A0A096NSS2_PAPAN Loading...

USH1 protein network component sans

AlphaFold DB , UniProt , Accession A0A096NSS2, Species PAPAN (Papio anubis, Olive baboon), Gene USH1G, Length 461 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
1M52.8Low85.3Confident159 Ų15968.5 Ų68.578%0.78332%0.319SS*.  0154.10-65.2-174.4-166.800107.4D3M1-D3 PolarHBondContact O-N 2.77Å; M1-D3 VanDerWaalsContact O-N 3.12Å
2N64.4Low85.8Confident119 Ų11965 Ų6564%0.63632%0.315SS*.  trans-84.880.5-177.9-79.1-5.3000109.9Q4N2-Q4 PolarHBondContact O-N 3.48Å
3D83.3Confident86.4Confident61 Ų6170.8 Ų70.833%0.32633%0.333SS..THydrogen-bonded Turntrans-728.7178.7-46.5-16.2000112.7M1 Y5 H6 R7M1-D3 PolarHBondContact O-N 2.77Å; M1-D3 VanDerWaalsContact O-N 3.12Å; D3-Y5 VanDerWaalsContact C-N 3.3Å; D3-Y5 PolarHBondContact O-N 3.21Å; D3-H6 PolarHBondContact O-N 3.32Å; D3-R7 PolarHBondContact O-N 2.94Å
4Q90.1Very high86.9Confident79 Ų7969.9 Ų69.937%0.36933%0.331SS..Hα-helixtrans-57.7-44.3178.5176.5179.1-18.800111N2 A8N2-Q4 PolarHBondContact O-N 3.48Å; Q4-A8 VanDerWaalsContact O-CB 3.31Å; Q4-A8 WeakPolarHBondContact O-CB 3.3Å; Q4-A8 PolarHBondContact O-N 3.4Å
5Y91.5Very high87.2Confident23 Ų2373.5 Ų73.59%0.0935%0.348CS..Hα-helixtrans-76.5-30.1-178.8-57.9-65.7000112.5D3 A8 A9 L16 A20 E24D3-Y5 VanDerWaalsContact C-N 3.3Å; D3-Y5 PolarHBondContact O-N 3.21Å; Y5-A8 PolarHBondContact O-N 3.25Å; Y5-A9 VanDerWaalsContact O-CB 3.28Å; Y5-A9 WeakPolarHBondContact O-CB 3.38Å; Y5-A9 PolarHBondContact O-N 3.12Å; Y5-L16 WeakPolarHBondContact CE1-O 3.5Å; Y5-A20 HydrophobicContact CD1-CB 3.58Å; Y5-A20 HydrophobicContact CE1-CB 3.46Å; Y5-A20 VanDerWaalsContact CE1-CB 3.46Å; Y5-A20 HydrophobicContact CG-CB 4.19Å; Y5-E24 HydrophobicContact CD2-CB 3.76Å; Y5-E24 HydrophobicContact CD2-CG 4.3Å; Y5-E24 HydrophobicContact CE2-CB 3.75Å; Y5-E24 HydrophobicContact CE2-CG 3.87Å; Y5-E24 WeakPolarHBondContact CE2-OE2 3.42Å; Y5-E24 PolarHBondContact OH-OE2 3.42Å
6H91.7Very high87.4Confident13 Ų1372.9 Ų72.96%0.0635%0.347CS..Hα-helixtrans-62.7-49.6171-5871.9000110.7D3 A8 A9 R10 A27 D29 M33 W38D3-H6 PolarHBondContact O-N 3.32Å; H6-A8 PolarHBondContact O-N 2.65Å; H6-A9 PolarHBondContact O-N 3.3Å; H6-R10 WeakPolarHBondContact O-CB 3.35Å; H6-R10 PolarHBondContact O-N 3.24Å; H6-A27 PolarHBondContact CE1-O 3.21Å; H6-A27 PolarHBondContact NE2-O 3.43Å; H6-A27 VanDerWaalsContact NE2-O 3.13Å; H6-D29 IonicContact CD2-OD2 2.8Å; H6-M33 PolarHBondContact CD2-O 3.34Å; H6-M33 PolarHBondContact NE2-O 2.91Å; H6-M33 VanDerWaalsContact NE2-O 3.16Å; H6-W38 AromaticContact CD2-CD1 3.7Å; H6-W38 AromaticContact CD2-NE1 3.89Å
7R92.1Very high87.6Confident128 Ų12868.7 Ų68.748%0.48333%0.327SS..Hα-helixtrans-62.1-42.1174.4-72.7-170.5-70.3-92.60.2112.1D3 A9 R10 D11D3-R7 PolarHBondContact O-N 2.94Å; R7-A9 VanDerWaalsContact C-N 3.34Å; R7-A9 PolarHBondContact O-N 2.72Å; R7-R10 PolarHBondContact O-N 3.18Å; R7-D11 WeakPolarHBondContact O-CB 3.21Å; R7-D11 PolarHBondContact O-N 3.1Å
8A93.6Very high87.8Confident1 Ų169.8 Ų69.81%0.00833%0.33CS..Hα-helixtrans-61.7-41.3176.800000112.3Q4 Y5 H6 G12 Y13 L16 L17Q4-A8 VanDerWaalsContact O-CB 3.31Å; Q4-A8 WeakPolarHBondContact O-CB 3.3Å; Q4-A8 PolarHBondContact O-N 3.4Å; Y5-A8 PolarHBondContact O-N 3.25Å; H6-A8 PolarHBondContact O-N 2.65Å; A8-G12 CarbonylContact O-C 3.45Å; A8-G12 WeakPolarHBondContact O-CA 3.49Å; A8-G12 PolarHBondContact O-N 3.25Å; A8-Y13 PolarHBondContact O-N 3.02Å; A8-L16 HydrophobicContact CB-CB 4.03Å; A8-L16 HydrophobicContact CB-CD1 4.35Å; A8-L17 HydrophobicContact CB-CD2 3.98Å; A8-L17 HydrophobicContact CB-CG 4Å
9A93.6Very high87.9Confident0 Ų073.5 Ų73.50%035%0.347CS..Hα-helixtrans-66.9-37.6175.900000113Y5 H6 R7 L17 P35 W38 A39 N44 I51Y5-A9 VanDerWaalsContact O-CB 3.28Å; Y5-A9 WeakPolarHBondContact O-CB 3.38Å; Y5-A9 PolarHBondContact O-N 3.12Å; H6-A9 PolarHBondContact O-N 3.3Å; R7-A9 VanDerWaalsContact C-N 3.34Å; R7-A9 PolarHBondContact O-N 2.72Å; A9-L17 HydrophobicContact CB-CD2 4.3Å; A9-P35 HydrophobicContact CB-CB 3.96Å; A9-P35 WeakPolarHBondContact CB-O 3.36Å; A9-W38 HydrophobicContact CB-CB 4.37Å; A9-A39 HydrophobicContact CB-CB 4.24Å; A9-N44 PolarHBondContact O-ND2 2.86Å; A9-I51 HydrophobicContact CB-CD1 3.65Å
10R92.8Very high87.9Confident100 Ų10070.2 Ų70.238%0.37733%0.333SS..Hα-helixtrans-67.9-43.1175.5175.1178.886.6168.38.7113.5H6 R7 W38 H42 N44H6-R10 WeakPolarHBondContact O-CB 3.35Å; H6-R10 PolarHBondContact O-N 3.24Å; R7-R10 PolarHBondContact O-N 3.18Å; R10-W38 HydrophobicContact CB-CB 4.5Å; R10-W38 HydrophobicContact CB-CE3 4.26Å; R10-W38 HydrophobicContact CG-CE3 4.29Å; R10-H42 WeakPolarHBondContact CD-NE2 3.42Å; R10-H42 VanDerWaalsContact CG-CD2 3.41Å; R10-H42 WeakPolarHBondContact CG-CD2 3.49Å; R10-H42 WeakPolarHBondContact CG-NE2 3.36Å; R10-N44 PolarHBondContact O-ND2 3.49Å
11D92.1Very high87.9Confident71 Ų7170.4 Ų70.438%0.3834%0.339SS..Hα-helixtrans-93.9-8.1-172.5-60-16000111.8R7 Y13R7-D11 WeakPolarHBondContact O-CB 3.21Å; R7-D11 PolarHBondContact O-N 3.1Å; D11-Y13 HydrophobicContact CB-CD2 3.62Å; D11-Y13 HydrophobicContact CB-CE2 3.38Å
12G91.8Very high89.7Confident26 Ų2671.4 Ų71.427%0.26833%0.334SS..THydrogen-bonded Turntrans8717.4176.400000115.1A8 L14 N44 S47A8-G12 CarbonylContact O-C 3.45Å; A8-G12 WeakPolarHBondContact O-CA 3.49Å; A8-G12 PolarHBondContact O-N 3.25Å; G12-L14 PolarHBondContact O-N 3.41Å; G12-N44 PolarHBondContact N-ND2 3.02Å; G12-S47 WeakPolarHBondContact CA-OG 3.43Å
13Y93.6Very high90.8Very high140 Ų14074.5 Ų74.555%0.54934%0.342SS..  trans-75.787.1-176.9-65.4-59.4000112.4A8 D11 E15 L16 L17A8-Y13 PolarHBondContact O-N 3.02Å; D11-Y13 HydrophobicContact CB-CD2 3.62Å; D11-Y13 HydrophobicContact CB-CE2 3.38Å; Y13-E15 PolarHBondContact O-N 2.93Å; Y13-L16 PolarHBondContact O-N 3.01Å; Y13-L17 PolarHBondContact O-N 2.86Å
14L93.7Very high91.1Very high59 Ų5974.3 Ų74.331%0.30934%0.339SS..Hα-helixtrans-61.9-37.1-174.9-56.4-178.4000114G12 L16 L17 K18 E46 S47 L50G12-L14 PolarHBondContact O-N 3.41Å; L14-L16 PolarHBondContact O-N 3.46Å; L14-L17 PolarHBondContact O-N 3.49Å; L14-K18 WeakPolarHBondContact O-CG 3.38Å; L14-K18 PolarHBondContact O-N 3.46Å; L14-E46 HydrophobicContact CD1-CB 4.21Å; L14-E46 HydrophobicContact CD2-CB 4.03Å; L14-S47 WeakPolarHBondContact CD2-OG 3.32Å; L14-L50 HydrophobicContact CB-CD2 4.38Å; L14-L50 HydrophobicContact CD2-CD2 4.38Å; L14-L50 WeakPolarHBondContact O-CD2 3.42Å
15E91.6Very high91.1Very high123 Ų12370.6 Ų70.658%0.57532%0.321SS*.Hα-helixtrans-62.3-42.9-177.3-61.3-50.9109.700112Y13 L17 K18Y13-E15 PolarHBondContact O-N 2.93Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 3.32Å; E15-K18 WeakPolarHBondContact O-CB 3.31Å; E15-K18 PolarHBondContact O-N 3.12Å; E15-K18 IonicContact OE1-NZ 2.63Å; E15-K18 PolarHBondContact OE1-NZ 3.39Å; E15-K18 IonicContact OE2-NZ 3.12Å
16L90.6Very high91.1Very high64 Ų6471 Ų7134%0.33533%0.325SS..Hα-helixtrans-66.8-36.9176.1-66.7178.6000111.9Y5 A8 Y13 L14 K18 E19Y5-L16 WeakPolarHBondContact CE1-O 3.5Å; A8-L16 HydrophobicContact CB-CB 4.03Å; A8-L16 HydrophobicContact CB-CD1 4.35Å; Y13-L16 PolarHBondContact O-N 3.01Å; L14-L16 PolarHBondContact O-N 3.46Å; L16-K18 VanDerWaalsContact C-N 3.28Å; L16-K18 PolarHBondContact O-N 3.11Å; L16-E19 PolarHBondContact O-N 3.19Å
17L90.1Very high91Very high2 Ų272.3 Ų72.31%0.0134%0.338CS..Hα-helixtrans-69.5-25.2177.4-67.8173.2000112.8A8 A9 Y13 L14 E15 E19 A20 L25 S47 L50 I51A8-L17 HydrophobicContact CB-CD2 3.98Å; A8-L17 HydrophobicContact CB-CG 4Å; A9-L17 HydrophobicContact CB-CD2 4.3Å; Y13-L17 PolarHBondContact O-N 2.86Å; L14-L17 PolarHBondContact O-N 3.49Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 3.32Å; L17-E19 VanDerWaalsContact C-N 3.28Å; L17-E19 PolarHBondContact O-N 3.28Å; L17-A20 WeakPolarHBondContact O-CB 3.46Å; L17-A20 PolarHBondContact O-N 2.86Å; L17-L25 HydrophobicContact CD2-CD2 4.44Å; L17-S47 WeakPolarHBondContact CD1-OG 3.24Å; L17-L50 HydrophobicContact CB-CD2 3.61Å; L17-L50 HydrophobicContact CB-CG 4.46Å; L17-I51 HydrophobicContact CD1-CD1 4.1Å; L17-I51 HydrophobicContact CD1-CG1 4.21Å; L17-I51 HydrophobicContact CD2-CD1 4.09Å; L17-I51 HydrophobicContact CD2-CG1 4.09Å
18K91Very high91Very high88 Ų8869.2 Ų69.238%0.38334%0.335SS..Hα-helixtrans-68.6-27.2174.6-73.1171.2-175.3169.20112.6L14 E15 L16 L50 R54L14-K18 WeakPolarHBondContact O-CG 3.38Å; L14-K18 PolarHBondContact O-N 3.46Å; E15-K18 WeakPolarHBondContact O-CB 3.31Å; E15-K18 PolarHBondContact O-N 3.12Å; E15-K18 IonicContact OE1-NZ 2.63Å; E15-K18 PolarHBondContact OE1-NZ 3.39Å; E15-K18 IonicContact OE2-NZ 3.12Å; L16-K18 VanDerWaalsContact C-N 3.28Å; L16-K18 PolarHBondContact O-N 3.11Å; K18-L50 HydrophobicContact CG-CD1 4.22Å; K18-L50 HydrophobicContact CG-CD2 3.85Å; K18-R54 VanDerWaalsContact O-CZ 3.29Å; K18-R54 PolarHBondContact O-NH1 3.42Å; K18-R54 PolarHBondContact O-NH2 3.43Å; K18-R54 VanDerWaalsContact O-NH2 3.16Å
19E89.8Confident90.8Very high141 Ų14170.4 Ų70.466%0.65934%0.341SS*.Hα-helixtrans-83.2-17.5178.5-64.1178.6174.400112.4L16 L17L16-E19 PolarHBondContact O-N 3.19Å; L17-E19 VanDerWaalsContact C-N 3.28Å; L17-E19 PolarHBondContact O-N 3.28Å
20A87.8Confident90.5Very high6 Ų677.6 Ų77.65%0.0538%0.375CS..  trans-64.8140.1-175.400000113.3Y5 L17 L25Y5-A20 HydrophobicContact CD1-CB 3.58Å; Y5-A20 HydrophobicContact CE1-CB 3.46Å; Y5-A20 VanDerWaalsContact CE1-CB 3.46Å; Y5-A20 HydrophobicContact CG-CB 4.19Å; L17-A20 WeakPolarHBondContact O-CB 3.46Å; L17-A20 PolarHBondContact O-N 2.86Å; A20-L25 HydrophobicContact CB-CD1 4.43Å; A20-L25 HydrophobicContact CB-CD2 3.68Å; A20-L25 HydrophobicContact CB-CG 3.92Å
21T88.8Confident90.2Very high75 Ų7576.6 Ų76.646%0.4638%0.376SS..  trans-86.9158.2171.9670000111.9K23 E24 L25T21-K23 PolarHBondContact O-N 3.32Å; T21-K23 VanDerWaalsContact O-N 3.14Å; T21-E24 WeakPolarHBondContact CB-OE2 3.42Å; T21-E24 PolarHBondContact N-OE2 3.21Å; T21-E24 PolarHBondContact O-N 3.5Å; T21-E24 VanDerWaalsContact O-N 3.08Å; T21-E24 WeakPolarHBondContact OG1-CG 3.46Å; T21-E24 PolarHBondContact OG1-OE2 2.96Å; T21-L25 WeakPolarHBondContact O-CG 3.31Å; T21-L25 PolarHBondContact O-N 2.95Å
22R89Confident90Very high181 Ų18173.9 Ų73.968%0.68337%0.365SS*.Hα-helixtrans-55.3-33.9178.1-176.4176.2-179.8-165.6-0.6113.8N26 G55R22-N26 PolarHBondContact O-N 3.48Å; R22-N26 PolarHBondContact O-ND2 2.62Å; R22-G55 WeakPolarHBondContact CG-O 3.5Å; R22-G55 PolarHBondContact NE-O 3.23Å
23K88.4Confident90Very high184 Ų18473.2 Ų73.280%0.836%0.355SS*.Hα-helixtrans-69.8-40.8179.4-71.4-177.1179.9178.10111.2T21 N26 A27T21-K23 PolarHBondContact O-N 3.32Å; T21-K23 VanDerWaalsContact O-N 3.14Å; K23-N26 CarbonylContact O-C 3.27Å; K23-N26 PolarHBondContact O-N 3.31Å; K23-A27 PolarHBondContact O-N 3.38Å; K23-A27 VanDerWaalsContact O-N 3.09Å
24E89.3Confident90Very high57 Ų5766.6 Ų66.627%0.26633%0.329SS..Hα-helixtrans-68.5-38.5179.2-67163.7146.100111.3Y5 T21 N26 A27Y5-E24 HydrophobicContact CD2-CB 3.76Å; Y5-E24 HydrophobicContact CD2-CG 4.3Å; Y5-E24 HydrophobicContact CE2-CB 3.75Å; Y5-E24 HydrophobicContact CE2-CG 3.87Å; Y5-E24 WeakPolarHBondContact CE2-OE2 3.42Å; Y5-E24 PolarHBondContact OH-OE2 3.42Å; T21-E24 WeakPolarHBondContact CB-OE2 3.42Å; T21-E24 PolarHBondContact N-OE2 3.21Å; T21-E24 PolarHBondContact O-N 3.5Å; T21-E24 VanDerWaalsContact O-N 3.08Å; T21-E24 WeakPolarHBondContact OG1-CG 3.46Å; T21-E24 PolarHBondContact OG1-OE2 2.96Å; E24-N26 PolarHBondContact O-N 3.13Å; E24-A27 WeakPolarHBondContact O-CB 3.38Å; E24-A27 PolarHBondContact O-N 2.77Å
25L90.2Very high90.1Very high1 Ų163.8 Ų63.81%0.00532%0.315CS..Hα-helixtrans-65.8-18175.3-66.5179.4000114.3L17 A20 T21 P35 I51 R54L17-L25 HydrophobicContact CD2-CD2 4.44Å; A20-L25 HydrophobicContact CB-CD1 4.43Å; A20-L25 HydrophobicContact CB-CD2 3.68Å; A20-L25 HydrophobicContact CB-CG 3.92Å; T21-L25 WeakPolarHBondContact O-CG 3.31Å; T21-L25 PolarHBondContact O-N 2.95Å; L25-P35 HydrophobicContact CD2-CB 4.36Å; L25-P35 WeakPolarHBondContact O-CD 3.34Å; L25-I51 HydrophobicContact CB-CG2 4.34Å; L25-I51 HydrophobicContact CD1-CG2 4.34Å; L25-I51 HydrophobicContact CD2-CB 4.47Å; L25-I51 HydrophobicContact CD2-CG1 4Å; L25-I51 HydrophobicContact CD2-CG2 4.07Å; L25-I51 HydrophobicContact CG-CG2 4.48Å; L25-R54 HydrophobicContact CD1-CB 3.5Å; L25-R54 VanDerWaalsContact CD1-CB 3.5Å
26N91.3Very high90.2Very high31 Ų3157.9 Ų57.917%0.16629%0.287CS..THydrogen-bonded Turntrans-113.26.6179-68.8-60.4000112.8R22 K23 E24 P28 G55 D57R22-N26 PolarHBondContact O-N 3.48Å; R22-N26 PolarHBondContact O-ND2 2.62Å; K23-N26 CarbonylContact O-C 3.27Å; K23-N26 PolarHBondContact O-N 3.31Å; E24-N26 PolarHBondContact O-N 3.13Å; N26-P28 WeakPolarHBondContact O-CD 3.48Å; N26-G55 PolarHBondContact ND2-O 3.27Å; N26-D57 WeakPolarHBondContact OD1-CB 3.31Å; N26-D57 PolarHBondContact OD1-N 3.03Å
27A91.1Very high90.4Very high40 Ų4054.9 Ų54.933%0.33127%0.271SS..  trans-77.2118.8176.400000108.9H6 K23 E24H6-A27 PolarHBondContact CE1-O 3.21Å; H6-A27 PolarHBondContact NE2-O 3.43Å; H6-A27 VanDerWaalsContact NE2-O 3.13Å; K23-A27 PolarHBondContact O-N 3.38Å; K23-A27 VanDerWaalsContact O-N 3.09Å; E24-A27 WeakPolarHBondContact O-CB 3.38Å; E24-A27 PolarHBondContact O-N 2.77Å
28P90.6Very high90.6Very high64 Ų6457.4 Ų57.442%0.41628%0.281SS..  trans-71.7148.6173.129.2-32000110.8N26 M33N26-P28 WeakPolarHBondContact O-CD 3.48Å; P28-M33 CarbonylContact C-O 3.57Å; P28-M33 WeakPolarHBondContact CA-O 3.48Å
29D89.7Confident90.8Very high25 Ų2553.2 Ų53.213%0.13426%0.263CS..  trans-82.8-169.3163.863.417.8000111.5H6 D31 G32 M33 W38H6-D29 IonicContact CD2-OD2 2.8Å; D29-D31 PolarHBondContact O-N 3.22Å; D29-D31 PolarHBondContact OD1-N 3.12Å; D29-G32 PolarHBondContact O-N 3.2Å; D29-G32 PolarHBondContact OD1-N 2.62Å; D29-M33 PolarHBondContact N-O 3.39Å; D29-M33 WeakPolarHBondContact OD1-CA 3.49Å; D29-M33 VanDerWaalsContact OD1-CB 3.3Å; D29-M33 WeakPolarHBondContact OD1-CB 3.46Å; D29-M33 PolarHBondContact OD1-N 3.4Å; D29-M33 WeakPolarHBondContact OD2-CB 3.46Å; D29-W38 PolarHBondContact OD2-NE1 3.36Å
30E87.6Confident91.1Very high152 Ų15246.5 Ų46.571%0.7123%0.231SC*.THydrogen-bonded Turntrans-60.6-29.3-179.7-59.8-64.514900112.9G32E30-G32 VanDerWaalsContact C-N 3.3Å
31D85.9Confident91.5Very high78 Ų7850.8 Ų50.842%0.41725%0.247SC..THydrogen-bonded Turntrans-91.68.6177.5-64.6-43000112.1D29 M33 I63 W64D29-D31 PolarHBondContact O-N 3.22Å; D29-D31 PolarHBondContact OD1-N 3.12Å; D31-M33 HydrophobicContact CB-CG 4.11Å; D31-M33 PolarHBondContact O-N 3.11Å; D31-I63 WeakPolarHBondContact O-CG1 3.37Å; D31-I63 WeakPolarHBondContact O-CG2 3.37Å; D31-I63 PolarHBondContact O-N 3.2Å; D31-W64 HydrophobicContact CB-CH2 4.35Å; D31-W64 HydrophobicContact CB-CZ3 4.37Å
32G89Confident91.8Very high14 Ų1450.7 Ų50.714%0.14424%0.241CC..SBendtrans75.34.8-176.400000113.7D29 E30D29-G32 PolarHBondContact O-N 3.2Å; D29-G32 PolarHBondContact OD1-N 2.62Å; E30-G32 VanDerWaalsContact C-N 3.3Å
33M91.9Very high92.1Very high13 Ų1343.1 Ų43.16%0.06422%0.219CC..  trans-78.2133.1-176.6-62.4-81.3-74.500110.3H6 P28 D29 D31 L37 W38 D62 L71H6-M33 PolarHBondContact CD2-O 3.34Å; H6-M33 PolarHBondContact NE2-O 2.91Å; H6-M33 VanDerWaalsContact NE2-O 3.16Å; P28-M33 CarbonylContact C-O 3.57Å; P28-M33 WeakPolarHBondContact CA-O 3.48Å; D29-M33 PolarHBondContact N-O 3.39Å; D29-M33 WeakPolarHBondContact OD1-CA 3.49Å; D29-M33 VanDerWaalsContact OD1-CB 3.3Å; D29-M33 WeakPolarHBondContact OD1-CB 3.46Å; D29-M33 PolarHBondContact OD1-N 3.4Å; D29-M33 WeakPolarHBondContact OD2-CB 3.46Å; D31-M33 HydrophobicContact CB-CG 4.11Å; D31-M33 PolarHBondContact O-N 3.11Å; M33-L37 HydrophobicContact CB-CB 4.45Å; M33-L37 HydrophobicContact CE-CB 3.77Å; M33-L37 HydrophobicContact SD-CB 3.81Å; M33-L37 HydrophobicContact SD-CD1 4.28Å; M33-L37 HydrophobicContact SD-CG 4.42Å; M33-W38 HydrophobicContact CE-CD2 4.25Å; M33-W38 HydrophobicContact CE-CG 4.4Å; M33-D62 HydrophobicContact CG-CB 4.25Å; M33-D62 HydrophobicContact SD-CB 3.63Å; M33-L71 HydrophobicContact CE-CD1 3.71Å; M33-L71 HydrophobicContact SD-CD1 4.04Å
34T93.5Very high92.5Very high0 Ų036.3 Ų36.30%019%0.192CC..  trans-96.6162.1172.859.50000109.8T36 L37 W38 K60T34-T36 PolarHBondContact O-N 3.12Å; T34-T36 VanDerWaalsContact O-N 3.15Å; T34-L37 HydrophobicContact CG2-CD1 4.43Å; T34-L37 WeakPolarHBondContact O-CB 3.48Å; T34-L37 PolarHBondContact O-N 3.03Å; T34-L37 WeakPolarHBondContact OG1-CD1 3.45Å; T34-L37 PolarHBondContact OG1-N 3.44Å; T34-W38 PolarHBondContact O-N 3.4Å; T34-K60 HydrophobicContact CG2-CG 3.93Å
35P93.9Very high92.8Very high0 Ų035.3 Ų35.30%019%0.188CC..Hα-helixtrans-49.9-36.5169.8-30.937.7000113.3A9 L25 W38 A39 I51A9-P35 HydrophobicContact CB-CB 3.96Å; A9-P35 WeakPolarHBondContact CB-O 3.36Å; L25-P35 HydrophobicContact CD2-CB 4.36Å; L25-P35 WeakPolarHBondContact O-CD 3.34Å; P35-W38 PolarHBondContact O-N 2.88Å; P35-A39 PolarHBondContact O-N 2.85Å; P35-I51 HydrophobicContact CB-CD1 4.13Å
36T94.7Very high93Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-61.7-43.1174.7-43.50000112.5T34 A39 A40 L48 I51 V52 P68T34-T36 PolarHBondContact O-N 3.12Å; T34-T36 VanDerWaalsContact O-N 3.15Å; T36-A39 PolarHBondContact O-N 2.94Å; T36-A40 PolarHBondContact O-N 3.17Å; T36-A40 VanDerWaalsContact O-N 3.1Å; T36-L48 HydrophobicContact CG2-CD1 3.7Å; T36-I51 VanDerWaalsContact OG1-CG2 3.27Å; T36-I51 WeakPolarHBondContact OG1-CG2 3.35Å; T36-V52 HydrophobicContact CG2-CG2 4.16Å; T36-P68 HydrophobicContact CG2-CB 4.5Å; T36-P68 HydrophobicContact CG2-CG 3.96Å
37L94.9Very high93.2Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-65.4-43.3178-75.9154.7000111M33 T34 A40 Y41 D62 N66 P68 L71M33-L37 HydrophobicContact CB-CB 4.45Å; M33-L37 HydrophobicContact CE-CB 3.77Å; M33-L37 HydrophobicContact SD-CB 3.81Å; M33-L37 HydrophobicContact SD-CD1 4.28Å; M33-L37 HydrophobicContact SD-CG 4.42Å; T34-L37 HydrophobicContact CG2-CD1 4.43Å; T34-L37 WeakPolarHBondContact O-CB 3.48Å; T34-L37 PolarHBondContact O-N 3.03Å; T34-L37 WeakPolarHBondContact OG1-CD1 3.45Å; T34-L37 PolarHBondContact OG1-N 3.44Å; L37-A40 PolarHBondContact O-N 3.03Å; L37-Y41 WeakPolarHBondContact O-CB 3.03Å; L37-Y41 PolarHBondContact O-N 3.16Å; L37-D62 HydrophobicContact CD1-CB 4.31Å; L37-N66 WeakPolarHBondContact CD2-O 3.34Å; L37-P68 HydrophobicContact CD2-CG 3.99Å; L37-P68 HydrophobicContact CG-CG 4.18Å; L37-L71 HydrophobicContact CB-CD1 3.92Å; L37-L71 HydrophobicContact CD2-CD1 3.46Å; L37-L71 VanDerWaalsContact CD2-CD1 3.46Å; L37-L71 HydrophobicContact CD2-CG 4.2Å; L37-L71 HydrophobicContact CG-CD1 4.32Å
38W94.9Very high93.4Very high55 Ų5536.8 Ų36.821%0.20819%0.187CC..Hα-helixtrans-62-43.7175.6-82.1106.7000112.8H6 A9 R10 D29 M33 T34 P35 A40 Y41 H42H6-W38 AromaticContact CD2-CD1 3.7Å; H6-W38 AromaticContact CD2-NE1 3.89Å; A9-W38 HydrophobicContact CB-CB 4.37Å; R10-W38 HydrophobicContact CB-CB 4.5Å; R10-W38 HydrophobicContact CB-CE3 4.26Å; R10-W38 HydrophobicContact CG-CE3 4.29Å; D29-W38 PolarHBondContact OD2-NE1 3.36Å; M33-W38 HydrophobicContact CE-CD2 4.25Å; M33-W38 HydrophobicContact CE-CG 4.4Å; T34-W38 PolarHBondContact O-N 3.4Å; P35-W38 PolarHBondContact O-N 2.88Å; W38-A40 VanDerWaalsContact C-N 3.33Å; W38-A40 PolarHBondContact O-N 3.24Å; W38-Y41 PolarHBondContact O-N 2.97Å; W38-H42 AromaticContact CE3-CD2 3.66Å; W38-H42 AromaticContact CE3-NE2 3.44Å; W38-H42 AromaticContact CZ3-NE2 3.39Å; W38-H42 WeakPolarHBondContact CZ3-NE2 3.42Å; W38-H42 PolarHBondContact O-CD2 2.73Å; W38-H42 PolarHBondContact O-N 2.87Å; W38-H42 VanDerWaalsContact O-N 3.11Å
39A95.6Very high93.6Very high0 Ų039 Ų390%019%0.187CC..Hα-helixtrans-62-41.2176.500000112.1A9 P35 T36 G43 N44 L48 I51A9-A39 HydrophobicContact CB-CB 4.24Å; P35-A39 PolarHBondContact O-N 2.85Å; T36-A39 PolarHBondContact O-N 2.94Å; A39-G43 PolarHBondContact O-N 3.05Å; A39-G43 VanDerWaalsContact O-N 3.12Å; A39-N44 PolarHBondContact O-N 3.49Å; A39-L48 HydrophobicContact CB-CB 4.07Å; A39-L48 HydrophobicContact CB-CD1 4.13Å; A39-I51 HydrophobicContact CB-CD1 4.1Å
40A96Very high93.9Very high0 Ų039.2 Ų39.20%019%0.188CC..Hα-helixtrans-69.5-38.9177.700000112.6T36 L37 W38 G43 L48 P68 A72 H77T36-A40 PolarHBondContact O-N 3.17Å; T36-A40 VanDerWaalsContact O-N 3.1Å; L37-A40 PolarHBondContact O-N 3.03Å; W38-A40 VanDerWaalsContact C-N 3.33Å; W38-A40 PolarHBondContact O-N 3.24Å; A40-G43 PolarHBondContact O-N 2.99Å; A40-L48 HydrophobicContact CB-CD1 4.25Å; A40-P68 HydrophobicContact CB-CB 3.81Å; A40-P68 WeakPolarHBondContact CB-O 3.31Å; A40-A72 HydrophobicContact CB-CB 4.45Å; A40-H77 PolarHBondContact O-CD2 2.88Å
41Y95.6Very high94.2Very high96 Ų9632 Ų3238%0.37616%0.155SC..Hα-helixtrans-62.9-40.3177.2-175.4-92.5000112.3L37 W38 L71 N75 H77L37-Y41 WeakPolarHBondContact O-CB 3.03Å; L37-Y41 PolarHBondContact O-N 3.16Å; W38-Y41 PolarHBondContact O-N 2.97Å; Y41-L71 HydrophobicContact CD2-CB 4.39Å; Y41-L71 HydrophobicContact CD2-CD1 4.44Å; Y41-L71 HydrophobicContact CD2-CD2 4.22Å; Y41-N75 WeakPolarHBondContact CD2-ND2 3.43Å; Y41-N75 VanDerWaalsContact CE2-ND2 3.32Å; Y41-N75 WeakPolarHBondContact CE2-ND2 3.3Å; Y41-N75 PolarHBondContact O-ND2 3.19Å; Y41-H77 PolarHBondContact O-CD2 2.91Å; Y41-H77 PolarHBondContact O-NE2 2.99Å; Y41-H77 VanDerWaalsContact O-NE2 3.1Å
42H95.3Very high94.5Very high73 Ų7328.5 Ų28.534%0.33814%0.136SC..Hα-helixtrans-90.6-2.7179.8-73-83.3000114.4R10 W38 N44R10-H42 WeakPolarHBondContact CD-NE2 3.42Å; R10-H42 VanDerWaalsContact CG-CD2 3.41Å; R10-H42 WeakPolarHBondContact CG-CD2 3.49Å; R10-H42 WeakPolarHBondContact CG-NE2 3.36Å; W38-H42 AromaticContact CE3-CD2 3.66Å; W38-H42 AromaticContact CE3-NE2 3.44Å; W38-H42 AromaticContact CZ3-NE2 3.39Å; W38-H42 WeakPolarHBondContact CZ3-NE2 3.42Å; W38-H42 PolarHBondContact O-CD2 2.73Å; W38-H42 PolarHBondContact O-N 2.87Å; W38-H42 VanDerWaalsContact O-N 3.11Å; H42-N44 VanDerWaalsContact C-N 3.34Å
43G94.8Very high94.7Very high22 Ų2231.9 Ų31.923%0.22716%0.158CC..THydrogen-bonded Turntrans76.418.9178.900000114.5A39 A40 L45 H77 C80A39-G43 PolarHBondContact O-N 3.05Å; A39-G43 VanDerWaalsContact O-N 3.12Å; A40-G43 PolarHBondContact O-N 2.99Å; G43-L45 PolarHBondContact O-N 3.37Å; G43-H77 WeakPolarHBondContact CA-CD2 3.3Å; G43-H77 VanDerWaalsContact CA-CG 3.44Å; G43-H77 PolarHBondContact N-CD2 3.28Å; G43-H77 VanDerWaalsContact N-CD2 3.26Å; G43-H77 PolarHBondContact N-NE2 3.13Å; G43-C80 PolarHBondContact O-SG 3.01Å
44N95.9Very high94.7Very high42 Ų4236.9 Ų36.923%0.22518%0.175CC..  trans-78.682.4-179.9-69.4-27.6000111.5A9 R10 G12 A39 H42 E46 S47 L48A9-N44 PolarHBondContact O-ND2 2.86Å; R10-N44 PolarHBondContact O-ND2 3.49Å; G12-N44 PolarHBondContact N-ND2 3.02Å; A39-N44 PolarHBondContact O-N 3.49Å; H42-N44 VanDerWaalsContact C-N 3.34Å; N44-E46 VanDerWaalsContact C-N 3.33Å; N44-E46 PolarHBondContact O-N 2.79Å; N44-S47 PolarHBondContact O-N 3.34Å; N44-L48 WeakPolarHBondContact O-CB 3.29Å; N44-L48 PolarHBondContact O-N 3.05Å
45L95.4Very high94.5Very high35 Ų3538 Ų3818%0.18319%0.187CC..Hα-helixtrans-54.8-45.2-177.7179.664.4000113.2G43 L48 R49 H79 F83G43-L45 PolarHBondContact O-N 3.37Å; L45-L48 WeakPolarHBondContact O-CB 3.38Å; L45-L48 PolarHBondContact O-N 3.32Å; L45-R49 HydrophobicContact CD1-CG 4.31Å; L45-R49 HydrophobicContact CG-CG 4.47Å; L45-R49 WeakPolarHBondContact O-CB 3.27Å; L45-R49 VanDerWaalsContact O-CG 3.3Å; L45-R49 WeakPolarHBondContact O-CG 3.46Å; L45-R49 PolarHBondContact O-N 3.44Å; L45-H79 HydrophobicContact CD2-CB 4.14Å; L45-F83 HydrophobicContact CD1-CB 3.64Å; L45-F83 HydrophobicContact CD1-CG 4.06Å
46E95.9Very high94.3Very high101 Ų10138.2 Ų38.247%0.47219%0.189SC..Hα-helixtrans-69-37.2-176.2-64.5-54.5118.500112.1L14 N44 R49 L50L14-E46 HydrophobicContact CD1-CB 4.21Å; L14-E46 HydrophobicContact CD2-CB 4.03Å; N44-E46 VanDerWaalsContact C-N 3.33Å; N44-E46 PolarHBondContact O-N 2.79Å; E46-R49 IonicContact OE1-CZ 3.14Å; E46-R49 IonicContact OE1-NE 3.75Å; E46-R49 IonicContact OE1-NH1 2.68Å; E46-R49 PolarHBondContact OE1-NH1 3.38Å; E46-L50 WeakPolarHBondContact O-CB 3.19Å; E46-L50 PolarHBondContact O-N 3.09Å
47S95.2Very high94.1Very high2 Ų241.5 Ų41.51%0.01421%0.207CC..Hα-helixtrans-66.2-43.8172.4-67.70000110.8G12 L14 L17 N44 R49 L50 I51G12-S47 WeakPolarHBondContact CA-OG 3.43Å; L14-S47 WeakPolarHBondContact CD2-OG 3.32Å; L17-S47 WeakPolarHBondContact CD1-OG 3.24Å; N44-S47 PolarHBondContact O-N 3.34Å; S47-R49 PolarHBondContact O-N 3.33Å; S47-L50 PolarHBondContact O-N 3.22Å; S47-I51 WeakPolarHBondContact O-CB 3.23Å; S47-I51 WeakPolarHBondContact O-CD1 3.35Å; S47-I51 WeakPolarHBondContact O-CG1 3.48Å; S47-I51 PolarHBondContact O-N 3.45Å
48L95.5Very high93.9Very high0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-59.9-46.5178.2-17165.3000111.6T36 A39 A40 N44 L45 L50 I51 V52 C80 F83 L84T36-L48 HydrophobicContact CG2-CD1 3.7Å; A39-L48 HydrophobicContact CB-CB 4.07Å; A39-L48 HydrophobicContact CB-CD1 4.13Å; A40-L48 HydrophobicContact CB-CD1 4.25Å; N44-L48 WeakPolarHBondContact O-CB 3.29Å; N44-L48 PolarHBondContact O-N 3.05Å; L45-L48 WeakPolarHBondContact O-CB 3.38Å; L45-L48 PolarHBondContact O-N 3.32Å; L48-L50 PolarHBondContact O-N 2.65Å; L48-I51 PolarHBondContact O-N 3.1Å; L48-V52 WeakPolarHBondContact O-CB 3.35Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.43Å; L48-V52 PolarHBondContact O-N 2.92Å; L48-C80 HydrophobicContact CD2-CB 3.83Å; L48-F83 HydrophobicContact CD2-CD1 3.87Å; L48-F83 HydrophobicContact CD2-CE1 4.43Å; L48-F83 HydrophobicContact CG-CD1 3.98Å; L48-F83 HydrophobicContact CG-CE1 4.06Å; L48-L84 HydrophobicContact CD1-CD2 4.35Å; L48-L84 HydrophobicContact CD2-CD1 4.19Å; L48-L84 HydrophobicContact CD2-CD2 4.14Å; L48-L84 HydrophobicContact CD2-CG 3.96Å; L48-L84 HydrophobicContact CG-CD2 4.45Å
49R95.1Very high93.7Very high111 Ų11141.7 Ų41.742%0.41921%0.213SC..Hα-helixtrans-57.2-49.3174.8-77.5170.6173.2-175-5.4111.9L45 E46 S47 S53 F83L45-R49 HydrophobicContact CD1-CG 4.31Å; L45-R49 HydrophobicContact CG-CG 4.47Å; L45-R49 WeakPolarHBondContact O-CB 3.27Å; L45-R49 VanDerWaalsContact O-CG 3.3Å; L45-R49 WeakPolarHBondContact O-CG 3.46Å; L45-R49 PolarHBondContact O-N 3.44Å; E46-R49 IonicContact OE1-CZ 3.14Å; E46-R49 IonicContact OE1-NE 3.75Å; E46-R49 IonicContact OE1-NH1 2.68Å; E46-R49 PolarHBondContact OE1-NH1 3.38Å; S47-R49 PolarHBondContact O-N 3.33Å; R49-S53 VanDerWaalsContact O-CB 3.3Å; R49-S53 WeakPolarHBondContact O-CB 3.21Å; R49-S53 PolarHBondContact O-N 3.03Å; R49-S53 PolarHBondContact O-OG 3.49Å; R49-F83 HydrophobicContact CB-CE2 4.37Å; R49-F83 HydrophobicContact CB-CZ 4.18Å; R49-F83 HydrophobicContact CG-CD1 4.26Å; R49-F83 HydrophobicContact CG-CD2 3.73Å; R49-F83 HydrophobicContact CG-CE1 4.07Å; R49-F83 HydrophobicContact CG-CE2 3.53Å; R49-F83 HydrophobicContact CG-CG 4.1Å; R49-F83 HydrophobicContact CG-CZ 3.72Å
50L94.6Very high93.4Very high29 Ų2945.8 Ų45.815%0.15223%0.231CC..Hα-helixtrans-63.3-47.9-179.3-177.963.9000111.5L14 L17 K18 E46 S47 L48 V52 S53 R54L14-L50 HydrophobicContact CB-CD2 4.38Å; L14-L50 HydrophobicContact CD2-CD2 4.38Å; L14-L50 WeakPolarHBondContact O-CD2 3.42Å; L17-L50 HydrophobicContact CB-CD2 3.61Å; L17-L50 HydrophobicContact CB-CG 4.46Å; K18-L50 HydrophobicContact CG-CD1 4.22Å; K18-L50 HydrophobicContact CG-CD2 3.85Å; E46-L50 WeakPolarHBondContact O-CB 3.19Å; E46-L50 PolarHBondContact O-N 3.09Å; S47-L50 PolarHBondContact O-N 3.22Å; L48-L50 PolarHBondContact O-N 2.65Å; L50-V52 PolarHBondContact O-N 3.39Å; L50-S53 PolarHBondContact O-N 3.09Å; L50-S53 PolarHBondContact O-OG 2.9Å; L50-R54 HydrophobicContact CD1-CG 4.47Å; L50-R54 WeakPolarHBondContact O-CG 3.46Å; L50-R54 PolarHBondContact O-N 3.32Å
51I94Very high93.3Very high1 Ų146.8 Ų46.81%0.00524%0.238CC..Hα-helixtrans-60.8-48.1-178.9-68.9164.6000110.9A9 L17 L25 P35 T36 A39 S47 L48 S53 R54 G55 G56A9-I51 HydrophobicContact CB-CD1 3.65Å; L17-I51 HydrophobicContact CD1-CD1 4.1Å; L17-I51 HydrophobicContact CD1-CG1 4.21Å; L17-I51 HydrophobicContact CD2-CD1 4.09Å; L17-I51 HydrophobicContact CD2-CG1 4.09Å; L25-I51 HydrophobicContact CB-CG2 4.34Å; L25-I51 HydrophobicContact CD1-CG2 4.34Å; L25-I51 HydrophobicContact CD2-CB 4.47Å; L25-I51 HydrophobicContact CD2-CG1 4Å; L25-I51 HydrophobicContact CD2-CG2 4.07Å; L25-I51 HydrophobicContact CG-CG2 4.48Å; P35-I51 HydrophobicContact CB-CD1 4.13Å; T36-I51 VanDerWaalsContact OG1-CG2 3.27Å; T36-I51 WeakPolarHBondContact OG1-CG2 3.35Å; A39-I51 HydrophobicContact CB-CD1 4.1Å; S47-I51 WeakPolarHBondContact O-CB 3.23Å; S47-I51 WeakPolarHBondContact O-CD1 3.35Å; S47-I51 WeakPolarHBondContact O-CG1 3.48Å; S47-I51 PolarHBondContact O-N 3.45Å; L48-I51 PolarHBondContact O-N 3.1Å; I51-S53 VanDerWaalsContact C-N 3.35Å; I51-S53 PolarHBondContact O-N 2.77Å; I51-R54 PolarHBondContact O-N 2.86Å; I51-R54 VanDerWaalsContact O-N 3.15Å; I51-G55 PolarHBondContact O-N 3.16Å; I51-G56 PolarHBondContact O-N 3.43Å
52V93.6Very high93.1Very high5 Ų542.7 Ų42.73%0.0322%0.222CC..Hα-helixtrans-64-41.3179.1172.40000110.8T36 L48 L50 R54 G55 F83 F87T36-V52 HydrophobicContact CG2-CG2 4.16Å; L48-V52 WeakPolarHBondContact O-CB 3.35Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.43Å; L48-V52 PolarHBondContact O-N 2.92Å; L50-V52 PolarHBondContact O-N 3.39Å; V52-R54 PolarHBondContact O-N 3.06Å; V52-G55 PolarHBondContact O-N 3.42Å; V52-F83 HydrophobicContact CB-CE1 4.21Å; V52-F83 HydrophobicContact CB-CZ 4.24Å; V52-F83 HydrophobicContact CG1-CE1 4.49Å; V52-F83 HydrophobicContact CG1-CZ 4.3Å; V52-F83 HydrophobicContact CG2-CE1 4.15Å; V52-F87 HydrophobicContact CG1-CD1 3.74Å; V52-F87 HydrophobicContact CG1-CD2 3.52Å; V52-F87 HydrophobicContact CG1-CE1 3.46Å; V52-F87 VanDerWaalsContact CG1-CE1 3.46Å; V52-F87 HydrophobicContact CG1-CE2 3.24Å; V52-F87 HydrophobicContact CG1-CG 3.77Å; V52-F87 HydrophobicContact CG1-CZ 3.19Å
53S92.3Very high92.8Very high85 Ų8543.5 Ų43.559%0.59423%0.228SC*.Hα-helixtrans-62.1-27175.877.10000113.7R49 L50 I51 G55R49-S53 VanDerWaalsContact O-CB 3.3Å; R49-S53 WeakPolarHBondContact O-CB 3.21Å; R49-S53 PolarHBondContact O-N 3.03Å; R49-S53 PolarHBondContact O-OG 3.49Å; L50-S53 PolarHBondContact O-N 3.09Å; L50-S53 PolarHBondContact O-OG 2.9Å; I51-S53 VanDerWaalsContact C-N 3.35Å; I51-S53 PolarHBondContact O-N 2.77Å; S53-G55 VanDerWaalsContact C-N 3.33Å
54R91.4Very high92.6Very high117 Ų11749 Ų4944%0.44224%0.242SC..THydrogen-bonded Turntrans-90.67177.7-68.1-63.7-169.8101.92.4113.5K18 L25 L50 I51 V52K18-R54 VanDerWaalsContact O-CZ 3.29Å; K18-R54 PolarHBondContact O-NH1 3.42Å; K18-R54 PolarHBondContact O-NH2 3.43Å; K18-R54 VanDerWaalsContact O-NH2 3.16Å; L25-R54 HydrophobicContact CD1-CB 3.5Å; L25-R54 VanDerWaalsContact CD1-CB 3.5Å; L50-R54 HydrophobicContact CD1-CG 4.47Å; L50-R54 WeakPolarHBondContact O-CG 3.46Å; L50-R54 PolarHBondContact O-N 3.32Å; I51-R54 PolarHBondContact O-N 2.86Å; I51-R54 VanDerWaalsContact O-N 3.15Å; V52-R54 PolarHBondContact O-N 3.06Å
55G89.6Confident92.4Very high24 Ų2447.1 Ų47.125%0.24723%0.233CC..THydrogen-bonded Turntrans92.220.6175.400000114.7R22 N26 I51 V52 S53R22-G55 WeakPolarHBondContact CG-O 3.5Å; R22-G55 PolarHBondContact NE-O 3.23Å; N26-G55 PolarHBondContact ND2-O 3.27Å; I51-G55 PolarHBondContact O-N 3.16Å; V52-G55 PolarHBondContact O-N 3.42Å; S53-G55 VanDerWaalsContact C-N 3.33Å
56G90.8Very high92.3Very high4 Ų446.3 Ų46.34%0.04123%0.228CC..  trans-62.6134.816100000110.5I51 P58I51-G56 PolarHBondContact O-N 3.43Å; G56-P58 WeakPolarHBondContact O-CD 3.46Å
57D90.8Very high92.3Very high69 Ų6941.8 Ų41.837%0.36921%0.208SC..  trans-85116.4-177.2-171.9-10000110.5N26 D59 K60N26-D57 WeakPolarHBondContact OD1-CB 3.31Å; N26-D57 PolarHBondContact OD1-N 3.03Å; D57-D59 VanDerWaalsContact C-N 3.31Å; D57-D59 PolarHBondContact OD1-N 3.34Å; D57-K60 HydrophobicContact CB-CB 4.17Å
58P90.3Very high92.3Very high15 Ų1541.7 Ų41.710%0.09721%0.207CC..THydrogen-bonded Turntrans-79.1-10.3-179.535.1-38.4000113.7G56 P68 L84 F87G56-P58 WeakPolarHBondContact O-CD 3.46Å; P58-P68 VanDerWaalsContact O-CD 3.25Å; P58-P68 WeakPolarHBondContact O-CD 3.37Å; P58-P68 WeakPolarHBondContact O-CG 3.46Å; P58-L84 HydrophobicContact CB-CD2 4.02Å; P58-F87 HydrophobicContact CB-CD1 4.43Å; P58-F87 HydrophobicContact CG-CD1 3.76Å; P58-F87 HydrophobicContact CG-CE1 3.77Å
59D89.6Confident92.4Very high45 Ų4541.8 Ų41.824%0.24121%0.208CC..THydrogen-bonded Turntrans-95.4-7.6177.3-76.1-20.2000112D57D57-D59 VanDerWaalsContact C-N 3.31Å; D57-D59 PolarHBondContact OD1-N 3.34Å
60K90.6Very high92.4Very high85 Ų8536.5 Ų36.537%0.3719%0.188SC..  trans-66.1134.2178.8-163.296.4179.3-162.40110.4T34 D57 P68T34-K60 HydrophobicContact CG2-CG 3.93Å; D57-K60 HydrophobicContact CB-CB 4.17Å; K60-P68 WeakPolarHBondContact O-CD 3.5Å
61C92.4Very high92.5Very high22 Ų2235.8 Ų35.815%0.14918%0.184CC..  trans-112164.4-179.3690000113N66 T67 R146C61-N66 CarbonylContact C-O 3.57Å; C61-N66 WeakPolarHBondContact CA-O 3.5Å; C61-N66 VanDerWaalsContact CB-O 3.27Å; C61-N66 WeakPolarHBondContact CB-O 3.37Å; C61-T67 HydrophobicContact CB-CG2 4.21Å; C61-R146 PolarHBondContact SG-NE 2.98Å
62D92.2Very high92.6Very high9 Ų935.7 Ų35.75%0.04818%0.183CC..  trans-77.2-173.9169.967.913.2000112.6M33 L37 W64 G65 N66M33-D62 HydrophobicContact CG-CB 4.25Å; M33-D62 HydrophobicContact SD-CB 3.63Å; L37-D62 HydrophobicContact CD1-CB 4.31Å; D62-W64 HydrophobicContact CB-CE3 4.38Å; D62-W64 PolarHBondContact O-N 3.36Å; D62-W64 VanDerWaalsContact OD1-C 3.3Å; D62-W64 WeakPolarHBondContact OD1-CA 3.5Å; D62-W64 PolarHBondContact OD1-N 2.93Å; D62-G65 PolarHBondContact O-N 2.95Å; D62-G65 PolarHBondContact OD1-N 3.45Å; D62-N66 PolarHBondContact N-O 3.01Å; D62-N66 PolarHBondContact OD1-N 2.9Å; D62-N66 VanDerWaalsContact OD2-CB 3.31Å; D62-N66 WeakPolarHBondContact OD2-CB 3.33Å; D62-N66 PolarHBondContact OD2-ND2 3.47Å
63I89Confident92.8Very high91 Ų9135.5 Ų35.547%0.46718%0.182SC..THydrogen-bonded Turntrans-64.9-23.5176.961.2178000113.9D31 G65 N96D31-I63 WeakPolarHBondContact O-CG1 3.37Å; D31-I63 WeakPolarHBondContact O-CG2 3.37Å; D31-I63 PolarHBondContact O-N 3.2Å; I63-G65 VanDerWaalsContact C-N 3.33Å; I63-N96 PolarHBondContact O-ND2 3.5Å
64W89.6Confident92.9Very high138 Ų13832.2 Ų32.252%0.52316%0.159SC..THydrogen-bonded Turntrans-89.3-2.4177.9-58.7-74.8000112.6D31 D62 N66 N96D31-W64 HydrophobicContact CB-CH2 4.35Å; D31-W64 HydrophobicContact CB-CZ3 4.37Å; D62-W64 HydrophobicContact CB-CE3 4.38Å; D62-W64 PolarHBondContact O-N 3.36Å; D62-W64 VanDerWaalsContact OD1-C 3.3Å; D62-W64 WeakPolarHBondContact OD1-CA 3.5Å; D62-W64 PolarHBondContact OD1-N 2.93Å; W64-N66 VanDerWaalsContact C-N 3.34Å; W64-N96 VanDerWaalsContact C-CG 3.45Å; W64-N96 WeakPolarHBondContact CA-ND2 3.37Å; W64-N96 VanDerWaalsContact O-CB 3.23Å; W64-N96 WeakPolarHBondContact O-CB 3.3Å; W64-N96 PolarHBondContact O-N 2.82Å; W64-N96 PolarHBondContact O-ND2 3.4Å; W64-N96 VanDerWaalsContact O-ND2 3.15Å
65G91.7Very high93.1Very high2 Ų229 Ų292%0.02115%0.15CC..  trans85.24.8-179.500000113.7D62 I63 T67D62-G65 PolarHBondContact O-N 2.95Å; D62-G65 PolarHBondContact OD1-N 3.45Å; I63-G65 VanDerWaalsContact C-N 3.33Å; G65-T67 PolarHBondContact O-N 2.96Å
66N94.4Very high93.4Very high18 Ų1829.1 Ų29.110%0.09615%0.152CC..  trans-71.3125.1176.6-54.9-57.8000109.8L37 C61 D62 W64 H70 L71L37-N66 WeakPolarHBondContact CD2-O 3.34Å; C61-N66 CarbonylContact C-O 3.57Å; C61-N66 WeakPolarHBondContact CA-O 3.5Å; C61-N66 VanDerWaalsContact CB-O 3.27Å; C61-N66 WeakPolarHBondContact CB-O 3.37Å; D62-N66 PolarHBondContact N-O 3.01Å; D62-N66 PolarHBondContact OD1-N 2.9Å; D62-N66 VanDerWaalsContact OD2-CB 3.31Å; D62-N66 WeakPolarHBondContact OD2-CB 3.33Å; D62-N66 PolarHBondContact OD2-ND2 3.47Å; W64-N66 VanDerWaalsContact C-N 3.34Å; N66-H70 HydrophobicContact CB-CB 3.95Å; N66-L71 HydrophobicContact CB-CD2 3.71Å; N66-L71 HydrophobicContact CB-CG 4.15Å
67T95.3Very high93.7Very high6 Ų631.6 Ų31.64%0.03716%0.162CC..  trans-84.8166.4168.564.60000110.3C61 G65 L69 H70 L71 C93C61-T67 HydrophobicContact CB-CG2 4.21Å; G65-T67 PolarHBondContact O-N 2.96Å; T67-L69 PolarHBondContact O-N 3.07Å; T67-L69 VanDerWaalsContact O-N 3.1Å; T67-H70 PolarHBondContact N-ND1 2.68Å; T67-H70 WeakPolarHBondContact O-CB 3.4Å; T67-H70 PolarHBondContact O-N 2.72Å; T67-H70 PolarHBondContact OG1-ND1 2.8Å; T67-L71 PolarHBondContact O-N 3.22Å; T67-L71 VanDerWaalsContact O-N 3.13Å; T67-C93 HydrophobicContact CG2-CB 4.01Å; T67-C93 PolarHBondContact OG1-SG 3.39Å
68P95.9Very high93.9Very high0 Ų030.9 Ų30.90%016%0.158CC..Hα-helixtrans-50.7-34.1172.3-30.735.5000113.5T36 L37 A40 P58 K60 L71 A72 L84T36-P68 HydrophobicContact CG2-CB 4.5Å; T36-P68 HydrophobicContact CG2-CG 3.96Å; L37-P68 HydrophobicContact CD2-CG 3.99Å; L37-P68 HydrophobicContact CG-CG 4.18Å; A40-P68 HydrophobicContact CB-CB 3.81Å; A40-P68 WeakPolarHBondContact CB-O 3.31Å; P58-P68 VanDerWaalsContact O-CD 3.25Å; P58-P68 WeakPolarHBondContact O-CD 3.37Å; P58-P68 WeakPolarHBondContact O-CG 3.46Å; K60-P68 WeakPolarHBondContact O-CD 3.5Å; P68-L71 PolarHBondContact O-N 3.04Å; P68-A72 WeakPolarHBondContact O-CB 3.39Å; P68-A72 PolarHBondContact O-N 3.06Å; P68-L84 HydrophobicContact CB-CD1 3.76Å; P68-L84 HydrophobicContact CB-CD2 4.14Å
69L96.4Very high94.2Very high2 Ų236.6 Ų36.61%0.0118%0.183CC..Hα-helixtrans-62.8-45173.8-84.7164.2000112.1T67 A73 L81 L84 V85 A89 N90 P101T67-L69 PolarHBondContact O-N 3.07Å; T67-L69 VanDerWaalsContact O-N 3.1Å; L69-A73 VanDerWaalsContact O-CB 3.23Å; L69-A73 WeakPolarHBondContact O-CB 3.31Å; L69-A73 PolarHBondContact O-N 2.67Å; L69-L81 HydrophobicContact CD2-CD2 3.6Å; L69-L81 WeakPolarHBondContact O-CD2 3.43Å; L69-L84 HydrophobicContact CD2-CB 3.84Å; L69-L84 HydrophobicContact CD2-CD1 4.39Å; L69-L84 HydrophobicContact CG-CB 4.06Å; L69-L84 HydrophobicContact CG-CD1 4.25Å; L69-V85 HydrophobicContact CD2-CG2 3.9Å; L69-A89 HydrophobicContact CD1-CB 3.51Å; L69-A89 HydrophobicContact CG-CB 4.13Å; L69-N90 WeakPolarHBondContact CD1-O 3.46Å; L69-P101 HydrophobicContact CB-CB 4.23Å; L69-P101 HydrophobicContact CB-CG 3.83Å
70H96.5Very high94.6Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-62-44.2177.1-68.793.2000111.4N66 T67 A73 S74 C93 H99 P101N66-H70 HydrophobicContact CB-CB 3.95Å; T67-H70 PolarHBondContact N-ND1 2.68Å; T67-H70 WeakPolarHBondContact O-CB 3.4Å; T67-H70 PolarHBondContact O-N 2.72Å; T67-H70 PolarHBondContact OG1-ND1 2.8Å; H70-A73 PolarHBondContact O-N 3.45Å; H70-S74 VanDerWaalsContact O-CB 3.25Å; H70-S74 WeakPolarHBondContact O-CB 3.39Å; H70-S74 PolarHBondContact O-N 3.47Å; H70-C93 PolarHBondContact CE1-O 3.32Å; H70-C93 PolarHBondContact CE1-SG 3.31Å; H70-C93 PolarHBondContact NE2-O 2.72Å; H70-H99 PolarHBondContact NE2-O 3.16Å; H70-P101 WeakPolarHBondContact NE2-CD 3.47Å
71L95.9Very high94.8Very high13 Ų1330.4 Ų30.47%0.06815%0.154CC..Hα-helixtrans-67.6-43.7-178.7-59.7-175.1000112M33 L37 Y41 N66 T67 P68 A73 S74 N75M33-L71 HydrophobicContact CE-CD1 3.71Å; M33-L71 HydrophobicContact SD-CD1 4.04Å; L37-L71 HydrophobicContact CB-CD1 3.92Å; L37-L71 HydrophobicContact CD2-CD1 3.46Å; L37-L71 VanDerWaalsContact CD2-CD1 3.46Å; L37-L71 HydrophobicContact CD2-CG 4.2Å; L37-L71 HydrophobicContact CG-CD1 4.32Å; Y41-L71 HydrophobicContact CD2-CB 4.39Å; Y41-L71 HydrophobicContact CD2-CD1 4.44Å; Y41-L71 HydrophobicContact CD2-CD2 4.22Å; N66-L71 HydrophobicContact CB-CD2 3.71Å; N66-L71 HydrophobicContact CB-CG 4.15Å; T67-L71 PolarHBondContact O-N 3.22Å; T67-L71 VanDerWaalsContact O-N 3.13Å; P68-L71 PolarHBondContact O-N 3.04Å; L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 3.26Å; L71-S74 PolarHBondContact O-N 3Å; L71-N75 PolarHBondContact O-N 3.43Å; L71-N75 VanDerWaalsContact O-N 3.16Å
72A96.6Very high95Very high0 Ų031.1 Ų31.10%016%0.159CC..Hα-helixtrans-63.8-37.5175.700000111.9A40 P68 G76 H77 C80 L81 L84A40-A72 HydrophobicContact CB-CB 4.45Å; P68-A72 WeakPolarHBondContact O-CB 3.39Å; P68-A72 PolarHBondContact O-N 3.06Å; A72-G76 PolarHBondContact O-N 3.44Å; A72-H77 HydrophobicContact CB-CB 4.44Å; A72-H77 PolarHBondContact O-N 2.92Å; A72-C80 HydrophobicContact CB-CB 4.02Å; A72-L81 HydrophobicContact CB-CD2 4.1Å; A72-L81 HydrophobicContact CB-CG 3.83Å; A72-L84 HydrophobicContact CB-CD1 4.43Å
73A96.9Very high95.2Very high0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-67.4-45.2174.200000113.2L69 H70 L71 N75 G76 L81 P101 A105 H110 L117L69-A73 VanDerWaalsContact O-CB 3.23Å; L69-A73 WeakPolarHBondContact O-CB 3.31Å; L69-A73 PolarHBondContact O-N 2.67Å; H70-A73 PolarHBondContact O-N 3.45Å; L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 3.26Å; A73-N75 PolarHBondContact O-N 3.36Å; A73-G76 PolarHBondContact O-N 2.95Å; A73-L81 HydrophobicContact CB-CD1 4.12Å; A73-L81 HydrophobicContact CB-CD2 4.11Å; A73-P101 HydrophobicContact CB-CB 4.11Å; A73-P101 WeakPolarHBondContact CB-O 3.37Å; A73-A105 HydrophobicContact CB-CB 4.05Å; A73-H110 PolarHBondContact O-CD2 3.49Å; A73-L117 HydrophobicContact CB-CD1 4.41Å
74S96.1Very high95.5Very high16 Ų1628.1 Ų28.111%0.11214%0.143CC..Hα-helixtrans-65.8-27.5-177.3-166.80000112.9H70 L71 K108 H110H70-S74 VanDerWaalsContact O-CB 3.25Å; H70-S74 WeakPolarHBondContact O-CB 3.39Å; H70-S74 PolarHBondContact O-N 3.47Å; L71-S74 PolarHBondContact O-N 3Å; S74-K108 WeakPolarHBondContact O-CG 3.46Å; S74-K108 WeakPolarHBondContact OG-CE 3.3Å; S74-H110 PolarHBondContact O-CD2 3.49Å; S74-H110 VanDerWaalsContact O-CD2 3.23Å; S74-H110 PolarHBondContact O-NE2 2.69Å; S74-H110 VanDerWaalsContact O-NE2 3.08Å
75N95.6Very high95.7Very high49 Ų4922.2 Ų22.226%0.26212%0.122SC..THydrogen-bonded Turntrans-102.83.9178.1-65.6-21.6000113.6Y41 L71 A73 H77Y41-N75 WeakPolarHBondContact CD2-ND2 3.43Å; Y41-N75 VanDerWaalsContact CE2-ND2 3.32Å; Y41-N75 WeakPolarHBondContact CE2-ND2 3.3Å; Y41-N75 PolarHBondContact O-ND2 3.19Å; L71-N75 PolarHBondContact O-N 3.43Å; L71-N75 VanDerWaalsContact O-N 3.16Å; A73-N75 PolarHBondContact O-N 3.36Å; N75-H77 PolarHBondContact O-N 3.3Å
76G95.6Very high95.9Very high27 Ų2726.9 Ų26.928%0.27815%0.154SC..THydrogen-bonded Turntrans7420.5175.100000115.1A72 A73 L78 H110A72-G76 PolarHBondContact O-N 3.44Å; A73-G76 PolarHBondContact O-N 2.95Å; G76-L78 VanDerWaalsContact C-N 3.34Å; G76-L78 PolarHBondContact O-N 2.8Å; G76-H110 PolarHBondContact N-CD2 2.94Å; G76-H110 VanDerWaalsContact N-CD2 3.26Å; G76-H110 PolarHBondContact N-NE2 2.76Å
77H96.6Very high95.8Very high57 Ų5731.2 Ų31.226%0.26417%0.172SC..  trans-82.674-178.3-61.9-43.8000112.1A40 Y41 G43 A72 N75 H79 C80 L81A40-H77 PolarHBondContact O-CD2 2.88Å; Y41-H77 PolarHBondContact O-CD2 2.91Å; Y41-H77 PolarHBondContact O-NE2 2.99Å; Y41-H77 VanDerWaalsContact O-NE2 3.1Å; G43-H77 WeakPolarHBondContact CA-CD2 3.3Å; G43-H77 VanDerWaalsContact CA-CG 3.44Å; G43-H77 PolarHBondContact N-CD2 3.28Å; G43-H77 VanDerWaalsContact N-CD2 3.26Å; G43-H77 PolarHBondContact N-NE2 3.13Å; A72-H77 HydrophobicContact CB-CB 4.44Å; A72-H77 PolarHBondContact O-N 2.92Å; N75-H77 PolarHBondContact O-N 3.3Å; H77-H79 VanDerWaalsContact C-N 3.28Å; H77-H79 PolarHBondContact O-N 2.84Å; H77-C80 HydrophobicContact CB-CB 4.13Å; H77-C80 PolarHBondContact O-N 3.37Å; H77-C80 VanDerWaalsContact O-N 3.08Å; H77-L81 PolarHBondContact O-N 2.74Å
78L95.9Very high95.6Very high53 Ų5333.8 Ų33.828%0.27720%0.2SC..Hα-helixtrans-52.5-41.4-177.3-179.862.9000113.4G76 C80 L81 S82 Y116G76-L78 VanDerWaalsContact C-N 3.34Å; G76-L78 PolarHBondContact O-N 2.8Å; L78-C80 PolarHBondContact O-N 3.29Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 3.12Å; L78-S82 WeakPolarHBondContact O-CB 3.41Å; L78-S82 PolarHBondContact O-N 3.33Å; L78-S82 PolarHBondContact O-OG 3.07Å; L78-Y116 HydrophobicContact CD1-CD1 3.93Å; L78-Y116 HydrophobicContact CD1-CD2 4.23Å; L78-Y116 HydrophobicContact CD1-CG 3.62Å
79H96.4Very high95.5Very high135 Ų13534.1 Ų34.163%0.62520%0.203SC*.Hα-helixtrans-64.4-41.5-179.9-59.4-48.8000112.4L45 H77 S82 F83L45-H79 HydrophobicContact CD2-CB 4.14Å; H77-H79 VanDerWaalsContact C-N 3.28Å; H77-H79 PolarHBondContact O-N 2.84Å; H79-S82 PolarHBondContact O-N 3.05Å; H79-S82 PolarHBondContact O-OG 2.63Å; H79-F83 PolarHBondContact O-N 2.67Å; H79-F83 VanDerWaalsContact O-N 3.13Å
80C96.2Very high95.3Very high1 Ų134.7 Ų34.71%0.00721%0.206CC..Hα-helixtrans-66.8-42.7175.4-71.60000111.4G43 L48 A72 H77 L78 S82 F83 L84G43-C80 PolarHBondContact O-SG 3.01Å; L48-C80 HydrophobicContact CD2-CB 3.83Å; A72-C80 HydrophobicContact CB-CB 4.02Å; H77-C80 HydrophobicContact CB-CB 4.13Å; H77-C80 PolarHBondContact O-N 3.37Å; H77-C80 VanDerWaalsContact O-N 3.08Å; L78-C80 PolarHBondContact O-N 3.29Å; C80-S82 PolarHBondContact O-N 3.47Å; C80-F83 PolarHBondContact O-N 3.37Å; C80-L84 WeakPolarHBondContact O-CG 3.42Å; C80-L84 PolarHBondContact O-N 3.28Å
81L95.7Very high95.2Very high0 Ų035.3 Ų35.30%021%0.209CC..Hα-helixtrans-55-52.3172.9-89176.5000111.7L69 A72 A73 H77 L78 F83 L84 V85 C113 L117L69-L81 HydrophobicContact CD2-CD2 3.6Å; L69-L81 WeakPolarHBondContact O-CD2 3.43Å; A72-L81 HydrophobicContact CB-CD2 4.1Å; A72-L81 HydrophobicContact CB-CG 3.83Å; A73-L81 HydrophobicContact CB-CD1 4.12Å; A73-L81 HydrophobicContact CB-CD2 4.11Å; H77-L81 PolarHBondContact O-N 2.74Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 3.12Å; L81-F83 VanDerWaalsContact C-N 3.26Å; L81-F83 PolarHBondContact O-N 3.39Å; L81-L84 PolarHBondContact O-N 2.96Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 3.47Å; L81-C113 HydrophobicContact CD1-CB 3.62Å; L81-C113 VanDerWaalsContact CD1-SG 3.58Å; L81-L117 HydrophobicContact CD1-CD1 4.34Å; L81-L117 HydrophobicContact CD2-CD1 4.44Å; L81-L117 HydrophobicContact CD2-CD2 4.36Å
82S96.1Very high95.2Very high36 Ų3635.8 Ų35.825%0.25221%0.21SC..Hα-helixtrans-60-37.6-177.872.70000112.6L78 H79 C80 S86 Y116L78-S82 WeakPolarHBondContact O-CB 3.41Å; L78-S82 PolarHBondContact O-N 3.33Å; L78-S82 PolarHBondContact O-OG 3.07Å; H79-S82 PolarHBondContact O-N 3.05Å; H79-S82 PolarHBondContact O-OG 2.63Å; C80-S82 PolarHBondContact O-N 3.47Å; S82-S86 VanDerWaalsContact O-CB 3.3Å; S82-S86 WeakPolarHBondContact O-CB 3.33Å; S82-S86 PolarHBondContact O-N 3.22Å; S82-S86 PolarHBondContact O-OG 3.15Å; S82-Y116 WeakPolarHBondContact CA-OH 3.35Å
83F96.6Very high95.1Very high38 Ų3836.3 Ų36.317%0.16721%0.213CC..Hα-helixtrans-66.6-47.5175.6170.8-104.1000112L45 L48 R49 V52 H79 C80 L81 V85 S86 F87L45-F83 HydrophobicContact CD1-CB 3.64Å; L45-F83 HydrophobicContact CD1-CG 4.06Å; L48-F83 HydrophobicContact CD2-CD1 3.87Å; L48-F83 HydrophobicContact CD2-CE1 4.43Å; L48-F83 HydrophobicContact CG-CD1 3.98Å; L48-F83 HydrophobicContact CG-CE1 4.06Å; R49-F83 HydrophobicContact CB-CE2 4.37Å; R49-F83 HydrophobicContact CB-CZ 4.18Å; R49-F83 HydrophobicContact CG-CD1 4.26Å; R49-F83 HydrophobicContact CG-CD2 3.73Å; R49-F83 HydrophobicContact CG-CE1 4.07Å; R49-F83 HydrophobicContact CG-CE2 3.53Å; R49-F83 HydrophobicContact CG-CG 4.1Å; R49-F83 HydrophobicContact CG-CZ 3.72Å; V52-F83 HydrophobicContact CB-CE1 4.21Å; V52-F83 HydrophobicContact CB-CZ 4.24Å; V52-F83 HydrophobicContact CG1-CE1 4.49Å; V52-F83 HydrophobicContact CG1-CZ 4.3Å; V52-F83 HydrophobicContact CG2-CE1 4.15Å; H79-F83 PolarHBondContact O-N 2.67Å; H79-F83 VanDerWaalsContact O-N 3.13Å; C80-F83 PolarHBondContact O-N 3.37Å; L81-F83 VanDerWaalsContact C-N 3.26Å; L81-F83 PolarHBondContact O-N 3.39Å; F83-V85 VanDerWaalsContact C-N 3.35Å; F83-V85 PolarHBondContact O-N 3.44Å; F83-S86 PolarHBondContact O-N 2.88Å; F83-F87 WeakPolarHBondContact O-CB 3.48Å; F83-F87 PolarHBondContact O-N 3.48Å
84L95.7Very high95Very high0 Ų037.5 Ų37.50%022%0.219CC..Hα-helixtrans-61.8-43179.7-70.9167.7000111.9L48 P58 P68 L69 A72 C80 L81 F87 G88 A89L48-L84 HydrophobicContact CD1-CD2 4.35Å; L48-L84 HydrophobicContact CD2-CD1 4.19Å; L48-L84 HydrophobicContact CD2-CD2 4.14Å; L48-L84 HydrophobicContact CD2-CG 3.96Å; L48-L84 HydrophobicContact CG-CD2 4.45Å; P58-L84 HydrophobicContact CB-CD2 4.02Å; P68-L84 HydrophobicContact CB-CD1 3.76Å; P68-L84 HydrophobicContact CB-CD2 4.14Å; L69-L84 HydrophobicContact CD2-CB 3.84Å; L69-L84 HydrophobicContact CD2-CD1 4.39Å; L69-L84 HydrophobicContact CG-CB 4.06Å; L69-L84 HydrophobicContact CG-CD1 4.25Å; A72-L84 HydrophobicContact CB-CD1 4.43Å; C80-L84 WeakPolarHBondContact O-CG 3.42Å; C80-L84 PolarHBondContact O-N 3.28Å; L81-L84 PolarHBondContact O-N 2.96Å; L84-F87 PolarHBondContact O-N 3.49Å; L84-G88 PolarHBondContact O-N 3.04Å; L84-A89 HydrophobicContact CB-CB 4.26Å; L84-A89 VanDerWaalsContact O-CB 3.23Å; L84-A89 WeakPolarHBondContact O-CB 3.37Å; L84-A89 PolarHBondContact O-N 3.44Å
85V94.8Very high94.9Very high14 Ų1437 Ų379%0.08522%0.216CC..Hα-helixtrans-60.8-46.4174.31720000110.9L69 L81 F83 F87 G88 I91 Y116 L117 I120L69-V85 HydrophobicContact CD2-CG2 3.9Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 3.47Å; F83-V85 VanDerWaalsContact C-N 3.35Å; F83-V85 PolarHBondContact O-N 3.44Å; V85-F87 VanDerWaalsContact C-N 3.26Å; V85-F87 PolarHBondContact O-N 3.28Å; V85-G88 PolarHBondContact O-N 2.89Å; V85-I91 HydrophobicContact CG1-CG2 4.37Å; V85-I91 HydrophobicContact CG2-CG2 3.79Å; V85-Y116 HydrophobicContact CB-CE1 4.48Å; V85-Y116 HydrophobicContact CG2-CE1 4.18Å; V85-L117 HydrophobicContact CG2-CD2 4.34Å; V85-I120 HydrophobicContact CG1-CG1 4.36Å; V85-I120 HydrophobicContact CG1-CG2 3.74Å
86S94.1Very high94.7Very high99 Ų9936.6 Ų36.669%0.69221%0.213SC*.Hα-helixtrans-65.2-30.6179.1-58.50000112.7S82 F83 G88S82-S86 VanDerWaalsContact O-CB 3.3Å; S82-S86 WeakPolarHBondContact O-CB 3.33Å; S82-S86 PolarHBondContact O-N 3.22Å; S82-S86 PolarHBondContact O-OG 3.15Å; F83-S86 PolarHBondContact O-N 2.88Å; S86-G88 PolarHBondContact O-N 3.3Å
87F92.8Very high94.5Very high109 Ų10941 Ų4148%0.47823%0.231SC..Hα-helixtrans-72.2-15.2174.1-168.4-96.4000112.9V52 P58 F83 L84 V85V52-F87 HydrophobicContact CG1-CD1 3.74Å; V52-F87 HydrophobicContact CG1-CD2 3.52Å; V52-F87 HydrophobicContact CG1-CE1 3.46Å; V52-F87 VanDerWaalsContact CG1-CE1 3.46Å; V52-F87 HydrophobicContact CG1-CE2 3.24Å; V52-F87 HydrophobicContact CG1-CG 3.77Å; V52-F87 HydrophobicContact CG1-CZ 3.19Å; P58-F87 HydrophobicContact CB-CD1 4.43Å; P58-F87 HydrophobicContact CG-CD1 3.76Å; P58-F87 HydrophobicContact CG-CE1 3.77Å; F83-F87 WeakPolarHBondContact O-CB 3.48Å; F83-F87 PolarHBondContact O-N 3.48Å; L84-F87 PolarHBondContact O-N 3.49Å; V85-F87 VanDerWaalsContact C-N 3.26Å; V85-F87 PolarHBondContact O-N 3.28Å
88G91.1Very high94.4Very high61 Ų6143 Ų4363%0.62924%0.237SC*.THydrogen-bonded Turntrans97.420.2178.500000114.4L84 V85 S86L84-G88 PolarHBondContact O-N 3.04Å; V85-G88 PolarHBondContact O-N 2.89Å; S86-G88 PolarHBondContact O-N 3.3Å
89A93.3Very high94.4Very high6 Ų643.1 Ų43.15%0.0524%0.236CC..  trans-62.2145.4171.500000110.8L69 L84 I91L69-A89 HydrophobicContact CD1-CB 3.51Å; L69-A89 HydrophobicContact CG-CB 4.13Å; L84-A89 HydrophobicContact CB-CB 4.26Å; L84-A89 VanDerWaalsContact O-CB 3.23Å; L84-A89 WeakPolarHBondContact O-CB 3.37Å; L84-A89 PolarHBondContact O-N 3.44Å; A89-I91 PolarHBondContact O-N 2.94Å
90N92.9Very high94.4Very high15 Ų1538 Ų388%0.0821%0.214CC..  trans-73.8109.3-176.2-178.112.7000111.6L69 W92 C93 L135L69-N90 WeakPolarHBondContact CD1-O 3.46Å; N90-W92 PolarHBondContact O-N 3.45Å; N90-W92 PolarHBondContact OD1-N 2.85Å; N90-W92 VanDerWaalsContact OD1-N 3.13Å; N90-C93 WeakPolarHBondContact O-CB 3.27Å; N90-C93 PolarHBondContact O-N 3.49Å; N90-C93 VanDerWaalsContact O-N 3.14Å; N90-C93 PolarHBondContact O-SG 2.89Å; N90-L135 PolarHBondContact ND2-O 3.47Å
91I94.9Very high94.4Very high12 Ų1238 Ų386%0.06221%0.214CC..THydrogen-bonded Turntrans-67.5-19.3179.965.3170.9000114.2V85 A89 C93 P101 I120 A121V85-I91 HydrophobicContact CG1-CG2 4.37Å; V85-I91 HydrophobicContact CG2-CG2 3.79Å; A89-I91 PolarHBondContact O-N 2.94Å; I91-C93 VanDerWaalsContact C-N 3.34Å; I91-P101 WeakPolarHBondContact O-CD 3.28Å; I91-I120 HydrophobicContact CD1-CG2 4.15Å; I91-A121 HydrophobicContact CD1-CB 4.03Å
92W94.8Very high94.5Very high24 Ų2440.3 Ų40.39%0.09123%0.226CC..THydrogen-bonded Turntrans-96.717.9176.6-54.9-76000112.4N90 Q124 V132 L135 K136 A139N90-W92 PolarHBondContact O-N 3.45Å; N90-W92 PolarHBondContact OD1-N 2.85Å; N90-W92 VanDerWaalsContact OD1-N 3.13Å; W92-Q124 HydrophobicContact CH2-CB 3.72Å; W92-Q124 HydrophobicContact CH2-CG 4.44Å; W92-Q124 HydrophobicContact CZ2-CB 4.18Å; W92-V132 HydrophobicContact CD2-CG1 4.18Å; W92-V132 HydrophobicContact CH2-CB 3.91Å; W92-V132 HydrophobicContact CH2-CG1 3.79Å; W92-V132 HydrophobicContact CH2-CG2 3.31Å; W92-V132 HydrophobicContact CZ2-CB 3.94Å; W92-V132 HydrophobicContact CZ2-CG1 3.32Å; W92-V132 HydrophobicContact CZ2-CG2 3.54Å; W92-V132 HydrophobicContact CZ3-CG1 4.41Å; W92-V132 HydrophobicContact CZ3-CG2 4.21Å; W92-L135 HydrophobicContact CE3-CB 3.62Å; W92-L135 HydrophobicContact CE3-CD1 3.95Å; W92-L135 HydrophobicContact CE3-CG 4.42Å; W92-L135 HydrophobicContact CH2-CD1 4.46Å; W92-L135 HydrophobicContact CZ3-CB 3.95Å; W92-L135 HydrophobicContact CZ3-CD1 3.42Å; W92-L135 VanDerWaalsContact CZ3-CD1 3.42Å; W92-L135 HydrophobicContact CZ3-CG 4.32Å; W92-K136 HydrophobicContact CB-CG 3.86Å; W92-K136 HydrophobicContact CD2-CG 4.25Å; W92-K136 HydrophobicContact CG-CG 3.71Å; W92-A139 WeakPolarHBondContact O-CB 3.25Å
93C94.5Very high94.5Very high10 Ų1041.7 Ų41.77%0.06823%0.23CC..  trans-56.6150.4171.658.20000110.5T67 H70 N90 I91 P101T67-C93 HydrophobicContact CG2-CB 4.01Å; T67-C93 PolarHBondContact OG1-SG 3.39Å; H70-C93 PolarHBondContact CE1-O 3.32Å; H70-C93 PolarHBondContact CE1-SG 3.31Å; H70-C93 PolarHBondContact NE2-O 2.72Å; N90-C93 WeakPolarHBondContact O-CB 3.27Å; N90-C93 PolarHBondContact O-N 3.49Å; N90-C93 VanDerWaalsContact O-N 3.14Å; N90-C93 PolarHBondContact O-SG 2.89Å; I91-C93 VanDerWaalsContact C-N 3.34Å; C93-P101 WeakPolarHBondContact O-CD 3.19Å; C93-P101 WeakPolarHBondContact SG-CG 3.44Å
94L95.5Very high94.4Very high25 Ų2541 Ų4113%0.13123%0.228CC..  trans-125.1136.8-177.3-62.6171.9000109.4Y98 H99 T100 A139 F140 A143L94-Y98 HydrophobicContact CD1-CD1 4.12Å; L94-H99 WeakPolarHBondContact CA-O 3.14Å; L94-T100 HydrophobicContact CD2-CG2 3.54Å; L94-A139 HydrophobicContact CD1-CB 4.45Å; L94-A139 HydrophobicContact CG-CB 4.29Å; L94-F140 HydrophobicContact CD1-CB 4.39Å; L94-F140 HydrophobicContact CD1-CD2 4.3Å; L94-A143 HydrophobicContact CB-CB 4.01Å
95D93.9Very high94.4Very high7 Ų741 Ų414%0.03723%0.228CC..  trans-74-174.6168.173.23000111.5D97 Y98 H99D95-D97 PolarHBondContact O-N 2.92Å; D95-D97 VanDerWaalsContact OD1-C 3.26Å; D95-D97 WeakPolarHBondContact OD1-CA 3.38Å; D95-D97 PolarHBondContact OD1-N 3.29Å; D95-Y98 PolarHBondContact O-N 3.25Å; D95-Y98 PolarHBondContact OD1-N 3.34Å; D95-H99 PolarHBondContact N-O 3.27Å; D95-H99 VanDerWaalsContact N-O 3.11Å; D95-H99 IonicContact OD1-CG 3.32Å; D95-H99 PolarHBondContact OD1-N 3.13Å; D95-H99 IonicContact OD1-ND1 2.76Å; D95-H99 IonicContact OD2-CG 3.72Å; D95-H99 IonicContact OD2-ND1 2.99Å; D95-H99 PolarHBondContact OD2-ND1 3Å
96N92.1Very high94.5Very high39 Ų3943 Ų4321%0.20925%0.246CC..THydrogen-bonded Turntrans-69-18.3178.4-72.1-17.9000113.8I63 W64 I147I63-N96 PolarHBondContact O-ND2 3.5Å; W64-N96 VanDerWaalsContact C-CG 3.45Å; W64-N96 WeakPolarHBondContact CA-ND2 3.37Å; W64-N96 VanDerWaalsContact O-CB 3.23Å; W64-N96 WeakPolarHBondContact O-CB 3.3Å; W64-N96 PolarHBondContact O-N 2.82Å; W64-N96 PolarHBondContact O-ND2 3.4Å; W64-N96 VanDerWaalsContact O-ND2 3.15Å; N96-I147 HydrophobicContact CB-CG1 4.28Å; N96-I147 VanDerWaalsContact O-CD1 3.24Å; N96-I147 WeakPolarHBondContact O-CD1 3.23Å
97D91.4Very high94.6Very high121 Ų12144 Ų4465%0.64724%0.241SC*.THydrogen-bonded Turntrans-98.55.9178.5-66.5-35.4000112.2D95 H99D95-D97 PolarHBondContact O-N 2.92Å; D95-D97 VanDerWaalsContact OD1-C 3.26Å; D95-D97 WeakPolarHBondContact OD1-CA 3.38Å; D95-D97 PolarHBondContact OD1-N 3.29Å; D97-H99 VanDerWaalsContact C-N 3.33Å; D97-H99 VanDerWaalsContact CB-CE1 3.46Å; D97-H99 WeakPolarHBondContact CB-CE1 3.27Å; D97-H99 WeakPolarHBondContact CB-ND1 3.43Å
98Y94.5Very high94.7Very high98 Ų9844.9 Ų44.938%0.38425%0.245SC..  trans65.626.2-177.6-56.7-89.7000115L94 D95 F140 A143 I147L94-Y98 HydrophobicContact CD1-CD1 4.12Å; D95-Y98 PolarHBondContact O-N 3.25Å; D95-Y98 PolarHBondContact OD1-N 3.34Å; Y98-F140 HydrophobicContact CD1-CD2 4.15Å; Y98-F140 HydrophobicContact CD1-CE2 4.01Å; Y98-F140 AromaticContact CE1-CD2 3.93Å; Y98-F140 HydrophobicContact CE1-CD2 3.93Å; Y98-F140 AromaticContact CE1-CE2 3.57Å; Y98-F140 HydrophobicContact CE1-CE2 3.57Å; Y98-F140 HydrophobicContact CE1-CZ 4.22Å; Y98-A143 HydrophobicContact CE1-CB 4.37Å; Y98-I147 HydrophobicContact CD2-CD1 4.49Å; Y98-I147 HydrophobicContact CE1-CD1 4.34Å; Y98-I147 HydrophobicContact CE2-CD1 3.66Å; Y98-I147 WeakPolarHBondContact OH-CD1 3.42Å
99H95.4Very high94.9Very high56 Ų5644.3 Ų44.326%0.25924%0.239SC..  trans-81.5143.3167.4-55111.3000110.6H70 L94 D95 D97 D103 M104H70-H99 PolarHBondContact NE2-O 3.16Å; L94-H99 WeakPolarHBondContact CA-O 3.14Å; D95-H99 PolarHBondContact N-O 3.27Å; D95-H99 VanDerWaalsContact N-O 3.11Å; D95-H99 IonicContact OD1-CG 3.32Å; D95-H99 PolarHBondContact OD1-N 3.13Å; D95-H99 IonicContact OD1-ND1 2.76Å; D95-H99 IonicContact OD2-CG 3.72Å; D95-H99 IonicContact OD2-ND1 2.99Å; D95-H99 PolarHBondContact OD2-ND1 3Å; D97-H99 VanDerWaalsContact C-N 3.33Å; D97-H99 VanDerWaalsContact CB-CE1 3.46Å; D97-H99 WeakPolarHBondContact CB-CE1 3.27Å; D97-H99 WeakPolarHBondContact CB-ND1 3.43Å; H99-D103 HydrophobicContact CB-CB 4.11Å; H99-M104 HydrophobicContact CB-CG 4.25Å
100T96.2Very high95Very high28 Ų2847 Ų4717%0.17225%0.25CS..  trans-87.2165.5168.164.90000110.9L94 L102 D103 M104L94-T100 HydrophobicContact CD2-CG2 3.54Å; T100-L102 PolarHBondContact O-N 2.67Å; T100-D103 WeakPolarHBondContact CB-OD2 3.39Å; T100-D103 PolarHBondContact N-OD2 3.45Å; T100-D103 PolarHBondContact O-N 2.86Å; T100-D103 VanDerWaalsContact O-N 3.09Å; T100-D103 PolarHBondContact OG1-N 2.95Å; T100-D103 PolarHBondContact OG1-OD2 3.47Å; T100-M104 PolarHBondContact O-N 2.7Å
101P96.1Very high95.2Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-56.5-32.5170.8-25.634.2000113L69 H70 A73 I91 C93 M104 A105 L117L69-P101 HydrophobicContact CB-CB 4.23Å; L69-P101 HydrophobicContact CB-CG 3.83Å; H70-P101 WeakPolarHBondContact NE2-CD 3.47Å; A73-P101 HydrophobicContact CB-CB 4.11Å; A73-P101 WeakPolarHBondContact CB-O 3.37Å; I91-P101 WeakPolarHBondContact O-CD 3.28Å; C93-P101 WeakPolarHBondContact O-CD 3.19Å; C93-P101 WeakPolarHBondContact SG-CG 3.44Å; P101-M104 PolarHBondContact O-N 2.87Å; P101-A105 PolarHBondContact O-N 3.27Å; P101-L117 HydrophobicContact CB-CD1 4.19Å
102L96.9Very high95.2Very high48 Ų4856.7 Ų56.725%0.25130%0.296SS..Hα-helixtrans-63.5-47.2175.3179.166.8000111T100 M104 A105 A106 V114 L117T100-L102 PolarHBondContact O-N 2.67Å; L102-M104 VanDerWaalsContact C-N 3.32Å; L102-M104 PolarHBondContact O-N 3.08Å; L102-A105 PolarHBondContact O-N 3.46Å; L102-A106 PolarHBondContact O-N 3.37Å; L102-V114 HydrophobicContact CD1-CB 4.22Å; L102-V114 HydrophobicContact CD1-CG1 3.82Å; L102-V114 HydrophobicContact CD1-CG2 4.49Å; L102-L117 HydrophobicContact CB-CB 4.49Å; L102-L117 HydrophobicContact CB-CD1 4.39Å; L102-L117 HydrophobicContact CD1-CB 3.82Å
103D96.2Very high95.3Very high65 Ų6555.6 Ų55.635%0.34829%0.293SS..Hα-helixtrans-61.5-42.7177.9-56.1-44.1000110.7H99 T100 A105 A106 M107H99-D103 HydrophobicContact CB-CB 4.11Å; T100-D103 WeakPolarHBondContact CB-OD2 3.39Å; T100-D103 PolarHBondContact N-OD2 3.45Å; T100-D103 PolarHBondContact O-N 2.86Å; T100-D103 VanDerWaalsContact O-N 3.09Å; T100-D103 PolarHBondContact OG1-N 2.95Å; T100-D103 PolarHBondContact OG1-OD2 3.47Å; D103-A105 PolarHBondContact O-N 2.81Å; D103-A106 PolarHBondContact O-N 3.26Å; D103-M107 WeakPolarHBondContact O-CB 3.34Å; D103-M107 WeakPolarHBondContact O-CG 3.23Å; D103-M107 PolarHBondContact O-N 2.94Å
104M95.4Very high95.4Very high24 Ų2456.4 Ų56.412%0.11830%0.297CS..Hα-helixtrans-62.9-40.1177.1-74.1-68.1-94.800113H99 T100 P101 L102 M107 K108H99-M104 HydrophobicContact CB-CG 4.25Å; T100-M104 PolarHBondContact O-N 2.7Å; P101-M104 PolarHBondContact O-N 2.87Å; L102-M104 VanDerWaalsContact C-N 3.32Å; L102-M104 PolarHBondContact O-N 3.08Å; M104-M107 HydrophobicContact SD-SD 4.32Å; M104-K108 VanDerWaalsContact O-CG 3.3Å; M104-K108 WeakPolarHBondContact O-CG 3.35Å; M104-K108 PolarHBondContact O-N 3.47Å
105A96.6Very high95.5Very high0 Ų063.4 Ų63.40%032%0.322CS..Hα-helixtrans-64.1-42.5173.600000111.5A73 P101 L102 D103 K108 G109 H110 C113 V114A73-A105 HydrophobicContact CB-CB 4.05Å; P101-A105 PolarHBondContact O-N 3.27Å; L102-A105 PolarHBondContact O-N 3.46Å; D103-A105 PolarHBondContact O-N 2.81Å; A105-K108 PolarHBondContact O-N 3.45Å; A105-G109 PolarHBondContact O-N 2.84Å; A105-G109 VanDerWaalsContact O-N 3.13Å; A105-H110 HydrophobicContact CB-CB 4.5Å; A105-H110 PolarHBondContact O-N 3.32Å; A105-C113 HydrophobicContact CB-CB 3.94Å; A105-V114 HydrophobicContact CB-CG2 3.73Å
106A96.6Very high95.7Very high55 Ų5565.6 Ų65.646%0.45533%0.33SS..Hα-helixtrans-65.8-44.5179.300000111.9L102 D103 K108 G109 V114L102-A106 PolarHBondContact O-N 3.37Å; D103-A106 PolarHBondContact O-N 3.26Å; A106-K108 PolarHBondContact O-N 3.37Å; A106-G109 PolarHBondContact O-N 3.2Å; A106-V114 HydrophobicContact CB-CG2 3.99Å
107M95.7Very high95.9Very high121 Ų12164 Ų6460%0.59632%0.322SS*.Hα-helixtrans-59.7-28.4176.9-72.8170.268.500113.2D103 M104D103-M107 WeakPolarHBondContact O-CB 3.34Å; D103-M107 WeakPolarHBondContact O-CG 3.23Å; D103-M107 PolarHBondContact O-N 2.94Å; M104-M107 HydrophobicContact SD-SD 4.32Å
108K94.5Very high96.1Very high127 Ų12762.8 Ų62.855%0.55232%0.315SS*.THydrogen-bonded Turntrans-96.1-3.2179.4-62.6-68.2-175.1-1770113.5S74 M104 A105 A106S74-K108 WeakPolarHBondContact O-CG 3.46Å; S74-K108 WeakPolarHBondContact OG-CE 3.3Å; M104-K108 VanDerWaalsContact O-CG 3.3Å; M104-K108 WeakPolarHBondContact O-CG 3.35Å; M104-K108 PolarHBondContact O-N 3.47Å; A105-K108 PolarHBondContact O-N 3.45Å; A106-K108 PolarHBondContact O-N 3.37Å
109G94.9Very high96.2Very high50 Ų5060.3 Ų60.352%0.51531%0.312SS..THydrogen-bonded Turntrans76.72017900000114.6A105 A106 M111A105-G109 PolarHBondContact O-N 2.84Å; A105-G109 VanDerWaalsContact O-N 3.13Å; A106-G109 PolarHBondContact O-N 3.2Å; G109-M111 PolarHBondContact O-N 2.97Å; G109-M111 VanDerWaalsContact O-N 3.08Å
110H96.8Very high96.2Very high61 Ų6158.9 Ų58.928%0.28231%0.306SS..  trans-86.472.9-179.4-64.4-47.1000111.8A73 S74 G76 A105 E112 C113 V114A73-H110 PolarHBondContact O-CD2 3.49Å; S74-H110 PolarHBondContact O-CD2 3.49Å; S74-H110 VanDerWaalsContact O-CD2 3.23Å; S74-H110 PolarHBondContact O-NE2 2.69Å; S74-H110 VanDerWaalsContact O-NE2 3.08Å; G76-H110 PolarHBondContact N-CD2 2.94Å; G76-H110 VanDerWaalsContact N-CD2 3.26Å; G76-H110 PolarHBondContact N-NE2 2.76Å; A105-H110 HydrophobicContact CB-CB 4.5Å; A105-H110 PolarHBondContact O-N 3.32Å; H110-E112 VanDerWaalsContact C-N 3.31Å; H110-E112 PolarHBondContact O-N 3.07Å; H110-C113 HydrophobicContact CB-CB 4.24Å; H110-C113 WeakPolarHBondContact O-CB 3.42Å; H110-C113 PolarHBondContact O-N 3.33Å; H110-V114 PolarHBondContact O-N 2.99Å; H110-V114 VanDerWaalsContact O-N 3.11Å
111M95.6Very high96.1Very high114 Ų11458.4 Ų58.456%0.56231%0.305SS*.Hα-helixtrans-58.5-36.1-171.8-62.5-52.7-66.400114.3G109 C113 V114 R115G109-M111 PolarHBondContact O-N 2.97Å; G109-M111 VanDerWaalsContact O-N 3.08Å; M111-C113 VanDerWaalsContact C-N 3.29Å; M111-C113 PolarHBondContact O-N 2.74Å; M111-V114 WeakPolarHBondContact O-CB 3.41Å; M111-V114 PolarHBondContact O-N 2.85Å; M111-V114 VanDerWaalsContact O-N 3.17Å; M111-R115 WeakPolarHBondContact O-CG 3.43Å; M111-R115 PolarHBondContact O-N 3.08Å
112E96Very high96.1Very high117 Ų11761 Ų6155%0.54733%0.327SS..Hα-helixtrans-60.5-39.6175.7-66.7-54.512600112.3H110 Y116H110-E112 VanDerWaalsContact C-N 3.31Å; H110-E112 PolarHBondContact O-N 3.07Å; E112-Y116 WeakPolarHBondContact O-CB 3.38Å; E112-Y116 PolarHBondContact O-N 3.06Å; E112-Y116 VanDerWaalsContact O-N 3.07Å
113C96.4Very high95.9Very high2 Ų264.4 Ų64.41%0.01434%0.339CS..Hα-helixtrans-70.7-37.6176.3-64.70000111.4L81 A105 H110 M111 Y116 L117L81-C113 HydrophobicContact CD1-CB 3.62Å; L81-C113 VanDerWaalsContact CD1-SG 3.58Å; A105-C113 HydrophobicContact CB-CB 3.94Å; H110-C113 HydrophobicContact CB-CB 4.24Å; H110-C113 WeakPolarHBondContact O-CB 3.42Å; H110-C113 PolarHBondContact O-N 3.33Å; M111-C113 VanDerWaalsContact C-N 3.29Å; M111-C113 PolarHBondContact O-N 2.74Å; C113-Y116 PolarHBondContact O-N 3.14Å; C113-L117 WeakPolarHBondContact O-CB 3.49Å; C113-L117 WeakPolarHBondContact O-CG 3.34Å; C113-L117 PolarHBondContact O-N 3.41Å
114V97.4Very high95.8Very high27 Ų2764.1 Ų64.116%0.16434%0.336CS..Hα-helixtrans-61.3-53.8175.4174.90000110.6L102 A105 A106 H110 M111 Y116 L117 D118L102-V114 HydrophobicContact CD1-CB 4.22Å; L102-V114 HydrophobicContact CD1-CG1 3.82Å; L102-V114 HydrophobicContact CD1-CG2 4.49Å; A105-V114 HydrophobicContact CB-CG2 3.73Å; A106-V114 HydrophobicContact CB-CG2 3.99Å; H110-V114 PolarHBondContact O-N 2.99Å; H110-V114 VanDerWaalsContact O-N 3.11Å; M111-V114 WeakPolarHBondContact O-CB 3.41Å; M111-V114 PolarHBondContact O-N 2.85Å; M111-V114 VanDerWaalsContact O-N 3.17Å; V114-Y116 VanDerWaalsContact C-N 3.29Å; V114-Y116 PolarHBondContact O-N 2.94Å; V114-L117 PolarHBondContact O-N 3.29Å; V114-D118 WeakPolarHBondContact O-CB 3.34Å; V114-D118 PolarHBondContact O-N 3.01Å
115R97.3Very high95.7Very high172 Ų17265.2 Ų65.265%0.64935%0.346SS*.Hα-helixtrans-57.4-43.4178.7-68.5178.677.7-1788.3111.5M111 S119M111-R115 WeakPolarHBondContact O-CG 3.43Å; M111-R115 PolarHBondContact O-N 3.08Å; R115-S119 WeakPolarHBondContact O-CB 3.43Å; R115-S119 PolarHBondContact O-N 3.3Å
116Y97.1Very high95.6Very high53 Ų5369.9 Ų69.921%0.20838%0.379CS..Hα-helixtrans-62-53.7177.2178.5-102.6000112L78 S82 V85 E112 C113 V114 D118 S119 I120L78-Y116 HydrophobicContact CD1-CD1 3.93Å; L78-Y116 HydrophobicContact CD1-CD2 4.23Å; L78-Y116 HydrophobicContact CD1-CG 3.62Å; S82-Y116 WeakPolarHBondContact CA-OH 3.35Å; V85-Y116 HydrophobicContact CB-CE1 4.48Å; V85-Y116 HydrophobicContact CG2-CE1 4.18Å; E112-Y116 WeakPolarHBondContact O-CB 3.38Å; E112-Y116 PolarHBondContact O-N 3.06Å; E112-Y116 VanDerWaalsContact O-N 3.07Å; C113-Y116 PolarHBondContact O-N 3.14Å; V114-Y116 VanDerWaalsContact C-N 3.29Å; V114-Y116 PolarHBondContact O-N 2.94Å; Y116-D118 VanDerWaalsContact C-N 3.34Å; Y116-D118 PolarHBondContact O-N 3.05Å; Y116-S119 PolarHBondContact O-N 3.35Å; Y116-S119 PolarHBondContact O-OG 3.01Å; Y116-I120 HydrophobicContact CE1-CG1 4.07Å; Y116-I120 HydrophobicContact CE2-CD1 4.27Å; Y116-I120 HydrophobicContact CE2-CG1 4.08Å; Y116-I120 WeakPolarHBondContact O-CG1 3.48Å; Y116-I120 PolarHBondContact O-N 3.37Å
117L96.1Very high95.5Very high6 Ų673.2 Ų73.23%0.03139%0.388CS..Hα-helixtrans-62.8-40-178-75.4172.7000112.2A73 L81 V85 P101 L102 C113 V114 I120 A121A73-L117 HydrophobicContact CB-CD1 4.41Å; L81-L117 HydrophobicContact CD1-CD1 4.34Å; L81-L117 HydrophobicContact CD2-CD1 4.44Å; L81-L117 HydrophobicContact CD2-CD2 4.36Å; V85-L117 HydrophobicContact CG2-CD2 4.34Å; P101-L117 HydrophobicContact CB-CD1 4.19Å; L102-L117 HydrophobicContact CB-CB 4.49Å; L102-L117 HydrophobicContact CB-CD1 4.39Å; L102-L117 HydrophobicContact CD1-CB 3.82Å; C113-L117 WeakPolarHBondContact O-CB 3.49Å; C113-L117 WeakPolarHBondContact O-CG 3.34Å; C113-L117 PolarHBondContact O-N 3.41Å; V114-L117 PolarHBondContact O-N 3.29Å; L117-I120 PolarHBondContact O-N 3.44Å; L117-A121 VanDerWaalsContact O-CB 3.29Å; L117-A121 WeakPolarHBondContact O-CB 3.39Å; L117-A121 PolarHBondContact O-N 3.15Å
118D96.3Very high95.4Very high95 Ų9572 Ų7251%0.50838%0.384SS..Hα-helixtrans-64.9-44.2176.5-169.344.5000111.5V114 Y116 I120 A121 A122V114-D118 WeakPolarHBondContact O-CB 3.34Å; V114-D118 PolarHBondContact O-N 3.01Å; Y116-D118 VanDerWaalsContact C-N 3.34Å; Y116-D118 PolarHBondContact O-N 3.05Å; D118-I120 VanDerWaalsContact C-N 3.28Å; D118-I120 PolarHBondContact O-N 2.97Å; D118-A121 PolarHBondContact O-N 3.41Å; D118-A121 VanDerWaalsContact O-N 3.17Å; D118-A122 WeakPolarHBondContact O-CB 3.39Å; D118-A122 PolarHBondContact O-N 3.1Å
119S96.4Very high95.3Very high45 Ų4570.2 Ų70.232%0.31539%0.386SS..Hα-helixtrans-59.2-39.2175.582.30000112.5R115 Y116 K123R115-S119 WeakPolarHBondContact O-CB 3.43Å; R115-S119 PolarHBondContact O-N 3.3Å; Y116-S119 PolarHBondContact O-N 3.35Å; Y116-S119 PolarHBondContact O-OG 3.01Å; S119-K123 WeakPolarHBondContact O-CB 3.16Å; S119-K123 WeakPolarHBondContact O-CD 3.36Å; S119-K123 WeakPolarHBondContact O-CG 3.17Å; S119-K123 PolarHBondContact O-N 2.87Å; S119-K123 VanDerWaalsContact O-N 3.1Å
120I95.6Very high95.3Very high26 Ų2676.5 Ų76.513%0.13340%0.398CS..Hα-helixtrans-72.9-41.7177.3-64.4-64.3000110.6V85 I91 Y116 L117 D118 A122 K123 Q124V85-I120 HydrophobicContact CG1-CG1 4.36Å; V85-I120 HydrophobicContact CG1-CG2 3.74Å; I91-I120 HydrophobicContact CD1-CG2 4.15Å; Y116-I120 HydrophobicContact CE1-CG1 4.07Å; Y116-I120 HydrophobicContact CE2-CD1 4.27Å; Y116-I120 HydrophobicContact CE2-CG1 4.08Å; Y116-I120 WeakPolarHBondContact O-CG1 3.48Å; Y116-I120 PolarHBondContact O-N 3.37Å; L117-I120 PolarHBondContact O-N 3.44Å; D118-I120 VanDerWaalsContact C-N 3.28Å; D118-I120 PolarHBondContact O-N 2.97Å; I120-A122 VanDerWaalsContact C-N 3.33Å; I120-A122 PolarHBondContact O-N 3.48Å; I120-K123 HydrophobicContact CD1-CD 4.49Å; I120-K123 PolarHBondContact O-N 3.36Å; I120-Q124 HydrophobicContact CG2-CG 4.19Å; I120-Q124 WeakPolarHBondContact O-CG 3.35Å; I120-Q124 PolarHBondContact O-N 3.21Å
121A94.4Very high95.1Very high18 Ų1878 Ų7815%0.14941%0.408CS..Hα-helixtrans-61.2-43.1178.100000111.5I91 L117 D118 Q124 S125I91-A121 HydrophobicContact CD1-CB 4.03Å; L117-A121 VanDerWaalsContact O-CB 3.29Å; L117-A121 WeakPolarHBondContact O-CB 3.39Å; L117-A121 PolarHBondContact O-N 3.15Å; D118-A121 PolarHBondContact O-N 3.41Å; D118-A121 VanDerWaalsContact O-N 3.17Å; A121-Q124 PolarHBondContact O-N 3.46Å; A121-S125 VanDerWaalsContact O-CB 3.27Å; A121-S125 WeakPolarHBondContact O-CB 3.32Å; A121-S125 PolarHBondContact O-N 3.17Å; A121-S125 PolarHBondContact O-OG 3Å
122A94.8Very high95Very high56 Ų5673 Ų7346%0.46338%0.384SS..Hα-helixtrans-61.7-47.5173.900000111.4D118 I120 Q124 S125 S126D118-A122 WeakPolarHBondContact O-CB 3.39Å; D118-A122 PolarHBondContact O-N 3.1Å; I120-A122 VanDerWaalsContact C-N 3.33Å; I120-A122 PolarHBondContact O-N 3.48Å; A122-Q124 PolarHBondContact O-N 2.97Å; A122-S125 PolarHBondContact O-N 3.01Å; A122-S126 PolarHBondContact O-N 3.37Å; A122-S126 PolarHBondContact O-OG 3.37Å
123K94.6Very high95Very high119 Ų11968.8 Ų68.852%0.51737%0.372SS..Hα-helixtrans-59.4-46176.2-75.1167.9-175.9171.40112.5S119 I120 S125 S126 L127S119-K123 WeakPolarHBondContact O-CB 3.16Å; S119-K123 WeakPolarHBondContact O-CD 3.36Å; S119-K123 WeakPolarHBondContact O-CG 3.17Å; S119-K123 PolarHBondContact O-N 2.87Å; S119-K123 VanDerWaalsContact O-N 3.1Å; I120-K123 HydrophobicContact CD1-CD 4.49Å; I120-K123 PolarHBondContact O-N 3.36Å; K123-S125 VanDerWaalsContact C-N 3.32Å; K123-S125 PolarHBondContact O-N 2.95Å; K123-S126 PolarHBondContact O-N 3.11Å; K123-S126 PolarHBondContact O-OG 3.45Å; K123-L127 WeakPolarHBondContact O-CB 3.33Å; K123-L127 WeakPolarHBondContact O-CD1 3.36Å; K123-L127 WeakPolarHBondContact O-CG 3.41Å; K123-L127 PolarHBondContact O-N 2.87Å
124Q93.1Very high94.9Very high58 Ų5875.5 Ų75.527%0.27140%0.401SS..Hα-helixtrans-69.3-33.8-180-68.3-174.2-5.700112W92 I120 A121 A122 N128 V132W92-Q124 HydrophobicContact CH2-CB 3.72Å; W92-Q124 HydrophobicContact CH2-CG 4.44Å; W92-Q124 HydrophobicContact CZ2-CB 4.18Å; I120-Q124 HydrophobicContact CG2-CG 4.19Å; I120-Q124 WeakPolarHBondContact O-CG 3.35Å; I120-Q124 PolarHBondContact O-N 3.21Å; A121-Q124 PolarHBondContact O-N 3.46Å; A122-Q124 PolarHBondContact O-N 2.97Å; Q124-N128 PolarHBondContact O-N 3.31Å; Q124-V132 HydrophobicContact CB-CG2 4.36Å; Q124-V132 WeakPolarHBondContact O-CG2 3.33Å
125S93.3Very high94.7Very high48 Ų4876.4 Ų76.434%0.33641%0.405SS..Hα-helixtrans-69-38.7176.5-59.80000112.4A121 A122 K123 P129A121-S125 VanDerWaalsContact O-CB 3.27Å; A121-S125 WeakPolarHBondContact O-CB 3.32Å; A121-S125 PolarHBondContact O-N 3.17Å; A121-S125 PolarHBondContact O-OG 3Å; A122-S125 PolarHBondContact O-N 3.01Å; K123-S125 VanDerWaalsContact C-N 3.32Å; K123-S125 PolarHBondContact O-N 2.95Å; S125-P129 WeakPolarHBondContact O-CD 3.47Å
126S94.4Very high94.6Very high98 Ų9873.3 Ų73.369%0.68540%0.396SS*.Hα-helixtrans-71.7-36.5175.566.20000112.3A122 K123A122-S126 PolarHBondContact O-N 3.37Å; A122-S126 PolarHBondContact O-OG 3.37Å; K123-S126 PolarHBondContact O-N 3.11Å; K123-S126 PolarHBondContact O-OG 3.45Å
127L94.1Very high94.5Very high125 Ų12575.2 Ų75.265%0.65441%0.41SS*.Hα-helixtrans-68.2-50177.2-72168.9000112.4K123K123-L127 WeakPolarHBondContact O-CB 3.33Å; K123-L127 WeakPolarHBondContact O-CD1 3.36Å; K123-L127 WeakPolarHBondContact O-CG 3.41Å; K123-L127 PolarHBondContact O-N 2.87Å
128N93.3Very high94.4Very high95 Ų9579.1 Ų79.151%0.50843%0.427SS..  trans-151.580.8-173.3-78.2-61.6000113.5Q124 K130 L131 V132Q124-N128 PolarHBondContact O-N 3.31Å; N128-K130 VanDerWaalsContact C-N 3.27Å; N128-K130 PolarHBondContact O-N 3.12Å; N128-L131 HydrophobicContact CB-CB 3.84Å; N128-L131 PolarHBondContact O-N 3.5Å; N128-V132 WeakPolarHBondContact O-CG2 3.45Å; N128-V132 PolarHBondContact O-N 3.01Å; N128-V132 VanDerWaalsContact O-N 3.11Å
129P94Very high94.3Very high90 Ų9074.8 Ų74.858%0.58440%0.404SS*.Hα-helixtrans-63.2-31.1-176.424.2-33.6000113.3S125 V132 G133S125-P129 WeakPolarHBondContact O-CD 3.47Å; P129-V132 PolarHBondContact O-N 3.1Å; P129-G133 PolarHBondContact O-N 3.1Å
130K94Very high94.2Very high181 Ų18177.5 Ų77.579%0.78741%0.41SS*.Hα-helixtrans-67.5-37.1175.8-67.1-178.6-178.8174.90112.6N128 K134N128-K130 VanDerWaalsContact C-N 3.27Å; N128-K130 PolarHBondContact O-N 3.12Å; K130-K134 WeakPolarHBondContact O-CG 3.37Å; K130-K134 PolarHBondContact O-N 3.38Å
131L93.2Very high94.1Very high92 Ų9283 Ų8348%0.48243%0.429SS..Hα-helixtrans-69.7-42.5176.9179.860.5000109.9N128 G133 K134 L135N128-L131 HydrophobicContact CB-CB 3.84Å; N128-L131 PolarHBondContact O-N 3.5Å; L131-G133 VanDerWaalsContact C-N 3.33Å; L131-G133 PolarHBondContact O-N 3.29Å; L131-K134 WeakPolarHBondContact O-CB 3.49Å; L131-K134 PolarHBondContact O-N 3.34Å; L131-K134 VanDerWaalsContact O-N 3.13Å; L131-L135 HydrophobicContact CD1-CD1 4.38Å; L131-L135 HydrophobicContact CD1-CG 4.39Å; L131-L135 HydrophobicContact CG-CD1 4.01Å; L131-L135 HydrophobicContact CG-CG 4.46Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.05Å
132V94Very high94Very high9 Ų984 Ų846%0.05543%0.431CS..Hα-helixtrans-55.2-47.9173174.90000111.3W92 Q124 N128 P129 K134 L135 K136W92-V132 HydrophobicContact CD2-CG1 4.18Å; W92-V132 HydrophobicContact CH2-CB 3.91Å; W92-V132 HydrophobicContact CH2-CG1 3.79Å; W92-V132 HydrophobicContact CH2-CG2 3.31Å; W92-V132 HydrophobicContact CZ2-CB 3.94Å; W92-V132 HydrophobicContact CZ2-CG1 3.32Å; W92-V132 HydrophobicContact CZ2-CG2 3.54Å; W92-V132 HydrophobicContact CZ3-CG1 4.41Å; W92-V132 HydrophobicContact CZ3-CG2 4.21Å; Q124-V132 HydrophobicContact CB-CG2 4.36Å; Q124-V132 WeakPolarHBondContact O-CG2 3.33Å; N128-V132 WeakPolarHBondContact O-CG2 3.45Å; N128-V132 PolarHBondContact O-N 3.01Å; N128-V132 VanDerWaalsContact O-N 3.11Å; P129-V132 PolarHBondContact O-N 3.1Å; V132-K134 VanDerWaalsContact C-N 3.33Å; V132-K134 PolarHBondContact O-N 3.46Å; V132-L135 PolarHBondContact O-N 2.73Å; V132-L135 VanDerWaalsContact O-N 3.13Å; V132-K136 HydrophobicContact CG1-CD 4.14Å; V132-K136 HydrophobicContact CG1-CG 4.39Å; V132-K136 WeakPolarHBondContact O-CG 3.47Å; V132-K136 PolarHBondContact O-N 3.43Å
133G94.4Very high93.9Very high29 Ų2981.3 Ų81.330%0.29941%0.409SS..Hα-helixtrans-55.1-46.417500000112.7P129 L131 L135 K136 D137P129-G133 PolarHBondContact O-N 3.1Å; L131-G133 VanDerWaalsContact C-N 3.33Å; L131-G133 PolarHBondContact O-N 3.29Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 2.85Å; G133-K136 PolarHBondContact O-N 3.2Å; G133-D137 WeakPolarHBondContact O-CB 3.43Å; G133-D137 VanDerWaalsContact O-CG 3.23Å; G133-D137 PolarHBondContact O-N 3.27Å
134K95.1Very high93.8Very high143 Ų14378.9 Ų78.962%0.62240%0.399SS*.Hα-helixtrans-63.2-37.4176.4-70.7178.1-179.1-179.20113.2K130 L131 V132 K138K130-K134 WeakPolarHBondContact O-CG 3.37Å; K130-K134 PolarHBondContact O-N 3.38Å; L131-K134 WeakPolarHBondContact O-CB 3.49Å; L131-K134 PolarHBondContact O-N 3.34Å; L131-K134 VanDerWaalsContact O-N 3.13Å; V132-K134 VanDerWaalsContact C-N 3.33Å; V132-K134 PolarHBondContact O-N 3.46Å; K134-K138 VanDerWaalsContact O-CB 3.32Å; K134-K138 WeakPolarHBondContact O-CB 3.2Å; K134-K138 PolarHBondContact O-N 3.44Å
135L93.9Very high93.8Very high46 Ų4681.9 Ų81.924%0.24141%0.408CS..Hα-helixtrans-71-39.5179.2-71.5171000111.6N90 W92 L131 V132 G133 K138 A139N90-L135 PolarHBondContact ND2-O 3.47Å; W92-L135 HydrophobicContact CE3-CB 3.62Å; W92-L135 HydrophobicContact CE3-CD1 3.95Å; W92-L135 HydrophobicContact CE3-CG 4.42Å; W92-L135 HydrophobicContact CH2-CD1 4.46Å; W92-L135 HydrophobicContact CZ3-CB 3.95Å; W92-L135 HydrophobicContact CZ3-CD1 3.42Å; W92-L135 VanDerWaalsContact CZ3-CD1 3.42Å; W92-L135 HydrophobicContact CZ3-CG 4.32Å; L131-L135 HydrophobicContact CD1-CD1 4.38Å; L131-L135 HydrophobicContact CD1-CG 4.39Å; L131-L135 HydrophobicContact CG-CD1 4.01Å; L131-L135 HydrophobicContact CG-CG 4.46Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.05Å; V132-L135 PolarHBondContact O-N 2.73Å; V132-L135 VanDerWaalsContact O-N 3.13Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 2.85Å; L135-K138 PolarHBondContact O-N 2.74Å; L135-A139 WeakPolarHBondContact O-CB 3.41Å; L135-A139 PolarHBondContact O-N 3Å
136K94.6Very high93.6Very high108 Ų10882.1 Ų82.147%0.4740%0.401SS..Hα-helixtrans-61.3-47.8169.9-71-178.6176-172.20111.4W92 V132 G133 K138 A139 F140W92-K136 HydrophobicContact CB-CG 3.86Å; W92-K136 HydrophobicContact CD2-CG 4.25Å; W92-K136 HydrophobicContact CG-CG 3.71Å; V132-K136 HydrophobicContact CG1-CD 4.14Å; V132-K136 HydrophobicContact CG1-CG 4.39Å; V132-K136 WeakPolarHBondContact O-CG 3.47Å; V132-K136 PolarHBondContact O-N 3.43Å; G133-K136 PolarHBondContact O-N 3.2Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.28Å; K136-A139 PolarHBondContact O-N 3.47Å; K136-F140 WeakPolarHBondContact O-CB 3.36Å; K136-F140 PolarHBondContact O-N 2.93Å
137D95Very high93.4Very high92 Ų9279.8 Ų79.849%0.49238%0.381SS..Hα-helixtrans-63.4-36177.1-69.7-22.4000112.5G133 R141G133-D137 WeakPolarHBondContact O-CB 3.43Å; G133-D137 VanDerWaalsContact O-CG 3.23Å; G133-D137 PolarHBondContact O-N 3.27Å; D137-R141 WeakPolarHBondContact O-CB 3.39Å; D137-R141 WeakPolarHBondContact O-CG 3.18Å; D137-R141 PolarHBondContact O-N 3.08Å; D137-R141 VanDerWaalsContact O-N 3.09Å; D137-R141 PolarHBondContact O-NE 3.4Å
138K93.9Very high93.3Very high89 Ų8979.3 Ų79.339%0.38737%0.37SS..Hα-helixtrans-64.7-51.5175.3-176.6-170.9172.7-162.80109.3K134 L135 K136 F140 R141 E142K134-K138 VanDerWaalsContact O-CB 3.32Å; K134-K138 WeakPolarHBondContact O-CB 3.2Å; K134-K138 PolarHBondContact O-N 3.44Å; L135-K138 PolarHBondContact O-N 2.74Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.28Å; K138-F140 VanDerWaalsContact C-N 3.34Å; K138-F140 PolarHBondContact O-N 3.49Å; K138-R141 PolarHBondContact O-N 3.34Å; K138-E142 WeakPolarHBondContact O-CB 3.4Å; K138-E142 PolarHBondContact O-N 3.07Å
139A93.4Very high93.1Very high4 Ų480.3 Ų80.33%0.03337%0.372CS..Hα-helixtrans-56.5-46.8178.700000112W92 L94 L135 K136 R141 E142 A143W92-A139 WeakPolarHBondContact O-CB 3.25Å; L94-A139 HydrophobicContact CD1-CB 4.45Å; L94-A139 HydrophobicContact CG-CB 4.29Å; L135-A139 WeakPolarHBondContact O-CB 3.41Å; L135-A139 PolarHBondContact O-N 3Å; K136-A139 PolarHBondContact O-N 3.47Å; A139-R141 PolarHBondContact O-N 3.26Å; A139-E142 PolarHBondContact O-N 3.22Å; A139-E142 VanDerWaalsContact O-N 3.17Å; A139-A143 PolarHBondContact O-N 2.86Å
140F94.9Very high92.6Very high101 Ų10178.7 Ų78.744%0.44336%0.362SS..Hα-helixtrans-60.5-48.1177.9-171.1-91.8000112.4L94 Y98 K136 K138 E142 A143 E144L94-F140 HydrophobicContact CD1-CB 4.39Å; L94-F140 HydrophobicContact CD1-CD2 4.3Å; Y98-F140 HydrophobicContact CD1-CD2 4.15Å; Y98-F140 HydrophobicContact CD1-CE2 4.01Å; Y98-F140 AromaticContact CE1-CD2 3.93Å; Y98-F140 HydrophobicContact CE1-CD2 3.93Å; Y98-F140 AromaticContact CE1-CE2 3.57Å; Y98-F140 HydrophobicContact CE1-CE2 3.57Å; Y98-F140 HydrophobicContact CE1-CZ 4.22Å; K136-F140 WeakPolarHBondContact O-CB 3.36Å; K136-F140 PolarHBondContact O-N 2.93Å; K138-F140 VanDerWaalsContact C-N 3.34Å; K138-F140 PolarHBondContact O-N 3.49Å; F140-E142 PolarHBondContact O-N 3.02Å; F140-A143 PolarHBondContact O-N 3.17Å; F140-E144 WeakPolarHBondContact O-CB 3.36Å; F140-E144 PolarHBondContact O-N 3.02Å
141R94.2Very high92.4Very high141 Ų14172.1 Ų72.153%0.53234%0.341SS..Hα-helixtrans-62.6-32.5176.5-78.4177.5-80.2156.1-10.4112.5D137 K138 A139 R145D137-R141 WeakPolarHBondContact O-CB 3.39Å; D137-R141 WeakPolarHBondContact O-CG 3.18Å; D137-R141 PolarHBondContact O-N 3.08Å; D137-R141 VanDerWaalsContact O-N 3.09Å; D137-R141 PolarHBondContact O-NE 3.4Å; K138-R141 PolarHBondContact O-N 3.34Å; A139-R141 PolarHBondContact O-N 3.26Å; R141-R145 WeakPolarHBondContact O-CB 3.39Å; R141-R145 PolarHBondContact O-N 3.23Å; R141-R145 VanDerWaalsContact O-N 3.11Å
142E91.8Very high92.3Very high40 Ų4073.4 Ų73.419%0.18734%0.343CS..Hα-helixtrans-73.3-47.4179.1-139.4178.9131.700111.8K138 A139 F140 R145 R146K138-E142 WeakPolarHBondContact O-CB 3.4Å; K138-E142 PolarHBondContact O-N 3.07Å; A139-E142 PolarHBondContact O-N 3.22Å; A139-E142 VanDerWaalsContact O-N 3.17Å; F140-E142 PolarHBondContact O-N 3.02Å; E142-R145 PolarHBondContact O-N 3.37Å; E142-R146 VanDerWaalsContact CB-NH1 3.28Å; E142-R146 WeakPolarHBondContact O-CG 3.3Å; E142-R146 PolarHBondContact O-N 3.29Å; E142-R146 VanDerWaalsContact O-N 3.08Å; E142-R146 IonicContact OE1-CZ 4Å; E142-R146 IonicContact OE1-NH1 3.39Å; E142-R146 PolarHBondContact OE1-NH1 3.24Å; E142-R146 IonicContact OE1-NH2 2.95Å; E142-R146 PolarHBondContact OE1-NH2 3.11Å
143A91.8Very high91.8Very high0 Ų079 Ų790%037%0.372CS..Hα-helixtrans-59.6-47.1173.100000111.4L94 Y98 A139 F140 R145 R146 I147L94-A143 HydrophobicContact CB-CB 4.01Å; Y98-A143 HydrophobicContact CE1-CB 4.37Å; A139-A143 PolarHBondContact O-N 2.86Å; F140-A143 PolarHBondContact O-N 3.17Å; A143-R145 VanDerWaalsContact C-N 3.28Å; A143-R145 PolarHBondContact O-N 3.08Å; A143-R146 WeakPolarHBondContact O-CB 3.36Å; A143-R146 PolarHBondContact O-N 2.84Å; A143-R146 VanDerWaalsContact O-N 3.11Å; A143-I147 WeakPolarHBondContact O-CG1 3.48Å; A143-I147 PolarHBondContact O-N 3.13Å
144E93.5Very high91.2Very high67 Ų6783.6 Ų83.631%0.31339%0.386SS..Hα-helixtrans-61.9-37178.6-162-154.5-159.400111.9F140 R148F140-E144 WeakPolarHBondContact O-CB 3.36Å; F140-E144 PolarHBondContact O-N 3.02Å; E144-R148 WeakPolarHBondContact O-CB 3.27Å; E144-R148 PolarHBondContact O-N 3.46Å; E144-R148 IonicContact OE1-CZ 3.82Å; E144-R148 IonicContact OE1-NH2 2.76Å; E144-R148 PolarHBondContact OE1-NH2 3.46Å; E144-R148 IonicContact OE2-CZ 3.1Å; E144-R148 IonicContact OE2-NH1 3.7Å; E144-R148 PolarHBondContact OE2-NH1 2.87Å; E144-R148 IonicContact OE2-NH2 3.64Å; E144-R148 PolarHBondContact OE2-NH2 3.09Å
145R92.6Very high90.9Very high122 Ų12285.7 Ų85.746%0.4639%0.39SS..Hα-helixtrans-62.7-46.7174.7-167.9-171.5-50.41076.1111R141 E142 A143 R148 E149R141-R145 WeakPolarHBondContact O-CB 3.39Å; R141-R145 PolarHBondContact O-N 3.23Å; R141-R145 VanDerWaalsContact O-N 3.11Å; E142-R145 PolarHBondContact O-N 3.37Å; A143-R145 VanDerWaalsContact C-N 3.28Å; A143-R145 PolarHBondContact O-N 3.08Å; R145-R148 PolarHBondContact O-N 3.23Å; R145-E149 WeakPolarHBondContact O-CB 3.25Å; R145-E149 WeakPolarHBondContact O-CG 3.42Å; R145-E149 PolarHBondContact O-N 3.02Å
146R89.6Confident90.7Very high52 Ų5289.3 Ų89.320%0.19640%0.404CS..Hα-helixtrans-60.3-51178.3-70.1171.7177.9107.20.8111.7C61 E142 A143 R148 E149 C150C61-R146 PolarHBondContact SG-NE 2.98Å; E142-R146 VanDerWaalsContact CB-NH1 3.28Å; E142-R146 WeakPolarHBondContact O-CG 3.3Å; E142-R146 PolarHBondContact O-N 3.29Å; E142-R146 VanDerWaalsContact O-N 3.08Å; E142-R146 IonicContact OE1-CZ 4Å; E142-R146 IonicContact OE1-NH1 3.39Å; E142-R146 PolarHBondContact OE1-NH1 3.24Å; E142-R146 IonicContact OE1-NH2 2.95Å; E142-R146 PolarHBondContact OE1-NH2 3.11Å; A143-R146 WeakPolarHBondContact O-CB 3.36Å; A143-R146 PolarHBondContact O-N 2.84Å; A143-R146 VanDerWaalsContact O-N 3.11Å; R146-R148 VanDerWaalsContact C-N 3.31Å; R146-R148 PolarHBondContact O-N 2.95Å; R146-E149 PolarHBondContact O-N 3.43Å; R146-E149 VanDerWaalsContact O-N 3.14Å; R146-C150 PolarHBondContact O-N 3.4Å
147I90.7Very high90Very high49 Ų4989.9 Ų89.925%0.25141%0.408SS..Hα-helixtrans-60-43.6178.7-64.2163000110.3N96 Y98 A143 E149 C150 A151N96-I147 HydrophobicContact CB-CG1 4.28Å; N96-I147 VanDerWaalsContact O-CD1 3.24Å; N96-I147 WeakPolarHBondContact O-CD1 3.23Å; Y98-I147 HydrophobicContact CD2-CD1 4.49Å; Y98-I147 HydrophobicContact CE1-CD1 4.34Å; Y98-I147 HydrophobicContact CE2-CD1 3.66Å; Y98-I147 WeakPolarHBondContact OH-CD1 3.42Å; A143-I147 WeakPolarHBondContact O-CG1 3.48Å; A143-I147 PolarHBondContact O-N 3.13Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3.04Å; I147-C150 PolarHBondContact O-N 3.16Å; I147-A151 WeakPolarHBondContact O-CB 3.33Å; I147-A151 PolarHBondContact O-N 3.36Å
148R91.8Very high89.5Confident116 Ų11691.5 Ų91.544%0.43841%0.412SS..Hα-helixtrans-64.1-37.8177.6-174.2-177.9-73.8127.5-6.1112.1E144 R145 R146 K152E144-R148 WeakPolarHBondContact O-CB 3.27Å; E144-R148 PolarHBondContact O-N 3.46Å; E144-R148 IonicContact OE1-CZ 3.82Å; E144-R148 IonicContact OE1-NH2 2.76Å; E144-R148 PolarHBondContact OE1-NH2 3.46Å; E144-R148 IonicContact OE2-CZ 3.1Å; E144-R148 IonicContact OE2-NH1 3.7Å; E144-R148 PolarHBondContact OE2-NH1 2.87Å; E144-R148 IonicContact OE2-NH2 3.64Å; E144-R148 PolarHBondContact OE2-NH2 3.09Å; R145-R148 PolarHBondContact O-N 3.23Å; R146-R148 VanDerWaalsContact C-N 3.31Å; R146-R148 PolarHBondContact O-N 2.95Å; R148-K152 WeakPolarHBondContact O-CB 3.29Å; R148-K152 WeakPolarHBondContact O-CG 3.18Å; R148-K152 PolarHBondContact O-N 3.21Å
149E88.8Confident89.4Confident115 Ų11591 Ų9154%0.53741%0.411SS..Hα-helixtrans-66.9-44.1174.7-76.4174.4-171.400111.8R145 R146 I147 K152 L153R145-E149 WeakPolarHBondContact O-CB 3.25Å; R145-E149 WeakPolarHBondContact O-CG 3.42Å; R145-E149 PolarHBondContact O-N 3.02Å; R146-E149 PolarHBondContact O-N 3.43Å; R146-E149 VanDerWaalsContact O-N 3.14Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3.04Å; E149-K152 WeakPolarHBondContact O-CB 3.33Å; E149-K152 PolarHBondContact O-N 3.12Å; E149-L153 PolarHBondContact O-N 2.96Å
150C84.1Confident89.2Confident57 Ų5798.9 Ų98.939%0.38544%0.44SS..Hα-helixtrans-59.7-49.3174.2-171.60000111.5R146 I147 K152 L153 Q154R146-C150 PolarHBondContact O-N 3.4Å; I147-C150 PolarHBondContact O-N 3.16Å; C150-K152 VanDerWaalsContact C-N 3.32Å; C150-K152 PolarHBondContact O-N 2.84Å; C150-L153 WeakPolarHBondContact O-CB 3.46Å; C150-L153 PolarHBondContact O-N 3.05Å; C150-L153 VanDerWaalsContact O-N 3.08Å; C150-Q154 WeakPolarHBondContact O-CG 3.39Å; C150-Q154 PolarHBondContact O-N 3.48Å
151A89.2Confident88.8Confident42 Ų4298.6 Ų98.635%0.34744%0.441SS..Hα-helixtrans-61.5-36.917700000112.8I147 R155I147-A151 WeakPolarHBondContact O-CB 3.33Å; I147-A151 PolarHBondContact O-N 3.36Å; A151-R155 WeakPolarHBondContact O-CB 3.37Å; A151-R155 PolarHBondContact O-N 2.83Å
152K90.8Very high88.6Confident120 Ų12096 Ų9652%0.52244%0.435SS..Hα-helixtrans-64.1-42.1173.3-80.4170.9-178.6175.60111.5R148 E149 C150 R155 K156R148-K152 WeakPolarHBondContact O-CB 3.29Å; R148-K152 WeakPolarHBondContact O-CG 3.18Å; R148-K152 PolarHBondContact O-N 3.21Å; E149-K152 WeakPolarHBondContact O-CB 3.33Å; E149-K152 PolarHBondContact O-N 3.12Å; C150-K152 VanDerWaalsContact C-N 3.32Å; C150-K152 PolarHBondContact O-N 2.84Å; K152-R155 PolarHBondContact O-N 3.39Å; K152-K156 WeakPolarHBondContact O-CG 3.4Å; K152-K156 PolarHBondContact O-N 3.48Å
153L83.1Confident88.5Confident125 Ų12599.9 Ų99.965%0.65445%0.448SS*.Hα-helixtrans-65-44.9178.4-168.866.9000110.8E149 C150 K156 H157E149-L153 PolarHBondContact O-N 2.96Å; C150-L153 WeakPolarHBondContact O-CB 3.46Å; C150-L153 PolarHBondContact O-N 3.05Å; C150-L153 VanDerWaalsContact O-N 3.08Å; L153-K156 PolarHBondContact O-N 3Å; L153-H157 PolarHBondContact O-N 3.19Å
154Q82.6Confident88.3Confident126 Ų126106.5 Ų106.559%0.58947%0.473SS*.Hα-helixtrans-60.9-44.8175.4-70.1176.6-2.700112.3C150 H157 H158C150-Q154 WeakPolarHBondContact O-CG 3.39Å; C150-Q154 PolarHBondContact O-N 3.48Å; Q154-H157 PolarHBondContact O-N 2.96Å; Q154-H158 WeakPolarHBondContact O-CB 3.3Å; Q154-H158 PolarHBondContact O-N 3.29Å
155R89.4Confident88Confident187 Ų187110.6 Ų110.671%0.70649%0.486SS*.Hα-helixtrans-60.1-46.5173.7-85-174.5-178.3165.42.4112.3A151 K152 H157 H158 E159A151-R155 WeakPolarHBondContact O-CB 3.37Å; A151-R155 PolarHBondContact O-N 2.83Å; K152-R155 PolarHBondContact O-N 3.39Å; R155-H157 VanDerWaalsContact C-N 3.28Å; R155-H157 PolarHBondContact O-N 3.33Å; R155-H158 PolarHBondContact O-N 2.96Å; R155-E159 WeakPolarHBondContact O-CB 3.42Å; R155-E159 WeakPolarHBondContact O-CG 3.39Å; R155-E159 PolarHBondContact O-N 2.87Å
156K88.4Confident87.8Confident123 Ų123112.1 Ų112.154%0.53549%0.492SS..Hα-helixtrans-60.5-39.5177.2-76.8178.4179.6-179.90111.9K152 L153 R160K152-K156 WeakPolarHBondContact O-CG 3.4Å; K152-K156 PolarHBondContact O-N 3.48Å; L153-K156 PolarHBondContact O-N 3Å; K156-R160 WeakPolarHBondContact O-CB 3.27Å; K156-R160 VanDerWaalsContact O-CG 3.23Å; K156-R160 WeakPolarHBondContact O-CG 3.37Å; K156-R160 PolarHBondContact O-N 3.02Å
157H81.1Confident87.6Confident120 Ų120116.7 Ų116.756%0.55651%0.51SS*.Hα-helixtrans-63.9-48.8174.6179.1-99.7000111.2L153 Q154 R155 E159 R160 M161L153-H157 PolarHBondContact O-N 3.19Å; Q154-H157 PolarHBondContact O-N 2.96Å; R155-H157 VanDerWaalsContact C-N 3.28Å; R155-H157 PolarHBondContact O-N 3.33Å; H157-E159 PolarHBondContact O-N 3.46Å; H157-R160 WeakPolarHBondContact O-CB 3.11Å; H157-R160 PolarHBondContact O-N 2.93Å; H157-R160 VanDerWaalsContact O-N 3.16Å; H157-M161 WeakPolarHBondContact O-CG 3.39Å; H157-M161 PolarHBondContact O-N 3.48Å
158H84.7Confident87.3Confident126 Ų126118.7 Ų118.758%0.58352%0.518SS*.Hα-helixtrans-59.4-45.7176.9-172.975.7000112.3Q154 R155 R160 M161 E162Q154-H158 WeakPolarHBondContact O-CB 3.3Å; Q154-H158 PolarHBondContact O-N 3.29Å; R155-H158 PolarHBondContact O-N 2.96Å; H158-R160 VanDerWaalsContact C-N 3.33Å; H158-R160 PolarHBondContact O-N 2.96Å; H158-M161 WeakPolarHBondContact O-CB 3.35Å; H158-M161 PolarHBondContact O-N 2.97Å; H158-E162 WeakPolarHBondContact O-CB 3.47Å; H158-E162 PolarHBondContact O-N 3.46Å
159E91.7Very high86.9Confident78 Ų78117.7 Ų117.736%0.36452%0.521SS..Hα-helixtrans-61.7-38174.8-75.1176.8-161.900112.6R155 H157 E162 R163R155-E159 WeakPolarHBondContact O-CB 3.42Å; R155-E159 WeakPolarHBondContact O-CG 3.39Å; R155-E159 PolarHBondContact O-N 2.87Å; H157-E159 PolarHBondContact O-N 3.46Å; E159-E162 PolarHBondContact O-N 2.87Å; E159-R163 VanDerWaalsContact O-CB 3.31Å; E159-R163 WeakPolarHBondContact O-CB 3.36Å; E159-R163 WeakPolarHBondContact O-CG 3.34Å; E159-R163 PolarHBondContact O-N 2.92Å; E159-R163 IonicContact OE2-CZ 3.33Å; E159-R163 IonicContact OE2-NH1 2.97Å; E159-R163 IonicContact OE2-NH2 2.84Å; E159-R163 PolarHBondContact OE2-NH2 3.17Å
160R89.2Confident86.3Confident170 Ų170114.7 Ų114.764%0.64252%0.515SS*.Hα-helixtrans-64.7-43.2175.4-78.3172.9-179.7177.20.2110.9K156 H157 H158 R163 R164K156-R160 WeakPolarHBondContact O-CB 3.27Å; K156-R160 VanDerWaalsContact O-CG 3.23Å; K156-R160 WeakPolarHBondContact O-CG 3.37Å; K156-R160 PolarHBondContact O-N 3.02Å; H157-R160 WeakPolarHBondContact O-CB 3.11Å; H157-R160 PolarHBondContact O-N 2.93Å; H157-R160 VanDerWaalsContact O-N 3.16Å; H158-R160 VanDerWaalsContact C-N 3.33Å; H158-R160 PolarHBondContact O-N 2.96Å; R160-R163 PolarHBondContact O-N 3.1Å; R160-R164 WeakPolarHBondContact O-CB 3.48Å; R160-R164 PolarHBondContact O-N 2.83Å
161M85.2Confident85.4Confident95 Ų95118 Ų11847%0.46853%0.525SS..Hα-helixtrans-62.8-45.4175.1-70.8-57.5-65.300111.4H157 H158 R163 R164 Y165H157-M161 WeakPolarHBondContact O-CG 3.39Å; H157-M161 PolarHBondContact O-N 3.48Å; H158-M161 WeakPolarHBondContact O-CB 3.35Å; H158-M161 PolarHBondContact O-N 2.97Å; M161-R163 PolarHBondContact O-N 3.47Å; M161-R164 WeakPolarHBondContact O-CB 3.33Å; M161-R164 PolarHBondContact O-N 3.26Å; M161-Y165 WeakPolarHBondContact O-CB 3.31Å; M161-Y165 PolarHBondContact O-N 3.13Å
162E89.8Confident83.9Confident85 Ų85117.3 Ų117.340%0.39752%0.522SS..Hα-helixtrans-64.4-41177.5-164.1-164.5162.800111.8H158 E159 R164 Y165 R166H158-E162 WeakPolarHBondContact O-CB 3.47Å; H158-E162 PolarHBondContact O-N 3.46Å; E159-E162 PolarHBondContact O-N 2.87Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.16Å; E162-Y165 PolarHBondContact O-N 3.45Å; E162-R166 VanDerWaalsContact O-CB 3.26Å; E162-R166 WeakPolarHBondContact O-CB 3.34Å; E162-R166 PolarHBondContact O-N 2.82Å; E162-R166 IonicContact OE1-CZ 3.79Å; E162-R166 IonicContact OE1-NH2 2.71Å; E162-R166 PolarHBondContact OE1-NH2 2.73Å
163R91.3Very high82.2Confident122 Ų122114.8 Ų114.846%0.4652%0.52SS..Hα-helixtrans-63.3-39.2173.7-75.9177.2-162.6125.510.3111.9E159 R160 M161 R167E159-R163 VanDerWaalsContact O-CB 3.31Å; E159-R163 WeakPolarHBondContact O-CB 3.36Å; E159-R163 WeakPolarHBondContact O-CG 3.34Å; E159-R163 PolarHBondContact O-N 2.92Å; E159-R163 IonicContact OE2-CZ 3.33Å; E159-R163 IonicContact OE2-NH1 2.97Å; E159-R163 IonicContact OE2-NH2 2.84Å; E159-R163 PolarHBondContact OE2-NH2 3.17Å; R160-R163 PolarHBondContact O-N 3.1Å; M161-R163 PolarHBondContact O-N 3.47Å; R163-R167 WeakPolarHBondContact O-CG 3.43Å; R163-R167 PolarHBondContact O-N 3.46Å
164R87.2Confident80.8Confident140 Ų140114.1 Ų114.153%0.52852%0.517SS..Hα-helixtrans-65.4-50176.2-177.5-177.9172.8-166.9-2.6110.3R160 M161 E162 R166 R167 E168R160-R164 WeakPolarHBondContact O-CB 3.48Å; R160-R164 PolarHBondContact O-N 2.83Å; M161-R164 WeakPolarHBondContact O-CB 3.33Å; M161-R164 PolarHBondContact O-N 3.26Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.16Å; R164-R166 VanDerWaalsContact C-N 3.31Å; R164-R166 PolarHBondContact O-N 3.37Å; R164-R167 WeakPolarHBondContact O-CB 3.39Å; R164-R167 PolarHBondContact O-N 3.01Å; R164-R167 VanDerWaalsContact O-N 3.1Å; R164-E168 IonicContact CZ-OE1 2.88Å; R164-E168 IonicContact NE-OE1 2.78Å; R164-E168 PolarHBondContact NE-OE1 3.34Å; R164-E168 IonicContact NH2-OE1 3.96Å; R164-E168 PolarHBondContact NH2-OE1 3.37Å; R164-E168 VanDerWaalsContact NH2-OE1 3.1Å; R164-E168 WeakPolarHBondContact O-CG 3.32Å; R164-E168 PolarHBondContact O-N 2.99Å
165Y86.7Confident79.4Confident152 Ų152112.7 Ų112.760%0.59652%0.517SS*.Hα-helixtrans-58-43176.5-178.7-110.1000112.1M161 E162 R167 E168 L169M161-Y165 WeakPolarHBondContact O-CB 3.31Å; M161-Y165 PolarHBondContact O-N 3.13Å; E162-Y165 PolarHBondContact O-N 3.45Å; Y165-R167 PolarHBondContact O-N 2.87Å; Y165-E168 PolarHBondContact O-N 2.94Å; Y165-L169 HydrophobicContact CD1-CD1 3.64Å; Y165-L169 HydrophobicContact CD2-CD1 4.5Å; Y165-L169 HydrophobicContact CE1-CD1 3.19Å; Y165-L169 HydrophobicContact CE1-CG 4.42Å; Y165-L169 HydrophobicContact CE2-CD1 4.13Å; Y165-L169 HydrophobicContact CG-CD1 4.28Å; Y165-L169 VanDerWaalsContact CZ-CD1 3.46Å; Y165-L169 WeakPolarHBondContact O-CB 3.48Å; Y165-L169 PolarHBondContact O-N 3.46Å
166R88.6Confident77.5Confident155 Ų155110.1 Ų110.159%0.58552%0.516SS*.Hα-helixtrans-64.7-36.4175.7-171.4175.3-65.8156.96.8112.8E162 R164 A170E162-R166 VanDerWaalsContact O-CB 3.26Å; E162-R166 WeakPolarHBondContact O-CB 3.34Å; E162-R166 PolarHBondContact O-N 2.82Å; E162-R166 IonicContact OE1-CZ 3.79Å; E162-R166 IonicContact OE1-NH2 2.71Å; E162-R166 PolarHBondContact OE1-NH2 2.73Å; R164-R166 VanDerWaalsContact C-N 3.31Å; R164-R166 PolarHBondContact O-N 3.37Å; R166-A170 WeakPolarHBondContact O-CB 3.38Å; R166-A170 PolarHBondContact O-N 3.27Å; R166-A170 VanDerWaalsContact O-N 3.08Å
167R86.4Confident75.3Confident148 Ų148108.4 Ų108.456%0.55852%0.52SS*.Hα-helixtrans-67-45.6173-79.9-175.9-117.7133.3-4.6111.6R163 R164 Y165 L169 A170 E171R163-R167 WeakPolarHBondContact O-CG 3.43Å; R163-R167 PolarHBondContact O-N 3.46Å; R164-R167 WeakPolarHBondContact O-CB 3.39Å; R164-R167 PolarHBondContact O-N 3.01Å; R164-R167 VanDerWaalsContact O-N 3.1Å; Y165-R167 PolarHBondContact O-N 2.87Å; R167-L169 VanDerWaalsContact C-N 3.31Å; R167-L169 PolarHBondContact O-N 3.3Å; R167-A170 WeakPolarHBondContact O-CB 3.21Å; R167-A170 PolarHBondContact O-N 3.31Å; R167-A170 VanDerWaalsContact O-N 3.1Å; R167-E171 WeakPolarHBondContact O-CG 3.43Å; R167-E171 PolarHBondContact O-N 3.2Å
168E83.4Confident73.5Confident90 Ų90110.9 Ų110.942%0.42153%0.529SS..Hα-helixtrans-62.9-36.8177.7-71.5172179.600111.8R164 Y165 G172R164-E168 IonicContact CZ-OE1 2.88Å; R164-E168 IonicContact NE-OE1 2.78Å; R164-E168 PolarHBondContact NE-OE1 3.34Å; R164-E168 IonicContact NH2-OE1 3.96Å; R164-E168 PolarHBondContact NH2-OE1 3.37Å; R164-E168 VanDerWaalsContact NH2-OE1 3.1Å; R164-E168 WeakPolarHBondContact O-CG 3.32Å; R164-E168 PolarHBondContact O-N 2.99Å; Y165-E168 PolarHBondContact O-N 2.94Å; E168-G172 PolarHBondContact O-N 3.13Å
169L82.4Confident71.5Confident95 Ų95109 Ų10950%0.49753%0.53SS..Hα-helixtrans-65-39.6170.6-92.7154.2000113.2Y165 R167 S173Y165-L169 HydrophobicContact CD1-CD1 3.64Å; Y165-L169 HydrophobicContact CD2-CD1 4.5Å; Y165-L169 HydrophobicContact CE1-CD1 3.19Å; Y165-L169 HydrophobicContact CE1-CG 4.42Å; Y165-L169 HydrophobicContact CE2-CD1 4.13Å; Y165-L169 HydrophobicContact CG-CD1 4.28Å; Y165-L169 VanDerWaalsContact CZ-CD1 3.46Å; Y165-L169 WeakPolarHBondContact O-CB 3.48Å; Y165-L169 PolarHBondContact O-N 3.46Å; R167-L169 VanDerWaalsContact C-N 3.31Å; R167-L169 PolarHBondContact O-N 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 3.05Å
170A78Confident69.3Low52 Ų52109.9 Ų109.943%0.4355%0.545SS..Hα-helixtrans-68.2-4517700000111.3R166 R167 S173 D174R166-A170 WeakPolarHBondContact O-CB 3.38Å; R166-A170 PolarHBondContact O-N 3.27Å; R166-A170 VanDerWaalsContact O-N 3.08Å; R167-A170 WeakPolarHBondContact O-CB 3.21Å; R167-A170 PolarHBondContact O-N 3.31Å; R167-A170 VanDerWaalsContact O-N 3.1Å; A170-S173 WeakPolarHBondContact O-CB 2.96Å; A170-S173 PolarHBondContact O-N 3.19Å; A170-D174 PolarHBondContact O-N 3.07Å
171E63.9Low67.4Low127 Ų127108.4 Ų108.459%0.59355%0.549SS*.Hα-helixtrans-68.1-34.4175.7-70-179.9-179.200112.2R167 D174 T175R167-E171 WeakPolarHBondContact O-CG 3.43Å; R167-E171 PolarHBondContact O-N 3.2Å; E171-D174 PolarHBondContact O-N 3.13Å; E171-T175 WeakPolarHBondContact O-CG2 3.23Å; E171-T175 PolarHBondContact O-N 3.01Å; E171-T175 PolarHBondContact O-OG1 3.42Å
172G58.2Low65.4Low27 Ų27110.1 Ų110.128%0.27857%0.565SS.*Hα-helixtrans-64.7-35.817100000113.1E168 T175 L176E168-G172 PolarHBondContact O-N 3.13Å; G172-T175 WeakPolarHBondContact CA-OG1 3.41Å; G172-T175 PolarHBondContact O-OG1 3.32Å; G172-T175 VanDerWaalsContact O-OG1 3.05Å; G172-L176 WeakPolarHBondContact O-CB 3.43Å; G172-L176 WeakPolarHBondContact O-CG 3.46Å; G172-L176 PolarHBondContact O-N 2.92Å; G172-L176 VanDerWaalsContact O-N 3.1Å
173S55.9Low62.8Low67 Ų67111.5 Ų111.547%0.46958%0.584SS.*Hα-helixtrans-71.1-34.4173.7-176.50000112.4L169 A170 S177L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 3.05Å; A170-S173 WeakPolarHBondContact O-CB 2.96Å; A170-S173 PolarHBondContact O-N 3.19Å; S173-S177 WeakPolarHBondContact O-CB 3.36Å; S173-S177 PolarHBondContact O-N 2.76Å; S173-S177 PolarHBondContact O-OG 3.19Å
174D51.9Low60.6Low112 Ų112110.6 Ų110.660%0.59960%0.596SS**Hα-helixtrans-75.7-30.6178.4-69.6-18000112.1A170 E171 F178A170-D174 PolarHBondContact O-N 3.07Å; E171-D174 PolarHBondContact O-N 3.13Å; D174-F178 PolarHBondContact O-N 3.11Å
175T53.8Low58.4Low96 Ų96109.7 Ų109.759%0.58961%0.607SS**Hα-helixtrans-77-34.2173.250.70000113.1E171 G172 S177 F178E171-T175 WeakPolarHBondContact O-CG2 3.23Å; E171-T175 PolarHBondContact O-N 3.01Å; E171-T175 PolarHBondContact O-OG1 3.42Å; G172-T175 WeakPolarHBondContact CA-OG1 3.41Å; G172-T175 PolarHBondContact O-OG1 3.32Å; G172-T175 VanDerWaalsContact O-OG1 3.05Å; T175-S177 PolarHBondContact O-N 3.29Å; T175-F178 PolarHBondContact O-N 3.31Å
176L48.7Very low56Low133 Ų133110.3 Ų110.370%0.69662%0.62SS**THydrogen-bonded Turntrans-75.3-11.1172.1-67.1172.6000113.4G172G172-L176 WeakPolarHBondContact O-CB 3.43Å; G172-L176 WeakPolarHBondContact O-CG 3.46Å; G172-L176 PolarHBondContact O-N 2.92Å; G172-L176 VanDerWaalsContact O-N 3.1Å
177S43.8Very low53.7Low87 Ų87108.7 Ų108.761%0.60863%0.632SS**THydrogen-bonded Turntrans-93.2-9.3172.6-64.50000113.8S173 T175S173-S177 WeakPolarHBondContact O-CB 3.36Å; S173-S177 PolarHBondContact O-N 2.76Å; S173-S177 PolarHBondContact O-OG 3.19Å; T175-S177 PolarHBondContact O-N 3.29Å
178F42.3Very low51.6Low171 Ų171112.3 Ų112.375%0.7565%0.646SS**THydrogen-bonded Turntrans-106.6-14.9178.9-164.4-104000114.2D174 T175 S180D174-F178 PolarHBondContact O-N 3.11Å; T175-F178 PolarHBondContact O-N 3.31Å; F178-S180 PolarHBondContact O-N 3.18Å; F178-S180 VanDerWaalsContact O-N 3.09Å
179S43.5Very low49.3Very low87 Ų87119 Ų11961%0.60867%0.667SS**THydrogen-bonded Turntrans-79.919.8-179.354.90000115.5
180S45.8Very low47Very low96 Ų96121.6 Ų121.667%0.67168%0.681SS**THydrogen-bonded Turntrans-96.1-4.1179.8-55.40000114.8F178F178-S180 PolarHBondContact O-N 3.18Å; F178-S180 VanDerWaalsContact O-N 3.09Å
181L49.4Very low45.4Very low140 Ų140127.5 Ų127.573%0.73370%0.699SS**SBendtrans-144131179.4-62.9169.9000109.2
182T42.5Very low44Very low130 Ų130129.9 Ų129.980%0.79871%0.71SS**  trans80.9120.8-174.882.50000113
183S36.2Very low42.8Very low115 Ų115135.5 Ų135.580%0.80473%0.733SS**  cis-158.8144.211.4-91.90000110.5
184S44.5Very low41.8Very low102 Ų102136.8 Ų136.871%0.71375%0.748SS**  trans-65.5156.5158.350.60000112.6
185T40.7Very low41Very low121 Ų121140.1 Ų140.174%0.74276%0.764SS**  trans86.5111.2156.562.20000121.2
186L36.6Very low40Very low166 Ų166139.3 Ų139.387%0.86978%0.775SS**  trans64.7115.4134.7-55.2174.9000120.5
187S38.8Very low39.4Very low120 Ų120138.2 Ų138.284%0.83978%0.778SS**  163.8165.399.8-163.30000112.3
188R42.6Very low39Very low225 Ų225141.8 Ų141.885%0.84979%0.785SS**  trans-85.7168.2-158.1-56.3169.7-148.5-165.12.7115.6
189R35.9Very low39Very low231 Ų231141.3 Ų141.387%0.87279%0.79SS**  trans74.4137.6156.3-86.6178.3171.9-158-1.5115
190L33.8Very low39.4Very low149 Ų149143 Ų14378%0.7880%0.798SS**  cis-157.5165.938.9-148.6100.3000111
191Q45Very low38.7Very low175 Ų175149.1 Ų149.182%0.81881%0.808SS**  trans-75.4149.8-172.3-60.9156.4-33.400114.5
192H33.9Very low38.2Very low178 Ų178146.8 Ų146.882%0.82480%0.804SS**  -165.3150.5123.8-148.4-102.1000113.3
193L33.4Very low37.9Very low145 Ų145149 Ų14976%0.75981%0.805SS**  trans-62.4148.5-175.1-77.757.6000115.2
194A33.9Very low37.8Very low94 Ų94148.7 Ų148.778%0.77781%0.809SS**  173.8134.510900000114.1
195L35.3Very low37.4Very low182 Ų182148.3 Ų148.395%0.95380%0.803SS**  trans15.4127156.5-85.565.9000121.4
196G34.3Very low37.3Very low78 Ų78150.5 Ų150.580%0.80481%0.809SS**  trans-169.3115.6157.100000110.9
197S36.1Very low37.4Very low110 Ų110150.5 Ų150.577%0.76980%0.804SS**  trans-59146.9-172.644.80000115.7
198H35Very low37.2Very low162 Ų162148.2 Ų148.275%0.7580%0.8SS**  trans-50.7141.516551.3-80.9000113.8
199L42.5Very low37.3Very low162 Ų162144.6 Ų144.685%0.84880%0.803SS**  trans-174.5132.7130.9-96.3157.4000108.5
200P51.1Low37.3Very low122 Ų122138.1 Ų138.179%0.79280%0.799SS**  trans-92.8136.5-175.834.8-28.4000110.7
201Y31.2Very low37.9Very low225 Ų225143.3 Ų143.388%0.88281%0.808SS**  trans-120.7126.1161.8-163.5-102.5000109.8
202S39Very low37.4Very low91 Ų91138.8 Ų138.864%0.63681%0.808SS**  trans-69.1137.8-168.239.70000114.1
203Q35.3Very low37.6Very low177 Ų177139.5 Ų139.583%0.82781%0.809SS**  trans-2.2125.5143.4-97.6179.17.500117.1
204A35.1Very low38Very low107 Ų107138 Ų13888%0.88481%0.806SS**  trans-135.495.5141.700000108.6
205T36.6Very low38.1Very low95 Ų95143 Ų14358%0.58381%0.81SS**  trans-75.4121.2167.1-60.90000108.7
206L38.8Very low38.4Very low167 Ų167141.6 Ų141.687%0.87480%0.802SS**  trans-143.896.4148.3-78.2-175.7000110.8
207H38.5Very low38.6Very low165 Ų165146.2 Ų146.276%0.76480%0.803SS**  trans27.4114.3140.8-66.2-82.5000119.6
208G33.8Very low38.7Very low73 Ų73150.6 Ų150.675%0.75381%0.808SS**  trans-76.9151155.300000112.5
209T43.7Very low38.7Very low148 Ų148152.1 Ų152.191%0.90881%0.812SS**  trans-135127.4145.154.10000109.2
210A37.7Very low38.2Very low96 Ų96151.8 Ų151.879%0.79381%0.811SS**  trans-88.6134.6-178.300000111.1
211R44.9Very low37.4Very low258 Ų258153.2 Ų153.297%0.97481%0.807SS**  trans-161.3137.5145.7-64.3-161.9175.6-177.4-1.9105.7
212G36Very low37.4Very low79 Ų79153.9 Ų153.981%0.81481%0.808SS**  cis-179.5153700000106.1
213K36.6Very low37.3Very low193 Ų193160.2 Ų160.284%0.83982%0.818SS**  trans-73.6148.4-164.9-74.1174177.8177.50114.8
214T42Very low37.3Very low115 Ų115160.7 Ų160.771%0.70682%0.817SS**  trans68.3125.9136.765.30000120.4
215K36.6Very low37.2Very low199 Ų199164.3 Ų164.387%0.86582%0.816SS**  161.9117100.2-83-171.5-176.11730110.9
216I41.7Very low36.8Very low151 Ų151163.8 Ų163.877%0.77483%0.829SS**  trans-64.3150.5159.8-72.6162000109.6
217Q38.9Very low36.4Very low175 Ų175159.4 Ų159.482%0.81882%0.824SS**  trans74.5112.3161-82.5164.4-20.300119.7
218K36.9Very low36.5Very low203 Ų203160.1 Ų160.188%0.88383%0.828SS**  178.8150.6104.5-105.6174.9176.4173.30113
219K34.9Very low36.6Very low194 Ų194160.6 Ų160.684%0.84383%0.832SS**  trans79.7103.9167.1-72177.2171.1-178.40114.9
220L33.4Very low36.3Very low155 Ų155158.1 Ų158.181%0.81282%0.817SS**  cis50.211849-166.268.4000113
221E34.7Very low36.1Very low152 Ų152162.6 Ų162.671%0.7182%0.819SS**  trans70.995.5165.6-72.2-73.3160.600117.1
222R31Very low36Very low238 Ų238158.7 Ų158.790%0.89881%0.809SS**  -154.895125.9-113179.8166.3-119.2-6.2111.3
223R36.6Very low36.1Very low225 Ų225160.9 Ų160.985%0.84981%0.806SS**  trans-71.4140.7157.9-170.9179.8163.3-163.8-2.5108.6
224K34.4Very low36.1Very low186 Ų186157.4 Ų157.481%0.80981%0.806SS**  trans88.790.1152-150.1178.6-176.6-174.50119
225Q33.1Very low35.9Very low184 Ų184159.9 Ų159.986%0.8681%0.81SS**  trans-162.998.2130.7-136.1134.725.500105.2
226G28.6Very low36.3Very low83 Ų83157.9 Ų157.986%0.85681%0.809SS**  86.6105.379.800000108.5
227G31.3Very low36.6Very low76 Ų76154.8 Ų154.878%0.78482%0.815SS**  trans138.774.8170.800000115.4G229G227-G229 PolarHBondContact O-N 3.14Å
228E40Very low36.8Very low180 Ų180157.8 Ų157.884%0.84182%0.818SS**  trans38.379.7131.2-152.2173.1-161.300118.4T230E228-T230 HydrophobicContact CG-CG2 4.04Å
229G36.8Very low36.8Very low82 Ų82158.8 Ų158.885%0.84582%0.823SS**  trans-104.475.9163.100000110.7G227 F231G227-G229 PolarHBondContact O-N 3.14Å; G229-F231 PolarHBondContact O-N 3.25Å
230T36.4Very low37.1Very low96 Ų96154.5 Ų154.559%0.58982%0.817SS**  trans-74.9107.8176.554.90000109.8E228 K232E228-T230 HydrophobicContact CG-CG2 4.04Å; T230-K232 PolarHBondContact O-N 3.13Å
231F34.2Very low37.3Very low191 Ų191152 Ų15284%0.83882%0.819SS**  trans-83.1109.7171.5-148-95.6000108.9G229 V233G229-F231 PolarHBondContact O-N 3.25Å; F231-V233 HydrophobicContact CD1-CG2 4.11Å; F231-V233 HydrophobicContact CE1-CG2 4.34Å
232K42.1Very low37.8Very low176 Ų176155.7 Ų155.777%0.76583%0.827SS**  trans-94.4112.1175.4-66.7179.3-178171.10108.4T230T230-K232 PolarHBondContact O-N 3.13Å
233V38.6Very low38.4Very low124 Ų124149.3 Ų149.375%0.75282%0.818SS**  trans-89.6117163.3179.10000106.5F231F231-V233 HydrophobicContact CD1-CG2 4.11Å; F231-V233 HydrophobicContact CE1-CG2 4.34Å
234S37.1Very low39Very low120 Ų120146 Ų14684%0.83982%0.817SS**  trans-93.5116.3174.5-76.40000109.1
235E37.6Very low39.5Very low168 Ų168142.1 Ų142.179%0.78581%0.813SS**  trans-138.9116.4160.6-155.9170.5-162.100106
236D44.3Very low40.3Very low156 Ų156136.9 Ų136.983%0.83481%0.808SS**THydrogen-bonded Turntrans36.787168.8-62-21000118.7R238D236-R238 PolarHBondContact O-N 3.44Å
237G48.7Very low41Very low87 Ų87138.7 Ų138.790%0.89780%0.797SS**THydrogen-bonded Turntrans73.60.3137.400000119.8
238R41.8Very low41.7Very low237 Ų237143.9 Ų143.989%0.89480%0.801SS**  trans-139117.4170.8-64.2-171.8-176.4-155.11.3112.7D236 S240D236-R238 PolarHBondContact O-N 3.44Å; R238-S240 PolarHBondContact O-N 3.23Å
239K37.7Very low42.1Very low224 Ų224144.1 Ų144.197%0.97481%0.807SS**  trans-74.4120.6-179-61.4173.5-177.3173.80110.6
240S41.8Very low42.4Very low105 Ų105143 Ų14373%0.73480%0.796SS**  trans-126.7119.9168.2-176.30000109.9R238R238-S240 PolarHBondContact O-N 3.23Å
241A37Very low42.8Very low103 Ų103146.1 Ų146.185%0.85181%0.809SS**  trans-104.8117.2173.400000108.9
242R45.1Very low43.7Very low229 Ų229145.3 Ų145.386%0.86481%0.813SS**  trans-127.8110.1164.9-75.8-174.2176.5170.2-0.6109.1
243S43.1Very low43.8Very low103 Ų103141 Ų14172%0.7280%0.802SS**  trans-69.9121.2173.448.90000110.4S245S243-S245 PolarHBondContact O-N 3.03Å
244L50.5Low44Very low156 Ų156142.4 Ų142.482%0.81780%0.802SS**  trans-82.352.6172.2-67.6176.6000111.8G246L244-G246 PolarHBondContact O-N 2.93Å
245S44Very low44.3Very low105 Ų105145.2 Ų145.273%0.73480%0.799SS**  trans-90.591.7168.849.80000108.6S243S243-S245 PolarHBondContact O-N 3.03Å
246G49.3Very low44.7Very low73 Ų73143.8 Ų143.875%0.75380%0.801SS**  trans157.49.7169.600000119.9L244L244-G246 PolarHBondContact O-N 2.93Å
247L44.2Very low44.4Very low121 Ų121147.8 Ų147.863%0.63481%0.805SS**  trans-98.3105.4179.2-71.4171.3000111.6M254L247-M254 HydrophobicContact CD1-CE 4.41Å; L247-M254 HydrophobicContact CD2-CE 3.97Å; L247-M254 HydrophobicContact CD2-SD 3.85Å
248Q44.9Very low43.9Very low186 Ų186152.7 Ų152.787%0.86980%0.804SS**  trans-86.1131.4168.9-161162.6-0.300108.4G250Q248-G250 PolarHBondContact O-N 3.28Å; Q248-G250 VanDerWaalsContact O-N 3.17Å
249L48.4Very low43.6Very low185 Ų185144.4 Ų144.497%0.96979%0.793SS**SBendtrans-66.6109.7179.8-121.890.3000109.6
250G43.4Very low43.5Very low58 Ų58140.5 Ų140.560%0.59879%0.788SS**  trans153.1110.9171.900000112.2Q248Q248-G250 PolarHBondContact O-N 3.28Å; Q248-G250 VanDerWaalsContact O-N 3.17Å
251N45.1Very low43.2Very low162 Ų162146.3 Ų146.387%0.86680%0.796SS**  trans103.1108.9174.6-57.2-14.5000115.3V253N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.03Å
252D53Low43.2Very low174 Ų174145.7 Ų145.793%0.9379%0.79SS**SBendtrans-75.466.8177.1-70.9-38000112.4
253V44.9Very low42.5Very low86 Ų86142.7 Ų142.752%0.52179%0.791SS.*  trans-151.4120.7157.2-1710000109.1N251 F255N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.03Å; V253-F255 HydrophobicContact CB-CE2 4.1Å; V253-F255 HydrophobicContact CG1-CD2 3.98Å; V253-F255 HydrophobicContact CG1-CE1 4.27Å; V253-F255 HydrophobicContact CG1-CE2 3.5Å; V253-F255 HydrophobicContact CG1-CZ 3.67Å
254M42.4Very low42.5Very low152 Ų152142.6 Ų142.675%0.74979%0.789SS**  trans-101.6115.5171.3-71.6-75.5-79.800109.5L247L247-M254 HydrophobicContact CD1-CE 4.41Å; L247-M254 HydrophobicContact CD2-CE 3.97Å; L247-M254 HydrophobicContact CD2-SD 3.85Å
255F42.5Very low41.6Very low179 Ų179144.3 Ų144.379%0.78579%0.789SS**  trans-91.4124.2171-67.2-84.6000110.3V253 R257V253-F255 HydrophobicContact CB-CE2 4.1Å; V253-F255 HydrophobicContact CG1-CD2 3.98Å; V253-F255 HydrophobicContact CG1-CE1 4.27Å; V253-F255 HydrophobicContact CG1-CE2 3.5Å; V253-F255 HydrophobicContact CG1-CZ 3.67Å; F255-R257 PolarHBondContact O-N 2.79Å
256V47Very low41.1Very low138 Ų138147.6 Ų147.684%0.83679%0.793SS**  trans-82.6106169.4178.40000108.3Q258V256-Q258 PolarHBondContact O-N 2.85Å
257R37.4Very low40.2Very low240 Ų240154 Ų15491%0.90679%0.794SS**  trans-81.5111.5177-155179-174.9-177.91.8109.3F255 G259F255-R257 PolarHBondContact O-N 2.79Å; R257-G259 PolarHBondContact O-N 2.89Å
258Q37.9Very low39.6Very low190 Ų190151.9 Ų151.989%0.88880%0.803SS**  trans-76.399.5167.7-86.4177-5.800109.8V256V256-Q258 PolarHBondContact O-N 2.85Å
259G36.5Very low39.1Very low64 Ų64152.4 Ų152.466%0.6680%0.797SS**  trans-114139.7143.800000105.6R257R257-G259 PolarHBondContact O-N 2.89Å
260T36Very low38.6Very low141 Ų141147.9 Ų147.987%0.86579%0.785SS**  cis-151.7128.432.3410000108.3
261Y35.2Very low38.8Very low228 Ų228150.3 Ų150.389%0.89479%0.791SS**PPolyproline II helixtrans-64.9142168.6-102.6-96.3000110.6
262A35.6Very low38.2Very low89 Ų89150.6 Ų150.674%0.73679%0.791SS**PPolyproline II helixtrans-51.1150.2152.200000110.7
263N31.4Very low37.3Very low166 Ų166153.2 Ų153.289%0.88879%0.788SS**PPolyproline II helixtrans-55.9162-169.1-14021.8000115.3
264P41.9Very low36.8Very low102 Ų102155.1 Ų155.166%0.66280%0.796SS**PPolyproline II helixtrans-103.8158.5-157.341.1-36.1000114.7
265K32.7Very low36.2Very low191 Ų191154.9 Ų154.983%0.8379%0.794SS**  trans-178.9126.1152.7-101.3178.7-177.4-170.40103.9
266E34.2Very low36Very low174 Ų174156 Ų15681%0.81380%0.799SS**  cis-151.2152.822.9-92.5157.9-178.500109.9
267W30.1Very low35.4Very low207 Ų207157.8 Ų157.878%0.78480%0.803SS**  trans-77.4136.5174.6-115.4-71.2000110.8R269W267-R269 VanDerWaalsContact CD1-CG 3.43Å
268G31.9Very low35.3Very low78 Ų78150.6 Ų150.680%0.80479%0.79SS**  trans-139.291.3152.300000109
269R34.4Very low35.2Very low197 Ų197148 Ų14874%0.74378%0.782SS**  trans-70.5127.4170.2-59.9-158.4-167.4-133.98.9108.2W267W267-R269 VanDerWaalsContact CD1-CG 3.43Å
270A36.7Very low35.1Very low89 Ų89152.5 Ų152.574%0.73679%0.786SS**  70.9167.891.100000113.7
271P47.3Very low35.1Very low110 Ų110152.2 Ų152.271%0.71478%0.779SS**  cis-143.7173.4-1431.3-7.9000116.3
272L32.4Very low35.2Very low167 Ų167146.5 Ų146.587%0.87477%0.772SS**  trans27.7121.8138.3-71.7142.9000122.6
273R35.2Very low35.1Very low230 Ų230149 Ų14987%0.86878%0.778SS**  trans-175.2107.9130.2-128.3174167.3-153.3-5.2107.2
274D34Very low35.3Very low126 Ų126146.1 Ų146.167%0.67477%0.771SS**  57.1138.973.8-152.621.3000115.7
275M30.9Very low34.9Very low146 Ų146153.2 Ų153.272%0.71979%0.785SS**  trans96.193.9164-52.7-162.7176.900118.3
276F37.2Very low34.8Very low203 Ų203147.9 Ų147.989%0.8978%0.776SS**  trans-14133.2149-76.4-96.4000116.3
277L34.8Very low34.5Very low175 Ų175145.6 Ų145.692%0.91677%0.774SS**  trans-145.2139.9142.3-88.4173.3000109.9
278S35.6Very low34.4Very low90 Ų90143.6 Ų143.663%0.62978%0.778SS**  trans-86.5173-178.647.30000112.4
279D35.4Very low34.3Very low135 Ų135144.6 Ų144.672%0.72278%0.779SS**  trans113.2113.4148.5-64.2-10.5000119.2
280E33.9Very low34.1Very low159 Ų159140 Ų14074%0.74378%0.783SS**  trans85112.9131.2-56.3-83.3117.100120.6
281D35.9Very low33.8Very low135 Ų135144.2 Ų144.272%0.72279%0.787SS**  45.9124.7129.7-72.6-4.4000121.2
282S37.7Very low33.5Very low107 Ų107144.3 Ų144.375%0.74879%0.788SS**  165.8121111.7-77.40000114.4
283V32.9Very low33.7Very low141 Ų141140.3 Ų140.386%0.85578%0.779SS**  trans68.1124.9132.2-1680000120.6
284S36.4Very low33.4Very low107 Ų107138.4 Ų138.475%0.74878%0.779SS**  trans-68.4150177.5-39.60000116.2
285R32.9Very low33.6Very low250 Ų250137.4 Ų137.494%0.94378%0.782SS**  trans160.4135.3140.7-92.9175.7123121.51.1106.5
286A31Very low33.6Very low79 Ų79139.7 Ų139.765%0.65379%0.791SS**  cis-167.8132.845.900000107.9
287T27Very low33.5Very low126 Ų126136 Ų13677%0.77379%0.785SS**  39.8135.9109.561.30000115.4
288L28.2Very low33.4Very low166 Ų166133.2 Ų133.287%0.86978%0.78SS**  cis-178.5142.59.9-103.4162.7000103.9
289A29.8Very low33.6Very low99 Ų99135.3 Ų135.382%0.81879%0.789SS**  trans178.1122.1141.400000113.4
290A31Very low33.5Very low99 Ų99136.1 Ų136.182%0.81879%0.794SS**  trans68.2111.9141.800000121.5
291E29.9Very low33.8Very low178 Ų178133.7 Ų133.783%0.83279%0.794SS**  trans-11.9166.5131.4-65-77.2143.300117.6
292P41.5Very low34.2Very low113 Ų113130.1 Ų130.173%0.73479%0.789SS**  cis-136.5-174.52.127.1-1.5000114.5
293A36.5Very low34.5Very low82 Ų82133.7 Ų133.768%0.67879%0.794SS**  trans-54.4143.1173.400000115.7
294H29.6Very low35.1Very low191 Ų191134.2 Ų134.288%0.88479%0.792SS**  trans-165.9145.5132.9-84.8-61.8000110.3
295S36.6Very low36.1Very low104 Ų104133.1 Ų133.173%0.72778%0.784SS**  trans-50.214217350.20000114.3
296E32.5Very low37.2Very low195 Ų195127 Ų12791%0.91177%0.77SS**  trans-161.3150.9135.8-72-149.7150.600111.7
297V34.2Very low38.3Very low124 Ų124131.4 Ų131.475%0.75277%0.774SS**  trans-70.1139.6-18059.80000112.7
298S32.1Very low39.5Very low118 Ų118130.5 Ų130.583%0.82577%0.768SS**  trans-169.3112.9143.9-90.20000111.4D300S298-D300 PolarHBondContact O-N 3.04Å
299T40.8Very low40.8Very low134 Ų134131 Ų13182%0.82276%0.759SS**  trans-74.2102.8163.7490000108.8
300D34Very low41.8Very low152 Ų152132.8 Ų132.881%0.81376%0.762SS**  trans-94.794.5165.4-174.619.3000109.6S298S298-D300 PolarHBondContact O-N 3.04Å
301S39.2Very low43Very low107 Ų107132.1 Ų132.175%0.74877%0.765SS**  trans-94.978.3168.960.80000109.9H303S301-H303 VanDerWaalsContact C-N 3.25Å; S301-H303 PolarHBondContact O-N 3.44Å
302G43.7Very low44.3Very low60 Ų60129.2 Ų129.262%0.61975%0.754SS**  trans-76.163.5174.400000114.1
303H43.9Very low44.8Very low182 Ų182127.1 Ų127.184%0.84375%0.753SS**  trans-121.274.6163.7-72.9-53.3000110.5S301 S305S301-H303 VanDerWaalsContact C-N 3.25Å; S301-H303 PolarHBondContact O-N 3.44Å; H303-S305 PolarHBondContact O-N 3.26Å
304D46.9Very low45.5Very low153 Ų153129.7 Ų129.782%0.81876%0.761SS**  trans-61118.8162.1-81.4-38.1000109.6
305S57.4Low46.2Very low83 Ų83126.6 Ų126.658%0.5875%0.748SS**  trans-58.8135.7175.8-83.30000110.9H303 F307 T308H303-S305 PolarHBondContact O-N 3.26Å; S305-F307 PolarHBondContact O-N 2.82Å; S305-T308 PolarHBondContact O-N 3.48Å; S305-T308 PolarHBondContact O-OG1 3.22Å
306L56.3Low46.7Very low123 Ų123127.3 Ų127.364%0.64475%0.748SS**THydrogen-bonded Turntrans-56.3-3.3-178.2-69.8167000115.8
307F52.3Low47.2Very low171 Ų171126.4 Ų126.475%0.7574%0.742SS**THydrogen-bonded Turntrans-96.2-2-178.5-61.4-71.4000114.7S305S305-F307 PolarHBondContact O-N 2.82Å
308T52.8Low47.7Very low106 Ų106132 Ų13265%0.6575%0.749SS**  trans-110.612178.630.60000114.2S305S305-T308 PolarHBondContact O-N 3.48Å; S305-T308 PolarHBondContact O-OG1 3.22Å
309R55.7Low48.1Very low178 Ų178136 Ų13667%0.67275%0.746SS**SBendtrans-69.2127.1173.4-80.5-173.1157.7168.8-4.1111.3G311 L312R309-G311 PolarHBondContact O-N 3.19Å; R309-L312 PolarHBondContact O-N 3.36Å
310P51.8Low47.9Very low135 Ų135136.8 Ų136.888%0.87775%0.745SS**THydrogen-bonded Turntrans-61.7115.8174.223.7-29.7000109
311G56Low48.2Very low86 Ų86137.7 Ų137.789%0.88774%0.738SS**THydrogen-bonded Turntrans121.9-11.8-179.100000115.5R309R309-G311 PolarHBondContact O-N 3.19Å
312L57Low48Very low116 Ų116140.6 Ų140.661%0.60775%0.745SS**SBendtrans-102.9100.6172.3-153.175.1000108.8R309R309-L312 PolarHBondContact O-N 3.36Å
313G51.8Low47.5Very low69 Ų69143.2 Ų143.271%0.71175%0.754SS**PPolyproline II helixtrans-54149-176.700000113.4M315G313-M315 PolarHBondContact O-N 3.25Å
314T51.9Low47.1Very low136 Ų136139.9 Ų139.983%0.83475%0.751SS**PPolyproline II helixtrans-59.2116.9-179.7-45.90000111.1V316T314-V316 HydrophobicContact CG2-CG2 4.12Å
315M43.2Very low46.4Very low126 Ų126136 Ų13662%0.62175%0.746SS**PPolyproline II helixtrans-87120.6174.3-167.6169-72.400109.2G313 F317G313-M315 PolarHBondContact O-N 3.25Å; M315-F317 HydrophobicContact CG-CE2 4.21Å; M315-F317 HydrophobicContact CG-CZ 4.26Å; M315-F317 HydrophobicContact SD-CE2 4.31Å; M315-F317 HydrophobicContact SD-CZ 3.99Å
316V48.1Very low45.5Very low120 Ų120138.8 Ų138.873%0.72775%0.754SS**  trans-117.8121.3-179.1-179.60000109.6T314T314-V316 HydrophobicContact CG2-CG2 4.12Å
317F43.1Very low44.3Very low176 Ų176141.2 Ų141.277%0.77276%0.762SS**  trans-91.6135.1170.6-64.4-80.2000110.2M315M315-F317 HydrophobicContact CG-CE2 4.21Å; M315-F317 HydrophobicContact CG-CZ 4.26Å; M315-F317 HydrophobicContact SD-CE2 4.31Å; M315-F317 HydrophobicContact SD-CZ 3.99Å
318R43.3Very low43.3Very low240 Ų240136.3 Ų136.391%0.90676%0.759SS**  trans-77.5126.6176.1-72.5-174.1169.4-131.8-1.9110.6
319R40.5Very low42.3Very low203 Ų203140 Ų14077%0.76677%0.774SS**  trans-91.1115.9166.2-168.4172.2-176.1165.42.2108Y321R319-Y321 HydrophobicContact CG-CD2 4.4Å; R319-Y321 HydrophobicContact CG-CE2 3.98Å; R319-Y321 PolarHBondContact NE-OH 3.09Å
320N36.2Very low41Very low150 Ų150135.2 Ų135.280%0.80278%0.78SS**  trans-80.3117.7178.5-113.117.7000110.3
321Y41.2Very low40.1Very low172 Ų172139.7 Ų139.768%0.67578%0.78SS**  trans-111121.6159.2-76.2-87.4000108.4R319R319-Y321 HydrophobicContact CG-CD2 4.4Å; R319-Y321 HydrophobicContact CG-CE2 3.98Å; R319-Y321 PolarHBondContact NE-OH 3.09Å
322L35.2Very low39Very low168 Ų168145.3 Ų145.388%0.8878%0.783SS**  trans-120.697.5150.5-73.5173.4000104.1
323S33.4Very low37.8Very low115 Ų115147.3 Ų147.380%0.80479%0.794SS**  85.598.698.4-155.60000113
324S36.1Very low36.8Very low112 Ų112147.3 Ų147.378%0.78379%0.794SS**  trans-69.1153.7154.5-179.50000110.4
325G30.8Very low35.8Very low70 Ų70144.3 Ų144.372%0.72279%0.79SS**  trans-115.3106150.400000106.8
326L38.6Very low35.3Very low142 Ų142146.4 Ų146.474%0.74380%0.803SS**  68.6118.599.2-15869.6000111.1
327H31.4Very low34.3Very low174 Ų174148.3 Ų148.381%0.80681%0.809SS**  -146.4142.260.7-67.353.3000108.8
328G30.4Very low33.6Very low68 Ų68143.4 Ų143.470%0.70181%0.808SS**  81.9125.951.600000108.9
329L32.4Very low32.9Very low184 Ų184141.4 Ų141.496%0.96381%0.811SS**  cis-160.4159.88.8-69.8156000103.3
330G28.1Very low32.3Very low77 Ų77135 Ų13579%0.79481%0.809SS**  cis-176.9151.425.500000108.5
331R33.5Very low32Very low230 Ų230132.5 Ų132.587%0.86881%0.809SS**  trans-98.3136.1167.9-100168.165.5-174.22.2106.9
332E32.3Very low32.2Very low203 Ų203129.6 Ų129.695%0.94981%0.811SS**  trans-130.4156.3147.1-71.1-16114100109.2
333D32.9Very low31.9Very low158 Ų158133.5 Ų133.585%0.84581%0.814SS**  trans-119.3161.5-149.1-165.712.7000109.7
334G31.5Very low31.6Very low69 Ų69131.6 Ų131.671%0.71181%0.813SS**  trans113.5100.2156.100000119.2
335G28.9Very low31.3Very low73 Ų73136.9 Ų136.975%0.75382%0.815SS**  56.7117.6117.200000123.6
336L33.4Very low31.2Very low170 Ų170139 Ų13989%0.8981%0.81SS**  trans78143.4138.7-62.8168.8000122
337D27.8Very low30.8Very low161 Ų161140.1 Ų140.186%0.86181%0.811SS**  trans84.9126.6162.1-67.7-22.7000122.1
338G27.4Very low30.6Very low72 Ų72137.1 Ų137.174%0.74281%0.81SS**  98.699.2124.700000119.1
339M30Very low30.7Very low198 Ų198139.1 Ų139.198%0.97581%0.813SS**  trans20.9124.2135.8-158.975.194.600119.3
340G27.1Very low31.3Very low70 Ų70135.9 Ų135.972%0.72280%0.803SS**  trans147.9102.315100000116.5
341A30.8Very low31.4Very low96 Ų96137.5 Ų137.579%0.79380%0.802SS**  trans-60.2154.2141.200000107.9
342P43.5Very low31.5Very low112 Ų112134.2 Ų134.273%0.72780%0.801SS**  -156.9169.656.540-17.1000118.6
343R29Very low31.6Very low250 Ų250132.4 Ų132.494%0.94380%0.798SS**  trans63.3120.1136.5-78.9177.2166.2-168.3-3.4121.9
344G28Very low31.7Very low75 Ų75132 Ų13277%0.77380%0.796SS**  114.4151.1120.700000115
345R29.1Very low31.8Very low222 Ų222135.5 Ų135.584%0.83880%0.798SS**  cis178.6127.3-4.7160.9176.9-93.6-120.92.2105.7
346L30.4Very low32.3Very low115 Ų115138.2 Ų138.260%0.60281%0.806SS**  trans61.9140.6143-69.1166.8000124
347Q29Very low32.4Very low165 Ų165138.1 Ų138.177%0.77181%0.805SS**  trans80.8137139.2-77.4170.237.600116.5
348S28.3Very low32.6Very low112 Ų112134.3 Ų134.378%0.78380%0.804SS**  cis-162.4147.329.148.20000112.3
349S31.3Very low32.9Very low110 Ų110137 Ų13777%0.76981%0.811SS**  trans-74.5-165.5158.541.50000110.9
350P46.3Very low33.1Very low116 Ų116131.9 Ų131.975%0.75380%0.801SS**  cis-147.8-175.65.442.6-21.1000117.5
351S28.3Very low33.5Very low111 Ų111135.9 Ų135.978%0.77681%0.805SS**  trans158.5113138.562.50000110.3
352L36.5Very low33.8Very low160 Ų160137.4 Ų137.484%0.83881%0.81SS**  70.6142.865.3-70.7-174.1000117.1
353D33.6Very low33.4Very low165 Ų165139.2 Ų139.288%0.88281%0.813SS**  trans108.9132.2174.9-52.8-17.9000113.1
354D35.3Very low33.9Very low151 Ų151136.3 Ų136.381%0.80781%0.81SS**  cis-168.5163.93.8-178.232.7000109
355D33.1Very low34.1Very low141 Ų141140.2 Ų140.275%0.75481%0.813SS**  trans-68.2153.2-173.1-70.6-55.6000116.3
356S39.9Very low34.5Very low131 Ų131138.1 Ų138.192%0.91681%0.805SS**  trans-149.3117153.5-1460000113.3
357L34.8Very low34.9Very low167 Ų167137.5 Ų137.587%0.87481%0.811SS**  trans-86.7139.2-175.8-69.4159.9000112.4
358G32.4Very low35.1Very low81 Ų81136.4 Ų136.484%0.83582%0.82SS**  trans64.6104.6135.100000119
359S33.3Very low35.6Very low129 Ų129134.8 Ų134.890%0.90282%0.821SS**  trans-121.2102.6150.5-141.20000109.9N361S359-N361 PolarHBondContact O-N 3.21Å
360A35.7Very low35.8Very low91 Ų91136 Ų13675%0.75281%0.814SS**  trans-80.1103.6168.500000108.4
361N35.2Very low35.3Very low154 Ų154139.5 Ų139.582%0.82482%0.821SS**  trans171.584.8151.4-93.1-6000109.4S359S359-N361 PolarHBondContact O-N 3.21Å
362S37.4Very low35.7Very low128 Ų128141.1 Ų141.190%0.89582%0.82SS**  trans-165.150.2154.1-75.40000109.2
363L34.7Very low35.9Very low149 Ų149139 Ų13978%0.7882%0.816SS**  trans-106.972.5174-119.4176.9000107.8
364Q38.3Very low36.1Very low190 Ų190141.8 Ų141.889%0.88881%0.814SS**  trans-149.711.5171.7-126.6101.650.900115.6
365D33.2Very low36.3Very low157 Ų157142 Ų14284%0.8482%0.815SS**  trans-139.668.2171.9-139.20.9000111.3
366R38.1Very low36.7Very low177 Ų177144.5 Ų144.567%0.66882%0.822SS**  trans-94.7103.4153.8-91.8-168.4165.1-179.21.3107.3E370R366-E370 VanDerWaalsContact CZ-CD 3.43Å; R366-E370 IonicContact CZ-OE1 3.78Å; R366-E370 IonicContact CZ-OE2 3.33Å; R366-E370 IonicContact NE-OE1 3.23Å; R366-E370 PolarHBondContact NE-OE1 2.64Å; R366-E370 IonicContact NE-OE2 3.65Å; R366-E370 PolarHBondContact NE-OE2 3.45Å; R366-E370 IonicContact NH1-OE2 3.28Å; R366-E370 IonicContact NH2-OE1 3.68Å; R366-E370 PolarHBondContact NH2-OE1 3.01Å; R366-E370 IonicContact NH2-OE2 2.63Å; R366-E370 PolarHBondContact NH2-OE2 2.83Å
367S37.5Very low36.9Very low103 Ų103145.3 Ų145.372%0.7282%0.816SS**  trans-162.2119.6141.7-91.10000109.4
368C34.7Very low37.4Very low141 Ų141144.6 Ų144.695%0.95381%0.813SS**SBendtrans108.797172.3-52.60000113.3
369G38.2Very low37.7Very low78 Ų78147.7 Ų147.780%0.80481%0.809SS**  trans107.674.1164.900000113.6
370E34.3Very low38.2Very low136 Ų136144.5 Ų144.564%0.63680%0.797SS**  trans-120114.1154.2-85.2-176.1167.100108.4R366R366-E370 VanDerWaalsContact CZ-CD 3.43Å; R366-E370 IonicContact CZ-OE1 3.78Å; R366-E370 IonicContact CZ-OE2 3.33Å; R366-E370 IonicContact NE-OE1 3.23Å; R366-E370 PolarHBondContact NE-OE1 2.64Å; R366-E370 IonicContact NE-OE2 3.65Å; R366-E370 PolarHBondContact NE-OE2 3.45Å; R366-E370 IonicContact NH1-OE2 3.28Å; R366-E370 IonicContact NH2-OE1 3.68Å; R366-E370 PolarHBondContact NH2-OE1 3.01Å; R366-E370 IonicContact NH2-OE2 2.63Å; R366-E370 PolarHBondContact NH2-OE2 2.83Å
371E37.3Very low38.4Very low190 Ų190147.1 Ų147.189%0.88880%0.797SS**  trans-54137.2171.5-73.1162.3145.100110.6
372L35.8Very low38.6Very low144 Ų144146.4 Ų146.475%0.75479%0.793SS**  trans-67.2135.3167.7-75.7159.2000109.1W374L372-W374 PolarHBondContact O-N 2.63Å
373P40.5Very low39.2Very low117 Ų117149.2 Ų149.276%0.7679%0.793SS**  trans-7885178.430.7-33.2000110.2
374W38.3Very low39.8Very low222 Ų222149.4 Ų149.484%0.84179%0.794SS**  trans-107.1104.2154.9-61.7100.4000106.6L372 E376L372-W374 PolarHBondContact O-N 2.63Å; W374-E376 PolarHBondContact O-N 3.28Å; W374-E376 VanDerWaalsContact O-N 3.12Å
375D39.3Very low40.4Very low155 Ų155147.8 Ų147.883%0.82979%0.791SS**  trans-53114.8165.7-77.4-45000108.1L377D375-L377 PolarHBondContact O-N 2.87Å
376E42.2Very low41.4Very low194 Ų194148.4 Ų148.491%0.90779%0.789SS**  trans-64.482.1160.1-77.9-178.1163.700107.6W374 D378W374-E376 PolarHBondContact O-N 3.28Å; W374-E376 VanDerWaalsContact O-N 3.12Å; E376-D378 PolarHBondContact O-N 3.37Å
377L43.4Very low42.1Very low149 Ų149144.5 Ų144.578%0.7879%0.786SS**  trans-60.5100.4150.6-102.4136.5000106.1D375 L379D375-L377 PolarHBondContact O-N 2.87Å; L377-L379 PolarHBondContact O-N 3.36Å
378D45.5Very low43.1Very low152 Ų152148.8 Ų148.881%0.81380%0.795SS**  trans-45.784.3164.8-167.717.9000109.7E376 G380E376-D378 PolarHBondContact O-N 3.37Å; D378-G380 VanDerWaalsContact C-N 3.25Å; D378-G380 PolarHBondContact O-N 3.41Å
379L39Very low44.6Very low146 Ų146145.4 Ų145.476%0.76477%0.77SS**  trans-72.993.2162.7-73.8173.1000104.9L377 L381L377-L379 PolarHBondContact O-N 3.36Å; L379-L381 PolarHBondContact O-N 3.13Å
380G42.6Very low46.8Very low62 Ų62143.5 Ų143.564%0.63974%0.744SS**  trans-56.978.3169.300000111.1D378D378-G380 VanDerWaalsContact C-N 3.25Å; D378-G380 PolarHBondContact O-N 3.41Å
381L40.3Very low49.3Very low146 Ų146141.3 Ų141.376%0.76474%0.742SS**  trans-82.3106.6159.2-64.2177.2000104.5L379 E383L379-L381 PolarHBondContact O-N 3.13Å; L381-E383 PolarHBondContact O-N 3.37Å
382D39.8Very low51.8Low138 Ų138132.7 Ų132.774%0.73870%0.702SS**  trans-43113.5176.3-57.1-51.2000110D384 L385D382-D384 PolarHBondContact O-N 3.19Å; D382-L385 PolarHBondContact O-N 3.01Å
383E50.1Low54.3Low188 Ų188128 Ų12888%0.87968%0.676SS**THydrogen-bonded Turntrans-64.20.3-179.1-72.2-173.5146.600113.4L381 L385L381-E383 PolarHBondContact O-N 3.37Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 3.26Å
384D47Very low56.6Low153 Ų153125.8 Ų125.882%0.81866%0.66SS**THydrogen-bonded Turntrans-84.2-0.2-179.4-67.8-34.3000114.2D382D382-D384 PolarHBondContact O-N 3.19Å
385L51.5Low59.1Low155 Ų155116 Ų11681%0.81262%0.624SS**  trans-116.861.2171.1-101.287.8000111.3D382 E383 P387D382-L385 PolarHBondContact O-N 3.01Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 3.26Å; L385-P387 WeakPolarHBondContact O-CD 3.37Å
386E53Low61.6Low170 Ų170108.6 Ų108.679%0.79458%0.584SS**  trans-59.7118.9157.8-152.6174.1-144.500106.9E388E386-E388 PolarHBondContact O-N 2.92Å
387P52.9Low63.8Low96 Ų96101 Ų10162%0.62356%0.555SS**  trans-66.8108.217725.9-30.5000107L385 T389L385-P387 WeakPolarHBondContact O-CD 3.37Å; P387-T389 HydrophobicContact CB-CG2 4.14Å; P387-T389 PolarHBondContact O-N 2.93Å
388E58.5Low66Low193 Ų19397.8 Ų97.890%0.90254%0.544SS*.  trans-62.128.9168.4-65.7-161.6163.400112.6E386 S390E386-E388 PolarHBondContact O-N 2.92Å; E388-S390 PolarHBondContact O-N 3.28Å
389T67.1Low68.1Low70 Ų7091.2 Ų91.243%0.42951%0.51SS..  trans-79.7113.717958.40000108.7P387 E393 T394P387-T389 HydrophobicContact CB-CG2 4.14Å; P387-T389 PolarHBondContact O-N 2.93Å; T389-E393 WeakPolarHBondContact CA-OE2 3.37Å; T389-T394 WeakPolarHBondContact OG1-CG2 3.44Å
390S83.8Confident70.4Confident37 Ų3791.8 Ų91.826%0.25951%0.508SS..  trans-59.3149177.567.20000110.9E388 L392 E393 T394E388-S390 PolarHBondContact O-N 3.28Å; S390-L392 PolarHBondContact O-N 2.9Å; S390-E393 PolarHBondContact N-OE2 3.42Å; S390-E393 WeakPolarHBondContact O-CA 3.35Å; S390-E393 WeakPolarHBondContact O-CB 3.4Å; S390-E393 PolarHBondContact O-N 2.98Å; S390-E393 VanDerWaalsContact OG-CG 3.23Å; S390-E393 WeakPolarHBondContact OG-CG 3.38Å; S390-E393 PolarHBondContact OG-N 3.34Å; S390-E393 PolarHBondContact OG-OE1 2.9Å; S390-T394 PolarHBondContact O-N 3.06Å
391P88.3Confident72.5Confident90 Ų9090.1 Ų90.158%0.58448%0.484SS*.Hα-helixtrans-54.8-25.7176.9-28.235.2000114.1T394 F395 L415P391-T394 WeakPolarHBondContact CA-OG1 3.49Å; P391-T394 PolarHBondContact O-OG1 3.15Å; P391-T394 VanDerWaalsContact O-OG1 3.04Å; P391-F395 WeakPolarHBondContact O-CB 3.33Å; P391-F395 PolarHBondContact O-N 3.07Å; P391-L415 HydrophobicContact CB-CD2 4.31Å
392L88.3Confident74.8Confident9 Ų989 Ų895%0.04748%0.475CS..Hα-helixtrans-69.7-42.7172.1178.866.1000111.9S390 F395 L396 L408 I413 L415 L418S390-L392 PolarHBondContact O-N 2.9Å; L392-F395 PolarHBondContact O-N 3.38Å; L392-L396 HydrophobicContact CD1-CD1 4.16Å; L392-L396 HydrophobicContact CD1-CG 4.38Å; L392-L396 HydrophobicContact CG-CD1 4.01Å; L392-L396 WeakPolarHBondContact O-CB 3.33Å; L392-L396 VanDerWaalsContact O-CG 3.27Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 2.9Å; L392-L408 HydrophobicContact CD1-CD1 4.31Å; L392-L408 HydrophobicContact CD2-CB 4.03Å; L392-I413 VanDerWaalsContact CD2-O 3.24Å; L392-I413 WeakPolarHBondContact CD2-O 3.1Å; L392-L415 HydrophobicContact CB-CB 4.45Å; L392-L415 HydrophobicContact CD1-CB 4.49Å; L392-L415 HydrophobicContact CD1-CD1 4.44Å; L392-L418 HydrophobicContact CD1-CD2 3.75Å
393E87.9Confident77Confident45 Ų4589.2 Ų89.221%0.2148%0.476CS..Hα-helixtrans-65.8-44.1177.7-75.5154.6-142.300112.1T389 S390 F395 L396 A397 A405 R409T389-E393 WeakPolarHBondContact CA-OE2 3.37Å; S390-E393 PolarHBondContact N-OE2 3.42Å; S390-E393 WeakPolarHBondContact O-CA 3.35Å; S390-E393 WeakPolarHBondContact O-CB 3.4Å; S390-E393 PolarHBondContact O-N 2.98Å; S390-E393 VanDerWaalsContact OG-CG 3.23Å; S390-E393 WeakPolarHBondContact OG-CG 3.38Å; S390-E393 PolarHBondContact OG-N 3.34Å; S390-E393 PolarHBondContact OG-OE1 2.9Å; E393-F395 VanDerWaalsContact C-N 3.28Å; E393-F395 PolarHBondContact O-N 3.3Å; E393-L396 PolarHBondContact O-N 2.85Å; E393-A397 WeakPolarHBondContact O-CB 3.24Å; E393-A397 PolarHBondContact O-N 2.83Å; E393-A405 HydrophobicContact CG-CB 4.13Å; E393-R409 IonicContact OE1-CZ 3.52Å; E393-R409 IonicContact OE1-NE 2.67Å; E393-R409 PolarHBondContact OE1-NE 3.17Å; E393-R409 IonicContact OE1-NH2 2.72Å; E393-R409 PolarHBondContact OE1-NH2 3.5Å; E393-R409 IonicContact OE2-NH2 3.54Å
394T89.8Confident78.8Confident71 Ų7181.5 Ų81.544%0.43644%0.439SS..Hα-helixtrans-62.4-39.2176.558.20000111.1T389 S390 P391 S398T389-T394 WeakPolarHBondContact OG1-CG2 3.44Å; S390-T394 PolarHBondContact O-N 3.06Å; P391-T394 WeakPolarHBondContact CA-OG1 3.49Å; P391-T394 PolarHBondContact O-OG1 3.15Å; P391-T394 VanDerWaalsContact O-OG1 3.04Å; T394-S398 PolarHBondContact O-N 3.19Å
395F91.1Very high80.7Confident17 Ų1774.4 Ų74.48%0.07540%0.402CS..Hα-helixtrans-63.8-45.5173.8179.2-106.6000112.4P391 L392 E393 S398 L399 L415 L418 A442 V443P391-F395 WeakPolarHBondContact O-CB 3.33Å; P391-F395 PolarHBondContact O-N 3.07Å; L392-F395 PolarHBondContact O-N 3.38Å; E393-F395 VanDerWaalsContact C-N 3.28Å; E393-F395 PolarHBondContact O-N 3.3Å; F395-S398 PolarHBondContact O-N 3.35Å; F395-S398 PolarHBondContact O-OG 3.11Å; F395-L399 HydrophobicContact CD1-CD1 4.31Å; F395-L399 HydrophobicContact CE1-CD1 3.78Å; F395-L399 HydrophobicContact CE2-CD1 4.45Å; F395-L399 HydrophobicContact CZ-CD1 3.87Å; F395-L399 WeakPolarHBondContact O-CG 3.45Å; F395-L399 PolarHBondContact O-N 3.23Å; F395-L415 HydrophobicContact CB-CD1 3.85Å; F395-L415 HydrophobicContact CB-CD2 4.42Å; F395-L415 HydrophobicContact CD1-CD1 3.53Å; F395-L415 HydrophobicContact CD2-CD1 4.22Å; F395-L415 HydrophobicContact CE1-CD1 4.09Å; F395-L415 HydrophobicContact CG-CD1 3.6Å; F395-L418 HydrophobicContact CD1-CD2 4.27Å; F395-L418 HydrophobicContact CE1-CD2 4.07Å; F395-A442 HydrophobicContact CE2-CB 4.31Å; F395-A442 HydrophobicContact CZ-CB 3.8Å; F395-V443 HydrophobicContact CE1-CG2 4.16Å; F395-V443 HydrophobicContact CZ-CG2 4.04Å
396L90.7Very high82.3Confident0 Ų069.8 Ų69.80%039%0.386CS..Hα-helixtrans-69.7-35.8178.7-70.3171.9000112.7L392 E393 S398 L399 H400 M401 A405 L408 I439L392-L396 HydrophobicContact CD1-CD1 4.16Å; L392-L396 HydrophobicContact CD1-CG 4.38Å; L392-L396 HydrophobicContact CG-CD1 4.01Å; L392-L396 WeakPolarHBondContact O-CB 3.33Å; L392-L396 VanDerWaalsContact O-CG 3.27Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 2.9Å; E393-L396 PolarHBondContact O-N 2.85Å; L396-S398 VanDerWaalsContact C-N 3.33Å; L396-S398 PolarHBondContact O-N 2.89Å; L396-L399 CarbonylContact O-C 3.58Å; L396-L399 WeakPolarHBondContact O-CA 3.46Å; L396-L399 PolarHBondContact O-N 3.38Å; L396-H400 PolarHBondContact O-N 2.91Å; L396-H400 VanDerWaalsContact O-N 3.1Å; L396-M401 HydrophobicContact CD2-CB 4.23Å; L396-M401 PolarHBondContact O-N 2.78Å; L396-A405 HydrophobicContact CD1-CB 3.73Å; L396-L408 HydrophobicContact CD1-CD1 4.03Å; L396-L408 HydrophobicContact CD2-CD1 4.48Å; L396-I439 HydrophobicContact CD2-CD1 4.32Å; L396-I439 HydrophobicContact CD2-CG1 4.44Å
397A89.5Confident83.9Confident34 Ų3464.3 Ų64.328%0.28136%0.362SS..Hα-helixtrans-60.9-42.4173.500000110.9E393 L399 H400 E402E393-A397 WeakPolarHBondContact O-CB 3.24Å; E393-A397 PolarHBondContact O-N 2.83Å; A397-L399 PolarHBondContact O-N 2.93Å; A397-L399 VanDerWaalsContact O-N 3.09Å; A397-H400 PolarHBondContact O-N 3.14Å; A397-E402 HydrophobicContact CB-CG 4.17Å
398S89.1Confident85.5Confident81 Ų8159.9 Ų59.957%0.56633%0.333SS*.Hα-helixtrans-60.7-21.9173.982.20000113.7T394 F395 L396T394-S398 PolarHBondContact O-N 3.19Å; F395-S398 PolarHBondContact O-N 3.35Å; F395-S398 PolarHBondContact O-OG 3.11Å; L396-S398 VanDerWaalsContact C-N 3.33Å; L396-S398 PolarHBondContact O-N 2.89Å
399L88.9Confident86.8Confident15 Ų1556.6 Ų56.68%0.07931%0.312CS..THydrogen-bonded Turntrans-98.4-0.9177.4-59.7177.2000112.9F395 L396 A397 M401 K438 A442F395-L399 HydrophobicContact CD1-CD1 4.31Å; F395-L399 HydrophobicContact CE1-CD1 3.78Å; F395-L399 HydrophobicContact CE2-CD1 4.45Å; F395-L399 HydrophobicContact CZ-CD1 3.87Å; F395-L399 WeakPolarHBondContact O-CG 3.45Å; F395-L399 PolarHBondContact O-N 3.23Å; L396-L399 CarbonylContact O-C 3.58Å; L396-L399 WeakPolarHBondContact O-CA 3.46Å; L396-L399 PolarHBondContact O-N 3.38Å; A397-L399 PolarHBondContact O-N 2.93Å; A397-L399 VanDerWaalsContact O-N 3.09Å; L399-M401 VanDerWaalsContact C-N 3.32Å; L399-M401 HydrophobicContact CB-CB 4.29Å; L399-M401 HydrophobicContact CB-CG 4.08Å; L399-M401 WeakPolarHBondContact O-CG 3.34Å; L399-K438 WeakPolarHBondContact O-CE 3.5Å; L399-K438 PolarHBondContact O-NZ 3.47Å; L399-A442 HydrophobicContact CD1-CB 3.48Å; L399-A442 VanDerWaalsContact CD1-CB 3.48Å; L399-A442 HydrophobicContact CD2-CB 3.47Å; L399-A442 VanDerWaalsContact CD2-CB 3.47Å; L399-A442 HydrophobicContact CG-CB 4.1Å
400H88.2Confident87.8Confident157 Ų15760.1 Ų60.173%0.72732%0.324SS*.THydrogen-bonded Turntrans52.948.1-169.6-51.5-65.8000111.8L396 A397L396-H400 PolarHBondContact O-N 2.91Å; L396-H400 VanDerWaalsContact O-N 3.1Å; A397-H400 PolarHBondContact O-N 3.14Å
401M86.6Confident88Confident27 Ų2763.9 Ų63.913%0.13334%0.337CS..  trans-131.540-174.6-70-66.5178.300112L396 L399 D403 F404 P435 K438L396-M401 HydrophobicContact CD2-CB 4.23Å; L396-M401 PolarHBondContact O-N 2.78Å; L399-M401 VanDerWaalsContact C-N 3.32Å; L399-M401 HydrophobicContact CB-CB 4.29Å; L399-M401 HydrophobicContact CB-CG 4.08Å; L399-M401 WeakPolarHBondContact O-CG 3.34Å; M401-D403 VanDerWaalsContact C-N 3.3Å; M401-D403 PolarHBondContact O-N 3.37Å; M401-F404 HydrophobicContact CB-CD2 4.09Å; M401-F404 PolarHBondContact O-N 2.89Å; M401-F404 HydrophobicContact SD-CD2 3.93Å; M401-F404 HydrophobicContact SD-CE2 3.68Å; M401-P435 HydrophobicContact CE-CB 3.84Å; M401-P435 HydrophobicContact CE-CG 3.89Å; M401-P435 HydrophobicContact SD-CB 3.77Å; M401-P435 HydrophobicContact SD-CG 4.02Å; M401-K438 HydrophobicContact CE-CB 4.37Å; M401-K438 HydrophobicContact CE-CD 3.43Å; M401-K438 VanDerWaalsContact CE-CD 3.43Å; M401-K438 HydrophobicContact CE-CG 4.5Å
402E88.2Confident87.9Confident123 Ų12368.7 Ų68.758%0.57535%0.349SS*.THydrogen-bonded Turntrans-65.5-31.4-174.4-64.7169.2-158.300112.9A397 F404 A405A397-E402 HydrophobicContact CB-CG 4.17Å; E402-F404 PolarHBondContact O-N 3.11Å; E402-F404 VanDerWaalsContact O-N 3.09Å; E402-A405 WeakPolarHBondContact O-CB 3.45Å; E402-A405 PolarHBondContact O-N 3.43Å
403D87.3Confident87.9Confident142 Ų14269.3 Ų69.376%0.75935%0.352SS*.Hα-helixtrans-58-27.4178.8-59.4-29.5000113.1M401M401-D403 VanDerWaalsContact C-N 3.3Å; M401-D403 PolarHBondContact O-N 3.37Å
404F87.8Confident88Confident26 Ų2671.2 Ų71.211%0.11436%0.364CS..Hα-helixtrans-84.9-10179.9-61.9-76.5000113.3M401 E402 A406 L407 L408 V431 P432 P435M401-F404 HydrophobicContact CB-CD2 4.09Å; M401-F404 PolarHBondContact O-N 2.89Å; M401-F404 HydrophobicContact SD-CD2 3.93Å; M401-F404 HydrophobicContact SD-CE2 3.68Å; E402-F404 PolarHBondContact O-N 3.11Å; E402-F404 VanDerWaalsContact O-N 3.09Å; F404-A406 VanDerWaalsContact C-N 3.32Å; F404-A406 PolarHBondContact O-N 3.08Å; F404-L407 HydrophobicContact CD1-CD1 3.99Å; F404-L407 HydrophobicContact CE1-CD1 4.49Å; F404-L407 PolarHBondContact O-N 2.89Å; F404-L408 WeakPolarHBondContact O-CG 3.21Å; F404-L408 PolarHBondContact O-N 3.28Å; F404-V431 HydrophobicContact CD1-CG1 4.11Å; F404-V431 HydrophobicContact CD1-CG2 4.21Å; F404-V431 HydrophobicContact CE1-CG1 3.98Å; F404-P432 HydrophobicContact CE1-CG 4.3Å; F404-P432 HydrophobicContact CZ-CG 4.03Å; F404-P435 HydrophobicContact CD2-CB 4.35Å; F404-P435 HydrophobicContact CE2-CB 3.61Å; F404-P435 HydrophobicContact CE2-CG 3.79Å; F404-P435 HydrophobicContact CZ-CB 3.74Å; F404-P435 HydrophobicContact CZ-CG 3.76Å
405A85.8Confident88Confident4 Ų468.9 Ų68.93%0.03335%0.349CS..Hα-helixtrans-62.8-40.617900000111.3E393 L396 E402 L407 L408 R409E393-A405 HydrophobicContact CG-CB 4.13Å; L396-A405 HydrophobicContact CD1-CB 3.73Å; E402-A405 WeakPolarHBondContact O-CB 3.45Å; E402-A405 PolarHBondContact O-N 3.43Å; A405-L407 PolarHBondContact O-N 2.89Å; A405-L408 PolarHBondContact O-N 3.29Å; A405-R409 WeakPolarHBondContact O-CB 3.47Å; A405-R409 VanDerWaalsContact O-CG 3.29Å; A405-R409 WeakPolarHBondContact O-CG 3.48Å; A405-R409 PolarHBondContact O-N 3.11Å
406A85.1Confident87.9Confident58 Ų5875.2 Ų75.248%0.47938%0.378SS..Hα-helixtrans-64-41.2177.900000112.5F404 R409 Q410F404-A406 VanDerWaalsContact C-N 3.32Å; F404-A406 PolarHBondContact O-N 3.08Å; A406-R409 PolarHBondContact O-N 3.32Å; A406-Q410 WeakPolarHBondContact O-CB 3.39Å; A406-Q410 PolarHBondContact O-N 3.09Å
407L86.8Confident87.9Confident56 Ų5676.8 Ų76.829%0.29339%0.392SS..Hα-helixtrans-66.3-43.6178.5-68.3172.4000111.9F404 A405 Q410 E411F404-L407 HydrophobicContact CD1-CD1 3.99Å; F404-L407 HydrophobicContact CE1-CD1 4.49Å; F404-L407 PolarHBondContact O-N 2.89Å; A405-L407 PolarHBondContact O-N 2.89Å; L407-Q410 PolarHBondContact O-N 2.97Å; L407-E411 PolarHBondContact O-N 3.08Å
408L87.5Confident87.9Confident3 Ų375.2 Ų75.22%0.01638%0.379CS..Hα-helixtrans-68.7-37.1177.6-67.5172000111.8L392 L396 F404 A405 E411 K412 I413 L418 L426 I429L392-L408 HydrophobicContact CD1-CD1 4.31Å; L392-L408 HydrophobicContact CD2-CB 4.03Å; L396-L408 HydrophobicContact CD1-CD1 4.03Å; L396-L408 HydrophobicContact CD2-CD1 4.48Å; F404-L408 WeakPolarHBondContact O-CG 3.21Å; F404-L408 PolarHBondContact O-N 3.28Å; A405-L408 PolarHBondContact O-N 3.29Å; L408-E411 PolarHBondContact O-N 3.31Å; L408-K412 PolarHBondContact O-N 2.91Å; L408-K412 VanDerWaalsContact O-N 3.16Å; L408-I413 HydrophobicContact CB-CB 4.38Å; L408-I413 HydrophobicContact CD2-CB 4.14Å; L408-I413 HydrophobicContact CD2-CD1 3.92Å; L408-I413 HydrophobicContact CD2-CG2 4.12Å; L408-I413 PolarHBondContact O-N 3.37Å; L408-L418 HydrophobicContact CD1-CD1 4.22Å; L408-L418 HydrophobicContact CD1-CD2 4.26Å; L408-L418 HydrophobicContact CD2-CD1 4.25Å; L408-L426 HydrophobicContact CD2-CD2 4.42Å; L408-I429 HydrophobicContact CD2-CD1 4.48Å
409R86Confident87.9Confident123 Ų12372.9 Ų72.946%0.46436%0.359SS..Hα-helixtrans-64-39.5172.3-75.5-167.3-131.3104.6-9.6112.4E393 A405 A406 E411 K412E393-R409 IonicContact OE1-CZ 3.52Å; E393-R409 IonicContact OE1-NE 2.67Å; E393-R409 PolarHBondContact OE1-NE 3.17Å; E393-R409 IonicContact OE1-NH2 2.72Å; E393-R409 PolarHBondContact OE1-NH2 3.5Å; E393-R409 IonicContact OE2-NH2 3.54Å; A405-R409 WeakPolarHBondContact O-CB 3.47Å; A405-R409 VanDerWaalsContact O-CG 3.29Å; A405-R409 WeakPolarHBondContact O-CG 3.48Å; A405-R409 PolarHBondContact O-N 3.11Å; A406-R409 PolarHBondContact O-N 3.32Å; R409-E411 VanDerWaalsContact C-N 3.3Å; R409-E411 PolarHBondContact O-N 3.28Å; R409-K412 PolarHBondContact O-N 3.44Å
410Q87.6Confident87.9Confident145 Ų14579.1 Ų79.168%0.67839%0.392SS*.Hα-helixtrans-61.2-40.5178.4-175.7174600111.8A406 L407 K412A406-Q410 WeakPolarHBondContact O-CB 3.39Å; A406-Q410 PolarHBondContact O-N 3.09Å; L407-Q410 PolarHBondContact O-N 2.97Å; Q410-K412 VanDerWaalsContact C-N 3.25Å; Q410-K412 PolarHBondContact O-N 2.99Å
411E87.6Confident87.9Confident115 Ų11572.8 Ų72.854%0.53737%0.365SS..THydrogen-bonded Turntrans-84.76.5176.1-66-61.3144.300113.5L407 L408 R409 I413 I429L407-E411 PolarHBondContact O-N 3.08Å; L408-E411 PolarHBondContact O-N 3.31Å; R409-E411 VanDerWaalsContact C-N 3.3Å; R409-E411 PolarHBondContact O-N 3.28Å; E411-I413 VanDerWaalsContact C-N 3.26Å; E411-I413 HydrophobicContact CB-CD1 3.87Å; E411-I413 HydrophobicContact CB-CG1 4.08Å; E411-I413 PolarHBondContact O-N 2.93Å; E411-I429 HydrophobicContact CG-CG1 4.35Å; E411-I429 HydrophobicContact CG-CG2 3.94Å
412K86.4Confident88.1Confident191 Ų19174 Ų7483%0.8338%0.376SS*.THydrogen-bonded Turntrans55.336.9-178.7-56.4-179.1179179.80113.8L408 R409 Q410L408-K412 PolarHBondContact O-N 2.91Å; L408-K412 VanDerWaalsContact O-N 3.16Å; R409-K412 PolarHBondContact O-N 3.44Å; Q410-K412 VanDerWaalsContact C-N 3.25Å; Q410-K412 PolarHBondContact O-N 2.99Å
413I88.4Confident88.1Confident22 Ų2271.3 Ų71.311%0.11337%0.365CS..  trans-93.2108.5176.3-60.4168.8000107.8L392 L408 E411 A417 L418 I429L392-I413 VanDerWaalsContact CD2-O 3.24Å; L392-I413 WeakPolarHBondContact CD2-O 3.1Å; L408-I413 HydrophobicContact CB-CB 4.38Å; L408-I413 HydrophobicContact CD2-CB 4.14Å; L408-I413 HydrophobicContact CD2-CD1 3.92Å; L408-I413 HydrophobicContact CD2-CG2 4.12Å; L408-I413 PolarHBondContact O-N 3.37Å; E411-I413 VanDerWaalsContact C-N 3.26Å; E411-I413 HydrophobicContact CB-CD1 3.87Å; E411-I413 HydrophobicContact CB-CG1 4.08Å; E411-I413 PolarHBondContact O-N 2.93Å; I413-A417 HydrophobicContact CG2-CB 3.97Å; I413-L418 HydrophobicContact CG2-CB 3.99Å; I413-L418 HydrophobicContact CG2-CD1 4.43Å; I413-I429 HydrophobicContact CD1-CD1 3.18Å; I413-I429 HydrophobicContact CD1-CG1 4.19Å
414D90.3Very high88.2Confident86 Ų8670.2 Ų70.246%0.4636%0.359SS..  trans-83.5178.417160.37.1000111.5E416 A417 L418D414-E416 VanDerWaalsContact C-N 3.26Å; D414-E416 PolarHBondContact O-N 2.95Å; D414-A417 PolarHBondContact O-N 2.99Å; D414-A417 WeakPolarHBondContact OD1-CB 3.35Å; D414-A417 PolarHBondContact OD1-N 2.76Å; D414-L418 VanDerWaalsContact O-CB 3.31Å; D414-L418 WeakPolarHBondContact O-CB 3.41Å; D414-L418 PolarHBondContact O-N 2.92Å
415L89.4Confident88.3Confident21 Ų2172.1 Ų72.111%0.1137%0.37CS..Hα-helixtrans-61.9-35.6-178-17861.5000112P391 L392 F395 L418 M419P391-L415 HydrophobicContact CB-CD2 4.31Å; L392-L415 HydrophobicContact CB-CB 4.45Å; L392-L415 HydrophobicContact CD1-CB 4.49Å; L392-L415 HydrophobicContact CD1-CD1 4.44Å; F395-L415 HydrophobicContact CB-CD1 3.85Å; F395-L415 HydrophobicContact CB-CD2 4.42Å; F395-L415 HydrophobicContact CD1-CD1 3.53Å; F395-L415 HydrophobicContact CD2-CD1 4.22Å; F395-L415 HydrophobicContact CE1-CD1 4.09Å; F395-L415 HydrophobicContact CG-CD1 3.6Å; L415-L418 PolarHBondContact O-N 2.85Å; L415-M419 VanDerWaalsContact O-CG 3.3Å; L415-M419 WeakPolarHBondContact O-CG 3.46Å; L415-M419 PolarHBondContact O-N 2.96Å
416E89.4Confident88.4Confident150 Ų15071.9 Ų71.970%0.70137%0.369SS*.Hα-helixtrans-70.8-43.8178.6-63.7-17017400111.8D414 L418 M419 L420D414-E416 VanDerWaalsContact C-N 3.26Å; D414-E416 PolarHBondContact O-N 2.95Å; E416-L418 VanDerWaalsContact C-N 3.33Å; E416-L418 PolarHBondContact O-N 3.24Å; E416-M419 WeakPolarHBondContact O-CB 3.23Å; E416-M419 PolarHBondContact O-N 3.01Å; E416-M419 VanDerWaalsContact O-N 3.13Å; E416-L420 PolarHBondContact O-N 2.99Å
417A89.6Confident88.6Confident34 Ų3477.1 Ų77.128%0.28138%0.376SS..Hα-helixtrans-63-41172.800000111.3I413 D414 M419 L420 C421I413-A417 HydrophobicContact CG2-CB 3.97Å; D414-A417 PolarHBondContact O-N 2.99Å; D414-A417 WeakPolarHBondContact OD1-CB 3.35Å; D414-A417 PolarHBondContact OD1-N 2.76Å; A417-M419 PolarHBondContact O-N 3.28Å; A417-L420 WeakPolarHBondContact O-CA 3.43Å; A417-L420 PolarHBondContact O-N 2.92Å; A417-C421 PolarHBondContact O-N 3.33Å; A417-C421 VanDerWaalsContact O-N 3.11Å; A417-C421 PolarHBondContact O-SG 2.94Å
418L90.4Very high88.6Confident1 Ų179.1 Ų79.11%0.00539%0.394CS..Hα-helixtrans-60.1-33.6174.4-173.565.5000111.8L392 F395 L408 I413 D414 L415 E416 L420 C421 L426 I439 V443L392-L418 HydrophobicContact CD1-CD2 3.75Å; F395-L418 HydrophobicContact CD1-CD2 4.27Å; F395-L418 HydrophobicContact CE1-CD2 4.07Å; L408-L418 HydrophobicContact CD1-CD1 4.22Å; L408-L418 HydrophobicContact CD1-CD2 4.26Å; L408-L418 HydrophobicContact CD2-CD1 4.25Å; I413-L418 HydrophobicContact CG2-CB 3.99Å; I413-L418 HydrophobicContact CG2-CD1 4.43Å; D414-L418 VanDerWaalsContact O-CB 3.31Å; D414-L418 WeakPolarHBondContact O-CB 3.41Å; D414-L418 PolarHBondContact O-N 2.92Å; L415-L418 PolarHBondContact O-N 2.85Å; E416-L418 VanDerWaalsContact C-N 3.33Å; E416-L418 PolarHBondContact O-N 3.24Å; L418-L420 PolarHBondContact O-N 3.5Å; L418-C421 PolarHBondContact O-N 3.1Å; L418-L426 HydrophobicContact CD1-CD2 3.82Å; L418-I439 HydrophobicContact CD1-CG2 4.06Å; L418-I439 HydrophobicContact CD2-CG2 4.01Å; L418-I439 HydrophobicContact CG-CG2 4.27Å; L418-V443 HydrophobicContact CG-CG2 4.3Å
419M88.6Confident88.5Confident32 Ų3279.8 Ų79.816%0.15840%0.398CS..Hα-helixtrans-66.2-21.6174-75178.363.600113L415 E416 A417 V443 R447 M450L415-M419 VanDerWaalsContact O-CG 3.3Å; L415-M419 WeakPolarHBondContact O-CG 3.46Å; L415-M419 PolarHBondContact O-N 2.96Å; E416-M419 WeakPolarHBondContact O-CB 3.23Å; E416-M419 PolarHBondContact O-N 3.01Å; E416-M419 VanDerWaalsContact O-N 3.13Å; A417-M419 PolarHBondContact O-N 3.28Å; M419-V443 HydrophobicContact CB-CG1 4.3Å; M419-V443 HydrophobicContact CG-CG1 4.2Å; M419-R447 HydrophobicContact CE-CB 4.38Å; M419-R447 PolarHBondContact O-NH2 2.99Å; M419-M450 HydrophobicContact CE-SD 3.92Å
420L89.1Confident88.4Confident146 Ų14678.2 Ų78.276%0.76441%0.406SS*.Hα-helixtrans-97.2-15.3178.5-61.8175.3000113.5E416 A417 L418E416-L420 PolarHBondContact O-N 2.99Å; A417-L420 WeakPolarHBondContact O-CA 3.43Å; A417-L420 PolarHBondContact O-N 2.92Å; L418-L420 PolarHBondContact O-N 3.5Å
421C88.8Confident88.4Confident23 Ų2371.6 Ų71.616%0.15538%0.375CS..  trans-62.1139.4-178.6-68.50000113.5A417 L418 D425 L426A417-C421 PolarHBondContact O-N 3.33Å; A417-C421 VanDerWaalsContact O-N 3.11Å; A417-C421 PolarHBondContact O-SG 2.94Å; L418-C421 PolarHBondContact O-N 3.1Å; C421-D425 HydrophobicContact CB-CB 4.25Å; C421-L426 HydrophobicContact CB-CD2 4.44Å; C421-L426 HydrophobicContact CB-CG 4.36Å
422S89.6Confident88.5Confident52 Ų5269.3 Ų69.336%0.36437%0.37SS..  trans-90.5170.1169.8750000112.2L424 D425 L426S422-L424 PolarHBondContact O-N 3.22Å; S422-L424 PolarHBondContact OG-N 3.28Å; S422-D425 WeakPolarHBondContact CA-OD2 3.37Å; S422-D425 VanDerWaalsContact CB-OD2 3.3Å; S422-D425 WeakPolarHBondContact CB-OD2 3.43Å; S422-D425 PolarHBondContact N-OD2 3.19Å; S422-D425 PolarHBondContact O-N 2.76Å; S422-D425 PolarHBondContact OG-N 3.01Å; S422-D425 PolarHBondContact OG-OD2 3.46Å; S422-L426 PolarHBondContact O-N 3.16Å
423D89.6Confident88.5Confident67 Ų6764.7 Ų64.736%0.35835%0.354SS..Hα-helixtrans-60.1-28.9173.9-169.678.3000112.5R427 R436 L440D423-R427 WeakPolarHBondContact O-CB 3.43Å; D423-R427 PolarHBondContact O-N 2.78Å; D423-R427 VanDerWaalsContact O-N 3.12Å; D423-R436 WeakPolarHBondContact O-CD 3.47Å; D423-R436 WeakPolarHBondContact OD1-CD 3.49Å; D423-R436 IonicContact OD1-CZ 3.34Å; D423-R436 IonicContact OD1-NE 3.32Å; D423-R436 PolarHBondContact OD1-NE 3.48Å; D423-R436 IonicContact OD1-NH2 3.48Å; D423-R436 PolarHBondContact OD1-NH2 3.34Å; D423-R436 IonicContact OD2-CZ 3.5Å; D423-R436 IonicContact OD2-NE 3.05Å; D423-R436 PolarHBondContact OD2-NE 2.87Å; D423-R436 IonicContact OD2-NH2 2.77Å; D423-R436 PolarHBondContact OD2-NH2 2.89Å; D423-L440 HydrophobicContact CB-CD1 3.85Å
424L88.9Confident88.5Confident119 Ų11966 Ų6662%0.62337%0.373SS*.Hα-helixtrans-71.1-39.6177.2-173.964.7000111.5S422 R427 S428S422-L424 PolarHBondContact O-N 3.22Å; S422-L424 PolarHBondContact OG-N 3.28Å; L424-R427 WeakPolarHBondContact O-CB 3.48Å; L424-R427 PolarHBondContact O-N 3.38Å; L424-S428 PolarHBondContact O-N 2.92Å
425D90.6Very high88.5Confident66 Ų6663.1 Ų63.135%0.35336%0.359SS..Hα-helixtrans-66.9-46.3-178.7-53.9-41.6000110.2C421 S422 R427 S428 I429C421-D425 HydrophobicContact CB-CB 4.25Å; S422-D425 WeakPolarHBondContact CA-OD2 3.37Å; S422-D425 VanDerWaalsContact CB-OD2 3.3Å; S422-D425 WeakPolarHBondContact CB-OD2 3.43Å; S422-D425 PolarHBondContact N-OD2 3.19Å; S422-D425 PolarHBondContact O-N 2.76Å; S422-D425 PolarHBondContact OG-N 3.01Å; S422-D425 PolarHBondContact OG-OD2 3.46Å; D425-R427 VanDerWaalsContact C-N 3.25Å; D425-R427 PolarHBondContact O-N 3.21Å; D425-S428 WeakPolarHBondContact O-CB 3.41Å; D425-S428 PolarHBondContact O-N 2.94Å; D425-S428 PolarHBondContact O-OG 3.49Å; D425-I429 VanDerWaalsContact O-CD1 3.31Å; D425-I429 WeakPolarHBondContact O-CD1 3.47Å; D425-I429 WeakPolarHBondContact O-CG1 3.38Å; D425-I429 PolarHBondContact O-N 3.49Å
426L87.7Confident88.6Confident0 Ų063.2 Ų63.20%036%0.358CS..Hα-helixtrans-65.6-28.7174.7-65.2179.7000113L408 L418 C421 S422 I429 V431 R436 I439 L440L408-L426 HydrophobicContact CD2-CD2 4.42Å; L418-L426 HydrophobicContact CD1-CD2 3.82Å; C421-L426 HydrophobicContact CB-CD2 4.44Å; C421-L426 HydrophobicContact CB-CG 4.36Å; S422-L426 PolarHBondContact O-N 3.16Å; L426-I429 HydrophobicContact CD2-CD1 4.38Å; L426-V431 HydrophobicContact CB-CB 4.48Å; L426-V431 WeakPolarHBondContact O-CB 3.5Å; L426-V431 PolarHBondContact O-N 2.76Å; L426-V431 VanDerWaalsContact O-N 3.12Å; L426-R436 HydrophobicContact CB-CG 3.64Å; L426-R436 HydrophobicContact CD1-CG 3.88Å; L426-R436 HydrophobicContact CG-CG 4.44Å; L426-I439 HydrophobicContact CD1-CG2 4.33Å; L426-L440 HydrophobicContact CD1-CD1 4.23Å; L426-L440 HydrophobicContact CD1-CD2 3.75Å; L426-L440 HydrophobicContact CD1-CG 3.71Å
427R88.7Confident88.7Confident168 Ų16862.4 Ų62.463%0.63435%0.352SS*.Hα-helixtrans-68.4-37.2171.5-176.8-178.9178.9-176.4-1.5111.5D423 L424 D425 I429 S430D423-R427 WeakPolarHBondContact O-CB 3.43Å; D423-R427 PolarHBondContact O-N 2.78Å; D423-R427 VanDerWaalsContact O-N 3.12Å; L424-R427 WeakPolarHBondContact O-CB 3.48Å; L424-R427 PolarHBondContact O-N 3.38Å; D425-R427 VanDerWaalsContact C-N 3.25Å; D425-R427 PolarHBondContact O-N 3.21Å; R427-I429 PolarHBondContact O-N 2.82Å; R427-S430 PolarHBondContact O-N 3.49Å
428S86.6Confident88.9Confident97 Ų9765.1 Ų65.168%0.67836%0.358SS*.Hα-helixtrans-65.2-3117877.10000112.3L424 D425 S430L424-S428 PolarHBondContact O-N 2.92Å; D425-S428 WeakPolarHBondContact O-CB 3.41Å; D425-S428 PolarHBondContact O-N 2.94Å; D425-S428 PolarHBondContact O-OG 3.49Å; S428-S430 PolarHBondContact O-N 2.85Å
429I85.3Confident88.9Confident18 Ų1865.1 Ų65.19%0.09236%0.358CS..THydrogen-bonded Turntrans-86.817.5178-49.5149000111.5L408 E411 I413 D425 L426 R427 V431L408-I429 HydrophobicContact CD2-CD1 4.48Å; E411-I429 HydrophobicContact CG-CG1 4.35Å; E411-I429 HydrophobicContact CG-CG2 3.94Å; I413-I429 HydrophobicContact CD1-CD1 3.18Å; I413-I429 HydrophobicContact CD1-CG1 4.19Å; D425-I429 VanDerWaalsContact O-CD1 3.31Å; D425-I429 WeakPolarHBondContact O-CD1 3.47Å; D425-I429 WeakPolarHBondContact O-CG1 3.38Å; D425-I429 PolarHBondContact O-N 3.49Å; L426-I429 HydrophobicContact CD2-CD1 4.38Å; R427-I429 PolarHBondContact O-N 2.82Å; I429-V431 VanDerWaalsContact C-N 3.27Å; I429-V431 PolarHBondContact O-N 3.2Å
430S84.2Confident89.1Confident90 Ų9064.7 Ų64.763%0.62936%0.356SS*.THydrogen-bonded Turntrans6122177.771.80000116.3R427 S428R427-S430 PolarHBondContact O-N 3.49Å; S428-S430 PolarHBondContact O-N 2.85Å
431V87Confident89.3Confident5 Ų558.8 Ų58.83%0.0333%0.33CS..  trans-73.8125.1175.5-173.80000110.4F404 L426 I429 P435 R436F404-V431 HydrophobicContact CD1-CG1 4.11Å; F404-V431 HydrophobicContact CD1-CG2 4.21Å; F404-V431 HydrophobicContact CE1-CG1 3.98Å; L426-V431 HydrophobicContact CB-CB 4.48Å; L426-V431 WeakPolarHBondContact O-CB 3.5Å; L426-V431 PolarHBondContact O-N 2.76Å; L426-V431 VanDerWaalsContact O-N 3.12Å; I429-V431 VanDerWaalsContact C-N 3.27Å; I429-V431 PolarHBondContact O-N 3.2Å; V431-P435 HydrophobicContact CG1-CB 4.08Å; V431-R436 HydrophobicContact CB-CB 4.5Å; V431-R436 HydrophobicContact CG1-CB 3.98Å
432P89.1Confident89.5Confident67 Ų6758 Ų5844%0.43533%0.325SS..  trans-67.6156.2-178.424.3-29.4000112.2F404 G434 P435 R436F404-P432 HydrophobicContact CE1-CG 4.3Å; F404-P432 HydrophobicContact CZ-CG 4.03Å; P432-G434 VanDerWaalsContact C-N 3.26Å; P432-G434 PolarHBondContact O-N 3.45Å; P432-G434 VanDerWaalsContact O-N 3.1Å; P432-P435 HydrophobicContact CG-CG 3.91Å; P432-P435 WeakPolarHBondContact O-CD 3.48Å; P432-R436 WeakPolarHBondContact O-CB 3.31Å; P432-R436 PolarHBondContact O-N 3.4Å
433L87.3Confident89.7Confident94 Ų9455.7 Ų55.749%0.49231%0.309SS..Hα-helixtrans-54.8-35.6-169.5-173.368.2000114.3K437L433-K437 WeakPolarHBondContact O-CG 3.44Å; L433-K437 PolarHBondContact O-N 2.85Å
434G88.9Confident89.8Confident50 Ų5060.5 Ų60.552%0.51532%0.322SS..Hα-helixtrans-67.8-64.9-179.900000112.9P432 R436 K437 K438P432-G434 VanDerWaalsContact C-N 3.26Å; P432-G434 PolarHBondContact O-N 3.45Å; P432-G434 VanDerWaalsContact O-N 3.1Å; G434-R436 PolarHBondContact O-N 2.82Å; G434-K437 PolarHBondContact O-N 2.85Å; G434-K438 PolarHBondContact O-N 3.41Å; G434-K438 VanDerWaalsContact O-N 3.11Å
435P90.2Very high89.8Confident25 Ų2562 Ų6216%0.16232%0.319CS..Hα-helixtrans-53.3-40.2175-31.839.4000113.5M401 F404 V431 P432 K437 K438 I439M401-P435 HydrophobicContact CE-CB 3.84Å; M401-P435 HydrophobicContact CE-CG 3.89Å; M401-P435 HydrophobicContact SD-CB 3.77Å; M401-P435 HydrophobicContact SD-CG 4.02Å; F404-P435 HydrophobicContact CD2-CB 4.35Å; F404-P435 HydrophobicContact CE2-CB 3.61Å; F404-P435 HydrophobicContact CE2-CG 3.79Å; F404-P435 HydrophobicContact CZ-CB 3.74Å; F404-P435 HydrophobicContact CZ-CG 3.76Å; V431-P435 HydrophobicContact CG1-CB 4.08Å; P432-P435 HydrophobicContact CG-CG 3.91Å; P432-P435 WeakPolarHBondContact O-CD 3.48Å; P435-K437 PolarHBondContact O-N 3.1Å; P435-K438 WeakPolarHBondContact O-CB 3.4Å; P435-K438 PolarHBondContact O-N 3.1Å; P435-K438 VanDerWaalsContact O-N 3.12Å; P435-I439 VanDerWaalsContact O-CG1 3.31Å; P435-I439 WeakPolarHBondContact O-CG1 3.2Å; P435-I439 PolarHBondContact O-N 3.37Å
436R91Very high89.9Confident24 Ų2464.1 Ų64.19%0.09132%0.323CS..Hα-helixtrans-56.4-49.4176.8-171.5170.678.7-155.320.1112.8D423 L426 V431 P432 G434 K438 I439 L440D423-R436 WeakPolarHBondContact O-CD 3.47Å; D423-R436 WeakPolarHBondContact OD1-CD 3.49Å; D423-R436 IonicContact OD1-CZ 3.34Å; D423-R436 IonicContact OD1-NE 3.32Å; D423-R436 PolarHBondContact OD1-NE 3.48Å; D423-R436 IonicContact OD1-NH2 3.48Å; D423-R436 PolarHBondContact OD1-NH2 3.34Å; D423-R436 IonicContact OD2-CZ 3.5Å; D423-R436 IonicContact OD2-NE 3.05Å; D423-R436 PolarHBondContact OD2-NE 2.87Å; D423-R436 IonicContact OD2-NH2 2.77Å; D423-R436 PolarHBondContact OD2-NH2 2.89Å; L426-R436 HydrophobicContact CB-CG 3.64Å; L426-R436 HydrophobicContact CD1-CG 3.88Å; L426-R436 HydrophobicContact CG-CG 4.44Å; V431-R436 HydrophobicContact CB-CB 4.5Å; V431-R436 HydrophobicContact CG1-CB 3.98Å; P432-R436 WeakPolarHBondContact O-CB 3.31Å; P432-R436 PolarHBondContact O-N 3.4Å; G434-R436 PolarHBondContact O-N 2.82Å; R436-K438 VanDerWaalsContact C-N 3.32Å; R436-K438 PolarHBondContact O-N 3Å; R436-I439 PolarHBondContact O-N 2.83Å; R436-L440 HydrophobicContact CG-CD1 4.27Å; R436-L440 WeakPolarHBondContact O-CB 3.47Å; R436-L440 WeakPolarHBondContact O-CG 3.26Å; R436-L440 PolarHBondContact O-N 2.71Å
437K92.3Very high89.9Confident132 Ų13269 Ų6957%0.57434%0.341SS*.Hα-helixtrans-65.1-36.2176.5-75-177.2177.5-175.80112.3L433 G434 P435 G441L433-K437 WeakPolarHBondContact O-CG 3.44Å; L433-K437 PolarHBondContact O-N 2.85Å; G434-K437 PolarHBondContact O-N 2.85Å; P435-K437 PolarHBondContact O-N 3.1Å; K437-G441 PolarHBondContact O-N 2.91Å
438K92.8Very high90Very high91 Ų9166.8 Ų66.840%0.39634%0.338SS..Hα-helixtrans-65.4-46.4177.8-161.9-175.5-172-174.50111.4L399 M401 G434 P435 R436 G441 A442L399-K438 WeakPolarHBondContact O-CE 3.5Å; L399-K438 PolarHBondContact O-NZ 3.47Å; M401-K438 HydrophobicContact CE-CB 4.37Å; M401-K438 HydrophobicContact CE-CD 3.43Å; M401-K438 VanDerWaalsContact CE-CD 3.43Å; M401-K438 HydrophobicContact CE-CG 4.5Å; G434-K438 PolarHBondContact O-N 3.41Å; G434-K438 VanDerWaalsContact O-N 3.11Å; P435-K438 WeakPolarHBondContact O-CB 3.4Å; P435-K438 PolarHBondContact O-N 3.1Å; P435-K438 VanDerWaalsContact O-N 3.12Å; R436-K438 VanDerWaalsContact C-N 3.32Å; R436-K438 PolarHBondContact O-N 3Å; K438-G441 PolarHBondContact O-N 2.81Å; K438-A442 WeakPolarHBondContact O-CB 3.46Å; K438-A442 PolarHBondContact O-N 3.07Å
439I91.9Very high90Very high2 Ų264.7 Ų64.71%0.0133%0.326CS..Hα-helixtrans-62.6-51.4177.5-67.8167.1000110.3L396 L418 L426 P435 R436 G441 A442 V443L396-I439 HydrophobicContact CD2-CD1 4.32Å; L396-I439 HydrophobicContact CD2-CG1 4.44Å; L418-I439 HydrophobicContact CD1-CG2 4.06Å; L418-I439 HydrophobicContact CD2-CG2 4.01Å; L418-I439 HydrophobicContact CG-CG2 4.27Å; L426-I439 HydrophobicContact CD1-CG2 4.33Å; P435-I439 VanDerWaalsContact O-CG1 3.31Å; P435-I439 WeakPolarHBondContact O-CG1 3.2Å; P435-I439 PolarHBondContact O-N 3.37Å; R436-I439 PolarHBondContact O-N 2.83Å; I439-G441 VanDerWaalsContact C-N 3.29Å; I439-G441 PolarHBondContact O-N 3.26Å; I439-A442 PolarHBondContact O-N 3.43Å; I439-A442 VanDerWaalsContact O-N 3.12Å; I439-V443 HydrophobicContact CG2-CG2 4.36Å; I439-V443 WeakPolarHBondContact O-CG2 3.47Å; I439-V443 PolarHBondContact O-N 3.19Å
440L91.6Very high90Very high23 Ų2370.1 Ų70.112%0.1235%0.353CS..Hα-helixtrans-61.3-37.1178.1-70.2173.3000112.6D423 L426 R436 R444D423-L440 HydrophobicContact CB-CD1 3.85Å; L426-L440 HydrophobicContact CD1-CD1 4.23Å; L426-L440 HydrophobicContact CD1-CD2 3.75Å; L426-L440 HydrophobicContact CD1-CG 3.71Å; R436-L440 HydrophobicContact CG-CD1 4.27Å; R436-L440 WeakPolarHBondContact O-CB 3.47Å; R436-L440 WeakPolarHBondContact O-CG 3.26Å; R436-L440 PolarHBondContact O-N 2.71Å; L440-R444 VanDerWaalsContact O-CG 3.32Å; L440-R444 WeakPolarHBondContact O-CG 3.36Å; L440-R444 PolarHBondContact O-N 2.98Å
441G93.3Very high90.1Very high22 Ų2272.4 Ų72.423%0.22735%0.353CS..Hα-helixtrans-64.5-41174.600000112.7K437 K438 I439 R444 R445K437-G441 PolarHBondContact O-N 2.91Å; K438-G441 PolarHBondContact O-N 2.81Å; I439-G441 VanDerWaalsContact C-N 3.29Å; I439-G441 PolarHBondContact O-N 3.26Å; G441-R444 PolarHBondContact O-N 3.23Å; G441-R445 PolarHBondContact O-N 3.05Å; G441-R445 VanDerWaalsContact O-N 3.13Å
442A93.2Very high90.1Very high5 Ų582.2 Ų82.24%0.04139%0.39CS..Hα-helixtrans-69.1-42.1176.200000112.6F395 L399 K438 I439 R444 R445 R446F395-A442 HydrophobicContact CE2-CB 4.31Å; F395-A442 HydrophobicContact CZ-CB 3.8Å; L399-A442 HydrophobicContact CD1-CB 3.48Å; L399-A442 VanDerWaalsContact CD1-CB 3.48Å; L399-A442 HydrophobicContact CD2-CB 3.47Å; L399-A442 VanDerWaalsContact CD2-CB 3.47Å; L399-A442 HydrophobicContact CG-CB 4.1Å; K438-A442 WeakPolarHBondContact O-CB 3.46Å; K438-A442 PolarHBondContact O-N 3.07Å; I439-A442 PolarHBondContact O-N 3.43Å; I439-A442 VanDerWaalsContact O-N 3.12Å; A442-R444 VanDerWaalsContact C-N 3.3Å; A442-R444 PolarHBondContact O-N 3.03Å; A442-R445 PolarHBondContact O-N 3.1Å; A442-R446 WeakPolarHBondContact O-CB 3.48Å; A442-R446 PolarHBondContact O-N 2.99Å
443V93.1Very high89.7Confident4 Ų483.9 Ų83.92%0.02440%0.401CS..Hα-helixtrans-57.5-43.9173.71640000110.8F395 L418 M419 I439 R446 R447F395-V443 HydrophobicContact CE1-CG2 4.16Å; F395-V443 HydrophobicContact CZ-CG2 4.04Å; L418-V443 HydrophobicContact CG-CG2 4.3Å; M419-V443 HydrophobicContact CB-CG1 4.3Å; M419-V443 HydrophobicContact CG-CG1 4.2Å; I439-V443 HydrophobicContact CG2-CG2 4.36Å; I439-V443 WeakPolarHBondContact O-CG2 3.47Å; I439-V443 PolarHBondContact O-N 3.19Å; V443-R446 PolarHBondContact O-N 2.94Å; V443-R447 WeakPolarHBondContact O-CB 3.38Å; V443-R447 PolarHBondContact O-N 3.33Å
444R91.9Very high89.1Confident169 Ų16984.6 Ų84.664%0.63841%0.411SS*.Hα-helixtrans-62.1-44.9175.8-75.2175.6-173178.32.2112.4L440 G441 A442 R447 Q448L440-R444 VanDerWaalsContact O-CG 3.32Å; L440-R444 WeakPolarHBondContact O-CG 3.36Å; L440-R444 PolarHBondContact O-N 2.98Å; G441-R444 PolarHBondContact O-N 3.23Å; A442-R444 VanDerWaalsContact C-N 3.3Å; A442-R444 PolarHBondContact O-N 3.03Å; R444-R447 PolarHBondContact O-N 3.08Å; R444-Q448 WeakPolarHBondContact O-CB 3.21Å; R444-Q448 VanDerWaalsContact O-CG 3.31Å; R444-Q448 WeakPolarHBondContact O-CG 3.41Å; R444-Q448 PolarHBondContact O-N 3.49Å
445R90.1Very high88.5Confident149 Ų14985.9 Ų85.956%0.56242%0.417SS*.Hα-helixtrans-61.8-44.9176.4-74.2-169.9-64.3-90.31.6111.9G441 A442 Q448 A449G441-R445 PolarHBondContact O-N 3.05Å; G441-R445 VanDerWaalsContact O-N 3.13Å; A442-R445 PolarHBondContact O-N 3.1Å; R445-Q448 PolarHBondContact O-N 3.09Å; R445-A449 PolarHBondContact O-N 3.47Å
446R91.2Very high87.7Confident112 Ų11293.3 Ų93.342%0.42345%0.454SS..Hα-helixtrans-61.3-45176.8-174.6176.5-179.182.5-0.1111.5A442 V443 Q448 A449 M450A442-R446 WeakPolarHBondContact O-CB 3.48Å; A442-R446 PolarHBondContact O-N 2.99Å; V443-R446 PolarHBondContact O-N 2.94Å; R446-Q448 PolarHBondContact O-N 3.37Å; R446-A449 PolarHBondContact O-N 3.17Å; R446-M450 WeakPolarHBondContact O-CG 3.48Å; R446-M450 PolarHBondContact O-N 3.23Å
447R89.5Confident86.8Confident101 Ų101100.1 Ų100.138%0.38149%0.487SS..Hα-helixtrans-60.4-44.6176.1-168.4-172.4-58.3-172.52.7111.8M419 V443 R444 A449 M450 E451M419-R447 HydrophobicContact CE-CB 4.38Å; M419-R447 PolarHBondContact O-NH2 2.99Å; V443-R447 WeakPolarHBondContact O-CB 3.38Å; V443-R447 PolarHBondContact O-N 3.33Å; R444-R447 PolarHBondContact O-N 3.08Å; R447-A449 VanDerWaalsContact C-N 3.33Å; R447-A449 PolarHBondContact O-N 3.38Å; R447-M450 PolarHBondContact O-N 3.44Å; R447-E451 WeakPolarHBondContact O-CG 3.43Å; R447-E451 PolarHBondContact O-N 3.05Å
448Q89.4Confident85.7Confident123 Ų123101.5 Ų101.558%0.57550%0.501SS*.Hα-helixtrans-61.8-39.4176.3-74.7173.5-5.300112.4R444 R445 R446 M450 E451 R452R444-Q448 WeakPolarHBondContact O-CB 3.21Å; R444-Q448 VanDerWaalsContact O-CG 3.31Å; R444-Q448 WeakPolarHBondContact O-CG 3.41Å; R444-Q448 PolarHBondContact O-N 3.49Å; R445-Q448 PolarHBondContact O-N 3.09Å; R446-Q448 PolarHBondContact O-N 3.37Å; Q448-M450 VanDerWaalsContact C-N 3.32Å; Q448-M450 PolarHBondContact O-N 3.42Å; Q448-E451 PolarHBondContact O-N 3.17Å; Q448-R452 PolarHBondContact O-N 2.88Å
449A87.1Confident84.7Confident52 Ų52102.8 Ų102.843%0.4352%0.516SS..Hα-helixtrans-67.1-31.5175.600000112.8R445 R446 R447 R452 P453R445-A449 PolarHBondContact O-N 3.47Å; R446-A449 PolarHBondContact O-N 3.17Å; R447-A449 VanDerWaalsContact C-N 3.33Å; R447-A449 PolarHBondContact O-N 3.38Å; A449-R452 CarbonylContact O-C 3.51Å; A449-R452 VanDerWaalsContact O-C 3.27Å; A449-P453 WeakPolarHBondContact O-CA 3.41Å
450M85.2Confident83.3Confident132 Ų132112.1 Ų112.165%0.6556%0.56SS**Hα-helixtrans-73.6-36172.6-69.1-173.771.100112.6M419 R446 R447 Q448M419-M450 HydrophobicContact CE-SD 3.92Å; R446-M450 WeakPolarHBondContact O-CG 3.48Å; R446-M450 PolarHBondContact O-N 3.23Å; R447-M450 PolarHBondContact O-N 3.44Å; Q448-M450 VanDerWaalsContact C-N 3.32Å; Q448-M450 PolarHBondContact O-N 3.42Å
451E86.8Confident81.5Confident138 Ų138121.7 Ų121.765%0.64561%0.61SS**Hα-helixtrans-74.5-31176.8-73.1174.7-171.500112.6R447 Q448R447-E451 WeakPolarHBondContact O-CG 3.43Å; R447-E451 PolarHBondContact O-N 3.05Å; Q448-E451 PolarHBondContact O-N 3.17Å
452R85.6Confident80.9Confident212 Ų212126.7 Ų126.780%0.863%0.629SS**SBendtrans-137.389.5177-69.4-175.6-178.81670.3109.5Q448 A449Q448-R452 PolarHBondContact O-N 2.88Å; A449-R452 CarbonylContact O-C 3.51Å; A449-R452 VanDerWaalsContact O-C 3.27Å
453P81.1Confident80.2Confident102 Ų102133.1 Ų133.166%0.66266%0.66SS**PPolyproline II helixtrans-60.9131.7174.625.3-32.5000108.8A449A449-P453 WeakPolarHBondContact O-CA 3.41Å
454P75.5Confident79.5Confident108 Ų108140.3 Ų140.370%0.70170%0.696SS**PPolyproline II helixtrans-60.8144174.925.8-32.4000109.6L456P454-L456 PolarHBondContact O-N 3.49Å
455A75.4Confident78.8Confident78 Ų78138.6 Ų138.665%0.64570%0.699SS**PPolyproline II helixtrans-59.8131.4172.300000108.6E457A455-E457 PolarHBondContact O-N 2.98Å
456L74.6Confident78.1Confident181 Ų181137.9 Ų137.995%0.94871%0.708SS**  trans-69.9102170.5-74162.1000106.6P454P454-L456 PolarHBondContact O-N 3.49Å
457E71.4Confident77.2Confident167 Ų167139.7 Ų139.778%0.7873%0.727SS**  trans-98.9124.8170.6-67.8-178.7175.700107.1A455 T459A455-E457 PolarHBondContact O-N 2.98Å; E457-T459 PolarHBondContact O-N 3.3Å; E457-T459 VanDerWaalsContact O-N 3.16Å
458D70Confident76.3Confident160 Ų160142.4 Ų142.486%0.85675%0.751SS**  trans-60.8118.7171.6-76.2-28.3000107.7E460D458-E460 PolarHBondContact O-N 3.4Å
459T70.1Confident75.3Confident118 Ų118143.9 Ų143.972%0.72477%0.765SS**  trans-68.6105.1173.343.60000108.2E457 L461E457-T459 PolarHBondContact O-N 3.3Å; E457-T459 VanDerWaalsContact O-N 3.16Å; T459-L461 VanDerWaalsContact C-N 3.34Å; T459-L461 PolarHBondContact O-N 3.41Å
460E63.1Low74.3Confident198 Ų198151.6 Ų151.693%0.92579%0.793SS**  trans-65.697.1163.3-65.1-172.2179.800107.7D458D458-E460 PolarHBondContact O-N 3.4Å
461L53.4Low73.4Confident225 Ų225153.4 Ų153.4100%1.17881%0.806SS**  trans-97.60174-84.4168.1000111.1T459T459-L461 VanDerWaalsContact C-N 3.34Å; T459-L461 PolarHBondContact O-N 3.41Å

Retrieved 461 of 461 residues in 338 ms (Link to these results)

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