD1-CG 3.46Å; D150-R152 PolarHBondContact OD1-N 3.33Å; D150-K153 HydrophobicContact CB-CG 4.42Å; D150-K153 WeakPolarHBondContact O-CB 3.09Å; D150-K153 PolarHBondContact O-N 3.11Å
151P88.2Confident86.6Confident33 Ų3368.6 Ų68.621%0.21433%0.326CS..Hα-helixtrans-55.5-24-179.3-2735.3000113.9A127 F128 E149 K153 L154 L155A127-P151 HydrophobicContact CB-CB 4.21Å; F128-P151 HydrophobicContact CD2-CG 4.31Å; E149-P151 VanDerWaalsContact O-CD 3.26Å; E149-P151 WeakPolarHBondContact O-CD 3.35Å; E149-P151 VanDerWaalsContact O-N 3.1Å; P151-K153 VanDerWaalsContact C-N 3.28Å; P151-K153 PolarHBondContact O-N 3.37Å; P151-L154 WeakPolarHBondContact O-CB 3.34Å; P151-L154 PolarHBondContact O-N 3.46Å; P151-L155 PolarHBondContact O-N 3Å; P151-L155 VanDerWaalsContact O-N 3.15Å
152R88.9Confident87.2Confident175 Ų17572.6 Ų72.666%0.6635%0.347SS*.Hα-helixtrans-63-35.2175.3-62.1172.7-175.8-178.82.7112D150 L154 L155 F156D150-R152 PolarHBondContact O-N 3.16Å; D150-R152 WeakPolarHBondContact OD1-CB 3.43Å; D150-R152 WeakPolarHBondContact OD1-CG 3.46Å; D150-R152 PolarHBondContact OD1-N 3.33Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 2.69Å; R152-L155 PolarHBondContact O-N 3.37Å; R152-F156 VanDerWaalsContact O-CD2 3.3Å; R152-F156 WeakPolarHBondContact O-CD2 3.01Å; R152-F156 PolarHBondContact O-N 3.39Å
153K86.9Confident87.7Confident98 Ų9872.2 Ų72.243%0.42635%0.346SS..Hα-helixtrans-62.5-41.9175-69-179-179.6175.20110.2E149 D150 P151 L155 F156 T157E149-K153 HydrophobicContact CG-CB 4.42Å; E149-K153 HydrophobicContact CG-CD 4.26Å; D150-K153 HydrophobicContact CB-CG 4.42Å; D150-K153 WeakPolarHBondContact O-CB 3.09Å; D150-K153 PolarHBondContact O-N 3.11Å; P151-K153 VanDerWaalsContact C-N 3.28Å; P151-K153 PolarHBondContact O-N 3.37Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 2.86Å; K153-F156 PolarHBondContact O-N 3.19Å; K153-T157 VanDerWaalsContact O-CB 3.27Å; K153-T157 WeakPolarHBondContact O-CB 3.48Å; K153-T157 VanDerWaalsContact O-CG2 3.29Å; K153-T157 WeakPolarHBondContact O-CG2 3.34Å; K153-T157 PolarHBondContact O-N 3.11Å; K153-T157 PolarHBondContact O-OG1 3.15Å
154L84.5Confident88.3Confident15 Ų1572.1 Ų72.18%0.07935%0.346CS..Hα-helixtrans-60.5-40175.5-165.973.5000112A127 F130 A143 P151 R152 T158A127-L154 HydrophobicContact CB-CD2 3.9Å; F130-L154 HydrophobicContact CB-CD2 4.37Å; F130-L154 HydrophobicContact CD2-CD2 4.23Å; A143-L154 HydrophobicContact CB-CD1 3.84Å; A143-L154 HydrophobicContact CB-CD2 4.28Å; A143-L154 VanDerWaalsContact O-CD1 3.28Å; A143-L154 WeakPolarHBondContact O-CD1 3.02Å; P151-L154 WeakPolarHBondContact O-CB 3.34Å; P151-L154 PolarHBondContact O-N 3.46Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 2.69Å; L154-T158 HydrophobicContact CD1-CG2 3.65Å; L154-T158 HydrophobicContact CG-CG2 4.17Å; L154-T158 WeakPolarHBondContact O-CB 3.15Å; L154-T158 VanDerWaalsContact O-CG2 3.25Å; L154-T158 WeakPolarHBondContact O-CG2 3.44Å; L154-T158 PolarHBondContact O-N 3.43Å; L154-T158 PolarHBondContact O-OG1 3.03Å
155L86.9Confident88.9Confident42 Ų4274.3 Ų74.322%0.2236%0.359CS..Hα-helixtrans-67.9-37.8179.3-68.1170.5000113.5L124 P151 R152 K153 G161 L162L124-L155 HydrophobicContact CD2-CD1 3.72Å; L124-L155 HydrophobicContact CD2-CD2 4.2Å; P151-L155 PolarHBondContact O-N 3Å; P151-L155 VanDerWaalsContact O-N 3.15Å; R152-L155 PolarHBondContact O-N 3.37Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 2.86Å; L155-G161 CarbonylContact O-C 3.49Å; L155-G161 WeakPolarHBondContact O-CA 3.23Å; L155-L162 PolarHBondContact O-N 2.63Å
156F89.8Confident89.5Confident122 Ų12267.6 Ų67.654%0.53534%0.341SS..Hα-helixtrans-100.8-14.8-174.3-68.6-70.2000114.9R152 K153 V165R152-F156 VanDerWaalsContact O-CD2 3.3Å; R152-F156 WeakPolarHBondContact O-CD2 3.01Å; R152-F156 PolarHBondContact O-N 3.39Å; K153-F156 PolarHBondContact O-N 3.19Å; F156-V165 HydrophobicContact CE1-CG1 4.35Å; F156-V165 HydrophobicContact CE1-CG2 4.31Å
157T87.6Confident90Very high98 Ų9863.3 Ų63.360%0.60133%0.325SS*.Hα-helixtrans-101.7-20.8-179.4660000113.6K153K153-T157 VanDerWaalsContact O-CB 3.27Å; K153-T157 WeakPolarHBondContact O-CB 3.48Å; K153-T157 VanDerWaalsContact O-CG2 3.29Å; K153-T157 WeakPolarHBondContact O-CG2 3.34Å; K153-T157 PolarHBondContact O-N 3.11Å; K153-T157 PolarHBondContact O-OG1 3.15Å
158T89.9Confident90.5Very high29 Ų2958.8 Ų58.818%0.17832%0.315CS..SBendtrans-87.8145.9177.768.50000111.3L154 G161 L162 L212L154-T158 HydrophobicContact CD1-CG2 3.65Å; L154-T158 HydrophobicContact CG-CG2 4.17Å; L154-T158 WeakPolarHBondContact O-CB 3.15Å; L154-T158 VanDerWaalsContact O-CG2 3.25Å; L154-T158 WeakPolarHBondContact O-CG2 3.44Å; L154-T158 PolarHBondContact O-N 3.43Å; L154-T158 PolarHBondContact O-OG1 3.03Å; T158-G161 PolarHBondContact O-N 2.86Å; T158-G161 PolarHBondContact OG1-N 3.17Å; T158-L162 PolarHBondContact O-N 2.82Å; T158-L212 HydrophobicContact CG2-CD1 3.99Å
159V91.1Very high91Very high76 Ų7657.5 Ų57.546%0.46131%0.311SS..Hα-helixtrans-56.4-48.9176.4176.50000111.4G161 T163V159-G161 VanDerWaalsContact C-N 3.33Å; V159-G161 PolarHBondContact O-N 2.97Å; V159-T163 HydrophobicContact CG1-CG2 4.23Å; V159-T163 WeakPolarHBondContact O-CB 3.48Å; V159-T163 VanDerWaalsContact O-CG2 3.27Å; V159-T163 WeakPolarHBondContact O-CG2 3.48Å; V159-T163 PolarHBondContact O-N 2.98Å; V159-T163 VanDerWaalsContact O-N 3.09Å; V159-T163 PolarHBondContact O-OG1 2.66Å
160P90.2Very high91.5Very high25 Ų2557.6 Ų57.616%0.16231%0.313CS..Hα-helixtrans-64-35.8178.2-22.535.9000113.1T163 G164 H207 L212P160-T163 WeakPolarHBondContact CA-OG1 3.25Å; P160-T163 PolarHBondContact O-OG1 3.14Å; P160-G164 PolarHBondContact O-N 2.98Å; P160-H207 PolarHBondContact O-CE1 2.81Å; P160-H207 PolarHBondContact O-ND1 2.92Å; P160-L212 HydrophobicContact CG-CB 4.38Å
161G90.9Very high91.8Very high12 Ų1255.4 Ų55.412%0.12430%0.3CS..Hα-helixtrans-64.9-55.1178.200000112.6L155 T158 V159 T163 G164 V165L155-G161 CarbonylContact O-C 3.49Å; L155-G161 WeakPolarHBondContact O-CA 3.23Å; T158-G161 PolarHBondContact O-N 2.86Å; T158-G161 PolarHBondContact OG1-N 3.17Å; V159-G161 VanDerWaalsContact C-N 3.33Å; V159-G161 PolarHBondContact O-N 2.97Å; G161-T163 PolarHBondContact O-N 2.68Å; G161-G164 PolarHBondContact O-N 3.36Å; G161-V165 WeakPolarHBondContact O-CG2 3.44Å; G161-V165 PolarHBondContact O-N 3.15Å
162L92.8Very high92.2Very high88 Ų8860.2 Ų60.246%0.46132%0.318SS..Hα-helixtrans-64.3-46-177-178.364.1000111.7L155 T158 G164 V165 C166L155-L162 PolarHBondContact O-N 2.63Å; T158-L162 PolarHBondContact O-N 2.82Å; L162-G164 VanDerWaalsContact C-N 3.3Å; L162-G164 PolarHBondContact O-N 3.48Å; L162-V165 PolarHBondContact O-N 3.4Å; L162-C166 PolarHBondContact O-N 2.79Å; L162-C166 VanDerWaalsContact O-N 3.08Å; L162-C166 PolarHBondContact O-SG 3.14Å; L162-C166 VanDerWaalsContact O-SG 3.37Å
163T94.7Very high92.5Very high14 Ų1455.7 Ų55.79%0.08631%0.307CS..Hα-helixtrans-62.3-38.1176.154.20000111.7V159 P160 G161 C166 M167 L206 H207V159-T163 HydrophobicContact CG1-CG2 4.23Å; V159-T163 WeakPolarHBondContact O-CB 3.48Å; V159-T163 VanDerWaalsContact O-CG2 3.27Å; V159-T163 WeakPolarHBondContact O-CG2 3.48Å; V159-T163 PolarHBondContact O-N 2.98Å; V159-T163 VanDerWaalsContact O-N 3.09Å; V159-T163 PolarHBondContact O-OG1 2.66Å; P160-T163 WeakPolarHBondContact CA-OG1 3.25Å; P160-T163 PolarHBondContact O-OG1 3.14Å; G161-T163 PolarHBondContact O-N 2.68Å; T163-C166 PolarHBondContact O-N 3.49Å; T163-M167 WeakPolarHBondContact O-CB 3.25Å; T163-M167 VanDerWaalsContact O-CG 3.25Å; T163-M167 WeakPolarHBondContact O-CG 3.49Å; T163-M167 PolarHBondContact O-N 3.2Å; T163-L206 HydrophobicContact CG2-CB 4.09Å; T163-H207 VanDerWaalsContact OG1-CA 3.29Å; T163-H207 WeakPolarHBondContact OG1-CA 3.34Å; T163-H207 WeakPolarHBondContact OG1-CB 3.38Å; T163-H207 PolarHBondContact OG1-ND1 2.85Å
164G93.9Very high92.8Very high18 Ų1852 Ų5219%0.18629%0.292CS..Hα-helixtrans-62.2-45.9176.400000112.6P160 G161 L162 M167 V168P160-G164 PolarHBondContact O-N 2.98Å; G161-G164 PolarHBondContact O-N 3.36Å; L162-G164 VanDerWaalsContact C-N 3.3Å; L162-G164 PolarHBondContact O-N 3.48Å; G164-M167 PolarHBondContact O-N 3.22Å; G164-V168 WeakPolarHBondContact O-CG2 3.27Å; G164-V168 PolarHBondContact O-N 3.36Å
165V94.7Very high93.3Very high56 Ų5654.5 Ų54.534%0.33930%0.304SS..Hα-helixtrans-61.2-47.7175.8174.70000110.9F156 G161 L162 M167 V168 V169F156-V165 HydrophobicContact CE1-CG1 4.35Å; F156-V165 HydrophobicContact CE1-CG2 4.31Å; G161-V165 WeakPolarHBondContact O-CG2 3.44Å; G161-V165 PolarHBondContact O-N 3.15Å; L162-V165 PolarHBondContact O-N 3.4Å; V165-M167 VanDerWaalsContact C-N 3.32Å; V165-M167 PolarHBondContact O-N 3.45Å; V165-V168 PolarHBondContact O-N 3.4Å; V165-V169 WeakPolarHBondContact O-CG2 3.26Å; V165-V169 PolarHBondContact O-N 3.12Å; V165-V169 VanDerWaalsContact O-N 3.12Å
166C95.9Very high93.6Very high52 Ų5255.1 Ų55.135%0.35131%0.31SS..Hα-helixtrans-59.6-42176.8-69.20000112.1L162 T163 V168 V169 V170 L203L162-C166 PolarHBondContact O-N 2.79Å; L162-C166 VanDerWaalsContact O-N 3.08Å; L162-C166 PolarHBondContact O-SG 3.14Å; L162-C166 VanDerWaalsContact O-SG 3.37Å; T163-C166 PolarHBondContact O-N 3.49Å; C166-V168 PolarHBondContact O-N 3.39Å; C166-V169 PolarHBondContact O-N 3.27Å; C166-V170 WeakPolarHBondContact O-CG2 3.39Å; C166-V170 PolarHBondContact O-N 2.88Å; C166-L203 HydrophobicContact CB-CD1 3.78Å; C166-L203 HydrophobicContact CB-CD2 4.44Å
167M96.1Very high93.7Very high23 Ų2349.6 Ų49.611%0.11329%0.286CS..Hα-helixtrans-62.4-41.6176.4-78.7173.151.600112.5T163 G164 V165 V169 V170 L171 F200 L203 L204 H207T163-M167 WeakPolarHBondContact O-CB 3.25Å; T163-M167 VanDerWaalsContact O-CG 3.25Å; T163-M167 WeakPolarHBondContact O-CG 3.49Å; T163-M167 PolarHBondContact O-N 3.2Å; G164-M167 PolarHBondContact O-N 3.22Å; V165-M167 VanDerWaalsContact C-N 3.32Å; V165-M167 PolarHBondContact O-N 3.45Å; M167-V169 VanDerWaalsContact C-N 3.35Å; M167-V170 PolarHBondContact O-N 3.04Å; M167-L171 VanDerWaalsContact O-CB 3.22Å; M167-L171 WeakPolarHBondContact O-CB 3.14Å; M167-L171 PolarHBondContact O-N 2.92Å; M167-F200 HydrophobicContact CB-CD2 4.23Å; M167-F200 HydrophobicContact CB-CE2 4.11Å; M167-F200 HydrophobicContact CE-CD2 4.42Å; M167-F200 HydrophobicContact CE-CE2 3.69Å; M167-F200 HydrophobicContact CE-CZ 3.8Å; M167-F200 HydrophobicContact CG-CD2 4.25Å; M167-F200 HydrophobicContact CG-CE2 4.33Å; M167-L203 HydrophobicContact CG-CB 3.52Å; M167-L203 HydrophobicContact CG-CD1 4.11Å; M167-L203 HydrophobicContact CG-CG 4.48Å; M167-L203 HydrophobicContact SD-CB 4.16Å; M167-L204 HydrophobicContact CE-CB 4.19Å; M167-L204 HydrophobicContact CE-CD1 3.84Å; M167-L204 HydrophobicContact SD-CB 4.2Å; M167-L204 HydrophobicContact SD-CD1 4.46Å; M167-H207 HydrophobicContact SD-CB 3.93Å
168V95.9Very high93.8Very high65 Ų6546.6 Ų46.639%0.39427%0.269SS..Hα-helixtrans-63.3-41.9178.2171.30000110.9V120 G164 V165 C166 L171 F172V120-V168 HydrophobicContact CG2-CG2 3.57Å; G164-V168 WeakPolarHBondContact O-CG2 3.27Å; G164-V168 PolarHBondContact O-N 3.36Å; V165-V168 PolarHBondContact O-N 3.4Å; C166-V168 PolarHBondContact O-N 3.39Å; V168-L171 PolarHBondContact O-N 3.16Å; V168-F172 VanDerWaalsContact O-CB 3.31Å; V168-F172 WeakPolarHBondContact O-CB 3.17Å; V168-F172 PolarHBondContact O-N 3.45Å
169V96.4Very high93.9Very high81 Ų8148.2 Ų48.249%0.49128%0.28SS..Hα-helixtrans-62-48.8175.9173.70000110.9V165 C166 M167 L171 F172 L173V165-V169 WeakPolarHBondContact O-CG2 3.26Å; V165-V169 PolarHBondContact O-N 3.12Å; V165-V169 VanDerWaalsContact O-N 3.12Å; C166-V169 PolarHBondContact O-N 3.27Å; M167-V169 VanDerWaalsContact C-N 3.35Å; V169-L171 VanDerWaalsContact C-N 3.34Å; V169-L171 PolarHBondContact O-N 2.97Å; V169-F172 PolarHBondContact O-N 3.25Å; V169-L173 HydrophobicContact CG1-CD1 4.31Å; V169-L173 WeakPolarHBondContact O-CG 3.48Å; V169-L173 PolarHBondContact O-N 3.04Å
170V96.8Very high93.7Very high17 Ų1752.6 Ų52.610%0.10329%0.289CS..Hα-helixtrans-59.5-46.5177.8169.80000111C166 M167 F172 L173 M174 L196 V199 F200 L203C166-V170 WeakPolarHBondContact O-CG2 3.39Å; C166-V170 PolarHBondContact O-N 2.88Å; M167-V170 PolarHBondContact O-N 3.04Å; V170-F172 PolarHBondContact O-N 3.41Å; V170-L173 PolarHBondContact O-N 2.88Å; V170-M174 HydrophobicContact CG1-CG 4.45Å; V170-M174 HydrophobicContact CG1-SD 3.91Å; V170-M174 WeakPolarHBondContact O-CG 3.47Å; V170-M174 PolarHBondContact O-N 2.87Å; V170-L196 HydrophobicContact CG1-CB 3.79Å; V170-V199 HydrophobicContact CG2-CG1 4.43Å; V170-F200 HydrophobicContact CG1-CB 3.98Å; V170-L203 HydrophobicContact CG2-CD1 4.46Å
171L95.8Very high93.5Very high24 Ų2454.9 Ų54.913%0.12631%0.31CS..Hα-helixtrans-62.1-42.5179.1-178.560.8000111.5I112 S116 M167 V168 V169 M174 I175 F200I112-L171 HydrophobicContact CG2-CD1 4.46Å; I112-L171 HydrophobicContact CG2-CD2 4.42Å; S116-L171 WeakPolarHBondContact OG-CD2 3.25Å; M167-L171 VanDerWaalsContact O-CB 3.22Å; M167-L171 WeakPolarHBondContact O-CB 3.14Å; M167-L171 PolarHBondContact O-N 2.92Å; V168-L171 PolarHBondContact O-N 3.16Å; V169-L171 VanDerWaalsContact C-N 3.34Å; V169-L171 PolarHBondContact O-N 2.97Å; L171-M174 PolarHBondContact O-N 3.31Å; L171-I175 HydrophobicContact CD1-CD1 3.78Å; L171-I175 HydrophobicContact CD1-CG1 4.11Å; L171-I175 HydrophobicContact CD2-CD1 4.42Å; L171-I175 HydrophobicContact CG-CD1 3.63Å; L171-I175 HydrophobicContact CG-CG1 4.42Å; L171-I175 VanDerWaalsContact O-CD1 3.3Å; L171-I175 WeakPolarHBondContact O-CD1 3.28Å; L171-I175 WeakPolarHBondContact O-CG1 3.18Å; L171-I175 PolarHBondContact O-N 3.18Å; L171-F200 HydrophobicContact CB-CE2 4.29Å
172F95.6Very high93.3Very high134 Ų13456.8 Ų56.859%0.58832%0.317SS*.Hα-helixtrans-60.3-45.8176.6175.6-100.5000112.4V168 V169 V170 I175 T176V168-F172 VanDerWaalsContact O-CB 3.31Å; V168-F172 WeakPolarHBondContact O-CB 3.17Å; V168-F172 PolarHBondContact O-N 3.45Å; V169-F172 PolarHBondContact O-N 3.25Å; V170-F172 PolarHBondContact O-N 3.41Å; F172-I175 PolarHBondContact O-N 3.44Å; F172-T176 WeakPolarHBondContact O-CB 3.39Å; F172-T176 PolarHBondContact O-N 2.83Å; F172-T176 PolarHBondContact O-OG1 3.48Å
173L95.1Very high92.9Very high80 Ų8054.6 Ų54.642%0.41930%0.302SS..Hα-helixtrans-61.3-46.6176.5-68.4174.8000111.4V169 V170 I175 A177 L196V169-L173 HydrophobicContact CG1-CD1 4.31Å; V169-L173 WeakPolarHBondContact O-CG 3.48Å; V169-L173 PolarHBondContact O-N 3.04Å; V170-L173 PolarHBondContact O-N 2.88Å; L173-I175 PolarHBondContact O-N 2.75Å; L173-A177 WeakPolarHBondContact O-CB 3Å; L173-A177 PolarHBondContact O-N 2.89Å; L173-A177 VanDerWaalsContact O-N 3.16Å; L173-L196 HydrophobicContact CB-CD1 4.43Å; L173-L196 HydrophobicContact CD1-CD1 4.37Å
174M95.1Very high92.1Very high22 Ų2258.1 Ų58.111%0.10832%0.324CS..Hα-helixtrans-59.8-46.7178.6-74.2175.863.400112.4V170 L171 S178 T193 L196 F197V170-M174 HydrophobicContact CG1-CG 4.45Å; V170-M174 HydrophobicContact CG1-SD 3.91Å; V170-M174 WeakPolarHBondContact O-CG 3.47Å; V170-M174 PolarHBondContact O-N 2.87Å; L171-M174 PolarHBondContact O-N 3.31Å; M174-S178 VanDerWaalsContact O-CB 3.25Å; M174-S178 WeakPolarHBondContact O-CB 3.46Å; M174-S178 PolarHBondContact O-N 2.89Å; M174-S178 PolarHBondContact O-OG 3.34Å; M174-T193 VanDerWaalsContact CG-O 3.29Å; M174-T193 WeakPolarHBondContact CG-O 3.2Å; M174-L196 HydrophobicContact CG-CB 4.13Å; M174-L196 HydrophobicContact SD-CB 4.24Å; M174-F197 HydrophobicContact CE-CB 3.62Å; M174-F197 HydrophobicContact SD-CB 4.31Å
175I93.2Very high91.5Very high67 Ų6762.3 Ų62.334%0.34435%0.35SS..Hα-helixtrans-67.3-46.2-177.5-65.7157.4000110.7C113 L171 F172 L173 A177 S178 T179C113-I175 HydrophobicContact CB-CD1 4.02Å; C113-I175 WeakPolarHBondContact SG-CD1 3.27Å; C113-I175 VanDerWaalsContact SG-CG1 3.53Å; L171-I175 HydrophobicContact CD1-CD1 3.78Å; L171-I175 HydrophobicContact CD1-CG1 4.11Å; L171-I175 HydrophobicContact CD2-CD1 4.42Å; L171-I175 HydrophobicContact CG-CD1 3.63Å; L171-I175 HydrophobicContact CG-CG1 4.42Å; L171-I175 VanDerWaalsContact O-CD1 3.3Å; L171-I175 WeakPolarHBondContact O-CD1 3.28Å; L171-I175 WeakPolarHBondContact O-CG1 3.18Å; L171-I175 PolarHBondContact O-N 3.18Å; F172-I175 PolarHBondContact O-N 3.44Å; L173-I175 PolarHBondContact O-N 2.75Å; I175-A177 PolarHBondContact O-N 3.29Å; I175-S178 PolarHBondContact O-N 3.49Å; I175-T179 PolarHBondContact O-N 2.96Å
176T93.3Very high90.8Very high55 Ų5562.7 Ų62.734%0.33735%0.35SS..Hα-helixtrans-58.2-50.1-177.6-58.50000110.2F172 S178 T179 I182F172-T176 WeakPolarHBondContact O-CB 3.39Å; F172-T176 PolarHBondContact O-N 2.83Å; F172-T176 PolarHBondContact O-OG1 3.48Å; T176-S178 VanDerWaalsContact C-N 3.26Å; T176-S178 PolarHBondContact O-N 2.96Å; T176-T179 WeakPolarHBondContact O-CB 3.37Å; T176-T179 VanDerWaalsContact O-CG2 3.29Å; T176-T179 WeakPolarHBondContact O-CG2 3.42Å; T176-T179 PolarHBondContact O-N 2.92Å; T176-T179 PolarHBondContact O-OG1 3.06Å; T176-I182 HydrophobicContact CG2-CD1 3.98Å; T176-I182 WeakPolarHBondContact O-CD1 3.18Å
177A92.3Very high90Very high5 Ų564.3 Ų64.34%0.04135%0.349CS..Hα-helixtrans-68.3-23.1177.400000113.9L173 I175 T179 I189 T193L173-A177 WeakPolarHBondContact O-CB 3Å; L173-A177 PolarHBondContact O-N 2.89Å; L173-A177 VanDerWaalsContact O-N 3.16Å; I175-A177 PolarHBondContact O-N 3.29Å; A177-T179 VanDerWaalsContact C-N 3.27Å; A177-T179 PolarHBondContact O-N 3.18Å; A177-I189 HydrophobicContact CB-CG2 4.24Å; A177-T193 HydrophobicContact CB-CG2 4.04Å; A177-T193 WeakPolarHBondContact CB-OG1 3.35Å
178S91Very high89.3Confident35 Ų3565.4 Ų65.425%0.24536%0.356CS..THydrogen-bonded Turntrans-79.5-4.8175.8-60.50000114.1M174 I175 T176 H194M174-S178 VanDerWaalsContact O-CB 3.25Å; M174-S178 WeakPolarHBondContact O-CB 3.46Å; M174-S178 PolarHBondContact O-N 2.89Å; M174-S178 PolarHBondContact O-OG 3.34Å; I175-S178 PolarHBondContact O-N 3.49Å; T176-S178 VanDerWaalsContact C-N 3.26Å; T176-S178 PolarHBondContact O-N 2.96Å; S178-H194 PolarHBondContact OG-ND1 2.81Å
179T90.5Very high88.9Confident64 Ų6466.1 Ų66.139%0.39336%0.357SS..SBendtrans-64.6152.5175.861.10000112I175 T176 A177 A181 I182 R183I175-T179 PolarHBondContact O-N 2.96Å; T176-T179 WeakPolarHBondContact O-CB 3.37Å; T176-T179 VanDerWaalsContact O-CG2 3.29Å; T176-T179 WeakPolarHBondContact O-CG2 3.42Å; T176-T179 PolarHBondContact O-N 2.92Å; T176-T179 PolarHBondContact O-OG1 3.06Å; A177-T179 VanDerWaalsContact C-N 3.27Å; A177-T179 PolarHBondContact O-N 3.18Å; T179-A181 VanDerWaalsContact C-N 3.29Å; T179-A181 PolarHBondContact O-N 2.77Å; T179-I182 PolarHBondContact O-N 3.3Å; T179-R183 WeakPolarHBondContact O-CB 3.15Å; T179-R183 PolarHBondContact O-N 2.94Å
180Y86.9Confident88.5Confident167 Ų16763.8 Ų63.866%0.65534%0.34SS*.Hα-helixtrans-59.3-39.4-177.7177.9-104.4000112.7V184Y180-V184 HydrophobicContact CD2-CG2 3.85Å; Y180-V184 HydrophobicContact CE1-CG2 4.3Å; Y180-V184 HydrophobicContact CE2-CG2 3.47Å; Y180-V184 VanDerWaalsContact CE2-CG2 3.47Å; Y180-V184 HydrophobicContact CG-CG2 4.41Å; Y180-V184 WeakPolarHBondContact O-CB 3.24Å; Y180-V184 VanDerWaalsContact O-CG2 3.3Å; Y180-V184 WeakPolarHBondContact O-CG2 3.48Å; Y180-V184 PolarHBondContact O-N 3.19Å; Y180-V184 VanDerWaalsContact O-N 3.14Å
181A87.1Confident87.8Confident73 Ų7365.3 Ų65.360%0.60334%0.344SS*.Hα-helixtrans-62.2-50.2-179.200000112T179 S185T179-A181 VanDerWaalsContact C-N 3.29Å; T179-A181 PolarHBondContact O-N 2.77Å; A181-S185 WeakPolarHBondContact O-CB 3.34Å; A181-S185 PolarHBondContact O-N 2.97Å; A181-S185 VanDerWaalsContact O-N 3.16Å
182I86.4Confident87.4Confident53 Ų5369.9 Ų69.927%0.27236%0.36SS..Hα-helixtrans-69.2-45.8-178.7-60.5-171.9000110.6T176 T179 V184 S185 N186 I189T176-I182 HydrophobicContact CG2-CD1 3.98Å; T176-I182 WeakPolarHBondContact O-CD1 3.18Å; T179-I182 PolarHBondContact O-N 3.3Å; I182-V184 VanDerWaalsContact C-N 3.28Å; I182-V184 PolarHBondContact O-N 3.11Å; I182-S185 PolarHBondContact O-N 2.85Å; I182-S185 VanDerWaalsContact O-N 3.11Å; I182-N186 PolarHBondContact O-N 3.05Å; I182-I189 HydrophobicContact CG2-CG2 4.13Å
183R84.8Confident87.3Confident42 Ų4265 Ų6516%0.15834%0.341CS..Hα-helixtrans-61.3-34.9-177.4-169.8-176.973.4-139.1-0.3113.5T179 Y187 F190T179-R183 WeakPolarHBondContact O-CB 3.15Å; T179-R183 PolarHBondContact O-N 2.94Å; R183-Y187 HydrophobicContact CG-CD2 3.98Å; R183-Y187 HydrophobicContact CG-CE2 4.32Å; R183-F190 HydrophobicContact CB-CB 4.38Å; R183-F190 HydrophobicContact CB-CG 4.46Å; R183-F190 HydrophobicContact CG-CB 4.15Å; R183-F190 HydrophobicContact CG-CD1 4Å; R183-F190 HydrophobicContact CG-CD2 4.41Å; R183-F190 HydrophobicContact CG-CG 3.9Å
184V77.8Confident87.1Confident87 Ų8763.6 Ų63.653%0.52733%0.333SS..Hα-helixtrans-79.8-30.4177.8173.70000111.6Y180 I182Y180-V184 HydrophobicContact CD2-CG2 3.85Å; Y180-V184 HydrophobicContact CE1-CG2 4.3Å; Y180-V184 HydrophobicContact CE2-CG2 3.47Å; Y180-V184 VanDerWaalsContact CE2-CG2 3.47Å; Y180-V184 HydrophobicContact CG-CG2 4.41Å; Y180-V184 WeakPolarHBondContact O-CB 3.24Å; Y180-V184 VanDerWaalsContact O-CG2 3.3Å; Y180-V184 WeakPolarHBondContact O-CG2 3.48Å; Y180-V184 PolarHBondContact O-N 3.19Å; Y180-V184 VanDerWaalsContact O-N 3.14Å; I182-V184 VanDerWaalsContact C-N 3.28Å; I182-V184 PolarHBondContact O-N 3.11Å
185S81.3Confident86.9Confident106 Ų10664.5 Ų64.574%0.74134%0.338SS*.Hα-helixtrans-77-41.1178.4-174.40000113A181 I182A181-S185 WeakPolarHBondContact O-CB 3.34Å; A181-S185 PolarHBondContact O-N 2.97Å; A181-S185 VanDerWaalsContact O-N 3.16Å; I182-S185 PolarHBondContact O-N 2.85Å; I182-S185 VanDerWaalsContact O-N 3.11Å
186N79.9Confident87Confident65 Ų6563.8 Ų63.835%0.34834%0.335SS..  trans-152.5106.3-179.5-172.1-33.6000109.9I182 D188 I189I182-N186 PolarHBondContact O-N 3.05Å; N186-D188 WeakPolarHBondContact OD1-CB 3.19Å; N186-D188 PolarHBondContact OD1-N 2.88Å; N186-D188 VanDerWaalsContact OD1-N 3.09Å; N186-I189 HydrophobicContact CB-CD1 4Å; N186-I189 HydrophobicContact CB-CG1 4.27Å; N186-I189 PolarHBondContact OD1-N 3.32Å
187Y78.6Confident87Confident85 Ų8562 Ų6233%0.33332%0.322SS..Hα-helixtrans-73.9-30.2-176.7-171.8-96.4000112.8R183 I189 F190 W191R183-Y187 HydrophobicContact CG-CD2 3.98Å; R183-Y187 HydrophobicContact CG-CE2 4.32Å; Y187-I189 PolarHBondContact O-N 3.11Å; Y187-F190 AromaticContact CD2-CD1 3.88Å; Y187-F190 HydrophobicContact CD2-CD1 3.88Å; Y187-F190 HydrophobicContact CD2-CE1 4.48Å; Y187-F190 AromaticContact CE2-CD1 3.55Å; Y187-F190 HydrophobicContact CE2-CD1 3.55Å; Y187-F190 AromaticContact CE2-CE1 3.71Å; Y187-F190 HydrophobicContact CE2-CE1 3.71Å; Y187-F190 HydrophobicContact CG-CD1 4.49Å; Y187-F190 AromaticContact CZ-CD1 3.9Å; Y187-F190 AromaticContact CZ-CE1 3.89Å; Y187-F190 WeakPolarHBondContact O-CB 3.23Å; Y187-F190 PolarHBondContact O-N 2.9Å; Y187-W191 HydrophobicContact CE1-CB 4.42Å; Y187-W191 PolarHBondContact O-N 3.46Å
188D81.9Confident86.9Confident47 Ų4766.2 Ų66.225%0.25134%0.34SS..Hα-helixtrans-59.2-47.4177.1-84.2-30.7000111.3N186 F190 W191 Y192 E350N186-D188 WeakPolarHBondContact OD1-CB 3.19Å; N186-D188 PolarHBondContact OD1-N 2.88Å; N186-D188 VanDerWaalsContact OD1-N 3.09Å; D188-F190 VanDerWaalsContact C-N 3.29Å; D188-F190 PolarHBondContact O-N 3.19Å; D188-W191 PolarHBondContact O-N 2.92Å; D188-Y192 HydrophobicContact CB-CD2 4.19Å; D188-Y192 HydrophobicContact CB-CE2 3.98Å; D188-Y192 WeakPolarHBondContact O-CD2 3.46Å; D188-Y192 PolarHBondContact O-N 2.85Å; D188-E350 WeakPolarHBondContact OD1-CG 3.43Å
189I86.9Confident87.1Confident79 Ų7967.9 Ų67.941%0.40535%0.348SS..Hα-helixtrans-56.9-46.8178.4-65.5175.5000110.4A177 I182 N186 Y187 W191 T193A177-I189 HydrophobicContact CB-CG2 4.24Å; I182-I189 HydrophobicContact CG2-CG2 4.13Å; N186-I189 HydrophobicContact CB-CD1 4Å; N186-I189 HydrophobicContact CB-CG1 4.27Å; N186-I189 PolarHBondContact OD1-N 3.32Å; Y187-I189 PolarHBondContact O-N 3.11Å; I189-W191 VanDerWaalsContact C-N 3.33Å; I189-W191 PolarHBondContact O-N 2.99Å; I189-T193 HydrophobicContact CG2-CG2 4.31Å; I189-T193 WeakPolarHBondContact O-CB 3.27Å; I189-T193 VanDerWaalsContact O-CG2 3.28Å; I189-T193 WeakPolarHBondContact O-CG2 3.25Å; I189-T193 PolarHBondContact O-N 3.48Å; I189-T193 VanDerWaalsContact O-N 3.09Å; I189-T193 PolarHBondContact O-OG1 3.46Å
190F87.7Confident87.4Confident33 Ų3365.6 Ų65.615%0.14533%0.333CS..Hα-helixtrans-56.5-48.6174.6159.5-105.2000111R183 Y187 D188 T193 H194R183-F190 HydrophobicContact CB-CB 4.38Å; R183-F190 HydrophobicContact CB-CG 4.46Å; R183-F190 HydrophobicContact CG-CB 4.15Å; R183-F190 HydrophobicContact CG-CD1 4Å; R183-F190 HydrophobicContact CG-CD2 4.41Å; R183-F190 HydrophobicContact CG-CG 3.9Å; Y187-F190 AromaticContact CD2-CD1 3.88Å; Y187-F190 HydrophobicContact CD2-CD1 3.88Å; Y187-F190 HydrophobicContact CD2-CE1 4.48Å; Y187-F190 AromaticContact CE2-CD1 3.55Å; Y187-F190 HydrophobicContact CE2-CD1 3.55Å; Y187-F190 AromaticContact CE2-CE1 3.71Å; Y187-F190 HydrophobicContact CE2-CE1 3.71Å; Y187-F190 HydrophobicContact CG-CD1 4.49Å; Y187-F190 AromaticContact CZ-CD1 3.9Å; Y187-F190 AromaticContact CZ-CE1 3.89Å; Y187-F190 WeakPolarHBondContact O-CB 3.23Å; Y187-F190 PolarHBondContact O-N 2.9Å; D188-F190 VanDerWaalsContact C-N 3.29Å; D188-F190 PolarHBondContact O-N 3.19Å; F190-T193 PolarHBondContact O-OG1 2.87Å; F190-H194 HydrophobicContact CD2-CB 4.42Å; F190-H194 HydrophobicContact CE2-CB 4.14Å; F190-H194 AromaticContact CE2-ND1 4Å; F190-H194 WeakPolarHBondContact O-CB 3.42Å; F190-H194 PolarHBondContact O-N 3.24Å
191W83.7Confident87.7Confident49 Ų4958.1 Ų58.119%0.18630%0.304CS..Hα-helixtrans-64.7-48.2-175.8-168.695.2000112.6Y187 D188 I189 H194 N195 L349Y187-W191 HydrophobicContact CE1-CB 4.42Å; Y187-W191 PolarHBondContact O-N 3.46Å; D188-W191 PolarHBondContact O-N 2.92Å; I189-W191 VanDerWaalsContact C-N 3.33Å; I189-W191 PolarHBondContact O-N 2.99Å; W191-H194 PolarHBondContact O-N 3.1Å; W191-N195 VanDerWaalsContact CD2-ND2 3.3Å; W191-N195 WeakPolarHBondContact CH2-ND2 3.17Å; W191-N195 WeakPolarHBondContact CZ2-ND2 3.45Å; W191-N195 WeakPolarHBondContact CZ3-ND2 3.39Å; W191-N195 PolarHBondContact O-N 3.17Å; W191-N195 PolarHBondContact O-ND2 3Å; W191-L349 HydrophobicContact CE3-CB 4.31Å; W191-L349 HydrophobicContact CE3-CD1 4.47Å; W191-L349 HydrophobicContact CH2-CB 3.94Å; W191-L349 HydrophobicContact CH2-CD1 4.02Å; W191-L349 HydrophobicContact CH2-CD2 4.13Å; W191-L349 HydrophobicContact CH2-CG 4.25Å; W191-L349 HydrophobicContact CZ2-CB 4.33Å; W191-L349 HydrophobicContact CZ3-CB 3.93Å; W191-L349 HydrophobicContact CZ3-CD1 3.64Å; W191-L349 HydrophobicContact CZ3-CG 4.25Å
192Y87.3Confident87.9Confident119 Ų11960.7 Ų60.747%0.46731%0.305SS..Hα-helixtrans-63.9-48.8-179.4-73.5-67.8000112.2D188 H194 N195 L349D188-Y192 HydrophobicContact CB-CD2 4.19Å; D188-Y192 HydrophobicContact CB-CE2 3.98Å; D188-Y192 WeakPolarHBondContact O-CD2 3.46Å; D188-Y192 PolarHBondContact O-N 2.85Å; Y192-H194 PolarHBondContact O-N 3.26Å; Y192-N195 PolarHBondContact O-N 3.29Å; Y192-L349 HydrophobicContact CD1-CD1 4.5Å; Y192-L349 HydrophobicContact CE1-CD1 3.44Å; Y192-L349 VanDerWaalsContact CE1-CD1 3.44Å; Y192-L349 WeakPolarHBondContact OH-CD1 3.47Å
193T92.4Very high88.3Confident31 Ų3159.7 Ų59.719%0.1930%0.3CS..Hα-helixtrans-66.7-37.9-179.855.90000111.6M174 A177 I189 F190 N195 L196M174-T193 VanDerWaalsContact CG-O 3.29Å; M174-T193 WeakPolarHBondContact CG-O 3.2Å; A177-T193 HydrophobicContact CB-CG2 4.04Å; A177-T193 WeakPolarHBondContact CB-OG1 3.35Å; I189-T193 HydrophobicContact CG2-CG2 4.31Å; I189-T193 WeakPolarHBondContact O-CB 3.27Å; I189-T193 VanDerWaalsContact O-CG2 3.28Å; I189-T193 WeakPolarHBondContact O-CG2 3.25Å; I189-T193 PolarHBondContact O-N 3.48Å; I189-T193 VanDerWaalsContact O-N 3.09Å; I189-T193 PolarHBondContact O-OG1 3.46Å; F190-T193 PolarHBondContact O-OG1 2.87Å; T193-N195 VanDerWaalsContact C-N 3.27Å; T193-N195 PolarHBondContact O-N 2.89Å; T193-L196 WeakPolarHBondContact O-CB 3.36Å; T193-L196 VanDerWaalsContact O-CG 3.23Å; T193-L196 WeakPolarHBondContact O-CG 3.35Å; T193-L196 PolarHBondContact O-N 2.81Å
194H91.9Very high88.7Confident51 Ų5158.3 Ų58.324%0.23630%0.295CS..Hα-helixtrans-66.6-29.7179.2-161.281.8000112.1S178 F190 W191 Y192 L196 F197S178-H194 PolarHBondContact OG-ND1 2.81Å; F190-H194 HydrophobicContact CD2-CB 4.42Å; F190-H194 HydrophobicContact CE2-CB 4.14Å; F190-H194 AromaticContact CE2-ND1 4Å; F190-H194 WeakPolarHBondContact O-CB 3.42Å; F190-H194 PolarHBondContact O-N 3.24Å; W191-H194 PolarHBondContact O-N 3.1Å; Y192-H194 PolarHBondContact O-N 3.26Å; H194-L196 PolarHBondContact O-N 3.14Å; H194-F197 VanDerWaalsContact O-CD1 3.29Å; H194-F197 WeakPolarHBondContact O-CD1 3.46Å; H194-F197 PolarHBondContact O-N 2.84Å
195N90.9Very high89.2Confident41 Ų4155.1 Ų55.122%0.21928%0.275CS..THydrogen-bonded Turntrans-64.8-13.5172.6-80.3-63000114.1W191 Y192 T193 F197 F198W191-N195 VanDerWaalsContact CD2-ND2 3.3Å; W191-N195 WeakPolarHBondContact CH2-ND2 3.17Å; W191-N195 WeakPolarHBondContact CZ2-ND2 3.45Å; W191-N195 WeakPolarHBondContact CZ3-ND2 3.39Å; W191-N195 PolarHBondContact O-N 3.17Å; W191-N195 PolarHBondContact O-ND2 3Å; Y192-N195 PolarHBondContact O-N 3.29Å; T193-N195 VanDerWaalsContact C-N 3.27Å; T193-N195 PolarHBondContact O-N 2.89Å; N195-F197 PolarHBondContact O-N 3.33Å; N195-F198 WeakPolarHBondContact O-CD2 3.25Å; N195-F198 PolarHBondContact O-N 3.32Å
196L94.1Very high89.7Confident52 Ų5254.6 Ų54.627%0.27226%0.264SS..THydrogen-bonded Turntrans-62-7.9171-61.3172.3000112.8V170 L173 M174 T193 H194 F198 V199 F200V170-L196 HydrophobicContact CG1-CB 3.79Å; L173-L196 HydrophobicContact CB-CD1 4.43Å; L173-L196 HydrophobicContact CD1-CD1 4.37Å; M174-L196 HydrophobicContact CG-CB 4.13Å; M174-L196 HydrophobicContact SD-CB 4.24Å; T193-L196 WeakPolarHBondContact O-CB 3.36Å; T193-L196 VanDerWaalsContact O-CG 3.23Å; T193-L196 WeakPolarHBondContact O-CG 3.35Å; T193-L196 PolarHBondContact O-N 2.81Å; H194-L196 PolarHBondContact O-N 3.14Å; L196-F198 PolarHBondContact O-N 3.37Å; L196-V199 HydrophobicContact CD2-CG2 4.41Å; L196-V199 WeakPolarHBondContact O-CA 3.01Å; L196-V199 WeakPolarHBondContact O-CB 3.31Å; L196-V199 PolarHBondContact O-N 2.98Å; L196-F200 PolarHBondContact O-N 3.07Å
197F93Very high90.2Very high19 Ų1953 Ų538%0.08325%0.254CS..Hα-helixtrans-53.7-34.7170.484.6-88000112.3L72 M174 H194 N195 V199 F200 Y201 Y294L72-F197 HydrophobicContact CD2-CD2 4.36Å; L72-F197 HydrophobicContact CD2-CE2 4.33Å; M174-F197 HydrophobicContact CE-CB 3.62Å; M174-F197 HydrophobicContact SD-CB 4.31Å; H194-F197 VanDerWaalsContact O-CD1 3.29Å; H194-F197 WeakPolarHBondContact O-CD1 3.46Å; H194-F197 PolarHBondContact O-N 2.84Å; N195-F197 PolarHBondContact O-N 3.33Å; F197-V199 VanDerWaalsContact C-N 3.32Å; F197-V199 PolarHBondContact O-N 3.18Å; F197-F200 WeakPolarHBondContact O-CB 3.42Å; F197-F200 PolarHBondContact O-N 3.07Å; F197-Y201 AromaticContact CD2-CD2 3.91Å; F197-Y201 HydrophobicContact CD2-CD2 3.91Å; F197-Y201 HydrophobicContact CD2-CE2 4.02Å; F197-Y201 VanDerWaalsContact O-CD2 3.22Å; F197-Y201 WeakPolarHBondContact O-CD2 3.39Å; F197-Y201 PolarHBondContact O-N 3.18Å; F197-Y294 AromaticContact CE2-CE1 3.85Å; F197-Y294 HydrophobicContact CE2-CE1 3.85Å; F197-Y294 AromaticContact CZ-CE1 3.71Å; F197-Y294 HydrophobicContact CZ-CE1 3.71Å; F197-Y294 AromaticContact CZ-CZ 3.88Å; F197-Y294 WeakPolarHBondContact CZ-OH 3.35Å
198F91.8Very high90.5Very high92 Ų9250.7 Ų50.740%0.40425%0.248SC..Hα-helixtrans-59.7-44.2175-70.7-70.6000111.6N195 L196 Y201 M202 Y294N195-F198 WeakPolarHBondContact O-CD2 3.25Å; N195-F198 PolarHBondContact O-N 3.32Å; L196-F198 PolarHBondContact O-N 3.37Å; F198-Y201 PolarHBondContact O-N 2.94Å; F198-M202 WeakPolarHBondContact O-CG 3.48Å; F198-M202 PolarHBondContact O-N 3.2Å; F198-M202 VanDerWaalsContact O-N 3.1Å; F198-Y294 HydrophobicContact CE1-CE1 4.35Å; F198-Y294 HydrophobicContact CZ-CE1 4.39Å
199V94.7Very high90.6Very high70 Ų7052 Ų5242%0.42426%0.261SS..Hα-helixtrans-65.1-43.5175.9-177.50000110.2V170 L196 F197 Y201 M202 L203V170-V199 HydrophobicContact CG2-CG1 4.43Å; L196-V199 HydrophobicContact CD2-CG2 4.41Å; L196-V199 WeakPolarHBondContact O-CA 3.01Å; L196-V199 WeakPolarHBondContact O-CB 3.31Å; L196-V199 PolarHBondContact O-N 2.98Å; F197-V199 VanDerWaalsContact C-N 3.32Å; F197-V199 PolarHBondContact O-N 3.18Å; V199-Y201 PolarHBondContact O-N 3.49Å; V199-M202 PolarHBondContact O-N 3.5Å; V199-L203 HydrophobicContact CG1-CD1 4.03Å; V199-L203 HydrophobicContact CG1-CG 4.33Å; V199-L203 WeakPolarHBondContact O-CG 3.32Å; V199-L203 PolarHBondContact O-N 3.03Å
200F95.4Very high89.9Confident16 Ų1649.7 Ų49.77%0.0726%0.257CS..Hα-helixtrans-57-45.9176.2179.4-92.4000112.4M167 V170 L171 L196 F197 L203 L204M167-F200 HydrophobicContact CB-CD2 4.23Å; M167-F200 HydrophobicContact CB-CE2 4.11Å; M167-F200 HydrophobicContact CE-CD2 4.42Å; M167-F200 HydrophobicContact CE-CE2 3.69Å; M167-F200 HydrophobicContact CE-CZ 3.8Å; M167-F200 HydrophobicContact CG-CD2 4.25Å; M167-F200 HydrophobicContact CG-CE2 4.33Å; V170-F200 HydrophobicContact CG1-CB 3.98Å; L171-F200 HydrophobicContact CB-CE2 4.29Å; L196-F200 PolarHBondContact O-N 3.07Å; F197-F200 WeakPolarHBondContact O-CB 3.42Å; F197-F200 PolarHBondContact O-N 3.07Å; F200-L203 PolarHBondContact O-N 2.86Å; F200-L204 HydrophobicContact CE1-CD2 4.06Å; F200-L204 VanDerWaalsContact O-CB 3.26Å; F200-L204 WeakPolarHBondContact O-CB 3.46Å; F200-L204 PolarHBondContact O-N 2.87Å
201Y93.6Very high89.4Confident11 Ų1149.5 Ų49.54%0.04326%0.264CS..Hα-helixtrans-67.9-36.6178.2-84-78.2000112.9C68 I71 L72 F197 F198 V199 L204 M205 I287C68-Y201 HydrophobicContact CB-CE1 4.46Å; C68-Y201 PolarHBondContact O-OH 3.46Å; I71-Y201 WeakPolarHBondContact CG2-OH 3.14Å; L72-Y201 HydrophobicContact CD1-CE1 4.3Å; L72-Y201 HydrophobicContact CD1-CE2 4.17Å; L72-Y201 HydrophobicContact CD2-CE2 3.93Å; L72-Y201 HydrophobicContact CG-CE2 4.27Å; L72-Y201 WeakPolarHBondContact CG-OH 3.26Å; F197-Y201 AromaticContact CD2-CD2 3.91Å; F197-Y201 HydrophobicContact CD2-CD2 3.91Å; F197-Y201 HydrophobicContact CD2-CE2 4.02Å; F197-Y201 VanDerWaalsContact O-CD2 3.22Å; F197-Y201 WeakPolarHBondContact O-CD2 3.39Å; F197-Y201 PolarHBondContact O-N 3.18Å; F198-Y201 PolarHBondContact O-N 2.94Å; V199-Y201 PolarHBondContact O-N 3.49Å; Y201-L204 HydrophobicContact CD1-CD2 4.38Å; Y201-L204 PolarHBondContact O-N 3.23Å; Y201-M205 WeakPolarHBondContact O-CG 3.49Å; Y201-M205 PolarHBondContact O-N 2.81Å; Y201-I287 HydrophobicContact CD1-CG2 3.59Å; Y201-I287 HydrophobicContact CE1-CD1 4.37Å; Y201-I287 HydrophobicContact CE1-CG2 3.61Å
202M92.6Very high89.1Confident126 Ų12649.6 Ų49.662%0.62127%0.268SS*.Hα-helixtrans-63.5-46.3173.8-71-64.616100111.3F198 V199 L204 M205 L206F198-M202 WeakPolarHBondContact O-CG 3.48Å; F198-M202 PolarHBondContact O-N 3.2Å; F198-M202 VanDerWaalsContact O-N 3.1Å; V199-M202 PolarHBondContact O-N 3.5Å; M202-L204 VanDerWaalsContact C-N 3.32Å; M202-L204 PolarHBondContact O-N 2.91Å; M202-M205 PolarHBondContact O-N 2.75Å; M202-L206 WeakPolarHBondContact O-CG 3.4Å; M202-L206 PolarHBondContact O-N 3.39Å
203L94.3Very high88.8Confident32 Ų3244.7 Ų44.717%0.16825%0.25CS..Hα-helixtrans-63.3-38.2175.1-68.9173.7000112C166 M167 V170 V199 F200 M205 L206 H207C166-L203 HydrophobicContact CB-CD1 3.78Å; C166-L203 HydrophobicContact CB-CD2 4.44Å; M167-L203 HydrophobicContact CG-CB 3.52Å; M167-L203 HydrophobicContact CG-CD1 4.11Å; M167-L203 HydrophobicContact CG-CG 4.48Å; M167-L203 HydrophobicContact SD-CB 4.16Å; V170-L203 HydrophobicContact CG2-CD1 4.46Å; V199-L203 HydrophobicContact CG1-CD1 4.03Å; V199-L203 HydrophobicContact CG1-CG 4.33Å; V199-L203 WeakPolarHBondContact O-CG 3.32Å; V199-L203 PolarHBondContact O-N 3.03Å; F200-L203 PolarHBondContact O-N 2.86Å; L203-M205 VanDerWaalsContact C-N 3.34Å; L203-M205 PolarHBondContact O-N 2.9Å; L203-L206 CarbonylContact O-C 3.55Å; L203-L206 PolarHBondContact O-N 2.93Å; L203-H207 VanDerWaalsContact O-CB 3.25Å; L203-H207 WeakPolarHBondContact O-CB 3.26Å; L203-H207 PolarHBondContact O-N 2.83Å
204L92.6Very high88.3Confident13 Ų1345.9 Ų45.97%0.06825%0.252CS..Hα-helixtrans-64.3-37177.2179.258000112.3C68 M167 F200 Y201 M202 H207 V208 T283 I287C68-L204 HydrophobicContact CB-CD2 4.29Å; M167-L204 HydrophobicContact CE-CB 4.19Å; M167-L204 HydrophobicContact CE-CD1 3.84Å; M167-L204 HydrophobicContact SD-CB 4.2Å; M167-L204 HydrophobicContact SD-CD1 4.46Å; F200-L204 HydrophobicContact CE1-CD2 4.06Å; F200-L204 VanDerWaalsContact O-CB 3.26Å; F200-L204 WeakPolarHBondContact O-CB 3.46Å; F200-L204 PolarHBondContact O-N 2.87Å; Y201-L204 HydrophobicContact CD1-CD2 4.38Å; Y201-L204 PolarHBondContact O-N 3.23Å; M202-L204 VanDerWaalsContact C-N 3.32Å; M202-L204 PolarHBondContact O-N 2.91Å; L204-H207 PolarHBondContact O-N 2.79Å; L204-V208 WeakPolarHBondContact O-CG2 3.25Å; L204-T283 HydrophobicContact CD1-CG2 4.25Å; L204-T283 HydrophobicContact CG-CG2 4.22Å; L204-I287 HydrophobicContact CD2-CD1 3.31Å; L204-I287 HydrophobicContact CG-CD1 3.93Å
205M89.6Confident87.9Confident21 Ų2146.3 Ų46.310%0.10325%0.252CS..Hα-helixtrans-64.7-42.4173.2-72.2-58.8130.800112.1Y201 M202 L203 W284 I287Y201-M205 WeakPolarHBondContact O-CG 3.49Å; Y201-M205 PolarHBondContact O-N 2.81Å; M202-M205 PolarHBondContact O-N 2.75Å; L203-M205 VanDerWaalsContact C-N 3.34Å; L203-M205 PolarHBondContact O-N 2.9Å; M205-W284 HydrophobicContact CB-CH2 4.18Å; M205-W284 HydrophobicContact CB-CZ2 3.67Å; M205-W284 HydrophobicContact CG-CZ2 4.26Å; M205-W284 PolarHBondContact O-NE1 3.4Å; M205-W284 VanDerWaalsContact O-NE1 3.1Å; M205-W284 HydrophobicContact SD-CB 4.49Å; M205-W284 HydrophobicContact SD-CD2 3.45Å; M205-W284 VanDerWaalsContact SD-CE2 3.55Å; M205-W284 HydrophobicContact SD-CE3 3.86Å; M205-W284 HydrophobicContact SD-CG 3.75Å; M205-W284 HydrophobicContact SD-CH2 4.42Å; M205-W284 HydrophobicContact SD-CZ2 4.07Å; M205-W284 HydrophobicContact SD-CZ3 4.32Å; M205-I287 HydrophobicContact CE-CB 3.46Å; M205-I287 VanDerWaalsContact CE-CB 3.46Å; M205-I287 HydrophobicContact CE-CD1 3.68Å; M205-I287 HydrophobicContact CE-CG1 4.11Å; M205-I287 HydrophobicContact CE-CG2 3.4Å
206L90.8Very high87.6Confident95 Ų9544.4 Ų44.450%0.49724%0.242SC..Hα-helixtrans-70.6-33.9176.6-66.9173.5000112.7T163 M202 L203 V208 S209T163-L206 HydrophobicContact CG2-CB 4.09Å; M202-L206 WeakPolarHBondContact O-CG 3.4Å; M202-L206 PolarHBondContact O-N 3.39Å; L203-L206 CarbonylContact O-C 3.55Å; L203-L206 PolarHBondContact O-N 2.93Å; L206-V208 PolarHBondContact O-N 2.94Å; L206-S209 PolarHBondContact O-N 3.36Å; L206-S209 PolarHBondContact O-OG 2.98Å
207H90.9Very high87.1Confident32 Ų3245.1 Ų45.115%0.14825%0.249CC..Hα-helixtrans-59.2-35.6-177.3179.472.6000112.4P160 T163 M167 L203 L204P160-H207 PolarHBondContact O-CE1 2.81Å; P160-H207 PolarHBondContact O-ND1 2.92Å; T163-H207 VanDerWaalsContact OG1-CA 3.29Å; T163-H207 WeakPolarHBondContact OG1-CA 3.34Å; T163-H207 WeakPolarHBondContact OG1-CB 3.38Å; T163-H207 PolarHBondContact OG1-ND1 2.85Å; M167-H207 HydrophobicContact SD-CB 3.93Å; L203-H207 VanDerWaalsContact O-CB 3.25Å; L203-H207 WeakPolarHBondContact O-CB 3.26Å; L203-H207 PolarHBondContact O-N 2.83Å; L204-H207 PolarHBondContact O-N 2.79Å
208V85.4Confident86.6Confident35 Ų3545 Ų4521%0.21225%0.249CC..G310 helixtrans-88.9-10.7-175.1-165.30000112.3L204 L206 G210 P281 T283L204-V208 WeakPolarHBondContact O-CG2 3.25Å; L206-V208 PolarHBondContact O-N 2.94Å; V208-G210 VanDerWaalsContact C-N 3.26Å; V208-G210 PolarHBondContact O-N 3.04Å; V208-P281 HydrophobicContact CB-CB 4.22Å; V208-P281 HydrophobicContact CG1-CB 3.5Å; V208-P281 VanDerWaalsContact CG1-CB 3.5Å; V208-T283 HydrophobicContact CG2-CG2 3.97Å
209S82.2Confident85.9Confident74 Ų7442.6 Ų42.652%0.51724%0.24SC..G310 helixtrans-75.6-12.5179.470.40000113.9L206 G211L206-S209 PolarHBondContact O-N 3.36Å; L206-S209 PolarHBondContact O-OG 2.98Å; S209-G211 VanDerWaalsContact C-N 3.26Å; S209-G211 PolarHBondContact O-N 2.9Å
210G72.4Confident84.9Confident31 Ų3147.2 Ų47.232%0.3226%0.262SS..G310 helixtrans-70.9-9.3-173.800000116.3V208 L212V208-G210 VanDerWaalsContact C-N 3.26Å; V208-G210 PolarHBondContact O-N 3.04Å; G210-L212 PolarHBondContact O-N 2.84Å
211G77.1Confident83.7Confident29 Ų2948.8 Ų48.830%0.29927%0.273SS..  trans57.416.6169.900000116.8S209 L213 A278S209-G211 VanDerWaalsContact C-N 3.26Å; S209-G211 PolarHBondContact O-N 2.9Å; G211-L213 VanDerWaalsContact C-N 3.32Å; G211-L213 PolarHBondContact O-N 3.48Å; G211-A278 WeakPolarHBondContact O-CB 3.33Å
212L78.1Confident82.8Confident52 Ų5248.7 Ų48.727%0.27227%0.273SS..  trans-66.2-29.5-166.3-163.3108.7000113.9F130 A143 T158 P160 G210F130-L212 HydrophobicContact CE2-CD2 4.16Å; A143-L212 HydrophobicContact CB-CD1 4.07Å; A143-L212 HydrophobicContact CB-CD2 3.82Å; A143-L212 HydrophobicContact CB-CG 3.96Å; T158-L212 HydrophobicContact CG2-CD1 3.99Å; P160-L212 HydrophobicContact CG-CB 4.38Å; G210-L212 PolarHBondContact O-N 2.84Å
213L81.3Confident82.1Confident16 Ų1643.7 Ų43.78%0.08425%0.251CS..  trans-99.5121.8-179.9-61.8176.9000110.1L46 L50 L54 R58 F130 G211 N279L46-L213 HydrophobicContact CD2-CD2 4.29Å; L50-L213 HydrophobicContact CD1-CD2 4.25Å; L54-L213 HydrophobicContact CD1-CD1 4.21Å; L54-L213 HydrophobicContact CD1-CD2 4.32Å; R58-L213 HydrophobicContact CG-CD1 4.46Å; F130-L213 HydrophobicContact CE2-CD2 4.37Å; F130-L213 HydrophobicContact CZ-CD2 4.09Å; G211-L213 VanDerWaalsContact C-N 3.32Å; G211-L213 PolarHBondContact O-N 3.48Å; L213-N279 PolarHBondContact O-N 2.86Å; L213-N279 VanDerWaalsContact O-N 3.09Å; L213-N279 PolarHBondContact O-ND2 3.26Å
214K82.9Confident81.1Confident55 Ų5544.4 Ų44.424%0.23926%0.257CS..EExtended strand (participates in β ladder)trans-109.5158.4-178.6-54.7-174.8-176.8174.40111.6L46 E140 L141 F276 Q277L46-K214 WeakPolarHBondContact CD2-O 3.47Å; E140-K214 VanDerWaalsContact O-CD 3.26Å; E140-K214 WeakPolarHBondContact O-CD 3.33Å; E140-K214 WeakPolarHBondContact O-CE 3.39Å; E140-K214 PolarHBondContact O-NZ 3.04Å; L141-K214 HydrophobicContact CD1-CB 4.11Å; K214-F276 HydrophobicContact CB-CB 4.04Å; K214-F276 HydrophobicContact CD-CB 4.07Å; K214-Q277 CarbonylContact C-O 2.91Å; K214-Q277 WeakPolarHBondContact CA-O 3.38Å; K214-Q277 VanDerWaalsContact CB-O 3.31Å; K214-Q277 WeakPolarHBondContact CB-O 3.3Å
215Y82.8Confident79.9Confident60 Ų6046.7 Ų46.724%0.23528%0.283CS..EExtended strand (participates in β ladder)trans-126.4156.1174.169.1-79000109.5Y43 T217 F276 Q277 N279Y43-Y215 VanDerWaalsContact CE1-CB 3.49Å; Y215-T217 HydrophobicContact CD2-CG2 4.35Å; Y215-T217 HydrophobicContact CE2-CG2 3.78Å; Y215-F276 WeakPolarHBondContact O-CA 3.4Å; Y215-Q277 WeakPolarHBondContact CD1-O 3.45Å; Y215-Q277 HydrophobicContact CE1-CB 4.13Å; Y215-Q277 PolarHBondContact N-O 3.29Å; Y215-Q277 PolarHBondContact O-N 3.11Å; Y215-Q277 PolarHBondContact OH-OE1 3.19Å; Y215-N279 WeakPolarHBondContact CD1-OD1 3.43Å
216Q84.5Confident79.1Confident2 Ų246.6 Ų46.61%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-79.5131.7178.4-169.8-171-13.100110.4E42 Y45 N218 H222 P274 R275 F276E42-Q216 PolarHBondContact O-N 3.26Å; Y45-Q216 VanDerWaalsContact CE2-OE1 3.25Å; Q216-N218 WeakPolarHBondContact CG-OD1 3.33Å; Q216-N218 PolarHBondContact NE2-O 3.04Å; Q216-N218 PolarHBondContact NE2-OD1 3.39Å; Q216-H222 PolarHBondContact NE2-ND1 3.48Å; Q216-H222 VanDerWaalsContact NE2-ND1 3.14Å; Q216-H222 PolarHBondContact NE2-O 3.24Å; Q216-P274 HydrophobicContact CG-CB 4.45Å; Q216-R275 WeakPolarHBondContact CA-O 3.42Å; Q216-F276 HydrophobicContact CB-CD1 4.33Å; Q216-F276 HydrophobicContact CB-CE1 4.18Å
217T82.9Confident77.7Confident66 Ų6646.5 Ų46.541%0.40528%0.284SS..  trans-98.4-29.6-178.853.70000113.6Y215 L219 R275 Q277Y215-T217 HydrophobicContact CD2-CG2 4.35Å; Y215-T217 HydrophobicContact CE2-CG2 3.78Å; T217-L219 PolarHBondContact O-N 3Å; T217-R275 PolarHBondContact N-O 3.32Å; T217-R275 PolarHBondContact OG1-O 3.14Å; T217-Q277 HydrophobicContact CG2-CB 3.69Å
218N82.4Confident76.3Confident17 Ų1747.9 Ų47.99%0.09129%0.292CS..  trans-96.858.6-173.970.1-38.1000113.2Q216 D220 T221 H222 E273 P274 R275Q216-N218 WeakPolarHBondContact CG-OD1 3.33Å; Q216-N218 PolarHBondContact NE2-O 3.04Å; Q216-N218 PolarHBondContact NE2-OD1 3.39Å; N218-D220 VanDerWaalsContact C-N 3.34Å; N218-D220 PolarHBondContact O-N 3.37Å; N218-T221 PolarHBondContact ND2-OG1 3.13Å; N218-H222 WeakPolarHBondContact O-CB 3.32Å; N218-H222 PolarHBondContact O-N 2.84Å; N218-E273 PolarHBondContact ND2-O 3.42Å; N218-P274 WeakPolarHBondContact OD1-CA 3.45Å; N218-R275 PolarHBondContact OD1-N 3.45Å
219L77.6Confident74.8Confident41 Ų4151.2 Ų51.222%0.21531%0.308CS..THydrogen-bonded Turntrans-68-31.4-178.7-72.3179.1000114P41 E42 T217 H222 P224P41-L219 HydrophobicContact CB-CD1 4.27Å; P41-L219 HydrophobicContact CB-CD2 4.16Å; P41-L219 HydrophobicContact CG-CD1 4.04Å; E42-L219 HydrophobicContact CB-CD1 4.47Å; E42-L219 HydrophobicContact CG-CD1 3.51Å; E42-L219 HydrophobicContact CG-CG 4.43Å; T217-L219 PolarHBondContact O-N 3Å; L219-H222 CarbonylContact O-C 3.49Å; L219-P224 HydrophobicContact CD2-CG 4.4Å
220D73.6Confident73.4Confident167 Ų16754.5 Ų54.589%0.89332%0.32SS*.THydrogen-bonded Turntrans-73.6-36.5-177.7-61.8-37.5000111.9N218N218-D220 VanDerWaalsContact C-N 3.34Å; N218-D220 PolarHBondContact O-N 3.37Å
221T71.2Confident72.2Confident49 Ų4959.3 Ų59.330%0.30133%0.329SS..THydrogen-bonded Turntrans-91.2-21.2179.462.10000113N218 M271 E272N218-T221 PolarHBondContact ND2-OG1 3.13Å; T221-M271 PolarHBondContact O-N 3.39Å; T221-E272 PolarHBondContact OG1-OE2 2.72Å
222H73.6Confident70.6Confident9 Ų962 Ų624%0.04234%0.339CS..SBendtrans-137.484.3177.3-173.2-92.3000111.5Y45 Q216 N218 L219 C226 E272Y45-H222 AromaticContact CE2-CE1 3.69Å; Y45-H222 AromaticContact CE2-ND1 3.9Å; Y45-H222 AromaticContact CZ-CE1 3.51Å; Y45-H222 PolarHBondContact OH-CE1 3.2Å; Q216-H222 PolarHBondContact NE2-ND1 3.48Å; Q216-H222 VanDerWaalsContact NE2-ND1 3.14Å; Q216-H222 PolarHBondContact NE2-O 3.24Å; N218-H222 WeakPolarHBondContact O-CB 3.32Å; N218-H222 PolarHBondContact O-N 2.84Å; L219-H222 CarbonylContact O-C 3.49Å; H222-C226 PolarHBondContact CD2-SG 3.24Å; H222-C226 PolarHBondContact NE2-SG 3.11Å; H222-E272 PolarHBondContact CD2-O 3.44Å
223P77.3Confident68.8Low22 Ų2264.5 Ų64.514%0.14336%0.361CS..  trans-71.2147.6177.126.7-30.3000111.2G225 C226 K268P223-G225 PolarHBondContact O-N 3.41Å; P223-C226 HydrophobicContact CG-CB 4.16Å; P223-C226 WeakPolarHBondContact O-CB 3.28Å; P223-C226 PolarHBondContact O-N 3.05Å; P223-C226 PolarHBondContact O-SG 3.22Å; P223-K268 HydrophobicContact CB-CD 4.21Å; P223-K268 HydrophobicContact CG-CB 4.01Å; P223-K268 HydrophobicContact CG-CD 3.65Å; P223-K268 HydrophobicContact CG-CG 4.49Å
224P74Confident66.8Low47 Ų4768.5 Ų68.531%0.30539%0.391SS..THydrogen-bonded Turntrans-56.2128178.9-23.432.3000112.4P41 H44 L219P41-P224 HydrophobicContact CB-CG 3.88Å; H44-P224 HydrophobicContact CB-CB 3.84Å; H44-P224 HydrophobicContact CB-CG 4.1Å; L219-P224 HydrophobicContact CD2-CG 4.4Å
225G67.6Low64.6Low60 Ų6072.3 Ų72.362%0.61941%0.409SS*.THydrogen-bonded Turntrans8315.6-179.900000115.4Y45 P223Y45-G225 PolarHBondContact OH-N 3Å; P223-G225 PolarHBondContact O-N 3.41Å
226C73Confident62.4Low20 Ų2077.5 Ų77.514%0.13544%0.441CS..  trans-68.3148.9171.969.20000111.8H222 P223 K268 C270H222-C226 PolarHBondContact CD2-SG 3.24Å; H222-C226 PolarHBondContact NE2-SG 3.11Å; P223-C226 HydrophobicContact CG-CB 4.16Å; P223-C226 WeakPolarHBondContact O-CB 3.28Å; P223-C226 PolarHBondContact O-N 3.05Å; P223-C226 PolarHBondContact O-SG 3.22Å; C226-K268 WeakPolarHBondContact CA-O 3.35Å; C226-K268 VanDerWaalsContact CB-O 3.22Å; C226-K268 WeakPolarHBondContact CB-O 3.3Å; C226-C270 HydrophobicContact CB-CB 4.08Å; C226-C270 WeakPolarHBondContact CB-SG 3.25Å; C226-C270 PolarHBondContact O-SG 3.49Å; C226-C270 VanDerWaalsContact O-SG 3.35Å; C226-C270 VanDerWaalsContact SG-CA 3.6Å; C226-C270 WeakPolarHBondContact SG-CB 3.39Å; C226-C270 CovalentContact SG-SG 2.03Å; C226-C270 PolarHBondContact SG-SG 2.98Å
227I62Low59.9Low92 Ų9283.7 Ų83.747%0.47247%0.473SS..BIsolated β-bridgetrans-94.8126.6179.8-58.1179.2000108.6V267 K268 C270I227-V267 HydrophobicContact CD1-CG1 3.68Å; I227-V267 HydrophobicContact CG1-CG1 4.25Å; I227-K268 PolarHBondContact N-O 2.9Å; I227-C270 PolarHBondContact O-N 3.05Å
228N61.3Low57.6Low61 Ų6185.8 Ų85.833%0.32649%0.49SS..  trans-90.4109.2-179.5-159-22.6000110.1N230 R231N228-N230 VanDerWaalsContact C-N 3.3Å; N228-N230 PolarHBondContact O-N 3.23Å; N228-R231 PolarHBondContact O-N 3.31Å
229L54.2Low55.1Low105 Ų10592 Ų9255%0.5552%0.523SS..Hα-helixtrans-66.4-26.5-173.5-110.9112.6000113.9R231 T232 I269L229-R231 PolarHBondContact O-N 2.97Å; L229-T232 PolarHBondContact O-OG1 3.22Å; L229-I269 HydrophobicContact CD1-CB 4.29Å; L229-I269 HydrophobicContact CD1-CD1 3.76Å; L229-I269 HydrophobicContact CD1-CG1 3.77Å; L229-I269 HydrophobicContact CD1-CG2 3.55Å
230N52.3Low53Low144 Ų14495.3 Ų95.377%0.7755%0.547SS*.Hα-helixtrans-70.2-16178.6-85.9-10.1000113.2N228N228-N230 VanDerWaalsContact C-N 3.3Å; N228-N230 PolarHBondContact O-N 3.23Å
231R46Very low51Low132 Ų13297 Ų9750%0.49855%0.549SS..Hα-helixtrans-93.6-25.4-175.8-155.1172.1-167173.62.1113.7D137 N228 L229 S233 S234D137-R231 IonicContact OD1-CZ 3.81Å; D137-R231 IonicContact OD1-NH1 3.95Å; D137-R231 PolarHBondContact OD1-NH1 2.8Å; D137-R231 IonicContact OD1-NH2 3.26Å; D137-R231 PolarHBondContact OD1-NH2 2.82Å; D137-R231 IonicContact OD2-CZ 3.95Å; D137-R231 VanDerWaalsContact OD2-CZ 3.32Å; D137-R231 IonicContact OD2-NH1 2.75Å; D137-R231 PolarHBondContact OD2-NH1 3.43Å; D137-R231 IonicContact OD2-NH2 2.88Å; D137-R231 PolarHBondContact OD2-NH2 2.91Å; D137-R231 VanDerWaalsContact OD2-NH2 3.09Å; N228-R231 PolarHBondContact O-N 3.31Å; L229-R231 PolarHBondContact O-N 2.97Å; R231-S233 PolarHBondContact O-N 3.16Å; R231-S234 PolarHBondContact O-N 2.82Å
232T44.2Very low49.2Very low84 Ų84104.7 Ų104.752%0.51557%0.574SS.*Hα-helixtrans-69.8-18.1175.636.80000113.4L229 S234L229-T232 PolarHBondContact O-OG1 3.22Å; T232-S234 PolarHBondContact O-N 3.23Å
233S40.6Very low47.2Very low105 Ų105113.5 Ų113.573%0.73461%0.613SS**THydrogen-bonded Turntrans-71.2-17.3174.1-150.70000113.1R231R231-S233 PolarHBondContact O-N 3.16Å
234S39Very low44.9Very low101 Ų101118 Ų11871%0.70665%0.645SS**THydrogen-bonded Turntrans-103.5-5.7-175.8-44.90000114R231 T232R231-S234 PolarHBondContact O-N 2.82Å; T232-S234 PolarHBondContact O-N 3.23Å
235Q36.4Very low42.9Very low135 Ų135124.1 Ų124.163%0.63167%0.669SS**SBendtrans-133.496.4174.9-76.4-177.3-13.500108.9I237Q235-I237 VanDerWaalsContact C-N 3.34Å; Q235-I237 PolarHBondContact O-N 3.18Å
236N37.3Very low41.1Very low168 Ų168129.6 Ų129.690%0.89868%0.679SS**  trans-60.696.2166.3-79.1-22.7000109
237I31.4Very low39.1Very low132 Ų132138.6 Ų138.668%0.67772%0.716SS**  trans-114.5116.1163.4-61.8176.5000106.2Q235 L239Q235-I237 VanDerWaalsContact C-N 3.34Å; Q235-I237 PolarHBondContact O-N 3.18Å; I237-L239 PolarHBondContact O-N 3.34Å
238S34.1Very low37.4Very low111 Ų111143.1 Ų143.178%0.77674%0.735SS**PPolyproline II helixtrans-54.8118174.745.70000111.1
239L31.5Very low35.7Very low147 Ų147148.9 Ų148.977%0.7776%0.759SS**PPolyproline II helixtrans-61.9143.9164.7-124.884.1000109.4I237I237-L239 PolarHBondContact O-N 3.34Å
240P32.7Very low34.6Very low111 Ų111148.9 Ų148.972%0.72177%0.765SS**PPolyproline II helixtrans-65.5135.2173.2-13.527.6000111Y242P240-Y242 PolarHBondContact O-N 2.97Å
241E31.1Very low33.5Very low203 Ų203151.5 Ų151.595%0.94977%0.77SS**SBendtrans-5891.1171.7-74.3170.1144.600111
242Y34.2Very low32.9Very low210 Ų210150.9 Ų150.982%0.82478%0.784SS**  trans-143.27.9163.1-153.2-99.4000113.8P240P240-Y242 PolarHBondContact O-N 2.97Å
243F31.4Very low32.2Very low193 Ų193155.5 Ų155.585%0.84680%0.799SS**SBendtrans-126.135.7-174.4-80.5-80.7000113.3
244S29.2Very low31.5Very low117 Ų117159.7 Ų159.782%0.81881%0.807SS**  trans-118.611.8179.5-169.40000115.2
245E30.9Very low31Very low175 Ų175164.1 Ų164.182%0.81881%0.814SS**SBendtrans-125.5131172.8-73.6-174.8159.600109.6
246H30.6Very low30.4Very low176 Ų176163.4 Ų163.482%0.81582%0.824SS**  trans94.461179.3-53-46.3000117.6
247F29.7Very low29.8Very low208 Ų208165 Ų16591%0.91282%0.823SS**  trans-134.795.8141.4-92.8-84.6000109.8
248H26.7Very low30.2Very low188 Ų188164 Ų16487%0.8783%0.825SS**  trans-144.6112.4155.1-89.6-67.7000110
249E26Very low29.7Very low182 Ų182168.2 Ų168.285%0.8583%0.832SS**  trans84.8157.9143.3-95.9-169.8-159.200122.2
250P30.6Very low29.7Very low104 Ų104169.8 Ų169.868%0.67584%0.836SS**  -120.8166.4-112.436.4-18.7000118
251F30Very low29.6Very low199 Ų199172.9 Ų172.987%0.87384%0.838SS**  trans8.1148.2162.5-73.1-82.6000121.4
252P32.7Very low29.3Very low120 Ų120169.1 Ų169.178%0.77983%0.829SS**  -154.4-175.452.440.1-15.7000119.4
253E31.1Very low29.1Very low181 Ų181167.5 Ų167.585%0.84683%0.829SS**  trans-31.1137.4178.2-61.7168.2142.100120.3
254E24.9Very low29.1Very low192 Ų192164.2 Ų164.290%0.89782%0.821SS**  -177.1162.5117.1-124.9176.4168.700113.9
255F27.8Very low29.6Very low195 Ų195165 Ų16586%0.85582%0.821SS**  trans-51.2143.8-171.9-89.5-113.4000118.4
256S23.8Very low30.2Very low119 Ų119165.7 Ų165.783%0.83282%0.821SS**  148.4143.1115.659.90000114.5
257K25.7Very low31.1Very low202 Ų202161.6 Ų161.688%0.87881%0.809SS**  trans-63.1-174.1-176.1-65.2173.1163174.70114
258P39.5Very low32.5Very low110 Ų110158.4 Ų158.471%0.71479%0.794SS**  -132.1120.1-72.137.1-18.2000110.7
259E23Very low34.3Very low200 Ų200154.2 Ų154.294%0.93578%0.777SS**  trans-135.7147.4171.7-92.1-176.3178.900114.5
260E33Very low36.3Very low181 Ų181146.2 Ų146.285%0.84674%0.741SS**  trans-64.8167.2-163.6-68.7172128.300114.3
261F28.9Very low37.9Very low176 Ų176149.3 Ų149.377%0.77275%0.749SS**  trans8682.3163.2-104.1-93.2000117.7
262T25Very low39.9Very low124 Ų124144 Ų14476%0.76173%0.726SS**  trans-148.7112.2130.934.50000110N264T262-N264 PolarHBondContact O-N 2.73Å
263Q31.1Very low41.8Very low176 Ų176145.3 Ų145.382%0.82272%0.722SS**  trans-60.395.1161.4-80.2163-63.400108.9
264N31.3Very low43.8Very low124 Ų124137.8 Ų137.866%0.66369%0.689SS**  trans-97.9117.8161.8-85.4-10.7000108.8T262 F266T262-N264 PolarHBondContact O-N 2.73Å; N264-F266 VanDerWaalsContact C-N 3.34Å; N264-F266 WeakPolarHBondContact O-CD2 3.41Å; N264-F266 PolarHBondContact O-N 2.93Å
265T39.7Very low46.4Very low134 Ų134136 Ų13682%0.82267%0.674SS**  trans-4989.6171.8-42.70000110.2V267T265-V267 VanDerWaalsContact C-N 3.33Å; T265-V267 PolarHBondContact O-N 3.39Å
266F44Very low49.1Very low189 Ų189127.9 Ų127.983%0.82964%0.639SS**  trans-67.295.6170-89-86.6000108.3N264 K268N264-F266 VanDerWaalsContact C-N 3.34Å; N264-F266 WeakPolarHBondContact O-CD2 3.41Å; N264-F266 PolarHBondContact O-N 2.93Å; F266-K268 PolarHBondContact O-N 2.9Å
267V49.5Very low51.9Low90 Ų90127.4 Ų127.455%0.54562%0.623SS.*  trans-58.8103.9162.7176.90000106.6I227 T265 I269I227-V267 HydrophobicContact CD1-CG1 3.68Å; I227-V267 HydrophobicContact CG1-CG1 4.25Å; T265-V267 VanDerWaalsContact C-N 3.33Å; T265-V267 PolarHBondContact O-N 3.39Å; V267-I269 PolarHBondContact O-N 2.84Å
268K58.2Low54.5Low141 Ų141119.9 Ų119.961%0.61360%0.599SS**  trans-72115.4179-72.9-168.7-177.1-178.60108.9P223 C226 I227 F266P223-K268 HydrophobicContact CB-CD 4.21Å; P223-K268 HydrophobicContact CG-CB 4.01Å; P223-K268 HydrophobicContact CG-CD 3.65Å; P223-K268 HydrophobicContact CG-CG 4.49Å; C226-K268 WeakPolarHBondContact CA-O 3.35Å; C226-K268 VanDerWaalsContact CB-O 3.22Å; C226-K268 WeakPolarHBondContact CB-O 3.3Å; I227-K268 PolarHBondContact N-O 2.9Å; F266-K268 PolarHBondContact O-N 2.9Å
269I64.1Low56.3Low99 Ų99115.9 Ų115.951%0.50857%0.571SS.*BIsolated β-bridgetrans-78.8133.5174.4-61.7167.2000108.2L229 V267 M271L229-I269 HydrophobicContact CD1-CB 4.29Å; L229-I269 HydrophobicContact CD1-CD1 3.76Å; L229-I269 HydrophobicContact CD1-CG1 3.77Å; L229-I269 HydrophobicContact CD1-CG2 3.55Å; V267-I269 PolarHBondContact O-N 2.84Å; I269-M271 PolarHBondContact O-N 3.45Å
270C68.5Low59Low15 Ų15113.1 Ų113.110%0.10156%0.557CS.*  trans-67.2128.3176.2-52.50000110.2C226 I227C226-C270 HydrophobicContact CB-CB 4.08Å; C226-C270 WeakPolarHBondContact CB-SG 3.25Å; C226-C270 PolarHBondContact O-SG 3.49Å; C226-C270 VanDerWaalsContact O-SG 3.35Å; C226-C270 VanDerWaalsContact SG-CA 3.6Å; C226-C270 WeakPolarHBondContact SG-CB 3.39Å; C226-C270 CovalentContact SG-SG 2.03Å; C226-C270 PolarHBondContact SG-SG 2.98Å; I227-C270 PolarHBondContact O-N 3.05Å
271M63.2Low61.3Low168 Ų168106.3 Ų106.383%0.82853%0.528SS*.SBendtrans-89.7-29176.1-67.1-158.4168.100113T221 I269T221-M271 PolarHBondContact O-N 3.39Å; I269-M271 PolarHBondContact O-N 3.45Å
272E72.4Confident63.9Low87 Ų87103.5 Ų103.541%0.40752%0.517SS..SBendtrans-142.4160.6179.4-64.8-176.2146.100110.5T221 H222T221-E272 PolarHBondContact OG1-OE2 2.72Å; H222-E272 PolarHBondContact CD2-O 3.44Å
273E72.6Confident66.7Low149 Ų14998 Ų9870%0.69648%0.483SS*.  trans-69150172.1-67.3-173.8164.900111.9N218 R275N218-E273 PolarHBondContact ND2-O 3.42Å; E273-R275 PolarHBondContact O-N 3.16Å
274P74.2Confident69.3Low23 Ų2395.4 Ų95.415%0.14947%0.466CS..  trans-66.6133.6-179.624.4-29.7000111.8F138 Q216 N218 F276F138-P274 HydrophobicContact CD1-CG 3.94Å; F138-P274 HydrophobicContact CE1-CG 3.49Å; F138-P274 VanDerWaalsContact CE1-CG 3.49Å; Q216-P274 HydrophobicContact CG-CB 4.45Å; N218-P274 WeakPolarHBondContact OD1-CA 3.45Å; P274-F276 HydrophobicContact CB-CE2 3.98Å; P274-F276 HydrophobicContact CB-CZ 3.87Å; P274-F276 HydrophobicContact CG-CE2 4.11Å; P274-F276 HydrophobicContact CG-CZ 4.21Å
275R79.6Confident72Confident153 Ų15395.4 Ų95.458%0.57747%0.465SS*.  trans-106.4132.5176.2-66-173.8-177.2170.76.2110.7Q216 T217 N218 E273Q216-R275 WeakPolarHBondContact CA-O 3.42Å; T217-R275 PolarHBondContact N-O 3.32Å; T217-R275 PolarHBondContact OG1-O 3.14Å; N218-R275 PolarHBondContact OD1-N 3.45Å; E273-R275 PolarHBondContact O-N 3.16Å
276F83.7Confident74.4Confident25 Ų2593.3 Ų93.311%0.1144%0.442CS..EExtended strand (participates in β ladder)trans-115.4132.4-176.8-60.8-75.9000112.1Y45 F138 E140 L141 K214 Y215 Q216 P274Y45-F276 HydrophobicContact CD2-CE1 4.45Å; Y45-F276 HydrophobicContact CD2-CZ 4.38Å; F138-F276 HydrophobicContact CB-CE2 4.39Å; F138-F276 HydrophobicContact CD1-CE2 4.03Å; F138-F276 HydrophobicContact CD1-CZ 4.26Å; F138-F276 HydrophobicContact CG-CE2 4.47Å; E140-F276 HydrophobicContact CB-CD2 4.41Å; L141-F276 HydrophobicContact CD1-CD1 3.99Å; L141-F276 HydrophobicContact CD1-CE1 4.22Å; L141-F276 HydrophobicContact CD1-CG 4.42Å; L141-F276 HydrophobicContact CD2-CE1 4.06Å; L141-F276 HydrophobicContact CD2-CZ 4.17Å; K214-F276 HydrophobicContact CB-CB 4.04Å; K214-F276 HydrophobicContact CD-CB 4.07Å; Y215-F276 WeakPolarHBondContact O-CA 3.4Å; Q216-F276 HydrophobicContact CB-CD1 4.33Å; Q216-F276 HydrophobicContact CB-CE1 4.18Å; P274-F276 HydrophobicContact CB-CE2 3.98Å; P274-F276 HydrophobicContact CB-CZ 3.87Å; P274-F276 HydrophobicContact CG-CE2 4.11Å; P274-F276 HydrophobicContact CG-CZ 4.21Å
277Q82.7Confident76.6Confident109 Ų10984.3 Ų84.351%0.50940%0.403SS..EExtended strand (participates in β ladder)trans-120.7142.7174.9-166.3176.219.400110.9K214 Y215 T217K214-Q277 CarbonylContact C-O 2.91Å; K214-Q277 WeakPolarHBondContact CA-O 3.38Å; K214-Q277 VanDerWaalsContact CB-O 3.31Å; K214-Q277 WeakPolarHBondContact CB-O 3.3Å; Y215-Q277 WeakPolarHBondContact CD1-O 3.45Å; Y215-Q277 HydrophobicContact CE1-CB 4.13Å; Y215-Q277 PolarHBondContact N-O 3.29Å; Y215-Q277 PolarHBondContact O-N 3.11Å; Y215-Q277 PolarHBondContact OH-OE1 3.19Å; T217-Q277 HydrophobicContact CG2-CB 3.69Å
278A80.5Confident78.4Confident44 Ų4482.6 Ų82.636%0.36440%0.395SS..EExtended strand (participates in β ladder)trans-62.2138.1173.900000111.3G211G211-A278 WeakPolarHBondContact O-CB 3.33Å
279N78Confident80Confident26 Ų2677.9 Ų77.914%0.13939%0.386CS..PPolyproline II helixtrans-63.5136.4175.4-78.8-59.8000111.3Y43 L213 Y215Y43-N279 PolarHBondContact OH-OD1 3.28Å; L213-N279 PolarHBondContact O-N 2.86Å; L213-N279 VanDerWaalsContact O-N 3.09Å; L213-N279 PolarHBondContact O-ND2 3.26Å; Y215-N279 WeakPolarHBondContact CD1-OD1 3.43Å
280F79.9Confident81.3Confident143 Ų14374.1 Ų74.163%0.62737%0.368SS*.PPolyproline II helixtrans-63.9134.8173.8-176.2-96000110.8Q282 L285F280-Q282 VanDerWaalsContact C-N 3.32Å; F280-Q282 PolarHBondContact O-N 3.2Å; F280-L285 HydrophobicContact CE1-CD1 4.18Å
281P81.3Confident82.4Confident38 Ų3875 Ų7525%0.24737%0.372CS..  trans-7380.7-176.431.2-37.7000112V208 T283 W284V208-P281 HydrophobicContact CB-CB 4.22Å; V208-P281 HydrophobicContact CG1-CB 3.5Å; V208-P281 VanDerWaalsContact CG1-CB 3.5Å; P281-T283 PolarHBondContact O-N 3.05Å; P281-T283 VanDerWaalsContact O-N 3.12Å; P281-W284 PolarHBondContact O-N 3.44Å
282Q81.7Confident83.7Confident116 Ų11671.1 Ų71.154%0.54236%0.36SS..THydrogen-bonded Turntrans-58.7-28.1-177.4-67.6-178.8-2.100113.6F280 W284 L285 W286F280-Q282 VanDerWaalsContact C-N 3.32Å; F280-Q282 PolarHBondContact O-N 3.2Å; Q282-W284 PolarHBondContact O-N 3.04Å; Q282-W284 VanDerWaalsContact O-N 3.08Å; Q282-L285 WeakPolarHBondContact O-CB 3.32Å; Q282-L285 PolarHBondContact O-N 3.45Å; Q282-W286 PolarHBondContact O-N 3Å
283T85.1Confident84.7Confident8 Ų870.5 Ų70.55%0.04936%0.36CS..Hα-helixtrans-51.4-34.2-178.3-62.60000113.7N65 L204 V208 P281 L285 W286 I287N65-T283 VanDerWaalsContact CG-OG1 3.29Å; N65-T283 PolarHBondContact ND2-OG1 3.12Å; N65-T283 VanDerWaalsContact OD1-CG2 3.24Å; N65-T283 WeakPolarHBondContact OD1-CG2 3.5Å; N65-T283 PolarHBondContact OD1-OG1 3.33Å; L204-T283 HydrophobicContact CD1-CG2 4.25Å; L204-T283 HydrophobicContact CG-CG2 4.22Å; V208-T283 HydrophobicContact CG2-CG2 3.97Å; P281-T283 PolarHBondContact O-N 3.05Å; P281-T283 VanDerWaalsContact O-N 3.12Å; T283-L285 VanDerWaalsContact C-N 3.29Å; T283-L285 PolarHBondContact O-N 3.33Å; T283-W286 PolarHBondContact O-N 3.07Å; T283-I287 HydrophobicContact CG2-CD1 3.49Å; T283-I287 VanDerWaalsContact CG2-CD1 3.49Å; T283-I287 HydrophobicContact CG2-CG1 4.29Å; T283-I287 WeakPolarHBondContact O-CG1 3.16Å; T283-I287 PolarHBondContact O-N 3.48Å
284W85.9Confident85.6Confident123 Ų12364.4 Ų64.447%0.46633%0.33SS..Hα-helixtrans-62.5-36.7177.7-75.667.7000112.3M205 P281 Q282 S288M205-W284 HydrophobicContact CB-CH2 4.18Å; M205-W284 HydrophobicContact CB-CZ2 3.67Å; M205-W284 HydrophobicContact CG-CZ2 4.26Å; M205-W284 PolarHBondContact O-NE1 3.4Å; M205-W284 VanDerWaalsContact O-NE1 3.1Å; M205-W284 HydrophobicContact SD-CB 4.49Å; M205-W284 HydrophobicContact SD-CD2 3.45Å; M205-W284 VanDerWaalsContact SD-CE2 3.55Å; M205-W284 HydrophobicContact SD-CE3 3.86Å; M205-W284 HydrophobicContact SD-CG 3.75Å; M205-W284 HydrophobicContact SD-CH2 4.42Å; M205-W284 HydrophobicContact SD-CZ2 4.07Å; M205-W284 HydrophobicContact SD-CZ3 4.32Å; P281-W284 PolarHBondContact O-N 3.44Å; Q282-W284 PolarHBondContact O-N 3.04Å; Q282-W284 VanDerWaalsContact O-N 3.08Å; W284-S288 WeakPolarHBondContact O-CB 3.44Å; W284-S288 PolarHBondContact O-N 3.24Å; W284-S288 PolarHBondContact O-OG 3.19Å
285L88.1Confident86.4Confident123 Ų12366.2 Ų66.264%0.64434%0.343SS*.Hα-helixtrans-67.6-37.7177.3-60.4172.3000111.6F280 Q282 T283F280-L285 HydrophobicContact CE1-CD1 4.18Å; Q282-L285 WeakPolarHBondContact O-CB 3.32Å; Q282-L285 PolarHBondContact O-N 3.45Å; T283-L285 VanDerWaalsContact C-N 3.29Å; T283-L285 PolarHBondContact O-N 3.33Å
286W88.9Confident87.1Confident90 Ų9061.8 Ų61.834%0.34134%0.339SS..Hα-helixtrans-69.7-37-179.6-69.891.8000113L29 N65 L66 S69 Q282 T283 P290L29-W286 HydrophobicContact CD1-CH2 4.48Å; N65-W286 HydrophobicContact CB-CB 4.34Å; N65-W286 HydrophobicContact CB-CD2 4.45Å; N65-W286 HydrophobicContact CB-CG 4.08Å; L66-W286 HydrophobicContact CB-CZ3 4.5Å; L66-W286 HydrophobicContact CD1-CZ3 3.94Å; S69-W286 VanDerWaalsContact CB-O 3.28Å; S69-W286 WeakPolarHBondContact CB-O 3.44Å; S69-W286 PolarHBondContact OG-O 2.89Å; Q282-W286 PolarHBondContact O-N 3Å; T283-W286 PolarHBondContact O-N 3.07Å; W286-P290 WeakPolarHBondContact O-CD 3.38Å
287I89.9Confident87.4Confident1 Ų161.2 Ų61.21%0.00534%0.336CS..Hα-helixtrans-101.3-34-165.9-62.4179.1000112.6C68 Y201 L204 M205 T283 G289 P290 L291C68-I287 HydrophobicContact CB-CD1 4.39Å; Y201-I287 HydrophobicContact CD1-CG2 3.59Å; Y201-I287 HydrophobicContact CE1-CD1 4.37Å; Y201-I287 HydrophobicContact CE1-CG2 3.61Å; L204-I287 HydrophobicContact CD2-CD1 3.31Å; L204-I287 HydrophobicContact CG-CD1 3.93Å; M205-I287 HydrophobicContact CE-CB 3.46Å; M205-I287 VanDerWaalsContact CE-CB 3.46Å; M205-I287 HydrophobicContact CE-CD1 3.68Å; M205-I287 HydrophobicContact CE-CG1 4.11Å; M205-I287 HydrophobicContact CE-CG2 3.4Å; T283-I287 HydrophobicContact CG2-CD1 3.49Å; T283-I287 VanDerWaalsContact CG2-CD1 3.49Å; T283-I287 HydrophobicContact CG2-CG1 4.29Å; T283-I287 WeakPolarHBondContact O-CG1 3.16Å; T283-I287 PolarHBondContact O-N 3.48Å; I287-G289 PolarHBondContact O-N 3.47Å; I287-P290 WeakPolarHBondContact O-CD 3.5Å; I287-L291 HydrophobicContact CG2-CB 4.28Å; I287-L291 HydrophobicContact CG2-CD2 4.45Å; I287-L291 WeakPolarHBondContact O-CB 3.33Å; I287-L291 PolarHBondContact O-N 3.45Å
288S88.3Confident87.7Confident53 Ų5360.7 Ų60.737%0.37133%0.33SS..Hα-helixtrans-55.6-46.8-175.353.60000112.8W284 L291 C292W284-S288 WeakPolarHBondContact O-CB 3.44Å; W284-S288 PolarHBondContact O-N 3.24Å; W284-S288 PolarHBondContact O-OG 3.19Å; S288-L291 PolarHBondContact O-N 3.46Å; S288-C292 VanDerWaalsContact O-CB 3.3Å; S288-C292 WeakPolarHBondContact O-CB 3.4Å; S288-C292 PolarHBondContact O-N 2.96Å; S288-C292 PolarHBondContact O-SG 3.05Å
289G91Very high88.2Confident42 Ų4263.7 Ų63.743%0.43334%0.339SS..Hα-helixtrans-57.6-61179.600000113.6I287 L291 C292 L293I287-G289 PolarHBondContact O-N 3.47Å; G289-L291 VanDerWaalsContact C-N 3.31Å; G289-L291 PolarHBondContact O-N 3.14Å; G289-C292 PolarHBondContact O-N 3.47Å; G289-L293 PolarHBondContact O-N 3.33Å
290P91.4Very high88.8Confident20 Ų2068.6 Ų68.613%0.1336%0.356CS..Hα-helixtrans-61.5-35.4177.7-2533.7000114S69 L73 W286 I287 L293 Y294S69-P290 WeakPolarHBondContact O-CB 3.21Å; S69-P290 WeakPolarHBondContact OG-CG 3.49Å; L73-P290 HydrophobicContact CD2-CB 4.09Å; W286-P290 WeakPolarHBondContact O-CD 3.38Å; I287-P290 WeakPolarHBondContact O-CD 3.5Å; P290-L293 PolarHBondContact O-N 2.85Å; P290-Y294 WeakPolarHBondContact O-CB 3.45Å; P290-Y294 PolarHBondContact O-N 2.94Å
291L91.1Very high89.1Confident35 Ų3562.6 Ų62.618%0.18333%0.33CS..Hα-helixtrans-65.7-46.4177.3-177.162.3000111.1L72 I287 S288 G289 L293 Y294 C295L72-L291 HydrophobicContact CD1-CB 4.35Å; L72-L291 HydrophobicContact CD1-CD1 3.97Å; I287-L291 HydrophobicContact CG2-CB 4.28Å; I287-L291 HydrophobicContact CG2-CD2 4.45Å; I287-L291 WeakPolarHBondContact O-CB 3.33Å; I287-L291 PolarHBondContact O-N 3.45Å; S288-L291 PolarHBondContact O-N 3.46Å; G289-L291 VanDerWaalsContact C-N 3.31Å; G289-L291 PolarHBondContact O-N 3.14Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 3.38Å; L291-Y294 PolarHBondContact O-N 2.85Å; L291-C295 WeakPolarHBondContact O-CB 3.48Å; L291-C295 PolarHBondContact O-N 3.21Å; L291-C295 PolarHBondContact O-SG 3.32Å
292C92.1Very high89.3Confident86 Ų8667.9 Ų67.958%0.58135%0.346SS*.Hα-helixtrans-59.8-43.7174.6-73.40000111.6S288 G289 Y294 C295 A296S288-C292 VanDerWaalsContact O-CB 3.3Å; S288-C292 WeakPolarHBondContact O-CB 3.4Å; S288-C292 PolarHBondContact O-N 2.96Å; S288-C292 PolarHBondContact O-SG 3.05Å; G289-C292 PolarHBondContact O-N 3.47Å; C292-Y294 PolarHBondContact O-N 3.08Å; C292-C295 PolarHBondContact O-N 3.11Å; C292-A296 WeakPolarHBondContact O-CB 3.48Å; C292-A296 PolarHBondContact O-N 3.44Å
293L92.7Very high89.6Confident74 Ų7467.5 Ų67.539%0.38735%0.346SS..Hα-helixtrans-61.2-43.8176.4179.661.8000111.9L73 L79 G289 P290 L291 E297L73-L293 HydrophobicContact CD2-CD2 3.87Å; L79-L293 HydrophobicContact CD2-CD1 4.46Å; L79-L293 HydrophobicContact CD2-CD2 3.89Å; L79-L293 HydrophobicContact CD2-CG 4.43Å; G289-L293 PolarHBondContact O-N 3.33Å; P290-L293 PolarHBondContact O-N 2.85Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 3.38Å; L293-E297 WeakPolarHBondContact O-CB 3.48Å; L293-E297 PolarHBondContact O-N 2.65Å
294Y92.1Very high89.5Confident21 Ų2170.4 Ų70.48%0.08236%0.356CS..Hα-helixtrans-63.1-46.1176174.6-96.6000111.9L72 M75 F197 F198 P290 L291 C292 A296 E297 R298L72-Y294 HydrophobicContact CB-CD2 4.49Å; M75-Y294 HydrophobicContact CB-CE2 4.29Å; F197-Y294 AromaticContact CE2-CE1 3.85Å; F197-Y294 HydrophobicContact CE2-CE1 3.85Å; F197-Y294 AromaticContact CZ-CE1 3.71Å; F197-Y294 HydrophobicContact CZ-CE1 3.71Å; F197-Y294 AromaticContact CZ-CZ 3.88Å; F197-Y294 WeakPolarHBondContact CZ-OH 3.35Å; F198-Y294 HydrophobicContact CE1-CE1 4.35Å; F198-Y294 HydrophobicContact CZ-CE1 4.39Å; P290-Y294 WeakPolarHBondContact O-CB 3.45Å; P290-Y294 PolarHBondContact O-N 2.94Å; L291-Y294 PolarHBondContact O-N 2.85Å; C292-Y294 PolarHBondContact O-N 3.08Å; Y294-A296 PolarHBondContact O-N 2.63Å; Y294-E297 PolarHBondContact O-N 3.02Å; Y294-R298 VanDerWaalsContact O-CB 3.32Å; Y294-R298 WeakPolarHBondContact O-CB 3.45Å; Y294-R298 PolarHBondContact O-N 3.25Å
295C91.3Very high89.4Confident60 Ų6065.8 Ų65.841%0.40534%0.343SS..Hα-helixtrans-62.3-43.4178.1-70.70000112L291 C292 R298 L299L291-C295 WeakPolarHBondContact O-CB 3.48Å; L291-C295 PolarHBondContact O-N 3.21Å; L291-C295 PolarHBondContact O-SG 3.32Å; C292-C295 PolarHBondContact O-N 3.11Å; C295-R298 PolarHBondContact O-N 3.36Å; C295-L299 WeakPolarHBondContact O-CB 3.3Å; C295-L299 PolarHBondContact O-N 3.21Å
296A92.4Very high89.1Confident60 Ų6064 Ų6450%0.49633%0.334SS..Hα-helixtrans-62.5-44176.200000111.9C292 Y294 L299 Y300C292-A296 WeakPolarHBondContact O-CB 3.48Å; C292-A296 PolarHBondContact O-N 3.44Å; Y294-A296 PolarHBondContact O-N 2.63Å; A296-L299 PolarHBondContact O-N 3.01Å; A296-Y300 WeakPolarHBondContact O-CB 3.36Å; A296-Y300 PolarHBondContact O-N 3.26Å
297E91.9Very high89Confident13 Ų1365.5 Ų65.56%0.06134%0.343CS..Hα-helixtrans-64.5-40.2176.4-171.2-83.3174.500111.9C76 R77 I78 L293 Y294 Y300 R301C76-E297 HydrophobicContact CB-CG 4.13Å; R77-E297 PolarHBondContact N-OE1 2.86Å; I78-E297 HydrophobicContact CB-CG 4.09Å; I78-E297 WeakPolarHBondContact CB-OE1 3.27Å; I78-E297 PolarHBondContact N-OE1 2.82Å; L293-E297 WeakPolarHBondContact O-CB 3.48Å; L293-E297 PolarHBondContact O-N 2.65Å; Y294-E297 PolarHBondContact O-N 3.02Å; E297-Y300 PolarHBondContact O-N 2.86Å; E297-R301 PolarHBondContact O-N 2.96Å; E297-R301 VanDerWaalsContact OE1-CD 3.31Å; E297-R301 WeakPolarHBondContact OE1-CD 3.1Å; E297-R301 IonicContact OE1-CZ 3.67Å; E297-R301 IonicContact OE1-NE 3.56Å; E297-R301 PolarHBondContact OE1-NE 3.25Å; E297-R301 IonicContact OE1-NH2 3.99Å; E297-R301 IonicContact OE2-CZ 3.38Å; E297-R301 IonicContact OE2-NE 2.63Å; E297-R301 PolarHBondContact OE2-NE 3.32Å; E297-R301 IonicContact OE2-NH2 3.09Å; E297-R301 PolarHBondContact OE2-NH2 3.43Å
298R88.8Confident88.9Confident99 Ų9968.9 Ų68.937%0.37437%0.365SS..Hα-helixtrans-65.5-42.7177.5-171.867.4171.4170-1.8111.7Y294 C295 R301 Y302Y294-R298 VanDerWaalsContact O-CB 3.32Å; Y294-R298 WeakPolarHBondContact O-CB 3.45Å; Y294-R298 PolarHBondContact O-N 3.25Å; C295-R298 PolarHBondContact O-N 3.36Å; R298-R301 WeakPolarHBondContact O-CB 3.37Å; R298-R301 PolarHBondContact O-N 2.95Å; R298-Y302 PolarHBondContact O-N 3.2Å
299L90Very high89Confident106 Ų10666.8 Ų66.856%0.55535%0.35SS*.Hα-helixtrans-63.5-45.2175.718060.7000111.1C295 A296 R301 Y302 I303C295-L299 WeakPolarHBondContact O-CB 3.3Å; C295-L299 PolarHBondContact O-N 3.21Å; A296-L299 PolarHBondContact O-N 3.01Å; L299-R301 PolarHBondContact O-N 3.35Å; L299-Y302 PolarHBondContact O-N 2.95Å; L299-I303 HydrophobicContact CD1-CD1 4.14Å; L299-I303 HydrophobicContact CD1-CG1 4.45Å; L299-I303 HydrophobicContact CG-CD1 3.98Å; L299-I303 WeakPolarHBondContact O-CG1 3.29Å; L299-I303 PolarHBondContact O-N 3.43Å
300Y89.9Confident89Confident129 Ų12969.1 Ų69.151%0.50636%0.356SS..Hα-helixtrans-61.5-42.1176.3-179.8-104.7000112.3I78 A296 E297 I303 R304I78-Y300 HydrophobicContact CD1-CD1 3.47Å; I78-Y300 VanDerWaalsContact CD1-CD1 3.47Å; I78-Y300 HydrophobicContact CD1-CE1 3.69Å; I78-Y300 HydrophobicContact CG2-CD1 4.16Å; I78-Y300 HydrophobicContact CG2-CE1 4.05Å; A296-Y300 WeakPolarHBondContact O-CB 3.36Å; A296-Y300 PolarHBondContact O-N 3.26Å; E297-Y300 PolarHBondContact O-N 2.86Å; Y300-I303 PolarHBondContact O-N 2.68Å; Y300-R304 WeakPolarHBondContact O-CB 3.33Å; Y300-R304 PolarHBondContact O-N 3.38Å
301R87.1Confident88.9Confident17 Ų1768.8 Ų68.86%0.06435%0.353CS..Hα-helixtrans-56.8-49.9172.6-85.8-170.2-69.7174.7-8111.8I78 E297 R298 L299 I303 R304 S305 D410I78-R301 HydrophobicContact CD1-CB 4.32Å; I78-R301 HydrophobicContact CD1-CG 3.26Å; I78-R301 HydrophobicContact CG1-CG 3.78Å; E297-R301 PolarHBondContact O-N 2.96Å; E297-R301 VanDerWaalsContact OE1-CD 3.31Å; E297-R301 WeakPolarHBondContact OE1-CD 3.1Å; E297-R301 IonicContact OE1-CZ 3.67Å; E297-R301 IonicContact OE1-NE 3.56Å; E297-R301 PolarHBondContact OE1-NE 3.25Å; E297-R301 IonicContact OE1-NH2 3.99Å; E297-R301 IonicContact OE2-CZ 3.38Å; E297-R301 IonicContact OE2-NE 2.63Å; E297-R301 PolarHBondContact OE2-NE 3.32Å; E297-R301 IonicContact OE2-NH2 3.09Å; E297-R301 PolarHBondContact OE2-NH2 3.43Å; R298-R301 WeakPolarHBondContact O-CB 3.37Å; R298-R301 PolarHBondContact O-N 2.95Å; L299-R301 PolarHBondContact O-N 3.35Å; R301-I303 PolarHBondContact O-N 2.94Å; R301-R304 PolarHBondContact O-N 2.84Å; R301-S305 WeakPolarHBondContact O-CB 3.43Å; R301-S305 PolarHBondContact O-N 3.04Å; R301-S305 PolarHBondContact O-OG 3.25Å; R301-S305 VanDerWaalsContact O-OG 3.05Å; R301-D410 WeakPolarHBondContact CD-OD2 3.37Å
302Y85.9Confident88.7Confident149 Ų14971.1 Ų71.158%0.58437%0.365SS*.Hα-helixtrans-57.8-48.1-179.6-179.4-101.9000111.5R298 L299 R304 S305 N306R298-Y302 PolarHBondContact O-N 3.2Å; L299-Y302 PolarHBondContact O-N 2.95Å; Y302-R304 VanDerWaalsContact C-N 3.31Å; Y302-R304 PolarHBondContact O-N 2.96Å; Y302-S305 PolarHBondContact O-N 3.07Å; Y302-S305 PolarHBondContact O-OG 3.45Å; Y302-N306 VanDerWaalsContact O-CB 3.32Å; Y302-N306 WeakPolarHBondContact O-CB 3.26Å; Y302-N306 PolarHBondContact O-N 3.01Å
303I86.9Confident88.5Confident108 Ų10868.5 Ų68.555%0.55435%0.347SS*.Hα-helixtrans-60.3-41.6178.1-65.5162.8000111.3L299 Y300 R301L299-I303 HydrophobicContact CD1-CD1 4.14Å; L299-I303 HydrophobicContact CD1-CG1 4.45Å; L299-I303 HydrophobicContact CG-CD1 3.98Å; L299-I303 WeakPolarHBondContact O-CG1 3.29Å; L299-I303 PolarHBondContact O-N 3.43Å; Y300-I303 PolarHBondContact O-N 2.68Å; R301-I303 PolarHBondContact O-N 2.94Å
304R84.5Confident88.3Confident70 Ų7065.7 Ų65.726%0.26433%0.333SS..Hα-helixtrans-71.5-36.4179.9-172.3-17871.1158.41.9113.4Y300 R301 Y302 K328 D410 G411Y300-R304 WeakPolarHBondContact O-CB 3.33Å; Y300-R304 PolarHBondContact O-N 3.38Å; R301-R304 PolarHBondContact O-N 2.84Å; Y302-R304 VanDerWaalsContact C-N 3.31Å; Y302-R304 PolarHBondContact O-N 2.96Å; R304-K328 PolarHBondContact O-NZ 3.39Å; R304-D410 IonicContact CZ-OD1 3.37Å; R304-D410 IonicContact NE-OD1 2.69Å; R304-D410 IonicContact NH2-OD1 3.02Å; R304-D410 PolarHBondContact NH2-OD1 3.49Å; R304-G411 PolarHBondContact NH1-O 3.35Å
305S83.2Confident88.1Confident25 Ų2567.4 Ų67.418%0.17534%0.343CS..Hα-helixtrans-83.8-18.1-176.865.20000113.3R301 Y302 K307 Y408R301-S305 WeakPolarHBondContact O-CB 3.43Å; R301-S305 PolarHBondContact O-N 3.04Å; R301-S305 PolarHBondContact O-OG 3.25Å; R301-S305 VanDerWaalsContact O-OG 3.05Å; Y302-S305 PolarHBondContact O-N 3.07Å; Y302-S305 PolarHBondContact O-OG 3.45Å; S305-K307 PolarHBondContact O-N 2.87Å; S305-K307 VanDerWaalsContact O-N 3.1Å; S305-Y408 WeakPolarHBondContact O-CD1 3.49Å
306N82.6Confident87.9Confident86 Ų8668.4 Ų68.446%0.4635%0.351SS..  trans-67.7-8.3-174.4-162.224.7000114.8Y302 Y408Y302-N306 VanDerWaalsContact O-CB 3.32Å; Y302-N306 WeakPolarHBondContact O-CB 3.26Å; Y302-N306 PolarHBondContact O-N 3.01Å; N306-Y408 WeakPolarHBondContact O-CE1 3.42Å
307K85.4Confident87.6Confident121 Ų12167.2 Ų67.253%0.52634%0.335SS..SBendtrans-83.5122.7171.6-69.7-168.9173-1660110.6S305 E329S305-K307 PolarHBondContact O-N 2.87Å; S305-K307 VanDerWaalsContact O-N 3.1Å; K307-E329 IonicContact NZ-OE2 3.93Å
308P88.4Confident87.2Confident73 Ų7369.2 Ų69.247%0.47435%0.349SS..EExtended strand (participates in β ladder)trans-67.2156.8177.330.2-35000111.2L407 Y408P308-L407 CarbonylContact C-O 3.58Å; P308-L407 WeakPolarHBondContact CA-O 3.41Å; P308-Y408 HydrophobicContact CB-CE1 4.13Å
309V90.5Very high86.8Confident8 Ų865.9 Ų65.95%0.04834%0.341CS..EExtended strand (participates in β ladder)trans-107.7139.3-180-1790000109.8M326 V327 K328 F367 L407 I409V309-M326 HydrophobicContact CG1-CB 3.66Å; V309-M326 HydrophobicContact CG1-CG 4.03Å; V309-M326 HydrophobicContact CG1-SD 4.19Å; V309-V327 WeakPolarHBondContact CG1-O 3.49Å; V309-K328 HydrophobicContact CG1-CB 4.37Å; V309-K328 HydrophobicContact CG2-CB 4.23Å; V309-K328 HydrophobicContact CG2-CD 3.81Å; V309-K328 HydrophobicContact CG2-CG 4.19Å; V309-F367 HydrophobicContact CG1-CZ 4Å; V309-L407 PolarHBondContact N-O 3.46Å; V309-I409 HydrophobicContact CB-CD1 4.01Å; V309-I409 HydrophobicContact CB-CG1 4.33Å; V309-I409 HydrophobicContact CG1-CD1 3.82Å; V309-I409 HydrophobicContact CG2-CB 3.92Å; V309-I409 HydrophobicContact CG2-CD1 3.64Å; V309-I409 HydrophobicContact CG2-CG1 3.67Å
310T89.9Confident86.6Confident91 Ų9164.9 Ų64.956%0.55834%0.336SS*.EExtended strand (participates in β ladder)trans-89.1122.4178.7-53.30000109.7M326 V327T310-M326 WeakPolarHBondContact O-CA 3.42Å; T310-V327 HydrophobicContact CG2-CG1 4.45Å; T310-V327 PolarHBondContact N-O 2.81Å; T310-V327 PolarHBondContact O-N 3.27Å
311I89.5Confident86.5Confident14 Ų1459 Ų597%0.07231%0.313CS..EExtended strand (participates in β ladder)trans-81.8124.1173.3-65.3161.9000108.3V314 I324 M326 L385 Y404 L407I311-V314 HydrophobicContact CG2-CG2 3.75Å; I311-I324 HydrophobicContact CG1-CG2 4.38Å; I311-I324 HydrophobicContact CG2-CG2 4.23Å; I311-M326 HydrophobicContact CG1-CG 4.29Å; I311-L385 HydrophobicContact CD1-CD2 4.03Å; I311-Y404 HydrophobicContact CB-CD1 4.5Å; I311-Y404 HydrophobicContact CB-CD2 3.78Å; I311-Y404 HydrophobicContact CB-CE2 4.39Å; I311-Y404 HydrophobicContact CB-CG 3.84Å; I311-Y404 HydrophobicContact CD1-CD1 4.45Å; I311-Y404 HydrophobicContact CD1-CG 4.18Å; I311-Y404 HydrophobicContact CG2-CD1 4.05Å; I311-Y404 HydrophobicContact CG2-CD2 3.71Å; I311-Y404 HydrophobicContact CG2-CE1 4.19Å; I311-Y404 HydrophobicContact CG2-CE2 3.85Å; I311-Y404 HydrophobicContact CG2-CG 3.82Å; I311-L407 HydrophobicContact CD1-CB 4.35Å; I311-L407 HydrophobicContact CD1-CD2 4.2Å; I311-L407 HydrophobicContact CG1-CD2 4.24Å
312I88.1Confident86.7Confident84 Ų8458.2 Ų58.243%0.43131%0.31SS..EExtended strand (participates in β ladder)trans-90.5-47.3179.1-63.3172.3000110.1R325 V327 T366I312-R325 HydrophobicContact CB-CB 4.49Å; I312-R325 PolarHBondContact N-O 3.15Å; I312-V327 HydrophobicContact CD1-CB 3.88Å; I312-V327 HydrophobicContact CD1-CG1 3.91Å; I312-V327 HydrophobicContact CG1-CG1 4.09Å; I312-T366 HydrophobicContact CD1-CG2 3.32Å
313S87.9Confident86.9Confident31 Ų3151.9 Ų51.922%0.21729%0.286CS..EExtended strand (participates in β ladder)trans-155.4149.9-178.753.20000111.2R325S313-R325 PolarHBondContact N-O 3Å; S313-R325 PolarHBondContact O-N 2.85Å; S313-R325 WeakPolarHBondContact OG-CB 3.32Å; S313-R325 WeakPolarHBondContact OG-CD 3.48Å
314V88.7Confident87.1Confident14 Ų1446.8 Ų46.89%0.08526%0.26CS..EExtended strand (participates in β ladder)trans-125124.8173.8-177.20000107.2I311 M322 E323 L385 L386 Y404I311-V314 HydrophobicContact CG2-CG2 3.75Å; V314-M322 HydrophobicContact CG1-CG 3.72Å; V314-M322 HydrophobicContact CG1-SD 3.49Å; V314-M322 WeakPolarHBondContact CG1-SD 3.25Å; V314-E323 CarbonylContact C-O 3.58Å; V314-E323 WeakPolarHBondContact CA-O 3.31Å; V314-L385 HydrophobicContact CG1-CB 4.22Å; V314-L385 HydrophobicContact CG1-CD1 4.48Å; V314-L385 HydrophobicContact CG2-CB 4.4Å; V314-L385 HydrophobicContact CG2-CD1 4.31Å; V314-L385 HydrophobicContact CG2-CD2 4.49Å; V314-L386 HydrophobicContact CB-CD2 4.46Å; V314-L386 HydrophobicContact CG1-CD1 4.12Å; V314-L386 HydrophobicContact CG1-CD2 4.04Å; V314-L386 HydrophobicContact CG1-CG 3.94Å; V314-Y404 HydrophobicContact CB-CE1 4.47Å; V314-Y404 HydrophobicContact CG2-CD1 4.33Å; V314-Y404 HydrophobicContact CG2-CE1 3.67Å
315I88.1Confident87.5Confident58 Ų5847.8 Ų47.830%0.29726%0.264SS..EExtended strand (participates in β ladder)trans-122.8128.9-176.3-55.1169.4000108M322 E323I315-M322 WeakPolarHBondContact O-CA 3.5Å; I315-E323 HydrophobicContact CB-CB 4.25Å; I315-E323 PolarHBondContact N-O 2.9Å; I315-E323 PolarHBondContact O-N 2.87Å
316S86.9Confident88Confident81 Ų8146.6 Ų46.657%0.56626%0.256SS*.EExtended strand (participates in β ladder)trans-90.5131.8173-171.70000109.8
317H85.9Confident88.4Confident34 Ų3444.6 Ų44.616%0.15725%0.247CC..EExtended strand (participates in β ladder)trans-115.3155.6179-71.2-69.4000110.5V321 E323 H370 W471H317-V321 WeakPolarHBondContact CA-O 3.33Å; H317-V321 HydrophobicContact CB-CB 4.04Å; H317-V321 HydrophobicContact CB-CG1 4.37Å; H317-V321 WeakPolarHBondContact CB-O 3.33Å; H317-V321 PolarHBondContact N-O 2.9Å; H317-V321 PolarHBondContact O-N 3.41Å; H317-E323 IonicContact CD2-OE2 3.53Å; H317-E323 IonicContact CE1-OE2 3.51Å; H317-E323 IonicContact NE2-OE2 3.94Å; H317-E323 PolarHBondContact NE2-OE2 3.02Å; H317-H370 AromaticContact NE2-NE2 3.88Å; H317-W471 HydrophobicContact CB-CB 3.9Å; H317-W471 HydrophobicContact CB-CG 4.26Å; H317-W471 VanDerWaalsContact ND1-CB 3.27Å; H317-W471 WeakPolarHBondContact ND1-CB 3.15Å
318P82.6Confident88.5Confident55 Ų5540.3 Ų40.336%0.35723%0.228SC..THydrogen-bonded Turntrans-56.7156.6174-23.333.4000112.7Q467P318-Q467 HydrophobicContact CB-CB 4.18Å
319S80.8Confident88.4Confident30 Ų3043.7 Ų43.721%0.2124%0.237CC..THydrogen-bonded Turntrans69.533.8-178.2-38.20000114.9V321 S468S319-V321 VanDerWaalsContact C-N 3.33Å; S319-V321 PolarHBondContact O-N 3.34Å; S319-S468 PolarHBondContact OG-N 3.2Å; S319-S468 PolarHBondContact OG-OG 2.78Å; S319-S468 VanDerWaalsContact OG-OG 3.11Å
320D86.4Confident88Confident85 Ų8551 Ų5146%0.45528%0.276SS..THydrogen-bonded Turntrans56.343.8178.5-68.5-61.3000113K372 I373 R382D320-K372 CarbonylContact O-C 3.47Å; D320-K372 WeakPolarHBondContact O-CA 3.43Å; D320-I373 HydrophobicContact CB-CB 4.2Å; D320-I373 HydrophobicContact CB-CD1 4.35Å; D320-I373 PolarHBondContact O-N 3.09Å; D320-R382 IonicContact OD1-CZ 3.68Å; D320-R382 IonicContact OD1-NH1 3.32Å; D320-R382 IonicContact OD1-NH2 3.68Å; D320-R382 PolarHBondContact OD1-NH2 3.01Å; D320-R382 VanDerWaalsContact OD1-NH2 3.1Å
321V88.1Confident87.8Confident4 Ų447.7 Ų47.72%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-109.1136.6176.3179.50000109.1H317 S319 H370 L371 K372 I433H317-V321 WeakPolarHBondContact CA-O 3.33Å; H317-V321 HydrophobicContact CB-CB 4.04Å; H317-V321 HydrophobicContact CB-CG1 4.37Å; H317-V321 WeakPolarHBondContact CB-O 3.33Å; H317-V321 PolarHBondContact N-O 2.9Å; H317-V321 PolarHBondContact O-N 3.41Å; S319-V321 VanDerWaalsContact C-N 3.33Å; S319-V321 PolarHBondContact O-N 3.34Å; V321-H370 HydrophobicContact CG1-CB 4.3Å; V321-L371 WeakPolarHBondContact CA-O 3.03Å; V321-K372 HydrophobicContact CG2-CB 4.43Å; V321-K372 HydrophobicContact CG2-CG 4.3Å; V321-I433 HydrophobicContact CG1-CD1 4.1Å; V321-I433 HydrophobicContact CG2-CD1 3.93Å
322M89.9Confident87.7Confident1 Ų155.8 Ų55.81%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-121.1132.4175.5-178.2171.654.600109.6V314 I315 I324 H370 L371 F381 R382 L385 L386V314-M322 HydrophobicContact CG1-CG 3.72Å; V314-M322 HydrophobicContact CG1-SD 3.49Å; V314-M322 WeakPolarHBondContact CG1-SD 3.25Å; I315-M322 WeakPolarHBondContact O-CA 3.5Å; M322-I324 HydrophobicContact CE-CD1 4.12Å; M322-I324 HydrophobicContact CG-CG1 4.26Å; M322-H370 WeakPolarHBondContact O-CA 3.49Å; M322-L371 HydrophobicContact CB-CD1 4.47Å; M322-L371 HydrophobicContact CB-CG 4.42Å; M322-L371 HydrophobicContact CE-CD1 3.88Å; M322-L371 HydrophobicContact CE-CD2 4.05Å; M322-L371 HydrophobicContact CE-CG 4.21Å; M322-L371 PolarHBondContact N-O 3.26Å; M322-L371 PolarHBondContact O-N 3.34Å; M322-F381 HydrophobicContact CE-CD1 3.83Å; M322-F381 HydrophobicContact CE-CE1 4.13Å; M322-R382 HydrophobicContact CE-CB 4.38Å; M322-L385 HydrophobicContact CE-CD1 3.91Å; M322-L385 HydrophobicContact SD-CB 4.28Å; M322-L385 HydrophobicContact SD-CD1 4.04Å; M322-L386 HydrophobicContact CG-CD1 4.49Å; M322-L386 HydrophobicContact SD-CD1 3.99Å; M322-L386 HydrophobicContact SD-CG 4.43Å
323E90.7Very high87.7Confident17 Ų1752.4 Ų52.48%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-102.2132.4172.2175.3-175.5176.200109.4V314 I315 H317 R325 V369 H370V314-E323 CarbonylContact C-O 3.58Å; V314-E323 WeakPolarHBondContact CA-O 3.31Å; I315-E323 HydrophobicContact CB-CB 4.25Å; I315-E323 PolarHBondContact N-O 2.9Å; I315-E323 PolarHBondContact O-N 2.87Å; H317-E323 IonicContact CD2-OE2 3.53Å; H317-E323 IonicContact CE1-OE2 3.51Å; H317-E323 IonicContact NE2-OE2 3.94Å; H317-E323 PolarHBondContact NE2-OE2 3.02Å; E323-R325 HydrophobicContact CG-CG 4.47Å; E323-R325 IonicContact OE1-CZ 3.03Å; E323-R325 VanDerWaalsContact OE1-CZ 3.26Å; E323-R325 IonicContact OE1-NE 3.82Å; E323-R325 PolarHBondContact OE1-NE 3.3Å; E323-R325 IonicContact OE1-NH2 2.98Å; E323-R325 PolarHBondContact OE1-NH2 3.41Å; E323-R325 IonicContact OE2-NH2 2.82Å; E323-V369 WeakPolarHBondContact CA-O 3.25Å; E323-H370 VanDerWaalsContact CG-CE1 3.48Å; E323-H370 WeakPolarHBondContact CG-CE1 3.33Å; E323-H370 IonicContact OE1-CE1 3.23Å; E323-H370 IonicContact OE2-CE1 3.85Å; E323-H370 IonicContact OE2-NE2 2.69Å
324I91.8Very high87.6Confident0 Ų056.8 Ų56.80%029%0.285CS..EExtended strand (participates in β ladder)trans-123.4124.1176.5-52.7176.1000108.3I311 M322 M326 G368 V369 L371 F381 L385I311-I324 HydrophobicContact CG1-CG2 4.38Å; I311-I324 HydrophobicContact CG2-CG2 4.23Å; M322-I324 HydrophobicContact CE-CD1 4.12Å; M322-I324 HydrophobicContact CG-CG1 4.26Å; I324-M326 HydrophobicContact CB-CE 4.47Å; I324-M326 HydrophobicContact CG2-CE 4.21Å; I324-M326 HydrophobicContact CG2-CG 3.84Å; I324-M326 HydrophobicContact CG2-SD 4.03Å; I324-G368 CarbonylContact O-C 3.58Å; I324-G368 WeakPolarHBondContact O-CA 3.49Å; I324-V369 HydrophobicContact CB-CG2 4.15Å; I324-V369 PolarHBondContact N-O 3.03Å; I324-V369 PolarHBondContact O-N 3.46Å; I324-L371 HydrophobicContact CD1-CD2 3.81Å; I324-F381 HydrophobicContact CD1-CD1 4.42Å; I324-F381 HydrophobicContact CD1-CE1 3.33Å; I324-F381 HydrophobicContact CD1-CZ 3.67Å; I324-L385 HydrophobicContact CD1-CD1 3.61Å; I324-L385 HydrophobicContact CG1-CD1 4.28Å
325R91.8Very high87.6Confident91 Ų9157 Ų5734%0.34329%0.287SS..EExtended strand (participates in β ladder)trans-105.4132.6173.7-58.5-173.9-178.2167.84.1110.3I312 S313 E323 M358 F367I312-R325 HydrophobicContact CB-CB 4.49Å; I312-R325 PolarHBondContact N-O 3.15Å; S313-R325 PolarHBondContact N-O 3Å; S313-R325 PolarHBondContact O-N 2.85Å; S313-R325 WeakPolarHBondContact OG-CB 3.32Å; S313-R325 WeakPolarHBondContact OG-CD 3.48Å; E323-R325 HydrophobicContact CG-CG 4.47Å; E323-R325 IonicContact OE1-CZ 3.03Å; E323-R325 VanDerWaalsContact OE1-CZ 3.26Å; E323-R325 IonicContact OE1-NE 3.82Å; E323-R325 PolarHBondContact OE1-NE 3.3Å; E323-R325 IonicContact OE1-NH2 2.98Å; E323-R325 PolarHBondContact OE1-NH2 3.41Å; E323-R325 IonicContact OE2-NH2 2.82Å; R325-M358 HydrophobicContact CG-CE 4.32Å; R325-F367 WeakPolarHBondContact CA-O 3.2Å
326M92.9Very high87.5Confident0 Ų054.2 Ų54.20%027%0.273CS..EExtended strand (participates in β ladder)trans-137.3157.3-168.2-69.9171.4-72.900111.2V309 T310 I311 I324 I339 T366 F367 V369 L407 I409V309-M326 HydrophobicContact CG1-CB 3.66Å; V309-M326 HydrophobicContact CG1-CG 4.03Å; V309-M326 HydrophobicContact CG1-SD 4.19Å; T310-M326 WeakPolarHBondContact O-CA 3.42Å; I311-M326 HydrophobicContact CG1-CG 4.29Å; I324-M326 HydrophobicContact CB-CE 4.47Å; I324-M326 HydrophobicContact CG2-CE 4.21Å; I324-M326 HydrophobicContact CG2-CG 3.84Å; I324-M326 HydrophobicContact CG2-SD 4.03Å; M326-I339 HydrophobicContact CE-CD1 4.38Å; M326-T366 WeakPolarHBondContact O-CA 3.3Å; M326-F367 HydrophobicContact CB-CD2 4.27Å; M326-F367 HydrophobicContact CB-CE1 4.2Å; M326-F367 HydrophobicContact CB-CE2 3.76Å; M326-F367 HydrophobicContact CB-CZ 3.73Å; M326-F367 HydrophobicContact CE-CD2 4.19Å; M326-F367 HydrophobicContact CE-CE2 3.81Å; M326-F367 PolarHBondContact N-O 3.42Å; M326-F367 WeakPolarHBondContact O-CD1 3.49Å; M326-F367 PolarHBondContact O-N 3.46Å; M326-F367 HydrophobicContact SD-CE2 4.28Å; M326-V369 HydrophobicContact CE-CG1 4.19Å; M326-V369 HydrophobicContact CE-CG2 3.76Å; M326-L407 HydrophobicContact SD-CD2 3.41Å; M326-L407 WeakPolarHBondContact SD-CD2 3.34Å; M326-I409 HydrophobicContact CE-CD1 4.17Å; M326-I409 HydrophobicContact SD-CD1 3.56Å; M326-I409 VanDerWaalsContact SD-CD1 3.56Å
327V91.6Very high87.7Confident45 Ų4551 Ų5127%0.27325%0.249SC..EExtended strand (participates in β ladder)trans-133.9138.9170.163.20000110.5V309 T310 I312 A365V309-V327 WeakPolarHBondContact CG1-O 3.49Å; T310-V327 HydrophobicContact CG2-CG1 4.45Å; T310-V327 PolarHBondContact N-O 2.81Å; T310-V327 PolarHBondContact O-N 3.27Å; I312-V327 HydrophobicContact CD1-CB 3.88Å; I312-V327 HydrophobicContact CD1-CG1 3.91Å; I312-V327 HydrophobicContact CG1-CG1 4.09Å; V327-A365 HydrophobicContact CG2-CB 4.06Å
328K88.7Confident87.9Confident30 Ų3051.2 Ų51.213%0.1325%0.248CC..  trans-141.8134.2178.7-175.5177.8-173.8165.90109R304 V309 F331 F367 I409R304-K328 PolarHBondContact O-NZ 3.39Å; V309-K328 HydrophobicContact CG1-CB 4.37Å; V309-K328 HydrophobicContact CG2-CB 4.23Å; V309-K328 HydrophobicContact CG2-CD 3.81Å; V309-K328 HydrophobicContact CG2-CG 4.19Å; K328-F331 HydrophobicContact CB-CB 3.86Å; K328-F331 HydrophobicContact CB-CG 4.41Å; K328-F331 HydrophobicContact CD-CB 4.38Å; K328-F331 HydrophobicContact CD-CD2 4.23Å; K328-F331 HydrophobicContact CG-CB 4.2Å; K328-F331 WeakPolarHBondContact O-CB 3.48Å; K328-F331 PolarHBondContact O-N 2.59Å; K328-F367 HydrophobicContact CB-CE1 3.83Å; K328-F367 HydrophobicContact CB-CZ 4.16Å; K328-I409 PolarHBondContact NZ-O 3.29Å; K328-I409 VanDerWaalsContact NZ-O 3.09Å
329E84.9Confident88.3Confident144 Ų14448.6 Ų48.667%0.67323%0.231SC*.THydrogen-bonded Turntrans-59138.3176.1-64.2179.1168.700111.6K307 F331K307-E329 IonicContact NZ-OE2 3.93Å; E329-F331 PolarHBondContact O-N 3.26Å
330N82.7Confident88.8Confident161 Ų16147.6 Ų47.686%0.86122%0.224SC*.THydrogen-bonded Turntrans54.723.3177.1-62.3-34.2000114.8K332N330-K332 PolarHBondContact O-N 2.96Å
331F86.1Confident88.9Confident22 Ų2243.6 Ų43.610%0.09620%0.202CC..  trans-86.6110.1177.1-172.9-104.5000110.6K328 E329 A333 I339 L356 P360 F367 P412K328-F331 HydrophobicContact CB-CB 3.86Å; K328-F331 HydrophobicContact CB-CG 4.41Å; K328-F331 HydrophobicContact CD-CB 4.38Å; K328-F331 HydrophobicContact CD-CD2 4.23Å; K328-F331 HydrophobicContact CG-CB 4.2Å; K328-F331 WeakPolarHBondContact O-CB 3.48Å; K328-F331 PolarHBondContact O-N 2.59Å; E329-F331 PolarHBondContact O-N 3.26Å; F331-A333 HydrophobicContact CD1-CB 4.5Å; F331-A333 HydrophobicContact CE1-CB 3.74Å; F331-A333 HydrophobicContact CZ-CB 4.03Å; F331-I339 HydrophobicContact CE2-CG2 4.39Å; F331-I339 HydrophobicContact CZ-CG2 3.78Å; F331-L356 HydrophobicContact CE1-CD1 4.49Å; F331-L356 HydrophobicContact CZ-CD1 4.42Å; F331-P360 HydrophobicContact CD1-CG 4.12Å; F331-P360 WeakPolarHBondContact O-CG 3.13Å; F331-F367 HydrophobicContact CB-CE1 4.49Å; F331-F367 AromaticContact CD1-CD1 3.5Å; F331-F367 HydrophobicContact CD1-CD1 3.5Å; F331-F367 HydrophobicContact CD1-CD2 4.47Å; F331-F367 AromaticContact CD1-CE1 3.55Å; F331-F367 HydrophobicContact CD1-CE1 3.55Å; F331-F367 AromaticContact CD1-CG 3.99Å; F331-F367 HydrophobicContact CD1-CG 3.99Å; F331-F367 HydrophobicContact CD1-CZ 4.08Å; F331-F367 HydrophobicContact CE1-CB 4.44Å; F331-F367 AromaticContact CE1-CD1 3.83Å; F331-F367 HydrophobicContact CE1-CD1 3.83Å; F331-F367 AromaticContact CE1-CD2 3.98Å; F331-F367 HydrophobicContact CE1-CD2 3.98Å; F331-F367 AromaticContact CE1-CE1 3.99Å; F331-F367 HydrophobicContact CE1-CE1 3.99Å; F331-F367 HydrophobicContact CE1-CE2 4.14Å; F331-F367 AromaticContact CE1-CG 3.82Å; F331-F367 HydrophobicContact CE1-CG 3.82Å; F331-F367 HydrophobicContact CE1-CZ 4.14Å; F331-F367 HydrophobicContact CG-CD1 4.46Å; F331-F367 HydrophobicContact CG-CE1 4.13Å; F331-P412 HydrophobicContact CZ-CB 4.29Å
332K87.1Confident89Confident184 Ų18445.1 Ų45.180%0.821%0.209SC*.  trans-110.2127.3173.7-63.7-175.5179.5-174.60108.7N330 P412N330-K332 PolarHBondContact O-N 2.96Å; K332-P412 VanDerWaalsContact O-CG 3.32Å; K332-P412 WeakPolarHBondContact O-CG 3.41Å
333A87.4Confident89Confident14 Ų1445 Ų4512%0.11621%0.209CC..  trans-136.5153.2177.600000111.5F331 L356 P360 P412F331-A333 HydrophobicContact CD1-CB 4.5Å; F331-A333 HydrophobicContact CE1-CB 3.74Å; F331-A333 HydrophobicContact CZ-CB 4.03Å; A333-L356 HydrophobicContact CB-CD1 3.43Å; A333-L356 VanDerWaalsContact CB-CD1 3.43Å; A333-P360 HydrophobicContact CB-CG 4.44Å; A333-P412 HydrophobicContact CB-CB 4.06Å; A333-P412 HydrophobicContact CB-CG 4.22Å
334R87.7Confident88.7Confident122 Ų12246.8 Ų46.846%0.4622%0.222SC..  trans-109155.9178.1-63.1-168.8-70.7-122.93.4111.2Q337 C359 E418R334-Q337 HydrophobicContact CB-CG 4.17Å; R334-Q337 VanDerWaalsContact O-CB 3.25Å; R334-Q337 WeakPolarHBondContact O-CB 3.4Å; R334-Q337 VanDerWaalsContact O-CG 3.27Å; R334-Q337 WeakPolarHBondContact O-CG 3.4Å; R334-Q337 PolarHBondContact O-N 3.3Å; R334-C359 VanDerWaalsContact C-SG 3.58Å; R334-E418 IonicContact CZ-OE1 2.78Å; R334-E418 IonicContact NE-OE1 3.91Å; R334-E418 PolarHBondContact NE-OE1 3.19Å; R334-E418 IonicContact NH2-OE1 3.55Å; R334-E418 PolarHBondContact NH2-OE1 2.75Å
335P88.1Confident88.5Confident19 Ų1950.4 Ų50.412%0.12325%0.247CC..THydrogen-bonded Turntrans-59.2142.9177.9-2436000112.1Q337 E418 L421 I441 T444P335-Q337 PolarHBondContact O-N 3.26Å; P335-E418 WeakPolarHBondContact O-CA 3.5Å; P335-L421 HydrophobicContact CB-CD1 4.49Å; P335-L421 HydrophobicContact CG-CD1 4.49Å; P335-I441 HydrophobicContact CB-CG1 4.41Å; P335-T444 HydrophobicContact CG-CG2 3.97Å; P335-T444 WeakPolarHBondContact CG-OG1 3.22Å
336G86Confident88.1Confident0 Ų047 Ų470%024%0.236CC..THydrogen-bonded Turntrans75.72.8-175.200000114.9S415 S440G336-S415 WeakPolarHBondContact O-CB 3.33Å; G336-S415 PolarHBondContact O-OG 2.93Å; G336-S440 PolarHBondContact N-OG 2.93Å
337Q89.8Confident87.6Confident12 Ų1247.9 Ų47.96%0.05624%0.242CC..  trans-81.2158.8171.7-66-171.9-32.100111.8R334 P335 T355 L356 P412 F413R334-Q337 HydrophobicContact CB-CG 4.17Å; R334-Q337 VanDerWaalsContact O-CB 3.25Å; R334-Q337 WeakPolarHBondContact O-CB 3.4Å; R334-Q337 VanDerWaalsContact O-CG 3.27Å; R334-Q337 WeakPolarHBondContact O-CG 3.4Å; R334-Q337 PolarHBondContact O-N 3.3Å; P335-Q337 PolarHBondContact O-N 3.26Å; Q337-T355 WeakPolarHBondContact O-CG2 3.43Å; Q337-L356 HydrophobicContact CB-CD1 4.28Å; Q337-L356 WeakPolarHBondContact O-CB 3.49Å; Q337-L356 PolarHBondContact O-N 3.25Å; Q337-P412 HydrophobicContact CB-CB 4.21Å; Q337-P412 VanDerWaalsContact OE1-CB 3.27Å; Q337-F413 WeakPolarHBondContact CA-O 3.42Å; Q337-F413 VanDerWaalsContact CB-O 3.25Å; Q337-F413 WeakPolarHBondContact CB-O 3.15Å
338Y90.7Very high86.9Confident39 Ų3948.8 Ų48.815%0.15326%0.255CS..EExtended strand (participates in β ladder)trans-124.3161.9175.873.1-87.1000111.2P353 F354 F413 F577Y338-P353 HydrophobicContact CD2-CB 4.02Å; Y338-P353 HydrophobicContact CE2-CB 4.19Å; Y338-F354 WeakPolarHBondContact CA-O 3.35Å; Y338-F354 WeakPolarHBondContact CB-O 3.37Å; Y338-F413 HydrophobicContact CD1-CB 4.09Å; Y338-F413 HydrophobicContact CD2-CB 4.3Å; Y338-F413 HydrophobicContact CD2-CD2 4.39Å; Y338-F413 HydrophobicContact CE1-CB 3.59Å; Y338-F413 HydrophobicContact CE2-CB 3.83Å; Y338-F413 AromaticContact CE2-CD2 3.91Å; Y338-F413 HydrophobicContact CE2-CD2 3.91Å; Y338-F413 HydrophobicContact CE2-CG 4.21Å; Y338-F413 HydrophobicContact CG-CB 4.41Å; Y338-F413 VanDerWaalsContact CZ-CB 3.44Å; Y338-F413 PolarHBondContact N-O 3Å; Y338-F413 PolarHBondContact O-N 3.18Å; Y338-F577 AromaticContact CD1-CE1 3.84Å; Y338-F577 HydrophobicContact CD1-CE1 3.84Å; Y338-F577 AromaticContact CD1-CZ 3.81Å; Y338-F577 HydrophobicContact CD1-CZ 3.81Å; Y338-F577 AromaticContact CD2-CE1 3.71Å; Y338-F577 HydrophobicContact CD2-CE1 3.71Å; Y338-F577 HydrophobicContact CD2-CZ 4.25Å; Y338-F577 HydrophobicContact CE1-CE1 4.2Å; Y338-F577 HydrophobicContact CE2-CE1 4.09Å; Y338-F577 AromaticContact CG-CE1 3.57Å; Y338-F577 HydrophobicContact CG-CE1 3.57Å; Y338-F577 AromaticContact CG-CZ 3.65Å; Y338-F577 HydrophobicContact CG-CZ 3.65Å
339I91.6Very high86.1Confident0 Ų050.4 Ų50.40%026%0.264CS..EExtended strand (participates in β ladder)trans-123.9160.3176.757.2163.7000109.8M326 F331 P353 F354 L356 F367 V369 I409M326-I339 HydrophobicContact CE-CD1 4.38Å; F331-I339 HydrophobicContact CE2-CG2 4.39Å; F331-I339 HydrophobicContact CZ-CG2 3.78Å; I339-P353 CarbonylContact O-C 3.58Å; I339-P353 VanDerWaalsContact O-CA 3.29Å; I339-P353 WeakPolarHBondContact O-CA 3.38Å; I339-F354 PolarHBondContact N-O 2.98Å; I339-F354 PolarHBondContact O-N 3.19Å; I339-L356 HydrophobicContact CD1-CD2 4.09Å; I339-L356 HydrophobicContact CG1-CD2 4.06Å; I339-L356 HydrophobicContact CG2-CD1 4.14Å; I339-L356 HydrophobicContact CG2-CD2 3.88Å; I339-L356 HydrophobicContact CG2-CG 4.1Å; I339-F367 HydrophobicContact CD1-CE2 4.29Å; I339-V369 HydrophobicContact CD1-CG1 3.76Å; I339-V369 HydrophobicContact CG1-CG1 4.02Å; I339-I409 HydrophobicContact CB-CG2 3.75Å; I339-I409 HydrophobicContact CD1-CD1 3.84Å; I339-I409 HydrophobicContact CD1-CG1 4.33Å; I339-I409 HydrophobicContact CD1-CG2 3.75Å; I339-I409 HydrophobicContact CG1-CG2 4.34Å; I339-I409 HydrophobicContact CG2-CG2 3.97Å
340I90.4Very high85.8Confident10 Ų1044 Ų445%0.05123%0.234CC..EExtended strand (participates in β ladder)trans-106.5126.3170.1-58.3169.4000107.1N351 H352 I409 D410 F413I340-N351 HydrophobicContact CG2-CB 3.58Å; I340-H352 WeakPolarHBondContact CA-O 3.38Å; I340-I409 WeakPolarHBondContact O-CA 3.38Å; I340-D410 HydrophobicContact CB-CB 4.28Å; I340-D410 PolarHBondContact N-O 2.96Å; I340-D410 PolarHBondContact O-N 2.87Å; I340-F413 HydrophobicContact CB-CE2 4.5Å; I340-F413 HydrophobicContact CD1-CD2 4.1Å; I340-F413 HydrophobicContact CD1-CE2 3.42Å; I340-F413 VanDerWaalsContact CD1-CE2 3.42Å; I340-F413 HydrophobicContact CD1-CZ 4.11Å; I340-F413 HydrophobicContact CG1-CD2 4.1Å; I340-F413 HydrophobicContact CG1-CE2 3.74Å
341L90Very high85.9Confident0 Ų038.9 Ų38.90%021%0.207CC..EExtended strand (participates in β ladder)trans-106.6132.6-177.4-173.1161.2000109C343 H352 F354 W377 F381 L407L341-C343 HydrophobicContact CD2-CB 4.37Å; L341-H352 PolarHBondContact N-O 3.09Å; L341-H352 PolarHBondContact O-N 3.03Å; L341-F354 HydrophobicContact CB-CD2 3.86Å; L341-F354 HydrophobicContact CB-CE2 4.15Å; L341-F354 HydrophobicContact CD1-CD2 4.22Å; L341-F354 HydrophobicContact CD1-CE2 4.45Å; L341-W377 HydrophobicContact CD2-CH2 3.55Å; L341-W377 HydrophobicContact CD2-CZ2 3.8Å; L341-F381 HydrophobicContact CD1-CE1 4.36Å; L341-F381 HydrophobicContact CD1-CZ 4.15Å; L341-F381 HydrophobicContact CD2-CE1 4.47Å; L341-F381 HydrophobicContact CD2-CE2 4.35Å; L341-F381 HydrophobicContact CD2-CZ 3.99Å; L341-L407 HydrophobicContact CD1-CD1 4.2Å; L341-L407 HydrophobicContact CD1-CD2 4.01Å; L341-L407 HydrophobicContact CD1-CG 4.49Å; L341-L407 HydrophobicContact CD2-CD1 3.38Å; L341-L407 HydrophobicContact CD2-CG 4.32Å; L341-L407 HydrophobicContact CG-CD1 3.73Å; L341-L407 HydrophobicContact CG-CD2 4.18Å; L341-L407 HydrophobicContact CG-CG 4.14Å
342H89.4Confident85.8Confident36 Ų3639.7 Ų39.717%0.16721%0.211CC..EExtended strand (participates in β ladder)trans-127.1123.2178174.4-120.7000109.1A348 E350 Y408H342-A348 PolarHBondContact NE2-O 2.88Å; H342-E350 PolarHBondContact CD2-O 2.67Å; H342-E350 VanDerWaalsContact CD2-O 3.31Å; H342-Y408 PolarHBondContact N-O 3.16Å; H342-Y408 AromaticContact ND1-CD2 3.94Å; H342-Y408 PolarHBondContact O-N 2.96Å
343C88.8Confident85.9Confident0 Ų033.1 Ų33.10%019%0.187CC..  trans-125.297.8177.6-172.50000109.1L341 S345 V346 S347 W377 F381 L407L341-C343 HydrophobicContact CD2-CB 4.37Å; C343-S345 PolarHBondContact O-N 3.18Å; C343-S345 VanDerWaalsContact O-N 3.11Å; C343-V346 HydrophobicContact CB-CB 4.44Å; C343-V346 HydrophobicContact CB-CG2 4.27Å; C343-V346 PolarHBondContact O-N 2.74Å; C343-S347 PolarHBondContact O-N 3.44Å; C343-S347 VanDerWaalsContact O-N 3.1Å; C343-W377 HydrophobicContact CB-CZ2 4.26Å; C343-F381 HydrophobicContact CB-CD2 4.18Å; C343-F381 HydrophobicContact CB-CE2 3.95Å; C343-L407 HydrophobicContact CB-CD1 3.84Å
344P86.4Confident86.1Confident54 Ų5433.8 Ų33.835%0.35119%0.187SC..THydrogen-bonded Turntrans-56.2-28.4-178.7-2531.5000114.1V346 S347 Y408P344-V346 VanDerWaalsContact C-N 3.28Å; P344-V346 PolarHBondContact O-N 2.96Å; P344-S347 WeakPolarHBondContact CA-O 3.45Å; P344-Y408 HydrophobicContact CG-CD2 3.91Å; P344-Y408 HydrophobicContact CG-CE2 3.8Å
345S85.8Confident86.2Confident76 Ų7628.2 Ų28.253%0.53117%0.167SC..THydrogen-bonded Turntrans-70.5-21.8178.6-53.70000113.6C343C343-S345 PolarHBondContact O-N 3.18Å; C343-S345 VanDerWaalsContact O-N 3.11Å
346V83.5Confident86.4Confident18 Ų1827.3 Ų27.311%0.10916%0.161CC..THydrogen-bonded Turntrans-94.5-49.3174.21780000110.7C343 P344 W377 R380 F381 L384C343-V346 HydrophobicContact CB-CB 4.44Å; C343-V346 HydrophobicContact CB-CG2 4.27Å; C343-V346 PolarHBondContact O-N 2.74Å; P344-V346 VanDerWaalsContact C-N 3.28Å; P344-V346 PolarHBondContact O-N 2.96Å; V346-W377 VanDerWaalsContact CG1-CD1 3.45Å; V346-W377 HydrophobicContact CG1-CD2 4.35Å; V346-W377 HydrophobicContact CG1-CG 4Å; V346-R380 HydrophobicContact CG1-CB 3.75Å; V346-F381 HydrophobicContact CG2-CB 4.03Å; V346-F381 HydrophobicContact CG2-CD2 3.83Å; V346-F381 HydrophobicContact CG2-CG 4.42Å; V346-L384 HydrophobicContact CG2-CD1 4.22Å
347S82.2Confident86.6Confident19 Ų1927.4 Ų27.413%0.13316%0.162CC..  trans-150.4134.1174.7171.60000109.5C343 P344 L349 E350C343-S347 PolarHBondContact O-N 3.44Å; C343-S347 VanDerWaalsContact O-N 3.1Å; P344-S347 WeakPolarHBondContact CA-O 3.45Å; S347-L349 PolarHBondContact O-N 3.43Å; S347-E350 WeakPolarHBondContact OG-CG 3.29Å; S347-E350 PolarHBondContact OG-N 3.39Å
348A77.8Confident86.5Confident65 Ų6528.8 Ų28.854%0.53717%0.169SC..SBendtrans-62.5-28.1-176.600000113H342H342-A348 PolarHBondContact NE2-O 2.88Å
349L71.1Confident86.4Confident64 Ų6427.8 Ų27.834%0.33517%0.167SC..SBendtrans-130.5-13-166.9-61.7174.4000114.7W191 Y192 S347 N351W191-L349 HydrophobicContact CE3-CB 4.31Å; W191-L349 HydrophobicContact CE3-CD1 4.47Å; W191-L349 HydrophobicContact CH2-CB 3.94Å; W191-L349 HydrophobicContact CH2-CD1 4.02Å; W191-L349 HydrophobicContact CH2-CD2 4.13Å; W191-L349 HydrophobicContact CH2-CG 4.25Å; W191-L349 HydrophobicContact CZ2-CB 4.33Å; W191-L349 HydrophobicContact CZ3-CB 3.93Å; W191-L349 HydrophobicContact CZ3-CD1 3.64Å; W191-L349 HydrophobicContact CZ3-CG 4.25Å; Y192-L349 HydrophobicContact CD1-CD1 4.5Å; Y192-L349 HydrophobicContact CE1-CD1 3.44Å; Y192-L349 VanDerWaalsContact CE1-CD1 3.44Å; Y192-L349 WeakPolarHBondContact OH-CD1 3.47Å; S347-L349 PolarHBondContact O-N 3.43Å; L349-N351 PolarHBondContact O-ND2 2.78Å
350E80.1Confident86.1Confident8 Ų828.9 Ų28.94%0.03717%0.174CC..  trans-74.2136.1-178.2-72.8-163.7153.100113.7D188 H342 S347 H352D188-E350 WeakPolarHBondContact OD1-CG 3.43Å; H342-E350 PolarHBondContact CD2-O 2.67Å; H342-E350 VanDerWaalsContact CD2-O 3.31Å; S347-E350 WeakPolarHBondContact OG-CG 3.29Å; S347-E350 PolarHBondContact OG-N 3.39Å; E350-H352 IonicContact OE2-CD2 2.88Å; E350-H352 IonicContact OE2-CE1 2.68Å; E350-H352 IonicContact OE2-NE2 2.66Å; E350-H352 PolarHBondContact OE2-NE2 3.47Å
351N83.6Confident85.7Confident55 Ų5531.1 Ų31.129%0.29419%0.188SC..  trans-128.1112.4-174.3-81.3-79.9000109.3I340 L349I340-N351 HydrophobicContact CG2-CB 3.58Å; L349-N351 PolarHBondContact O-ND2 2.78Å
352H85.1Confident84.9Confident39 Ų3941 Ų4118%0.18124%0.235CC..EExtended strand (participates in β ladder)trans-111126.7-171.8-69.8-79.2000112I340 L341 E350 F354 W377I340-H352 WeakPolarHBondContact CA-O 3.38Å; L341-H352 PolarHBondContact N-O 3.09Å; L341-H352 PolarHBondContact O-N 3.03Å; E350-H352 IonicContact OE2-CD2 2.88Å; E350-H352 IonicContact OE2-CE1 2.68Å; E350-H352 IonicContact OE2-NE2 2.66Å; E350-H352 PolarHBondContact OE2-NE2 3.47Å; H352-F354 HydrophobicContact CB-CD2 4.42Å; H352-F354 HydrophobicContact CB-CE2 3.58Å; H352-F354 HydrophobicContact CB-CZ 3.85Å; H352-W377 HydrophobicContact CB-CZ3 4.44Å; H352-W377 AromaticContact CD2-CD1 3.69Å; H352-W377 AromaticContact CD2-CD2 3.24Å; H352-W377 AromaticContact CD2-CE2 3.32Å; H352-W377 AromaticContact CD2-CE3 3.73Å; H352-W377 AromaticContact CD2-CG 3.53Å; H352-W377 AromaticContact CD2-CZ2 3.89Å; H352-W377 AromaticContact CD2-NE1 3.53Å; H352-W377 AromaticContact NE2-CD1 3.35Å; H352-W377 VanDerWaalsContact NE2-CD1 3.35Å; H352-W377 AromaticContact NE2-CD2 3.44Å; H352-W377 AromaticContact NE2-CE2 3.83Å; H352-W377 AromaticContact NE2-CG 3.15Å; H352-W377 AromaticContact NE2-NE1 3.71Å
353P88.8Confident84.2Confident46 Ų4645.4 Ų45.430%0.29926%0.264SS..EExtended strand (participates in β ladder)trans-82130.2179.532.4-33000111.9Y338 I339 F577Y338-P353 HydrophobicContact CD2-CB 4.02Å; Y338-P353 HydrophobicContact CE2-CB 4.19Å; I339-P353 CarbonylContact O-C 3.58Å; I339-P353 VanDerWaalsContact O-CA 3.29Å; I339-P353 WeakPolarHBondContact O-CA 3.38Å; P353-F577 HydrophobicContact CB-CD1 3.72Å; P353-F577 HydrophobicContact CB-CE1 4.13Å; P353-F577 HydrophobicContact CG-CB 4.34Å; P353-F577 HydrophobicContact CG-CD1 3.82Å; P353-F577 HydrophobicContact CG-CG 4.43Å
354F91Very high83.8Confident27 Ų2750.9 Ų50.912%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-132.2136.3175.4-62.7-70.5000111.4Y338 I339 L341 H352 V369 L371 W377Y338-F354 WeakPolarHBondContact CA-O 3.35Å; Y338-F354 WeakPolarHBondContact CB-O 3.37Å; I339-F354 PolarHBondContact N-O 2.98Å; I339-F354 PolarHBondContact O-N 3.19Å; L341-F354 HydrophobicContact CB-CD2 3.86Å; L341-F354 HydrophobicContact CB-CE2 4.15Å; L341-F354 HydrophobicContact CD1-CD2 4.22Å; L341-F354 HydrophobicContact CD1-CE2 4.45Å; H352-F354 HydrophobicContact CB-CD2 4.42Å; H352-F354 HydrophobicContact CB-CE2 3.58Å; H352-F354 HydrophobicContact CB-CZ 3.85Å; F354-V369 HydrophobicContact CB-CB 4.23Å; F354-V369 HydrophobicContact CB-CG1 4.15Å; F354-L371 HydrophobicContact CD1-CB 3.77Å; F354-L371 HydrophobicContact CE1-CB 3.53Å; F354-L371 HydrophobicContact CE1-CD2 4.48Å; F354-L371 HydrophobicContact CZ-CB 4.2Å; F354-L371 HydrophobicContact CZ-CD2 4.38Å; F354-W377 HydrophobicContact CE2-CH2 4.1Å; F354-W377 AromaticContact CE2-CZ3 3.89Å; F354-W377 HydrophobicContact CE2-CZ3 3.89Å; F354-W377 HydrophobicContact CZ-CE3 4.49Å; F354-W377 HydrophobicContact CZ-CH2 4.42Å; F354-W377 AromaticContact CZ-CZ3 3.75Å; F354-W377 HydrophobicContact CZ-CZ3 3.75Å
355T91.1Very high83.7Confident5 Ų551.3 Ų51.33%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-72.5140.6176.3-45.30000111.4Q337 T357 P437 F577Q337-T355 WeakPolarHBondContact O-CG2 3.43Å; T355-T357 PolarHBondContact O-N 2.99Å; T355-P437 HydrophobicContact CG2-CB 3.8Å; T355-P437 HydrophobicContact CG2-CG 3.95Å; T355-F577 WeakPolarHBondContact OG1-CE2 3.33Å
356L91.6Very high83.9Confident0 Ų049.8 Ų49.80%028%0.283CS..EExtended strand (participates in β ladder)trans-71.4124.2172.5-64.8170.9000109.5F331 A333 Q337 I339 F367 V369 S440F331-L356 HydrophobicContact CE1-CD1 4.49Å; F331-L356 HydrophobicContact CZ-CD1 4.42Å; A333-L356 HydrophobicContact CB-CD1 3.43Å; A333-L356 VanDerWaalsContact CB-CD1 3.43Å; Q337-L356 HydrophobicContact CB-CD1 4.28Å; Q337-L356 WeakPolarHBondContact O-CB 3.49Å; Q337-L356 PolarHBondContact O-N 3.25Å; I339-L356 HydrophobicContact CD1-CD2 4.09Å; I339-L356 HydrophobicContact CG1-CD2 4.06Å; I339-L356 HydrophobicContact CG2-CD1 4.14Å; I339-L356 HydrophobicContact CG2-CD2 3.88Å; I339-L356 HydrophobicContact CG2-CG 4.1Å; L356-F367 HydrophobicContact CD2-CD2 3.87Å; L356-V369 HydrophobicContact CD2-CG1 4.13Å; L356-S440 WeakPolarHBondContact O-CB 3.16Å; L356-S440 PolarHBondContact O-OG 2.88Å
357T90.6Very high84.3Confident2 Ų248.9 Ų48.91%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-95.5-24.6174.556.40000112.2T355 G368 H370 T436 A439 S440 N443T355-T357 PolarHBondContact O-N 2.99Å; T357-G368 PolarHBondContact N-O 3.27Å; T357-G368 PolarHBondContact OG1-O 3.5Å; T357-G368 VanDerWaalsContact OG1-O 3.04Å; T357-H370 VanDerWaalsContact CB-ND1 3.35Å; T357-H370 WeakPolarHBondContact CB-ND1 3.42Å; T357-H370 HydrophobicContact CG2-CB 3.86Å; T357-H370 VanDerWaalsContact CG2-ND1 3.31Å; T357-H370 WeakPolarHBondContact CG2-ND1 3.43Å; T357-H370 PolarHBondContact OG1-CE1 3.49Å; T357-H370 PolarHBondContact OG1-ND1 3.16Å; T357-T436 HydrophobicContact CG2-CG2 4.1Å; T357-A439 HydrophobicContact CG2-CB 3.87Å; T357-A439 CarbonylContact O-C 3.54Å; T357-S440 VanDerWaalsContact O-CA 3.24Å; T357-S440 WeakPolarHBondContact O-CA 3.48Å; T357-S440 PolarHBondContact O-N 3.36Å; T357-S440 VanDerWaalsContact O-N 3.17Å; T357-N443 PolarHBondContact O-ND2 3.38Å
358M88Confident84.7Confident42 Ų4248 Ų4821%0.20727%0.272CS..EExtended strand (participates in β ladder)trans-132.3129.4173.5-175.517170.100108.3R325 T366 F367 G368R325-M358 HydrophobicContact CG-CE 4.32Å; M358-T366 WeakPolarHBondContact CE-OG1 3.15Å; M358-F367 WeakPolarHBondContact O-CA 3.35Å; M358-F367 VanDerWaalsContact O-CB 3.3Å; M358-F367 WeakPolarHBondContact O-CB 3.13Å; M358-G368 PolarHBondContact N-O 2.78Å; M358-G368 PolarHBondContact O-N 3.35Å; M358-G368 VanDerWaalsContact O-N 3.11Å
359C87.7Confident85.4Confident18 Ų1844.9 Ų44.912%0.12225%0.246CC..  trans-103146.5178.6-64.50000109.7R334R334-C359 VanDerWaalsContact C-SG 3.58Å
360P86Confident86.4Confident22 Ų2242.7 Ų42.714%0.14323%0.234CC..  trans-7013517631.1-31000109.4F331 A333 K364F331-P360 HydrophobicContact CD1-CG 4.12Å; F331-P360 WeakPolarHBondContact O-CG 3.13Å; A333-P360 HydrophobicContact CB-CG 4.44Å; P360-K364 CarbonylContact C-O 3.45Å; P360-K364 VanDerWaalsContact CA-O 3.28Å; P360-K364 WeakPolarHBondContact CA-O 3.46Å
361T81.2Confident86.8Confident57 Ų5742.4 Ų42.435%0.3523%0.233SC..  trans-110.8171.2173.357.70000109.7T363 K364T361-T363 PolarHBondContact O-N 3.45Å; T361-T363 VanDerWaalsContact O-N 3.15Å; T361-T363 PolarHBondContact OG1-OG1 3.49Å; T361-K364 PolarHBondContact N-O 3.01Å; T361-K364 CarbonylContact O-C 3.59Å; T361-K364 PolarHBondContact O-N 3Å; T361-K364 VanDerWaalsContact O-O 3.1Å; T361-K364 PolarHBondContact OG1-N 3.26Å
362E74.1Confident87Confident209 Ų20943.8 Ų43.898%0.97724%0.236SC*.SBendtrans-58.1-28.5177.7-64.6-176169.400112.5
363T74.1Confident87.1Confident127 Ų12742.6 Ų42.678%0.77923%0.231SC*.SBendtrans-94.8-24.1-179.956.70000113.7T361T361-T363 PolarHBondContact O-N 3.45Å; T361-T363 VanDerWaalsContact O-N 3.15Å; T361-T363 PolarHBondContact OG1-OG1 3.49Å
364K79.9Confident86.7Confident116 Ų11645.3 Ų45.350%0.50425%0.246SC..  trans-127.5105.7-178.8-62.6175.1-175.1166.70110.1P360 T361 T366P360-K364 CarbonylContact C-O 3.45Å; P360-K364 VanDerWaalsContact CA-O 3.28Å; P360-K364 WeakPolarHBondContact CA-O 3.46Å; T361-K364 PolarHBondContact N-O 3.01Å; T361-K364 CarbonylContact O-C 3.59Å; T361-K364 PolarHBondContact O-N 3Å; T361-K364 VanDerWaalsContact O-O 3.1Å; T361-K364 PolarHBondContact OG1-N 3.26Å; K364-T366 PolarHBondContact O-N 2.92Å
365A84.8Confident86.2Confident63 Ų6345.5 Ų45.552%0.52126%0.257SS..  trans-72.6-2.7176.300000114V327V327-A365 HydrophobicContact CG2-CB 4.06Å
366T88.9Confident85.8Confident43 Ų4350 Ų5026%0.26428%0.28SS..EExtended strand (participates in β ladder)trans-84.2139-176.161.80000111I312 M326 M358 K364I312-T366 HydrophobicContact CD1-CG2 3.32Å; M326-T366 WeakPolarHBondContact O-CA 3.3Å; M358-T366 WeakPolarHBondContact CE-OG1 3.15Å; K364-T366 PolarHBondContact O-N 2.92Å
367F92.2Very high85.5Confident0 Ų050.3 Ų50.30%028%0.282CS..EExtended strand (participates in β ladder)trans-130.1160.3170.864.2-88.4000109.3V309 R325 M326 K328 F331 I339 L356 M358 I409V309-F367 HydrophobicContact CG1-CZ 4Å; R325-F367 WeakPolarHBondContact CA-O 3.2Å; M326-F367 HydrophobicContact CB-CD2 4.27Å; M326-F367 HydrophobicContact CB-CE1 4.2Å; M326-F367 HydrophobicContact CB-CE2 3.76Å; M326-F367 HydrophobicContact CB-CZ 3.73Å; M326-F367 HydrophobicContact CE-CD2 4.19Å; M326-F367 HydrophobicContact CE-CE2 3.81Å; M326-F367 PolarHBondContact N-O 3.42Å; M326-F367 WeakPolarHBondContact O-CD1 3.49Å; M326-F367 PolarHBondContact O-N 3.46Å; M326-F367 HydrophobicContact SD-CE2 4.28Å; K328-F367 HydrophobicContact CB-CE1 3.83Å; K328-F367 HydrophobicContact CB-CZ 4.16Å; F331-F367 HydrophobicContact CB-CE1 4.49Å; F331-F367 AromaticContact CD1-CD1 3.5Å; F331-F367 HydrophobicContact CD1-CD1 3.5Å; F331-F367 HydrophobicContact CD1-CD2 4.47Å; F331-F367 AromaticContact CD1-CE1 3.55Å; F331-F367 HydrophobicContact CD1-CE1 3.55Å; F331-F367 AromaticContact CD1-CG 3.99Å; F331-F367 HydrophobicContact CD1-CG 3.99Å; F331-F367 HydrophobicContact CD1-CZ 4.08Å; F331-F367 HydrophobicContact CE1-CB 4.44Å; F331-F367 AromaticContact CE1-CD1 3.83Å; F331-F367 HydrophobicContact CE1-CD1 3.83Å; F331-F367 AromaticContact CE1-CD2 3.98Å; F331-F367 HydrophobicContact CE1-CD2 3.98Å; F331-F367 AromaticContact CE1-CE1 3.99Å; F331-F367 HydrophobicContact CE1-CE1 3.99Å; F331-F367 HydrophobicContact CE1-CE2 4.14Å; F331-F367 AromaticContact CE1-CG 3.82Å; F331-F367 HydrophobicContact CE1-CG 3.82Å; F331-F367 HydrophobicContact CE1-CZ 4.14Å; F331-F367 HydrophobicContact CG-CD1 4.46Å; F331-F367 HydrophobicContact CG-CE1 4.13Å; I339-F367 HydrophobicContact CD1-CE2 4.29Å; L356-F367 HydrophobicContact CD2-CD2 3.87Å; M358-F367 WeakPolarHBondContact O-CA 3.35Å; M358-F367 VanDerWaalsContact O-CB 3.3Å; M358-F367 WeakPolarHBondContact O-CB 3.13Å; F367-I409 HydrophobicContact CE2-CD1 3.69Å; F367-I409 HydrophobicContact CZ-CD1 3.8Å
368G91.2Very high85.3Confident0 Ų050.8 Ų50.80%028%0.284CS..EExtended strand (participates in β ladder)trans-147.8156-174.200000113.7I324 T357 M358I324-G368 CarbonylContact O-C 3.58Å; I324-G368 WeakPolarHBondContact O-CA 3.49Å; T357-G368 PolarHBondContact N-O 3.27Å; T357-G368 PolarHBondContact OG1-O 3.5Å; T357-G368 VanDerWaalsContact OG1-O 3.04Å; M358-G368 PolarHBondContact N-O 2.78Å; M358-G368 PolarHBondContact O-N 3.35Å; M358-G368 VanDerWaalsContact O-N 3.11Å
369V93.1Very high85.3Confident0 Ų053.4 Ų53.40%030%0.296CS..EExtended strand (participates in β ladder)trans-127.4145.5174.5-62.50000109.4E323 I324 M326 I339 F354 L356E323-V369 WeakPolarHBondContact CA-O 3.25Å; I324-V369 HydrophobicContact CB-CG2 4.15Å; I324-V369 PolarHBondContact N-O 3.03Å; I324-V369 PolarHBondContact O-N 3.46Å; M326-V369 HydrophobicContact CE-CG1 4.19Å; M326-V369 HydrophobicContact CE-CG2 3.76Å; I339-V369 HydrophobicContact CD1-CG1 3.76Å; I339-V369 HydrophobicContact CG1-CG1 4.02Å; F354-V369 HydrophobicContact CB-CB 4.23Å; F354-V369 HydrophobicContact CB-CG1 4.15Å; L356-V369 HydrophobicContact CD2-CG1 4.13Å
370H90.5Very high85.2Confident18 Ų1859.9 Ų59.98%0.08332%0.318CS..EExtended strand (participates in β ladder)trans-112128167.1-69.362.7000107.9H317 V321 M322 E323 T357 T436 W471H317-H370 AromaticContact NE2-NE2 3.88Å; V321-H370 HydrophobicContact CG1-CB 4.3Å; M322-H370 WeakPolarHBondContact O-CA 3.49Å; E323-H370 VanDerWaalsContact CG-CE1 3.48Å; E323-H370 WeakPolarHBondContact CG-CE1 3.33Å; E323-H370 IonicContact OE1-CE1 3.23Å; E323-H370 IonicContact OE2-CE1 3.85Å; E323-H370 IonicContact OE2-NE2 2.69Å; T357-H370 VanDerWaalsContact CB-ND1 3.35Å; T357-H370 WeakPolarHBondContact CB-ND1 3.42Å; T357-H370 HydrophobicContact CG2-CB 3.86Å; T357-H370 VanDerWaalsContact CG2-ND1 3.31Å; T357-H370 WeakPolarHBondContact CG2-ND1 3.43Å; T357-H370 PolarHBondContact OG1-CE1 3.49Å; T357-H370 PolarHBondContact OG1-ND1 3.16Å; H370-T436 HydrophobicContact CB-CG2 3.78Å; H370-W471 HydrophobicContact CB-CH2 4.38Å; H370-W471 HydrophobicContact CB-CZ3 4.46Å; H370-W471 AromaticContact CD2-CE3 3.42Å; H370-W471 VanDerWaalsContact CD2-CE3 3.42Å; H370-W471 AromaticContact CD2-CH2 3.93Å; H370-W471 AromaticContact CD2-CZ3 3.25Å; H370-W471 WeakPolarHBondContact CD2-CZ3 3.42Å; H370-W471 AromaticContact CG-CZ3 3.81Å; H370-W471 AromaticContact NE2-CE3 3.52Å; H370-W471 AromaticContact NE2-CZ3 3.49Å; H370-W471 WeakPolarHBondContact NE2-CZ3 3.32Å
371L89Confident85.4Confident2 Ų258.9 Ų58.91%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-124.9138.717766.698.5000109.5V321 M322 I324 F354 I373 T378 F381V321-L371 WeakPolarHBondContact CA-O 3.03Å; M322-L371 HydrophobicContact CB-CD1 4.47Å; M322-L371 HydrophobicContact CB-CG 4.42Å; M322-L371 HydrophobicContact CE-CD1 3.88Å; M322-L371 HydrophobicContact CE-CD2 4.05Å; M322-L371 HydrophobicContact CE-CG 4.21Å; M322-L371 PolarHBondContact N-O 3.26Å; M322-L371 PolarHBondContact O-N 3.34Å; I324-L371 HydrophobicContact CD1-CD2 3.81Å; F354-L371 HydrophobicContact CD1-CB 3.77Å; F354-L371 HydrophobicContact CE1-CB 3.53Å; F354-L371 HydrophobicContact CE1-CD2 4.48Å; F354-L371 HydrophobicContact CZ-CB 4.2Å; F354-L371 HydrophobicContact CZ-CD2 4.38Å; L371-I373 HydrophobicContact CD1-CG1 4.37Å; L371-T378 HydrophobicContact CD1-CG2 4.31Å; L371-F381 HydrophobicContact CD2-CD1 4.02Å; L371-F381 HydrophobicContact CD2-CE1 3.76Å
372K88.4Confident85.8Confident84 Ų8459.6 Ų59.637%0.36531%0.308SS..EExtended strand (participates in β ladder)trans-88.4136.9170.1-168.6179.8178.3172.80108.2D320 V321 V374 I433D320-K372 CarbonylContact O-C 3.47Å; D320-K372 WeakPolarHBondContact O-CA 3.43Å; V321-K372 HydrophobicContact CG2-CB 4.43Å; V321-K372 HydrophobicContact CG2-CG 4.3Å; K372-V374 HydrophobicContact CB-CG2 4.1Å; K372-V374 HydrophobicContact CD-CG2 3.72Å; K372-V374 HydrophobicContact CG-CG2 3.67Å; K372-V374 PolarHBondContact O-N 2.65Å; K372-V374 VanDerWaalsContact O-N 3.14Å; K372-I433 HydrophobicContact CB-CB 4.09Å; K372-I433 HydrophobicContact CB-CD1 4.03Å; K372-I433 HydrophobicContact CB-CG1 3.75Å; K372-I433 HydrophobicContact CB-CG2 4.35Å; K372-I433 HydrophobicContact CD-CB 4.28Å; K372-I433 HydrophobicContact CD-CG2 4.45Å
373I87.1Confident86.4Confident14 Ų1453.7 Ų53.77%0.07228%0.283CS..  trans-79.6100.3178.6-55.6153.3000106.6D320 L371 E379 R382D320-I373 HydrophobicContact CB-CB 4.2Å; D320-I373 HydrophobicContact CB-CD1 4.35Å; D320-I373 PolarHBondContact O-N 3.09Å; L371-I373 HydrophobicContact CD1-CG1 4.37Å; I373-E379 HydrophobicContact CG2-CB 4.35Å; I373-E379 HydrophobicContact CG2-CG 3.59Å; I373-R382 HydrophobicContact CD1-CB 3.91Å; I373-R382 HydrophobicContact CD1-CG 3.69Å; I373-R382 HydrophobicContact CG1-CB 4.17Å; I373-R382 HydrophobicContact CG1-CG 4.49Å
374V80.7Confident87Confident102 Ų10250.7 Ų50.762%0.61826%0.262SS*.  trans-143.698.7-178.8-174.30000107.1K372 T378K372-V374 HydrophobicContact CB-CG2 4.1Å; K372-V374 HydrophobicContact CD-CG2 3.72Å; K372-V374 HydrophobicContact CG-CG2 3.67Å; K372-V374 PolarHBondContact O-N 2.65Å; K372-V374 VanDerWaalsContact O-N 3.14Å; V374-T378 PolarHBondContact N-OG1 3.46Å; V374-T378 PolarHBondContact O-OG1 3.29Å
375G80.9Confident87.3Confident32 Ų3245.3 Ų45.333%0.3324%0.239SC..SBendtrans107.9167.3178.100000113.9W377 T378 E379G375-W377 PolarHBondContact O-N 3.48Å; G375-T378 PolarHBondContact O-N 3.5Å; G375-T378 PolarHBondContact O-OG1 3.09Å; G375-E379 WeakPolarHBondContact O-CG 3.49Å; G375-E379 PolarHBondContact O-N 3.05Å
376D81.6Confident87.2Confident99 Ų9944.1 Ų44.153%0.52922%0.223SC..Hα-helixtrans-55.5-46.9-172.759.4-20.4000113.9E379 R380D376-E379 PolarHBondContact O-N 2.91Å; D376-R380 WeakPolarHBondContact O-CB 3.29Å; D376-R380 VanDerWaalsContact O-CG 3.32Å; D376-R380 WeakPolarHBondContact O-CG 3.29Å; D376-R380 PolarHBondContact O-N 3.06Å
377W85.3Confident86.5Confident7 Ų746.1 Ų46.13%0.02724%0.237CC..Hα-helixtrans-64.1-45.4179.8-175.492.6000111.5L341 C343 V346 H352 F354 G375 E379 R380 F381L341-W377 HydrophobicContact CD2-CH2 3.55Å; L341-W377 HydrophobicContact CD2-CZ2 3.8Å; C343-W377 HydrophobicContact CB-CZ2 4.26Å; V346-W377 VanDerWaalsContact CG1-CD1 3.45Å; V346-W377 HydrophobicContact CG1-CD2 4.35Å; V346-W377 HydrophobicContact CG1-CG 4Å; H352-W377 HydrophobicContact CB-CZ3 4.44Å; H352-W377 AromaticContact CD2-CD1 3.69Å; H352-W377 AromaticContact CD2-CD2 3.24Å; H352-W377 AromaticContact CD2-CE2 3.32Å; H352-W377 AromaticContact CD2-CE3 3.73Å; H352-W377 AromaticContact CD2-CG 3.53Å; H352-W377 AromaticContact CD2-CZ2 3.89Å; H352-W377 AromaticContact CD2-NE1 3.53Å; H352-W377 AromaticContact NE2-CD1 3.35Å; H352-W377 VanDerWaalsContact NE2-CD1 3.35Å; H352-W377 AromaticContact NE2-CD2 3.44Å; H352-W377 AromaticContact NE2-CE2 3.83Å; H352-W377 AromaticContact NE2-CG 3.15Å; H352-W377 AromaticContact NE2-NE1 3.71Å; F354-W377 HydrophobicContact CE2-CH2 4.1Å; F354-W377 AromaticContact CE2-CZ3 3.89Å; F354-W377 HydrophobicContact CE2-CZ3 3.89Å; F354-W377 HydrophobicContact CZ-CE3 4.49Å; F354-W377 HydrophobicContact CZ-CH2 4.42Å; F354-W377 AromaticContact CZ-CZ3 3.75Å; F354-W377 HydrophobicContact CZ-CZ3 3.75Å; G375-W377 PolarHBondContact O-N 3.48Å; W377-E379 VanDerWaalsContact C-N 3.34Å; W377-E379 PolarHBondContact O-N 2.89Å; W377-R380 PolarHBondContact O-N 2.77Å; W377-F381 HydrophobicContact CE3-CB 4.22Å; W377-F381 HydrophobicContact CH2-CB 4.08Å; W377-F381 AromaticContact CH2-CD1 3.62Å; W377-F381 HydrophobicContact CH2-CD1 3.62Å; W377-F381 HydrophobicContact CH2-CD2 4.04Å; W377-F381 AromaticContact CH2-CE1 3.94Å; W377-F381 HydrophobicContact CH2-CE1 3.94Å; W377-F381 HydrophobicContact CH2-CE2 4.35Å; W377-F381 AromaticContact CH2-CG 3.66Å; W377-F381 HydrophobicContact CH2-CG 3.66Å; W377-F381 HydrophobicContact CH2-CZ 4.3Å; W377-F381 HydrophobicContact CZ2-CB 4.46Å; W377-F381 HydrophobicContact CZ2-CD2 4.28Å; W377-F381 HydrophobicContact CZ2-CG 4.22Å; W377-F381 HydrophobicContact CZ3-CB 3.97Å; W377-F381 AromaticContact CZ3-CD1 3.71Å; W377-F381 HydrophobicContact CZ3-CD1 3.71Å; W377-F381 HydrophobicContact CZ3-CE1 4.33Å; W377-F381 AromaticContact CZ3-CG 3.91Å; W377-F381 HydrophobicContact CZ3-CG 3.91Å; W377-F381 VanDerWaalsContact O-CB 3.22Å; W377-F381 WeakPolarHBondContact O-CB 3.29Å; W377-F381 PolarHBondContact O-N 3.49Å
378T87.5Confident85.1Confident12 Ų1251.4 Ų51.47%0.07427%0.271CS..Hα-helixtrans-70.8-30.3-17856.70000113L371 V374 G375 R382L371-T378 HydrophobicContact CD1-CG2 4.31Å; V374-T378 PolarHBondContact N-OG1 3.46Å; V374-T378 PolarHBondContact O-OG1 3.29Å; G375-T378 PolarHBondContact O-N 3.5Å; G375-T378 PolarHBondContact O-OG1 3.09Å; T378-R382 WeakPolarHBondContact O-CB 3.5Å; T378-R382 PolarHBondContact O-N 3.27Å
379E87.3Confident83.4Confident97 Ų9756.6 Ų56.645%0.45331%0.308SS..Hα-helixtrans-67.1-52.9173.9-75.5169.6-168.200110.4I373 G375 D376 W377 F381 R382 D383I373-E379 HydrophobicContact CG2-CB 4.35Å; I373-E379 HydrophobicContact CG2-CG 3.59Å; G375-E379 WeakPolarHBondContact O-CG 3.49Å; G375-E379 PolarHBondContact O-N 3.05Å; D376-E379 PolarHBondContact O-N 2.91Å; W377-E379 VanDerWaalsContact C-N 3.34Å; W377-E379 PolarHBondContact O-N 2.89Å; E379-F381 VanDerWaalsContact C-N 3.25Å; E379-F381 PolarHBondContact O-N 3.1Å; E379-R382 WeakPolarHBondContact O-CB 3.3Å; E379-R382 PolarHBondContact O-N 2.95Å; E379-D383 PolarHBondContact O-N 3.22Å
380R86.6Confident81.1Confident154 Ų15460.6 Ų60.658%0.58134%0.336SS*.Hα-helixtrans-58.3-38.6175.1-69.5176.6-176.5-1764.5112.3V346 D376 W377 D383 L384V346-R380 HydrophobicContact CG1-CB 3.75Å; D376-R380 WeakPolarHBondContact O-CB 3.29Å; D376-R380 VanDerWaalsContact O-CG 3.32Å; D376-R380 WeakPolarHBondContact O-CG 3.29Å; D376-R380 PolarHBondContact O-N 3.06Å; W377-R380 PolarHBondContact O-N 2.77Å; R380-D383 PolarHBondContact O-N 3.25Å; R380-L384 VanDerWaalsContact O-CB 3.29Å; R380-L384 WeakPolarHBondContact O-CB 3.44Å; R380-L384 PolarHBondContact O-N 3.38Å
381F89.1Confident79Confident0 Ų068.9 Ų68.90%037%0.374CS..Hα-helixtrans-67.2-37.8176.7-171.9-125.4000112.5M322 I324 L341 C343 V346 L371 W377 E379 L385 L407M322-F381 HydrophobicContact CE-CD1 3.83Å; M322-F381 HydrophobicContact CE-CE1 4.13Å; I324-F381 HydrophobicContact CD1-CD1 4.42Å; I324-F381 HydrophobicContact CD1-CE1 3.33Å; I324-F381 HydrophobicContact CD1-CZ 3.67Å; L341-F381 HydrophobicContact CD1-CE1 4.36Å; L341-F381 HydrophobicContact CD1-CZ 4.15Å; L341-F381 HydrophobicContact CD2-CE1 4.47Å; L341-F381 HydrophobicContact CD2-CE2 4.35Å; L341-F381 HydrophobicContact CD2-CZ 3.99Å; C343-F381 HydrophobicContact CB-CD2 4.18Å; C343-F381 HydrophobicContact CB-CE2 3.95Å; V346-F381 HydrophobicContact CG2-CB 4.03Å; V346-F381 HydrophobicContact CG2-CD2 3.83Å; V346-F381 HydrophobicContact CG2-CG 4.42Å; L371-F381 HydrophobicContact CD2-CD1 4.02Å; L371-F381 HydrophobicContact CD2-CE1 3.76Å; W377-F381 HydrophobicContact CE3-CB 4.22Å; W377-F381 HydrophobicContact CH2-CB 4.08Å; W377-F381 AromaticContact CH2-CD1 3.62Å; W377-F381 HydrophobicContact CH2-CD1 3.62Å; W377-F381 HydrophobicContact CH2-CD2 4.04Å; W377-F381 AromaticContact CH2-CE1 3.94Å; W377-F381 HydrophobicContact CH2-CE1 3.94Å; W377-F381 HydrophobicContact CH2-CE2 4.35Å; W377-F381 AromaticContact CH2-CG 3.66Å; W377-F381 HydrophobicContact CH2-CG 3.66Å; W377-F381 HydrophobicContact CH2-CZ 4.3Å; W377-F381 HydrophobicContact CZ2-CB 4.46Å; W377-F381 HydrophobicContact CZ2-CD2 4.28Å; W377-F381 HydrophobicContact CZ2-CG 4.22Å; W377-F381 HydrophobicContact CZ3-CB 3.97Å; W377-F381 AromaticContact CZ3-CD1 3.71Å; W377-F381 HydrophobicContact CZ3-CD1 3.71Å; W377-F381 HydrophobicContact CZ3-CE1 4.33Å; W377-F381 AromaticContact CZ3-CG 3.91Å; W377-F381 HydrophobicContact CZ3-CG 3.91Å; W377-F381 VanDerWaalsContact O-CB 3.22Å; W377-F381 WeakPolarHBondContact O-CB 3.29Å; W377-F381 PolarHBondContact O-N 3.49Å; E379-F381 VanDerWaalsContact C-N 3.25Å; E379-F381 PolarHBondContact O-N 3.1Å; F381-L385 HydrophobicContact CD1-CD1 4.17Å; F381-L385 HydrophobicContact CD2-CD1 4.25Å; F381-L385 HydrophobicContact CD2-CG 4.45Å; F381-L385 HydrophobicContact CE1-CD1 3.74Å; F381-L385 HydrophobicContact CE2-CD1 3.81Å; F381-L385 HydrophobicContact CE2-CG 4.22Å; F381-L385 HydrophobicContact CG-CD1 4.43Å; F381-L385 HydrophobicContact CZ-CD1 3.53Å; F381-L385 HydrophobicContact CZ-CG 4.42Å; F381-L385 WeakPolarHBondContact O-CG 3.18Å; F381-L385 PolarHBondContact O-N 3.16Å; F381-L407 HydrophobicContact CE2-CD1 4.02Å; F381-L407 HydrophobicContact CZ-CD1 4.07Å
382R89.5Confident76.7Confident72 Ų7276 Ų7627%0.27241%0.413SS..Hα-helixtrans-63.6-51.1172171.5-114.6-71.4-105.4-10.2110.7D320 M322 I373 T378 E379 L384 L385 L386D320-R382 IonicContact OD1-CZ 3.68Å; D320-R382 IonicContact OD1-NH1 3.32Å; D320-R382 IonicContact OD1-NH2 3.68Å; D320-R382 PolarHBondContact OD1-NH2 3.01Å; D320-R382 VanDerWaalsContact OD1-NH2 3.1Å; M322-R382 HydrophobicContact CE-CB 4.38Å; I373-R382 HydrophobicContact CD1-CB 3.91Å; I373-R382 HydrophobicContact CD1-CG 3.69Å; I373-R382 HydrophobicContact CG1-CB 4.17Å; I373-R382 HydrophobicContact CG1-CG 4.49Å; T378-R382 WeakPolarHBondContact O-CB 3.5Å; T378-R382 PolarHBondContact O-N 3.27Å; E379-R382 WeakPolarHBondContact O-CB 3.3Å; E379-R382 PolarHBondContact O-N 2.95Å; R382-L384 PolarHBondContact O-N 2.93Å; R382-L385 PolarHBondContact O-N 3.37Å; R382-L385 VanDerWaalsContact O-N 3.1Å; R382-L386 WeakPolarHBondContact O-CA 3.5Å; R382-L386 PolarHBondContact O-N 3.27Å
383D87.4Confident74.5Confident86 Ų8676.7 Ų76.746%0.4643%0.428SS..Hα-helixtrans-60.3-33.2-177.3-63.4-22.3000112E379 R380 L386 P387E379-D383 PolarHBondContact O-N 3.22Å; R380-D383 PolarHBondContact O-N 3.25Å; D383-L386 CarbonylContact O-C 3.59Å; D383-P387 VanDerWaalsContact O-CA 3.27Å; D383-P387 WeakPolarHBondContact O-CA 3.21Å
384L86.2Confident72.6Confident64 Ų6484.3 Ų84.334%0.33546%0.463SS..Hα-helixtrans-73.9-35.9177.7-170.1149.1000113V346 R380 R382 P405V346-L384 HydrophobicContact CG2-CD1 4.22Å; R380-L384 VanDerWaalsContact O-CB 3.29Å; R380-L384 WeakPolarHBondContact O-CB 3.44Å; R380-L384 PolarHBondContact O-N 3.38Å; R382-L384 PolarHBondContact O-N 2.93Å; L384-P405 HydrophobicContact CD2-CB 3.68Å; L384-P405 HydrophobicContact CD2-CG 3.25Å
385L85.7Confident71.1Confident3 Ų386.5 Ų86.52%0.01647%0.47CS..Hα-helixtrans-87.2-28.4179.8-68-179.2000113.5I311 V314 M322 I324 F381 R382 Y404 P405I311-L385 HydrophobicContact CD1-CD2 4.03Å; V314-L385 HydrophobicContact CG1-CB 4.22Å; V314-L385 HydrophobicContact CG1-CD1 4.48Å; V314-L385 HydrophobicContact CG2-CB 4.4Å; V314-L385 HydrophobicContact CG2-CD1 4.31Å; V314-L385 HydrophobicContact CG2-CD2 4.49Å; M322-L385 HydrophobicContact CE-CD1 3.91Å; M322-L385 HydrophobicContact SD-CB 4.28Å; M322-L385 HydrophobicContact SD-CD1 4.04Å; I324-L385 HydrophobicContact CD1-CD1 3.61Å; I324-L385 HydrophobicContact CG1-CD1 4.28Å; F381-L385 HydrophobicContact CD1-CD1 4.17Å; F381-L385 HydrophobicContact CD2-CD1 4.25Å; F381-L385 HydrophobicContact CD2-CG 4.45Å; F381-L385 HydrophobicContact CE1-CD1 3.74Å; F381-L385 HydrophobicContact CE2-CD1 3.81Å; F381-L385 HydrophobicContact CE2-CG 4.22Å; F381-L385 HydrophobicContact CG-CD1 4.43Å; F381-L385 HydrophobicContact CZ-CD1 3.53Å; F381-L385 HydrophobicContact CZ-CG 4.42Å; F381-L385 WeakPolarHBondContact O-CG 3.18Å; F381-L385 PolarHBondContact O-N 3.16Å; R382-L385 PolarHBondContact O-N 3.37Å; R382-L385 VanDerWaalsContact O-N 3.1Å; L385-Y404 HydrophobicContact CD2-CD1 3.94Å; L385-P405 HydrophobicContact CD2-CG 3.94Å
386L83.3Confident69Low38 Ų3893 Ų9320%0.19950%0.496CS..SBendtrans-133.570.5-177.8-63.9174.1000108.6V314 M322 R382 D383V314-L386 HydrophobicContact CB-CD2 4.46Å; V314-L386 HydrophobicContact CG1-CD1 4.12Å; V314-L386 HydrophobicContact CG1-CD2 4.04Å; V314-L386 HydrophobicContact CG1-CG 3.94Å; M322-L386 HydrophobicContact CG-CD1 4.49Å; M322-L386 HydrophobicContact SD-CD1 3.99Å; M322-L386 HydrophobicContact SD-CG 4.43Å; R382-L386 WeakPolarHBondContact O-CA 3.5Å; R382-L386 PolarHBondContact O-N 3.27Å; D383-L386 CarbonylContact O-C 3.59Å
387P73.4Confident67.5Low84 Ų8493.6 Ų93.655%0.54551%0.505SS..  trans-57.7138.8176.122.4-31.6000109.6D383 S389D383-P387 VanDerWaalsContact O-CA 3.27Å; D383-P387 WeakPolarHBondContact O-CA 3.21Å; P387-S389 PolarHBondContact O-N 3.31Å
388P62.8Low65.3Low112 Ų112102.1 Ų102.173%0.72754%0.543SS*.  trans-56.8130.1176.421.6-29.8000108.5S390P388-S390 PolarHBondContact O-N 3.14Å
389S56.6Low63Low109 Ų109108.1 Ų108.176%0.76257%0.573SS**  trans-56.9110.5172.548.40000107.9P387 Q391P387-S389 PolarHBondContact O-N 3.31Å; S389-Q391 PolarHBondContact O-N 3.48Å
390S45.3Very low60.9Low84 Ų84112.2 Ų112.259%0.58759%0.592SS**  trans-54127.5167.245.40000107.7P388 D392P388-S390 PolarHBondContact O-N 3.14Å; S390-D392 PolarHBondContact O-N 2.95Å
391Q44.6Very low59.2Low192 Ų192109.5 Ų109.590%0.89760%0.597SS**THydrogen-bonded Turntrans-62.81.8-178-78.7-179.4-27.200114.2S389S389-Q391 PolarHBondContact O-N 3.48Å
392D42.1Very low57.9Low152 Ų152116.2 Ų116.281%0.81362%0.622SS**THydrogen-bonded Turntrans-104.930.3-177.2-62.2-30.1000114.1S390S390-D392 PolarHBondContact O-N 2.95Å
393S41.6Very low57.1Low98 Ų98120.3 Ų120.369%0.68565%0.649SS**  trans-134.165.9175.1-58.20000111.1I395S393-I395 PolarHBondContact O-N 3.37Å
394E46.7Very low56.9Low174 Ų174119.4 Ų119.481%0.81364%0.64SS**  trans-59.2123.9157.9-76.9-166.5160.400109.6
395I48.9Very low56.8Low147 Ų147117.5 Ų117.575%0.75463%0.631SS**  trans67.785.9155.6-46.7159.6000115.5S393S393-I395 PolarHBondContact O-N 3.37Å
396L37.7Very low56.9Low168 Ų168124 Ų12488%0.8866%0.66SS**  trans-154.8118133.7-95.1-179.2000110.1
397P50.5Low57.2Low112 Ų112122.2 Ų122.273%0.72765%0.65SS**  trans-96.389.3176.134.8-25.8000109.8
398F37.8Very low58.1Low186 Ų186120.6 Ų120.682%0.81663%0.634SS**SBendtrans-174.8121.2155.8-130.1-116.2000112Q400F398-Q400 PolarHBondContact O-N 3.38Å
399I40.4Very low59.4Low138 Ų138115.3 Ų115.371%0.70860%0.599SS**  trans40.370.5153.9-42.1176000116S401I399-S401 PolarHBondContact O-N 3Å
400Q43.5Very low60.9Low184 Ų184110.9 Ų110.986%0.8657%0.567SS**  trans-71.2112.7146.8-108176.4-6.300106.8F398 R402F398-Q400 PolarHBondContact O-N 3.38Å; Q400-R402 VanDerWaalsContact C-N 3.26Å; Q400-R402 PolarHBondContact O-N 2.92Å
401S49.4Very low62.9Low96 Ų96107.1 Ų107.167%0.67154%0.542SS*.  trans-61.394.7169.264.80000107.4I399 N403I399-S401 PolarHBondContact O-N 3Å; S401-N403 PolarHBondContact O-N 3.48Å
402R63Low65Low142 Ų14299.3 Ų99.354%0.53651%0.507SS..  trans-61.6109.4176.7-74.5-176.4177.3177.3-1.7107.5Q400 Y404Q400-R402 VanDerWaalsContact C-N 3.26Å; Q400-R402 PolarHBondContact O-N 2.92Å; R402-Y404 HydrophobicContact CB-CE1 4.2Å; R402-Y404 HydrophobicContact CB-CE2 4.2Å; R402-Y404 PolarHBondContact O-N 2.91Å
403N71.3Confident67.1Low157 Ų15792.2 Ų92.284%0.8447%0.469SS*.  trans-75.394.7171-82.2-10.3000107.9S401S401-N403 PolarHBondContact O-N 3.48Å
404Y83.4Confident69Low67 Ų6788.2 Ų88.226%0.26344%0.443SS..PPolyproline II helixtrans-68.1148.1173.9-65.6-64.5000110.9I311 V314 L385 R402I311-Y404 HydrophobicContact CB-CD1 4.5Å; I311-Y404 HydrophobicContact CB-CD2 3.78Å; I311-Y404 HydrophobicContact CB-CE2 4.39Å; I311-Y404 HydrophobicContact CB-CG 3.84Å; I311-Y404 HydrophobicContact CD1-CD1 4.45Å; I311-Y404 HydrophobicContact CD1-CG 4.18Å; I311-Y404 HydrophobicContact CG2-CD1 4.05Å; I311-Y404 HydrophobicContact CG2-CD2 3.71Å; I311-Y404 HydrophobicContact CG2-CE1 4.19Å; I311-Y404 HydrophobicContact CG2-CE2 3.85Å; I311-Y404 HydrophobicContact CG2-CG 3.82Å; V314-Y404 HydrophobicContact CB-CE1 4.47Å; V314-Y404 HydrophobicContact CG2-CD1 4.33Å; V314-Y404 HydrophobicContact CG2-CE1 3.67Å; L385-Y404 HydrophobicContact CD2-CD1 3.94Å; R402-Y404 HydrophobicContact CB-CE1 4.2Å; R402-Y404 HydrophobicContact CB-CE2 4.2Å; R402-Y404 PolarHBondContact O-N 2.91Å
405P85.6Confident70.7Confident24 Ų2480 Ų8016%0.15641%0.406CS..PPolyproline II helixtrans-62.5162.117633.2-43.7000111.9L384 L385 L407L384-P405 HydrophobicContact CD2-CB 3.68Å; L384-P405 HydrophobicContact CD2-CG 3.25Å; L385-P405 HydrophobicContact CD2-CG 3.94Å; P405-L407 PolarHBondContact O-N 3.3Å
406K87.4Confident72.3Confident141 Ų14174 Ų7461%0.61338%0.376SS*.PPolyproline II helixtrans-65.8122.2167.6-66.5-178.8-178176.30109.4Y408K406-Y408 HydrophobicContact CB-CE2 4.07Å
407L90Very high74.7Confident0 Ų066 Ų660%033%0.334CS..EExtended strand (participates in β ladder)trans-115.3131.8177.9-164.869.6000109.8P308 V309 I311 M326 L341 C343 F381 P405P308-L407 CarbonylContact C-O 3.58Å; P308-L407 WeakPolarHBondContact CA-O 3.41Å; V309-L407 PolarHBondContact N-O 3.46Å; I311-L407 HydrophobicContact CD1-CB 4.35Å; I311-L407 HydrophobicContact CD1-CD2 4.2Å; I311-L407 HydrophobicContact CG1-CD2 4.24Å; M326-L407 HydrophobicContact SD-CD2 3.41Å; M326-L407 WeakPolarHBondContact SD-CD2 3.34Å; L341-L407 HydrophobicContact CD1-CD1 4.2Å; L341-L407 HydrophobicContact CD1-CD2 4.01Å; L341-L407 HydrophobicContact CD1-CG 4.49Å; L341-L407 HydrophobicContact CD2-CD1 3.38Å; L341-L407 HydrophobicContact CD2-CG 4.32Å; L341-L407 HydrophobicContact CG-CD1 3.73Å; L341-L407 HydrophobicContact CG-CD2 4.18Å; L341-L407 HydrophobicContact CG-CG 4.14Å; C343-L407 HydrophobicContact CB-CD1 3.84Å; F381-L407 HydrophobicContact CE2-CD1 4.02Å; F381-L407 HydrophobicContact CZ-CD1 4.07Å; P405-L407 PolarHBondContact O-N 3.3Å
408Y91.3Very high76.3Confident50 Ų5062.2 Ų62.220%0.19631%0.306CS..EExtended strand (participates in β ladder)trans-113.2141.6176.8-61.5-88.3000109.9S305 N306 P308 H342 P344 K406S305-Y408 WeakPolarHBondContact O-CD1 3.49Å; N306-Y408 WeakPolarHBondContact O-CE1 3.42Å; P308-Y408 HydrophobicContact CB-CE1 4.13Å; H342-Y408 PolarHBondContact N-O 3.16Å; H342-Y408 AromaticContact ND1-CD2 3.94Å; H342-Y408 PolarHBondContact O-N 2.96Å; P344-Y408 HydrophobicContact CG-CD2 3.91Å; P344-Y408 HydrophobicContact CG-CE2 3.8Å; K406-Y408 HydrophobicContact CB-CE2 4.07Å
409I90.4Very high78.5Confident1 Ų153.7 Ų53.71%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-130.3126.3-177.3-61.3-179.7000109.8V309 M326 K328 I339 I340 F367V309-I409 HydrophobicContact CB-CD1 4.01Å; V309-I409 HydrophobicContact CB-CG1 4.33Å; V309-I409 HydrophobicContact CG1-CD1 3.82Å; V309-I409 HydrophobicContact CG2-CB 3.92Å; V309-I409 HydrophobicContact CG2-CD1 3.64Å; V309-I409 HydrophobicContact CG2-CG1 3.67Å; M326-I409 HydrophobicContact CE-CD1 4.17Å; M326-I409 HydrophobicContact SD-CD1 3.56Å; M326-I409 VanDerWaalsContact SD-CD1 3.56Å; K328-I409 PolarHBondContact NZ-O 3.29Å; K328-I409 VanDerWaalsContact NZ-O 3.09Å; I339-I409 HydrophobicContact CB-CG2 3.75Å; I339-I409 HydrophobicContact CD1-CD1 3.84Å; I339-I409 HydrophobicContact CD1-CG1 4.33Å; I339-I409 HydrophobicContact CD1-CG2 3.75Å; I339-I409 HydrophobicContact CG1-CG2 4.34Å; I339-I409 HydrophobicContact CG2-CG2 3.97Å; I340-I409 WeakPolarHBondContact O-CA 3.38Å; F367-I409 HydrophobicContact CE2-CD1 3.69Å; F367-I409 HydrophobicContact CZ-CD1 3.8Å
410D88.6Confident80.7Confident15 Ų1547.2 Ų47.28%0.0824%0.236CC..EExtended strand (participates in β ladder)trans-106.1126.7168.2-175.522.4000109.8R301 R304 I340 F413R301-D410 WeakPolarHBondContact CD-OD2 3.37Å; R304-D410 IonicContact CZ-OD1 3.37Å; R304-D410 IonicContact NE-OD1 2.69Å; R304-D410 IonicContact NH2-OD1 3.02Å; R304-D410 PolarHBondContact NH2-OD1 3.49Å; I340-D410 HydrophobicContact CB-CB 4.28Å; I340-D410 PolarHBondContact N-O 2.96Å; I340-D410 PolarHBondContact O-N 2.87Å; D410-F413 HydrophobicContact CB-CE2 4.44Å; D410-F413 VanDerWaalsContact O-CE2 3.31Å; D410-F413 WeakPolarHBondContact O-CE2 3.28Å; D410-F413 WeakPolarHBondContact OD2-CZ 3.47Å
411G86.3Confident82.8Confident6 Ų638.7 Ų38.76%0.06220%0.197CC..EExtended strand (participates in β ladder)trans145.8-172.9-175.100000113R304R304-G411 PolarHBondContact NH1-O 3.35Å
412P88.3Confident84.7Confident27 Ų2737 Ų3718%0.17518%0.18CC..EExtended strand (participates in β ladder)cis-78.71574.635-39000113.3F331 K332 A333 Q337F331-P412 HydrophobicContact CZ-CB 4.29Å; K332-P412 VanDerWaalsContact O-CG 3.32Å; K332-P412 WeakPolarHBondContact O-CG 3.41Å; A333-P412 HydrophobicContact CB-CB 4.06Å; A333-P412 HydrophobicContact CB-CG 4.22Å; Q337-P412 HydrophobicContact CB-CB 4.21Å; Q337-P412 VanDerWaalsContact OE1-CB 3.27Å
413F85.9Confident85.9Confident3 Ų330.4 Ų30.41%0.01316%0.155CC..EExtended strand (participates in β ladder)trans-117.1139173.3-61.5-68.9000110.7R77 I78 Q337 Y338 I340 D410R77-F413 HydrophobicContact CB-CD1 3.92Å; R77-F413 HydrophobicContact CB-CE1 3.54Å; R77-F413 HydrophobicContact CB-CZ 4.3Å; I78-F413 HydrophobicContact CG1-CE1 4.33Å; Q337-F413 WeakPolarHBondContact CA-O 3.42Å; Q337-F413 VanDerWaalsContact CB-O 3.25Å; Q337-F413 WeakPolarHBondContact CB-O 3.15Å; Y338-F413 HydrophobicContact CD1-CB 4.09Å; Y338-F413 HydrophobicContact CD2-CB 4.3Å; Y338-F413 HydrophobicContact CD2-CD2 4.39Å; Y338-F413 HydrophobicContact CE1-CB 3.59Å; Y338-F413 HydrophobicContact CE2-CB 3.83Å; Y338-F413 AromaticContact CE2-CD2 3.91Å; Y338-F413 HydrophobicContact CE2-CD2 3.91Å; Y338-F413 HydrophobicContact CE2-CG 4.21Å; Y338-F413 HydrophobicContact CG-CB 4.41Å; Y338-F413 VanDerWaalsContact CZ-CB 3.44Å; Y338-F413 PolarHBondContact N-O 3Å; Y338-F413 PolarHBondContact O-N 3.18Å; I340-F413 HydrophobicContact CB-CE2 4.5Å; I340-F413 HydrophobicContact CD1-CD2 4.1Å; I340-F413 HydrophobicContact CD1-CE2 3.42Å; I340-F413 VanDerWaalsContact CD1-CE2 3.42Å; I340-F413 HydrophobicContact CD1-CZ 4.11Å; I340-F413 HydrophobicContact CG1-CD2 4.1Å; I340-F413 HydrophobicContact CG1-CE2 3.74Å; D410-F413 HydrophobicContact CB-CE2 4.44Å; D410-F413 VanDerWaalsContact O-CE2 3.31Å; D410-F413 WeakPolarHBondContact O-CE2 3.28Å; D410-F413 WeakPolarHBondContact OD2-CZ 3.47Å
414G81.4Confident86.9Confident14 Ų1427.1 Ų27.114%0.14414%0.135CC..  trans-69.9141178.200000112.3R84R84-G414 VanDerWaalsContact NH1-C 3.25Å; R84-G414 PolarHBondContact NH1-O 3.37Å
415S83.8Confident87.4Confident3 Ų324 Ų242%0.02112%0.123CC..  trans-126.6156.6170.21160000110.5R84 G336 F417 E418 E575R84-S415 VanDerWaalsContact CZ-O 3.29Å; R84-S415 PolarHBondContact NH1-O 2.93Å; R84-S415 VanDerWaalsContact NH2-C 3.31Å; R84-S415 PolarHBondContact NH2-O 3.5Å; G336-S415 WeakPolarHBondContact O-CB 3.33Å; G336-S415 PolarHBondContact O-OG 2.93Å; S415-F417 PolarHBondContact O-N 3.16Å; S415-F417 WeakPolarHBondContact OG-CB 3.36Å; S415-F417 PolarHBondContact OG-N 2.84Å; S415-E418 WeakPolarHBondContact O-CB 3.21Å; S415-E418 PolarHBondContact O-N 2.93Å; S415-E575 WeakPolarHBondContact CB-OE1 3.37Å; S415-E575 VanDerWaalsContact OG-CD 3.3Å; S415-E575 PolarHBondContact OG-OE1 2.61Å
416P83.1Confident87.8Confident19 Ų1922.9 Ų22.912%0.12312%0.116CC..G310 helixtrans-48.6-25179-24.630.2000114.3D99 E418 E419 F545 N573D99-P416 HydrophobicContact CB-CG 4.15Å; D99-P416 WeakPolarHBondContact OD2-CG 3.37Å; P416-E418 VanDerWaalsContact C-N 3.26Å; P416-E418 PolarHBondContact O-N 3.02Å; P416-E419 PolarHBondContact O-N 3.49Å; P416-F545 WeakPolarHBondContact O-CE1 3.45Å; P416-N573 HydrophobicContact CB-CB 4.06Å
417F86.4Confident88.2Confident0 Ų016.2 Ų16.20%09%0.086CC..G310 helixtrans-71.5-18.8-176.3-75.8-122000113.5S415 E419 S420 P437 F438 I441 F545 C547 E575S415-F417 PolarHBondContact O-N 3.16Å; S415-F417 WeakPolarHBondContact OG-CB 3.36Å; S415-F417 PolarHBondContact OG-N 2.84Å; F417-E419 PolarHBondContact O-N 3.21Å; F417-S420 WeakPolarHBondContact O-CB 3.4Å; F417-S420 PolarHBondContact O-N 3.35Å; F417-S420 PolarHBondContact O-OG 3.39Å; F417-P437 HydrophobicContact CD1-CB 3.51Å; F417-P437 HydrophobicContact CD1-CG 4.39Å; F417-P437 HydrophobicContact CE1-CB 3.83Å; F417-P437 HydrophobicContact CE1-CG 4.27Å; F417-P437 HydrophobicContact CG-CB 4.12Å; F417-F438 HydrophobicContact CD1-CD1 4.18Å; F417-F438 AromaticContact CD1-CE1 3.74Å; F417-F438 HydrophobicContact CD1-CE1 3.74Å; F417-F438 HydrophobicContact CD1-CZ 4.11Å; F417-F438 HydrophobicContact CE1-CD1 4.12Å; F417-F438 HydrophobicContact CE1-CD2 4.47Å; F417-F438 AromaticContact CE1-CE1 3.38Å; F417-F438 HydrophobicContact CE1-CE1 3.38Å; F417-F438 AromaticContact CE1-CE2 3.84Å; F417-F438 HydrophobicContact CE1-CE2 3.84Å; F417-F438 AromaticContact CE1-CZ 3.27Å; F417-F438 HydrophobicContact CE1-CZ 3.27Å; F417-F438 HydrophobicContact CZ-CE1 4.42Å; F417-F438 HydrophobicContact CZ-CZ 4.05Å; F417-I441 HydrophobicContact CB-CD1 4.32Å; F417-I441 HydrophobicContact CD1-CD1 4.26Å; F417-F545 HydrophobicContact CD1-CB 4.35Å; F417-F545 HydrophobicContact CD2-CD1 4.32Å; F417-F545 HydrophobicContact CE1-CB 4.03Å; F417-F545 HydrophobicContact CE2-CB 4.4Å; F417-F545 HydrophobicContact CE2-CD1 4.48Å; F417-F545 HydrophobicContact CG-CD1 4.38Å; F417-F545 HydrophobicContact CZ-CB 4.02Å; F417-C547 HydrophobicContact CE1-CB 4.11Å; F417-C547 HydrophobicContact CZ-CB 3.79Å; F417-E575 HydrophobicContact CD2-CB 3.59Å; F417-E575 HydrophobicContact CD2-CG 4.37Å; F417-E575 WeakPolarHBondContact CD2-OE2 3.45Å; F417-E575 HydrophobicContact CE2-CB 3.12Å; F417-E575 HydrophobicContact CE2-CG 4.27Å; F417-E575 WeakPolarHBondContact CG-OE2 3.31Å; F417-E575 HydrophobicContact CZ-CB 3.75Å
418E84.9Confident88.5Confident33 Ų3316.2 Ų16.215%0.1549%0.087CC..G310 helixtrans-58.4-26.7171.1-169.6-173.5177.200112.2R84 R334 P335 S415 P416 S420R84-E418 IonicContact CZ-OE2 2.81Å; R84-E418 VanDerWaalsContact CZ-OE2 3.23Å; R84-E418 IonicContact NE-OE2 2.85Å; R84-E418 PolarHBondContact NE-OE2 2.96Å; R84-E418 IonicContact NH2-OE2 2.67Å; R84-E418 PolarHBondContact NH2-OE2 3.49Å; R334-E418 IonicContact CZ-OE1 2.78Å; R334-E418 IonicContact NE-OE1 3.91Å; R334-E418 PolarHBondContact NE-OE1 3.19Å; R334-E418 IonicContact NH2-OE1 3.55Å; R334-E418 PolarHBondContact NH2-OE1 2.75Å; P335-E418 WeakPolarHBondContact O-CA 3.5Å; S415-E418 WeakPolarHBondContact O-CB 3.21Å; S415-E418 PolarHBondContact O-N 2.93Å; P416-E418 VanDerWaalsContact C-N 3.26Å; P416-E418 PolarHBondContact O-N 3.02Å; E418-S420 VanDerWaalsContact C-N 3.34Å
419E84.4Confident88.7Confident8 Ų813.9 Ų13.94%0.0378%0.077CC..G310 helixtrans-82.8-8.9177.4-61-159.9152.600113.6R95 P416 F417 L421 N422 Y423R95-E419 WeakPolarHBondContact CD-OE1 3.49Å; R95-E419 IonicContact NH1-OE1 3.66Å; P416-E419 PolarHBondContact O-N 3.49Å; F417-E419 PolarHBondContact O-N 3.21Å; E419-L421 PolarHBondContact O-N 3.23Å; E419-L421 VanDerWaalsContact O-N 3.16Å; E419-N422 WeakPolarHBondContact O-CA 3.4Å; E419-N422 WeakPolarHBondContact O-CB 3.42Å; E419-N422 PolarHBondContact O-N 3Å; E419-Y423 HydrophobicContact CB-CE2 4Å; E419-Y423 VanDerWaalsContact O-CD2 3.23Å; E419-Y423 WeakPolarHBondContact O-CD2 3.41Å
420S86.8Confident88.8Confident2 Ų213.8 Ų13.81%0.0148%0.077CC..G310 helixtrans-56.9-34.1-174.362.70000114.1F417 E418 N422 S426 I441 F545F417-S420 WeakPolarHBondContact O-CB 3.4Å; F417-S420 PolarHBondContact O-N 3.35Å; F417-S420 PolarHBondContact O-OG 3.39Å; E418-S420 VanDerWaalsContact C-N 3.34Å; S420-N422 VanDerWaalsContact C-N 3.33Å; S420-S426 PolarHBondContact O-OG 3.19Å; S420-I441 WeakPolarHBondContact OG-CD1 3.25Å; S420-F545 VanDerWaalsContact CA-CZ 3.42Å
421L87.8Confident88.9Confident5 Ų513.6 Ų13.63%0.0268%0.079CC..G310 helixtrans-81.1-12.9177.7-62.7176.1000113.3P335 E419 I441 T444 L445 Y452 K453 L454P335-L421 HydrophobicContact CB-CD1 4.49Å; P335-L421 HydrophobicContact CG-CD1 4.49Å; E419-L421 PolarHBondContact O-N 3.23Å; E419-L421 VanDerWaalsContact O-N 3.16Å; L421-I441 HydrophobicContact CD2-CG2 3.69Å; L421-I441 HydrophobicContact CG-CG2 4.14Å; L421-T444 HydrophobicContact CD1-CG2 4.08Å; L421-L445 HydrophobicContact CD2-CD1 4.2Å; L421-L445 HydrophobicContact CD2-CD2 3.71Å; L421-L445 HydrophobicContact CD2-CG 3.94Å; L421-Y452 HydrophobicContact CB-CD1 3.45Å; L421-Y452 VanDerWaalsContact CB-CD1 3.45Å; L421-Y452 HydrophobicContact CB-CE1 3.98Å; L421-Y452 HydrophobicContact CB-CG 3.8Å; L421-Y452 HydrophobicContact CD1-CD1 3.87Å; L421-Y452 HydrophobicContact CD1-CD2 4.18Å; L421-Y452 HydrophobicContact CD1-CE1 3.6Å; L421-Y452 HydrophobicContact CD1-CE2 3.95Å; L421-Y452 HydrophobicContact CD1-CG 4.14Å; L421-Y452 HydrophobicContact CG-CD1 4.24Å; L421-Y452 HydrophobicContact CG-CE1 4.43Å; L421-Y452 HydrophobicContact CG-CG 4.4Å; L421-K453 PolarHBondContact O-N 3.41Å; L421-L454 HydrophobicContact CD2-CD2 3.87Å; L421-L454 PolarHBondContact O-N 3.33Å
422N88.1Confident89Confident61 Ų6114.6 Ų14.633%0.3269%0.089SC..G310 helixtrans-93.2-7.1-177.4-69.3-34.2000113.9R92 E419 S420R92-N422 PolarHBondContact NH2-O 2.95Å; E419-N422 WeakPolarHBondContact O-CA 3.4Å; E419-N422 WeakPolarHBondContact O-CB 3.42Å; E419-N422 PolarHBondContact O-N 3Å; S420-N422 VanDerWaalsContact C-N 3.33Å
423Y89.3Confident88.9Confident2 Ų216 Ų161%0.00810%0.095CC..SBendtrans-84.6146.5168.7-72.4-102.1000109.6E419 I425 L454 T541 F545 E571E419-Y423 HydrophobicContact CB-CE2 4Å; E419-Y423 VanDerWaalsContact O-CD2 3.23Å; E419-Y423 WeakPolarHBondContact O-CD2 3.41Å; Y423-I425 WeakPolarHBondContact CB-O 3.39Å; Y423-I425 PolarHBondContact O-N 3.46Å; Y423-L454 WeakPolarHBondContact O-CA 3.46Å; Y423-L454 WeakPolarHBondContact O-CD1 3.18Å; Y423-L454 PolarHBondContact O-N 3.5Å; Y423-T541 HydrophobicContact CE1-CG2 4.37Å; Y423-F545 HydrophobicContact CD2-CE2 4.13Å; Y423-F545 AromaticContact CD2-CZ 3.81Å; Y423-F545 HydrophobicContact CD2-CZ 3.81Å; Y423-F545 HydrophobicContact CE2-CE2 4.36Å; Y423-F545 AromaticContact CE2-CZ 3.68Å; Y423-F545 HydrophobicContact CE2-CZ 3.68Å; Y423-E571 HydrophobicContact CE1-CB 4.36Å; Y423-E571 WeakPolarHBondContact CE1-OE2 3.41Å; Y423-E571 PolarHBondContact OH-OE2 2.89Å; Y423-E571 VanDerWaalsContact OH-OE2 3.08Å
424E91Very high89Confident88 Ų8816.2 Ų16.241%0.41110%0.097SC..SBendtrans-64-35.3170.5-66.4-175.4-175.300111.5K453 R455 R456E424-K453 WeakPolarHBondContact CA-O 3.49Å; E424-R455 PolarHBondContact O-N 3.08Å; E424-R456 PolarHBondContact O-N 3Å; E424-R456 VanDerWaalsContact O-N 3.15Å
425I94.4Very high89.4Confident3 Ų315.6 Ų15.62%0.0159%0.09CC..EExtended strand (participates in β ladder)trans-133.2125.3179.9-57.1148.9000108.8Y423 R456 Y458 N537 K540 V542 G543Y423-I425 WeakPolarHBondContact CB-O 3.39Å; Y423-I425 PolarHBondContact O-N 3.46Å; I425-R456 WeakPolarHBondContact CA-O 3.23Å; I425-R456 HydrophobicContact CG1-CB 4.38Å; I425-Y458 HydrophobicContact CG2-CD2 4.03Å; I425-Y458 HydrophobicContact CG2-CE2 3.72Å; I425-N537 HydrophobicContact CD1-CB 3.73Å; I425-N537 WeakPolarHBondContact CD1-OD1 3.26Å; I425-K540 HydrophobicContact CD1-CB 3.87Å; I425-K540 HydrophobicContact CD1-CD 3.53Å; I425-K540 HydrophobicContact CD1-CG 4.35Å; I425-V542 HydrophobicContact CB-CG2 4.17Å; I425-V542 HydrophobicContact CD1-CG2 4.46Å; I425-V542 HydrophobicContact CG2-CB 4.46Å; I425-V542 HydrophobicContact CG2-CG1 4.07Å; I425-V542 HydrophobicContact CG2-CG2 3.89Å; I425-V542 WeakPolarHBondContact O-CA 3.36Å; I425-G543 PolarHBondContact O-N 3.05Å
426S95.2Very high89.7Confident0 Ų016 Ų160%09%0.093CC..EExtended strand (participates in β ladder)trans-122.7133.5178.3-72.40000111S420 R456 L457 Y458 G543S420-S426 PolarHBondContact O-OG 3.19Å; S426-R456 PolarHBondContact N-O 3.05Å; S426-L457 WeakPolarHBondContact O-CA 3.47Å; S426-Y458 PolarHBondContact O-N 3.24Å; S426-G543 CarbonylContact C-O 3.58Å; S426-G543 WeakPolarHBondContact CA-O 3.35Å
427L95.8Very high90Very high0 Ų015.1 Ų15.10%09%0.087CC..EExtended strand (participates in β ladder)trans-108.4104.6171.6173.360.1000108.4V429 Y458 I460 L529 F530 I533 V542 G543 V544 F545L427-V429 HydrophobicContact CD1-CG2 4.1Å; L427-V429 HydrophobicContact CG-CG2 3.99Å; L427-Y458 CarbonylContact C-O 3.54Å; L427-Y458 WeakPolarHBondContact CA-O 3.41Å; L427-I460 HydrophobicContact CD1-CD1 3.69Å; L427-I460 HydrophobicContact CD1-CG1 4.26Å; L427-L529 HydrophobicContact CD1-CD2 4.45Å; L427-F530 HydrophobicContact CD2-CD2 4.45Å; L427-F530 HydrophobicContact CD2-CE2 3.8Å; L427-F530 HydrophobicContact CD2-CZ 3.88Å; L427-I533 HydrophobicContact CD1-CD1 3.82Å; L427-I533 HydrophobicContact CD2-CD1 3.97Å; L427-I533 HydrophobicContact CG-CD1 4.4Å; L427-V542 HydrophobicContact CB-CG1 3.99Å; L427-G543 PolarHBondContact N-O 3.01Å; L427-V544 HydrophobicContact CB-CG2 4.36Å; L427-V544 HydrophobicContact CD2-CG1 4.15Å; L427-V544 HydrophobicContact CD2-CG2 4.15Å; L427-V544 HydrophobicContact CG-CG1 4.41Å; L427-V544 CarbonylContact O-C 3.52Å; L427-V544 WeakPolarHBondContact O-CA 3.31Å; L427-F545 PolarHBondContact O-N 3.37Å
428C95.2Very high90.3Very high1 Ų115.2 Ų15.21%0.0079%0.088CC..EExtended strand (participates in β ladder)trans-99.4113.3-178.9-70.30000109.5F438 L457 Y458 F459 I460C428-F438 HydrophobicContact CB-CD1 3.51Å; C428-F438 HydrophobicContact CB-CE1 3.21Å; C428-F438 HydrophobicContact CB-CG 4.32Å; C428-F438 HydrophobicContact CB-CZ 3.76Å; C428-F438 VanDerWaalsContact SG-CD1 3.57Å; C428-F438 WeakPolarHBondContact SG-CE1 3.28Å; C428-L457 HydrophobicContact CB-CD1 4.37Å; C428-L457 VanDerWaalsContact SG-CD1 3.54Å; C428-Y458 PolarHBondContact N-O 3.19Å; C428-F459 HydrophobicContact CB-CD2 3.98Å; C428-F459 WeakPolarHBondContact O-CA 3.39Å; C428-I460 PolarHBondContact O-N 3.04Å
429V95.3Very high90.6Very high0 Ų013.7 Ų13.70%08%0.081CC..EExtended strand (participates in β ladder)trans-116.3116.7180-170.90000110.3L427 I460 W526 F545 C546 C547 L552 L556L427-V429 HydrophobicContact CD1-CG2 4.1Å; L427-V429 HydrophobicContact CG-CG2 3.99Å; V429-I460 CarbonylContact C-O 3.58Å; V429-I460 WeakPolarHBondContact CA-O 3.24Å; V429-I460 HydrophobicContact CG1-CB 4.5Å; V429-I460 HydrophobicContact CG2-CB 4.42Å; V429-I460 HydrophobicContact CG2-CD1 4.46Å; V429-W526 HydrophobicContact CG1-CH2 3.42Å; V429-W526 VanDerWaalsContact CG1-CH2 3.42Å; V429-W526 HydrophobicContact CG1-CZ2 4.33Å; V429-W526 HydrophobicContact CG1-CZ3 3.85Å; V429-W526 HydrophobicContact CG2-CZ3 4.2Å; V429-F545 PolarHBondContact N-O 3.2Å; V429-C546 WeakPolarHBondContact O-CA 3.38Å; V429-C547 PolarHBondContact O-N 3.37Å; V429-L552 HydrophobicContact CG1-CD1 4.48Å; V429-L552 HydrophobicContact CG1-CD2 4.18Å; V429-L556 HydrophobicContact CB-CD1 3.89Å; V429-L556 HydrophobicContact CG1-CD1 3.87Å; V429-L556 HydrophobicContact CG2-CD1 4.06Å
430A93.1Very high90.8Very high0 Ų013.3 Ų13.30%08%0.079CC..EExtended strand (participates in β ladder)trans-110.1141.5178.500000111.5V435 F438 I460 W461 V462 C547A430-V435 HydrophobicContact CB-CB 3.97Å; A430-V435 HydrophobicContact CB-CG2 4.32Å; A430-F438 HydrophobicContact CB-CD2 3.83Å; A430-F438 HydrophobicContact CB-CE2 3.75Å; A430-I460 PolarHBondContact N-O 2.85Å; A430-W461 HydrophobicContact CB-CB 4.36Å; A430-W461 HydrophobicContact CB-CG 4.06Å; A430-V462 PolarHBondContact O-N 3.38Å; A430-C547 CarbonylContact C-O 3.6Å; A430-C547 WeakPolarHBondContact CA-O 3.49Å
431G91.3Very high91Very high11 Ų1113.2 Ų13.211%0.1138%0.078CC..EExtended strand (participates in β ladder)trans-122.9117.3169.600000111.8I433 G434 V462 C547G431-I433 PolarHBondContact O-N 3.29Å; G431-G434 PolarHBondContact O-N 3.22Å; G431-V462 WeakPolarHBondContact CA-O 3.37Å; G431-C547 PolarHBondContact N-O 2.99Å
432G88.1Confident91.2Very high27 Ų2713 Ų1328%0.2788%0.077SC..G310 helixtrans58-129.1-178.800000112.5G434 V435 W461 V462G432-G434 PolarHBondContact O-N 3.21Å; G432-G434 VanDerWaalsContact O-N 3.14Å; G432-V435 PolarHBondContact O-N 3.24Å; G432-W461 PolarHBondContact O-NE1 3.04Å; G432-V462 PolarHBondContact N-O 3.1Å
433I86.8Confident91.3Very high57 Ų5712.3 Ų12.329%0.2927%0.074SC..G310 helixtrans-63.3-14175.9-166.364.4000113.2V321 K372 G431 V435 T436 W471V321-I433 HydrophobicContact CG1-CD1 4.1Å; V321-I433 HydrophobicContact CG2-CD1 3.93Å; K372-I433 HydrophobicContact CB-CB 4.09Å; K372-I433 HydrophobicContact CB-CD1 4.03Å; K372-I433 HydrophobicContact CB-CG1 3.75Å; K372-I433 HydrophobicContact CB-CG2 4.35Å; K372-I433 HydrophobicContact CD-CB 4.28Å; K372-I433 HydrophobicContact CD-CG2 4.45Å; G431-I433 PolarHBondContact O-N 3.29Å; I433-V435 PolarHBondContact O-N 2.94Å; I433-T436 HydrophobicContact CD1-CG2 3.82Å; I433-T436 HydrophobicContact CG1-CG2 4.09Å; I433-T436 WeakPolarHBondContact O-CG2 2.93Å; I433-T436 PolarHBondContact O-N 3.04Å; I433-T436 VanDerWaalsContact O-N 3.15Å; I433-T436 PolarHBondContact O-OG1 2.79Å; I433-W471 HydrophobicContact CD1-CZ2 4.29Å
434G87.9Confident91.3Very high7 Ų713.1 Ų13.17%0.0728%0.079CC..G310 helixtrans-623.8174.800000115G431 G432 T436 P437 C547G431-G434 PolarHBondContact O-N 3.22Å; G432-G434 PolarHBondContact O-N 3.21Å; G432-G434 VanDerWaalsContact O-N 3.14Å; G434-T436 VanDerWaalsContact C-N 3.32Å; G434-P437 WeakPolarHBondContact O-CD 3.38Å; G434-C547 WeakPolarHBondContact CA-SG 3.23Å; G434-C547 VanDerWaalsContact O-CB 3.25Å; G434-C547 WeakPolarHBondContact O-CB 3.26Å
435V89.9Confident91.2Very high0 Ų09 Ų90%06%0.059CC..G310 helixtrans-72.6-22.3170.169.30000113.5A430 G432 I433 P437 F438 A439 F459 W461 W471 F472A430-V435 HydrophobicContact CB-CB 3.97Å; A430-V435 HydrophobicContact CB-CG2 4.32Å; G432-V435 PolarHBondContact O-N 3.24Å; I433-V435 PolarHBondContact O-N 2.94Å; V435-P437 VanDerWaalsContact C-CD 3.41Å; V435-F438 WeakPolarHBondContact O-CA 3.32Å; V435-F438 WeakPolarHBondContact O-CB 3.49Å; V435-F438 PolarHBondContact O-N 3.31Å; V435-A439 PolarHBondContact O-N 3.11Å; V435-F459 HydrophobicContact CG2-CE2 4.32Å; V435-F459 HydrophobicContact CG2-CZ 3.77Å; V435-W461 HydrophobicContact CB-CD2 4.18Å; V435-W461 HydrophobicContact CB-CZ2 3.91Å; V435-W461 HydrophobicContact CG1-CH2 4.16Å; V435-W461 HydrophobicContact CG1-CZ2 3.55Å; V435-W461 HydrophobicContact CG2-CD2 3.97Å; V435-W461 HydrophobicContact CG2-CE3 4.25Å; V435-W461 HydrophobicContact CG2-CG 4.42Å; V435-W461 HydrophobicContact CG2-CH2 4.47Å; V435-W461 HydrophobicContact CG2-CZ2 4.2Å; V435-W461 HydrophobicContact CG2-CZ3 4.5Å; V435-W471 HydrophobicContact CG1-CH2 3.59Å; V435-W471 HydrophobicContact CG1-CZ2 3.41Å; V435-W471 VanDerWaalsContact CG1-CZ2 3.41Å; V435-F472 HydrophobicContact CG2-CD1 3.84Å; V435-F472 HydrophobicContact CG2-CE1 3.68Å; V435-F472 HydrophobicContact CG2-CG 4.34Å; V435-F472 HydrophobicContact CG2-CZ 4.07Å
436T90.1Very high91Very high13 Ų1310.8 Ų10.88%0.087%0.069CC..Hα-helixtrans-55.5-37.6-171.953.40000115.4T357 H370 I433 G434 F438 A439 W471T357-T436 HydrophobicContact CG2-CG2 4.1Å; H370-T436 HydrophobicContact CB-CG2 3.78Å; I433-T436 HydrophobicContact CD1-CG2 3.82Å; I433-T436 HydrophobicContact CG1-CG2 4.09Å; I433-T436 WeakPolarHBondContact O-CG2 2.93Å; I433-T436 PolarHBondContact O-N 3.04Å; I433-T436 VanDerWaalsContact O-N 3.15Å; I433-T436 PolarHBondContact O-OG1 2.79Å; G434-T436 VanDerWaalsContact C-N 3.32Å; T436-F438 PolarHBondContact O-N 3.37Å; T436-A439 WeakPolarHBondContact O-CB 3.27Å; T436-A439 PolarHBondContact O-N 3.47Å; T436-A439 VanDerWaalsContact O-N 3.16Å; T436-W471 HydrophobicContact CG2-CH2 4.12Å
437P89.4Confident90.6Very high0 Ų015 Ų150%09%0.091CC..Hα-helixtrans-65.8-29.9175.1-18.933.9000113.2T355 F417 G434 V435 A439 S440 I441 C547 E575T355-P437 HydrophobicContact CG2-CB 3.8Å; T355-P437 HydrophobicContact CG2-CG 3.95Å; F417-P437 HydrophobicContact CD1-CB 3.51Å; F417-P437 HydrophobicContact CD1-CG 4.39Å; F417-P437 HydrophobicContact CE1-CB 3.83Å; F417-P437 HydrophobicContact CE1-CG 4.27Å; F417-P437 HydrophobicContact CG-CB 4.12Å; G434-P437 WeakPolarHBondContact O-CD 3.38Å; V435-P437 VanDerWaalsContact C-CD 3.41Å; P437-A439 VanDerWaalsContact C-N 3.31Å; P437-S440 PolarHBondContact O-OG 3.3Å; P437-I441 WeakPolarHBondContact O-CD1 3.29Å; P437-C547 HydrophobicContact CG-CB 4.25Å; P437-E575 VanDerWaalsContact CB-OE2 3.25Å; P437-E575 WeakPolarHBondContact CB-OE2 3.36Å; P437-E575 WeakPolarHBondContact CG-OE2 3.33Å
438F91.4Very high90Very high1 Ų118.7 Ų18.70%0.00411%0.111CC..Hα-helixtrans-77.5-19.4177.6-55.1-68000112.3F417 C428 A430 V435 T436 I441 L442 F459 F545 C547F417-F438 HydrophobicContact CD1-CD1 4.18Å; F417-F438 AromaticContact CD1-CE1 3.74Å; F417-F438 HydrophobicContact CD1-CE1 3.74Å; F417-F438 HydrophobicContact CD1-CZ 4.11Å; F417-F438 HydrophobicContact CE1-CD1 4.12Å; F417-F438 HydrophobicContact CE1-CD2 4.47Å; F417-F438 AromaticContact CE1-CE1 3.38Å; F417-F438 HydrophobicContact CE1-CE1 3.38Å; F417-F438 AromaticContact CE1-CE2 3.84Å; F417-F438 HydrophobicContact CE1-CE2 3.84Å; F417-F438 AromaticContact CE1-CZ 3.27Å; F417-F438 HydrophobicContact CE1-CZ 3.27Å; F417-F438 HydrophobicContact CZ-CE1 4.42Å; F417-F438 HydrophobicContact CZ-CZ 4.05Å; C428-F438 HydrophobicContact CB-CD1 3.51Å; C428-F438 HydrophobicContact CB-CE1 3.21Å; C428-F438 HydrophobicContact CB-CG 4.32Å; C428-F438 HydrophobicContact CB-CZ 3.76Å; C428-F438 VanDerWaalsContact SG-CD1 3.57Å; C428-F438 WeakPolarHBondContact SG-CE1 3.28Å; A430-F438 HydrophobicContact CB-CD2 3.83Å; A430-F438 HydrophobicContact CB-CE2 3.75Å; V435-F438 WeakPolarHBondContact O-CA 3.32Å; V435-F438 WeakPolarHBondContact O-CB 3.49Å; V435-F438 PolarHBondContact O-N 3.31Å; T436-F438 PolarHBondContact O-N 3.37Å; F438-I441 HydrophobicContact CD1-CD1 3.94Å; F438-I441 PolarHBondContact O-N 3.31Å; F438-L442 HydrophobicContact CB-CD1 4.45Å; F438-L442 WeakPolarHBondContact O-CB 3.22Å; F438-L442 WeakPolarHBondContact O-CG 3.49Å; F438-L442 PolarHBondContact O-N 2.79Å; F438-F459 HydrophobicContact CB-CD2 4.41Å; F438-F459 HydrophobicContact CB-CE2 3.74Å; F438-F459 HydrophobicContact CD2-CE2 4.14Å; F438-F459 HydrophobicContact CG-CD2 4.49Å; F438-F459 AromaticContact CG-CE2 3.97Å; F438-F459 HydrophobicContact CG-CE2 3.97Å; F438-F545 HydrophobicContact CE1-CB 3.91Å; F438-F545 HydrophobicContact CZ-CB 4.16Å; F438-C547 HydrophobicContact CE2-CB 4.4Å
439A90.4Very high89.5Confident1 Ų120 Ų201%0.00812%0.116CC..Hα-helixtrans-56.6-50.6172.800000112.6T357 V435 T436 P437 I441 L442 N443 F472T357-A439 HydrophobicContact CG2-CB 3.87Å; T357-A439 CarbonylContact O-C 3.54Å; V435-A439 PolarHBondContact O-N 3.11Å; T436-A439 WeakPolarHBondContact O-CB 3.27Å; T436-A439 PolarHBondContact O-N 3.47Å; T436-A439 VanDerWaalsContact O-N 3.16Å; P437-A439 VanDerWaalsContact C-N 3.31Å; A439-I441 VanDerWaalsContact C-N 3.32Å; A439-I441 PolarHBondContact O-N 2.8Å; A439-L442 PolarHBondContact O-N 3.35Å; A439-N443 WeakPolarHBondContact O-CB 3.5Å; A439-N443 PolarHBondContact O-N 3.3Å; A439-N443 PolarHBondContact O-ND2 3.18Å; A439-F472 HydrophobicContact CB-CD2 4.46Å; A439-F472 HydrophobicContact CB-CE2 3.38Å; A439-F472 HydrophobicContact CB-CZ 3.88Å
440S89.8Confident89Confident0 Ų027.6 Ų27.60%015%0.149CC..Hα-helixtrans-66.1-38.1178.647.50000111.8G336 L356 T357 P437 T444G336-S440 PolarHBondContact N-OG 2.93Å; L356-S440 WeakPolarHBondContact O-CB 3.16Å; L356-S440 PolarHBondContact O-OG 2.88Å; T357-S440 VanDerWaalsContact O-CA 3.24Å; T357-S440 WeakPolarHBondContact O-CA 3.48Å; T357-S440 PolarHBondContact O-N 3.36Å; T357-S440 VanDerWaalsContact O-N 3.17Å; P437-S440 PolarHBondContact O-OG 3.3Å; S440-T444 WeakPolarHBondContact O-CB 3.41Å; S440-T444 PolarHBondContact O-N 3.02Å; S440-T444 PolarHBondContact O-OG1 2.89Å
441I90.8Very high88.6Confident1 Ų131.8 Ų31.81%0.00518%0.176CC..Hα-helixtrans-61-48.6176.7-63.7164.4000110.9P335 F417 S420 L421 P437 F438 A439 T444 L445P335-I441 HydrophobicContact CB-CG1 4.41Å; F417-I441 HydrophobicContact CB-CD1 4.32Å; F417-I441 HydrophobicContact CD1-CD1 4.26Å; S420-I441 WeakPolarHBondContact OG-CD1 3.25Å; L421-I441 HydrophobicContact CD2-CG2 3.69Å; L421-I441 HydrophobicContact CG-CG2 4.14Å; P437-I441 WeakPolarHBondContact O-CD1 3.29Å; F438-I441 HydrophobicContact CD1-CD1 3.94Å; F438-I441 PolarHBondContact O-N 3.31Å; A439-I441 VanDerWaalsContact C-N 3.32Å; A439-I441 PolarHBondContact O-N 2.8Å; I441-T444 PolarHBondContact O-N 3.26Å; I441-L445 WeakPolarHBondContact O-CG 3.29Å; I441-L445 PolarHBondContact O-N 3.35Å; I441-L445 VanDerWaalsContact O-N 3.09Å
442L91.6Very high88.5Confident1 Ų134.6 Ų34.61%0.00518%0.184CC..Hα-helixtrans-70.3-38.6-177.7-66.7168.7000111.8F438 A439 T444 L445 L446 L457 F459 F472 L475 L476 L479F438-L442 HydrophobicContact CB-CD1 4.45Å; F438-L442 WeakPolarHBondContact O-CB 3.22Å; F438-L442 WeakPolarHBondContact O-CG 3.49Å; F438-L442 PolarHBondContact O-N 2.79Å; A439-L442 PolarHBondContact O-N 3.35Å; L442-T444 VanDerWaalsContact C-N 3.32Å; L442-T444 PolarHBondContact O-N 3Å; L442-L445 PolarHBondContact O-N 3.2Å; L442-L446 PolarHBondContact O-N 2.93Å; L442-L457 HydrophobicContact CD2-CD2 3.73Å; L442-F459 HydrophobicContact CD1-CD2 4.3Å; L442-F459 HydrophobicContact CD1-CE2 4.08Å; L442-F459 HydrophobicContact CD1-CZ 4.23Å; L442-F472 HydrophobicContact CD1-CE1 3.49Å; L442-F472 VanDerWaalsContact CD1-CE1 3.49Å; L442-F472 HydrophobicContact CD1-CZ 3.62Å; L442-L475 HydrophobicContact CB-CD2 4.1Å; L442-L476 HydrophobicContact CD1-CD2 3.84Å; L442-L479 HydrophobicContact CB-CD2 4.24Å; L442-L479 HydrophobicContact CD2-CD2 3.38Å; L442-L479 HydrophobicContact CG-CD2 4.34Å
443N90Very high88.5Confident46 Ų4640.1 Ų40.125%0.24620%0.2CC..Hα-helixtrans-59.2-42.9171.6-82.6-38.6000111.5T357 A439 L445 L446 D447 L475T357-N443 PolarHBondContact O-ND2 3.38Å; A439-N443 WeakPolarHBondContact O-CB 3.5Å; A439-N443 PolarHBondContact O-N 3.3Å; A439-N443 PolarHBondContact O-ND2 3.18Å; N443-L445 PolarHBondContact O-N 2.94Å; N443-L446 WeakPolarHBondContact O-CB 3.32Å; N443-L446 PolarHBondContact O-N 3Å; N443-L446 VanDerWaalsContact O-N 3.13Å; N443-D447 PolarHBondContact O-N 3.41Å; N443-L475 WeakPolarHBondContact OD1-CD1 3.42Å; N443-L475 WeakPolarHBondContact OD1-CD2 3.22Å
444T89.3Confident88.7Confident19 Ų1937.6 Ų37.612%0.11719%0.187CC..Hα-helixtrans-64.5-38.2176.8-62.90000113P335 L421 S440 I441 L442 L446 D447 D448 Y452P335-T444 HydrophobicContact CG-CG2 3.97Å; P335-T444 WeakPolarHBondContact CG-OG1 3.22Å; L421-T444 HydrophobicContact CD1-CG2 4.08Å; S440-T444 WeakPolarHBondContact O-CB 3.41Å; S440-T444 PolarHBondContact O-N 3.02Å; S440-T444 PolarHBondContact O-OG1 2.89Å; I441-T444 PolarHBondContact O-N 3.26Å; L442-T444 VanDerWaalsContact C-N 3.32Å; L442-T444 PolarHBondContact O-N 3Å; T444-L446 VanDerWaalsContact C-N 3.28Å; T444-L446 PolarHBondContact O-N 3.08Å; T444-D447 PolarHBondContact O-N 3.12Å; T444-D448 CarbonylContact O-C 3.6Å; T444-D448 PolarHBondContact O-N 3.38Å; T444-Y452 HydrophobicContact CG2-CE2 3.52Å; T444-Y452 VanDerWaalsContact CG2-OH 3.23Å; T444-Y452 WeakPolarHBondContact CG2-OH 3.46Å
445L89.8Confident88.9Confident0 Ų045.5 Ų45.50%022%0.215CC..Hα-helixtrans-66.9-31.8173.4-67.6175.3000112.3L421 I441 L442 N443 D447 W449 L454 L457 L479 K482 Y491L421-L445 HydrophobicContact CD2-CD1 4.2Å; L421-L445 HydrophobicContact CD2-CD2 3.71Å; L421-L445 HydrophobicContact CD2-CG 3.94Å; I441-L445 WeakPolarHBondContact O-CG 3.29Å; I441-L445 PolarHBondContact O-N 3.35Å; I441-L445 VanDerWaalsContact O-N 3.09Å; L442-L445 PolarHBondContact O-N 3.2Å; N443-L445 PolarHBondContact O-N 2.94Å; L445-D447 VanDerWaalsContact C-N 3.33Å; L445-W449 HydrophobicContact CD2-CB 3.74Å; L445-L454 HydrophobicContact CD1-CD2 4.07Å; L445-L454 HydrophobicContact CD2-CD2 4.23Å; L445-L457 HydrophobicContact CD1-CD2 3.74Å; L445-L479 HydrophobicContact CB-CD1 3.99Å; L445-K482 PolarHBondContact O-NZ 3.44Å; L445-Y491 HydrophobicContact CD2-CE1 4.21Å
446L89.2Confident89Confident41 Ų4148.1 Ų48.122%0.21523%0.225CC..Hα-helixtrans-68.1-32.9173.5-170.570.5000112L442 N443 T444 L475 M478 L479 K482L442-L446 PolarHBondContact O-N 2.93Å; N443-L446 WeakPolarHBondContact O-CB 3.32Å; N443-L446 PolarHBondContact O-N 3Å; N443-L446 VanDerWaalsContact O-N 3.13Å; T444-L446 VanDerWaalsContact C-N 3.28Å; T444-L446 PolarHBondContact O-N 3.08Å; L446-L475 HydrophobicContact CD2-CD1 3.85Å; L446-M478 HydrophobicContact CD1-CB 4.07Å; L446-M478 HydrophobicContact CD2-CB 4.28Å; L446-M478 HydrophobicContact CD2-CE 4.23Å; L446-L479 HydrophobicContact CB-CD1 4.08Å; L446-L479 HydrophobicContact CD1-CD1 4.24Å; L446-K482 VanDerWaalsContact C-NZ 3.31Å; L446-K482 HydrophobicContact CD1-CB 4.35Å; L446-K482 HydrophobicContact CD1-CD 4.01Å; L446-K482 PolarHBondContact O-NZ 3.44Å
447D86.7Confident89.2Confident89 Ų8947.6 Ų47.648%0.47622%0.221SC..Hα-helixtrans-77.5-72.6174.1-68.4-26.3000110.7N443 T444 L445 K482N443-D447 PolarHBondContact O-N 3.41Å; T444-D447 PolarHBondContact O-N 3.12Å; L445-D447 VanDerWaalsContact C-N 3.33Å; D447-K482 PolarHBondContact O-NZ 3.32Å
448D84.8Confident89.5Confident77 Ų7748.1 Ų48.141%0.41222%0.224SC..  trans-143.4117.4179.4-171.811.1000112.1T444 K450 P451 Y452T444-D448 CarbonylContact O-C 3.6Å; T444-D448 PolarHBondContact O-N 3.38Å; D448-K450 WeakPolarHBondContact OD1-CB 3.08Å; D448-K450 PolarHBondContact OD1-N 3.28Å; D448-P451 VanDerWaalsContact CG-CD 3.42Å; D448-P451 WeakPolarHBondContact OD1-CD 3.37Å; D448-P451 VanDerWaalsContact OD2-CD 3.31Å; D448-P451 WeakPolarHBondContact OD2-CD 3.18Å; D448-Y452 VanDerWaalsContact O-CE2 3.3Å; D448-Y452 WeakPolarHBondContact O-CE2 3.37Å
449W83.7Confident89.7Confident30 Ų3048.1 Ų48.111%0.11422%0.224CC..  trans-98.3-17179.564.3-97.1000113.2L445 P451 Y452 F483 E486 Y491L445-W449 HydrophobicContact CD2-CB 3.74Å; W449-P451 VanDerWaalsContact C-CD 3.43Å; W449-Y452 PolarHBondContact O-N 3.22Å; W449-F483 HydrophobicContact CB-CZ 4.26Å; W449-F483 AromaticContact CD1-CE1 3.64Å; W449-F483 AromaticContact CD1-CZ 3.92Å; W449-F483 HydrophobicContact CD2-CE1 4.21Å; W449-F483 AromaticContact CG-CE1 3.91Å; W449-F483 HydrophobicContact CG-CE1 3.91Å; W449-F483 HydrophobicContact CG-CZ 4.07Å; W449-F483 AromaticContact NE1-CE1 3.78Å; W449-E486 PolarHBondContact NE1-OE2 3.33Å; W449-Y491 HydrophobicContact CB-CE1 4.45Å; W449-Y491 HydrophobicContact CE3-CE2 4.05Å; W449-Y491 HydrophobicContact CZ3-CE2 4.41Å
450K84.3Confident89.9Confident159 Ų15948.2 Ų48.269%0.69122%0.224SC*.THydrogen-bonded Turntrans-62-36.6-174.5-64.3177.4-177.5174.10115.7D448 Y452D448-K450 WeakPolarHBondContact OD1-CB 3.08Å; D448-K450 PolarHBondContact OD1-N 3.28Å; K450-Y452 PolarHBondContact O-N 2.87Å
451P86.2Confident90.1Very high88 Ų8848.3 Ų48.357%0.57122%0.224SC*.THydrogen-bonded Turntrans-72.4-10.9-177.326.7-33.9000113D448 W449D448-P451 VanDerWaalsContact CG-CD 3.42Å; D448-P451 WeakPolarHBondContact OD1-CD 3.37Å; D448-P451 VanDerWaalsContact OD2-CD 3.31Å; D448-P451 WeakPolarHBondContact OD2-CD 3.18Å; W449-P451 VanDerWaalsContact C-CD 3.43Å
452Y87.6Confident90.2Very high70 Ų7049.2 Ų49.228%0.27523%0.23SC..SBendtrans-94.4151.1-174.8-60-68.9000112.4L421 T444 D448 W449 K450 L454L421-Y452 HydrophobicContact CB-CD1 3.45Å; L421-Y452 VanDerWaalsContact CB-CD1 3.45Å; L421-Y452 HydrophobicContact CB-CE1 3.98Å; L421-Y452 HydrophobicContact CB-CG 3.8Å; L421-Y452 HydrophobicContact CD1-CD1 3.87Å; L421-Y452 HydrophobicContact CD1-CD2 4.18Å; L421-Y452 HydrophobicContact CD1-CE1 3.6Å; L421-Y452 HydrophobicContact CD1-CE2 3.95Å; L421-Y452 HydrophobicContact CD1-CG 4.14Å; L421-Y452 HydrophobicContact CG-CD1 4.24Å; L421-Y452 HydrophobicContact CG-CE1 4.43Å; L421-Y452 HydrophobicContact CG-CG 4.4Å; T444-Y452 HydrophobicContact CG2-CE2 3.52Å; T444-Y452 VanDerWaalsContact CG2-OH 3.23Å; T444-Y452 WeakPolarHBondContact CG2-OH 3.46Å; D448-Y452 VanDerWaalsContact O-CE2 3.3Å; D448-Y452 WeakPolarHBondContact O-CE2 3.37Å; W449-Y452 PolarHBondContact O-N 3.22Å; K450-Y452 PolarHBondContact O-N 2.87Å; Y452-L454 PolarHBondContact O-N 3.34Å
453K89.4Confident90Very high142 Ų14249.3 Ų49.362%0.61723%0.23SC*.  trans-76.9-10.6178.2-65.9-172.2178.3-172.50113.1L421 E424 R455L421-K453 PolarHBondContact O-N 3.41Å; E424-K453 WeakPolarHBondContact CA-O 3.49Å; K453-R455 PolarHBondContact O-N 3.39Å
454L91.4Very high89.8Confident5 Ų555.2 Ų55.23%0.02625%0.249CC..  trans-60.4125.5-178.4-17266.8000111.1L421 Y423 L445 Y452 R456 L457 Y491L421-L454 HydrophobicContact CD2-CD2 3.87Å; L421-L454 PolarHBondContact O-N 3.33Å; Y423-L454 WeakPolarHBondContact O-CA 3.46Å; Y423-L454 WeakPolarHBondContact O-CD1 3.18Å; Y423-L454 PolarHBondContact O-N 3.5Å; L445-L454 HydrophobicContact CD1-CD2 4.07Å; L445-L454 HydrophobicContact CD2-CD2 4.23Å; Y452-L454 PolarHBondContact O-N 3.34Å; L454-R456 WeakPolarHBondContact CD1-O 3.29Å; L454-L457 HydrophobicContact CD2-CB 4.19Å; L454-L457 HydrophobicContact CD2-CD1 4.31Å; L454-Y491 WeakPolarHBondContact O-CE2 3.32Å; L454-Y491 VanDerWaalsContact O-CZ 3.31Å; L454-Y491 PolarHBondContact O-OH 3.12Å
455R90.3Very high89.5Confident172 Ų17257.9 Ų57.965%0.64926%0.263SS*.  trans-112.6-26.8175.7-62.3-171.9179.5-163.72.3112.3E424 K453 Y491E424-R455 PolarHBondContact O-N 3.08Å; K453-R455 PolarHBondContact O-N 3.39Å; R455-Y491 VanDerWaalsContact O-CD2 3.26Å; R455-Y491 WeakPolarHBondContact O-CD2 3.46Å
456R93.1Very high89.1Confident55 Ų5559.5 Ų59.521%0.20827%0.271CS..EExtended strand (participates in β ladder)trans-148.9127.3179.9-162.5163.9-163.8-175.45112.1E424 I425 S426 L454 Y458 D490E424-R456 PolarHBondContact O-N 3Å; E424-R456 VanDerWaalsContact O-N 3.15Å; I425-R456 WeakPolarHBondContact CA-O 3.23Å; I425-R456 HydrophobicContact CG1-CB 4.38Å; S426-R456 PolarHBondContact N-O 3.05Å; L454-R456 WeakPolarHBondContact CD1-O 3.29Å; R456-Y458 WeakPolarHBondContact CD-OH 3.4Å; R456-Y458 HydrophobicContact CG-CE2 3.93Å; R456-Y458 VanDerWaalsContact CZ-OH 3.25Å; R456-Y458 PolarHBondContact NE-OH 3.45Å; R456-Y458 PolarHBondContact NH1-OH 3.28Å; R456-Y458 VanDerWaalsContact NH1-OH 3.14Å; R456-D490 IonicContact NH2-OD1 3.75Å
457L94.9Very high88.8Confident2 Ų260.8 Ų60.81%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-115119.7177.6-173.764.3000110S426 C428 L442 L445 L454 Y491 V492 N493S426-L457 WeakPolarHBondContact O-CA 3.47Å; C428-L457 HydrophobicContact CB-CD1 4.37Å; C428-L457 VanDerWaalsContact SG-CD1 3.54Å; L442-L457 HydrophobicContact CD2-CD2 3.73Å; L445-L457 HydrophobicContact CD1-CD2 3.74Å; L454-L457 HydrophobicContact CD2-CB 4.19Å; L454-L457 HydrophobicContact CD2-CD1 4.31Å; L457-Y491 PolarHBondContact N-O 3.37Å; L457-V492 HydrophobicContact CD2-CG1 4.34Å; L457-N493 PolarHBondContact O-N 3.41Å
458Y95.4Very high88.6Confident12 Ų1257.2 Ų57.25%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-96.9114.9167-61.8-89.6000107.8I425 S426 L427 C428 R456 N493 I533 N537I425-Y458 HydrophobicContact CG2-CD2 4.03Å; I425-Y458 HydrophobicContact CG2-CE2 3.72Å; S426-Y458 PolarHBondContact O-N 3.24Å; L427-Y458 CarbonylContact C-O 3.54Å; L427-Y458 WeakPolarHBondContact CA-O 3.41Å; C428-Y458 PolarHBondContact N-O 3.19Å; R456-Y458 WeakPolarHBondContact CD-OH 3.4Å; R456-Y458 HydrophobicContact CG-CE2 3.93Å; R456-Y458 VanDerWaalsContact CZ-OH 3.25Å; R456-Y458 PolarHBondContact NE-OH 3.45Å; R456-Y458 PolarHBondContact NH1-OH 3.28Å; R456-Y458 VanDerWaalsContact NH1-OH 3.14Å; Y458-N493 HydrophobicContact CD1-CB 4.04Å; Y458-N493 HydrophobicContact CE1-CB 4.45Å; Y458-I533 HydrophobicContact CD1-CD1 4.09Å; Y458-I533 HydrophobicContact CD1-CG1 4.14Å; Y458-I533 HydrophobicContact CD2-CD1 4.28Å; Y458-I533 HydrophobicContact CD2-CG1 4.5Å; Y458-I533 HydrophobicContact CE1-CD1 4.47Å; Y458-I533 HydrophobicContact CE1-CG1 4.03Å; Y458-I533 HydrophobicContact CE2-CG1 4.4Å; Y458-I533 HydrophobicContact CE2-CG2 4.24Å; Y458-I533 HydrophobicContact CG-CD1 3.98Å; Y458-I533 HydrophobicContact CG-CG1 4.37Å; Y458-N537 PolarHBondContact OH-ND2 2.57Å
459F95.2Very high88.6Confident1 Ų153.6 Ų53.60%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-112.7113.8179.7179.6-103000109.7C428 V435 F438 L442 W461 F472 L476 N493 I494 Q495C428-F459 HydrophobicContact CB-CD2 3.98Å; C428-F459 WeakPolarHBondContact O-CA 3.39Å; V435-F459 HydrophobicContact CG2-CE2 4.32Å; V435-F459 HydrophobicContact CG2-CZ 3.77Å; F438-F459 HydrophobicContact CB-CD2 4.41Å; F438-F459 HydrophobicContact CB-CE2 3.74Å; F438-F459 HydrophobicContact CD2-CE2 4.14Å; F438-F459 HydrophobicContact CG-CD2 4.49Å; F438-F459 AromaticContact CG-CE2 3.97Å; F438-F459 HydrophobicContact CG-CE2 3.97Å; L442-F459 HydrophobicContact CD1-CD2 4.3Å; L442-F459 HydrophobicContact CD1-CE2 4.08Å; L442-F459 HydrophobicContact CD1-CZ 4.23Å; F459-W461 HydrophobicContact CE1-CB 3.89Å; F459-W461 HydrophobicContact CE1-CE3 4.42Å; F459-W461 HydrophobicContact CZ-CB 3.99Å; F459-W461 HydrophobicContact CZ-CG 4.42Å; F459-F472 HydrophobicContact CZ-CE1 4.1Å; F459-L476 HydrophobicContact CD1-CD2 4.03Å; F459-L476 HydrophobicContact CE1-CD1 4.14Å; F459-L476 HydrophobicContact CE1-CD2 3.78Å; F459-N493 PolarHBondContact N-O 3.5Å; F459-I494 HydrophobicContact CB-CG1 4.5Å; F459-I494 HydrophobicContact CD1-CG1 4.35Å; F459-I494 HydrophobicContact CD1-CG2 4.17Å; F459-I494 CarbonylContact O-C 3.4Å; F459-I494 WeakPolarHBondContact O-CA 3.49Å; F459-Q495 PolarHBondContact O-N 2.86Å
460I94.9Very high88.4Confident3 Ų357.1 Ų57.12%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-118.2120.7-178.9-56.7173.6000108.4L427 C428 V429 A430 V462 Q495 Y497 P524 W526 L529L427-I460 HydrophobicContact CD1-CD1 3.69Å; L427-I460 HydrophobicContact CD1-CG1 4.26Å; C428-I460 PolarHBondContact O-N 3.04Å; V429-I460 CarbonylContact C-O 3.58Å; V429-I460 WeakPolarHBondContact CA-O 3.24Å; V429-I460 HydrophobicContact CG1-CB 4.5Å; V429-I460 HydrophobicContact CG2-CB 4.42Å; V429-I460 HydrophobicContact CG2-CD1 4.46Å; A430-I460 PolarHBondContact N-O 2.85Å; I460-V462 HydrophobicContact CG2-CG2 4.34Å; I460-Q495 WeakPolarHBondContact CA-O 3.37Å; I460-Q495 HydrophobicContact CG1-CB 4.5Å; I460-Y497 HydrophobicContact CG2-CD2 3.8Å; I460-Y497 HydrophobicContact CG2-CE2 3.8Å; I460-P524 HydrophobicContact CG2-CG 4.48Å; I460-W526 HydrophobicContact CD1-CZ3 4Å; I460-W526 HydrophobicContact CG2-CH2 3.87Å; I460-W526 HydrophobicContact CG2-CZ3 4.05Å; I460-L529 HydrophobicContact CD1-CD1 3.42Å; I460-L529 VanDerWaalsContact CD1-CD1 3.42Å; I460-L529 HydrophobicContact CD1-CD2 3.45Å; I460-L529 VanDerWaalsContact CD1-CD2 3.45Å; I460-L529 HydrophobicContact CD1-CG 4.06Å; I460-L529 HydrophobicContact CG1-CD1 4.43Å
461W93.6Very high88.2Confident1 Ų151 Ų510%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-123.8121.2178.7-171.818.2000111.3A430 G432 V435 F459 C463 S468 F469 F472 L476 Q495 L496 Y497A430-W461 HydrophobicContact CB-CB 4.36Å; A430-W461 HydrophobicContact CB-CG 4.06Å; G432-W461 PolarHBondContact O-NE1 3.04Å; V435-W461 HydrophobicContact CB-CD2 4.18Å; V435-W461 HydrophobicContact CB-CZ2 3.91Å; V435-W461 HydrophobicContact CG1-CH2 4.16Å; V435-W461 HydrophobicContact CG1-CZ2 3.55Å; V435-W461 HydrophobicContact CG2-CD2 3.97Å; V435-W461 HydrophobicContact CG2-CE3 4.25Å; V435-W461 HydrophobicContact CG2-CG 4.42Å; V435-W461 HydrophobicContact CG2-CH2 4.47Å; V435-W461 HydrophobicContact CG2-CZ2 4.2Å; V435-W461 HydrophobicContact CG2-CZ3 4.5Å; F459-W461 HydrophobicContact CE1-CB 3.89Å; F459-W461 HydrophobicContact CE1-CE3 4.42Å; F459-W461 HydrophobicContact CZ-CB 3.99Å; F459-W461 HydrophobicContact CZ-CG 4.42Å; W461-C463 PolarHBondContact NE1-SG 3.33Å; W461-S468 WeakPolarHBondContact CH2-O 3.22Å; W461-F469 HydrophobicContact CB-CE1 4.33Å; W461-F469 AromaticContact CD2-CD1 3.84Å; W461-F469 HydrophobicContact CD2-CD1 3.84Å; W461-F469 AromaticContact CD2-CE1 3.67Å; W461-F469 HydrophobicContact CD2-CE1 3.67Å; W461-F469 AromaticContact CE3-CD1 3.37Å; W461-F469 HydrophobicContact CE3-CD1 3.37Å; W461-F469 AromaticContact CE3-CE1 3.63Å; W461-F469 HydrophobicContact CE3-CE1 3.63Å; W461-F469 HydrophobicContact CG-CE1 4.01Å; W461-F469 AromaticContact CH2-CD1 3.95Å; W461-F469 HydrophobicContact CH2-CD1 3.95Å; W461-F469 HydrophobicContact CZ2-CD1 4.37Å; W461-F469 HydrophobicContact CZ3-CB 4.4Å; W461-F469 AromaticContact CZ3-CD1 3.42Å; W461-F469 HydrophobicContact CZ3-CD1 3.42Å; W461-F469 VanDerWaalsContact CZ3-CD1 3.42Å; W461-F469 HydrophobicContact CZ3-CE1 4.13Å; W461-F469 HydrophobicContact CZ3-CG 4.35Å; W461-F472 HydrophobicContact CE3-CD1 4.29Å; W461-F472 HydrophobicContact CH2-CB 3.61Å; W461-F472 HydrophobicContact CH2-CD1 4.4Å; W461-F472 HydrophobicContact CH2-CG 4.29Å; W461-F472 HydrophobicContact CZ3-CB 3.6Å; W461-F472 AromaticContact CZ3-CD1 3.85Å; W461-F472 HydrophobicContact CZ3-CD1 3.85Å; W461-F472 HydrophobicContact CZ3-CG 4.11Å; W461-L476 HydrophobicContact CE3-CD1 4.38Å; W461-L476 HydrophobicContact CZ3-CD1 4.46Å; W461-Q495 PolarHBondContact N-O 3.38Å; W461-L496 HydrophobicContact CB-CD2 3.97Å; W461-L496 HydrophobicContact CE3-CD2 4.02Å; W461-Y497 PolarHBondContact O-N 3.03Å
462V92.4Very high88Confident21 Ų2147 Ų4713%0.12720%0.198CC..EExtended strand (participates in β ladder)trans-108.4119.1-178.9-1690000109.7A430 G431 G432 I460 Y497 P524 W526A430-V462 PolarHBondContact O-N 3.38Å; G431-V462 WeakPolarHBondContact CA-O 3.37Å; G432-V462 PolarHBondContact N-O 3.1Å; I460-V462 HydrophobicContact CG2-CG2 4.34Å; V462-Y497 WeakPolarHBondContact CA-O 3.31Å; V462-P524 HydrophobicContact CG2-CG 3.72Å; V462-W526 HydrophobicContact CG2-CH2 4.05Å; V462-W526 HydrophobicContact CG2-CZ2 4.06Å
463C88.8Confident87.9Confident2 Ų243.7 Ų43.71%0.01419%0.186CC..EExtended strand (participates in β ladder)trans-122.4160.6176.7-72.60000111.6W461 F469 Y497 S499W461-C463 PolarHBondContact NE1-SG 3.33Å; C463-F469 HydrophobicContact CB-CD2 4.47Å; C463-F469 HydrophobicContact CB-CE1 4.04Å; C463-F469 HydrophobicContact CB-CE2 3.77Å; C463-F469 HydrophobicContact CB-CZ 3.52Å; C463-Y497 PolarHBondContact N-O 3.44Å; C463-S499 WeakPolarHBondContact O-CB 3.39Å; C463-S499 PolarHBondContact O-N 3.35Å; C463-S499 PolarHBondContact O-OG 3.32Å
464R85.4Confident87.8Confident171 Ų17140.1 Ų40.165%0.64517%0.173SC*.SBendtrans-83-47.6168.9-70.3-176.2-179.5175.7-1.4110.1L498 S499R464-L498 WeakPolarHBondContact O-CD1 3.49Å; R464-S499 WeakPolarHBondContact CA-OG 3.28Å
465D82.7Confident87.7Confident75 Ų7540.6 Ų40.640%0.40118%0.175SC..  trans-107.7143-173.2-46.3-61.9000112.1Q467 S468D465-Q467 VanDerWaalsContact C-N 3.25Å; D465-Q467 PolarHBondContact O-N 3.32Å; D465-S468 WeakPolarHBondContact O-CB 3.4Å; D465-S468 PolarHBondContact O-N 3.46Å
466I82Confident87.7Confident34 Ų3432.4 Ų32.417%0.17415%0.145CC..THydrogen-bonded Turntrans-66.9-30.3176.6-164.7166.2000112.1S468 F469 L498 I508 L519I466-S468 PolarHBondContact O-N 3.43Å; I466-F469 HydrophobicContact CG1-CD2 4.44Å; I466-F469 WeakPolarHBondContact O-CB 3.32Å; I466-F469 PolarHBondContact O-N 2.03Å; I466-L498 HydrophobicContact CB-CD1 4.31Å; I466-I508 HydrophobicContact CD1-CG1 4.2Å; I466-I508 HydrophobicContact CG1-CG1 4.03Å; I466-L519 HydrophobicContact CD1-CD2 4.47Å
467Q81.1Confident87.5Confident67 Ų6730.5 Ų30.531%0.31314%0.14SC..Hα-helixtrans-60.9-31.1178.7-62.7-58.3-2800112.4P318 D465 F469 R470P318-Q467 HydrophobicContact CB-CB 4.18Å; D465-Q467 VanDerWaalsContact C-N 3.25Å; D465-Q467 PolarHBondContact O-N 3.32Å; Q467-F469 PolarHBondContact O-N 3.43Å; Q467-R470 VanDerWaalsContact NE2-CZ 3.35Å; Q467-R470 WeakPolarHBondContact O-CB 3.46Å; Q467-R470 PolarHBondContact O-N 3.25Å; Q467-R470 VanDerWaalsContact O-N 3.14Å; Q467-R470 VanDerWaalsContact OE1-NE 3.07Å
468S82.7Confident87.2Confident15 Ų1535.1 Ų35.111%0.10516%0.162CC..Hα-helixtrans-63.5-24.6177.4-66.10000112.8S319 W461 D465 I466 W471S319-S468 PolarHBondContact OG-N 3.2Å; S319-S468 PolarHBondContact OG-OG 2.78Å; S319-S468 VanDerWaalsContact OG-OG 3.11Å; W461-S468 WeakPolarHBondContact CH2-O 3.22Å; D465-S468 WeakPolarHBondContact O-CB 3.4Å; D465-S468 PolarHBondContact O-N 3.46Å; I466-S468 PolarHBondContact O-N 3.43Å; S468-W471 VanDerWaalsContact O-CD1 3.25Å; S468-W471 PolarHBondContact O-NE1 3.24Å; S468-W471 VanDerWaalsContact O-NE1 3.13Å
469F84.7Confident87Confident1 Ų134.6 Ų34.60%0.00416%0.16CC..Hα-helixtrans-74.9-24.5177.2-66.3-65.6000113W461 C463 I466 Q467 W471 F472 A473 L496 L498 I508 L519W461-F469 HydrophobicContact CB-CE1 4.33Å; W461-F469 AromaticContact CD2-CD1 3.84Å; W461-F469 HydrophobicContact CD2-CD1 3.84Å; W461-F469 AromaticContact CD2-CE1 3.67Å; W461-F469 HydrophobicContact CD2-CE1 3.67Å; W461-F469 AromaticContact CE3-CD1 3.37Å; W461-F469 HydrophobicContact CE3-CD1 3.37Å; W461-F469 AromaticContact CE3-CE1 3.63Å; W461-F469 HydrophobicContact CE3-CE1 3.63Å; W461-F469 HydrophobicContact CG-CE1 4.01Å; W461-F469 AromaticContact CH2-CD1 3.95Å; W461-F469 HydrophobicContact CH2-CD1 3.95Å; W461-F469 HydrophobicContact CZ2-CD1 4.37Å; W461-F469 HydrophobicContact CZ3-CB 4.4Å; W461-F469 AromaticContact CZ3-CD1 3.42Å; W461-F469 HydrophobicContact CZ3-CD1 3.42Å; W461-F469 VanDerWaalsContact CZ3-CD1 3.42Å; W461-F469 HydrophobicContact CZ3-CE1 4.13Å; W461-F469 HydrophobicContact CZ3-CG 4.35Å; C463-F469 HydrophobicContact CB-CD2 4.47Å; C463-F469 HydrophobicContact CB-CE1 4.04Å; C463-F469 HydrophobicContact CB-CE2 3.77Å; C463-F469 HydrophobicContact CB-CZ 3.52Å; I466-F469 HydrophobicContact CG1-CD2 4.44Å; I466-F469 WeakPolarHBondContact O-CB 3.32Å; I466-F469 PolarHBondContact O-N 2.03Å; Q467-F469 PolarHBondContact O-N 3.43Å; F469-W471 PolarHBondContact O-N 2.96Å; F469-F472 PolarHBondContact O-N 3.48Å; F469-A473 WeakPolarHBondContact O-CB 3.17Å; F469-A473 PolarHBondContact O-N 3.14Å; F469-L496 HydrophobicContact CD1-CD1 4.17Å; F469-L496 HydrophobicContact CD1-CD2 4.09Å; F469-L496 HydrophobicContact CD1-CG 4.5Å; F469-L496 HydrophobicContact CE1-CB 3.99Å; F469-L496 HydrophobicContact CE1-CD1 4.44Å; F469-L496 HydrophobicContact CE1-CD2 3.89Å; F469-L496 HydrophobicContact CE1-CG 4.32Å; F469-L496 HydrophobicContact CZ-CB 4.14Å; F469-L498 HydrophobicContact CE2-CD1 4.18Å; F469-I508 HydrophobicContact CB-CD1 4.01Å; F469-I508 HydrophobicContact CB-CG1 4.39Å; F469-I508 HydrophobicContact CB-CG2 4.47Å; F469-I508 HydrophobicContact CG-CD1 4.39Å; F469-L519 HydrophobicContact CE2-CD1 4.09Å; F469-L519 HydrophobicContact CZ-CD1 4.44Å
470R81.1Confident86.7Confident104 Ų10435.7 Ų35.739%0.39217%0.165SC..Hα-helixtrans-61.8-46.5-168.1-71.4-171.5175.5173.2-2.2113.7Q467 F472 A473 I508Q467-R470 VanDerWaalsContact NE2-CZ 3.35Å; Q467-R470 WeakPolarHBondContact O-CB 3.46Å; Q467-R470 PolarHBondContact O-N 3.25Å; Q467-R470 VanDerWaalsContact O-N 3.14Å; Q467-R470 VanDerWaalsContact OE1-NE 3.07Å; R470-F472 PolarHBondContact O-N 2.82Å; R470-A473 PolarHBondContact O-N 3.05Å; R470-I508 HydrophobicContact CG-CG2 4.16Å
471W78.9Confident86.5Confident30 Ų3039.3 Ų39.311%0.11419%0.185CC..Hα-helixtrans-68.1-18.3-175.967.8-93.4000113.7H317 H370 I433 V435 T436 S468 F469H317-W471 HydrophobicContact CB-CB 3.9Å; H317-W471 HydrophobicContact CB-CG 4.26Å; H317-W471 VanDerWaalsContact ND1-CB 3.27Å; H317-W471 WeakPolarHBondContact ND1-CB 3.15Å; H370-W471 HydrophobicContact CB-CH2 4.38Å; H370-W471 HydrophobicContact CB-CZ3 4.46Å; H370-W471 AromaticContact CD2-CE3 3.42Å; H370-W471 VanDerWaalsContact CD2-CE3 3.42Å; H370-W471 AromaticContact CD2-CH2 3.93Å; H370-W471 AromaticContact CD2-CZ3 3.25Å; H370-W471 WeakPolarHBondContact CD2-CZ3 3.42Å; H370-W471 AromaticContact CG-CZ3 3.81Å; H370-W471 AromaticContact NE2-CE3 3.52Å; H370-W471 AromaticContact NE2-CZ3 3.49Å; H370-W471 WeakPolarHBondContact NE2-CZ3 3.32Å; I433-W471 HydrophobicContact CD1-CZ2 4.29Å; V435-W471 HydrophobicContact CG1-CH2 3.59Å; V435-W471 HydrophobicContact CG1-CZ2 3.41Å; V435-W471 VanDerWaalsContact CG1-CZ2 3.41Å; T436-W471 HydrophobicContact CG2-CH2 4.12Å; S468-W471 VanDerWaalsContact O-CD1 3.25Å; S468-W471 PolarHBondContact O-NE1 3.24Å; S468-W471 VanDerWaalsContact O-NE1 3.13Å; F469-W471 PolarHBondContact O-N 2.96Å
472F83.1Confident86.4Confident4 Ų441 Ų412%0.01819%0.192CC..Hα-helixtrans-109-9.3-179.9-153.3-110.9000113.1V435 A439 L442 F459 W461 F469 R470 D474 L475 L476V435-F472 HydrophobicContact CG2-CD1 3.84Å; V435-F472 HydrophobicContact CG2-CE1 3.68Å; V435-F472 HydrophobicContact CG2-CG 4.34Å; V435-F472 HydrophobicContact CG2-CZ 4.07Å; A439-F472 HydrophobicContact CB-CD2 4.46Å; A439-F472 HydrophobicContact CB-CE2 3.38Å; A439-F472 HydrophobicContact CB-CZ 3.88Å; L442-F472 HydrophobicContact CD1-CE1 3.49Å; L442-F472 VanDerWaalsContact CD1-CE1 3.49Å; L442-F472 HydrophobicContact CD1-CZ 3.62Å; F459-F472 HydrophobicContact CZ-CE1 4.1Å; W461-F472 HydrophobicContact CE3-CD1 4.29Å; W461-F472 HydrophobicContact CH2-CB 3.61Å; W461-F472 HydrophobicContact CH2-CD1 4.4Å; W461-F472 HydrophobicContact CH2-CG 4.29Å; W461-F472 HydrophobicContact CZ3-CB 3.6Å; W461-F472 AromaticContact CZ3-CD1 3.85Å; W461-F472 HydrophobicContact CZ3-CD1 3.85Å; W461-F472 HydrophobicContact CZ3-CG 4.11Å; F469-F472 PolarHBondContact O-N 3.48Å; R470-F472 PolarHBondContact O-N 2.82Å; F472-D474 PolarHBondContact O-N 3.35Å; F472-L475 HydrophobicContact CD2-CD2 4.34Å; F472-L475 HydrophobicContact CE2-CD2 3.58Å; F472-L475 HydrophobicContact CZ-CD2 3.69Å; F472-L475 PolarHBondContact O-N 2.93Å; F472-L476 HydrophobicContact CD1-CD1 3.9Å; F472-L476 HydrophobicContact CD1-CD2 4.13Å; F472-L476 HydrophobicContact CD1-CG 3.77Å; F472-L476 HydrophobicContact CE1-CD1 4.47Å; F472-L476 HydrophobicContact CE1-CD2 3.9Å; F472-L476 HydrophobicContact CE1-CG 4.04Å; F472-L476 WeakPolarHBondContact O-CG 3.12Å; F472-L476 PolarHBondContact O-N 2.74Å; F472-L476 VanDerWaalsContact O-N 3.17Å
473A85.4Confident86.3Confident1 Ų140.2 Ų40.21%0.00819%0.187CC..Hα-helixtrans-63.4-40.1-177.700000112.3F469 R470 L475 L476 C477 I508 Y512 L515F469-A473 WeakPolarHBondContact O-CB 3.17Å; F469-A473 PolarHBondContact O-N 3.14Å; R470-A473 PolarHBondContact O-N 3.05Å; A473-L475 PolarHBondContact O-N 3.2Å; A473-L476 PolarHBondContact O-N 2.88Å; A473-C477 WeakPolarHBondContact O-CB 3.45Å; A473-C477 PolarHBondContact O-N 2.9Å; A473-I508 HydrophobicContact CB-CG2 4.21Å; A473-Y512 HydrophobicContact CB-CD1 3.76Å; A473-Y512 HydrophobicContact CB-CD2 4.38Å; A473-Y512 HydrophobicContact CB-CE1 3.62Å; A473-Y512 HydrophobicContact CB-CE2 4.25Å; A473-Y512 HydrophobicContact CB-CG 4.15Å; A473-L515 HydrophobicContact CB-CD1 3.95Å
474D87Confident86.3Confident66 Ų6647.8 Ų47.835%0.35322%0.216SC..Hα-helixtrans-59.5-45.5178-74.5-33.1000111.4F472 C477 M478 K511 Y512F472-D474 PolarHBondContact O-N 3.35Å; D474-C477 PolarHBondContact O-N 2.88Å; D474-M478 WeakPolarHBondContact O-CG 3.41Å; D474-M478 PolarHBondContact O-N 2.99Å; D474-K511 IonicContact OD1-NZ 3.59Å; D474-K511 PolarHBondContact OD1-NZ 3.04Å; D474-K511 IonicContact OD2-NZ 3.82Å; D474-Y512 VanDerWaalsContact CG-OH 3.31Å; D474-Y512 WeakPolarHBondContact OD1-CE1 3.45Å; D474-Y512 PolarHBondContact OD1-OH 2.87Å
475L88.3Confident86.6Confident15 Ų1547.5 Ų47.58%0.07922%0.221CC..Hα-helixtrans-62.2-45.9177.3178.558.2000111.9L442 N443 L446 F472 A473 C477 M478 L479L442-L475 HydrophobicContact CB-CD2 4.1Å; N443-L475 WeakPolarHBondContact OD1-CD1 3.42Å; N443-L475 WeakPolarHBondContact OD1-CD2 3.22Å; L446-L475 HydrophobicContact CD2-CD1 3.85Å; F472-L475 HydrophobicContact CD2-CD2 4.34Å; F472-L475 HydrophobicContact CE2-CD2 3.58Å; F472-L475 HydrophobicContact CZ-CD2 3.69Å; F472-L475 PolarHBondContact O-N 2.93Å; A473-L475 PolarHBondContact O-N 3.2Å; L475-C477 VanDerWaalsContact C-N 3.33Å; L475-C477 PolarHBondContact O-N 2.9Å; L475-M478 HydrophobicContact CD1-CE 4.33Å; L475-M478 PolarHBondContact O-N 3.44Å; L475-L479 WeakPolarHBondContact O-CB 3.02Å; L475-L479 PolarHBondContact O-N 3.36Å
476L90.3Very high86.9Confident0 Ų047.6 Ų47.60%022%0.22CC..Hα-helixtrans-62.7-40.1179-68.6176.7000112L442 F459 W461 F472 A473 H480 I494 L496 L515L442-L476 HydrophobicContact CD1-CD2 3.84Å; F459-L476 HydrophobicContact CD1-CD2 4.03Å; F459-L476 HydrophobicContact CE1-CD1 4.14Å; F459-L476 HydrophobicContact CE1-CD2 3.78Å; W461-L476 HydrophobicContact CE3-CD1 4.38Å; W461-L476 HydrophobicContact CZ3-CD1 4.46Å; F472-L476 HydrophobicContact CD1-CD1 3.9Å; F472-L476 HydrophobicContact CD1-CD2 4.13Å; F472-L476 HydrophobicContact CD1-CG 3.77Å; F472-L476 HydrophobicContact CE1-CD1 4.47Å; F472-L476 HydrophobicContact CE1-CD2 3.9Å; F472-L476 HydrophobicContact CE1-CG 4.04Å; F472-L476 WeakPolarHBondContact O-CG 3.12Å; F472-L476 PolarHBondContact O-N 2.74Å; F472-L476 VanDerWaalsContact O-N 3.17Å; A473-L476 PolarHBondContact O-N 2.88Å; L476-H480 VanDerWaalsContact O-CB 3.31Å; L476-H480 WeakPolarHBondContact O-CB 3.49Å; L476-H480 PolarHBondContact O-N 3.42Å; L476-I494 HydrophobicContact CB-CD1 4.25Å; L476-I494 HydrophobicContact CD2-CD1 3.99Å; L476-I494 HydrophobicContact CD2-CG1 4.43Å; L476-L496 HydrophobicContact CD1-CD2 4.2Å; L476-L515 HydrophobicContact CB-CD1 3.95Å; L476-L515 HydrophobicContact CB-CD2 3.92Å
477C89Confident87.2Confident15 Ų1552.8 Ų52.810%0.10125%0.247CC..Hα-helixtrans-66.7-45.6175.6-88.40000112.4A473 D474 L475 L479 H480 N481 L515A473-C477 WeakPolarHBondContact O-CB 3.45Å; A473-C477 PolarHBondContact O-N 2.9Å; D474-C477 PolarHBondContact O-N 2.88Å; L475-C477 VanDerWaalsContact C-N 3.33Å; L475-C477 PolarHBondContact O-N 2.9Å; C477-L479 VanDerWaalsContact C-N 3.29Å; C477-L479 PolarHBondContact O-N 3.03Å; C477-H480 PolarHBondContact O-N 3.26Å; C477-N481 WeakPolarHBondContact O-CB 3.45Å; C477-N481 VanDerWaalsContact O-CG 3.22Å; C477-N481 PolarHBondContact O-N 3.34Å; C477-N481 PolarHBondContact O-ND2 2.96Å; C477-L515 VanDerWaalsContact SG-CD1 3.53Å
478M90.1Very high87.6Confident100 Ų10055.8 Ų55.849%0.49326%0.256SS..Hα-helixtrans-58.4-44.5175.9-73.3-173.6-64.500111.2L446 D474 L475 N481 K482L446-M478 HydrophobicContact CD1-CB 4.07Å; L446-M478 HydrophobicContact CD2-CB 4.28Å; L446-M478 HydrophobicContact CD2-CE 4.23Å; D474-M478 WeakPolarHBondContact O-CG 3.41Å; D474-M478 PolarHBondContact O-N 2.99Å; L475-M478 HydrophobicContact CD1-CE 4.33Å; L475-M478 PolarHBondContact O-N 3.44Å; M478-N481 PolarHBondContact O-N 3.04Å; M478-K482 WeakPolarHBondContact O-CB 3.38Å; M478-K482 PolarHBondContact O-N 2.89Å
479L90.4Very high87.7Confident0 Ų057.1 Ų57.10%027%0.265CS..Hα-helixtrans-64.7-44.6178.4-168.471.9000112L442 L445 L446 L475 C477 K482 F483 V492L442-L479 HydrophobicContact CB-CD2 4.24Å; L442-L479 HydrophobicContact CD2-CD2 3.38Å; L442-L479 HydrophobicContact CG-CD2 4.34Å; L445-L479 HydrophobicContact CB-CD1 3.99Å; L446-L479 HydrophobicContact CB-CD1 4.08Å; L446-L479 HydrophobicContact CD1-CD1 4.24Å; L475-L479 WeakPolarHBondContact O-CB 3.02Å; L475-L479 PolarHBondContact O-N 3.36Å; C477-L479 VanDerWaalsContact C-N 3.29Å; C477-L479 PolarHBondContact O-N 3.03Å; L479-K482 PolarHBondContact O-N 2.87Å; L479-F483 HydrophobicContact CD1-CD2 4.15Å; L479-F483 HydrophobicContact CD1-CE2 3.56Å; L479-F483 HydrophobicContact CG-CD2 4.02Å; L479-F483 HydrophobicContact CG-CE2 3.83Å; L479-F483 VanDerWaalsContact O-CD2 3.27Å; L479-F483 WeakPolarHBondContact O-CD2 3.33Å; L479-F483 PolarHBondContact O-N 3.42Å; L479-V492 HydrophobicContact CD2-CG1 4.11Å; L479-V492 HydrophobicContact CD2-CG2 4.08Å; L479-V492 HydrophobicContact CG-CG2 4.4Å
480H89.6Confident87.8Confident24 Ų2462.3 Ų62.311%0.11129%0.292CS..Hα-helixtrans-60.3-47.7177.5-177.167.8000111.5L476 C477 K482 F483 W484L476-H480 VanDerWaalsContact O-CB 3.31Å; L476-H480 WeakPolarHBondContact O-CB 3.49Å; L476-H480 PolarHBondContact O-N 3.42Å; C477-H480 PolarHBondContact O-N 3.26Å; H480-K482 PolarHBondContact O-N 3.32Å; H480-F483 PolarHBondContact O-N 2.97Å; H480-W484 WeakPolarHBondContact O-CB 3.16Å; H480-W484 PolarHBondContact O-N 2.91Å
481N89.8Confident88.2Confident80 Ų8057.8 Ų57.843%0.42828%0.275SS..Hα-helixtrans-64.4-40.2179.7-69.2-11.7000111.8C477 M478 W484 Q485C477-N481 WeakPolarHBondContact O-CB 3.45Å; C477-N481 VanDerWaalsContact O-CG 3.22Å; C477-N481 PolarHBondContact O-N 3.34Å; C477-N481 PolarHBondContact O-ND2 2.96Å; M478-N481 PolarHBondContact O-N 3.04Å; N481-W484 WeakPolarHBondContact O-CB 3.3Å; N481-W484 PolarHBondContact O-N 2.84Å; N481-Q485 WeakPolarHBondContact O-CB 3.36Å; N481-Q485 VanDerWaalsContact O-CG 3.29Å; N481-Q485 WeakPolarHBondContact O-CG 3.46Å; N481-Q485 PolarHBondContact O-N 2.9Å
482K90.9Very high88.8Confident37 Ų3756.5 Ų56.516%0.16127%0.271CS..Hα-helixtrans-56.6-52.8175.5180-179.3177.8-178.20111.5L445 L446 D447 M478 L479 H480 W484 Q485 E486L445-K482 PolarHBondContact O-NZ 3.44Å; L446-K482 VanDerWaalsContact C-NZ 3.31Å; L446-K482 HydrophobicContact CD1-CB 4.35Å; L446-K482 HydrophobicContact CD1-CD 4.01Å; L446-K482 PolarHBondContact O-NZ 3.44Å; D447-K482 PolarHBondContact O-NZ 3.32Å; M478-K482 WeakPolarHBondContact O-CB 3.38Å; M478-K482 PolarHBondContact O-N 2.89Å; L479-K482 PolarHBondContact O-N 2.87Å; H480-K482 PolarHBondContact O-N 3.32Å; K482-W484 VanDerWaalsContact C-N 3.3Å; K482-W484 PolarHBondContact O-N 3.27Å; K482-Q485 PolarHBondContact O-N 3.07Å; K482-E486 WeakPolarHBondContact CE-OE1 3.39Å; K482-E486 WeakPolarHBondContact O-CG 3.19Å; K482-E486 PolarHBondContact O-N 3.08Å
483F90.6Very high89.2Confident3 Ų358 Ų581%0.01328%0.279CS..Hα-helixtrans-70.5-27-179.2-75-62.2000113.5W449 L479 H480 N487 R488 Y491 V492W449-F483 HydrophobicContact CB-CZ 4.26Å; W449-F483 AromaticContact CD1-CE1 3.64Å; W449-F483 AromaticContact CD1-CZ 3.92Å; W449-F483 HydrophobicContact CD2-CE1 4.21Å; W449-F483 AromaticContact CG-CE1 3.91Å; W449-F483 HydrophobicContact CG-CE1 3.91Å; W449-F483 HydrophobicContact CG-CZ 4.07Å; W449-F483 AromaticContact NE1-CE1 3.78Å; L479-F483 HydrophobicContact CD1-CD2 4.15Å; L479-F483 HydrophobicContact CD1-CE2 3.56Å; L479-F483 HydrophobicContact CG-CD2 4.02Å; L479-F483 HydrophobicContact CG-CE2 3.83Å; L479-F483 VanDerWaalsContact O-CD2 3.27Å; L479-F483 WeakPolarHBondContact O-CD2 3.33Å; L479-F483 PolarHBondContact O-N 3.42Å; H480-F483 PolarHBondContact O-N 2.97Å; F483-N487 PolarHBondContact O-N 3.25Å; F483-R488 CarbonylContact O-C 3.35Å; F483-R488 PolarHBondContact O-N 3.37Å; F483-Y491 AromaticContact CD1-CD1 3.96Å; F483-Y491 HydrophobicContact CD1-CD1 3.96Å; F483-Y491 HydrophobicContact CD1-CG 4.07Å; F483-Y491 HydrophobicContact CD2-CD1 4.27Å; F483-Y491 AromaticContact CE1-CD1 3.37Å; F483-Y491 HydrophobicContact CE1-CD1 3.37Å; F483-Y491 AromaticContact CE1-CE1 3.82Å; F483-Y491 HydrophobicContact CE1-CE1 3.82Å; F483-Y491 AromaticContact CE1-CG 3.8Å; F483-Y491 HydrophobicContact CE1-CG 3.8Å; F483-Y491 AromaticContact CE2-CD1 3.71Å; F483-Y491 HydrophobicContact CE2-CD1 3.71Å; F483-Y491 HydrophobicContact CE2-CE1 4.22Å; F483-Y491 HydrophobicContact CG-CD1 4.39Å; F483-Y491 AromaticContact CZ-CD1 3.23Å; F483-Y491 HydrophobicContact CZ-CD1 3.23Å; F483-Y491 AromaticContact CZ-CE1 3.48Å; F483-Y491 HydrophobicContact CZ-CE1 3.48Å; F483-Y491 VanDerWaalsContact CZ-CE1 3.48Å; F483-Y491 HydrophobicContact CZ-CG 4.13Å; F483-V492 HydrophobicContact CD2-CB 4.41Å; F483-V492 HydrophobicContact CD2-CG2 3.52Å; F483-V492 HydrophobicContact CE2-CG2 3.42Å; F483-V492 VanDerWaalsContact CE2-CG2 3.42Å; F483-V492 HydrophobicContact CG-CG2 4.47Å; F483-V492 HydrophobicContact CZ-CG2 4.32Å
484W89.1Confident89.5Confident162 Ų16258 Ų5861%0.61428%0.279SS*.Hα-helixtrans-65-46.2170.7-163.6-87.7000111.3H480 N481 K482 E486 N487 P489H480-W484 WeakPolarHBondContact O-CB 3.16Å; H480-W484 PolarHBondContact O-N 2.91Å; N481-W484 WeakPolarHBondContact O-CB 3.3Å; N481-W484 PolarHBondContact O-N 2.84Å; K482-W484 VanDerWaalsContact C-N 3.3Å; K482-W484 PolarHBondContact O-N 3.27Å; W484-E486 PolarHBondContact O-N 3.45Å; W484-N487 PolarHBondContact O-N 3.15Å; W484-N487 VanDerWaalsContact O-N 3.15Å; W484-P489 HydrophobicContact CE3-CB 3.61Å; W484-P489 HydrophobicContact CZ3-CB 3.69Å; W484-P489 HydrophobicContact CZ3-CG 4.5Å
485Q91.1Very high89.8Confident164 Ų16456.5 Ų56.577%0.76627%0.269SS*.Hα-helixtrans-65.1-36.4177-71.6172.8-0.400112.6N481 K482 N487N481-Q485 WeakPolarHBondContact O-CB 3.36Å; N481-Q485 VanDerWaalsContact O-CG 3.29Å; N481-Q485 WeakPolarHBondContact O-CG 3.46Å; N481-Q485 PolarHBondContact O-N 2.9Å; K482-Q485 PolarHBondContact O-N 3.07Å; Q485-N487 PolarHBondContact O-N 3.45Å
486E89.8Confident89.9Confident78 Ų7855.8 Ų55.836%0.36427%0.266SS..THydrogen-bonded Turntrans-78.48.6175.3-68.3-176.7-162.600113.8W449 K482 W484 R488W449-E486 PolarHBondContact NE1-OE2 3.33Å; K482-E486 WeakPolarHBondContact CE-OE1 3.39Å; K482-E486 WeakPolarHBondContact O-CG 3.19Å; K482-E486 PolarHBondContact O-N 3.08Å; W484-E486 PolarHBondContact O-N 3.45Å; E486-R488 VanDerWaalsContact C-N 3.27Å; E486-R488 PolarHBondContact O-N 2.85Å
487N88.8Confident90Very high142 Ų14257.1 Ų57.176%0.75927%0.271SS*.THydrogen-bonded Turntrans56.536.5179.9-157.317.5000113.9F483 W484 Q485 P489F483-N487 PolarHBondContact O-N 3.25Å; W484-N487 PolarHBondContact O-N 3.15Å; W484-N487 VanDerWaalsContact O-N 3.15Å; Q485-N487 PolarHBondContact O-N 3.45Å; N487-P489 VanDerWaalsContact C-CD 3.44Å
488R88.3Confident89.9Confident130 Ų13057.8 Ų57.849%0.49127%0.273SS..  trans-130.856.1176.3-64.4-167.6-179.9-158.10.7112.2F483 E486 D490 Y491F483-R488 CarbonylContact O-C 3.35Å; F483-R488 PolarHBondContact O-N 3.37Å; E486-R488 VanDerWaalsContact C-N 3.27Å; E486-R488 PolarHBondContact O-N 2.85Å; R488-D490 PolarHBondContact O-N 3.3Å; R488-D490 VanDerWaalsContact O-N 3.11Å; R488-Y491 WeakPolarHBondContact O-CB 3.35Å; R488-Y491 PolarHBondContact O-N 2.99Å; R488-Y491 VanDerWaalsContact O-N 3.07Å
489P85.8Confident89.6Confident44 Ų4454.8 Ų54.829%0.28626%0.263SS..G310 helixtrans-61.5-25.1-176.427.8-36.6000113.4W484 N487 Y491W484-P489 HydrophobicContact CE3-CB 3.61Å; W484-P489 HydrophobicContact CZ3-CB 3.69Å; W484-P489 HydrophobicContact CZ3-CG 4.5Å; N487-P489 VanDerWaalsContact C-CD 3.44Å; P489-Y491 VanDerWaalsContact C-N 3.29Å; P489-Y491 PolarHBondContact O-N 3.34Å
490D85.6Confident88.9Confident109 Ų10959 Ų5958%0.58328%0.282SS*.G310 helixtrans-77.6-8.8179.1-75.7-47.2000114.9R456 R488R456-D490 IonicContact NH2-OD1 3.75Å; R488-D490 PolarHBondContact O-N 3.3Å; R488-D490 VanDerWaalsContact O-N 3.11Å
491Y90.2Very high87.7Confident9 Ų962.4 Ų62.44%0.03531%0.305CS..G310 helixtrans-65.5-39.9-176.7-167.4-93.4000111.7L445 W449 L454 R455 L457 F483 R488 P489L445-Y491 HydrophobicContact CD2-CE1 4.21Å; W449-Y491 HydrophobicContact CB-CE1 4.45Å; W449-Y491 HydrophobicContact CE3-CE2 4.05Å; W449-Y491 HydrophobicContact CZ3-CE2 4.41Å; L454-Y491 WeakPolarHBondContact O-CE2 3.32Å; L454-Y491 VanDerWaalsContact O-CZ 3.31Å; L454-Y491 PolarHBondContact O-OH 3.12Å; R455-Y491 VanDerWaalsContact O-CD2 3.26Å; R455-Y491 WeakPolarHBondContact O-CD2 3.46Å; L457-Y491 PolarHBondContact N-O 3.37Å; F483-Y491 AromaticContact CD1-CD1 3.96Å; F483-Y491 HydrophobicContact CD1-CD1 3.96Å; F483-Y491 HydrophobicContact CD1-CG 4.07Å; F483-Y491 HydrophobicContact CD2-CD1 4.27Å; F483-Y491 AromaticContact CE1-CD1 3.37Å; F483-Y491 HydrophobicContact CE1-CD1 3.37Å; F483-Y491 AromaticContact CE1-CE1 3.82Å; F483-Y491 HydrophobicContact CE1-CE1 3.82Å; F483-Y491 AromaticContact CE1-CG 3.8Å; F483-Y491 HydrophobicContact CE1-CG 3.8Å; F483-Y491 AromaticContact CE2-CD1 3.71Å; F483-Y491 HydrophobicContact CE2-CD1 3.71Å; F483-Y491 HydrophobicContact CE2-CE1 4.22Å; F483-Y491 HydrophobicContact CG-CD1 4.39Å; F483-Y491 AromaticContact CZ-CD1 3.23Å; F483-Y491 HydrophobicContact CZ-CD1 3.23Å; F483-Y491 AromaticContact CZ-CE1 3.48Å; F483-Y491 HydrophobicContact CZ-CE1 3.48Å; F483-Y491 VanDerWaalsContact CZ-CE1 3.48Å; F483-Y491 HydrophobicContact CZ-CG 4.13Å; R488-Y491 WeakPolarHBondContact O-CB 3.35Å; R488-Y491 PolarHBondContact O-N 2.99Å; R488-Y491 VanDerWaalsContact O-N 3.07Å; P489-Y491 VanDerWaalsContact C-N 3.29Å; P489-Y491 PolarHBondContact O-N 3.34Å
492V91.3Very high86Confident3 Ų365.4 Ų65.42%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-123.8111.3177-172.40000110L457 L479 F483 I494L457-V492 HydrophobicContact CD2-CG1 4.34Å; L479-V492 HydrophobicContact CD2-CG1 4.11Å; L479-V492 HydrophobicContact CD2-CG2 4.08Å; L479-V492 HydrophobicContact CG-CG2 4.4Å; F483-V492 HydrophobicContact CD2-CB 4.41Å; F483-V492 HydrophobicContact CD2-CG2 3.52Å; F483-V492 HydrophobicContact CE2-CG2 3.42Å; F483-V492 VanDerWaalsContact CE2-CG2 3.42Å; F483-V492 HydrophobicContact CG-CG2 4.47Å; F483-V492 HydrophobicContact CZ-CG2 4.32Å; V492-I494 HydrophobicContact CG1-CD1 4.06Å; V492-I494 HydrophobicContact CG1-CG1 3.69Å
493N92Very high84.2Confident37 Ų3767.1 Ų67.120%0.19835%0.349CS..EExtended strand (participates in β ladder)trans-99.3103.6172-168.1-8.9000110.2L457 Y458 F459 R518L457-N493 PolarHBondContact O-N 3.41Å; Y458-N493 HydrophobicContact CD1-CB 4.04Å; Y458-N493 HydrophobicContact CE1-CB 4.45Å; F459-N493 PolarHBondContact N-O 3.5Å; N493-R518 PolarHBondContact OD1-NH1 3.22Å
494I92.3Very high82.6Confident1 Ų173.2 Ų73.21%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-92.8131.3179.1-62163.1000109.3F459 L476 V492 L496 L515 R518F459-I494 HydrophobicContact CB-CG1 4.5Å; F459-I494 HydrophobicContact CD1-CG1 4.35Å; F459-I494 HydrophobicContact CD1-CG2 4.17Å; F459-I494 CarbonylContact O-C 3.4Å; F459-I494 WeakPolarHBondContact O-CA 3.49Å; L476-I494 HydrophobicContact CB-CD1 4.25Å; L476-I494 HydrophobicContact CD2-CD1 3.99Å; L476-I494 HydrophobicContact CD2-CG1 4.43Å; V492-I494 HydrophobicContact CG1-CD1 4.06Å; V492-I494 HydrophobicContact CG1-CG1 3.69Å; I494-L496 HydrophobicContact CG2-CD2 4.03Å; I494-L496 HydrophobicContact CG2-CG 4.2Å; I494-L515 HydrophobicContact CD1-CD2 4.39Å; I494-L515 HydrophobicContact CG2-CD2 4.17Å; I494-R518 WeakPolarHBondContact O-CD 3.32Å; I494-R518 PolarHBondContact O-NH1 3.45Å
495Q92.4Very high81Confident33 Ų3373.4 Ų73.415%0.15439%0.388CS..EExtended strand (participates in β ladder)trans-133.4125169-60.4-175.3-0.100110F459 I460 W461 Y497 F520F459-Q495 PolarHBondContact O-N 2.86Å; I460-Q495 WeakPolarHBondContact CA-O 3.37Å; I460-Q495 HydrophobicContact CG1-CB 4.5Å; W461-Q495 PolarHBondContact N-O 3.38Å; Q495-Y497 HydrophobicContact CB-CD2 4.39Å; Q495-Y497 HydrophobicContact CB-CE2 3.72Å; Q495-Y497 PolarHBondContact OE1-OH 3.06Å; Q495-F520 HydrophobicContact CB-CD2 4.43Å; Q495-F520 HydrophobicContact CB-CE2 4.23Å; Q495-F520 HydrophobicContact CG-CE2 4.16Å
496L91.6Very high79.3Confident1 Ų173.4 Ų73.41%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-107.6137.1178.9-54.8180000108.8W461 F469 L476 I494 I508 L515 R518 L519 F520W461-L496 HydrophobicContact CB-CD2 3.97Å; W461-L496 HydrophobicContact CE3-CD2 4.02Å; F469-L496 HydrophobicContact CD1-CD1 4.17Å; F469-L496 HydrophobicContact CD1-CD2 4.09Å; F469-L496 HydrophobicContact CD1-CG 4.5Å; F469-L496 HydrophobicContact CE1-CB 3.99Å; F469-L496 HydrophobicContact CE1-CD1 4.44Å; F469-L496 HydrophobicContact CE1-CD2 3.89Å; F469-L496 HydrophobicContact CE1-CG 4.32Å; F469-L496 HydrophobicContact CZ-CB 4.14Å; L476-L496 HydrophobicContact CD1-CD2 4.2Å; I494-L496 HydrophobicContact CG2-CD2 4.03Å; I494-L496 HydrophobicContact CG2-CG 4.2Å; L496-I508 HydrophobicContact CD1-CD1 3.89Å; L496-L515 HydrophobicContact CD1-CB 4.2Å; L496-R518 PolarHBondContact N-O 3.49Å; L496-L519 HydrophobicContact CB-CD1 3.65Å; L496-L519 CarbonylContact O-C 3.59Å; L496-L519 WeakPolarHBondContact O-CA 3.39Å; L496-F520 PolarHBondContact O-N 2.84Å
497Y90.6Very high78Confident28 Ų2873.5 Ų73.511%0.1139%0.388CS..EExtended strand (participates in β ladder)trans-126.9123179.8-71.3-98.4000111I460 W461 V462 C463 Q495 F520 P524I460-Y497 HydrophobicContact CG2-CD2 3.8Å; I460-Y497 HydrophobicContact CG2-CE2 3.8Å; W461-Y497 PolarHBondContact O-N 3.03Å; V462-Y497 WeakPolarHBondContact CA-O 3.31Å; C463-Y497 PolarHBondContact N-O 3.44Å; Q495-Y497 HydrophobicContact CB-CD2 4.39Å; Q495-Y497 HydrophobicContact CB-CE2 3.72Å; Q495-Y497 PolarHBondContact OE1-OH 3.06Å; Y497-F520 CarbonylContact C-O 3.34Å; Y497-F520 VanDerWaalsContact CA-O 3.31Å; Y497-F520 WeakPolarHBondContact CA-O 3.23Å; Y497-F520 HydrophobicContact CD1-CB 3.65Å; Y497-F520 HydrophobicContact CE1-CB 3.65Å; Y497-F520 HydrophobicContact CE1-CD2 4.2Å; Y497-F520 HydrophobicContact CE1-CG 4.12Å; Y497-F520 HydrophobicContact CE2-CD2 4.27Å; Y497-F520 HydrophobicContact CG-CB 4.3Å; Y497-F520 AromaticContact CZ-CD2 3.98Å; Y497-P524 HydrophobicContact CD1-CB 4.14Å; Y497-P524 HydrophobicContact CD1-CG 3.63Å; Y497-P524 HydrophobicContact CD2-CB 4.42Å; Y497-P524 HydrophobicContact CD2-CG 3.7Å; Y497-P524 HydrophobicContact CE1-CB 3.88Å; Y497-P524 HydrophobicContact CE1-CG 3.89Å; Y497-P524 HydrophobicContact CE2-CB 4.17Å; Y497-P524 HydrophobicContact CE2-CG 3.94Å; Y497-P524 HydrophobicContact CG-CB 4.41Å; Y497-P524 HydrophobicContact CG-CG 3.53Å
498L88.3Confident76.7Confident28 Ų2866.9 Ų66.915%0.14735%0.352CS..EExtended strand (participates in β ladder)trans-98.2114.8175-171.771.9000109.6R464 I466 F469 Q500 L519 F520 G522R464-L498 WeakPolarHBondContact O-CD1 3.49Å; I466-L498 HydrophobicContact CB-CD1 4.31Å; F469-L498 HydrophobicContact CE2-CD1 4.18Å; L498-Q500 WeakPolarHBondContact CG-O 3.5Å; L498-L519 HydrophobicContact CB-CD1 4.42Å; L498-F520 PolarHBondContact N-O 3.24Å; L498-G522 PolarHBondContact O-N 2.75Å
499S83.3Confident75.5Confident38 Ų3861.9 Ų61.927%0.26634%0.341SS..  trans-87.8-22-171.459.80000115.2C463 R464C463-S499 WeakPolarHBondContact O-CB 3.39Å; C463-S499 PolarHBondContact O-N 3.35Å; C463-S499 PolarHBondContact O-OG 3.32Å; R464-S499 WeakPolarHBondContact CA-OG 3.28Å
500Q76.1Confident74.4Confident87 Ų8768.3 Ų68.341%0.40737%0.367SS..  trans-103.3147.7171.4-78.3176.3-31.100110.5L498L498-Q500 WeakPolarHBondContact CG-O 3.5Å
501T63.2Low73.7Confident96 Ų9670.4 Ų70.459%0.58937%0.371SS*.  trans-113.15.4-169.646.60000113.7G503 I521T501-G503 PolarHBondContact O-N 2.88Å; T501-I521 HydrophobicContact CG2-CG2 3.72Å
502D55.2Low73Confident144 Ų14471.2 Ų71.277%0.7738%0.375SS*.SBendtrans-75.7112.7-170-61.9-19.2000110.5
503G53.7Low72.1Confident73 Ų7378.1 Ų78.175%0.75341%0.406SS*.SBendtrans75.483.5172.500000113.9T501 Q505T501-G503 PolarHBondContact O-N 2.88Å; G503-Q505 PolarHBondContact O-N 3.39Å
504I56.7Low71.4Confident130 Ų13077.6 Ų77.667%0.66741%0.407SS*.  trans-57.5104.3177.9-61.4168.8000110.9K506I504-K506 HydrophobicContact CG2-CD 4.46Å; I504-K506 HydrophobicContact CG2-CG 3.65Å
505Q54.8Low70.8Confident166 Ų16677.6 Ų77.678%0.77641%0.407SS*.  trans-115.6110.1144.6-83.4178-7.100107.8G503 I507G503-Q505 PolarHBondContact O-N 3.39Å; Q505-I507 PolarHBondContact O-N 3.1Å
506K56.5Low70.2Confident165 Ų16577.5 Ų77.572%0.71741%0.408SS*.  trans-669.6-169.8-75.9179.5174.41740115.3I504I504-K506 HydrophobicContact CG2-CD 4.46Å; I504-K506 HydrophobicContact CG2-CG 3.65Å
507I60.7Low69.6Low79 Ų7981.5 Ų81.541%0.40544%0.436SS..  trans-144.2122.3-158.1-41.3-177.5000110.1Q505 G509 N516Q505-I507 PolarHBondContact O-N 3.1Å; I507-G509 VanDerWaalsContact CG2-O 3.28Å; I507-G509 WeakPolarHBondContact CG2-O 3.36Å; I507-G509 PolarHBondContact O-N 3.46Å; I507-N516 VanDerWaalsContact CG2-ND2 3.27Å; I507-N516 WeakPolarHBondContact CG2-ND2 3.21Å
508I61.5Low69.3Low4 Ų483.1 Ų83.12%0.02144%0.442CS..SBendtrans-63.3-30.3169.4-61169.4000109.6I466 F469 R470 A473 L496 Y512 L515 N516 L519I466-I508 HydrophobicContact CD1-CG1 4.2Å; I466-I508 HydrophobicContact CG1-CG1 4.03Å; F469-I508 HydrophobicContact CB-CD1 4.01Å; F469-I508 HydrophobicContact CB-CG1 4.39Å; F469-I508 HydrophobicContact CB-CG2 4.47Å; F469-I508 HydrophobicContact CG-CD1 4.39Å; R470-I508 HydrophobicContact CG-CG2 4.16Å; A473-I508 HydrophobicContact CB-CG2 4.21Å; L496-I508 HydrophobicContact CD1-CD1 3.89Å; I508-Y512 HydrophobicContact CB-CD2 4.25Å; I508-Y512 HydrophobicContact CG2-CD2 3.73Å; I508-Y512 HydrophobicContact CG2-CE2 4.26Å; I508-Y512 HydrophobicContact CG2-CG 4.29Å; I508-L515 HydrophobicContact CD1-CB 4.43Å; I508-N516 PolarHBondContact N-OD1 3.29Å; I508-N516 VanDerWaalsContact N-OD1 3.12Å; I508-L519 HydrophobicContact CG1-CD2 4.47Å
509G63.7Low69.3Low25 Ų2583.3 Ų83.326%0.25844%0.442SS..  trans163.6157.1171.700000109I507 K511 Y512 N516I507-G509 VanDerWaalsContact CG2-O 3.28Å; I507-G509 WeakPolarHBondContact CG2-O 3.36Å; I507-G509 PolarHBondContact O-N 3.46Å; G509-K511 PolarHBondContact O-N 2.98Å; G509-Y512 PolarHBondContact O-N 2.99Å; G509-N516 PolarHBondContact O-ND2 2.97Å
510E63.2Low69.5Low178 Ų17885.8 Ų85.883%0.83245%0.449SS*.G310 helixtrans-58.4-32.5178.4-69.1-175163.600112.2Y512 H513E510-Y512 PolarHBondContact O-N 2.94Å; E510-H513 PolarHBondContact O-N 3.22Å
511K69.6Low70Confident153 Ų15387.1 Ų87.167%0.66546%0.458SS*.G310 helixtrans-53.9-25.8173.5-169.3-173.3178.1-158.10113.7D474 G509D474-K511 IonicContact OD1-NZ 3.59Å; D474-K511 PolarHBondContact OD1-NZ 3.04Å; D474-K511 IonicContact OD2-NZ 3.82Å; G509-K511 PolarHBondContact O-N 2.98Å
512Y76Confident71.1Confident27 Ų2783.7 Ų83.711%0.10644%0.441CS..G310 helixtrans-107.634.1-171.3-55.9-67.1000113.6A473 D474 I508 G509 E510 A514 L515 N516A473-Y512 HydrophobicContact CB-CD1 3.76Å; A473-Y512 HydrophobicContact CB-CD2 4.38Å; A473-Y512 HydrophobicContact CB-CE1 3.62Å; A473-Y512 HydrophobicContact CB-CE2 4.25Å; A473-Y512 HydrophobicContact CB-CG 4.15Å; D474-Y512 VanDerWaalsContact CG-OH 3.31Å; D474-Y512 WeakPolarHBondContact OD1-CE1 3.45Å; D474-Y512 PolarHBondContact OD1-OH 2.87Å; I508-Y512 HydrophobicContact CB-CD2 4.25Å; I508-Y512 HydrophobicContact CG2-CD2 3.73Å; I508-Y512 HydrophobicContact CG2-CE2 4.26Å; I508-Y512 HydrophobicContact CG2-CG 4.29Å; G509-Y512 PolarHBondContact O-N 2.99Å; E510-Y512 PolarHBondContact O-N 2.94Å; Y512-A514 PolarHBondContact O-N 2.92Å; Y512-A514 VanDerWaalsContact O-N 3.13Å; Y512-L515 HydrophobicContact CD1-CD1 4.41Å; Y512-L515 PolarHBondContact O-N 3Å; Y512-N516 PolarHBondContact O-N 3.2Å; Y512-N516 PolarHBondContact O-ND2 3.3Å
513H73.8Confident72.6Confident147 Ų14786.7 Ų86.768%0.68144%0.441SS*.Hα-helixtrans-49.5-41.6-176.9-172.5-88.2000113.9E510 L515 N516 S517E510-H513 PolarHBondContact O-N 3.22Å; H513-L515 VanDerWaalsContact C-N 3.28Å; H513-L515 PolarHBondContact O-N 2.99Å; H513-N516 PolarHBondContact O-N 3.22Å; H513-S517 PolarHBondContact O-N 3.22Å
514A75.7Confident74.4Confident26 Ų2683.6 Ų83.622%0.21541%0.408CS..Hα-helixtrans-63.7-28.6178.800000114.2Y512 S517Y512-A514 PolarHBondContact O-N 2.92Å; Y512-A514 VanDerWaalsContact O-N 3.13Å; A514-S517 PolarHBondContact O-OG 3.3Å
515L80.3Confident76.1Confident1 Ų186.7 Ų86.71%0.00541%0.411CS..Hα-helixtrans-88-31.9177.1-62.4176.3000111.7A473 L476 C477 I494 L496 I508 Y512 H513 S517 R518 L519A473-L515 HydrophobicContact CB-CD1 3.95Å; L476-L515 HydrophobicContact CB-CD1 3.95Å; L476-L515 HydrophobicContact CB-CD2 3.92Å; C477-L515 VanDerWaalsContact SG-CD1 3.53Å; I494-L515 HydrophobicContact CD1-CD2 4.39Å; I494-L515 HydrophobicContact CG2-CD2 4.17Å; L496-L515 HydrophobicContact CD1-CB 4.2Å; I508-L515 HydrophobicContact CD1-CB 4.43Å; Y512-L515 HydrophobicContact CD1-CD1 4.41Å; Y512-L515 PolarHBondContact O-N 3Å; H513-L515 VanDerWaalsContact C-N 3.28Å; H513-L515 PolarHBondContact O-N 2.99Å; L515-S517 VanDerWaalsContact C-N 3.28Å; L515-S517 PolarHBondContact O-N 3.47Å; L515-R518 CarbonylContact O-C 3.52Å; L515-R518 WeakPolarHBondContact O-CA 3.4Å; L515-R518 PolarHBondContact O-N 3.02Å; L515-L519 PolarHBondContact O-N 3.37Å
516N78.8Confident77.9Confident31 Ų3180.3 Ų80.317%0.16638%0.38CS..Hα-helixtrans-61-37178.3-65.7-31.9000111.6I507 I508 G509 Y512 H513 R518 L519I507-N516 VanDerWaalsContact CG2-ND2 3.27Å; I507-N516 WeakPolarHBondContact CG2-ND2 3.21Å; I508-N516 PolarHBondContact N-OD1 3.29Å; I508-N516 VanDerWaalsContact N-OD1 3.12Å; G509-N516 PolarHBondContact O-ND2 2.97Å; Y512-N516 PolarHBondContact O-N 3.2Å; Y512-N516 PolarHBondContact O-ND2 3.3Å; H513-N516 PolarHBondContact O-N 3.22Å; N516-R518 PolarHBondContact O-N 3.23Å; N516-L519 PolarHBondContact O-N 2.82Å
517S79.3Confident79.6Confident85 Ų8577.6 Ų77.659%0.59437%0.368SS*.THydrogen-bonded Turntrans-68.5-15.1175.364.70000114.1H513 A514 L515H513-S517 PolarHBondContact O-N 3.22Å; A514-S517 PolarHBondContact O-OG 3.3Å; L515-S517 VanDerWaalsContact C-N 3.28Å; L515-S517 PolarHBondContact O-N 3.47Å
518R85.1Confident81.1Confident63 Ų6378 Ų7824%0.23837%0.371CS..THydrogen-bonded Turntrans-110.710.4-178.5-66.9170.7172.4-91.20.1112.4N493 I494 L496 L515 N516 F520N493-R518 PolarHBondContact OD1-NH1 3.22Å; I494-R518 WeakPolarHBondContact O-CD 3.32Å; I494-R518 PolarHBondContact O-NH1 3.45Å; L496-R518 PolarHBondContact N-O 3.49Å; L515-R518 CarbonylContact O-C 3.52Å; L515-R518 WeakPolarHBondContact O-CA 3.4Å; L515-R518 PolarHBondContact O-N 3.02Å; N516-R518 PolarHBondContact O-N 3.23Å; R518-F520 WeakPolarHBondContact O-CD2 3.18Å; R518-F520 WeakPolarHBondContact O-CE2 3.06Å
519L87.3Confident82.6Confident31 Ų3178.3 Ų78.316%0.16237%0.372CS..EExtended strand (participates in β ladder)trans-93.5120.1176.2-178.666.3000110I466 F469 L496 L498 I508 L515 N516I466-L519 HydrophobicContact CD1-CD2 4.47Å; F469-L519 HydrophobicContact CE2-CD1 4.09Å; F469-L519 HydrophobicContact CZ-CD1 4.44Å; L496-L519 HydrophobicContact CB-CD1 3.65Å; L496-L519 CarbonylContact O-C 3.59Å; L496-L519 WeakPolarHBondContact O-CA 3.39Å; L498-L519 HydrophobicContact CB-CD1 4.42Å; I508-L519 HydrophobicContact CG1-CD2 4.47Å; L515-L519 PolarHBondContact O-N 3.37Å; N516-L519 PolarHBondContact O-N 2.82Å
520F88.3Confident84Confident90 Ų9077.4 Ų77.440%0.39536%0.362SS..EExtended strand (participates in β ladder)trans-111.2143.7179-59.7-78.6000110.5Q495 L496 Y497 L498 R518Q495-F520 HydrophobicContact CB-CD2 4.43Å; Q495-F520 HydrophobicContact CB-CE2 4.23Å; Q495-F520 HydrophobicContact CG-CE2 4.16Å; L496-F520 PolarHBondContact O-N 2.84Å; Y497-F520 CarbonylContact C-O 3.34Å; Y497-F520 VanDerWaalsContact CA-O 3.31Å; Y497-F520 WeakPolarHBondContact CA-O 3.23Å; Y497-F520 HydrophobicContact CD1-CB 3.65Å; Y497-F520 HydrophobicContact CE1-CB 3.65Å; Y497-F520 HydrophobicContact CE1-CD2 4.2Å; Y497-F520 HydrophobicContact CE1-CG 4.12Å; Y497-F520 HydrophobicContact CE2-CD2 4.27Å; Y497-F520 HydrophobicContact CG-CB 4.3Å; Y497-F520 AromaticContact CZ-CD2 3.98Å; L498-F520 PolarHBondContact N-O 3.24Å; R518-F520 WeakPolarHBondContact O-CD2 3.18Å; R518-F520 WeakPolarHBondContact O-CE2 3.06Å
521I85.8Confident85.4Confident116 Ų11672 Ų7260%0.59534%0.338SS*.EExtended strand (participates in β ladder)trans-96136177-59.9172.9000109.1T501T501-I521 HydrophobicContact CG2-CG2 3.72Å
522G86.6Confident86.5Confident23 Ų2369.7 Ų69.724%0.23733%0.33CS..SBendtrans97.3-174.6-179.600000113.5L498L498-G522 PolarHBondContact O-N 2.75Å
523R87.1Confident87.3Confident207 Ų20768.7 Ų68.778%0.78133%0.326SS*.  trans-82.9140.6-178.4-64.2-175.4-176.8-1693.3110.6R525R523-R525 PolarHBondContact O-N 3.41Å
524P90.6Very high88.2Confident8 Ų861.7 Ų61.75%0.05229%0.294CS..  trans-58.1134.8175.4-20.829.8000111.5I460 V462 Y497 W526I460-P524 HydrophobicContact CG2-CG 4.48Å; V462-P524 HydrophobicContact CG2-CG 3.72Å; Y497-P524 HydrophobicContact CD1-CB 4.14Å; Y497-P524 HydrophobicContact CD1-CG 3.63Å; Y497-P524 HydrophobicContact CD2-CB 4.42Å; Y497-P524 HydrophobicContact CD2-CG 3.7Å; Y497-P524 HydrophobicContact CE1-CB 3.88Å; Y497-P524 HydrophobicContact CE1-CG 3.89Å; Y497-P524 HydrophobicContact CE2-CB 4.17Å; Y497-P524 HydrophobicContact CE2-CG 3.94Å; Y497-P524 HydrophobicContact CG-CB 4.41Å; Y497-P524 HydrophobicContact CG-CG 3.53Å; P524-W526 HydrophobicContact CB-CD2 3.93Å; P524-W526 HydrophobicContact CB-CE3 4.04Å; P524-W526 HydrophobicContact CB-CH2 3.83Å; P524-W526 HydrophobicContact CB-CZ2 3.71Å; P524-W526 HydrophobicContact CB-CZ3 4Å; P524-W526 HydrophobicContact CG-CH2 3.6Å; P524-W526 HydrophobicContact CG-CZ2 3.43Å; P524-W526 VanDerWaalsContact CG-CZ2 3.43Å; P524-W526 HydrophobicContact CG-CZ3 4.25Å; P524-W526 PolarHBondContact O-N 3.1Å
525R92.6Very high89Confident195 Ų19565.6 Ų65.674%0.73631%0.306SS*.  trans-77.677170.2-66.4-176.1-179.7-175.50.4109.1R523 K527 L528 L529R523-R525 PolarHBondContact O-N 3.41Å; R525-K527 PolarHBondContact O-N 2.9Å; R525-K527 VanDerWaalsContact O-N 3.09Å; R525-L528 HydrophobicContact CB-CB 4.32Å; R525-L528 HydrophobicContact CB-CD1 3.97Å; R525-L528 HydrophobicContact CB-CG 4.31Å; R525-L528 HydrophobicContact CG-CD1 4.45Å; R525-L528 PolarHBondContact O-N 3.42Å; R525-L528 VanDerWaalsContact O-N 3.08Å; R525-L529 PolarHBondContact O-N 3.25Å; R525-L529 VanDerWaalsContact O-N 3.12Å
526W92.8Very high89.5Confident33 Ų3373.1 Ų73.113%0.12534%0.335CS..Hα-helixtrans-51.3-38.6-171-62.1113.9000114.6V429 I460 V462 P524 L529 F530 L552 T555 L556 L559V429-W526 HydrophobicContact CG1-CH2 3.42Å; V429-W526 VanDerWaalsContact CG1-CH2 3.42Å; V429-W526 HydrophobicContact CG1-CZ2 4.33Å; V429-W526 HydrophobicContact CG1-CZ3 3.85Å; V429-W526 HydrophobicContact CG2-CZ3 4.2Å; I460-W526 HydrophobicContact CD1-CZ3 4Å; I460-W526 HydrophobicContact CG2-CH2 3.87Å; I460-W526 HydrophobicContact CG2-CZ3 4.05Å; V462-W526 HydrophobicContact CG2-CH2 4.05Å; V462-W526 HydrophobicContact CG2-CZ2 4.06Å; P524-W526 HydrophobicContact CB-CD2 3.93Å; P524-W526 HydrophobicContact CB-CE3 4.04Å; P524-W526 HydrophobicContact CB-CH2 3.83Å; P524-W526 HydrophobicContact CB-CZ2 3.71Å; P524-W526 HydrophobicContact CB-CZ3 4Å; P524-W526 HydrophobicContact CG-CH2 3.6Å; P524-W526 HydrophobicContact CG-CZ2 3.43Å; P524-W526 VanDerWaalsContact CG-CZ2 3.43Å; P524-W526 HydrophobicContact CG-CZ3 4.25Å; P524-W526 PolarHBondContact O-N 3.1Å; W526-L529 PolarHBondContact O-N 3.44Å; W526-F530 WeakPolarHBondContact O-CB 3.01Å; W526-F530 VanDerWaalsContact O-CD2 3.23Å; W526-F530 WeakPolarHBondContact O-CD2 3.47Å; W526-F530 PolarHBondContact O-N 3.43Å; W526-L552 HydrophobicContact CD2-CD1 4.45Å; W526-L552 VanDerWaalsContact CE2-CD1 3.47Å; W526-L552 HydrophobicContact CH2-CD1 3.91Å; W526-L552 HydrophobicContact CZ2-CD1 3.15Å; W526-T555 HydrophobicContact CG-CG2 4.45Å; W526-L556 HydrophobicContact CD2-CD2 3.89Å; W526-L556 HydrophobicContact CE3-CD2 3.61Å; W526-L556 HydrophobicContact CG-CD2 4.4Å; W526-L556 HydrophobicContact CZ3-CD2 4.04Å; W526-L559 HydrophobicContact CB-CD1 3.35Å; W526-L559 HydrophobicContact CG-CD1 4.41Å
527K91.9Very high90.1Very high108 Ų10872.1 Ų72.147%0.4733%0.33SS..Hα-helixtrans-62.5-50.4179.5-172.3178.3178.5-176.20111.8R525 L529 F530 D531 L559R525-K527 PolarHBondContact O-N 2.9Å; R525-K527 VanDerWaalsContact O-N 3.09Å; K527-L529 VanDerWaalsContact C-N 3.3Å; K527-L529 PolarHBondContact O-N 2.91Å; K527-F530 PolarHBondContact O-N 2.94Å; K527-D531 WeakPolarHBondContact O-CB 3.25Å; K527-D531 VanDerWaalsContact O-CG 3.24Å; K527-D531 PolarHBondContact O-N 3.34Å; K527-L559 HydrophobicContact CB-CD2 4.34Å; K527-L559 HydrophobicContact CG-CD2 4.49Å
528L92.9Very high90.6Very high86 Ų8675.6 Ų75.645%0.4533%0.33SS..Hα-helixtrans-61-42.7178.3-64.3177.3000111.1R525 F530 D531 E532R525-L528 HydrophobicContact CB-CB 4.32Å; R525-L528 HydrophobicContact CB-CD1 3.97Å; R525-L528 HydrophobicContact CB-CG 4.31Å; R525-L528 HydrophobicContact CG-CD1 4.45Å; R525-L528 PolarHBondContact O-N 3.42Å; R525-L528 VanDerWaalsContact O-N 3.08Å; L528-F530 PolarHBondContact O-N 3.24Å; L528-D531 PolarHBondContact O-N 3.3Å; L528-E532 WeakPolarHBondContact O-CB 3.4Å; L528-E532 WeakPolarHBondContact O-CG 3.4Å; L528-E532 PolarHBondContact O-N 3.09Å
529L92.8Very high90.7Very high11 Ų1175.5 Ų75.56%0.05835%0.349CS..Hα-helixtrans-64.8-40.5179.5-171.6143.3000112.2L427 I460 R525 W526 K527 I533L427-L529 HydrophobicContact CD1-CD2 4.45Å; I460-L529 HydrophobicContact CD1-CD1 3.42Å; I460-L529 VanDerWaalsContact CD1-CD1 3.42Å; I460-L529 HydrophobicContact CD1-CD2 3.45Å; I460-L529 VanDerWaalsContact CD1-CD2 3.45Å; I460-L529 HydrophobicContact CD1-CG 4.06Å; I460-L529 HydrophobicContact CG1-CD1 4.43Å; R525-L529 PolarHBondContact O-N 3.25Å; R525-L529 VanDerWaalsContact O-N 3.12Å; W526-L529 PolarHBondContact O-N 3.44Å; K527-L529 VanDerWaalsContact C-N 3.3Å; K527-L529 PolarHBondContact O-N 2.91Å; L529-I533 HydrophobicContact CD2-CD1 3.48Å; L529-I533 VanDerWaalsContact CD2-CD1 3.48Å; L529-I533 HydrophobicContact CD2-CG1 4.38Å; L529-I533 HydrophobicContact CG-CD1 4.31Å; L529-I533 WeakPolarHBondContact O-CB 3.48Å; L529-I533 VanDerWaalsContact O-CG1 3.25Å; L529-I533 WeakPolarHBondContact O-CG1 3.5Å; L529-I533 PolarHBondContact O-N 3.12Å
530F93.8Very high90.9Very high7 Ų778.1 Ų78.13%0.03136%0.359CS..Hα-helixtrans-65.7-40.1173.6-91-116000111.7L427 W526 K527 L528 I533 A534 V544 L556 L559 F570L427-F530 HydrophobicContact CD2-CD2 4.45Å; L427-F530 HydrophobicContact CD2-CE2 3.8Å; L427-F530 HydrophobicContact CD2-CZ 3.88Å; W526-F530 WeakPolarHBondContact O-CB 3.01Å; W526-F530 VanDerWaalsContact O-CD2 3.23Å; W526-F530 WeakPolarHBondContact O-CD2 3.47Å; W526-F530 PolarHBondContact O-N 3.43Å; K527-F530 PolarHBondContact O-N 2.94Å; L528-F530 PolarHBondContact O-N 3.24Å; F530-I533 PolarHBondContact O-N 2.82Å; F530-A534 VanDerWaalsContact O-CB 3.27Å; F530-A534 WeakPolarHBondContact O-CB 3.11Å; F530-A534 PolarHBondContact O-N 3.47Å; F530-V544 HydrophobicContact CE1-CG2 4.33Å; F530-V544 HydrophobicContact CZ-CG1 4.19Å; F530-V544 HydrophobicContact CZ-CG2 4.38Å; F530-L556 HydrophobicContact CE2-CD2 3.54Å; F530-L556 HydrophobicContact CZ-CD2 3.85Å; F530-L559 HydrophobicContact CD1-CB 3.98Å; F530-L559 HydrophobicContact CD2-CD1 4.27Å; F530-L559 HydrophobicContact CE1-CB 4Å; F530-L559 HydrophobicContact CE2-CD1 4.45Å; F530-L559 HydrophobicContact CG-CB 4.26Å; F530-L559 HydrophobicContact CZ-CB 4.3Å; F530-F570 HydrophobicContact CD1-CD1 4.11Å; F530-F570 HydrophobicContact CD1-CD2 4.13Å; F530-F570 HydrophobicContact CD1-CE1 4.04Å; F530-F570 HydrophobicContact CD1-CE2 4.06Å; F530-F570 HydrophobicContact CD1-CG 4.16Å; F530-F570 HydrophobicContact CD1-CZ 4.01Å; F530-F570 HydrophobicContact CE1-CD1 4.01Å; F530-F570 HydrophobicContact CE1-CD2 4.5Å; F530-F570 HydrophobicContact CE1-CE1 4.32Å; F530-F570 HydrophobicContact CE1-CG 4.1Å
531D92.3Very high91Very high64 Ų6475.7 Ų75.734%0.34235%0.351SS..Hα-helixtrans-65.5-40.7177.8-69.9-27.6000111.5K527 L528 A534 K535K527-D531 WeakPolarHBondContact O-CB 3.25Å; K527-D531 VanDerWaalsContact O-CG 3.24Å; K527-D531 PolarHBondContact O-N 3.34Å; L528-D531 PolarHBondContact O-N 3.3Å; D531-A534 PolarHBondContact O-N 2.9Å; D531-K535 WeakPolarHBondContact O-CB 3.25Å; D531-K535 PolarHBondContact O-N 2.86Å
532E92.9Very high91.4Very high105 Ų10570.1 Ų70.149%0.49132%0.323SS..Hα-helixtrans-62.7-50.3173.2-76.5175.1-172.700111.4L528 A534 K535 Y536L528-E532 WeakPolarHBondContact O-CB 3.4Å; L528-E532 WeakPolarHBondContact O-CG 3.4Å; L528-E532 PolarHBondContact O-N 3.09Å; E532-A534 VanDerWaalsContact C-N 3.27Å; E532-A534 PolarHBondContact O-N 3.37Å; E532-K535 WeakPolarHBondContact O-CB 3.4Å; E532-K535 PolarHBondContact O-N 3.49Å; E532-K535 VanDerWaalsContact O-N 3.12Å; E532-Y536 WeakPolarHBondContact O-CD2 3.43Å; E532-Y536 PolarHBondContact O-N 3.1Å
533I92.7Very high91.7Very high5 Ų569 Ų693%0.02631%0.312CS..Hα-helixtrans-60.5-39.9177.2-68.9174.5000110.4L427 Y458 L529 F530 Y536 N537 V542 F570L427-I533 HydrophobicContact CD1-CD1 3.82Å; L427-I533 HydrophobicContact CD2-CD1 3.97Å; L427-I533 HydrophobicContact CG-CD1 4.4Å; Y458-I533 HydrophobicContact CD1-CD1 4.09Å; Y458-I533 HydrophobicContact CD1-CG1 4.14Å; Y458-I533 HydrophobicContact CD2-CD1 4.28Å; Y458-I533 HydrophobicContact CD2-CG1 4.5Å; Y458-I533 HydrophobicContact CE1-CD1 4.47Å; Y458-I533 HydrophobicContact CE1-CG1 4.03Å; Y458-I533 HydrophobicContact CE2-CG1 4.4Å; Y458-I533 HydrophobicContact CE2-CG2 4.24Å; Y458-I533 HydrophobicContact CG-CD1 3.98Å; Y458-I533 HydrophobicContact CG-CG1 4.37Å; L529-I533 HydrophobicContact CD2-CD1 3.48Å; L529-I533 VanDerWaalsContact CD2-CD1 3.48Å; L529-I533 HydrophobicContact CD2-CG1 4.38Å; L529-I533 HydrophobicContact CG-CD1 4.31Å; L529-I533 WeakPolarHBondContact O-CB 3.48Å; L529-I533 VanDerWaalsContact O-CG1 3.25Å; L529-I533 WeakPolarHBondContact O-CG1 3.5Å; L529-I533 PolarHBondContact O-N 3.12Å; F530-I533 PolarHBondContact O-N 2.82Å; I533-Y536 PolarHBondContact O-N 3.01Å; I533-N537 WeakPolarHBondContact O-CB 3.47Å; I533-N537 PolarHBondContact O-N 2.95Å; I533-N537 VanDerWaalsContact O-N 3.08Å; I533-N537 PolarHBondContact O-ND2 3.29Å; I533-V542 HydrophobicContact CG2-CG1 4.44Å; I533-V542 HydrophobicContact CG2-CG2 4.25Å; I533-F570 HydrophobicContact CG2-CE1 3.9Å; I533-F570 HydrophobicContact CG2-CZ 4.23Å
534A92.6Very high92Very high0 Ų059.2 Ų59.20%027%0.274CS..Hα-helixtrans-63.7-43.4175.400000111.6F530 D531 E532 Y536 N537 R538 N564 Y566 T568 F570F530-A534 VanDerWaalsContact O-CB 3.27Å; F530-A534 WeakPolarHBondContact O-CB 3.11Å; F530-A534 PolarHBondContact O-N 3.47Å; D531-A534 PolarHBondContact O-N 2.9Å; E532-A534 VanDerWaalsContact C-N 3.27Å; E532-A534 PolarHBondContact O-N 3.37Å; A534-Y536 PolarHBondContact O-N 3.36Å; A534-N537 CarbonylContact O-C 3.57Å; A534-N537 PolarHBondContact O-N 3.01Å; A534-R538 PolarHBondContact O-N 3.41Å; A534-N564 HydrophobicContact CB-CB 4.35Å; A534-Y566 HydrophobicContact CB-CD2 3.73Å; A534-Y566 HydrophobicContact CB-CG 4.44Å; A534-T568 WeakPolarHBondContact CA-OG1 3.33Å; A534-T568 PolarHBondContact O-OG1 2.7Å; A534-F570 HydrophobicContact CB-CE2 4.09Å; A534-F570 HydrophobicContact CB-CZ 4.01Å
535K92.9Very high92.2Very high109 Ų10958.8 Ų58.847%0.47427%0.272SS..Hα-helixtrans-60.1-42.2178.6-176.1-178.6177-176.40112.6D531 E532 R538 Y566D531-K535 WeakPolarHBondContact O-CB 3.25Å; D531-K535 PolarHBondContact O-N 2.86Å; E532-K535 WeakPolarHBondContact O-CB 3.4Å; E532-K535 PolarHBondContact O-N 3.49Å; E532-K535 VanDerWaalsContact O-N 3.12Å; K535-R538 VanDerWaalsContact O-CG 3.26Å; K535-R538 WeakPolarHBondContact O-CG 3.4Å; K535-R538 PolarHBondContact O-NE 3.18Å; K535-Y566 HydrophobicContact CB-CD2 4.31Å; K535-Y566 HydrophobicContact CB-CE1 4.15Å; K535-Y566 HydrophobicContact CB-CE2 3.91Å; K535-Y566 HydrophobicContact CG-CE1 4.05Å
536Y90.6Very high92.3Very high159 Ų15949.5 Ų49.562%0.62424%0.237SC*.Hα-helixtrans-76.3-23.6178.7-73.2-67.4000113.6E532 I533 A534E532-Y536 WeakPolarHBondContact O-CD2 3.43Å; E532-Y536 PolarHBondContact O-N 3.1Å; I533-Y536 PolarHBondContact O-N 3.01Å; A534-Y536 PolarHBondContact O-N 3.36Å
537N91.2Very high92.2Very high9 Ų948.5 Ų48.55%0.04824%0.235CC..SBendtrans-120.352.6-173.9-55.1-73.2000111.5I425 Y458 I533 A534 G539 K540 V542 T568I425-N537 HydrophobicContact CD1-CB 3.73Å; I425-N537 WeakPolarHBondContact CD1-OD1 3.26Å; Y458-N537 PolarHBondContact OH-ND2 2.57Å; I533-N537 WeakPolarHBondContact O-CB 3.47Å; I533-N537 PolarHBondContact O-N 2.95Å; I533-N537 VanDerWaalsContact O-N 3.08Å; I533-N537 PolarHBondContact O-ND2 3.29Å; A534-N537 CarbonylContact O-C 3.57Å; A534-N537 PolarHBondContact O-N 3.01Å; N537-G539 PolarHBondContact O-N 3.36Å; N537-K540 HydrophobicContact CB-CB 4.39Å; N537-K540 PolarHBondContact O-N 2.87Å; N537-V542 HydrophobicContact CB-CG2 4.35Å; N537-T568 HydrophobicContact CB-CG2 4.48Å; N537-T568 WeakPolarHBondContact O-CG2 3.25Å; N537-T568 PolarHBondContact O-OG1 3.21Å
538R90.1Very high92.1Very high159 Ų15944.4 Ų44.460%0.622%0.223SC*.THydrogen-bonded Turntrans-59.3132.8-177-56.8-171.6179-179.8-3.8111.7A534 K535 K540 Y566A534-R538 PolarHBondContact O-N 3.41Å; K535-R538 VanDerWaalsContact O-CG 3.26Å; K535-R538 WeakPolarHBondContact O-CG 3.4Å; K535-R538 PolarHBondContact O-NE 3.18Å; R538-K540 PolarHBondContact O-N 3.42Å; R538-Y566 HydrophobicContact CG-CD1 4.49Å
539G86.9Confident91.9Very high61 Ų6143.7 Ų43.763%0.62922%0.223SC*.THydrogen-bonded Turntrans653179.200000116N537 Y566N537-G539 PolarHBondContact O-N 3.36Å; G539-Y566 PolarHBondContact N-O 3.18Å
540K90.9Very high91.6Very high85 Ų8547.9 Ų47.937%0.3725%0.246SC..  trans-94.8164.3179.7-66.1-170.6176.9-169.50112.1I425 N537 R538 T568 R569I425-K540 HydrophobicContact CD1-CB 3.87Å; I425-K540 HydrophobicContact CD1-CD 3.53Å; I425-K540 HydrophobicContact CD1-CG 4.35Å; N537-K540 HydrophobicContact CB-CB 4.39Å; N537-K540 PolarHBondContact O-N 2.87Å; R538-K540 PolarHBondContact O-N 3.42Å; K540-T568 WeakPolarHBondContact O-CA 3.19Å; K540-T568 WeakPolarHBondContact O-CG2 3.26Å; K540-R569 PolarHBondContact O-N 3.5Å
541T91.1Very high91.4Very high39 Ų3951.6 Ų51.624%0.23927%0.273CS..EExtended strand (participates in β ladder)trans-101.8125.5173.4-57.90000110Y423 R569 E571Y423-T541 HydrophobicContact CE1-CG2 4.37Å; T541-R569 CarbonylContact C-O 3.39Å; T541-R569 WeakPolarHBondContact CA-O 3.5Å; T541-R569 HydrophobicContact CG2-CB 4.37Å; T541-R569 PolarHBondContact OG1-NH2 3.15Å; T541-E571 HydrophobicContact CG2-CG 3.88Å; T541-E571 WeakPolarHBondContact CG2-OE1 3.44Å
542V93.4Very high91.3Very high0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-108.4122.8178.3179.20000109.1I425 L427 I533 N537 V544 T568 R569 F570 E571I425-V542 HydrophobicContact CB-CG2 4.17Å; I425-V542 HydrophobicContact CD1-CG2 4.46Å; I425-V542 HydrophobicContact CG2-CB 4.46Å; I425-V542 HydrophobicContact CG2-CG1 4.07Å; I425-V542 HydrophobicContact CG2-CG2 3.89Å; I425-V542 WeakPolarHBondContact O-CA 3.36Å; L427-V542 HydrophobicContact CB-CG1 3.99Å; I533-V542 HydrophobicContact CG2-CG1 4.44Å; I533-V542 HydrophobicContact CG2-CG2 4.25Å; N537-V542 HydrophobicContact CB-CG2 4.35Å; V542-V544 HydrophobicContact CG1-CG2 4.46Å; V542-T568 HydrophobicContact CG2-CG2 3.86Å; V542-R569 PolarHBondContact N-O 3.04Å; V542-F570 HydrophobicContact CB-CD1 3.75Å; V542-F570 HydrophobicContact CB-CE1 3.91Å; V542-F570 HydrophobicContact CG1-CD1 3.99Å; V542-F570 HydrophobicContact CG1-CE1 4.04Å; V542-F570 HydrophobicContact CG2-CD1 4.43Å; V542-F570 HydrophobicContact CG2-CE1 4.13Å; V542-F570 WeakPolarHBondContact O-CA 3.29Å; V542-E571 PolarHBondContact O-N 3.43Å
543G93.3Very high91.2Very high0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-80.1117.417200000110.2I425 S426 L427 F545I425-G543 PolarHBondContact O-N 3.05Å; S426-G543 CarbonylContact C-O 3.58Å; S426-G543 WeakPolarHBondContact CA-O 3.35Å; L427-G543 PolarHBondContact N-O 3.01Å; G543-F545 WeakPolarHBondContact O-CD2 3.44Å
544V94.6Very high91.1Very high0 Ų052.1 Ų52.10%027%0.272CS..EExtended strand (participates in β ladder)trans-100.3111179-176.30000108.9L427 F530 V542 F570 E571 Y572 N573L427-V544 HydrophobicContact CB-CG2 4.36Å; L427-V544 HydrophobicContact CD2-CG1 4.15Å; L427-V544 HydrophobicContact CD2-CG2 4.15Å; L427-V544 HydrophobicContact CG-CG1 4.41Å; L427-V544 CarbonylContact O-C 3.52Å; L427-V544 WeakPolarHBondContact O-CA 3.31Å; F530-V544 HydrophobicContact CE1-CG2 4.33Å; F530-V544 HydrophobicContact CZ-CG1 4.19Å; F530-V544 HydrophobicContact CZ-CG2 4.38Å; V542-V544 HydrophobicContact CG1-CG2 4.46Å; V544-F570 HydrophobicContact CG2-CB 4.03Å; V544-F570 HydrophobicContact CG2-CD1 3.72Å; V544-F570 HydrophobicContact CG2-CG 4.33Å; V544-E571 PolarHBondContact N-O 3.3Å; V544-Y572 HydrophobicContact CB-CD2 4.3Å; V544-Y572 HydrophobicContact CG1-CD2 3.95Å; V544-Y572 HydrophobicContact CG1-CE2 4.42Å; V544-N573 PolarHBondContact O-N 3.35Å
545F94.3Very high91.1Very high0 Ų055.1 Ų55.10%029%0.29CS..EExtended strand (participates in β ladder)trans-107.6122.5-179.9-60.4-86.2000109.4P416 F417 S420 Y423 L427 V429 F438 G543 N573P416-F545 WeakPolarHBondContact O-CE1 3.45Å; F417-F545 HydrophobicContact CD1-CB 4.35Å; F417-F545 HydrophobicContact CD2-CD1 4.32Å; F417-F545 HydrophobicContact CE1-CB 4.03Å; F417-F545 HydrophobicContact CE2-CB 4.4Å; F417-F545 HydrophobicContact CE2-CD1 4.48Å; F417-F545 HydrophobicContact CG-CD1 4.38Å; F417-F545 HydrophobicContact CZ-CB 4.02Å; S420-F545 VanDerWaalsContact CA-CZ 3.42Å; Y423-F545 HydrophobicContact CD2-CE2 4.13Å; Y423-F545 AromaticContact CD2-CZ 3.81Å; Y423-F545 HydrophobicContact CD2-CZ 3.81Å; Y423-F545 HydrophobicContact CE2-CE2 4.36Å; Y423-F545 AromaticContact CE2-CZ 3.68Å; Y423-F545 HydrophobicContact CE2-CZ 3.68Å; L427-F545 PolarHBondContact O-N 3.37Å; V429-F545 PolarHBondContact N-O 3.2Å; F438-F545 HydrophobicContact CE1-CB 3.91Å; F438-F545 HydrophobicContact CZ-CB 4.16Å; G543-F545 WeakPolarHBondContact O-CD2 3.44Å; F545-N573 WeakPolarHBondContact CA-O 3.13Å; F545-N573 HydrophobicContact CD1-CB 3.7Å; F545-N573 HydrophobicContact CE1-CB 3.86Å; F545-N573 WeakPolarHBondContact CE1-ND2 3.44Å
546C93.9Very high91.1Very high0 Ų049.9 Ų49.90%027%0.268CS..EExtended strand (participates in β ladder)trans-126.7123-176.4173.10000110.9V429 L556 Y572 N573 K574 E575V429-C546 WeakPolarHBondContact O-CA 3.38Å; C546-L556 HydrophobicContact CB-CD1 3.88Å; C546-Y572 HydrophobicContact CB-CE2 3.71Å; C546-Y572 WeakPolarHBondContact CB-OH 3.3Å; C546-N573 PolarHBondContact N-O 3.36Å; C546-K574 WeakPolarHBondContact O-CA 3.43Å; C546-E575 PolarHBondContact O-N 3.01Å; C546-E575 VanDerWaalsContact O-N 3.1Å
547C91.8Very high91.2Very high12 Ų1244.9 Ų44.98%0.08125%0.25CC..EExtended strand (participates in β ladder)trans-129114.6169.1-175.70000109F417 V429 A430 G431 G434 P437 F438F417-C547 HydrophobicContact CE1-CB 4.11Å; F417-C547 HydrophobicContact CZ-CB 3.79Å; V429-C547 PolarHBondContact O-N 3.37Å; A430-C547 CarbonylContact C-O 3.6Å; A430-C547 WeakPolarHBondContact CA-O 3.49Å; G431-C547 PolarHBondContact N-O 2.99Å; G434-C547 WeakPolarHBondContact CA-SG 3.23Å; G434-C547 VanDerWaalsContact O-CB 3.25Å; G434-C547 WeakPolarHBondContact O-CB 3.26Å; P437-C547 HydrophobicContact CG-CB 4.25Å; F438-C547 HydrophobicContact CE2-CB 4.4Å
548G89.7Confident91.1Very high21 Ų2151.1 Ų51.122%0.21628%0.276CS..SBendtrans161.7-166.7-173.700000113.9
549P87.9Confident91.2Very high71 Ų7144.4 Ų44.446%0.46125%0.253SS..  trans-56.8147.8-174.9-26.134.3000114.2S551 L552 S553P549-S551 PolarHBondContact O-N 3.41Å; P549-L552 WeakPolarHBondContact O-CB 3.48Å; P549-L552 PolarHBondContact O-N 3.4Å; P549-L552 VanDerWaalsContact O-N 3.12Å; P549-S553 PolarHBondContact O-N 3.23Å
550N86.6Confident91.4Very high100 Ų10041.5 Ų41.554%0.53522%0.223SC..Hα-helixtrans-59.2-32.3-178.7-77.9-32.1000113.5S553 K554 K574N550-S553 PolarHBondContact O-N 3.27Å; N550-K554 WeakPolarHBondContact O-CB 3.25Å; N550-K554 VanDerWaalsContact O-CG 3.26Å; N550-K554 WeakPolarHBondContact O-CG 3.44Å; N550-K554 PolarHBondContact O-N 3.41Å; N550-K574 PolarHBondContact OD1-NZ 3.06Å
551S89.4Confident91.3Very high85 Ų8538 Ų3859%0.59421%0.208SC*.Hα-helixtrans-64.9-44176.352.70000112.5P549 T555P549-S551 PolarHBondContact O-N 3.41Å; S551-T555 PolarHBondContact O-N 3.08Å; S551-T555 VanDerWaalsContact O-N 3.17Å; S551-T555 PolarHBondContact O-OG1 3.43Å
552L90.3Very high91.1Very high19 Ų1937.9 Ų37.910%0.09920%0.204CC..Hα-helixtrans-62.2-50174.1173.261000110.5V429 W526 P549 K554 T555 L556V429-L552 HydrophobicContact CG1-CD1 4.48Å; V429-L552 HydrophobicContact CG1-CD2 4.18Å; W526-L552 HydrophobicContact CD2-CD1 4.45Å; W526-L552 VanDerWaalsContact CE2-CD1 3.47Å; W526-L552 HydrophobicContact CH2-CD1 3.91Å; W526-L552 HydrophobicContact CZ2-CD1 3.15Å; P549-L552 WeakPolarHBondContact O-CB 3.48Å; P549-L552 PolarHBondContact O-N 3.4Å; P549-L552 VanDerWaalsContact O-N 3.12Å; L552-K554 PolarHBondContact O-N 2.9Å; L552-T555 WeakPolarHBondContact O-CB 3.29Å; L552-T555 PolarHBondContact O-N 2.67Å; L552-T555 VanDerWaalsContact O-N 3.13Å; L552-L556 HydrophobicContact CD1-CD1 3.96Å; L552-L556 HydrophobicContact CD1-CG 4.12Å; L552-L556 HydrophobicContact CG-CD1 4.08Å; L552-L556 WeakPolarHBondContact O-CG 3.37Å; L552-L556 PolarHBondContact O-N 3.21Å
553S90.9Very high90.6Very high8 Ų843.2 Ų43.26%0.05623%0.233CC..Hα-helixtrans-56.7-45.9178.7169.50000112.7P549 N550 T555 L556 H557 Y572 K574P549-S553 PolarHBondContact O-N 3.23Å; N550-S553 PolarHBondContact O-N 3.27Å; S553-T555 VanDerWaalsContact C-N 3.33Å; S553-T555 PolarHBondContact O-N 3.42Å; S553-L556 PolarHBondContact O-N 2.96Å; S553-H557 WeakPolarHBondContact O-CB 3.28Å; S553-H557 PolarHBondContact O-N 3.19Å; S553-Y572 VanDerWaalsContact CA-OH 3.32Å; S553-Y572 WeakPolarHBondContact CA-OH 3.09Å; S553-Y572 VanDerWaalsContact CB-OH 3.32Å; S553-Y572 WeakPolarHBondContact CB-OH 3.49Å; S553-Y572 PolarHBondContact O-OH 3.18Å; S553-Y572 PolarHBondContact OG-OH 3.22Å; S553-K574 VanDerWaalsContact OG-CD 3.28Å; S553-K574 WeakPolarHBondContact OG-CD 3.46Å; S553-K574 WeakPolarHBondContact OG-CE 3.38Å
554K90.6Very high90.2Very high157 Ų15744.2 Ų44.268%0.68324%0.239SC*.Hα-helixtrans-60.7-40.5176.4-76.7176.4-179.6-1750112.4N550 L552 K558N550-K554 WeakPolarHBondContact O-CB 3.25Å; N550-K554 VanDerWaalsContact O-CG 3.26Å; N550-K554 WeakPolarHBondContact O-CG 3.44Å; N550-K554 PolarHBondContact O-N 3.41Å; L552-K554 PolarHBondContact O-N 2.9Å; K554-K558 WeakPolarHBondContact O-CB 3.35Å; K554-K558 PolarHBondContact O-N 3.5Å
555T92.5Very high89.7Confident63 Ų6349.4 Ų49.439%0.38728%0.275SS..Hα-helixtrans-65.7-48.2179.9-55.90000110.9W526 S551 L552 S553 K558 L559W526-T555 HydrophobicContact CG-CG2 4.45Å; S551-T555 PolarHBondContact O-N 3.08Å; S551-T555 VanDerWaalsContact O-N 3.17Å; S551-T555 PolarHBondContact O-OG1 3.43Å; L552-T555 WeakPolarHBondContact O-CB 3.29Å; L552-T555 PolarHBondContact O-N 2.67Å; L552-T555 VanDerWaalsContact O-N 3.13Å; S553-T555 VanDerWaalsContact C-N 3.33Å; S553-T555 PolarHBondContact O-N 3.42Å; T555-K558 PolarHBondContact O-N 3.09Å; T555-L559 HydrophobicContact CG2-CD1 4.19Å; T555-L559 WeakPolarHBondContact O-CG 3.27Å; T555-L559 PolarHBondContact O-N 3.37Å
556L92.9Very high89.3Confident0 Ų053 Ų530%029%0.289CS..Hα-helixtrans-64.2-42.1178-65.4174.8000112V429 W526 F530 C546 L552 S553 K558 L559 S560 Y572V429-L556 HydrophobicContact CB-CD1 3.89Å; V429-L556 HydrophobicContact CG1-CD1 3.87Å; V429-L556 HydrophobicContact CG2-CD1 4.06Å; W526-L556 HydrophobicContact CD2-CD2 3.89Å; W526-L556 HydrophobicContact CE3-CD2 3.61Å; W526-L556 HydrophobicContact CG-CD2 4.4Å; W526-L556 HydrophobicContact CZ3-CD2 4.04Å; F530-L556 HydrophobicContact CE2-CD2 3.54Å; F530-L556 HydrophobicContact CZ-CD2 3.85Å; C546-L556 HydrophobicContact CB-CD1 3.88Å; L552-L556 HydrophobicContact CD1-CD1 3.96Å; L552-L556 HydrophobicContact CD1-CG 4.12Å; L552-L556 HydrophobicContact CG-CD1 4.08Å; L552-L556 WeakPolarHBondContact O-CG 3.37Å; L552-L556 PolarHBondContact O-N 3.21Å; S553-L556 PolarHBondContact O-N 2.96Å; L556-K558 VanDerWaalsContact C-N 3.33Å; L556-K558 PolarHBondContact O-N 3Å; L556-L559 PolarHBondContact O-N 3.09Å; L556-S560 WeakPolarHBondContact O-CB 3.37Å; L556-S560 PolarHBondContact O-N 2.69Å; L556-S560 PolarHBondContact O-OG 3.4Å; L556-S560 VanDerWaalsContact O-OG 3.07Å; L556-Y572 HydrophobicContact CB-CD2 4.27Å; L556-Y572 HydrophobicContact CB-CE2 3.68Å
557H91.8Very high88.9Confident54 Ų5455.7 Ų55.725%0.2532%0.317CS..Hα-helixtrans-59.2-44.1175.3179.5-88.4000111.9E12 S553 L559 S560 N561 Y572E12-H557 IonicContact OE1-CD2 2.9Å; E12-H557 IonicContact OE1-CE1 2.72Å; E12-H557 IonicContact OE1-NE2 3.19Å; E12-H557 PolarHBondContact OE1-NE2 2.62Å; S553-H557 WeakPolarHBondContact O-CB 3.28Å; S553-H557 PolarHBondContact O-N 3.19Å; H557-L559 PolarHBondContact O-N 2.63Å; H557-S560 PolarHBondContact O-N 3.37Å; H557-N561 PolarHBondContact CE1-ND2 2.93Å; H557-N561 PolarHBondContact ND1-ND2 3.43Å; H557-N561 PolarHBondContact O-N 3.31Å; H557-N561 PolarHBondContact O-ND2 2.73Å; H557-Y572 HydrophobicContact CB-CD1 4Å; H557-Y572 HydrophobicContact CB-CE1 3.85Å; H557-Y572 HydrophobicContact CB-CE2 4.47Å; H557-Y572 HydrophobicContact CB-CG 4.33Å; H557-Y572 AromaticContact CD2-CD1 3.5Å; H557-Y572 AromaticContact CD2-CE1 3.9Å
558K91.1Very high88.7Confident139 Ų13955.3 Ų55.360%0.60431%0.314SS*.Hα-helixtrans-61.4-44.1176.1-173.1-178.7178.4176.40111.5K554 T555 L556 N561 Q562K554-K558 WeakPolarHBondContact O-CB 3.35Å; K554-K558 PolarHBondContact O-N 3.5Å; T555-K558 PolarHBondContact O-N 3.09Å; L556-K558 VanDerWaalsContact C-N 3.33Å; L556-K558 PolarHBondContact O-N 3Å; K558-N561 PolarHBondContact O-N 3.36Å; K558-Q562 WeakPolarHBondContact O-CG 3.48Å; K558-Q562 PolarHBondContact O-N 3.27Å
559L91.4Very high88.7Confident19 Ų1958.6 Ų58.610%0.09932%0.32CS..Hα-helixtrans-68.4-39.7179.7-69.5170.6000112.3W526 K527 F530 T555 L556 H557 N561 Q562W526-L559 HydrophobicContact CB-CD1 3.35Å; W526-L559 HydrophobicContact CG-CD1 4.41Å; K527-L559 HydrophobicContact CB-CD2 4.34Å; K527-L559 HydrophobicContact CG-CD2 4.49Å; F530-L559 HydrophobicContact CD1-CB 3.98Å; F530-L559 HydrophobicContact CD2-CD1 4.27Å; F530-L559 HydrophobicContact CE1-CB 4Å; F530-L559 HydrophobicContact CE2-CD1 4.45Å; F530-L559 HydrophobicContact CG-CB 4.26Å; F530-L559 HydrophobicContact CZ-CB 4.3Å; T555-L559 HydrophobicContact CG2-CD1 4.19Å; T555-L559 WeakPolarHBondContact O-CG 3.27Å; T555-L559 PolarHBondContact O-N 3.37Å; L556-L559 PolarHBondContact O-N 3.09Å; H557-L559 PolarHBondContact O-N 2.63Å; L559-N561 PolarHBondContact O-N 3.31Å; L559-Q562 WeakPolarHBondContact O-CB 3.45Å; L559-Q562 PolarHBondContact O-N 3.16Å
560S90.4Very high88.9Confident0 Ų055.4 Ų55.40%030%0.299CS..Hα-helixtrans-62.3-25.8176.7-640000113.5L556 H557L556-S560 WeakPolarHBondContact O-CB 3.37Å; L556-S560 PolarHBondContact O-N 2.69Å; L556-S560 PolarHBondContact O-OG 3.4Å; L556-S560 VanDerWaalsContact O-OG 3.07Å; H557-S560 PolarHBondContact O-N 3.37Å
561N89Confident89.1Confident12 Ų1251.4 Ų51.46%0.06428%0.277CS..THydrogen-bonded Turntrans-93.5-4.5177.5-68.1-43.1000113.7S4 N11 H557 K558 L559S4-N561 PolarHBondContact N-O 3.39Å; N11-N561 PolarHBondContact ND2-OD1 3.26Å; H557-N561 PolarHBondContact CE1-ND2 2.93Å; H557-N561 PolarHBondContact ND1-ND2 3.43Å; H557-N561 PolarHBondContact O-N 3.31Å; H557-N561 PolarHBondContact O-ND2 2.73Å; K558-N561 PolarHBondContact O-N 3.36Å; L559-N561 PolarHBondContact O-N 3.31Å
562Q87.7Confident89.2Confident35 Ų3548.2 Ų48.216%0.16425%0.252CS..BIsolated β-bridgetrans-74.6150175.3-78.5170.828.200111.2K558 L559K558-Q562 WeakPolarHBondContact O-CG 3.48Å; K558-Q562 PolarHBondContact O-N 3.27Å; L559-Q562 WeakPolarHBondContact O-CB 3.45Å; L559-Q562 PolarHBondContact O-N 3.16Å
563N81.9Confident89.1Confident113 Ų11347.7 Ų47.760%0.60425%0.249SC*.  trans-75.5141.7172.4-156.221.9000110.3
564N85.2Confident88.9Confident21 Ų2149.8 Ų49.811%0.11226%0.257CS..  trans-122.9152172.160.167.3000109.9A534 Y566 G567 T568A534-N564 HydrophobicContact CB-CB 4.35Å; N564-Y566 PolarHBondContact O-N 3.47Å; N564-Y566 PolarHBondContact OD1-N 3.19Å; N564-G567 PolarHBondContact OD1-N 2.9Å; N564-T568 PolarHBondContact ND2-O 3.35Å; N564-T568 PolarHBondContact OD1-N 2.83Å
565S83.9Confident88.3Confident108 Ų10842.7 Ų42.776%0.75523%0.227SC*.THydrogen-bonded Turntrans-71.1-12.1-18051.50000113.7
566Y86.6Confident87.1Confident76 Ų7642.2 Ų42.230%0.29823%0.225SC..THydrogen-bonded Turntrans-98.2-1.4-171.5-55.3-68.4000114.1A534 K535 R538 G539 N564 T568A534-Y566 HydrophobicContact CB-CD2 3.73Å; A534-Y566 HydrophobicContact CB-CG 4.44Å; K535-Y566 HydrophobicContact CB-CD2 4.31Å; K535-Y566 HydrophobicContact CB-CE1 4.15Å; K535-Y566 HydrophobicContact CB-CE2 3.91Å; K535-Y566 HydrophobicContact CG-CE1 4.05Å; R538-Y566 HydrophobicContact CG-CD1 4.49Å; G539-Y566 PolarHBondContact N-O 3.18Å; N564-Y566 PolarHBondContact O-N 3.47Å; N564-Y566 PolarHBondContact OD1-N 3.19Å; Y566-T568 PolarHBondContact O-N 3.27Å
567G84.6Confident85.5Confident57 Ų5745.9 Ų45.959%0.58824%0.242SC*.  trans68.512.6-179.400000114.8N564N564-G567 PolarHBondContact OD1-N 2.9Å
568T89.3Confident82.9Confident4 Ų448.3 Ų48.33%0.02527%0.265CS..  trans-73.7135.5178.9-53.60000110A534 N537 K540 V542 N564 Y566 F570A534-T568 WeakPolarHBondContact CA-OG1 3.33Å; A534-T568 PolarHBondContact O-OG1 2.7Å; N537-T568 HydrophobicContact CB-CG2 4.48Å; N537-T568 WeakPolarHBondContact O-CG2 3.25Å; N537-T568 PolarHBondContact O-OG1 3.21Å; K540-T568 WeakPolarHBondContact O-CA 3.19Å; K540-T568 WeakPolarHBondContact O-CG2 3.26Å; V542-T568 HydrophobicContact CG2-CG2 3.86Å; N564-T568 PolarHBondContact ND2-O 3.35Å; N564-T568 PolarHBondContact OD1-N 2.83Å; Y566-T568 PolarHBondContact O-N 3.27Å; T568-F570 HydrophobicContact CG2-CE1 4.46Å; T568-F570 HydrophobicContact CG2-CE2 4.2Å; T568-F570 HydrophobicContact CG2-CZ 4.06Å
569R88.9Confident82.5Confident90 Ų9043.8 Ų43.834%0.3425%0.248SC..EExtended strand (participates in β ladder)trans-101.2127.3177.3-171169.675.9-146.61.2110.8K540 T541 V542 E571K540-R569 PolarHBondContact O-N 3.5Å; T541-R569 CarbonylContact C-O 3.39Å; T541-R569 WeakPolarHBondContact CA-O 3.5Å; T541-R569 HydrophobicContact CG2-CB 4.37Å; T541-R569 PolarHBondContact OG1-NH2 3.15Å; V542-R569 PolarHBondContact N-O 3.04Å; R569-E571 HydrophobicContact CG-CG 4.47Å; R569-E571 IonicContact CZ-OE1 3.1Å; R569-E571 IonicContact NE-OE1 2.73Å; R569-E571 PolarHBondContact NE-OE1 2.78Å; R569-E571 IonicContact NH2-OE1 3.91Å; R569-E571 PolarHBondContact NH2-OE1 3.47Å
570F92.3Very high82Confident4 Ų445.1 Ų45.12%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-104115.9174.6-66.5-78000110.7N11 F530 I533 A534 V542 V544 T568N11-F570 PolarHBondContact ND2-O 2.98Å; N11-F570 VanDerWaalsContact ND2-O 3.1Å; F530-F570 HydrophobicContact CD1-CD1 4.11Å; F530-F570 HydrophobicContact CD1-CD2 4.13Å; F530-F570 HydrophobicContact CD1-CE1 4.04Å; F530-F570 HydrophobicContact CD1-CE2 4.06Å; F530-F570 HydrophobicContact CD1-CG 4.16Å; F530-F570 HydrophobicContact CD1-CZ 4.01Å; F530-F570 HydrophobicContact CE1-CD1 4.01Å; F530-F570 HydrophobicContact CE1-CD2 4.5Å; F530-F570 HydrophobicContact CE1-CE1 4.32Å; F530-F570 HydrophobicContact CE1-CG 4.1Å; I533-F570 HydrophobicContact CG2-CE1 3.9Å; I533-F570 HydrophobicContact CG2-CZ 4.23Å; A534-F570 HydrophobicContact CB-CE2 4.09Å; A534-F570 HydrophobicContact CB-CZ 4.01Å; V542-F570 HydrophobicContact CB-CD1 3.75Å; V542-F570 HydrophobicContact CB-CE1 3.91Å; V542-F570 HydrophobicContact CG1-CD1 3.99Å; V542-F570 HydrophobicContact CG1-CE1 4.04Å; V542-F570 HydrophobicContact CG2-CD1 4.43Å; V542-F570 HydrophobicContact CG2-CE1 4.13Å; V542-F570 WeakPolarHBondContact O-CA 3.29Å; V544-F570 HydrophobicContact CG2-CB 4.03Å; V544-F570 HydrophobicContact CG2-CD1 3.72Å; V544-F570 HydrophobicContact CG2-CG 4.33Å; T568-F570 HydrophobicContact CG2-CE1 4.46Å; T568-F570 HydrophobicContact CG2-CE2 4.2Å; T568-F570 HydrophobicContact CG2-CZ 4.06Å
571E90.8Very high81.5Confident15 Ų1547.6 Ų47.67%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-99.7109.5177.8-70.5-176.5-169.600110N11 Y423 T541 V542 V544 R569N11-E571 WeakPolarHBondContact OD1-CA 3.36Å; Y423-E571 HydrophobicContact CE1-CB 4.36Å; Y423-E571 WeakPolarHBondContact CE1-OE2 3.41Å; Y423-E571 PolarHBondContact OH-OE2 2.89Å; Y423-E571 VanDerWaalsContact OH-OE2 3.08Å; T541-E571 HydrophobicContact CG2-CG 3.88Å; T541-E571 WeakPolarHBondContact CG2-OE1 3.44Å; V542-E571 PolarHBondContact O-N 3.43Å; V544-E571 PolarHBondContact N-O 3.3Å; R569-E571 HydrophobicContact CG-CG 4.47Å; R569-E571 IonicContact CZ-OE1 3.1Å; R569-E571 IonicContact NE-OE1 2.73Å; R569-E571 PolarHBondContact NE-OE1 2.78Å; R569-E571 IonicContact NH2-OE1 3.91Å; R569-E571 PolarHBondContact NH2-OE1 3.47Å
572Y90.8Very high81.1Confident19 Ų1949.7 Ų49.78%0.07528%0.282CS..EExtended strand (participates in β ladder)trans-88.5127.9-172.1-177.2-98.5000113N11 R96 V544 C546 S553 L556 H557 K574N11-Y572 PolarHBondContact OD1-N 3.19Å; R96-Y572 PolarHBondContact NH2-O 3.23Å; V544-Y572 HydrophobicContact CB-CD2 4.3Å; V544-Y572 HydrophobicContact CG1-CD2 3.95Å; V544-Y572 HydrophobicContact CG1-CE2 4.42Å; C546-Y572 HydrophobicContact CB-CE2 3.71Å; C546-Y572 WeakPolarHBondContact CB-OH 3.3Å; S553-Y572 VanDerWaalsContact CA-OH 3.32Å; S553-Y572 WeakPolarHBondContact CA-OH 3.09Å; S553-Y572 VanDerWaalsContact CB-OH 3.32Å; S553-Y572 WeakPolarHBondContact CB-OH 3.49Å; S553-Y572 PolarHBondContact O-OH 3.18Å; S553-Y572 PolarHBondContact OG-OH 3.22Å; L556-Y572 HydrophobicContact CB-CD2 4.27Å; L556-Y572 HydrophobicContact CB-CE2 3.68Å; H557-Y572 HydrophobicContact CB-CD1 4Å; H557-Y572 HydrophobicContact CB-CE1 3.85Å; H557-Y572 HydrophobicContact CB-CE2 4.47Å; H557-Y572 HydrophobicContact CB-CG 4.33Å; H557-Y572 AromaticContact CD2-CD1 3.5Å; H557-Y572 AromaticContact CD2-CE1 3.9Å; Y572-K574 HydrophobicContact CE1-CB 3.79Å
573N89.3Confident80.7Confident7 Ų750.6 Ų50.64%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-128.3126.8178.4-60.9-58.6000109.2R96 P416 V544 F545 C546R96-N573 PolarHBondContact NE-OD1 2.88Å; P416-N573 HydrophobicContact CB-CB 4.06Å; V544-N573 PolarHBondContact O-N 3.35Å; F545-N573 WeakPolarHBondContact CA-O 3.13Å; F545-N573 HydrophobicContact CD1-CB 3.7Å; F545-N573 HydrophobicContact CE1-CB 3.86Å; F545-N573 WeakPolarHBondContact CE1-ND2 3.44Å; C546-N573 PolarHBondContact N-O 3.36Å
574K86.3Confident80.6Confident52 Ų5246.5 Ų46.523%0.22627%0.268CS..EExtended strand (participates in β ladder)trans-115.7136.4179.3-175.4-166-177.3-173.60109.5C546 N550 S553 Y572C546-K574 WeakPolarHBondContact O-CA 3.43Å; N550-K574 PolarHBondContact OD1-NZ 3.06Å; S553-K574 VanDerWaalsContact OG-CD 3.28Å; S553-K574 WeakPolarHBondContact OG-CD 3.46Å; S553-K574 WeakPolarHBondContact OG-CE 3.38Å; Y572-K574 HydrophobicContact CE1-CB 3.79Å
575E78.1Confident80.3Confident9 Ų948.3 Ų48.34%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-117.3134.9162.2-176.9168.2-138.900108.6S415 F417 P437 C546 F577S415-E575 WeakPolarHBondContact CB-OE1 3.37Å; S415-E575 VanDerWaalsContact OG-CD 3.3Å; S415-E575 PolarHBondContact OG-OE1 2.61Å; F417-E575 HydrophobicContact CD2-CB 3.59Å; F417-E575 HydrophobicContact CD2-CG 4.37Å; F417-E575 WeakPolarHBondContact CD2-OE2 3.45Å; F417-E575 HydrophobicContact CE2-CB 3.12Å; F417-E575 HydrophobicContact CE2-CG 4.27Å; F417-E575 WeakPolarHBondContact CG-OE2 3.31Å; F417-E575 HydrophobicContact CZ-CB 3.75Å; P437-E575 VanDerWaalsContact CB-OE2 3.25Å; P437-E575 WeakPolarHBondContact CB-OE2 3.36Å; P437-E575 WeakPolarHBondContact CG-OE2 3.33Å; C546-E575 PolarHBondContact O-N 3.01Å; C546-E575 VanDerWaalsContact O-N 3.1Å; E575-F577 HydrophobicContact CG-CD2 4.32Å; E575-F577 HydrophobicContact CG-CE2 3.57Å; E575-F577 HydrophobicContact CG-CZ 3.9Å; E575-F577 WeakPolarHBondContact OE1-CE2 3.29Å; E575-F577 WeakPolarHBondContact OE1-CZ 3.27Å
576S66.8Low80Confident52 Ų5243.7 Ų43.736%0.36424%0.243SC..  trans-152.2114.7171.658.20000108.9S578S576-S578 PolarHBondContact O-N 2.91Å
577F59.3Low79.4Confident78 Ų7841 Ų4134%0.34224%0.238SC..  trans-84106.2162.8-55.3-75.8000105.8Y338 P353 T355 E575Y338-F577 AromaticContact CD1-CE1 3.84Å; Y338-F577 HydrophobicContact CD1-CE1 3.84Å; Y338-F577 AromaticContact CD1-CZ 3.81Å; Y338-F577 HydrophobicContact CD1-CZ 3.81Å; Y338-F577 AromaticContact CD2-CE1 3.71Å; Y338-F577 HydrophobicContact CD2-CE1 3.71Å; Y338-F577 HydrophobicContact CD2-CZ 4.25Å; Y338-F577 HydrophobicContact CE1-CE1 4.2Å; Y338-F577 HydrophobicContact CE2-CE1 4.09Å; Y338-F577 AromaticContact CG-CE1 3.57Å; Y338-F577 HydrophobicContact CG-CE1 3.57Å; Y338-F577 AromaticContact CG-CZ 3.65Å; Y338-F577 HydrophobicContact CG-CZ 3.65Å; P353-F577 HydrophobicContact CB-CD1 3.72Å; P353-F577 HydrophobicContact CB-CE1 4.13Å; P353-F577 HydrophobicContact CG-CB 4.34Å; P353-F577 HydrophobicContact CG-CD1 3.82Å; P353-F577 HydrophobicContact CG-CG 4.43Å; T355-F577 WeakPolarHBondContact OG1-CE2 3.33Å; E575-F577 HydrophobicContact CG-CD2 4.32Å; E575-F577 HydrophobicContact CG-CE2 3.57Å; E575-F577 HydrophobicContact CG-CZ 3.9Å; E575-F577 WeakPolarHBondContact OE1-CE2 3.29Å; E575-F577 WeakPolarHBondContact OE1-CZ 3.27Å
578S36.9Very low79Confident105 Ų10539.5 Ų39.573%0.73421%0.207SC*.  trans-139.90-17867.90000110.8R102 S576R102-S578 PolarHBondContact NH1-O 3.42Å; R102-S578 PolarHBondContact NH2-O 2.69Å; S576-S578 PolarHBondContact O-N 2.91Å

Retrieved 578 of 578 residues in 168.9 ms (Link to these results)

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