A0A5K4FBB5_SCHMA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A5K4FBB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 717 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M54.2Low68.7Low170 Ų17084 Ų8484%0.83745%0.447SS*.  0-37.30-77-155.689.100112.5D3M1-D3 PolarHBondContact O-N 2.81Å
2L56.2Low69.7Low40 Ų4079 Ų7921%0.20942%0.42CS..  trans-68.6122151.9-76.2168.1000107.2H6 L13 V18 Y31L2-H6 HydrophobicContact CB-CB 4.21Å; L2-H6 HydrophobicContact CD2-CB 3.94Å; L2-H6 HydrophobicContact CG-CB 4.48Å; L2-L13 HydrophobicContact CD1-CD1 3.07Å; L2-V18 HydrophobicContact CD1-CG2 3.63Å; L2-V18 HydrophobicContact CG-CG1 4.46Å; L2-V18 HydrophobicContact CG-CG2 4.03Å; L2-Y31 HydrophobicContact CD2-CD1 4.29Å; L2-Y31 HydrophobicContact CD2-CE1 3.77Å; L2-Y31 HydrophobicContact CD2-CE2 4.07Å
3D54.6Low70.9Confident116 Ų11674.3 Ų74.362%0.6240%0.395SS*.  trans-55.9163.7175.6-83.7-35.8000110.8M1 D5 H6M1-D3 PolarHBondContact O-N 2.81Å; D3-D5 HydrophobicContact CB-CB 4.27Å; D3-D5 PolarHBondContact O-N 3.04Å; D3-H6 PolarHBondContact O-N 2.82Å
4Q58.3Low72.2Confident157 Ų15777.9 Ų77.973%0.73441%0.414SS*.G310 helixtrans-53.6-8.1169.1-68-174.1-5.700113.2N7 K86Q4-N7 PolarHBondContact O-ND2 3.11Å; Q4-K86 PolarHBondContact O-NZ 3.02Å
5D59.4Low73.3Confident76 Ų7680.9 Ų80.941%0.40643%0.425SS..G310 helixtrans-79.2-16.1176.9-65.1-24.4000114.5D3 H8 N84 K86D3-D5 HydrophobicContact CB-CB 4.27Å; D3-D5 PolarHBondContact O-N 3.04Å; D5-H8 PolarHBondContact O-CE1 3.03Å; D5-H8 PolarHBondContact O-ND1 3.3Å; D5-N84 PolarHBondContact O-ND2 3.49Å; D5-K86 IonicContact OD1-NZ 2.86Å; D5-K86 PolarHBondContact OD1-NZ 3.38Å
6H71.3Confident74.4Confident35 Ų3576.4 Ų76.416%0.16240%0.401CS..G310 helixtrans-109.126.5-179.2-65.4-67.9000114.8L2 D3 H8 M9L2-H6 HydrophobicContact CB-CB 4.21Å; L2-H6 HydrophobicContact CD2-CB 3.94Å; L2-H6 HydrophobicContact CG-CB 4.48Å; D3-H6 PolarHBondContact O-N 2.82Å; H6-H8 AromaticContact ND1-CE1 3.32Å; H6-H8 PolarHBondContact ND1-CE1 2.78Å; H6-H8 VanDerWaalsContact ND1-CE1 3.32Å; H6-H8 AromaticContact ND1-NE2 3.49Å; H6-H8 PolarHBondContact ND1-NE2 3.38Å; H6-H8 PolarHBondContact O-N 3.43Å; H6-M9 HydrophobicContact CB-CG 4.47Å; H6-M9 WeakPolarHBondContact O-CB 3.44Å; H6-M9 PolarHBondContact O-N 3.22Å
7N74.7Confident75.4Confident83 Ų8375.9 Ų75.944%0.44440%0.396SS..G310 helixtrans-55.1-26.2176.8-84.6-33.5000113.8Q4 M9 K10Q4-N7 PolarHBondContact O-ND2 3.11Å; N7-M9 PolarHBondContact O-N 3.12Å; N7-K10 WeakPolarHBondContact O-CB 3.48Å; N7-K10 WeakPolarHBondContact O-CG 3.37Å; N7-K10 PolarHBondContact O-N 3.32Å; N7-K10 WeakPolarHBondContact OD1-CE 3.12Å; N7-K10 PolarHBondContact OD1-NZ 3Å
8H78.8Confident76.3Confident34 Ų3473.3 Ų73.316%0.15738%0.384CS..G310 helixtrans-62.9-18.2174.757.1-93000113.7D5 H6 S82 M83 Y91D5-H8 PolarHBondContact O-CE1 3.03Å; D5-H8 PolarHBondContact O-ND1 3.3Å; H6-H8 AromaticContact ND1-CE1 3.32Å; H6-H8 PolarHBondContact ND1-CE1 2.78Å; H6-H8 VanDerWaalsContact ND1-CE1 3.32Å; H6-H8 AromaticContact ND1-NE2 3.49Å; H6-H8 PolarHBondContact ND1-NE2 3.38Å; H6-H8 PolarHBondContact O-N 3.43Å; H8-S82 PolarHBondContact CD2-OG 2.85Å; H8-M83 WeakPolarHBondContact CB-O 3.3Å; H8-Y91 AromaticContact NE2-CD2 3.87Å
9M84.5Confident77.1Confident1 Ų172.1 Ų72.11%0.00538%0.379CS..G310 helixtrans-89.2-3177.4-65-60.1-68.500113.9H6 N7 G11 I12 L13 L44 M46 S82 S93H6-M9 HydrophobicContact CB-CG 4.47Å; H6-M9 WeakPolarHBondContact O-CB 3.44Å; H6-M9 PolarHBondContact O-N 3.22Å; N7-M9 PolarHBondContact O-N 3.12Å; M9-G11 VanDerWaalsContact C-N 3.35Å; M9-G11 PolarHBondContact O-N 3.06Å; M9-I12 HydrophobicContact CE-CB 4.09Å; M9-I12 HydrophobicContact CE-CD1 3.57Å; M9-I12 HydrophobicContact CE-CG1 4.44Å; M9-I12 HydrophobicContact CE-CG2 3.89Å; M9-I12 PolarHBondContact O-N 3.37Å; M9-I12 VanDerWaalsContact O-N 3.11Å; M9-I12 HydrophobicContact SD-CD1 3.57Å; M9-I12 VanDerWaalsContact SD-CD1 3.57Å; M9-L13 HydrophobicContact CB-CD1 3.82Å; M9-L13 HydrophobicContact CB-CG 4.36Å; M9-L13 WeakPolarHBondContact O-CG 3.15Å; M9-L13 PolarHBondContact O-N 3.25Å; M9-L44 HydrophobicContact CE-CD1 4.11Å; M9-L44 HydrophobicContact CE-CD2 4.16Å; M9-M46 HydrophobicContact CE-CE 4.39Å; M9-M46 HydrophobicContact CE-SD 4.43Å; M9-M46 HydrophobicContact CG-CE 3.62Å; M9-M46 HydrophobicContact CG-SD 4.18Å; M9-M46 HydrophobicContact SD-CE 3.82Å; M9-S82 PolarHBondContact SD-OG 2.88Å; M9-S93 WeakPolarHBondContact CE-OG 3.49Å
10K82.2Confident77.9Confident142 Ų14272.5 Ų72.562%0.61738%0.379SS*.THydrogen-bonded Turntrans-55.3-44.8-173.1-85.8-178.3173.6175.30113.6N7 I12 L13 D14N7-K10 WeakPolarHBondContact O-CB 3.48Å; N7-K10 WeakPolarHBondContact O-CG 3.37Å; N7-K10 PolarHBondContact O-N 3.32Å; N7-K10 WeakPolarHBondContact OD1-CE 3.12Å; N7-K10 PolarHBondContact OD1-NZ 3Å; K10-I12 VanDerWaalsContact C-N 3.34Å; K10-I12 PolarHBondContact O-N 3.28Å; K10-L13 PolarHBondContact O-N 3.28Å; K10-D14 PolarHBondContact O-N 3.25Å
11G81.3Confident78.5Confident70 Ų7072.3 Ų72.372%0.72238%0.383SS*.THydrogen-bonded Turntrans-65.6-36.2179.500000113.1M9 L13M9-G11 VanDerWaalsContact C-N 3.35Å; M9-G11 PolarHBondContact O-N 3.06Å; G11-L13 VanDerWaalsContact C-N 3.31Å
12I80.5Confident80.1Confident24 Ų2467.8 Ų67.812%0.12336%0.362CS..THydrogen-bonded Turntrans-69.3-34178.3-62.7161.8000110.8M9 K10 H80 I95M9-I12 HydrophobicContact CE-CB 4.09Å; M9-I12 HydrophobicContact CE-CD1 3.57Å; M9-I12 HydrophobicContact CE-CG1 4.44Å; M9-I12 HydrophobicContact CE-CG2 3.89Å; M9-I12 PolarHBondContact O-N 3.37Å; M9-I12 VanDerWaalsContact O-N 3.11Å; M9-I12 HydrophobicContact SD-CD1 3.57Å; M9-I12 VanDerWaalsContact SD-CD1 3.57Å; K10-I12 VanDerWaalsContact C-N 3.34Å; K10-I12 PolarHBondContact O-N 3.28Å; I12-H80 HydrophobicContact CD1-CB 3.45Å; I12-H80 VanDerWaalsContact CD1-CB 3.45Å; I12-H80 HydrophobicContact CG1-CB 3.87Å; I12-H80 HydrophobicContact CG2-CB 4.33Å; I12-H80 VanDerWaalsContact CG2-CD2 3.41Å; I12-H80 WeakPolarHBondContact CG2-CD2 3.47Å; I12-I95 HydrophobicContact CG2-CD1 4.23Å
13L85.9Confident81.3Confident18 Ų1867.5 Ų67.59%0.09437%0.368CS..THydrogen-bonded Turntrans-97.37.4-174.3-66.1173.4000114.1L2 M9 K10 G11 Q15 Y16 V18 L33 L44L2-L13 HydrophobicContact CD1-CD1 3.07Å; M9-L13 HydrophobicContact CB-CD1 3.82Å; M9-L13 HydrophobicContact CB-CG 4.36Å; M9-L13 WeakPolarHBondContact O-CG 3.15Å; M9-L13 PolarHBondContact O-N 3.25Å; K10-L13 PolarHBondContact O-N 3.28Å; G11-L13 VanDerWaalsContact C-N 3.31Å; L13-Q15 PolarHBondContact O-N 2.68Å; L13-Y16 CarbonylContact O-C 3.57Å; L13-Y16 PolarHBondContact O-N 3.01Å; L13-V18 HydrophobicContact CD1-CG2 4.03Å; L13-V18 HydrophobicContact CD2-CG2 4.46Å; L13-L33 HydrophobicContact CD2-CD1 3.88Å; L13-L33 HydrophobicContact CD2-CD2 3.82Å; L13-L44 HydrophobicContact CD2-CD2 4.23Å
14D88.1Confident82.4Confident125 Ų12568 Ų6867%0.66837%0.365SS*.THydrogen-bonded Turntrans-57-42-177.1-167.847.9000111.7K10 Y16 R36K10-D14 PolarHBondContact O-N 3.25Å; D14-Y16 VanDerWaalsContact C-N 3.26Å; D14-Y16 PolarHBondContact O-N 3.02Å; D14-R36 WeakPolarHBondContact O-CD 3.29Å; D14-R36 PolarHBondContact O-NE 3.2Å; D14-R36 VanDerWaalsContact O-NE 3.16Å
15Q89.1Confident82.8Confident123 Ų12361.9 Ų61.958%0.57534%0.344SS*.THydrogen-bonded Turntrans-80.4-4.3178.5-58.2-178.913.200113.9L13 R36L13-Q15 PolarHBondContact O-N 2.68Å; Q15-R36 WeakPolarHBondContact O-CG 3.48Å; Q15-R36 PolarHBondContact O-N 3.26Å
16Y91.6Very high82.9Confident9 Ų960.9 Ų60.94%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-123.9151.8-170.2-62.2-79.3000112.3L13 D14 L33 R34 R35 R36 F42 E78 I95L13-Y16 CarbonylContact O-C 3.57Å; L13-Y16 PolarHBondContact O-N 3.01Å; D14-Y16 VanDerWaalsContact C-N 3.26Å; D14-Y16 PolarHBondContact O-N 3.02Å; Y16-L33 HydrophobicContact CD1-CB 4.03Å; Y16-L33 HydrophobicContact CD1-CD1 4.02Å; Y16-L33 HydrophobicContact CD2-CD1 4.36Å; Y16-L33 HydrophobicContact CG-CB 4.44Å; Y16-L33 HydrophobicContact CG-CD1 3.9Å; Y16-R34 CarbonylContact C-O 3.59Å; Y16-R34 WeakPolarHBondContact CA-O 3.28Å; Y16-R35 HydrophobicContact CD1-CB 4Å; Y16-R35 HydrophobicContact CD1-CG 3.97Å; Y16-R35 HydrophobicContact CE1-CB 3.9Å; Y16-R35 HydrophobicContact CE1-CG 3.63Å; Y16-R36 PolarHBondContact O-NE 3.07Å; Y16-R36 PolarHBondContact O-NH2 3.32Å; Y16-F42 HydrophobicContact CD1-CD2 4.33Å; Y16-F42 HydrophobicContact CE1-CB 4.49Å; Y16-F42 AromaticContact CE1-CD2 3.74Å; Y16-F42 HydrophobicContact CE1-CD2 3.74Å; Y16-F42 HydrophobicContact CE1-CE2 4.21Å; Y16-F42 HydrophobicContact CE1-CG 4.08Å; Y16-E78 PolarHBondContact OH-OE1 3.15Å; Y16-I95 HydrophobicContact CD2-CD1 4.37Å; Y16-I95 HydrophobicContact CE2-CD1 3.92Å
17E91.3Very high82.6Confident68 Ų6859.7 Ų59.732%0.31834%0.337SS..EExtended strand (participates in β ladder)trans-112.1128.9166.5-178.7-176.2168.400108.7V19 L33 R34E17-V19 PolarHBondContact O-N 3.06Å; E17-L33 CarbonylContact O-C 3.59Å; E17-L33 VanDerWaalsContact O-CA 3.31Å; E17-L33 WeakPolarHBondContact O-CA 3.36Å; E17-R34 HydrophobicContact CB-CB 4.48Å; E17-R34 VanDerWaalsContact CD-NH2 3.34Å; E17-R34 PolarHBondContact N-O 3.24Å; E17-R34 PolarHBondContact O-N 2.8Å; E17-R34 IonicContact OE1-NH2 3.49Å; E17-R34 PolarHBondContact OE1-NH2 2.97Å; E17-R34 IonicContact OE2-CZ 2.64Å; E17-R34 VanDerWaalsContact OE2-CZ 3.29Å; E17-R34 IonicContact OE2-NE 3.29Å; E17-R34 PolarHBondContact OE2-NE 2.9Å; E17-R34 IonicContact OE2-NH2 3.35Å; E17-R34 PolarHBondContact OE2-NH2 3.48Å
18V91.5Very high82.8Confident29 Ų2956.1 Ų56.118%0.17632%0.32CS..EExtended strand (participates in β ladder)trans-80.1112.7174.7-178.40000108.6L2 L13 Y31 L33L2-V18 HydrophobicContact CD1-CG2 3.63Å; L2-V18 HydrophobicContact CG-CG1 4.46Å; L2-V18 HydrophobicContact CG-CG2 4.03Å; L13-V18 HydrophobicContact CD1-CG2 4.03Å; L13-V18 HydrophobicContact CD2-CG2 4.46Å; V18-Y31 HydrophobicContact CG1-CD1 3.98Å; V18-Y31 HydrophobicContact CG1-CG 4.45Å; V18-L33 HydrophobicContact CB-CD2 4.34Å; V18-L33 HydrophobicContact CG2-CD2 3.71Å
19V91.2Very high83.2Confident50 Ų5055.6 Ų55.630%0.30332%0.319SS..EExtended strand (participates in β ladder)trans-84.2-52.1-175.5-178.70000110.9E17 K32 R34 Y41E17-V19 PolarHBondContact O-N 3.06Å; V19-K32 HydrophobicContact CB-CB 4.36Å; V19-K32 HydrophobicContact CB-CG 4.33Å; V19-K32 HydrophobicContact CG1-CD 4.49Å; V19-K32 PolarHBondContact N-O 2.69Å; V19-R34 HydrophobicContact CG2-CB 3.64Å; V19-Y41 HydrophobicContact CG2-CE1 4.2Å
20E92.4Very high83.5Confident80 Ų8056.3 Ų56.337%0.37432%0.324SS..EExtended strand (participates in β ladder)trans-156.5157.3-17861.5-175.9166.700111.9L22 Y31 K32E20-L22 HydrophobicContact CG-CD2 4.1Å; E20-Y31 WeakPolarHBondContact O-CA 3.47Å; E20-K32 HydrophobicContact CG-CB 3.71Å; E20-K32 HydrophobicContact CG-CD 4.03Å; E20-K32 PolarHBondContact O-N 3.37Å; E20-K32 VanDerWaalsContact OE1-CD 3.23Å; E20-K32 WeakPolarHBondContact OE1-CD 3.47Å; E20-K32 IonicContact OE1-NZ 2.73Å
21C91.2Very high84Confident68 Ų6850.6 Ų50.646%0.45930%0.299SS..EExtended strand (participates in β ladder)trans-84.2116.7167.8-176.30000108.7G23 Y31C21-G23 VanDerWaalsContact C-N 3.33Å; C21-Y31 HydrophobicContact CB-CD1 4.11Å; C21-Y31 HydrophobicContact CB-CE1 4.08Å
22L87.8Confident84.7Confident76 Ų7648.7 Ų48.740%0.39827%0.271SS..EExtended strand (participates in β ladder)trans-78.4-21.3-179.8-64.6174000112.1E20 S30 K32 V43E20-L22 HydrophobicContact CG-CD2 4.1Å; L22-S30 PolarHBondContact N-O 3.48Å; L22-K32 HydrophobicContact CD1-CB 4.09Å; L22-K32 HydrophobicContact CD2-CB 4.05Å; L22-K32 HydrophobicContact CG-CB 4.01Å; L22-V43 HydrophobicContact CD1-CG1 4.19Å; L22-V43 HydrophobicContact CD1-CG2 3.94Å
23G82.6Confident85.3Confident33 Ų3347.5 Ų47.534%0.3427%0.265SS..EExtended strand (participates in β ladder)trans144.3163.4174.300000113.6C21 S30C21-G23 VanDerWaalsContact C-N 3.33Å; G23-S30 PolarHBondContact N-O 2.88Å; G23-S30 PolarHBondContact O-N 3.4Å
24K76.4Confident85.8Confident127 Ų12750.4 Ų50.455%0.55228%0.275SS*.EExtended strand (participates in β ladder)trans-109.7122.5174.5-177.1172-175172.90109.4T29 R210K24-T29 HydrophobicContact CB-CG2 4.32Å; K24-R210 PolarHBondContact O-NH1 3.26Å; K24-R210 PolarHBondContact O-NH2 3.09Å
25G66.4Low86Confident29 Ų2947.4 Ų47.430%0.29925%0.254SS..  trans-110.7-170.6176.300000113Q27 G28G25-Q27 VanDerWaalsContact C-N 3.3Å; G25-Q27 PolarHBondContact O-N 3.46Å; G25-G28 PolarHBondContact N-O 2.95Å; G25-G28 PolarHBondContact O-N 3.42Å
26C61.9Low86Confident55 Ų5548.6 Ų48.637%0.37225%0.253SS..SBendtrans-64.6-35.1175.554.90000112.5
27Q66Low85.9Confident9 Ų953.6 Ų53.64%0.04228%0.281CS..SBendtrans-79-17.3-179.6-68.4166-4.600113.3G25 I47 W164 A172G25-Q27 VanDerWaalsContact C-N 3.3Å; G25-Q27 PolarHBondContact O-N 3.46Å; Q27-I47 VanDerWaalsContact O-CA 3.29Å; Q27-I47 WeakPolarHBondContact O-CA 3.21Å; Q27-I47 WeakPolarHBondContact O-CB 3.38Å; Q27-I47 WeakPolarHBondContact O-CG1 3.31Å; Q27-I47 WeakPolarHBondContact O-CG2 3.43Å; Q27-W164 VanDerWaalsContact CD-NE1 3.32Å; Q27-A172 HydrophobicContact CG-CB 3.57Å
28G78.7Confident85.7Confident9 Ų953.1 Ų53.19%0.09328%0.28CS..  trans140.2-166.7-174.200000114.5G25 M46G25-G28 PolarHBondContact N-O 2.95Å; G25-G28 PolarHBondContact O-N 3.42Å; G28-M46 CarbonylContact C-O 3.51Å; G28-M46 WeakPolarHBondContact CA-O 3.46Å
29T86.4Confident85.4Confident22 Ų2256.7 Ų56.714%0.13530%0.298CS..EExtended strand (participates in β ladder)trans-107133.8-174.6-49.10000111.5K24 Y31 M46K24-T29 HydrophobicContact CB-CG2 4.32Å; T29-Y31 HydrophobicContact CG2-CD2 4.3Å; T29-Y31 HydrophobicContact CG2-CE1 4.24Å; T29-Y31 HydrophobicContact CG2-CE2 3.53Å; T29-Y31 VanDerWaalsContact CG2-CZ 3.5Å; T29-Y31 WeakPolarHBondContact CG2-OH 3.49Å; T29-M46 PolarHBondContact N-O 3.5Å; T29-M46 PolarHBondContact O-N 3.33Å
30S91.1Very high85.5Confident17 Ų1759.3 Ų59.312%0.11931%0.307CS..EExtended strand (participates in β ladder)trans-103.2136.5176.4-63.20000111.4L22 G23 L44 K45L22-S30 PolarHBondContact N-O 3.48Å; G23-S30 PolarHBondContact N-O 2.88Å; G23-S30 PolarHBondContact O-N 3.4Å; S30-L44 CarbonylContact C-O 3.55Å; S30-L44 VanDerWaalsContact CA-O 3.24Å; S30-L44 WeakPolarHBondContact CA-O 3.39Å; S30-K45 WeakPolarHBondContact OG-CD 3.41Å
31Y93.2Very high85.6Confident21 Ų2160.3 Ų60.38%0.08231%0.308CS..EExtended strand (participates in β ladder)trans-126.5141.1175.7-59.4-90.5000110.3L2 V18 E20 C21 T29 V43 L44 M46L2-Y31 HydrophobicContact CD2-CD1 4.29Å; L2-Y31 HydrophobicContact CD2-CE1 3.77Å; L2-Y31 HydrophobicContact CD2-CE2 4.07Å; V18-Y31 HydrophobicContact CG1-CD1 3.98Å; V18-Y31 HydrophobicContact CG1-CG 4.45Å; E20-Y31 WeakPolarHBondContact O-CA 3.47Å; C21-Y31 HydrophobicContact CB-CD1 4.11Å; C21-Y31 HydrophobicContact CB-CE1 4.08Å; T29-Y31 HydrophobicContact CG2-CD2 4.3Å; T29-Y31 HydrophobicContact CG2-CE1 4.24Å; T29-Y31 HydrophobicContact CG2-CE2 3.53Å; T29-Y31 VanDerWaalsContact CG2-CZ 3.5Å; T29-Y31 WeakPolarHBondContact CG2-OH 3.49Å; Y31-V43 WeakPolarHBondContact O-CA 3.41Å; Y31-L44 HydrophobicContact CD2-CD2 4.07Å; Y31-L44 HydrophobicContact CD2-CG 4.47Å; Y31-L44 PolarHBondContact N-O 2.99Å; Y31-L44 PolarHBondContact O-N 3.23Å; Y31-M46 HydrophobicContact CD2-CG 4.45Å; Y31-M46 HydrophobicContact CD2-SD 4.27Å; Y31-M46 HydrophobicContact CE2-CG 4.26Å; Y31-M46 HydrophobicContact CE2-SD 3.75Å
32K94.9Very high85.8Confident30 Ų3057.3 Ų57.313%0.1329%0.287CS..EExtended strand (participates in β ladder)trans-82.9127.1168.1-171.5174.2-178.2171.10108.8V19 E20 L22 Y41 Y98V19-K32 HydrophobicContact CB-CB 4.36Å; V19-K32 HydrophobicContact CB-CG 4.33Å; V19-K32 HydrophobicContact CG1-CD 4.49Å; V19-K32 PolarHBondContact N-O 2.69Å; E20-K32 HydrophobicContact CG-CB 3.71Å; E20-K32 HydrophobicContact CG-CD 4.03Å; E20-K32 PolarHBondContact O-N 3.37Å; E20-K32 VanDerWaalsContact OE1-CD 3.23Å; E20-K32 WeakPolarHBondContact OE1-CD 3.47Å; E20-K32 IonicContact OE1-NZ 2.73Å; L22-K32 HydrophobicContact CD1-CB 4.09Å; L22-K32 HydrophobicContact CD2-CB 4.05Å; L22-K32 HydrophobicContact CG-CB 4.01Å; K32-Y41 HydrophobicContact CD-CD1 4.43Å; K32-Y41 HydrophobicContact CG-CD1 4.3Å; K32-Y98 HydrophobicContact CD-CD2 4.26Å; K32-Y98 HydrophobicContact CD-CE2 3.9Å; K32-Y98 HydrophobicContact CG-CD2 4.13Å; K32-Y98 HydrophobicContact CG-CE2 4.23Å
33L94.9Very high86.2Confident0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-109149.9176.5-57.4-174000110L13 Y16 E17 V18 Y41 F42 L44 I95L13-L33 HydrophobicContact CD2-CD1 3.88Å; L13-L33 HydrophobicContact CD2-CD2 3.82Å; Y16-L33 HydrophobicContact CD1-CB 4.03Å; Y16-L33 HydrophobicContact CD1-CD1 4.02Å; Y16-L33 HydrophobicContact CD2-CD1 4.36Å; Y16-L33 HydrophobicContact CG-CB 4.44Å; Y16-L33 HydrophobicContact CG-CD1 3.9Å; E17-L33 CarbonylContact O-C 3.59Å; E17-L33 VanDerWaalsContact O-CA 3.31Å; E17-L33 WeakPolarHBondContact O-CA 3.36Å; V18-L33 HydrophobicContact CB-CD2 4.34Å; V18-L33 HydrophobicContact CG2-CD2 3.71Å; L33-Y41 CarbonylContact O-C 3.56Å; L33-Y41 VanDerWaalsContact O-CA 3.29Å; L33-Y41 WeakPolarHBondContact O-CA 3.37Å; L33-F42 HydrophobicContact CB-CB 4.12Å; L33-F42 PolarHBondContact N-O 3.45Å; L33-F42 PolarHBondContact O-N 2.6Å; L33-L44 HydrophobicContact CD1-CB 3.72Å; L33-L44 HydrophobicContact CD2-CB 4.22Å; L33-L44 HydrophobicContact CG-CB 3.9Å; L33-I95 HydrophobicContact CD1-CD1 4.09Å; L33-I95 HydrophobicContact CD1-CG1 4.39Å
34R94.8Very high86.7Confident78 Ų7852.4 Ų52.429%0.29425%0.253SS..EExtended strand (participates in β ladder)trans-119.4124.1165.7179.5173.771.2-179.94.7108.5Y16 E17 V19 L39 E40 Y41Y16-R34 CarbonylContact C-O 3.59Å; Y16-R34 WeakPolarHBondContact CA-O 3.28Å; E17-R34 HydrophobicContact CB-CB 4.48Å; E17-R34 VanDerWaalsContact CD-NH2 3.34Å; E17-R34 PolarHBondContact N-O 3.24Å; E17-R34 PolarHBondContact O-N 2.8Å; E17-R34 IonicContact OE1-NH2 3.49Å; E17-R34 PolarHBondContact OE1-NH2 2.97Å; E17-R34 IonicContact OE2-CZ 2.64Å; E17-R34 VanDerWaalsContact OE2-CZ 3.29Å; E17-R34 IonicContact OE2-NE 3.29Å; E17-R34 PolarHBondContact OE2-NE 2.9Å; E17-R34 IonicContact OE2-NH2 3.35Å; E17-R34 PolarHBondContact OE2-NH2 3.48Å; V19-R34 HydrophobicContact CG2-CB 3.64Å; R34-L39 HydrophobicContact CG-CD2 4.5Å; R34-E40 WeakPolarHBondContact CA-O 3.23Å; R34-Y41 HydrophobicContact CB-CD1 4.11Å; R34-Y41 HydrophobicContact CB-CE1 3.99Å; R34-Y41 HydrophobicContact CG-CE1 4.19Å
35R91.9Very high87.4Confident62 Ų6246.9 Ų46.923%0.23423%0.23CC..EExtended strand (participates in β ladder)trans-74.4136.6176.9-152.4175.380.3-17615.6109.6Y16 D37 N38 L39 E40 F42Y16-R35 HydrophobicContact CD1-CB 4Å; Y16-R35 HydrophobicContact CD1-CG 3.97Å; Y16-R35 HydrophobicContact CE1-CB 3.9Å; Y16-R35 HydrophobicContact CE1-CG 3.63Å; R35-D37 WeakPolarHBondContact CD-OD1 3.45Å; R35-D37 VanDerWaalsContact CG-OD1 3.23Å; R35-D37 WeakPolarHBondContact CG-OD1 3.45Å; R35-D37 IonicContact CZ-OD1 3.44Å; R35-D37 IonicContact CZ-OD2 3.94Å; R35-D37 IonicContact NE-OD1 3.37Å; R35-D37 PolarHBondContact NE-OD1 2.82Å; R35-D37 IonicContact NE-OD2 2.77Å; R35-D37 PolarHBondContact NE-OD2 2.99Å; R35-D37 IonicContact NH2-OD1 3.45Å; R35-D37 PolarHBondContact NH2-OD1 3.25Å; R35-D37 IonicContact NH2-OD2 3.02Å; R35-D37 PolarHBondContact NH2-OD2 3.17Å; R35-D37 PolarHBondContact O-N 3.26Å; R35-N38 VanDerWaalsContact CZ-CG 3.47Å; R35-N38 PolarHBondContact NE-OD1 2.96Å; R35-N38 VanDerWaalsContact NH2-CG 3.26Å; R35-N38 PolarHBondContact NH2-ND2 2.85Å; R35-L39 VanDerWaalsContact O-CA 3.26Å; R35-L39 WeakPolarHBondContact O-CA 3.46Å; R35-L39 PolarHBondContact O-N 3.21Å; R35-L39 VanDerWaalsContact O-N 3.07Å; R35-E40 PolarHBondContact N-O 3.42Å; R35-F42 HydrophobicContact CB-CD2 4.09Å; R35-F42 HydrophobicContact CB-CE2 3.62Å; R35-F42 HydrophobicContact CG-CE2 4.31Å
36R90.6Very high88.6Confident149 Ų14945.7 Ų45.756%0.56222%0.216SC*.THydrogen-bonded Turntrans-73.8-25.8-167.7-68.3178.9-175.2-78.3-7.2114.3D14 Q15 Y16D14-R36 WeakPolarHBondContact O-CD 3.29Å; D14-R36 PolarHBondContact O-NE 3.2Å; D14-R36 VanDerWaalsContact O-NE 3.16Å; Q15-R36 WeakPolarHBondContact O-CG 3.48Å; Q15-R36 PolarHBondContact O-N 3.26Å; Y16-R36 PolarHBondContact O-NE 3.07Å; Y16-R36 PolarHBondContact O-NH2 3.32Å
37D88.8Confident89.8Confident114 Ų11443.1 Ų43.161%0.6120%0.199SC*.THydrogen-bonded Turntrans-85.2-41.5-173.763.8-26.1000113.6R35R35-D37 WeakPolarHBondContact CD-OD1 3.45Å; R35-D37 VanDerWaalsContact CG-OD1 3.23Å; R35-D37 WeakPolarHBondContact CG-OD1 3.45Å; R35-D37 IonicContact CZ-OD1 3.44Å; R35-D37 IonicContact CZ-OD2 3.94Å; R35-D37 IonicContact NE-OD1 3.37Å; R35-D37 PolarHBondContact NE-OD1 2.82Å; R35-D37 IonicContact NE-OD2 2.77Å; R35-D37 PolarHBondContact NE-OD2 2.99Å; R35-D37 IonicContact NH2-OD1 3.45Å; R35-D37 PolarHBondContact NH2-OD1 3.25Å; R35-D37 IonicContact NH2-OD2 3.02Å; R35-D37 PolarHBondContact NH2-OD2 3.17Å; R35-D37 PolarHBondContact O-N 3.26Å
38N86.8Confident90.7Very high57 Ų5746.6 Ų46.631%0.30522%0.215SC..THydrogen-bonded Turntrans-121.5-1.2-173.875.4-10.5000113.8R35 E40R35-N38 VanDerWaalsContact CZ-CG 3.47Å; R35-N38 PolarHBondContact NE-OD1 2.96Å; R35-N38 VanDerWaalsContact NH2-CG 3.26Å; R35-N38 PolarHBondContact NH2-ND2 2.85Å; N38-E40 VanDerWaalsContact ND2-CG 3.32Å; N38-E40 WeakPolarHBondContact ND2-CG 3.46Å; N38-E40 PolarHBondContact ND2-OE2 3.26Å; N38-E40 PolarHBondContact O-N 2.91Å; N38-E40 VanDerWaalsContact O-N 3.16Å; N38-E40 WeakPolarHBondContact OD1-CB 3.23Å; N38-E40 PolarHBondContact OD1-N 3.21Å
39L86.2Confident91Very high105 Ų10546.6 Ų46.655%0.5521%0.214SC..  trans62.315179.2-50.9175.4000114.8R34 R35R34-L39 HydrophobicContact CG-CD2 4.5Å; R35-L39 VanDerWaalsContact O-CA 3.26Å; R35-L39 WeakPolarHBondContact O-CA 3.46Å; R35-L39 PolarHBondContact O-N 3.21Å; R35-L39 VanDerWaalsContact O-N 3.07Å
40E91.8Very high90.5Very high105 Ų10551.5 Ų51.549%0.49123%0.23SC..  trans-69.8150.1173.9-75.2179.2168.500111.5R34 R35 N38 F42R34-E40 WeakPolarHBondContact CA-O 3.23Å; R35-E40 PolarHBondContact N-O 3.42Å; N38-E40 VanDerWaalsContact ND2-CG 3.32Å; N38-E40 WeakPolarHBondContact ND2-CG 3.46Å; N38-E40 PolarHBondContact ND2-OE2 3.26Å; N38-E40 PolarHBondContact O-N 2.91Å; N38-E40 VanDerWaalsContact O-N 3.16Å; N38-E40 WeakPolarHBondContact OD1-CB 3.23Å; N38-E40 PolarHBondContact OD1-N 3.21Å; E40-F42 HydrophobicContact CB-CE2 3.61Å; E40-F42 HydrophobicContact CB-CZ 3.94Å; E40-F42 WeakPolarHBondContact O-CD2 3.4Å; E40-F42 WeakPolarHBondContact O-CE2 3.27Å
41Y95.9Very high90Very high100 Ų10053.1 Ų53.139%0.39224%0.241SC..EExtended strand (participates in β ladder)trans-97.5140.4-179.4-66.2-77.3000112.3V19 K32 L33 R34 Y98V19-Y41 HydrophobicContact CG2-CE1 4.2Å; K32-Y41 HydrophobicContact CD-CD1 4.43Å; K32-Y41 HydrophobicContact CG-CD1 4.3Å; L33-Y41 CarbonylContact O-C 3.56Å; L33-Y41 VanDerWaalsContact O-CA 3.29Å; L33-Y41 WeakPolarHBondContact O-CA 3.37Å; R34-Y41 HydrophobicContact CB-CD1 4.11Å; R34-Y41 HydrophobicContact CB-CE1 3.99Å; R34-Y41 HydrophobicContact CG-CE1 4.19Å; Y41-Y98 VanDerWaalsContact C-CB 3.44Å; Y41-Y98 VanDerWaalsContact O-CB 3.22Å; Y41-Y98 WeakPolarHBondContact O-CB 3.41Å; Y41-Y98 PolarHBondContact O-N 3.1Å
42F95.2Very high89.6Confident5 Ų556 Ų562%0.02226%0.257CS..EExtended strand (participates in β ladder)trans-132.7167.4179.1-58.8-93.5000110.3Y16 L33 R35 E40 L77 I95 R96Y16-F42 HydrophobicContact CD1-CD2 4.33Å; Y16-F42 HydrophobicContact CE1-CB 4.49Å; Y16-F42 AromaticContact CE1-CD2 3.74Å; Y16-F42 HydrophobicContact CE1-CD2 3.74Å; Y16-F42 HydrophobicContact CE1-CE2 4.21Å; Y16-F42 HydrophobicContact CE1-CG 4.08Å; L33-F42 HydrophobicContact CB-CB 4.12Å; L33-F42 PolarHBondContact N-O 3.45Å; L33-F42 PolarHBondContact O-N 2.6Å; R35-F42 HydrophobicContact CB-CD2 4.09Å; R35-F42 HydrophobicContact CB-CE2 3.62Å; R35-F42 HydrophobicContact CG-CE2 4.31Å; E40-F42 HydrophobicContact CB-CE2 3.61Å; E40-F42 HydrophobicContact CB-CZ 3.94Å; E40-F42 WeakPolarHBondContact O-CD2 3.4Å; E40-F42 WeakPolarHBondContact O-CE2 3.27Å; F42-L77 HydrophobicContact CD1-CD1 3.7Å; F42-L77 HydrophobicContact CE1-CD1 3.41Å; F42-L77 VanDerWaalsContact CE1-CD1 3.41Å; F42-I95 HydrophobicContact CB-CG2 3.97Å; F42-I95 HydrophobicContact CD1-CG2 4.31Å; F42-I95 HydrophobicContact CG-CG2 4.39Å; F42-R96 CarbonylContact C-O 3.29Å; F42-R96 VanDerWaalsContact CA-O 3.29Å; F42-R96 WeakPolarHBondContact CA-O 3.3Å; F42-R96 WeakPolarHBondContact CB-O 3.36Å
43V94.8Very high89Confident6 Ų660.5 Ų60.54%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-119.5125.3171.5176.20000108.3L22 Y31 I95 R96 Y98L22-V43 HydrophobicContact CD1-CG1 4.19Å; L22-V43 HydrophobicContact CD1-CG2 3.94Å; Y31-V43 WeakPolarHBondContact O-CA 3.41Å; V43-I95 WeakPolarHBondContact O-CA 3.49Å; V43-R96 HydrophobicContact CB-CG 4.24Å; V43-R96 PolarHBondContact N-O 3.29Å; V43-R96 PolarHBondContact O-N 3.16Å; V43-Y98 HydrophobicContact CG2-CD2 3.76Å
44L94.2Very high88.3Confident0 Ų060.9 Ų60.90%029%0.285CS..EExtended strand (participates in β ladder)trans-95124.2165.4169.570.4000108.6M9 L13 S30 Y31 L33 M46 V94 I95M9-L44 HydrophobicContact CE-CD1 4.11Å; M9-L44 HydrophobicContact CE-CD2 4.16Å; L13-L44 HydrophobicContact CD2-CD2 4.23Å; S30-L44 CarbonylContact C-O 3.55Å; S30-L44 VanDerWaalsContact CA-O 3.24Å; S30-L44 WeakPolarHBondContact CA-O 3.39Å; Y31-L44 HydrophobicContact CD2-CD2 4.07Å; Y31-L44 HydrophobicContact CD2-CG 4.47Å; Y31-L44 PolarHBondContact N-O 2.99Å; Y31-L44 PolarHBondContact O-N 3.23Å; L33-L44 HydrophobicContact CD1-CB 3.72Å; L33-L44 HydrophobicContact CD2-CB 4.22Å; L33-L44 HydrophobicContact CG-CB 3.9Å; L44-M46 HydrophobicContact CD1-CG 4.21Å; L44-M46 HydrophobicContact CD2-CG 3.84Å; L44-M46 HydrophobicContact CD2-SD 4.06Å; L44-M46 HydrophobicContact CG-CG 3.89Å; L44-V94 CarbonylContact C-O 3.49Å; L44-V94 WeakPolarHBondContact CA-O 3.42Å; L44-I95 HydrophobicContact CD1-CG1 3.92Å
45K91.7Very high88Confident12 Ų1257.2 Ų57.25%0.05227%0.27CS..EExtended strand (participates in β ladder)trans-108.9116.6167.1-177.582.5168.4-136.70108.4S30 I47 S93 V94 D162 W164S30-K45 WeakPolarHBondContact OG-CD 3.41Å; K45-I47 HydrophobicContact CG-CD1 4.47Å; K45-I47 HydrophobicContact CG-CG1 4.11Å; K45-S93 CarbonylContact O-C 3.42Å; K45-S93 VanDerWaalsContact O-CA 3.31Å; K45-S93 WeakPolarHBondContact O-CA 3.25Å; K45-V94 HydrophobicContact CB-CG2 3.71Å; K45-V94 HydrophobicContact CG-CG2 4.44Å; K45-V94 PolarHBondContact N-O 3.36Å; K45-V94 PolarHBondContact O-N 3.09Å; K45-D162 IonicContact NZ-OD2 3.46Å; K45-D162 PolarHBondContact NZ-OD2 3.31Å; K45-W164 HydrophobicContact CG-CZ2 4.49Å
46M90.1Very high87.7Confident4 Ų460.3 Ų60.32%0.0228%0.283CS..EExtended strand (participates in β ladder)trans-98.4113.6175.3-63.6-175.463.600109.8M9 G28 T29 Y31 L44 Y91M9-M46 HydrophobicContact CE-CE 4.39Å; M9-M46 HydrophobicContact CE-SD 4.43Å; M9-M46 HydrophobicContact CG-CE 3.62Å; M9-M46 HydrophobicContact CG-SD 4.18Å; M9-M46 HydrophobicContact SD-CE 3.82Å; G28-M46 CarbonylContact C-O 3.51Å; G28-M46 WeakPolarHBondContact CA-O 3.46Å; T29-M46 PolarHBondContact N-O 3.5Å; T29-M46 PolarHBondContact O-N 3.33Å; Y31-M46 HydrophobicContact CD2-CG 4.45Å; Y31-M46 HydrophobicContact CD2-SD 4.27Å; Y31-M46 HydrophobicContact CE2-CG 4.26Å; Y31-M46 HydrophobicContact CE2-SD 3.75Å; L44-M46 HydrophobicContact CD1-CG 4.21Å; L44-M46 HydrophobicContact CD2-CG 3.84Å; L44-M46 HydrophobicContact CD2-SD 4.06Å; L44-M46 HydrophobicContact CG-CG 3.89Å; M46-Y91 HydrophobicContact CB-CD1 4.47Å; M46-Y91 HydrophobicContact CE-CD1 4.25Å; M46-Y91 HydrophobicContact CE-CG 4.22Å
47I87.8Confident87.4Confident0 Ų054.8 Ų54.80%026%0.264CS..EExtended strand (participates in β ladder)trans-102.4119.5-178.5-62.1159.2000108.7Q27 K45 L58 F62 Y91 V92 L168 Y171Q27-I47 VanDerWaalsContact O-CA 3.29Å; Q27-I47 WeakPolarHBondContact O-CA 3.21Å; Q27-I47 WeakPolarHBondContact O-CB 3.38Å; Q27-I47 WeakPolarHBondContact O-CG1 3.31Å; Q27-I47 WeakPolarHBondContact O-CG2 3.43Å; K45-I47 HydrophobicContact CG-CD1 4.47Å; K45-I47 HydrophobicContact CG-CG1 4.11Å; I47-L58 HydrophobicContact CG2-CD1 4.08Å; I47-F62 HydrophobicContact CD1-CE2 3.66Å; I47-F62 HydrophobicContact CD1-CZ 3.39Å; I47-Y91 CarbonylContact O-C 3.42Å; I47-Y91 WeakPolarHBondContact O-CA 3.49Å; I47-V92 WeakPolarHBondContact CB-O 3.47Å; I47-V92 PolarHBondContact N-O 3.42Å; I47-V92 PolarHBondContact O-N 3.16Å; I47-L168 HydrophobicContact CD1-CD1 4.36Å; I47-L168 HydrophobicContact CD1-CD2 3.7Å; I47-L168 HydrophobicContact CG2-CD1 4.15Å; I47-Y171 HydrophobicContact CG2-CE1 4.35Å
48E85.2Confident87.3Confident82 Ų8249.3 Ų49.338%0.38324%0.235SC..EExtended strand (participates in β ladder)trans-78.8130.1175.2-166.7172.3159.800110.1Y91 Y171E48-Y91 HydrophobicContact CB-CD1 4.01Å; E48-Y91 HydrophobicContact CB-CE1 3.6Å; E48-Y91 HydrophobicContact CG-CD1 4.38Å; E48-Y91 HydrophobicContact CG-CE1 3.74Å; E48-Y171 PolarHBondContact O-OH 2.98Å
49C83.8Confident87.4Confident10 Ų1049 Ų497%0.06823%0.231CC..EExtended strand (participates in β ladder)trans-104.4145-176.3-59.30000111S51 H54 I90C49-S51 VanDerWaalsContact C-N 3.34Å; C49-S51 PolarHBondContact O-N 3.09Å; C49-H54 WeakPolarHBondContact CA-ND1 3.18Å; C49-I90 HydrophobicContact CB-CB 4.19Å; C49-I90 HydrophobicContact CB-CG2 4.08Å; C49-I90 PolarHBondContact N-O 3Å
50R77.5Confident87.3Confident125 Ų12548.4 Ų48.447%0.47223%0.226SC..SBendtrans-64-35.7176.9-59-177.3-177.3163.66.6113.7H54 Y171R50-H54 PolarHBondContact N-ND1 3.35Å; R50-H54 VanDerWaalsContact N-ND1 3.19Å; R50-Y171 HydrophobicContact CG-CE2 3.86Å
51S80Confident86.9Confident50 Ų5043.5 Ų43.535%0.3520%0.203SC..SBendtrans-153.6173.7-17668.30000110.3C49 H54 G55C49-S51 VanDerWaalsContact C-N 3.34Å; C49-S51 PolarHBondContact O-N 3.09Å; S51-H54 PolarHBondContact O-N 3.23Å; S51-H54 PolarHBondContact OG-N 3.27Å; S51-H54 VanDerWaalsContact OG-N 3.16Å; S51-G55 PolarHBondContact O-N 3.13Å
52L83.5Confident86.5Confident81 Ų8138.8 Ų38.842%0.42418%0.184SC..Hα-helixtrans-66.3-41.8176-174.763.9000111.3H54 G55 Y56 M81 I90L52-H54 VanDerWaalsContact C-N 3.32Å; L52-H54 PolarHBondContact O-N 3.16Å; L52-G55 CarbonylContact O-C 3.16Å; L52-G55 WeakPolarHBondContact O-CA 3.28Å; L52-G55 PolarHBondContact O-N 3.01Å; L52-Y56 HydrophobicContact CD1-CD2 4.26Å; L52-Y56 HydrophobicContact CD1-CE2 3.74Å; L52-Y56 HydrophobicContact CD2-CE2 3.88Å; L52-Y56 HydrophobicContact CG-CD2 3.88Å; L52-Y56 HydrophobicContact CG-CE2 3.49Å; L52-Y56 VanDerWaalsContact CG-CE2 3.49Å; L52-Y56 VanDerWaalsContact O-CD2 3.3Å; L52-Y56 WeakPolarHBondContact O-CD2 3.33Å; L52-Y56 PolarHBondContact O-N 2.78Å; L52-M81 HydrophobicContact CD1-SD 4.36Å; L52-I90 HydrophobicContact CB-CD1 3.51Å; L52-I90 HydrophobicContact CD1-CD1 3.86Å; L52-I90 HydrophobicContact CG-CD1 4.27Å; L52-I90 VanDerWaalsContact N-CD1 3.26Å
53D83Confident86Confident126 Ų12640.9 Ų40.967%0.67420%0.195SC*.Hα-helixtrans-62.6-39.9176.9-58.1-36.4000111.8G55 Y56 L57D53-G55 VanDerWaalsContact C-N 3.31Å; D53-G55 PolarHBondContact O-N 3.14Å; D53-Y56 PolarHBondContact O-N 2.99Å; D53-L57 WeakPolarHBondContact O-CB 3.21Å; D53-L57 PolarHBondContact O-N 3.06Å
54H81.4Confident85.2Confident8 Ų843.6 Ų43.64%0.03721%0.207CC..Hα-helixtrans-63.1-39.1172179.4-131.1000111.8C49 R50 S51 L52 L57 L58 Y171 I177C49-H54 WeakPolarHBondContact CA-ND1 3.18Å; R50-H54 PolarHBondContact N-ND1 3.35Å; R50-H54 VanDerWaalsContact N-ND1 3.19Å; S51-H54 PolarHBondContact O-N 3.23Å; S51-H54 PolarHBondContact OG-N 3.27Å; S51-H54 VanDerWaalsContact OG-N 3.16Å; L52-H54 VanDerWaalsContact C-N 3.32Å; L52-H54 PolarHBondContact O-N 3.16Å; H54-L57 PolarHBondContact O-N 3.15Å; H54-L58 WeakPolarHBondContact O-CB 3.5Å; H54-L58 WeakPolarHBondContact O-CG 3.43Å; H54-L58 PolarHBondContact O-N 2.96Å; H54-Y171 AromaticContact CE1-CD2 3.51Å; H54-Y171 AromaticContact CE1-CE2 3.62Å; H54-Y171 AromaticContact CE1-CG 3.82Å; H54-Y171 AromaticContact CE1-CZ 3.98Å; H54-Y171 AromaticContact NE2-CD2 3.78Å; H54-Y171 AromaticContact NE2-CG 3.89Å; H54-I177 VanDerWaalsContact CD2-CD1 3.47Å; H54-I177 WeakPolarHBondContact CD2-CD1 3.31Å
55G86.6Confident84.5Confident0 Ų044.5 Ų44.50%021%0.212CC..Hα-helixtrans-60.1-46.4173.500000112.7S51 L52 D53 L58 F59 V92S51-G55 PolarHBondContact O-N 3.13Å; L52-G55 CarbonylContact O-C 3.16Å; L52-G55 WeakPolarHBondContact O-CA 3.28Å; L52-G55 PolarHBondContact O-N 3.01Å; D53-G55 VanDerWaalsContact C-N 3.31Å; D53-G55 PolarHBondContact O-N 3.14Å; G55-L58 PolarHBondContact O-N 3.37Å; G55-F59 VanDerWaalsContact O-CB 3.27Å; G55-F59 WeakPolarHBondContact O-CB 3.25Å; G55-F59 PolarHBondContact O-N 2.97Å; G55-V92 WeakPolarHBondContact O-CG2 3.25Å
56Y87.3Confident84.1Confident128 Ų12846.3 Ų46.350%0.50222%0.221SC..Hα-helixtrans-62.7-45175.6-78.1-63.8000112.5L52 D53 L58 F59 E60 M81L52-Y56 HydrophobicContact CD1-CD2 4.26Å; L52-Y56 HydrophobicContact CD1-CE2 3.74Å; L52-Y56 HydrophobicContact CD2-CE2 3.88Å; L52-Y56 HydrophobicContact CG-CD2 3.88Å; L52-Y56 HydrophobicContact CG-CE2 3.49Å; L52-Y56 VanDerWaalsContact CG-CE2 3.49Å; L52-Y56 VanDerWaalsContact O-CD2 3.3Å; L52-Y56 WeakPolarHBondContact O-CD2 3.33Å; L52-Y56 PolarHBondContact O-N 2.78Å; D53-Y56 PolarHBondContact O-N 2.99Å; Y56-L58 PolarHBondContact O-N 3.2Å; Y56-F59 PolarHBondContact O-N 3.09Å; Y56-E60 PolarHBondContact O-N 3.43Å; Y56-M81 HydrophobicContact CD1-CE 3.58Å; Y56-M81 HydrophobicContact CD1-SD 4.28Å; Y56-M81 HydrophobicContact CE1-CE 3.83Å; Y56-M81 HydrophobicContact CE1-SD 4.16Å; Y56-M81 HydrophobicContact CG-CE 4.18Å
57L84.6Confident83.6Confident32 Ų3252.6 Ų52.617%0.16825%0.248CC..Hα-helixtrans-57.9-47.9177.5-177.470000111.8D53 H54 E61 N167 I177D53-L57 WeakPolarHBondContact O-CB 3.21Å; D53-L57 PolarHBondContact O-N 3.06Å; H54-L57 PolarHBondContact O-N 3.15Å; L57-E61 WeakPolarHBondContact O-CB 3.46Å; L57-E61 PolarHBondContact O-N 3.31Å; L57-N167 HydrophobicContact CD2-CB 4.23Å; L57-I177 HydrophobicContact CD2-CG2 3.64Å
58L85Confident83.2Confident0 Ų054.1 Ų54.10%026%0.255CS..Hα-helixtrans-66.6-38.1177.9-70.9-173.9000112.1I47 H54 G55 Y56 E61 F62 V92 N167 L168I47-L58 HydrophobicContact CG2-CD1 4.08Å; H54-L58 WeakPolarHBondContact O-CB 3.5Å; H54-L58 WeakPolarHBondContact O-CG 3.43Å; H54-L58 PolarHBondContact O-N 2.96Å; G55-L58 PolarHBondContact O-N 3.37Å; Y56-L58 PolarHBondContact O-N 3.2Å; L58-E61 WeakPolarHBondContact CD2-OE2 3.5Å; L58-E61 WeakPolarHBondContact O-CB 3.47Å; L58-E61 PolarHBondContact O-N 2.87Å; L58-F62 WeakPolarHBondContact O-CD2 3.38Å; L58-F62 PolarHBondContact O-N 3.36Å; L58-V92 HydrophobicContact CB-CG2 4.23Å; L58-N167 HydrophobicContact CD2-CB 4.43Å; L58-L168 HydrophobicContact CD1-CD1 4.14Å; L58-L168 HydrophobicContact CD2-CB 3.78Å; L58-L168 HydrophobicContact CD2-CD1 4.1Å; L58-L168 HydrophobicContact CD2-CG 4.44Å
59F89.1Confident82.8Confident50 Ų5056.3 Ų56.322%0.21927%0.268CS..Hα-helixtrans-63.2-46.1178.3-176.7-92.4000111.9G55 Y56 F62 I63 I79 M81G55-F59 VanDerWaalsContact O-CB 3.27Å; G55-F59 WeakPolarHBondContact O-CB 3.25Å; G55-F59 PolarHBondContact O-N 2.97Å; Y56-F59 PolarHBondContact O-N 3.09Å; F59-F62 PolarHBondContact O-N 3.09Å; F59-I63 HydrophobicContact CD1-CD1 3.8Å; F59-I63 HydrophobicContact CE1-CD1 3.42Å; F59-I63 VanDerWaalsContact CE1-CD1 3.42Å; F59-I63 HydrophobicContact CE1-CG1 4.28Å; F59-I63 HydrophobicContact CZ-CD1 4.16Å; F59-I63 WeakPolarHBondContact O-CG1 3.4Å; F59-I63 PolarHBondContact O-N 3.36Å; F59-I79 HydrophobicContact CD2-CG2 3.51Å; F59-I79 HydrophobicContact CE2-CB 4.13Å; F59-I79 HydrophobicContact CE2-CG2 3.6Å; F59-I79 HydrophobicContact CG-CG2 4.4Å; F59-M81 HydrophobicContact CB-CE 3.52Å; F59-M81 HydrophobicContact CD1-CE 4.27Å; F59-M81 HydrophobicContact CD2-CB 4.22Å; F59-M81 HydrophobicContact CD2-CE 3.99Å; F59-M81 HydrophobicContact CG-CE 3.68Å
60E85.1Confident82.7Confident93 Ų9356.4 Ų56.444%0.43527%0.267SS..Hα-helixtrans-59.9-45.5172.8-75.3-61.2132.400111.1Y56 F62 I63 H64Y56-E60 PolarHBondContact O-N 3.43Å; E60-F62 VanDerWaalsContact C-N 3.29Å; E60-F62 PolarHBondContact O-N 2.85Å; E60-I63 WeakPolarHBondContact O-CB 3.44Å; E60-I63 PolarHBondContact O-N 3.29Å; E60-I63 VanDerWaalsContact O-N 3.11Å; E60-H64 PolarHBondContact O-N 3.33Å; E60-H64 VanDerWaalsContact O-N 3.13Å; E60-H64 PolarHBondContact O-ND1 2.79Å
61E82.9Confident82.9Confident2 Ų253.1 Ų53.11%0.00926%0.262CS..Hα-helixtrans-57.1-42.2175.7176.9170.9-123.700112.3L57 L58 H64 I65 G165 P166 N167 L168 F182L57-E61 WeakPolarHBondContact O-CB 3.46Å; L57-E61 PolarHBondContact O-N 3.31Å; L58-E61 WeakPolarHBondContact CD2-OE2 3.5Å; L58-E61 WeakPolarHBondContact O-CB 3.47Å; L58-E61 PolarHBondContact O-N 2.87Å; E61-H64 WeakPolarHBondContact O-CB 3.35Å; E61-H64 PolarHBondContact O-N 3.22Å; E61-I65 HydrophobicContact CG-CD1 3.72Å; E61-I65 WeakPolarHBondContact O-CD1 3.42Å; E61-I65 WeakPolarHBondContact O-CG1 3.37Å; E61-I65 PolarHBondContact O-N 3.44Å; E61-G165 WeakPolarHBondContact OE1-CA 3.42Å; E61-P166 WeakPolarHBondContact OE1-CD 3.41Å; E61-N167 PolarHBondContact OE1-N 2.94Å; E61-N167 WeakPolarHBondContact OE2-CB 3.15Å; E61-L168 WeakPolarHBondContact OE2-CB 3.39Å; E61-L168 PolarHBondContact OE2-N 3.17Å; E61-F182 HydrophobicContact CB-CE2 4.01Å; E61-F182 HydrophobicContact CB-CZ 3.65Å; E61-F182 HydrophobicContact CG-CZ 4.01Å
62F86.8Confident83.4Confident0 Ų051.8 Ų51.80%025%0.249CC..Hα-helixtrans-65.5-37.5175.3-80.2-57.8000113.7I47 L58 F59 E60 H64 I65 Q66 I76 I79 V92 V94 W164 L168I47-F62 HydrophobicContact CD1-CE2 3.66Å; I47-F62 HydrophobicContact CD1-CZ 3.39Å; L58-F62 WeakPolarHBondContact O-CD2 3.38Å; L58-F62 PolarHBondContact O-N 3.36Å; F59-F62 PolarHBondContact O-N 3.09Å; E60-F62 VanDerWaalsContact C-N 3.29Å; E60-F62 PolarHBondContact O-N 2.85Å; F62-H64 PolarHBondContact O-N 3.42Å; F62-I65 HydrophobicContact CD1-CD1 4.34Å; F62-I65 PolarHBondContact O-N 3.49Å; F62-Q66 VanDerWaalsContact O-CB 3.28Å; F62-Q66 WeakPolarHBondContact O-CB 3.44Å; F62-Q66 PolarHBondContact O-N 2.62Å; F62-I76 HydrophobicContact CD1-CD1 3.63Å; F62-I76 HydrophobicContact CE1-CD1 4.16Å; F62-I79 VanDerWaalsContact C-CD1 3.44Å; F62-I79 HydrophobicContact CB-CD1 3.63Å; F62-I79 HydrophobicContact CB-CG1 4.01Å; F62-I79 HydrophobicContact CB-CG2 3.86Å; F62-I79 HydrophobicContact CD2-CG2 4.46Å; F62-I79 HydrophobicContact CG-CG2 4.42Å; F62-I79 WeakPolarHBondContact O-CD1 3.39Å; F62-V92 HydrophobicContact CD2-CG1 3.52Å; F62-V92 HydrophobicContact CE2-CG1 3.63Å; F62-V94 HydrophobicContact CD1-CG1 3.75Å; F62-V94 HydrophobicContact CD2-CG1 3.9Å; F62-V94 HydrophobicContact CE1-CG1 3.72Å; F62-V94 HydrophobicContact CE2-CG1 3.89Å; F62-V94 HydrophobicContact CG-CG1 3.83Å; F62-V94 HydrophobicContact CZ-CG1 3.77Å; F62-W164 HydrophobicContact CD1-CE3 4.38Å; F62-W164 HydrophobicContact CD1-CZ3 4.4Å; F62-W164 HydrophobicContact CE1-CD2 4.17Å; F62-W164 AromaticContact CE1-CE3 3.41Å; F62-W164 HydrophobicContact CE1-CE3 3.41Å; F62-W164 VanDerWaalsContact CE1-CE3 3.41Å; F62-W164 HydrophobicContact CE1-CH2 4.25Å; F62-W164 AromaticContact CE1-CZ3 3.46Å; F62-W164 HydrophobicContact CE1-CZ3 3.46Å; F62-W164 VanDerWaalsContact CE1-CZ3 3.46Å; F62-W164 HydrophobicContact CZ-CE3 4.14Å; F62-W164 HydrophobicContact CZ-CZ3 4.19Å; F62-L168 HydrophobicContact CE1-CD2 3.98Å; F62-L168 HydrophobicContact CE2-CD2 3.95Å; F62-L168 HydrophobicContact CZ-CD2 3.27Å
63I84.7Confident83.5Confident50 Ų5048.9 Ų48.926%0.25624%0.235SC..Hα-helixtrans-59.8-36.9173.9-72.6173.3000110.5F59 E60 I79F59-I63 HydrophobicContact CD1-CD1 3.8Å; F59-I63 HydrophobicContact CE1-CD1 3.42Å; F59-I63 VanDerWaalsContact CE1-CD1 3.42Å; F59-I63 HydrophobicContact CE1-CG1 4.28Å; F59-I63 HydrophobicContact CZ-CD1 4.16Å; F59-I63 WeakPolarHBondContact O-CG1 3.4Å; F59-I63 PolarHBondContact O-N 3.36Å; E60-I63 WeakPolarHBondContact O-CB 3.44Å; E60-I63 PolarHBondContact O-N 3.29Å; E60-I63 VanDerWaalsContact O-N 3.11Å; I63-I79 HydrophobicContact CG1-CD1 4.04Å
64H78.5Confident83.8Confident62 Ų6243.7 Ų43.729%0.28721%0.208SC..Hα-helixtrans-69.7-47.9175.7-68.283.9000111.5E60 E61 F62 Q66 K67 F182E60-H64 PolarHBondContact O-N 3.33Å; E60-H64 VanDerWaalsContact O-N 3.13Å; E60-H64 PolarHBondContact O-ND1 2.79Å; E61-H64 WeakPolarHBondContact O-CB 3.35Å; E61-H64 PolarHBondContact O-N 3.22Å; F62-H64 PolarHBondContact O-N 3.42Å; H64-Q66 VanDerWaalsContact C-N 3.26Å; H64-Q66 PolarHBondContact O-N 3.15Å; H64-K67 WeakPolarHBondContact O-CB 3.18Å; H64-K67 PolarHBondContact O-N 3.41Å; H64-K67 VanDerWaalsContact O-N 3.08Å; H64-F182 HydrophobicContact CB-CE1 4.01Å; H64-F182 AromaticContact CD2-CD1 3.94Å; H64-F182 AromaticContact CE1-CD1 3.67Å; H64-F182 AromaticContact CG-CD1 3.9Å; H64-F182 AromaticContact CG-CE1 3.59Å; H64-F182 AromaticContact ND1-CD1 3.71Å; H64-F182 AromaticContact ND1-CE1 3.55Å; H64-F182 AromaticContact NE2-CD1 3.86Å
65I80.5Confident84.1Confident20 Ų2049.6 Ų49.610%0.10323%0.23CC..Hα-helixtrans-64.6-30.5178.6-64156.9000111.8E61 F62 K67 F68 I76E61-I65 HydrophobicContact CG-CD1 3.72Å; E61-I65 WeakPolarHBondContact O-CD1 3.42Å; E61-I65 WeakPolarHBondContact O-CG1 3.37Å; E61-I65 PolarHBondContact O-N 3.44Å; F62-I65 HydrophobicContact CD1-CD1 4.34Å; F62-I65 PolarHBondContact O-N 3.49Å; I65-K67 PolarHBondContact O-N 3.13Å; I65-K67 VanDerWaalsContact O-N 3.12Å; I65-F68 WeakPolarHBondContact O-CA 3.41Å; I65-F68 WeakPolarHBondContact O-CB 3.44Å; I65-F68 PolarHBondContact O-N 3.22Å; I65-I76 HydrophobicContact CB-CD1 4.43Å; I65-I76 HydrophobicContact CG2-CD1 3.94Å
66Q82.9Confident84.2Confident49 Ų4950.1 Ų50.123%0.22923%0.233CC..THydrogen-bonded Turntrans-59.1-24.8175.1-178.4173.548.900112.9F62 H64 F68 I76 L77 I79F62-Q66 VanDerWaalsContact O-CB 3.28Å; F62-Q66 WeakPolarHBondContact O-CB 3.44Å; F62-Q66 PolarHBondContact O-N 2.62Å; H64-Q66 VanDerWaalsContact C-N 3.26Å; H64-Q66 PolarHBondContact O-N 3.15Å; Q66-F68 VanDerWaalsContact C-N 3.35Å; Q66-I76 HydrophobicContact CB-CB 4.34Å; Q66-I76 HydrophobicContact CG-CB 4.39Å; Q66-I76 WeakPolarHBondContact CG-O 3.1Å; Q66-I76 PolarHBondContact NE2-O 3.04Å; Q66-I76 VanDerWaalsContact NE2-O 3.13Å; Q66-L77 PolarHBondContact NE2-O 3.25Å; Q66-L77 VanDerWaalsContact NE2-O 3.16Å; Q66-I79 HydrophobicContact CB-CD1 4.14Å
67K79.5Confident84.3Confident136 Ų13647.3 Ų47.359%0.59123%0.226SC*.THydrogen-bonded Turntrans-79.3-17.2174.5-58.3171.2-175.4168.80112.6H64 I65 I69H64-K67 WeakPolarHBondContact O-CB 3.18Å; H64-K67 PolarHBondContact O-N 3.41Å; H64-K67 VanDerWaalsContact O-N 3.08Å; I65-K67 PolarHBondContact O-N 3.13Å; I65-K67 VanDerWaalsContact O-N 3.12Å; K67-I69 PolarHBondContact O-N 3Å
68F78.9Confident84.7Confident33 Ų3348.3 Ų48.315%0.14523%0.23CC..  trans-71.8113.5174.5-177.5-102.4000109.8I65 Q66 H70 V73 L136 A139I65-F68 WeakPolarHBondContact O-CA 3.41Å; I65-F68 WeakPolarHBondContact O-CB 3.44Å; I65-F68 PolarHBondContact O-N 3.22Å; Q66-F68 VanDerWaalsContact C-N 3.35Å; F68-H70 HydrophobicContact CD1-CB 4.27Å; F68-H70 HydrophobicContact CE1-CB 3.49Å; F68-H70 VanDerWaalsContact CE1-CB 3.49Å; F68-H70 HydrophobicContact CZ-CB 3.77Å; F68-V73 HydrophobicContact CE1-CB 4.4Å; F68-V73 HydrophobicContact CE1-CG2 4.13Å; F68-L136 HydrophobicContact CD1-CD2 4.21Å; F68-L136 HydrophobicContact CD2-CD2 4.33Å; F68-L136 HydrophobicContact CE1-CD2 3.77Å; F68-L136 HydrophobicContact CE1-CG 4.3Å; F68-L136 HydrophobicContact CE2-CD2 3.92Å; F68-L136 HydrophobicContact CE2-CG 4.34Å; F68-L136 HydrophobicContact CG-CD2 4.47Å; F68-L136 HydrophobicContact CZ-CD2 3.61Å; F68-L136 HydrophobicContact CZ-CG 3.84Å; F68-A139 HydrophobicContact CD2-CB 4.02Å; F68-A139 HydrophobicContact CE2-CB 4.2Å
69I76.3Confident85Confident127 Ų12749.2 Ų49.265%0.65124%0.235SC*.  trans-111.6115.8179-59.9173.5000108K67K67-I69 PolarHBondContact O-N 3Å
70H82.6Confident85.2Confident12 Ų1249.2 Ų49.26%0.05624%0.235CC..BIsolated β-bridgetrans-140.7134.6174.8-171.7-86.3000110.5F68 Y72 V73 T131 S135F68-H70 HydrophobicContact CD1-CB 4.27Å; F68-H70 HydrophobicContact CE1-CB 3.49Å; F68-H70 VanDerWaalsContact CE1-CB 3.49Å; F68-H70 HydrophobicContact CZ-CB 3.77Å; H70-Y72 AromaticContact CE1-CD2 3.64Å; H70-Y72 AromaticContact CE1-CG 3.94Å; H70-Y72 PolarHBondContact ND1-N 3.25Å; H70-Y72 VanDerWaalsContact ND1-N 3.18Å; H70-Y72 PolarHBondContact O-N 2.97Å; H70-Y72 VanDerWaalsContact O-N 3.15Å; H70-V73 HydrophobicContact CB-CB 4.09Å; H70-V73 HydrophobicContact CB-CG2 3.93Å; H70-V73 PolarHBondContact O-N 3.35Å; H70-T131 WeakPolarHBondContact NE2-CG2 3.35Å; H70-S135 PolarHBondContact CD2-OG 3.24Å
71P82.2Confident85.6Confident56 Ų5647.3 Ų47.336%0.36423%0.227SC..THydrogen-bonded Turntrans-67-20.8-171.9-26.238.4000115.4P316 M320P71-P316 HydrophobicContact CB-CB 3.7Å; P71-P316 HydrophobicContact CB-CG 4.46Å; P71-P316 HydrophobicContact CG-CB 3.4Å; P71-P316 VanDerWaalsContact CG-CB 3.4Å; P71-P316 HydrophobicContact CG-CG 4.28Å; P71-M320 HydrophobicContact CB-CE 3.93Å
72Y89.2Confident85.9Confident22 Ų2247.8 Ų47.89%0.08623%0.231CC..THydrogen-bonded Turntrans-921173.5-61.1-34.3000114H70 S128 V132 F158 F159 M160 T314 P316 I319H70-Y72 AromaticContact CE1-CD2 3.64Å; H70-Y72 AromaticContact CE1-CG 3.94Å; H70-Y72 PolarHBondContact ND1-N 3.25Å; H70-Y72 VanDerWaalsContact ND1-N 3.18Å; H70-Y72 PolarHBondContact O-N 2.97Å; H70-Y72 VanDerWaalsContact O-N 3.15Å; Y72-S128 VanDerWaalsContact CE2-CB 3.47Å; Y72-S128 VanDerWaalsContact CE2-OG 3.29Å; Y72-S128 WeakPolarHBondContact CE2-OG 3.28Å; Y72-S128 PolarHBondContact OH-OG 2.75Å; Y72-V132 HydrophobicContact CD2-CG2 4.26Å; Y72-F158 HydrophobicContact CD1-CB 4.44Å; Y72-F158 AromaticContact CD1-CD1 3.98Å; Y72-F158 HydrophobicContact CD1-CD1 3.98Å; Y72-F158 VanDerWaalsContact CD1-O 3.23Å; Y72-F158 WeakPolarHBondContact CD1-O 3.37Å; Y72-F158 AromaticContact CD2-CD1 3.89Å; Y72-F158 HydrophobicContact CD2-CD1 3.89Å; Y72-F158 HydrophobicContact CD2-CE1 4.23Å; Y72-F158 HydrophobicContact CE1-CB 4.4Å; Y72-F158 HydrophobicContact CE1-CD1 4.5Å; Y72-F158 HydrophobicContact CE2-CD1 4.44Å; Y72-F158 AromaticContact CG-CD1 3.63Å; Y72-F158 HydrophobicContact CG-CD1 3.63Å; Y72-F158 HydrophobicContact CG-CE1 4.19Å; Y72-F159 CarbonylContact O-C 3.53Å; Y72-F159 VanDerWaalsContact O-CA 3.24Å; Y72-F159 WeakPolarHBondContact O-CA 3.31Å; Y72-M160 PolarHBondContact O-N 3.42Å; Y72-T314 WeakPolarHBondContact CE2-O 3.42Å; Y72-T314 PolarHBondContact OH-O 2.99Å; Y72-P316 HydrophobicContact CD2-CG 3.92Å; Y72-P316 HydrophobicContact CE2-CG 3.68Å; Y72-P316 HydrophobicContact CG-CG 4.5Å; Y72-I319 WeakPolarHBondContact OH-CD1 3.42Å
73V87.5Confident86Confident21 Ų2152.9 Ų52.913%0.12726%0.256CS..BIsolated β-bridgetrans-120115.6-178.3-177.40000108.2F68 H70 R75 V132 I163F68-V73 HydrophobicContact CE1-CB 4.4Å; F68-V73 HydrophobicContact CE1-CG2 4.13Å; H70-V73 HydrophobicContact CB-CB 4.09Å; H70-V73 HydrophobicContact CB-CG2 3.93Å; H70-V73 PolarHBondContact O-N 3.35Å; V73-R75 PolarHBondContact O-N 3.05Å; V73-R75 VanDerWaalsContact O-N 3.14Å; V73-V132 HydrophobicContact CG2-CG1 3.92Å; V73-V132 HydrophobicContact CG2-CG2 4.12Å; V73-I163 HydrophobicContact CB-CD1 4.15Å; V73-I163 HydrophobicContact CG1-CD1 3.74Å; V73-I163 HydrophobicContact CG2-CD1 3.3Å
74P89.3Confident86Confident17 Ų1750.8 Ų50.811%0.1125%0.245CC..PPolyproline II helixtrans-58.2122.8175.8-20.129.8000110R96 I99 F159 M160P74-R96 HydrophobicContact CB-CB 4.37Å; P74-I99 HydrophobicContact CG-CD1 3.6Å; P74-I99 HydrophobicContact CG-CG1 3.67Å; P74-F159 HydrophobicContact CG-CD1 4.38Å; P74-M160 WeakPolarHBondContact CD-O 3.49Å
75R86.7Confident86.2Confident132 Ų13252.5 Ų52.550%0.49826%0.262SS..PPolyproline II helixtrans-63.6138.9179.2-172.9179177.2-167.2-4.2110.2V73 L77 R96V73-R75 PolarHBondContact O-N 3.05Å; V73-R75 VanDerWaalsContact O-N 3.14Å; R75-L77 PolarHBondContact O-N 3.16Å; R75-R96 WeakPolarHBondContact O-CB 3.35Å
76I89.2Confident86.3Confident10 Ų1057.2 Ų57.25%0.05128%0.282CS..EExtended strand (participates in β ladder)trans-68.2119.2167.5-60.4177.4000108.1F62 I65 Q66 I79 V94 W164F62-I76 HydrophobicContact CD1-CD1 3.63Å; F62-I76 HydrophobicContact CE1-CD1 4.16Å; I65-I76 HydrophobicContact CB-CD1 4.43Å; I65-I76 HydrophobicContact CG2-CD1 3.94Å; Q66-I76 HydrophobicContact CB-CB 4.34Å; Q66-I76 HydrophobicContact CG-CB 4.39Å; Q66-I76 WeakPolarHBondContact CG-O 3.1Å; Q66-I76 PolarHBondContact NE2-O 3.04Å; Q66-I76 VanDerWaalsContact NE2-O 3.13Å; I76-I79 HydrophobicContact CG2-CD1 4.13Å; I76-I79 HydrophobicContact CG2-CG1 3.52Å; I76-V94 HydrophobicContact CG2-CB 4.4Å; I76-W164 HydrophobicContact CD1-CZ3 4.26Å
77L89.8Confident86.3Confident70 Ų7059.3 Ų59.337%0.36629%0.294SS..EExtended strand (participates in β ladder)trans-90.7-42.8-178.8-60177.5000110.7F42 Q66 R75 I95F42-L77 HydrophobicContact CD1-CD1 3.7Å; F42-L77 HydrophobicContact CE1-CD1 3.41Å; F42-L77 VanDerWaalsContact CE1-CD1 3.41Å; Q66-L77 PolarHBondContact NE2-O 3.25Å; Q66-L77 VanDerWaalsContact NE2-O 3.16Å; R75-L77 PolarHBondContact O-N 3.16Å; L77-I95 PolarHBondContact N-O 3Å
78E92.3Very high86.5Confident52 Ų5256.8 Ų56.824%0.24329%0.294CS..EExtended strand (participates in β ladder)trans-138.6147.2-178.4-51.2175.3-146.500110.7Y16 H80 V94 I95Y16-E78 PolarHBondContact OH-OE1 3.15Å; E78-H80 WeakPolarHBondContact CB-NE2 2.76Å; E78-H80 IonicContact OE2-CD2 2.8Å; E78-H80 IonicContact OE2-CE1 2.78Å; E78-H80 IonicContact OE2-NE2 3.28Å; E78-H80 PolarHBondContact OE2-NE2 3.17Å; E78-V94 WeakPolarHBondContact O-CA 3.42Å; E78-I95 HydrophobicContact CB-CB 4.11Å; E78-I95 HydrophobicContact CB-CD1 4.43Å; E78-I95 HydrophobicContact CB-CG1 4.49Å; E78-I95 PolarHBondContact N-O 3.39Å; E78-I95 PolarHBondContact O-N 3.42Å
79I92.4Very high86.8Confident20 Ų2055.9 Ų55.910%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-133.1129.3176.7-51.9156.7000106.1F59 F62 I63 Q66 I76 V92 S93 V94F59-I79 HydrophobicContact CD2-CG2 3.51Å; F59-I79 HydrophobicContact CE2-CB 4.13Å; F59-I79 HydrophobicContact CE2-CG2 3.6Å; F59-I79 HydrophobicContact CG-CG2 4.4Å; F62-I79 VanDerWaalsContact C-CD1 3.44Å; F62-I79 HydrophobicContact CB-CD1 3.63Å; F62-I79 HydrophobicContact CB-CG1 4.01Å; F62-I79 HydrophobicContact CB-CG2 3.86Å; F62-I79 HydrophobicContact CD2-CG2 4.46Å; F62-I79 HydrophobicContact CG-CG2 4.42Å; F62-I79 WeakPolarHBondContact O-CD1 3.39Å; I63-I79 HydrophobicContact CG1-CD1 4.04Å; Q66-I79 HydrophobicContact CB-CD1 4.14Å; I76-I79 HydrophobicContact CG2-CD1 4.13Å; I76-I79 HydrophobicContact CG2-CG1 3.52Å; I79-V92 HydrophobicContact CG2-CG1 4.28Å; I79-S93 CarbonylContact C-O 3.58Å; I79-S93 WeakPolarHBondContact CA-O 3.09Å; I79-V94 HydrophobicContact CG1-CG1 4.35Å; I79-V94 HydrophobicContact CG2-CG1 4.26Å
80H93.3Very high87.3Confident49 Ų4950.7 Ų50.723%0.22727%0.266CS..EExtended strand (participates in β ladder)trans-134.4146.3-177.5-62.1-81.7000110.2I12 E78 V92 S93I12-H80 HydrophobicContact CD1-CB 3.45Å; I12-H80 VanDerWaalsContact CD1-CB 3.45Å; I12-H80 HydrophobicContact CG1-CB 3.87Å; I12-H80 HydrophobicContact CG2-CB 4.33Å; I12-H80 VanDerWaalsContact CG2-CD2 3.41Å; I12-H80 WeakPolarHBondContact CG2-CD2 3.47Å; E78-H80 WeakPolarHBondContact CB-NE2 2.76Å; E78-H80 IonicContact OE2-CD2 2.8Å; E78-H80 IonicContact OE2-CE1 2.78Å; E78-H80 IonicContact OE2-NE2 3.28Å; E78-H80 PolarHBondContact OE2-NE2 3.17Å; H80-V92 CarbonylContact O-C 3.54Å; H80-V92 WeakPolarHBondContact O-CA 3.45Å; H80-S93 PolarHBondContact N-O 3.39Å; H80-S93 PolarHBondContact O-N 2.97Å
81M91.6Very high87.6Confident53 Ų5351.1 Ų51.126%0.26127%0.267SS..EExtended strand (participates in β ladder)trans-115.8135.7171.3-165.9-173.5-4800108.9L52 Y56 F59 Y91 V92L52-M81 HydrophobicContact CD1-SD 4.36Å; Y56-M81 HydrophobicContact CD1-CE 3.58Å; Y56-M81 HydrophobicContact CD1-SD 4.28Å; Y56-M81 HydrophobicContact CE1-CE 3.83Å; Y56-M81 HydrophobicContact CE1-SD 4.16Å; Y56-M81 HydrophobicContact CG-CE 4.18Å; F59-M81 HydrophobicContact CB-CE 3.52Å; F59-M81 HydrophobicContact CD1-CE 4.27Å; F59-M81 HydrophobicContact CD2-CB 4.22Å; F59-M81 HydrophobicContact CD2-CE 3.99Å; F59-M81 HydrophobicContact CG-CE 3.68Å; M81-Y91 WeakPolarHBondContact CA-O 3.09Å; M81-V92 HydrophobicContact CG-CG2 4.39Å
82S90.4Very high88.1Confident13 Ų1348.4 Ų48.49%0.09125%0.25CC..EExtended strand (participates in β ladder)trans-143.8152.8-18061.80000111H8 M9 Y91H8-S82 PolarHBondContact CD2-OG 2.85Å; M9-S82 PolarHBondContact SD-OG 2.88Å; S82-Y91 PolarHBondContact N-O 2.92Å; S82-Y91 PolarHBondContact O-N 3.4Å
83M88.4Confident88.3Confident107 Ų10747.4 Ų47.453%0.52725%0.245SC..EExtended strand (participates in β ladder)trans-118.7129.6174.5-176.1-179.170.500108.4H8 P85 A89 I90H8-M83 WeakPolarHBondContact CB-O 3.3Å; M83-P85 VanDerWaalsContact O-CD 3.31Å; M83-P85 WeakPolarHBondContact O-CD 3.35Å; M83-A89 WeakPolarHBondContact CA-O 3.43Å; M83-I90 HydrophobicContact CB-CG1 4.49Å; M83-I90 HydrophobicContact CG-CG1 4.15Å
84N85.2Confident88.6Confident6 Ų646.5 Ų46.53%0.03224%0.24CC..  trans-78.1114.5174.4-176-11000109.5D5 K86 N87 S88 A89 Y91D5-N84 PolarHBondContact O-ND2 3.49Å; N84-K86 PolarHBondContact O-N 3.3Å; N84-K86 PolarHBondContact OD1-N 2.89Å; N84-K86 VanDerWaalsContact OD1-N 3.1Å; N84-N87 WeakPolarHBondContact CB-OD1 3.27Å; N84-N87 PolarHBondContact ND2-OD1 3.27Å; N84-S88 WeakPolarHBondContact O-CA 3.43Å; N84-S88 PolarHBondContact O-N 3.04Å; N84-A89 PolarHBondContact N-O 3.37Å; N84-Y91 HydrophobicContact CB-CE2 3.99Å
85P82.7Confident88.8Confident98 Ų9845.7 Ų45.764%0.63624%0.235SC*.THydrogen-bonded Turntrans-68.7-17.3-17528.5-36.2000113.5M83M83-P85 VanDerWaalsContact O-CD 3.31Å; M83-P85 WeakPolarHBondContact O-CD 3.35Å
86K82.3Confident89.1Confident119 Ų11940.1 Ų40.152%0.51721%0.214SC..THydrogen-bonded Turntrans-77-37.8-178.1-72.3179.4169.61720113.2Q4 D5 N84Q4-K86 PolarHBondContact O-NZ 3.02Å; D5-K86 IonicContact OD1-NZ 2.86Å; D5-K86 PolarHBondContact OD1-NZ 3.38Å; N84-K86 PolarHBondContact O-N 3.3Å; N84-K86 PolarHBondContact OD1-N 2.89Å; N84-K86 VanDerWaalsContact OD1-N 3.1Å
87N83.8Confident89.2Confident93 Ų9342.3 Ų42.350%0.49723%0.23SC..THydrogen-bonded Turntrans-127.65.8-173.965.3-4000112.8N84 A89N84-N87 WeakPolarHBondContact CB-OD1 3.27Å; N84-N87 PolarHBondContact ND2-OD1 3.27Å; N87-A89 PolarHBondContact O-N 2.85Å; N87-A89 VanDerWaalsContact OD1-CB 3.25Å; N87-A89 WeakPolarHBondContact OD1-CB 3.28Å; N87-A89 PolarHBondContact OD1-N 3.02Å
88S82.8Confident89.4Confident83 Ų8342.1 Ų42.158%0.5823%0.225SC*.  trans55.817.7-175.7-59.30000114.6N84N84-S88 WeakPolarHBondContact O-CA 3.43Å; N84-S88 PolarHBondContact O-N 3.04Å
89A84.3Confident89.4Confident14 Ų1440.1 Ų40.112%0.11622%0.216CC..  trans-71.6136177.900000110.3M83 N84 N87 Y91M83-A89 WeakPolarHBondContact CA-O 3.43Å; N84-A89 PolarHBondContact N-O 3.37Å; N87-A89 PolarHBondContact O-N 2.85Å; N87-A89 VanDerWaalsContact OD1-CB 3.25Å; N87-A89 WeakPolarHBondContact OD1-CB 3.28Å; N87-A89 PolarHBondContact OD1-N 3.02Å; A89-Y91 HydrophobicContact CB-CE2 3.74Å
90I87.7Confident89.3Confident17 Ų1745.7 Ų45.79%0.08725%0.246CC..EExtended strand (participates in β ladder)trans-102.4136.7-176.1-64170.4000108.3C49 L52 M83C49-I90 HydrophobicContact CB-CB 4.19Å; C49-I90 HydrophobicContact CB-CG2 4.08Å; C49-I90 PolarHBondContact N-O 3Å; L52-I90 HydrophobicContact CB-CD1 3.51Å; L52-I90 HydrophobicContact CD1-CD1 3.86Å; L52-I90 HydrophobicContact CG-CD1 4.27Å; L52-I90 VanDerWaalsContact N-CD1 3.26Å; M83-I90 HydrophobicContact CB-CG1 4.49Å; M83-I90 HydrophobicContact CG-CG1 4.15Å
91Y89.7Confident89.3Confident21 Ų2144.9 Ų44.98%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-126.4135.2-178.6-64.7-86.5000111.2H8 M46 I47 E48 M81 S82 N84 A89H8-Y91 AromaticContact NE2-CD2 3.87Å; M46-Y91 HydrophobicContact CB-CD1 4.47Å; M46-Y91 HydrophobicContact CE-CD1 4.25Å; M46-Y91 HydrophobicContact CE-CG 4.22Å; I47-Y91 CarbonylContact O-C 3.42Å; I47-Y91 WeakPolarHBondContact O-CA 3.49Å; E48-Y91 HydrophobicContact CB-CD1 4.01Å; E48-Y91 HydrophobicContact CB-CE1 3.6Å; E48-Y91 HydrophobicContact CG-CD1 4.38Å; E48-Y91 HydrophobicContact CG-CE1 3.74Å; M81-Y91 WeakPolarHBondContact CA-O 3.09Å; S82-Y91 PolarHBondContact N-O 2.92Å; S82-Y91 PolarHBondContact O-N 3.4Å; N84-Y91 HydrophobicContact CB-CE2 3.99Å; A89-Y91 HydrophobicContact CB-CE2 3.74Å
92V92.1Very high89.4Confident0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-104.4123.7161.31780000108I47 G55 L58 F62 I79 H80 M81I47-V92 WeakPolarHBondContact CB-O 3.47Å; I47-V92 PolarHBondContact N-O 3.42Å; I47-V92 PolarHBondContact O-N 3.16Å; G55-V92 WeakPolarHBondContact O-CG2 3.25Å; L58-V92 HydrophobicContact CB-CG2 4.23Å; F62-V92 HydrophobicContact CD2-CG1 3.52Å; F62-V92 HydrophobicContact CE2-CG1 3.63Å; I79-V92 HydrophobicContact CG2-CG1 4.28Å; H80-V92 CarbonylContact O-C 3.54Å; H80-V92 WeakPolarHBondContact O-CA 3.45Å; M81-V92 HydrophobicContact CG-CG2 4.39Å
93S93.1Very high89.6Confident0 Ų045.3 Ų45.30%025%0.25CS..EExtended strand (participates in β ladder)trans-117.4127-172-69.60000110.4M9 K45 I79 H80M9-S93 WeakPolarHBondContact CE-OG 3.49Å; K45-S93 CarbonylContact O-C 3.42Å; K45-S93 VanDerWaalsContact O-CA 3.31Å; K45-S93 WeakPolarHBondContact O-CA 3.25Å; I79-S93 CarbonylContact C-O 3.58Å; I79-S93 WeakPolarHBondContact CA-O 3.09Å; H80-S93 PolarHBondContact N-O 3.39Å; H80-S93 PolarHBondContact O-N 2.97Å
94V92.9Very high89.8Confident2 Ų240.3 Ų40.31%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-118.5135.9178.7-62.70000111.3L44 K45 F62 I76 E78 I79 W164L44-V94 CarbonylContact C-O 3.49Å; L44-V94 WeakPolarHBondContact CA-O 3.42Å; K45-V94 HydrophobicContact CB-CG2 3.71Å; K45-V94 HydrophobicContact CG-CG2 4.44Å; K45-V94 PolarHBondContact N-O 3.36Å; K45-V94 PolarHBondContact O-N 3.09Å; F62-V94 HydrophobicContact CD1-CG1 3.75Å; F62-V94 HydrophobicContact CD2-CG1 3.9Å; F62-V94 HydrophobicContact CE1-CG1 3.72Å; F62-V94 HydrophobicContact CE2-CG1 3.89Å; F62-V94 HydrophobicContact CG-CG1 3.83Å; F62-V94 HydrophobicContact CZ-CG1 3.77Å; I76-V94 HydrophobicContact CG2-CB 4.4Å; E78-V94 WeakPolarHBondContact O-CA 3.42Å; I79-V94 HydrophobicContact CG1-CG1 4.35Å; I79-V94 HydrophobicContact CG2-CG1 4.26Å; V94-W164 HydrophobicContact CG2-CH2 3.88Å; V94-W164 HydrophobicContact CG2-CZ3 4.34Å
95I93.7Very high90.1Very high0 Ų041.1 Ų41.10%023%0.23CC..EExtended strand (participates in β ladder)trans-112.8130.7176.5-58.2179.5000109.4I12 Y16 L33 F42 V43 L44 L77 E78I12-I95 HydrophobicContact CG2-CD1 4.23Å; Y16-I95 HydrophobicContact CD2-CD1 4.37Å; Y16-I95 HydrophobicContact CE2-CD1 3.92Å; L33-I95 HydrophobicContact CD1-CD1 4.09Å; L33-I95 HydrophobicContact CD1-CG1 4.39Å; F42-I95 HydrophobicContact CB-CG2 3.97Å; F42-I95 HydrophobicContact CD1-CG2 4.31Å; F42-I95 HydrophobicContact CG-CG2 4.39Å; V43-I95 WeakPolarHBondContact O-CA 3.49Å; L44-I95 HydrophobicContact CD1-CG1 3.92Å; L77-I95 PolarHBondContact N-O 3Å; E78-I95 HydrophobicContact CB-CB 4.11Å; E78-I95 HydrophobicContact CB-CD1 4.43Å; E78-I95 HydrophobicContact CB-CG1 4.49Å; E78-I95 PolarHBondContact N-O 3.39Å; E78-I95 PolarHBondContact O-N 3.42Å
96R92.7Very high90.6Very high15 Ų1542 Ų426%0.05722%0.223CC..EExtended strand (participates in β ladder)trans-141162.7176.958.5-179.5169.785.6-9.7111F42 V43 P74 R75 T161 D162F42-R96 CarbonylContact C-O 3.29Å; F42-R96 VanDerWaalsContact CA-O 3.29Å; F42-R96 WeakPolarHBondContact CA-O 3.3Å; F42-R96 WeakPolarHBondContact CB-O 3.36Å; V43-R96 HydrophobicContact CB-CG 4.24Å; V43-R96 PolarHBondContact N-O 3.29Å; V43-R96 PolarHBondContact O-N 3.16Å; P74-R96 HydrophobicContact CB-CB 4.37Å; R75-R96 WeakPolarHBondContact O-CB 3.35Å; R96-T161 PolarHBondContact NE-OG1 2.84Å; R96-T161 PolarHBondContact NH1-OG1 3.09Å; R96-T161 VanDerWaalsContact NH1-OG1 3.14Å; R96-T161 PolarHBondContact NH2-OG1 3.49Å; R96-D162 IonicContact CZ-OD1 3.96Å; R96-D162 IonicContact NH2-OD1 2.68Å; R96-D162 PolarHBondContact NH2-OD1 3.49Å
97S91.8Very high91.1Very high56 Ų5636.9 Ų36.939%0.39220%0.202SC..EExtended strand (participates in β ladder)trans-57.3142174.3-56.90000111.7
98Y93.9Very high91.6Very high67 Ų6732.6 Ų32.626%0.26318%0.179SC..  trans-70.8134.5173.1177.8-97.4000110.4K32 Y41 V43 D100K32-Y98 HydrophobicContact CD-CD2 4.26Å; K32-Y98 HydrophobicContact CD-CE2 3.9Å; K32-Y98 HydrophobicContact CG-CD2 4.13Å; K32-Y98 HydrophobicContact CG-CE2 4.23Å; Y41-Y98 VanDerWaalsContact C-CB 3.44Å; Y41-Y98 VanDerWaalsContact O-CB 3.22Å; Y41-Y98 WeakPolarHBondContact O-CB 3.41Å; Y41-Y98 PolarHBondContact O-N 3.1Å; V43-Y98 HydrophobicContact CG2-CD2 3.76Å; Y98-D100 HydrophobicContact CD1-CB 4.18Å; Y98-D100 HydrophobicContact CE1-CB 4Å
99I92.3Very high92Very high9 Ų933.1 Ų33.15%0.04617%0.171CC..  trans-89.7109.4174.4-61.4162.7000108P74 L101 F152 F159P74-I99 HydrophobicContact CG-CD1 3.6Å; P74-I99 HydrophobicContact CG-CG1 3.67Å; I99-L101 HydrophobicContact CG2-CB 3.87Å; I99-L101 HydrophobicContact CG2-CD1 4.48Å; I99-L101 HydrophobicContact CG2-CG 4.2Å; I99-L101 PolarHBondContact O-N 2.95Å; I99-L101 VanDerWaalsContact O-N 3.1Å; I99-F152 HydrophobicContact CB-CD1 4.15Å; I99-F152 HydrophobicContact CB-CG 4.26Å; I99-F152 HydrophobicContact CD1-CB 4.41Å; I99-F152 HydrophobicContact CD1-CD2 3.68Å; I99-F152 HydrophobicContact CD1-CE2 4.07Å; I99-F152 HydrophobicContact CD1-CG 3.95Å; I99-F152 HydrophobicContact CG2-CB 3.6Å; I99-F152 HydrophobicContact CG2-CD1 3.78Å; I99-F152 HydrophobicContact CG2-CG 3.74Å; I99-F159 HydrophobicContact CD1-CB 3.67Å; I99-F159 HydrophobicContact CD1-CG 4.36Å; I99-F159 HydrophobicContact CG1-CB 4.05Å; I99-F159 HydrophobicContact CG1-CD2 4.49Å; I99-F159 HydrophobicContact CG1-CG 4.2Å; I99-F159 HydrophobicContact CG2-CB 4.11Å; I99-F159 HydrophobicContact CG2-CD2 3.73Å; I99-F159 HydrophobicContact CG2-CG 4.16Å
100D91.1Very high92.4Very high138 Ų13835.7 Ų35.774%0.73818%0.182SC*.  trans-86.458.1176.2-166.933.3000111.8Y98Y98-D100 HydrophobicContact CD1-CB 4.18Å; Y98-D100 HydrophobicContact CE1-CB 4Å
101L92.8Very high92.6Very high31 Ų3136.1 Ų36.116%0.16219%0.185CC..SBendtrans-139.5156.4175-67.1-175.8000109.2I99 F152 S154 G157 F159I99-L101 HydrophobicContact CG2-CB 3.87Å; I99-L101 HydrophobicContact CG2-CD1 4.48Å; I99-L101 HydrophobicContact CG2-CG 4.2Å; I99-L101 PolarHBondContact O-N 2.95Å; I99-L101 VanDerWaalsContact O-N 3.1Å; L101-F152 HydrophobicContact CB-CB 4.15Å; L101-F152 WeakPolarHBondContact O-CD1 3.43Å; L101-S154 WeakPolarHBondContact CD2-OG 3.27Å; L101-G157 WeakPolarHBondContact CD1-O 3.46Å; L101-F159 HydrophobicContact CD1-CD2 3.77Å; L101-F159 HydrophobicContact CD1-CE2 4.13Å
102P94.1Very high92.7Very high50 Ų5035.4 Ų35.433%0.32518%0.183SC..  trans-69.6144.8172.128.3-32.4000111F106 I107 F152 L153P102-F106 HydrophobicContact CB-CD1 3.72Å; P102-F106 HydrophobicContact CB-CE1 4.35Å; P102-F106 HydrophobicContact CB-CG 4.5Å; P102-I107 HydrophobicContact CB-CG1 4.2Å; P102-I107 HydrophobicContact CG-CD1 4.21Å; P102-I107 HydrophobicContact CG-CG1 4.19Å; P102-F152 WeakPolarHBondContact O-CA 3.4Å; P102-L153 WeakPolarHBondContact CG-O 3.42Å; P102-L153 PolarHBondContact O-N 2.92Å; P102-L153 VanDerWaalsContact O-N 3.09Å
103S93.3Very high92.5Very high26 Ų2640.3 Ų40.318%0.18221%0.205CC..BIsolated β-bridgetrans-71.6155.1170.267.40000110.7D105 F106 I107 I151S103-D105 PolarHBondContact O-N 3.26Å; S103-F106 WeakPolarHBondContact O-CB 3.03Å; S103-F106 PolarHBondContact O-N 3.44Å; S103-F106 VanDerWaalsContact O-N 3.09Å; S103-F106 PolarHBondContact OG-N 3.5Å; S103-I107 WeakPolarHBondContact O-CG1 3.42Å; S103-I107 PolarHBondContact O-N 2.72Å; S103-I151 CarbonylContact C-O 3.57Å; S103-I151 VanDerWaalsContact CA-O 3.23Å; S103-I151 WeakPolarHBondContact CA-O 3.45Å
104L93.9Very high92.4Very high1 Ų146.3 Ų46.31%0.00523%0.232CC..Hα-helixtrans-66-31.1176.8-167.367.7000111.2F106 I107 I108 P148 I151 V236 L240L104-F106 VanDerWaalsContact C-N 3.32Å; L104-F106 PolarHBondContact O-N 3.28Å; L104-I107 HydrophobicContact CD1-CB 4.35Å; L104-I107 HydrophobicContact CD1-CD1 4.17Å; L104-I107 HydrophobicContact CD1-CG2 4.48Å; L104-I107 PolarHBondContact O-N 2.94Å; L104-I108 HydrophobicContact CG-CD1 4.11Å; L104-I108 HydrophobicContact CG-CG1 4.43Å; L104-I108 WeakPolarHBondContact O-CB 3.24Å; L104-I108 WeakPolarHBondContact O-CD1 3.07Å; L104-I108 WeakPolarHBondContact O-CG1 3.23Å; L104-I108 PolarHBondContact O-N 2.86Å; L104-P148 HydrophobicContact CB-CB 4.04Å; L104-P148 WeakPolarHBondContact CB-O 3.27Å; L104-P148 HydrophobicContact CD2-CB 4.27Å; L104-P148 HydrophobicContact CG-CB 4.26Å; L104-P148 PolarHBondContact N-O 2.87Å; L104-I151 HydrophobicContact CB-CB 3.92Å; L104-I151 HydrophobicContact CB-CG2 4.15Å; L104-I151 HydrophobicContact CD2-CB 4.32Å; L104-I151 HydrophobicContact CD2-CD1 3.82Å; L104-I151 HydrophobicContact CD2-CG2 4.27Å; L104-I151 PolarHBondContact N-O 3.3Å; L104-V236 HydrophobicContact CD2-CG1 3.39Å; L104-L240 HydrophobicContact CD1-CD1 3.96Å; L104-L240 HydrophobicContact CD1-CD2 3.66Å; L104-L240 HydrophobicContact CD1-CG 4.42Å; L104-L240 HydrophobicContact CD2-CD1 4.19Å; L104-L240 HydrophobicContact CD2-CD2 4.36Å; L104-L240 HydrophobicContact CG-CD2 4.11Å
105D91.5Very high92.2Very high23 Ų2348.7 Ų48.712%0.12325%0.248CC..Hα-helixtrans-57.6-43.9169.9-174.287.2000111.9S103 K109 P148S103-D105 PolarHBondContact O-N 3.26Å; D105-K109 WeakPolarHBondContact O-CG 3.1Å; D105-K109 PolarHBondContact O-N 3.12Å; D105-K109 IonicContact OD1-NZ 2.82Å; D105-K109 PolarHBondContact OD1-NZ 3.43Å; D105-K109 WeakPolarHBondContact OD2-CE 3.47Å; D105-K109 IonicContact OD2-NZ 3.64Å; D105-K109 PolarHBondContact OD2-NZ 3.24Å; D105-P148 HydrophobicContact CB-CB 4.21Å; D105-P148 PolarHBondContact N-O 2.59Å; D105-P148 VanDerWaalsContact N-O 3.13Å
106F92.6Very high92Very high116 Ų11654.4 Ų54.451%0.50927%0.27SS..Hα-helixtrans-65.1-46.5174.2176.9-90.6000111.6P102 S103 L104 I108 K109 D110P102-F106 HydrophobicContact CB-CD1 3.72Å; P102-F106 HydrophobicContact CB-CE1 4.35Å; P102-F106 HydrophobicContact CB-CG 4.5Å; S103-F106 WeakPolarHBondContact O-CB 3.03Å; S103-F106 PolarHBondContact O-N 3.44Å; S103-F106 VanDerWaalsContact O-N 3.09Å; S103-F106 PolarHBondContact OG-N 3.5Å; L104-F106 VanDerWaalsContact C-N 3.32Å; L104-F106 PolarHBondContact O-N 3.28Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 3.31Å; F106-K109 PolarHBondContact O-N 3.27Å; F106-D110 HydrophobicContact CE1-CB 4.24Å; F106-D110 HydrophobicContact CZ-CB 4.44Å; F106-D110 VanDerWaalsContact O-CB 3.3Å; F106-D110 WeakPolarHBondContact O-CB 3.24Å; F106-D110 PolarHBondContact O-N 3.28Å
107I93.7Very high92Very high13 Ų1354.8 Ų54.87%0.06727%0.273CS..Hα-helixtrans-58.6-43.6178.5-66169.1000110.8P102 S103 L104 D110 N111 L117 L153P102-I107 HydrophobicContact CB-CG1 4.2Å; P102-I107 HydrophobicContact CG-CD1 4.21Å; P102-I107 HydrophobicContact CG-CG1 4.19Å; S103-I107 WeakPolarHBondContact O-CG1 3.42Å; S103-I107 PolarHBondContact O-N 2.72Å; L104-I107 HydrophobicContact CD1-CB 4.35Å; L104-I107 HydrophobicContact CD1-CD1 4.17Å; L104-I107 HydrophobicContact CD1-CG2 4.48Å; L104-I107 PolarHBondContact O-N 2.94Å; I107-D110 PolarHBondContact O-N 2.99Å; I107-N111 WeakPolarHBondContact O-CB 3.29Å; I107-N111 PolarHBondContact O-N 2.95Å; I107-N111 PolarHBondContact O-ND2 3.45Å; I107-L117 HydrophobicContact CG2-CD1 3.93Å; I107-L117 HydrophobicContact CG2-CD2 3.85Å; I107-L153 HydrophobicContact CD1-CB 4.26Å; I107-L153 WeakPolarHBondContact CD1-O 3.45Å
108I92.9Very high92Very high2 Ų258.1 Ų58.11%0.0128%0.282CS..Hα-helixtrans-58.7-56.2177.3-72.4164.7000109.6L104 F106 D110 N111 I112 P148 W214 I239 L240 I243 E251L104-I108 HydrophobicContact CG-CD1 4.11Å; L104-I108 HydrophobicContact CG-CG1 4.43Å; L104-I108 WeakPolarHBondContact O-CB 3.24Å; L104-I108 WeakPolarHBondContact O-CD1 3.07Å; L104-I108 WeakPolarHBondContact O-CG1 3.23Å; L104-I108 PolarHBondContact O-N 2.86Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 3.31Å; I108-D110 VanDerWaalsContact C-N 3.27Å; I108-D110 PolarHBondContact O-N 2.83Å; I108-N111 PolarHBondContact O-N 3.38Å; I108-I112 HydrophobicContact CG2-CD1 3.8Å; I108-I112 HydrophobicContact CG2-CG1 4.29Å; I108-I112 WeakPolarHBondContact O-CG1 3.3Å; I108-I112 PolarHBondContact O-N 2.89Å; I108-P148 HydrophobicContact CD1-CB 3.83Å; I108-P148 HydrophobicContact CD1-CG 3.88Å; I108-W214 HydrophobicContact CD1-CH2 3.91Å; I108-W214 HydrophobicContact CD1-CZ3 4.48Å; I108-I239 HydrophobicContact CD1-CG2 4.28Å; I108-I239 HydrophobicContact CG1-CG2 4.49Å; I108-I239 HydrophobicContact CG2-CG2 4.48Å; I108-L240 HydrophobicContact CD1-CD2 4.18Å; I108-L240 HydrophobicContact CG1-CD2 3.73Å; I108-I243 HydrophobicContact CB-CD1 4.39Å; I108-I243 HydrophobicContact CG1-CD1 4.36Å; I108-E251 HydrophobicContact CG2-CB 4.28Å
109K92Very high92Very high95 Ų9557.9 Ų57.941%0.41328%0.281SS..Hα-helixtrans-61.6-34.5-178.9-72.9170.3-179.3162.80113.4D105 F106D105-K109 WeakPolarHBondContact O-CG 3.1Å; D105-K109 PolarHBondContact O-N 3.12Å; D105-K109 IonicContact OD1-NZ 2.82Å; D105-K109 PolarHBondContact OD1-NZ 3.43Å; D105-K109 WeakPolarHBondContact OD2-CE 3.47Å; D105-K109 IonicContact OD2-NZ 3.64Å; D105-K109 PolarHBondContact OD2-NZ 3.24Å; F106-K109 PolarHBondContact O-N 3.27Å
110D92.1Very high91.9Very high67 Ų6760.2 Ų60.236%0.35830%0.298SS..Hα-helixtrans-78.8-26.6-178.8-168.150.3000113.2F106 I107 I108 K114F106-D110 HydrophobicContact CE1-CB 4.24Å; F106-D110 HydrophobicContact CZ-CB 4.44Å; F106-D110 VanDerWaalsContact O-CB 3.3Å; F106-D110 WeakPolarHBondContact O-CB 3.24Å; F106-D110 PolarHBondContact O-N 3.28Å; I107-D110 PolarHBondContact O-N 2.99Å; I108-D110 VanDerWaalsContact C-N 3.27Å; I108-D110 PolarHBondContact O-N 2.83Å; D110-K114 WeakPolarHBondContact O-CD 3.38Å; D110-K114 WeakPolarHBondContact O-CE 3.26Å; D110-K114 PolarHBondContact O-NZ 3.21Å; D110-K114 IonicContact OD1-NZ 3.45Å; D110-K114 PolarHBondContact OD1-NZ 3.41Å
111N92.9Very high91.9Very high26 Ų2654.6 Ų54.614%0.13927%0.268CS..Hα-helixtrans-103-11.2-177-74.3-92.3000114.6I107 I108 E113 K114 S115 I243I107-N111 WeakPolarHBondContact O-CB 3.29Å; I107-N111 PolarHBondContact O-N 2.95Å; I107-N111 PolarHBondContact O-ND2 3.45Å; I108-N111 PolarHBondContact O-N 3.38Å; N111-E113 PolarHBondContact O-N 3.39Å; N111-K114 PolarHBondContact O-N 3.17Å; N111-S115 PolarHBondContact O-N 2.97Å; N111-S115 PolarHBondContact OD1-OG 3.07Å; N111-I243 HydrophobicContact CB-CD1 3.51Å; N111-I243 HydrophobicContact CB-CG1 4.14Å
112I91.3Very high92Very high7 Ų753.3 Ų53.34%0.03626%0.261CS..THydrogen-bonded Turntrans-52.7134.4173.2-78.6164000110.5I108 K114 I243 L246 F247 K248 E251I108-I112 HydrophobicContact CG2-CD1 3.8Å; I108-I112 HydrophobicContact CG2-CG1 4.29Å; I108-I112 WeakPolarHBondContact O-CG1 3.3Å; I108-I112 PolarHBondContact O-N 2.89Å; I112-K114 PolarHBondContact O-N 2.91Å; I112-I243 WeakPolarHBondContact CA-O 3.41Å; I112-I243 HydrophobicContact CG1-CG1 3.98Å; I112-L246 HydrophobicContact CG1-CB 4.39Å; I112-F247 VanDerWaalsContact CG2-C 3.46Å; I112-K248 HydrophobicContact CG2-CB 4.26Å; I112-E251 HydrophobicContact CD1-CB 4.12Å
113E88.9Confident92Very high102 Ų10253.3 Ų53.348%0.47726%0.255SS..THydrogen-bonded Turntrans60.5-2.9-176.3-61.6174.9175.900115.7N111 L246 F247 K248N111-E113 PolarHBondContact O-N 3.39Å; E113-L246 WeakPolarHBondContact CG-O 3.5Å; E113-F247 WeakPolarHBondContact OE1-CA 3.34Å; E113-K248 PolarHBondContact OE1-N 3.1Å
114K90.1Very high91.8Very high127 Ų12755.9 Ų55.955%0.55226%0.26SS*.THydrogen-bonded Turntrans-101.2-72.4-174.7-59.7-170-158.11590112.5D110 N111 I112D110-K114 WeakPolarHBondContact O-CD 3.38Å; D110-K114 WeakPolarHBondContact O-CE 3.26Å; D110-K114 PolarHBondContact O-NZ 3.21Å; D110-K114 IonicContact OD1-NZ 3.45Å; D110-K114 PolarHBondContact OD1-NZ 3.41Å; N111-K114 PolarHBondContact O-N 3.17Å; I112-K114 PolarHBondContact O-N 2.91Å
115S88.9Confident91.8Very high51 Ų5155.8 Ų55.836%0.35726%0.26SS..  trans-137.3147.6-166.633.50000111N111 I243N111-S115 PolarHBondContact O-N 2.97Å; N111-S115 PolarHBondContact OD1-OG 3.07Å; S115-I243 WeakPolarHBondContact O-CG2 3.27Å
116R89.8Confident92Very high120 Ų12054.7 Ų54.745%0.45325%0.254SS..PPolyproline II helixtrans-72145.7165.6-69.4-179.4175.2-168.4-9.8108.3K244 E273R116-K244 HydrophobicContact CG-CB 3.9Å; R116-K244 HydrophobicContact CG-CD 3.84Å; R116-E273 IonicContact CZ-OE2 3.6Å; R116-E273 IonicContact NH1-OE2 3.71Å; R116-E273 PolarHBondContact NH1-OE2 3.32Å; R116-E273 IonicContact NH2-OE2 3.78Å; R116-E273 PolarHBondContact NH2-OE2 3.47Å
117L92.3Very high92Very high23 Ų2349.2 Ų49.212%0.1223%0.23CC..PPolyproline II helixtrans-76.4149.7168.6-68.9175.1000110.1I107 L121 I122 L240 I243I107-L117 HydrophobicContact CG2-CD1 3.93Å; I107-L117 HydrophobicContact CG2-CD2 3.85Å; L117-L121 HydrophobicContact CD2-CD2 4.22Å; L117-I122 HydrophobicContact CB-CD1 4.47Å; L117-I122 HydrophobicContact CB-CG1 4.4Å; L117-L240 HydrophobicContact CD1-CB 4.08Å; L117-L240 HydrophobicContact CD1-CD2 3.63Å; L117-L240 HydrophobicContact CD1-CG 4.28Å; L117-I243 HydrophobicContact CD1-CD1 4.37Å; L117-I243 HydrophobicContact CG-CG2 4.32Å
118E92.7Very high92Very high126 Ų12648.6 Ų48.659%0.58923%0.227SC*.PPolyproline II helixtrans-64.4137.6172.9-62.3-169.5173.900110.8S120 L121 I122E118-S120 WeakPolarHBondContact CB-OG 3.38Å; E118-S120 PolarHBondContact O-N 3.05Å; E118-S120 PolarHBondContact OE2-OG 3.07Å; E118-S120 VanDerWaalsContact OE2-OG 3.11Å; E118-L121 WeakPolarHBondContact O-CB 3.42Å; E118-L121 PolarHBondContact O-N 2.89Å; E118-I122 PolarHBondContact O-N 3.23Å
119W92.6Very high91.9Very high63 Ų6348.5 Ų48.524%0.23923%0.226CC..Hα-helixtrans-57.4-35.8176.8-70.8107.6000112.6L121 I122 Y123 I241 E273 H277 L280 F281W119-L121 PolarHBondContact O-N 3.18Å; W119-I122 HydrophobicContact CE3-CD1 4.04Å; W119-I122 HydrophobicContact CZ3-CD1 4.26Å; W119-I122 PolarHBondContact O-N 3.04Å; W119-Y123 HydrophobicContact CB-CD2 4.26Å; W119-Y123 HydrophobicContact CB-CE2 3.79Å; W119-Y123 WeakPolarHBondContact O-CB 3.22Å; W119-Y123 WeakPolarHBondContact O-CD2 3.4Å; W119-Y123 VanDerWaalsContact O-CG 3.26Å; W119-Y123 PolarHBondContact O-N 3.39Å; W119-I241 HydrophobicContact CH2-CD1 4.35Å; W119-I241 HydrophobicContact CH2-CG1 4.06Å; W119-I241 HydrophobicContact CH2-CG2 4.03Å; W119-I241 HydrophobicContact CZ3-CD1 4.14Å; W119-I241 HydrophobicContact CZ3-CG1 3.91Å; W119-E273 HydrophobicContact CH2-CG 4.38Å; W119-E273 HydrophobicContact CZ2-CG 3.73Å; W119-E273 WeakPolarHBondContact CZ2-OE1 2.86Å; W119-H277 AromaticContact CD1-NE2 3.5Å; W119-H277 AromaticContact CD2-CD2 3.63Å; W119-H277 AromaticContact CD2-CE1 3.83Å; W119-H277 AromaticContact CD2-NE2 3.31Å; W119-H277 VanDerWaalsContact CD2-NE2 3.31Å; W119-H277 AromaticContact CE2-CD2 3.27Å; W119-H277 AromaticContact CE2-NE2 3.1Å; W119-H277 AromaticContact CE3-CD2 3.87Å; W119-H277 AromaticContact CE3-NE2 3.94Å; W119-H277 AromaticContact CG-CE1 3.92Å; W119-H277 AromaticContact CG-NE2 3.6Å; W119-H277 HydrophobicContact CH2-CB 4.45Å; W119-H277 AromaticContact CH2-CD2 3.48Å; W119-H277 VanDerWaalsContact CH2-CD2 3.48Å; W119-H277 WeakPolarHBondContact CH2-CD2 2.95Å; W119-H277 AromaticContact CZ2-CD2 3.21Å; W119-H277 WeakPolarHBondContact CZ2-CD2 3.28Å; W119-H277 AromaticContact CZ2-NE2 3.61Å; W119-H277 HydrophobicContact CZ3-CB 4.42Å; W119-H277 AromaticContact CZ3-CD2 3.79Å; W119-H277 AromaticContact NE1-CD2 3.81Å; W119-H277 AromaticContact NE1-NE2 3.19Å; W119-H277 PolarHBondContact NE1-NE2 3.2Å; W119-H277 VanDerWaalsContact NE1-NE2 3.19Å; W119-L280 HydrophobicContact CZ3-CD2 3.92Å; W119-F281 HydrophobicContact CH2-CZ 4.39Å
120S90.6Very high92Very high58 Ų5844 Ų4441%0.40621%0.207SC..Hα-helixtrans-52.9-40.8174.158.80000112.2E118 R124E118-S120 WeakPolarHBondContact CB-OG 3.38Å; E118-S120 PolarHBondContact O-N 3.05Å; E118-S120 PolarHBondContact OE2-OG 3.07Å; E118-S120 VanDerWaalsContact OE2-OG 3.11Å; S120-R124 WeakPolarHBondContact O-CB 3.37Å; S120-R124 PolarHBondContact O-N 3.49Å
121L92.1Very high91.9Very high20 Ų2041.3 Ų41.311%0.10519%0.193CC..Hα-helixtrans-73.8-40.4-179.7-16366.7000111.4L117 E118 W119 R124 M125 L153L117-L121 HydrophobicContact CD2-CD2 4.22Å; E118-L121 WeakPolarHBondContact O-CB 3.42Å; E118-L121 PolarHBondContact O-N 2.89Å; W119-L121 PolarHBondContact O-N 3.18Å; L121-R124 PolarHBondContact O-N 3.32Å; L121-M125 WeakPolarHBondContact O-CB 3.49Å; L121-M125 PolarHBondContact O-N 3.5Å; L121-L153 HydrophobicContact CD1-CD1 3.76Å; L121-L153 HydrophobicContact CD1-CD2 3.94Å; L121-L153 HydrophobicContact CD1-CG 3.61Å; L121-L153 HydrophobicContact CD2-CD2 4.47Å; L121-L153 HydrophobicContact CG-CD2 3.8Å; L121-L153 HydrophobicContact CG-CG 4.02Å
122I94.1Very high91.6Very high3 Ų340.1 Ų40.12%0.01519%0.187CC..Hα-helixtrans-62.7-47.3175.8-61.5174.5000110.4L117 E118 W119 R124 M125 F126 I237 L240 I241L117-I122 HydrophobicContact CB-CD1 4.47Å; L117-I122 HydrophobicContact CB-CG1 4.4Å; E118-I122 PolarHBondContact O-N 3.23Å; W119-I122 HydrophobicContact CE3-CD1 4.04Å; W119-I122 HydrophobicContact CZ3-CD1 4.26Å; W119-I122 PolarHBondContact O-N 3.04Å; I122-R124 PolarHBondContact O-N 3.33Å; I122-M125 WeakPolarHBondContact O-CB 3.32Å; I122-M125 PolarHBondContact O-N 3.36Å; I122-F126 WeakPolarHBondContact O-CB 3.15Å; I122-F126 PolarHBondContact O-N 3.32Å; I122-I237 HydrophobicContact CG2-CG2 3.96Å; I122-L240 HydrophobicContact CG1-CB 4.33Å; I122-I241 HydrophobicContact CD1-CG1 4.03Å
123Y93.4Very high91.5Very high51 Ų5140.1 Ų40.120%0.219%0.187CC..Hα-helixtrans-62.2-43.4176.8-67.1-39.7000112.5W119 M125 F126 G127 H277 L280 Y306 L310W119-Y123 HydrophobicContact CB-CD2 4.26Å; W119-Y123 HydrophobicContact CB-CE2 3.79Å; W119-Y123 WeakPolarHBondContact O-CB 3.22Å; W119-Y123 WeakPolarHBondContact O-CD2 3.4Å; W119-Y123 VanDerWaalsContact O-CG 3.26Å; W119-Y123 PolarHBondContact O-N 3.39Å; Y123-M125 PolarHBondContact O-N 2.88Å; Y123-F126 PolarHBondContact O-N 3.35Å; Y123-G127 PolarHBondContact O-N 3.48Å; Y123-H277 AromaticContact CZ-ND1 4Å; Y123-H277 PolarHBondContact OH-CE1 3.45Å; Y123-H277 VanDerWaalsContact OH-CE1 3.28Å; Y123-H277 PolarHBondContact OH-ND1 3.3Å; Y123-L280 HydrophobicContact CE1-CD2 3.99Å; Y123-Y306 WeakPolarHBondContact CE1-OH 3.05Å; Y123-L310 HydrophobicContact CD1-CD1 4.21Å; Y123-L310 HydrophobicContact CG-CD1 4.22Å; Y123-L310 WeakPolarHBondContact O-CD1 3.3Å
124R90.5Very high91.3Very high79 Ų7936.3 Ų36.330%0.29817%0.171SC..Hα-helixtrans-58.5-49.3174.8-176.5-177.9-59.9-168.9-1.7111.2S120 L121 I122 F126 S128 L153 S154 D155S120-R124 WeakPolarHBondContact O-CB 3.37Å; S120-R124 PolarHBondContact O-N 3.49Å; L121-R124 PolarHBondContact O-N 3.32Å; I122-R124 PolarHBondContact O-N 3.33Å; R124-F126 VanDerWaalsContact C-N 3.34Å; R124-F126 PolarHBondContact O-N 2.9Å; R124-S128 WeakPolarHBondContact O-CB 3.39Å; R124-S128 PolarHBondContact O-N 3.04Å; R124-S128 PolarHBondContact O-OG 3.37Å; R124-L153 HydrophobicContact CG-CD1 4.23Å; R124-S154 PolarHBondContact NH1-O 2.91Å; R124-D155 VanDerWaalsContact NH1-CA 3.33Å; R124-D155 PolarHBondContact NH1-O 2.91Å
125M93.5Very high91Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-55.3-51.6177.1-168.5-80-62.900110.7L121 I122 Y123 S128 V129 I151 L153 F158 L233 V236 I237 L240L121-M125 WeakPolarHBondContact O-CB 3.49Å; L121-M125 PolarHBondContact O-N 3.5Å; I122-M125 WeakPolarHBondContact O-CB 3.32Å; I122-M125 PolarHBondContact O-N 3.36Å; Y123-M125 PolarHBondContact O-N 2.88Å; M125-S128 PolarHBondContact O-N 3Å; M125-V129 WeakPolarHBondContact O-CB 3.34Å; M125-V129 WeakPolarHBondContact O-CG2 3.44Å; M125-V129 PolarHBondContact O-N 3.41Å; M125-V129 HydrophobicContact SD-CG2 3.72Å; M125-I151 HydrophobicContact CG-CG2 4.41Å; M125-L153 HydrophobicContact CB-CD2 3.62Å; M125-L153 HydrophobicContact CG-CD2 3.92Å; M125-F158 HydrophobicContact CG-CE2 4.28Å; M125-L233 HydrophobicContact CE-CD1 4.48Å; M125-L233 HydrophobicContact SD-CD1 4.17Å; M125-V236 HydrophobicContact CE-CG1 4.07Å; M125-V236 HydrophobicContact SD-CG1 4.43Å; M125-I237 HydrophobicContact CE-CB 4.35Å; M125-I237 HydrophobicContact CE-CD1 4.46Å; M125-I237 HydrophobicContact CE-CG1 3.38Å; M125-L240 HydrophobicContact CE-CD1 3.67Å; M125-L240 HydrophobicContact CG-CD1 4.46Å
126F95.1Very high90.6Very high0 Ų029.9 Ų29.90%014%0.141CC..Hα-helixtrans-59.5-53.7-177.1-178-163000112.1I122 Y123 R124 S128 V129 L130 L233 I237 L280 M287 L301 V307 L310I122-F126 WeakPolarHBondContact O-CB 3.15Å; I122-F126 PolarHBondContact O-N 3.32Å; Y123-F126 PolarHBondContact O-N 3.35Å; R124-F126 VanDerWaalsContact C-N 3.34Å; R124-F126 PolarHBondContact O-N 2.9Å; F126-S128 PolarHBondContact O-N 2.83Å; F126-V129 PolarHBondContact O-N 3.43Å; F126-L130 HydrophobicContact CD2-CD1 3.82Å; F126-L130 HydrophobicContact CD2-CG 3.98Å; F126-L130 HydrophobicContact CE2-CD1 3.39Å; F126-L130 HydrophobicContact CE2-CD2 4.27Å; F126-L130 HydrophobicContact CE2-CG 3.8Å; F126-L130 HydrophobicContact CZ-CD1 3.98Å; F126-L130 WeakPolarHBondContact O-CG 3.45Å; F126-L130 PolarHBondContact O-N 3.28Å; F126-L130 VanDerWaalsContact O-N 3.09Å; F126-L233 HydrophobicContact CD2-CD1 4.33Å; F126-L233 HydrophobicContact CD2-CD2 3.85Å; F126-L233 HydrophobicContact CD2-CG 4.18Å; F126-L233 HydrophobicContact CE2-CD2 3.79Å; F126-L233 HydrophobicContact CE2-CG 4.3Å; F126-I237 HydrophobicContact CB-CD1 3.93Å; F126-I237 HydrophobicContact CB-CG1 4.42Å; F126-I237 HydrophobicContact CD1-CD1 3.99Å; F126-I237 HydrophobicContact CD2-CD1 3.51Å; F126-I237 HydrophobicContact CE1-CD1 4.39Å; F126-I237 HydrophobicContact CE2-CD1 3.94Å; F126-I237 HydrophobicContact CG-CD1 3.55Å; F126-I237 HydrophobicContact CZ-CD1 4.37Å; F126-L280 HydrophobicContact CD1-CD1 3.85Å; F126-L280 HydrophobicContact CE1-CD1 3.78Å; F126-M287 HydrophobicContact CE2-CE 4.08Å; F126-M287 HydrophobicContact CE2-SD 4.37Å; F126-M287 HydrophobicContact CZ-CE 4.4Å; F126-M287 HydrophobicContact CZ-SD 4.09Å; F126-L301 HydrophobicContact CZ-CD1 4.48Å; F126-V307 HydrophobicContact CZ-CG2 4.29Å; F126-L310 HydrophobicContact CB-CD2 3.92Å; F126-L310 HydrophobicContact CD1-CD2 3.21Å; F126-L310 HydrophobicContact CD2-CD2 4.34Å; F126-L310 HydrophobicContact CE1-CD2 3.74Å; F126-L310 HydrophobicContact CG-CD2 3.55Å; F126-L310 HydrophobicContact CZ-CD2 4.5Å
127G93.3Very high90.2Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-68.5-36.5-178.500000113.5Y123 L130 T131 T314Y123-G127 PolarHBondContact O-N 3.48Å; G127-L130 PolarHBondContact O-N 2.81Å; G127-T131 PolarHBondContact O-N 2.66Å; G127-T131 PolarHBondContact O-OG1 3.36Å; G127-T314 WeakPolarHBondContact CA-OG1 3.32Å; G127-T314 PolarHBondContact O-OG1 2.95Å
128S92.1Very high89.5Confident0 Ų034.5 Ų34.50%016%0.164CC..Hα-helixtrans-68.5-38.4177.9-65.30000112.2Y72 R124 M125 F126 T131 V132 F158Y72-S128 VanDerWaalsContact CE2-CB 3.47Å; Y72-S128 VanDerWaalsContact CE2-OG 3.29Å; Y72-S128 WeakPolarHBondContact CE2-OG 3.28Å; Y72-S128 PolarHBondContact OH-OG 2.75Å; R124-S128 WeakPolarHBondContact O-CB 3.39Å; R124-S128 PolarHBondContact O-N 3.04Å; R124-S128 PolarHBondContact O-OG 3.37Å; M125-S128 PolarHBondContact O-N 3Å; F126-S128 PolarHBondContact O-N 2.83Å; S128-T131 PolarHBondContact O-N 2.82Å; S128-V132 WeakPolarHBondContact O-CG2 3.32Å; S128-V132 PolarHBondContact O-N 3.32Å; S128-F158 VanDerWaalsContact CB-CG 3.46Å
129V92.6Very high88.6Confident0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-62.4-49172.4169.50000110.8M125 F126 T131 V132 I133 F146 F158 M160 L233M125-V129 WeakPolarHBondContact O-CB 3.34Å; M125-V129 WeakPolarHBondContact O-CG2 3.44Å; M125-V129 PolarHBondContact O-N 3.41Å; M125-V129 HydrophobicContact SD-CG2 3.72Å; F126-V129 PolarHBondContact O-N 3.43Å; V129-T131 PolarHBondContact O-N 3.29Å; V129-V132 PolarHBondContact O-N 2.75Å; V129-I133 HydrophobicContact CG1-CD1 3.58Å; V129-I133 HydrophobicContact CG1-CG1 4.13Å; V129-I133 WeakPolarHBondContact O-CG1 3.44Å; V129-I133 PolarHBondContact O-N 2.77Å; V129-F146 HydrophobicContact CB-CE2 4.42Å; V129-F146 HydrophobicContact CG1-CD2 4.39Å; V129-F146 HydrophobicContact CG1-CE2 3.69Å; V129-F146 HydrophobicContact CG1-CZ 4.05Å; V129-F146 HydrophobicContact CG2-CE2 3.77Å; V129-F146 HydrophobicContact CG2-CZ 4.09Å; V129-F158 HydrophobicContact CG2-CE2 3.94Å; V129-F158 HydrophobicContact CG2-CZ 3.6Å; V129-M160 HydrophobicContact CB-CE 4.08Å; V129-M160 HydrophobicContact CG1-CE 3.85Å; V129-M160 HydrophobicContact CG2-CE 3.65Å; V129-L233 HydrophobicContact CB-CD1 4.03Å; V129-L233 HydrophobicContact CG1-CD1 3.74Å; V129-L233 HydrophobicContact CG1-CD2 4.01Å; V129-L233 HydrophobicContact CG1-CG 4.43Å; V129-L233 HydrophobicContact CG2-CD1 4.34Å
130L92.4Very high87.5Confident0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-59-37.3178.6-74.8179.6000112.6F126 G127 I133 T134 L233 L298 L301 V307 M311F126-L130 HydrophobicContact CD2-CD1 3.82Å; F126-L130 HydrophobicContact CD2-CG 3.98Å; F126-L130 HydrophobicContact CE2-CD1 3.39Å; F126-L130 HydrophobicContact CE2-CD2 4.27Å; F126-L130 HydrophobicContact CE2-CG 3.8Å; F126-L130 HydrophobicContact CZ-CD1 3.98Å; F126-L130 WeakPolarHBondContact O-CG 3.45Å; F126-L130 PolarHBondContact O-N 3.28Å; F126-L130 VanDerWaalsContact O-N 3.09Å; G127-L130 PolarHBondContact O-N 2.81Å; L130-I133 PolarHBondContact O-N 3.47Å; L130-T134 VanDerWaalsContact O-CB 3.29Å; L130-T134 WeakPolarHBondContact O-CB 3.24Å; L130-T134 PolarHBondContact O-N 3.43Å; L130-T134 PolarHBondContact O-OG1 3.14Å; L130-L233 HydrophobicContact CD2-CD2 3.67Å; L130-L233 HydrophobicContact CG-CD2 4.02Å; L130-L298 HydrophobicContact CD2-CD1 4.26Å; L130-L301 HydrophobicContact CD2-CD2 3.83Å; L130-V307 HydrophobicContact CD1-CG1 3.47Å; L130-V307 VanDerWaalsContact CD1-CG1 3.47Å; L130-M311 HydrophobicContact CB-CE 4.41Å; L130-M311 HydrophobicContact CB-CG 4.4Å; L130-M311 HydrophobicContact CB-SD 4.21Å
131T89.8Confident86.4Confident12 Ų1231.5 Ų31.57%0.07416%0.16CC..Hα-helixtrans-59.9-47.3174.5-57.20000111H70 G127 S128 V129 T134 S135 P316H70-T131 WeakPolarHBondContact NE2-CG2 3.35Å; G127-T131 PolarHBondContact O-N 2.66Å; G127-T131 PolarHBondContact O-OG1 3.36Å; S128-T131 PolarHBondContact O-N 2.82Å; V129-T131 PolarHBondContact O-N 3.29Å; T131-T134 PolarHBondContact O-N 3.13Å; T131-S135 PolarHBondContact O-N 3.43Å; T131-S135 PolarHBondContact O-OG 3.37Å; T131-P316 HydrophobicContact CG2-CG 3.67Å
132V88.4Confident84.9Confident0 Ų032.3 Ų32.30%017%0.173CC..Hα-helixtrans-62.5-49178.2174.80000111.4Y72 V73 S128 V129 T134 S135 L136 F158 M160 I163Y72-V132 HydrophobicContact CD2-CG2 4.26Å; V73-V132 HydrophobicContact CG2-CG1 3.92Å; V73-V132 HydrophobicContact CG2-CG2 4.12Å; S128-V132 WeakPolarHBondContact O-CG2 3.32Å; S128-V132 PolarHBondContact O-N 3.32Å; V129-V132 PolarHBondContact O-N 2.75Å; V132-T134 VanDerWaalsContact C-N 3.32Å; V132-T134 PolarHBondContact O-N 2.99Å; V132-S135 PolarHBondContact O-N 3.04Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.49Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 3.12Å; V132-F158 HydrophobicContact CG2-CE1 4.45Å; V132-M160 HydrophobicContact CB-SD 4.41Å; V132-M160 HydrophobicContact CG1-CE 4.5Å; V132-M160 HydrophobicContact CG1-SD 3.78Å; V132-I163 HydrophobicContact CG1-CD1 3.48Å; V132-I163 VanDerWaalsContact CG1-CD1 3.48Å
133I87.7Confident83.2Confident8 Ų832.9 Ų32.94%0.04118%0.177CC..Hα-helixtrans-57.7-46.3178.9-63.5170.7000110.6V129 L130 S135 L136 K137 I144 L233 L298V129-I133 HydrophobicContact CG1-CD1 3.58Å; V129-I133 HydrophobicContact CG1-CG1 4.13Å; V129-I133 WeakPolarHBondContact O-CG1 3.44Å; V129-I133 PolarHBondContact O-N 2.77Å; L130-I133 PolarHBondContact O-N 3.47Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 3.46Å; I133-L136 PolarHBondContact O-N 3.21Å; I133-K137 PolarHBondContact O-N 3.09Å; I133-I144 HydrophobicContact CB-CD1 4.26Å; I133-I144 HydrophobicContact CG1-CD1 3.52Å; I133-L233 HydrophobicContact CD1-CD2 4.42Å; I133-L298 HydrophobicContact CG2-CD1 4.05Å; I133-L298 HydrophobicContact CG2-CD2 3.53Å; I133-L298 HydrophobicContact CG2-CG 4.46Å
134T85.9Confident81.8Confident22 Ų2231 Ų3114%0.13517%0.171CC..Hα-helixtrans-61.5-42.5-179.8-56.60000111.7L130 T131 V132 K138 L302L130-T134 VanDerWaalsContact O-CB 3.29Å; L130-T134 WeakPolarHBondContact O-CB 3.24Å; L130-T134 PolarHBondContact O-N 3.43Å; L130-T134 PolarHBondContact O-OG1 3.14Å; T131-T134 PolarHBondContact O-N 3.13Å; V132-T134 VanDerWaalsContact C-N 3.32Å; V132-T134 PolarHBondContact O-N 2.99Å; T134-K138 WeakPolarHBondContact O-CG 3.36Å; T134-K138 PolarHBondContact O-N 3.17Å; T134-K138 VanDerWaalsContact O-N 3.13Å; T134-L302 HydrophobicContact CG2-CD1 4.16Å; T134-L302 WeakPolarHBondContact OG1-CD1 3.3Å; T134-L302 WeakPolarHBondContact OG1-CD2 3.2Å
135S83.4Confident80.6Confident37 Ų3727.3 Ų27.326%0.25916%0.157SC..Hα-helixtrans-66-38.3177.3-75.30000112.7H70 T131 V132 I133 K138 A139H70-S135 PolarHBondContact CD2-OG 3.24Å; T131-S135 PolarHBondContact O-N 3.43Å; T131-S135 PolarHBondContact O-OG 3.37Å; V132-S135 PolarHBondContact O-N 3.04Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 3.46Å; S135-K138 PolarHBondContact O-N 2.59Å; S135-A139 PolarHBondContact O-N 3.08Å; S135-A139 VanDerWaalsContact O-N 3.15Å
136L81.3Confident79.6Confident5 Ų527.6 Ų27.63%0.02616%0.158CC..Hα-helixtrans-67.4-44177.4-73.2165.7000112.2F68 V132 I133 K138 A139 N140 C141 I144 I163F68-L136 HydrophobicContact CD1-CD2 4.21Å; F68-L136 HydrophobicContact CD2-CD2 4.33Å; F68-L136 HydrophobicContact CE1-CD2 3.77Å; F68-L136 HydrophobicContact CE1-CG 4.3Å; F68-L136 HydrophobicContact CE2-CD2 3.92Å; F68-L136 HydrophobicContact CE2-CG 4.34Å; F68-L136 HydrophobicContact CG-CD2 4.47Å; F68-L136 HydrophobicContact CZ-CD2 3.61Å; F68-L136 HydrophobicContact CZ-CG 3.84Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.49Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 3.12Å; I133-L136 PolarHBondContact O-N 3.21Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.71Å; L136-A139 CarbonylContact O-C 3.41Å; L136-A139 WeakPolarHBondContact O-CA 3.15Å; L136-A139 WeakPolarHBondContact O-CB 3.42Å; L136-A139 PolarHBondContact O-N 3.11Å; L136-N140 PolarHBondContact O-N 3.23Å; L136-C141 HydrophobicContact CB-CB 4.03Å; L136-C141 HydrophobicContact CD2-CB 3.7Å; L136-C141 HydrophobicContact CG-CB 4.47Å; L136-C141 PolarHBondContact O-N 3.06Å; L136-I144 HydrophobicContact CD1-CD1 3.37Å; L136-I144 HydrophobicContact CD1-CG1 3.86Å; L136-I163 HydrophobicContact CD1-CD1 4.26Å; L136-I163 HydrophobicContact CD1-CG2 3.44Å; L136-I163 VanDerWaalsContact CD1-CG2 3.44Å; L136-I163 HydrophobicContact CD2-CG2 3.41Å; L136-I163 VanDerWaalsContact CD2-CG2 3.41Å; L136-I163 HydrophobicContact CG-CG2 4.03Å
137K79.5Confident79.1Confident72 Ų7228.2 Ų28.231%0.31316%0.161SC..Hα-helixtrans-58.6-43.2175.1-177.9168.8-178.8166.70112I133 A139 N140 D226 L298 N299I133-K137 PolarHBondContact O-N 3.09Å; K137-A139 PolarHBondContact O-N 2.76Å; K137-N140 PolarHBondContact O-N 3.08Å; K137-N140 VanDerWaalsContact O-N 3.08Å; K137-D226 WeakPolarHBondContact CE-OD2 3.47Å; K137-D226 IonicContact NZ-OD2 3.61Å; K137-D226 PolarHBondContact NZ-OD2 3.08Å; K137-L298 HydrophobicContact CD-CD2 3.8Å; K137-N299 PolarHBondContact NZ-OD1 3.43Å
138K78.8Confident78.9Confident169 Ų16928.2 Ų28.274%0.73516%0.161SC*.Hα-helixtrans-63.2-27.5174.2-74.4177.1-179.5179.30113.2T134 S135 L136 N140T134-K138 WeakPolarHBondContact O-CG 3.36Å; T134-K138 PolarHBondContact O-N 3.17Å; T134-K138 VanDerWaalsContact O-N 3.13Å; S135-K138 PolarHBondContact O-N 2.59Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.71Å; K138-N140 VanDerWaalsContact C-N 3.3Å
139A73.6Confident78.7Confident45 Ų4529 Ų2937%0.37217%0.169SC..THydrogen-bonded Turntrans-88.36.6176.500000113.1F68 S135 L136 K137 C141F68-A139 HydrophobicContact CD2-CB 4.02Å; F68-A139 HydrophobicContact CE2-CB 4.2Å; S135-A139 PolarHBondContact O-N 3.08Å; S135-A139 VanDerWaalsContact O-N 3.15Å; L136-A139 CarbonylContact O-C 3.41Å; L136-A139 WeakPolarHBondContact O-CA 3.15Å; L136-A139 WeakPolarHBondContact O-CB 3.42Å; L136-A139 PolarHBondContact O-N 3.11Å; K137-A139 PolarHBondContact O-N 2.76Å; A139-C141 PolarHBondContact O-N 3.39Å; A139-C141 VanDerWaalsContact O-N 3.15Å
140N69.7Low78.5Confident110 Ų11029.5 Ų29.559%0.58817%0.171SC*.THydrogen-bonded Turntrans54.325.1-172.1-68.8-17.4000113.7L136 K137 K138L136-N140 PolarHBondContact O-N 3.23Å; K137-N140 PolarHBondContact O-N 3.08Å; K137-N140 VanDerWaalsContact O-N 3.08Å; K138-N140 VanDerWaalsContact C-N 3.3Å
141C66.7Low78.5Confident28 Ų2829.5 Ų29.519%0.18917%0.171CC..  trans-77.4123.2166.2-57.50000107.2L136 A139L136-C141 HydrophobicContact CB-CB 4.03Å; L136-C141 HydrophobicContact CD2-CB 3.7Å; L136-C141 HydrophobicContact CG-CB 4.47Å; L136-C141 PolarHBondContact O-N 3.06Å; A139-C141 PolarHBondContact O-N 3.39Å; A139-C141 VanDerWaalsContact O-N 3.15Å
142G60.9Low78.7Confident38 Ų3830.7 Ų30.739%0.39218%0.176SC..  trans-62.7-176.5-177.100000114.7
143S58.3Low79Confident14 Ų1430.8 Ų30.810%0.09818%0.176CC..  trans-51.3143.8-179.1148.50000113.2R173 D229S143-R173 PolarHBondContact O-NH2 2.92Å; S143-R173 VanDerWaalsContact O-NH2 3.07Å; S143-R173 PolarHBondContact OG-NH2 3.44Å; S143-D229 VanDerWaalsContact CA-OD2 3.28Å; S143-D229 WeakPolarHBondContact CA-OD2 3.46Å; S143-D229 WeakPolarHBondContact CB-OD2 3.46Å; S143-D229 VanDerWaalsContact OG-CG 3.3Å; S143-D229 PolarHBondContact OG-OD1 3.44Å; S143-D229 PolarHBondContact OG-OD2 3.33Å; S143-D229 VanDerWaalsContact OG-OD2 3.13Å
144I64.8Low79.1Confident12 Ų1231.6 Ų31.66%0.06218%0.182CC..  trans-87.2140.1-171.1-51.5-176.9000110.9I133 L136 F146 R173 D229I133-I144 HydrophobicContact CB-CD1 4.26Å; I133-I144 HydrophobicContact CG1-CD1 3.52Å; L136-I144 HydrophobicContact CD1-CD1 3.37Å; L136-I144 HydrophobicContact CD1-CG1 3.86Å; I144-F146 VanDerWaalsContact C-N 3.29Å; I144-F146 HydrophobicContact CB-CB 4.5Å; I144-F146 HydrophobicContact CG2-CB 4.21Å; I144-F146 PolarHBondContact O-N 3.11Å; I144-R173 PolarHBondContact O-NH2 2.88Å; I144-D229 PolarHBondContact N-OD2 3.1Å
145Y65.6Low78.9Confident2 Ų235.8 Ų35.81%0.00820%0.204CC..  trans-79.280.5161.5-165.9-104.4000110.4H147 N150 M169 R173 P209 R210 I212Y145-H147 AromaticContact CD1-CD2 3.6Å; Y145-H147 AromaticContact CE1-CD2 3.49Å; Y145-H147 VanDerWaalsContact CE1-CD2 3.49Å; Y145-H147 WeakPolarHBondContact CE1-CD2 3.29Å; Y145-H147 AromaticContact CE1-NE2 3.88Å; Y145-N150 PolarHBondContact O-ND2 3.39Å; Y145-M169 WeakPolarHBondContact CB-SD 3.33Å; Y145-M169 PolarHBondContact N-SD 2.98Å; Y145-R173 HydrophobicContact CD2-CG 4.23Å; Y145-P209 HydrophobicContact CE2-CB 4.06Å; Y145-P209 WeakPolarHBondContact OH-CB 3.49Å; Y145-R210 VanDerWaalsContact OH-C 3.31Å; Y145-R210 PolarHBondContact OH-O 3.26Å; Y145-I212 PolarHBondContact OH-N 3.43Å
146F72.7Confident78.7Confident6 Ų643.2 Ų43.23%0.02623%0.232CC..  trans-88.3122-172.7-179-109.6000111.6V129 I144 I151 M160 T232 L233 V236V129-F146 HydrophobicContact CB-CE2 4.42Å; V129-F146 HydrophobicContact CG1-CD2 4.39Å; V129-F146 HydrophobicContact CG1-CE2 3.69Å; V129-F146 HydrophobicContact CG1-CZ 4.05Å; V129-F146 HydrophobicContact CG2-CE2 3.77Å; V129-F146 HydrophobicContact CG2-CZ 4.09Å; I144-F146 VanDerWaalsContact C-N 3.29Å; I144-F146 HydrophobicContact CB-CB 4.5Å; I144-F146 HydrophobicContact CG2-CB 4.21Å; I144-F146 PolarHBondContact O-N 3.11Å; F146-I151 HydrophobicContact CD2-CD1 4.13Å; F146-I151 HydrophobicContact CD2-CG1 4.5Å; F146-I151 HydrophobicContact CE1-CD1 4.35Å; F146-I151 HydrophobicContact CE2-CD1 3.22Å; F146-I151 HydrophobicContact CE2-CG1 3.86Å; F146-I151 HydrophobicContact CZ-CD1 3.34Å; F146-I151 HydrophobicContact CZ-CG1 4.44Å; F146-M160 HydrophobicContact CD2-CE 3.88Å; F146-M160 HydrophobicContact CE2-CE 3.73Å; F146-T232 HydrophobicContact CB-CG2 4.25Å; F146-T232 HydrophobicContact CD1-CG2 3.37Å; F146-T232 HydrophobicContact CE1-CG2 4.12Å; F146-T232 HydrophobicContact CG-CG2 4.26Å; F146-T232 VanDerWaalsContact O-CG2 3.26Å; F146-T232 WeakPolarHBondContact O-CG2 3.37Å; F146-L233 HydrophobicContact CE1-CB 4.17Å; F146-L233 HydrophobicContact CE1-CD1 4.18Å; F146-L233 HydrophobicContact CZ-CD1 3.86Å; F146-V236 HydrophobicContact CE1-CB 4.12Å; F146-V236 HydrophobicContact CE1-CG2 3.74Å; F146-V236 HydrophobicContact CZ-CB 4.49Å; F146-V236 HydrophobicContact CZ-CG2 4.36Å
147H83.5Confident78.8Confident13 Ų1343.9 Ų43.96%0.0624%0.24CC..  trans-154.6161.417266.392.9000111.4Y145 G149 N150 Y211 W214Y145-H147 AromaticContact CD1-CD2 3.6Å; Y145-H147 AromaticContact CE1-CD2 3.49Å; Y145-H147 VanDerWaalsContact CE1-CD2 3.49Å; Y145-H147 WeakPolarHBondContact CE1-CD2 3.29Å; Y145-H147 AromaticContact CE1-NE2 3.88Å; H147-G149 PolarHBondContact ND1-N 3.23Å; H147-G149 VanDerWaalsContact ND1-N 3.19Å; H147-G149 PolarHBondContact O-N 2.76Å; H147-N150 PolarHBondContact CD2-ND2 2.93Å; H147-N150 PolarHBondContact CE1-OD1 3.3Å; H147-N150 VanDerWaalsContact NE2-CG 3.29Å; H147-N150 PolarHBondContact NE2-ND2 3.33Å; H147-N150 PolarHBondContact NE2-OD1 3.04Å; H147-N150 PolarHBondContact O-N 3.25Å; H147-Y211 HydrophobicContact CB-CD1 4.37Å; H147-Y211 HydrophobicContact CB-CG 4.02Å; H147-Y211 AromaticContact CE1-CD2 3.28Å; H147-Y211 WeakPolarHBondContact CE1-CD2 3.26Å; H147-Y211 AromaticContact CE1-CE2 3.46Å; H147-Y211 VanDerWaalsContact CE1-CE2 3.46Å; H147-Y211 WeakPolarHBondContact CE1-CE2 3.31Å; H147-Y211 AromaticContact CE1-CG 3.89Å; H147-Y211 AromaticContact CG-CD2 3.84Å; H147-Y211 AromaticContact CG-CG 3.67Å; H147-Y211 AromaticContact ND1-CD1 3.77Å; H147-Y211 AromaticContact ND1-CD2 3.25Å; H147-Y211 WeakPolarHBondContact ND1-CD2 3.4Å; H147-Y211 AromaticContact ND1-CE2 3.58Å; H147-Y211 AromaticContact ND1-CG 3.36Å; H147-Y211 AromaticContact ND1-CZ 3.97Å; H147-Y211 AromaticContact NE2-CD2 3.8Å; H147-W214 HydrophobicContact CB-CB 4.39Å
148P89.6Confident79.4Confident0 Ų040.6 Ų40.60%023%0.226CC..G310 helixtrans-58.6-24.4-174.9-2836.2000115.8L104 D105 I108 N150 I151 W214 V236L104-P148 HydrophobicContact CB-CB 4.04Å; L104-P148 WeakPolarHBondContact CB-O 3.27Å; L104-P148 HydrophobicContact CD2-CB 4.27Å; L104-P148 HydrophobicContact CG-CB 4.26Å; L104-P148 PolarHBondContact N-O 2.87Å; D105-P148 HydrophobicContact CB-CB 4.21Å; D105-P148 PolarHBondContact N-O 2.59Å; D105-P148 VanDerWaalsContact N-O 3.13Å; I108-P148 HydrophobicContact CD1-CB 3.83Å; I108-P148 HydrophobicContact CD1-CG 3.88Å; P148-N150 PolarHBondContact O-N 3.19Å; P148-I151 PolarHBondContact O-N 3.16Å; P148-W214 HydrophobicContact CG-CD2 3.69Å; P148-W214 HydrophobicContact CG-CE3 3.68Å; P148-W214 HydrophobicContact CG-CG 4.44Å; P148-W214 HydrophobicContact CG-CH2 3.81Å; P148-W214 HydrophobicContact CG-CZ2 3.83Å; P148-W214 HydrophobicContact CG-CZ3 3.73Å; P148-V236 HydrophobicContact CG-CG2 4.17Å
149G87.9Confident80Confident16 Ų1635.8 Ų35.817%0.16521%0.205CC..G310 helixtrans-68.7-21.1177.100000114.2H147H147-G149 PolarHBondContact ND1-N 3.23Å; H147-G149 VanDerWaalsContact ND1-N 3.19Å; H147-G149 PolarHBondContact O-N 2.76Å
150N87.8Confident80.8Confident11 Ų1133.8 Ų33.86%0.05919%0.187CC..G310 helixtrans-97.5-1.1-179-72.1-7.7000113.4Y145 H147 P148 M160 T161Y145-N150 PolarHBondContact O-ND2 3.39Å; H147-N150 PolarHBondContact CD2-ND2 2.93Å; H147-N150 PolarHBondContact CE1-OD1 3.3Å; H147-N150 VanDerWaalsContact NE2-CG 3.29Å; H147-N150 PolarHBondContact NE2-ND2 3.33Å; H147-N150 PolarHBondContact NE2-OD1 3.04Å; H147-N150 PolarHBondContact O-N 3.25Å; P148-N150 PolarHBondContact O-N 3.19Å; N150-M160 CarbonylContact O-C 3.6Å; N150-M160 WeakPolarHBondContact O-CA 3.38Å; N150-T161 HydrophobicContact CB-CG2 4.38Å; N150-T161 WeakPolarHBondContact CB-O 3.5Å; N150-T161 PolarHBondContact O-N 2.89Å
151I93.1Very high81.7Confident0 Ų028.9 Ų28.90%016%0.162CC..EExtended strand (participates in β ladder)trans-108.8132.4-178.8-57166.7000107.9S103 L104 M125 F146 P148 F158S103-I151 CarbonylContact C-O 3.57Å; S103-I151 VanDerWaalsContact CA-O 3.23Å; S103-I151 WeakPolarHBondContact CA-O 3.45Å; L104-I151 HydrophobicContact CB-CB 3.92Å; L104-I151 HydrophobicContact CB-CG2 4.15Å; L104-I151 HydrophobicContact CD2-CB 4.32Å; L104-I151 HydrophobicContact CD2-CD1 3.82Å; L104-I151 HydrophobicContact CD2-CG2 4.27Å; L104-I151 PolarHBondContact N-O 3.3Å; M125-I151 HydrophobicContact CG-CG2 4.41Å; F146-I151 HydrophobicContact CD2-CD1 4.13Å; F146-I151 HydrophobicContact CD2-CG1 4.5Å; F146-I151 HydrophobicContact CE1-CD1 4.35Å; F146-I151 HydrophobicContact CE2-CD1 3.22Å; F146-I151 HydrophobicContact CE2-CG1 3.86Å; F146-I151 HydrophobicContact CZ-CD1 3.34Å; F146-I151 HydrophobicContact CZ-CG1 4.44Å; P148-I151 PolarHBondContact O-N 3.16Å; I151-F158 HydrophobicContact CG2-CD2 4.39Å; I151-F158 HydrophobicContact CG2-CE2 3.63Å; I151-F158 HydrophobicContact CG2-CZ 4.22Å
152F94.5Very high82.4Confident37 Ų3728.1 Ų28.116%0.16216%0.156CC..EExtended strand (participates in β ladder)trans-126.8125.7-179.1-68.6-100.3000108.7I99 L101 P102 F158 F159 T161I99-F152 HydrophobicContact CB-CD1 4.15Å; I99-F152 HydrophobicContact CB-CG 4.26Å; I99-F152 HydrophobicContact CD1-CB 4.41Å; I99-F152 HydrophobicContact CD1-CD2 3.68Å; I99-F152 HydrophobicContact CD1-CE2 4.07Å; I99-F152 HydrophobicContact CD1-CG 3.95Å; I99-F152 HydrophobicContact CG2-CB 3.6Å; I99-F152 HydrophobicContact CG2-CD1 3.78Å; I99-F152 HydrophobicContact CG2-CG 3.74Å; L101-F152 HydrophobicContact CB-CB 4.15Å; L101-F152 WeakPolarHBondContact O-CD1 3.43Å; P102-F152 WeakPolarHBondContact O-CA 3.4Å; F152-F158 CarbonylContact O-C 3.49Å; F152-F158 WeakPolarHBondContact O-CA 3.49Å; F152-F159 HydrophobicContact CB-CB 4.25Å; F152-F159 PolarHBondContact N-O 3.41Å; F152-F159 PolarHBondContact O-N 3.31Å; F152-T161 HydrophobicContact CD2-CG2 4.31Å; F152-T161 HydrophobicContact CE2-CG2 3.62Å
153L93.2Very high83.1Confident2 Ų226.8 Ų26.81%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-149.9139.1-165.3179.157.9000112.5P102 I107 L121 R124 M125 F158P102-L153 WeakPolarHBondContact CG-O 3.42Å; P102-L153 PolarHBondContact O-N 2.92Å; P102-L153 VanDerWaalsContact O-N 3.09Å; I107-L153 HydrophobicContact CD1-CB 4.26Å; I107-L153 WeakPolarHBondContact CD1-O 3.45Å; L121-L153 HydrophobicContact CD1-CD1 3.76Å; L121-L153 HydrophobicContact CD1-CD2 3.94Å; L121-L153 HydrophobicContact CD1-CG 3.61Å; L121-L153 HydrophobicContact CD2-CD2 4.47Å; L121-L153 HydrophobicContact CG-CD2 3.8Å; L121-L153 HydrophobicContact CG-CG 4.02Å; R124-L153 HydrophobicContact CG-CD1 4.23Å; M125-L153 HydrophobicContact CB-CD2 3.62Å; M125-L153 HydrophobicContact CG-CD2 3.92Å; L153-F158 HydrophobicContact CB-CD2 4.49Å; L153-F158 HydrophobicContact CD1-CB 4.08Å; L153-F158 HydrophobicContact CD1-CD2 3.91Å; L153-F158 HydrophobicContact CD1-CG 4.49Å
154S89.5Confident83.8Confident24 Ų2426.8 Ų26.817%0.16814%0.137CC..EExtended strand (participates in β ladder)trans-156.9-177.1165.870.70000110.5L101 R124 K156 G157L101-S154 WeakPolarHBondContact CD2-OG 3.27Å; R124-S154 PolarHBondContact NH1-O 2.91Å; S154-K156 PolarHBondContact O-N 2.96Å; S154-K156 WeakPolarHBondContact OG-CB 3.47Å; S154-K156 PolarHBondContact OG-N 2.93Å; S154-G157 PolarHBondContact N-O 3.01Å; S154-G157 PolarHBondContact O-N 3.19Å
155D82Confident83.8Confident111 Ų11126.3 Ų26.359%0.59414%0.136SC*.THydrogen-bonded Turntrans-61.6-21.1169.2-55.3-32.7000113R124R124-D155 VanDerWaalsContact NH1-CA 3.33Å; R124-D155 PolarHBondContact NH1-O 2.91Å
156K79.7Confident83.7Confident193 Ų19327.9 Ų27.984%0.83915%0.146SC*.THydrogen-bonded Turntrans-85.8-23.2-179.8-59-177.5-178.5177.20113.7S154S154-K156 PolarHBondContact O-N 2.96Å; S154-K156 WeakPolarHBondContact OG-CB 3.47Å; S154-K156 PolarHBondContact OG-N 2.93Å
157G84.6Confident83.4Confident19 Ų1928.1 Ų28.120%0.19615%0.148CC..EExtended strand (participates in β ladder)trans174.5179.2-175.200000115.1L101 S154L101-G157 WeakPolarHBondContact CD1-O 3.46Å; S154-G157 PolarHBondContact N-O 3.01Å; S154-G157 PolarHBondContact O-N 3.19Å
158F91.3Very high82.7Confident3 Ų327.5 Ų27.51%0.01315%0.145CC..EExtended strand (participates in β ladder)trans-139.7137.7178.5172.7-82.7000108.8Y72 M125 S128 V129 V132 I151 F152 L153 M160Y72-F158 HydrophobicContact CD1-CB 4.44Å; Y72-F158 AromaticContact CD1-CD1 3.98Å; Y72-F158 HydrophobicContact CD1-CD1 3.98Å; Y72-F158 VanDerWaalsContact CD1-O 3.23Å; Y72-F158 WeakPolarHBondContact CD1-O 3.37Å; Y72-F158 AromaticContact CD2-CD1 3.89Å; Y72-F158 HydrophobicContact CD2-CD1 3.89Å; Y72-F158 HydrophobicContact CD2-CE1 4.23Å; Y72-F158 HydrophobicContact CE1-CB 4.4Å; Y72-F158 HydrophobicContact CE1-CD1 4.5Å; Y72-F158 HydrophobicContact CE2-CD1 4.44Å; Y72-F158 AromaticContact CG-CD1 3.63Å; Y72-F158 HydrophobicContact CG-CD1 3.63Å; Y72-F158 HydrophobicContact CG-CE1 4.19Å; M125-F158 HydrophobicContact CG-CE2 4.28Å; S128-F158 VanDerWaalsContact CB-CG 3.46Å; V129-F158 HydrophobicContact CG2-CE2 3.94Å; V129-F158 HydrophobicContact CG2-CZ 3.6Å; V132-F158 HydrophobicContact CG2-CE1 4.45Å; I151-F158 HydrophobicContact CG2-CD2 4.39Å; I151-F158 HydrophobicContact CG2-CE2 3.63Å; I151-F158 HydrophobicContact CG2-CZ 4.22Å; F152-F158 CarbonylContact O-C 3.49Å; F152-F158 WeakPolarHBondContact O-CA 3.49Å; L153-F158 HydrophobicContact CB-CD2 4.49Å; L153-F158 HydrophobicContact CD1-CB 4.08Å; L153-F158 HydrophobicContact CD1-CD2 3.91Å; L153-F158 HydrophobicContact CD1-CG 4.49Å; F158-M160 HydrophobicContact CE1-CB 4.23Å; F158-M160 HydrophobicContact CZ-CB 4.4Å; F158-M160 HydrophobicContact CZ-CE 4.29Å
159F92Very high81.6Confident68 Ų6827.6 Ų27.630%0.29815%0.145SC..EExtended strand (participates in β ladder)trans-139.4148.5168.7-65.6-84000110.9Y72 P74 I99 L101 F152Y72-F159 CarbonylContact O-C 3.53Å; Y72-F159 VanDerWaalsContact O-CA 3.24Å; Y72-F159 WeakPolarHBondContact O-CA 3.31Å; P74-F159 HydrophobicContact CG-CD1 4.38Å; I99-F159 HydrophobicContact CD1-CB 3.67Å; I99-F159 HydrophobicContact CD1-CG 4.36Å; I99-F159 HydrophobicContact CG1-CB 4.05Å; I99-F159 HydrophobicContact CG1-CD2 4.49Å; I99-F159 HydrophobicContact CG1-CG 4.2Å; I99-F159 HydrophobicContact CG2-CB 4.11Å; I99-F159 HydrophobicContact CG2-CD2 3.73Å; I99-F159 HydrophobicContact CG2-CG 4.16Å; L101-F159 HydrophobicContact CD1-CD2 3.77Å; L101-F159 HydrophobicContact CD1-CE2 4.13Å; F152-F159 HydrophobicContact CB-CB 4.25Å; F152-F159 PolarHBondContact N-O 3.41Å; F152-F159 PolarHBondContact O-N 3.31Å
160M90.5Very high80.6Confident2 Ų228.1 Ų28.11%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-118.7143.1167.3-173.9179.4-66.100108.9Y72 P74 V129 V132 F146 N150 F158 I163Y72-M160 PolarHBondContact O-N 3.42Å; P74-M160 WeakPolarHBondContact CD-O 3.49Å; V129-M160 HydrophobicContact CB-CE 4.08Å; V129-M160 HydrophobicContact CG1-CE 3.85Å; V129-M160 HydrophobicContact CG2-CE 3.65Å; V132-M160 HydrophobicContact CB-SD 4.41Å; V132-M160 HydrophobicContact CG1-CE 4.5Å; V132-M160 HydrophobicContact CG1-SD 3.78Å; F146-M160 HydrophobicContact CD2-CE 3.88Å; F146-M160 HydrophobicContact CE2-CE 3.73Å; N150-M160 CarbonylContact O-C 3.6Å; N150-M160 WeakPolarHBondContact O-CA 3.38Å; F158-M160 HydrophobicContact CE1-CB 4.23Å; F158-M160 HydrophobicContact CZ-CB 4.4Å; F158-M160 HydrophobicContact CZ-CE 4.29Å; M160-I163 HydrophobicContact CB-CD1 4.12Å; M160-I163 HydrophobicContact CG-CD1 3.85Å; M160-I163 HydrophobicContact CG-CG1 4.06Å; M160-I163 HydrophobicContact SD-CD1 3.86Å; M160-I163 HydrophobicContact SD-CG1 4.1Å
161T88.2Confident79.6Confident7 Ų729.7 Ų29.74%0.04315%0.15CC..  trans-133178.4-180-156.50000113R96 N150 F152 I163R96-T161 PolarHBondContact NE-OG1 2.84Å; R96-T161 PolarHBondContact NH1-OG1 3.09Å; R96-T161 VanDerWaalsContact NH1-OG1 3.14Å; R96-T161 PolarHBondContact NH2-OG1 3.49Å; N150-T161 HydrophobicContact CB-CG2 4.38Å; N150-T161 WeakPolarHBondContact CB-O 3.5Å; N150-T161 PolarHBondContact O-N 2.89Å; F152-T161 HydrophobicContact CD2-CG2 4.31Å; F152-T161 HydrophobicContact CE2-CG2 3.62Å; T161-I163 PolarHBondContact O-N 2.87Å
162D80.4Confident78.1Confident12 Ų1230 Ų306%0.06415%0.152CC..  trans5339.2-177.1-67.611.7000112.3K45 R96 W164K45-D162 IonicContact NZ-OD2 3.46Å; K45-D162 PolarHBondContact NZ-OD2 3.31Å; R96-D162 IonicContact CZ-OD1 3.96Å; R96-D162 IonicContact NH2-OD1 2.68Å; R96-D162 PolarHBondContact NH2-OD1 3.49Å; D162-W164 VanDerWaalsContact CA-CE2 3.4Å; D162-W164 HydrophobicContact CB-CZ2 3.74Å; D162-W164 VanDerWaalsContact CG-CZ2 3.5Å; D162-W164 PolarHBondContact O-N 2.99Å; D162-W164 PolarHBondContact O-NE1 3.31Å; D162-W164 VanDerWaalsContact OD1-CZ2 3.32Å; D162-W164 WeakPolarHBondContact OD1-CZ2 3.13Å
163I76.7Confident76.6Confident11 Ų1128.8 Ų28.86%0.05615%0.146CC..  trans-85.9103.9172.7-61.9174000107.2V73 V132 L136 M160 T161V73-I163 HydrophobicContact CB-CD1 4.15Å; V73-I163 HydrophobicContact CG1-CD1 3.74Å; V73-I163 HydrophobicContact CG2-CD1 3.3Å; V132-I163 HydrophobicContact CG1-CD1 3.48Å; V132-I163 VanDerWaalsContact CG1-CD1 3.48Å; L136-I163 HydrophobicContact CD1-CD1 4.26Å; L136-I163 HydrophobicContact CD1-CG2 3.44Å; L136-I163 VanDerWaalsContact CD1-CG2 3.44Å; L136-I163 HydrophobicContact CD2-CG2 3.41Å; L136-I163 VanDerWaalsContact CD2-CG2 3.41Å; L136-I163 HydrophobicContact CG-CG2 4.03Å; M160-I163 HydrophobicContact CB-CD1 4.12Å; M160-I163 HydrophobicContact CG-CD1 3.85Å; M160-I163 HydrophobicContact CG-CG1 4.06Å; M160-I163 HydrophobicContact SD-CD1 3.86Å; M160-I163 HydrophobicContact SD-CG1 4.1Å; T161-I163 PolarHBondContact O-N 2.87Å
164W71.4Confident74.9Confident13 Ų1329.5 Ų29.55%0.04915%0.154CC..  trans-116.7169.3-174-45.2135.7000111.5Q27 K45 F62 I76 V94 D162 L168 M169Q27-W164 VanDerWaalsContact CD-NE1 3.32Å; K45-W164 HydrophobicContact CG-CZ2 4.49Å; F62-W164 HydrophobicContact CD1-CE3 4.38Å; F62-W164 HydrophobicContact CD1-CZ3 4.4Å; F62-W164 HydrophobicContact CE1-CD2 4.17Å; F62-W164 AromaticContact CE1-CE3 3.41Å; F62-W164 HydrophobicContact CE1-CE3 3.41Å; F62-W164 VanDerWaalsContact CE1-CE3 3.41Å; F62-W164 HydrophobicContact CE1-CH2 4.25Å; F62-W164 AromaticContact CE1-CZ3 3.46Å; F62-W164 HydrophobicContact CE1-CZ3 3.46Å; F62-W164 VanDerWaalsContact CE1-CZ3 3.46Å; F62-W164 HydrophobicContact CZ-CE3 4.14Å; F62-W164 HydrophobicContact CZ-CZ3 4.19Å; I76-W164 HydrophobicContact CD1-CZ3 4.26Å; V94-W164 HydrophobicContact CG2-CH2 3.88Å; V94-W164 HydrophobicContact CG2-CZ3 4.34Å; D162-W164 VanDerWaalsContact CA-CE2 3.4Å; D162-W164 HydrophobicContact CB-CZ2 3.74Å; D162-W164 VanDerWaalsContact CG-CZ2 3.5Å; D162-W164 PolarHBondContact O-N 2.99Å; D162-W164 PolarHBondContact O-NE1 3.31Å; D162-W164 VanDerWaalsContact OD1-CZ2 3.32Å; D162-W164 WeakPolarHBondContact OD1-CZ2 3.13Å; W164-L168 HydrophobicContact CB-CB 3.8Å; W164-L168 HydrophobicContact CB-CD2 3.69Å; W164-L168 HydrophobicContact CB-CG 3.86Å; W164-L168 HydrophobicContact CD2-CD2 3.73Å; W164-L168 HydrophobicContact CE3-CD2 4.39Å; W164-L168 HydrophobicContact CG-CB 4.37Å; W164-L168 HydrophobicContact CG-CD2 3.41Å; W164-L168 VanDerWaalsContact CG-CD2 3.41Å; W164-L168 HydrophobicContact CG-CG 3.87Å; W164-M169 HydrophobicContact CB-CE 3.79Å; W164-M169 HydrophobicContact CB-CG 4.44Å; W164-M169 HydrophobicContact CG-CE 3.9Å
165G66.4Low73.3Confident3 Ų329.4 Ų29.43%0.03115%0.152CC..  trans-80.2174.4177.300000111.9E61 N167 L168 M169E61-G165 WeakPolarHBondContact OE1-CA 3.42Å; G165-N167 VanDerWaalsContact C-N 3.27Å; G165-N167 PolarHBondContact O-N 3.14Å; G165-L168 PolarHBondContact O-N 2.97Å; G165-M169 WeakPolarHBondContact O-CB 3.37Å; G165-M169 WeakPolarHBondContact O-CG 3.34Å; G165-M169 PolarHBondContact O-N 2.95Å
166P63.8Low71.8Confident35 Ų3525.8 Ų25.823%0.22713%0.133CC..Hα-helixtrans-56.2-36.4-173.224.5-35.1000113.9E61 M169 N170E61-P166 WeakPolarHBondContact OE1-CD 3.41Å; P166-M169 PolarHBondContact O-N 3.45Å; P166-N170 WeakPolarHBondContact O-CB 3.46Å; P166-N170 PolarHBondContact O-N 3.42Å; P166-N170 PolarHBondContact O-ND2 2.83Å
167N65.7Low70.3Confident11 Ų1117.1 Ų17.16%0.05910%0.096CC..Hα-helixtrans-73.8-46.7-175.6-72.7-36.1000111.5L57 L58 E61 G165 M169 N170 Y171 Y178L57-N167 HydrophobicContact CD2-CB 4.23Å; L58-N167 HydrophobicContact CD2-CB 4.43Å; E61-N167 PolarHBondContact OE1-N 2.94Å; E61-N167 WeakPolarHBondContact OE2-CB 3.15Å; G165-N167 VanDerWaalsContact C-N 3.27Å; G165-N167 PolarHBondContact O-N 3.14Å; N167-M169 VanDerWaalsContact C-N 3.25Å; N167-M169 PolarHBondContact O-N 3.28Å; N167-N170 PolarHBondContact O-N 3.45Å; N167-Y171 WeakPolarHBondContact O-CB 3.29Å; N167-Y171 PolarHBondContact O-N 3.44Å; N167-Y178 PolarHBondContact OD1-O 3.01Å
168L68.2Low68.6Low0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-64.8-32.1173.1-171.551.6000112.2I47 L58 E61 F62 W164 G165 Y171 A172I47-L168 HydrophobicContact CD1-CD1 4.36Å; I47-L168 HydrophobicContact CD1-CD2 3.7Å; I47-L168 HydrophobicContact CG2-CD1 4.15Å; L58-L168 HydrophobicContact CD1-CD1 4.14Å; L58-L168 HydrophobicContact CD2-CB 3.78Å; L58-L168 HydrophobicContact CD2-CD1 4.1Å; L58-L168 HydrophobicContact CD2-CG 4.44Å; E61-L168 WeakPolarHBondContact OE2-CB 3.39Å; E61-L168 PolarHBondContact OE2-N 3.17Å; F62-L168 HydrophobicContact CE1-CD2 3.98Å; F62-L168 HydrophobicContact CE2-CD2 3.95Å; F62-L168 HydrophobicContact CZ-CD2 3.27Å; W164-L168 HydrophobicContact CB-CB 3.8Å; W164-L168 HydrophobicContact CB-CD2 3.69Å; W164-L168 HydrophobicContact CB-CG 3.86Å; W164-L168 HydrophobicContact CD2-CD2 3.73Å; W164-L168 HydrophobicContact CE3-CD2 4.39Å; W164-L168 HydrophobicContact CG-CB 4.37Å; W164-L168 HydrophobicContact CG-CD2 3.41Å; W164-L168 VanDerWaalsContact CG-CD2 3.41Å; W164-L168 HydrophobicContact CG-CG 3.87Å; G165-L168 PolarHBondContact O-N 2.97Å; L168-Y171 HydrophobicContact CD1-CD1 3.86Å; L168-A172 WeakPolarHBondContact O-CB 3.3Å; L168-A172 PolarHBondContact O-N 3.43Å
169M66Low66.1Low2 Ų223.5 Ų23.51%0.0112%0.122CC..Hα-helixtrans-65.3-47.6172.2-69.3-70.178.900111.5Y145 W164 G165 P166 N167 Y171 A172 R173Y145-M169 WeakPolarHBondContact CB-SD 3.33Å; Y145-M169 PolarHBondContact N-SD 2.98Å; W164-M169 HydrophobicContact CB-CE 3.79Å; W164-M169 HydrophobicContact CB-CG 4.44Å; W164-M169 HydrophobicContact CG-CE 3.9Å; G165-M169 WeakPolarHBondContact O-CB 3.37Å; G165-M169 WeakPolarHBondContact O-CG 3.34Å; G165-M169 PolarHBondContact O-N 2.95Å; P166-M169 PolarHBondContact O-N 3.45Å; N167-M169 VanDerWaalsContact C-N 3.25Å; N167-M169 PolarHBondContact O-N 3.28Å; M169-Y171 VanDerWaalsContact C-N 3.34Å; M169-Y171 PolarHBondContact O-N 3.13Å; M169-A172 HydrophobicContact CE-CB 4.25Å; M169-A172 PolarHBondContact O-N 3.1Å; M169-R173 VanDerWaalsContact O-CB 3.22Å; M169-R173 WeakPolarHBondContact O-CB 3.35Å; M169-R173 VanDerWaalsContact O-CD 3.25Å; M169-R173 WeakPolarHBondContact O-CD 3.4Å; M169-R173 WeakPolarHBondContact O-CG 3.3Å; M169-R173 PolarHBondContact O-N 3.45Å
170N67Low63.7Low27 Ų2723.9 Ų23.914%0.14413%0.125CC..Hα-helixtrans-61.3-43.7175.9-70.7-18000111.3P166 N167 A172 R173 G174 V175P166-N170 WeakPolarHBondContact O-CB 3.46Å; P166-N170 PolarHBondContact O-N 3.42Å; P166-N170 PolarHBondContact O-ND2 2.83Å; N167-N170 PolarHBondContact O-N 3.45Å; N170-A172 PolarHBondContact O-N 3.37Å; N170-R173 CarbonylContact O-C 3.47Å; N170-R173 PolarHBondContact O-N 2.96Å; N170-G174 PolarHBondContact O-N 3.16Å; N170-V175 HydrophobicContact CB-CB 4.17Å; N170-V175 PolarHBondContact O-N 3.33Å
171Y67Low61.3Low44 Ų4426.3 Ų26.317%0.17314%0.142CC..Hα-helixtrans-57.4-49.2173179.6-109.3000111.9I47 E48 R50 H54 N167 L168 M169 R173 G174 I177I47-Y171 HydrophobicContact CG2-CE1 4.35Å; E48-Y171 PolarHBondContact O-OH 2.98Å; R50-Y171 HydrophobicContact CG-CE2 3.86Å; H54-Y171 AromaticContact CE1-CD2 3.51Å; H54-Y171 AromaticContact CE1-CE2 3.62Å; H54-Y171 AromaticContact CE1-CG 3.82Å; H54-Y171 AromaticContact CE1-CZ 3.98Å; H54-Y171 AromaticContact NE2-CD2 3.78Å; H54-Y171 AromaticContact NE2-CG 3.89Å; N167-Y171 WeakPolarHBondContact O-CB 3.29Å; N167-Y171 PolarHBondContact O-N 3.44Å; L168-Y171 HydrophobicContact CD1-CD1 3.86Å; M169-Y171 VanDerWaalsContact C-N 3.34Å; M169-Y171 PolarHBondContact O-N 3.13Å; Y171-R173 VanDerWaalsContact C-N 3.27Å; Y171-R173 PolarHBondContact O-N 3.47Å; Y171-G174 PolarHBondContact O-N 2.88Å; Y171-G174 VanDerWaalsContact O-N 3.15Å; Y171-I177 HydrophobicContact CD2-CD1 4.32Å
172A62.2Low59.1Low5 Ų528.1 Ų28.14%0.04115%0.149CC..Hα-helixtrans-64.7-31.7178.600000112.9Q27 L168 M169 N170 G174 P209Q27-A172 HydrophobicContact CG-CB 3.57Å; L168-A172 WeakPolarHBondContact O-CB 3.3Å; L168-A172 PolarHBondContact O-N 3.43Å; M169-A172 HydrophobicContact CE-CB 4.25Å; M169-A172 PolarHBondContact O-N 3.1Å; N170-A172 PolarHBondContact O-N 3.37Å; A172-G174 VanDerWaalsContact C-N 3.33Å; A172-P209 WeakPolarHBondContact O-CB 3.3Å; A172-P209 VanDerWaalsContact O-CG 3.24Å; A172-P209 WeakPolarHBondContact O-CG 3.42Å
173R61.8Low57.3Low13 Ų1334 Ų345%0.04918%0.176CC..Hα-helixtrans-79.5-13.7177.4-70.7163.1170.9175-1.4112.6S143 I144 Y145 M169 N170 Y171 V175 P209 F222 F224S143-R173 PolarHBondContact O-NH2 2.92Å; S143-R173 VanDerWaalsContact O-NH2 3.07Å; S143-R173 PolarHBondContact OG-NH2 3.44Å; I144-R173 PolarHBondContact O-NH2 2.88Å; Y145-R173 HydrophobicContact CD2-CG 4.23Å; M169-R173 VanDerWaalsContact O-CB 3.22Å; M169-R173 WeakPolarHBondContact O-CB 3.35Å; M169-R173 VanDerWaalsContact O-CD 3.25Å; M169-R173 WeakPolarHBondContact O-CD 3.4Å; M169-R173 WeakPolarHBondContact O-CG 3.3Å; M169-R173 PolarHBondContact O-N 3.45Å; N170-R173 CarbonylContact O-C 3.47Å; N170-R173 PolarHBondContact O-N 2.96Å; Y171-R173 VanDerWaalsContact C-N 3.27Å; Y171-R173 PolarHBondContact O-N 3.47Å; R173-V175 VanDerWaalsContact C-N 3.3Å; R173-V175 HydrophobicContact CB-CG2 3.84Å; R173-P209 WeakPolarHBondContact O-CG 3.27Å; R173-F222 VanDerWaalsContact O-CD1 3.28Å; R173-F222 WeakPolarHBondContact O-CD1 3.49Å; R173-F222 WeakPolarHBondContact O-CE1 3.36Å; R173-F224 HydrophobicContact CB-CE2 3.75Å; R173-F224 HydrophobicContact CB-CZ 3.92Å; R173-F224 VanDerWaalsContact CD-CD2 3.45Å; R173-F224 VanDerWaalsContact CD-CE2 3.43Å; R173-F224 HydrophobicContact CG-CD1 4.44Å; R173-F224 HydrophobicContact CG-CD2 4.16Å; R173-F224 HydrophobicContact CG-CE1 3.92Å; R173-F224 HydrophobicContact CG-CE2 3.6Å; R173-F224 HydrophobicContact CG-CZ 3.47Å; R173-F224 VanDerWaalsContact CG-CZ 3.47Å; R173-F224 VanDerWaalsContact CZ-CB 3.41Å; R173-F224 VanDerWaalsContact CZ-CD1 3.44Å; R173-F224 VanDerWaalsContact NE-CD1 3.25Å; R173-F224 VanDerWaalsContact NE-CG 3.33Å; R173-F224 VanDerWaalsContact NH1-CB 3.32Å
174G59.1Low55.7Low17 Ų1736.8 Ų36.818%0.17519%0.187CC..THydrogen-bonded Turntrans74.720.4-17400000113.8N170 Y171 A172 R206N170-G174 PolarHBondContact O-N 3.16Å; Y171-G174 PolarHBondContact O-N 2.88Å; Y171-G174 VanDerWaalsContact O-N 3.15Å; A172-G174 VanDerWaalsContact C-N 3.33Å; G174-R206 PolarHBondContact O-NE 2.99Å
175V55.8Low54.3Low21 Ų2138.6 Ų38.613%0.12720%0.197CC..PPolyproline II helixtrans-87.8155.8173.9-172.50000109.2N170 R173 F222 F224N170-V175 HydrophobicContact CB-CB 4.17Å; N170-V175 PolarHBondContact O-N 3.33Å; R173-V175 VanDerWaalsContact C-N 3.3Å; R173-V175 HydrophobicContact CB-CG2 3.84Å; V175-F222 HydrophobicContact CG2-CB 3.67Å; V175-F222 HydrophobicContact CG2-CD1 3.59Å; V175-F222 HydrophobicContact CG2-CG 3.96Å; V175-F224 HydrophobicContact CG2-CE2 4.4Å
176D50.3Low53Low35 Ų3546 Ų4619%0.18723%0.233CC..PPolyproline II helixtrans-60140.3176.3-56.5-55000110.4E197 R206D176-E197 HydrophobicContact CB-CG 4.42Å; D176-R206 IonicContact OD1-NH2 3.06Å; D176-R206 PolarHBondContact OD1-NH2 3.16Å; D176-R206 IonicContact OD2-NH2 2.75Å; D176-R206 PolarHBondContact OD2-NH2 2.61Å
177I48.9Very low51.9Low12 Ų1247.4 Ų47.46%0.06224%0.238CC..PPolyproline II helixtrans-83.4123.5-178.8-61161.8000106.3H54 L57 Y171 C198H54-I177 VanDerWaalsContact CD2-CD1 3.47Å; H54-I177 WeakPolarHBondContact CD2-CD1 3.31Å; L57-I177 HydrophobicContact CD2-CG2 3.64Å; Y171-I177 HydrophobicContact CD2-CD1 4.32Å; I177-C198 PolarHBondContact O-N 3.39Å
178Y47.1Very low51.2Low87 Ų8751.6 Ų51.634%0.34127%0.266SS..EExtended strand (participates in β ladder)trans-87.5122.2172.3-66.3-75.1000108.5N167 Q180 A195N167-Y178 PolarHBondContact OD1-O 3.01Å; Y178-Q180 PolarHBondContact O-N 2.73Å; Y178-Q180 VanDerWaalsContact O-N 3.08Å; Y178-A195 HydrophobicContact CD1-CB 3.43Å; Y178-A195 VanDerWaalsContact CD1-CB 3.43Å; Y178-A195 HydrophobicContact CE1-CB 4.23Å; Y178-A195 HydrophobicContact CG-CB 4.01Å
179V39.8Very low50.4Low69 Ų6958.3 Ų58.342%0.41830%0.302SS..EExtended strand (participates in β ladder)trans-79.487.1161.1-176.10000105.9I196V179-I196 PolarHBondContact N-O 2.9Å; V179-I196 VanDerWaalsContact N-O 3.12Å; V179-I196 PolarHBondContact O-N 3.28Å
180Q41.2Very low49.4Very low75 Ų7560 Ų6035%0.3531%0.311SS..  trans-95.4129.3160.7-77.3-175.9-28.200107.7Y178 F182 Y184 A195Y178-Q180 PolarHBondContact O-N 2.73Å; Y178-Q180 VanDerWaalsContact O-N 3.08Å; Q180-F182 PolarHBondContact O-N 3.34Å; Q180-Y184 HydrophobicContact CB-CD1 3.97Å; Q180-Y184 HydrophobicContact CB-CE1 3.7Å; Q180-A195 HydrophobicContact CG-CB 3.54Å
181S39.9Very low48.7Very low53 Ų5363.6 Ų63.637%0.37134%0.338SS..  trans-60.3122.5174.453.80000109.3E183 Y184S181-E183 PolarHBondContact O-N 3.01Å; S181-Y184 WeakPolarHBondContact O-CD1 3.47Å; S181-Y184 PolarHBondContact O-N 3.08Å
182F41.9Very low47.7Very low46 Ų4664.7 Ų64.720%0.20236%0.362CS..G310 helixtrans-51.3-15.2-177.8-109.9-92.7000115E61 H64 Q180 Y184 I185E61-F182 HydrophobicContact CB-CE2 4.01Å; E61-F182 HydrophobicContact CB-CZ 3.65Å; E61-F182 HydrophobicContact CG-CZ 4.01Å; H64-F182 HydrophobicContact CB-CE1 4.01Å; H64-F182 AromaticContact CD2-CD1 3.94Å; H64-F182 AromaticContact CE1-CD1 3.67Å; H64-F182 AromaticContact CG-CD1 3.9Å; H64-F182 AromaticContact CG-CE1 3.59Å; H64-F182 AromaticContact ND1-CD1 3.71Å; H64-F182 AromaticContact ND1-CE1 3.55Å; H64-F182 AromaticContact NE2-CD1 3.86Å; Q180-F182 PolarHBondContact O-N 3.34Å; F182-Y184 PolarHBondContact O-N 3.17Å; F182-I185 HydrophobicContact CD1-CD1 3.77Å; F182-I185 HydrophobicContact CE1-CD1 3.72Å; F182-I185 PolarHBondContact O-N 3.43Å
183E43.6Very low46.8Very low135 Ų13570 Ų7063%0.63139%0.386SS*.G310 helixtrans-58.8-26.1177.4-61-172169.200114S181 I185 M186 N187 L190S181-E183 PolarHBondContact O-N 3.01Å; E183-I185 VanDerWaalsContact C-N 3.25Å; E183-I185 PolarHBondContact O-N 3.19Å; E183-M186 PolarHBondContact O-N 3.28Å; E183-N187 PolarHBondContact O-N 3.49Å; E183-N187 VanDerWaalsContact O-N 3.09Å; E183-L190 HydrophobicContact CB-CD1 3.61Å
184Y42.3Very low45.7Very low69 Ų6977.3 Ų77.327%0.27143%0.426SS..G310 helixtrans-65.3-26.2178.780.2-96.5000113.5Q180 S181 F182 M186 N187Q180-Y184 HydrophobicContact CB-CD1 3.97Å; Q180-Y184 HydrophobicContact CB-CE1 3.7Å; S181-Y184 WeakPolarHBondContact O-CD1 3.47Å; S181-Y184 PolarHBondContact O-N 3.08Å; F182-Y184 PolarHBondContact O-N 3.17Å; Y184-M186 PolarHBondContact O-N 2.87Å; Y184-N187 CarbonylContact O-C 3.56Å; Y184-N187 PolarHBondContact O-N 3.44Å
185I41.4Very low45Very low52 Ų5277.9 Ų77.927%0.26743%0.429SS..G310 helixtrans-64.6-28.5176.5-63.4179.2000110.4F182 E183F182-I185 HydrophobicContact CD1-CD1 3.77Å; F182-I185 HydrophobicContact CE1-CD1 3.72Å; F182-I185 PolarHBondContact O-N 3.43Å; E183-I185 VanDerWaalsContact C-N 3.25Å; E183-I185 PolarHBondContact O-N 3.19Å
186M39.9Very low44.3Very low159 Ų15982.6 Ų82.678%0.78345%0.452SS*.THydrogen-bonded Turntrans-94.1-23.1179.5-64.5-66.2-154.300113E183 Y184E183-M186 PolarHBondContact O-N 3.28Å; Y184-M186 PolarHBondContact O-N 2.87Å
187N41.3Very low43.8Very low63 Ų6385.8 Ų85.834%0.33747%0.466SS..  trans-134.7104.6-177.8-170.4-1000111.9E183 Y184 D189 L190E183-N187 PolarHBondContact O-N 3.49Å; E183-N187 VanDerWaalsContact O-N 3.09Å; Y184-N187 CarbonylContact O-C 3.56Å; Y184-N187 PolarHBondContact O-N 3.44Å; N187-D189 PolarHBondContact O-N 3.16Å; N187-D189 VanDerWaalsContact O-N 3.08Å; N187-D189 VanDerWaalsContact OD1-CB 3.3Å; N187-D189 WeakPolarHBondContact OD1-CB 3.33Å; N187-D189 PolarHBondContact OD1-N 3.03Å; N187-D189 PolarHBondContact OD1-OD2 3.02Å; N187-L190 HydrophobicContact CB-CD1 4.12Å; N187-L190 HydrophobicContact CB-CG 4.27Å; N187-L190 PolarHBondContact O-N 3.08Å; N187-L190 VanDerWaalsContact O-N 3.11Å
188P50.9Low43.6Very low99 Ų9988.1 Ų88.164%0.64348%0.483SS*.G310 helixtrans-55.7-24.4175.7-22.832.3000114.2L190 S191P188-L190 PolarHBondContact O-N 3.36Å; P188-S191 WeakPolarHBondContact O-CB 3.44Å; P188-S191 PolarHBondContact O-N 3.44Å; P188-S191 VanDerWaalsContact O-N 3.08Å; P188-S191 PolarHBondContact O-OG 2.96Å
189D50.5Low43.3Very low141 Ų14192.4 Ų92.475%0.75451%0.506SS*.G310 helixtrans-66.3-19.4-179.7-60.5-24000112.6N187 S191N187-D189 PolarHBondContact O-N 3.16Å; N187-D189 VanDerWaalsContact O-N 3.08Å; N187-D189 VanDerWaalsContact OD1-CB 3.3Å; N187-D189 WeakPolarHBondContact OD1-CB 3.33Å; N187-D189 PolarHBondContact OD1-N 3.03Å; N187-D189 PolarHBondContact OD1-OD2 3.02Å; D189-S191 VanDerWaalsContact C-N 3.3Å
190L46.6Very low43.4Very low38 Ų3892.5 Ų92.520%0.19951%0.513CS..G310 helixtrans-83.8-1.6175.7-62.9172.9000113.3E183 N187 P188 G192 E193E183-L190 HydrophobicContact CB-CD1 3.61Å; N187-L190 HydrophobicContact CB-CD1 4.12Å; N187-L190 HydrophobicContact CB-CG 4.27Å; N187-L190 PolarHBondContact O-N 3.08Å; N187-L190 VanDerWaalsContact O-N 3.11Å; P188-L190 PolarHBondContact O-N 3.36Å; L190-G192 PolarHBondContact O-N 3.22Å; L190-E193 PolarHBondContact O-N 2.91Å
191S50.8Low43.4Very low102 Ų10295.2 Ų95.271%0.71353%0.53SS*.G310 helixtrans-60.3-14.1177.958.70000114.4P188 D189P188-S191 WeakPolarHBondContact O-CB 3.44Å; P188-S191 PolarHBondContact O-N 3.44Å; P188-S191 VanDerWaalsContact O-N 3.08Å; P188-S191 PolarHBondContact O-OG 2.96Å; D189-S191 VanDerWaalsContact C-N 3.3Å
192G45.8Very low43.4Very low67 Ų67102.5 Ų102.569%0.69156%0.559SS**G310 helixtrans-88-9.3175.300000115.4L190 L194L190-G192 PolarHBondContact O-N 3.22Å; G192-L194 PolarHBondContact O-N 3.39Å
193E44.2Very low43.5Very low116 Ų116106 Ų10654%0.54258%0.578SS.*SBendtrans-71.8117.5174.9-70.9-168.616700109.8L190 A195L190-E193 PolarHBondContact O-N 2.91Å; E193-A195 PolarHBondContact O-N 2.64Å; E193-A195 VanDerWaalsContact O-N 3.17Å
194L38.8Very low43.4Very low168 Ų168104.9 Ų104.988%0.8858%0.583SS**PPolyproline II helixtrans-56.7120.7176-80.8157.1000108.9G192 I196G192-L194 PolarHBondContact O-N 3.39Å; L194-I196 PolarHBondContact O-N 3.27Å
195A43.4Very low43.4Very low29 Ų29113 Ų11324%0.2461%0.613CS.*PPolyproline II helixtrans-53127169.500000109.4Y178 Q180 E193 E197Y178-A195 HydrophobicContact CD1-CB 3.43Å; Y178-A195 VanDerWaalsContact CD1-CB 3.43Å; Y178-A195 HydrophobicContact CE1-CB 4.23Å; Y178-A195 HydrophobicContact CG-CB 4.01Å; Q180-A195 HydrophobicContact CG-CB 3.54Å; E193-A195 PolarHBondContact O-N 2.64Å; E193-A195 VanDerWaalsContact O-N 3.17Å; A195-E197 PolarHBondContact O-N 2.74Å; A195-E197 VanDerWaalsContact O-N 3.13Å
196I42.7Very low43.6Very low120 Ų120117.4 Ų117.462%0.61563%0.626SS**EExtended strand (participates in β ladder)trans-76.2107.1171.2-58.5173.1000106.1V179 L194 C198V179-I196 PolarHBondContact N-O 2.9Å; V179-I196 VanDerWaalsContact N-O 3.12Å; V179-I196 PolarHBondContact O-N 3.28Å; L194-I196 PolarHBondContact O-N 3.27Å; I196-C198 PolarHBondContact O-N 3.13Å
197E39Very low44Very low101 Ų101120.9 Ų120.947%0.47263%0.631SS.*EExtended strand (participates in β ladder)trans-65.2115.8169.4-168.4174.7-168.900107.6D176 A195 H199D176-E197 HydrophobicContact CB-CG 4.42Å; A195-E197 PolarHBondContact O-N 2.74Å; A195-E197 VanDerWaalsContact O-N 3.13Å; E197-H199 PolarHBondContact O-N 3.3Å
198C45Very low44.7Very low62 Ų62123.5 Ų123.542%0.41964%0.644SS.*  trans-64.8110.5167.9-77.60000107.5I177 I196 A200I177-C198 PolarHBondContact O-N 3.39Å; I196-C198 PolarHBondContact O-N 3.13Å; C198-A200 PolarHBondContact O-N 2.85Å; C198-A200 VanDerWaalsContact O-N 3.13Å
199H40Very low45.1Very low177 Ų177119 Ų11982%0.81962%0.615SS**PPolyproline II helixtrans-50.8123.7172.2-74.2-64.9000108.9E197 D201E197-H199 PolarHBondContact O-N 3.3Å; H199-D201 PolarHBondContact O-N 3.1Å; H199-D201 VanDerWaalsContact O-N 3.13Å
200A42.4Very low45.7Very low70 Ų70119 Ų11958%0.57961%0.605SS**PPolyproline II helixtrans-57.9120.4174.200000108.3C198 E202C198-A200 PolarHBondContact O-N 2.85Å; C198-A200 VanDerWaalsContact O-N 3.13Å; A200-E202 PolarHBondContact O-N 3.13Å
201D41.1Very low47Very low132 Ų132120.5 Ų120.571%0.70661%0.608SS**PPolyproline II helixtrans-49.6138.2152.7-77.6-34.1000106.7H199 L203H199-D201 PolarHBondContact O-N 3.1Å; H199-D201 VanDerWaalsContact O-N 3.13Å; D201-L203 HydrophobicContact CB-CD1 4.27Å; D201-L203 HydrophobicContact CB-CG 4.17Å; D201-L203 VanDerWaalsContact O-CB 3.31Å; D201-L203 WeakPolarHBondContact O-CB 3.48Å; D201-L203 VanDerWaalsContact O-CG 3.26Å; D201-L203 WeakPolarHBondContact O-CG 3.42Å; D201-L203 PolarHBondContact O-N 3.13Å
202E39.2Very low48.1Very low207 Ų207116.3 Ų116.397%0.96758%0.577SS**SBendtrans-55.384.7-179.9-66.7-177.3161.800110.4A200A200-E202 PolarHBondContact O-N 3.13Å
203L45.2Very low49.9Very low118 Ų118116.8 Ų116.862%0.61856%0.562SS**  trans-105.2144.1-166.4-84.3164.9000111.7D201 R205D201-L203 HydrophobicContact CB-CD1 4.27Å; D201-L203 HydrophobicContact CB-CG 4.17Å; D201-L203 VanDerWaalsContact O-CB 3.31Å; D201-L203 WeakPolarHBondContact O-CB 3.48Å; D201-L203 VanDerWaalsContact O-CG 3.26Å; D201-L203 WeakPolarHBondContact O-CG 3.42Å; D201-L203 PolarHBondContact O-N 3.13Å; L203-R205 PolarHBondContact O-N 3.06Å
204P40.4Very low52.1Low113 Ų113111.4 Ų111.473%0.73454%0.536SS*.  trans-70.9129.8-173.229-32.2000111R206P204-R206 PolarHBondContact O-N 2.89Å
205R42.8Very low54.4Low240 Ų240103.7 Ų103.791%0.90650%0.496SS*.  trans20.495.8163-65.5-177.1-178.1-178.50.9114.7L203 R207L203-R205 PolarHBondContact O-N 3.06Å; R205-R207 PolarHBondContact O-N 3.47Å
206R45.7Very low56.6Low143 Ų143102.3 Ų102.354%0.5449%0.485SS..  trans-37.5122168.8-68.6-178.9174.1169.5-3110.4G174 D176 P204G174-R206 PolarHBondContact O-NE 2.99Å; D176-R206 IonicContact OD1-NH2 3.06Å; D176-R206 PolarHBondContact OD1-NH2 3.16Å; D176-R206 IonicContact OD2-NH2 2.75Å; D176-R206 PolarHBondContact OD2-NH2 2.61Å; P204-R206 PolarHBondContact O-N 2.89Å
207R48.8Very low58.9Low233 Ų23398.2 Ų98.288%0.87947%0.466SS*.PPolyproline II helixtrans-80.5129.1164.2-73.9-174.1179.6179.90.5107.6R205R205-R207 PolarHBondContact O-N 3.47Å
208L56.8Low61.3Low117 Ų11794.1 Ų94.161%0.61345%0.447SS*.PPolyproline II helixtrans-54.9136.7171-74.1171.4000109.6I212L208-I212 HydrophobicContact CB-CG2 4.03Å; L208-I212 HydrophobicContact CD1-CG2 4.41Å; L208-I212 HydrophobicContact CD2-CD1 3.82Å; L208-I212 HydrophobicContact CD2-CG2 4.41Å
209P58.2Low63.1Low4 Ų491.3 Ų91.33%0.02643%0.428CS..PPolyproline II helixtrans-51.2140.8171.6-25.533.5000111.1Y145 A172 R173 Y211 I212Y145-P209 HydrophobicContact CE2-CB 4.06Å; Y145-P209 WeakPolarHBondContact OH-CB 3.49Å; A172-P209 WeakPolarHBondContact O-CB 3.3Å; A172-P209 VanDerWaalsContact O-CG 3.24Å; A172-P209 WeakPolarHBondContact O-CG 3.42Å; R173-P209 WeakPolarHBondContact O-CG 3.27Å; P209-Y211 PolarHBondContact O-N 3.35Å; P209-I212 HydrophobicContact CB-CB 4.45Å; P209-I212 WeakPolarHBondContact O-CB 3.1Å; P209-I212 PolarHBondContact O-N 2.91Å
210R63.3Low65Low143 Ų14386.7 Ų86.754%0.5442%0.416SS..THydrogen-bonded Turntrans-63.9134.5171-76.2-165.7-166.6171.711.4109.3K24 Y145K24-R210 PolarHBondContact O-NH1 3.26Å; K24-R210 PolarHBondContact O-NH2 3.09Å; Y145-R210 VanDerWaalsContact OH-C 3.31Å; Y145-R210 PolarHBondContact OH-O 3.26Å
211Y72.8Confident66.6Low69 Ų6992 Ų9227%0.27142%0.421SS..THydrogen-bonded Turntrans78.28.4-175.8-53.1-81.8000115.2H147 P209 E213 W214H147-Y211 HydrophobicContact CB-CD1 4.37Å; H147-Y211 HydrophobicContact CB-CG 4.02Å; H147-Y211 AromaticContact CE1-CD2 3.28Å; H147-Y211 WeakPolarHBondContact CE1-CD2 3.26Å; H147-Y211 AromaticContact CE1-CE2 3.46Å; H147-Y211 VanDerWaalsContact CE1-CE2 3.46Å; H147-Y211 WeakPolarHBondContact CE1-CE2 3.31Å; H147-Y211 AromaticContact CE1-CG 3.89Å; H147-Y211 AromaticContact CG-CD2 3.84Å; H147-Y211 AromaticContact CG-CG 3.67Å; H147-Y211 AromaticContact ND1-CD1 3.77Å; H147-Y211 AromaticContact ND1-CD2 3.25Å; H147-Y211 WeakPolarHBondContact ND1-CD2 3.4Å; H147-Y211 AromaticContact ND1-CE2 3.58Å; H147-Y211 AromaticContact ND1-CG 3.36Å; H147-Y211 AromaticContact ND1-CZ 3.97Å; H147-Y211 AromaticContact NE2-CD2 3.8Å; P209-Y211 PolarHBondContact O-N 3.35Å; Y211-E213 WeakPolarHBondContact CA-OE2 3.4Å; Y211-E213 PolarHBondContact N-OE2 2.82Å; Y211-E213 PolarHBondContact O-N 3.28Å; Y211-E213 VanDerWaalsContact O-N 3.08Å; Y211-W214 AromaticContact CD1-CD1 3.68Å; Y211-W214 AromaticContact CD1-NE1 3.75Å; Y211-W214 WeakPolarHBondContact O-CB 3.32Å; Y211-W214 PolarHBondContact O-N 3.43Å
212I75.3Confident68.1Low14 Ų1488.3 Ų88.37%0.07240%0.398CS..G310 helixtrans-58.7-22.6170.2-159.3179.2000111.5Y145 L208 P209 W214 C215 K259Y145-I212 PolarHBondContact OH-N 3.43Å; L208-I212 HydrophobicContact CB-CG2 4.03Å; L208-I212 HydrophobicContact CD1-CG2 4.41Å; L208-I212 HydrophobicContact CD2-CD1 3.82Å; L208-I212 HydrophobicContact CD2-CG2 4.41Å; P209-I212 HydrophobicContact CB-CB 4.45Å; P209-I212 WeakPolarHBondContact O-CB 3.1Å; P209-I212 PolarHBondContact O-N 2.91Å; I212-W214 PolarHBondContact O-N 3.38Å; I212-C215 HydrophobicContact CG1-CB 4.34Å; I212-C215 WeakPolarHBondContact O-CB 3.28Å; I212-C215 PolarHBondContact O-N 2.97Å; I212-K259 PolarHBondContact O-NZ 3.47Å
213E83.7Confident70Confident77 Ų7782.8 Ų82.836%0.3637%0.373SS..G310 helixtrans-55.7-32.5172.9-55.991160.700111.6Y211 I252 V255 K259Y211-E213 WeakPolarHBondContact CA-OE2 3.4Å; Y211-E213 PolarHBondContact N-OE2 2.82Å; Y211-E213 PolarHBondContact O-N 3.28Å; Y211-E213 VanDerWaalsContact O-N 3.08Å; E213-I252 HydrophobicContact CB-CD1 3.99Å; E213-I252 HydrophobicContact CB-CG2 4Å; E213-I252 HydrophobicContact CG-CG2 3.97Å; E213-V255 WeakPolarHBondContact O-CG1 3.31Å; E213-K259 VanDerWaalsContact O-CE 3.24Å; E213-K259 WeakPolarHBondContact O-CE 3.44Å; E213-K259 PolarHBondContact O-NZ 3.33Å
214W88.7Confident71.6Confident3 Ų378.9 Ų78.91%0.01135%0.351CS..G310 helixtrans-79.3-20.4177.6-67.685.3000113.7I108 H147 P148 Y211 I212 W231 T232 V236 I239 E251 I252 V255I108-W214 HydrophobicContact CD1-CH2 3.91Å; I108-W214 HydrophobicContact CD1-CZ3 4.48Å; H147-W214 HydrophobicContact CB-CB 4.39Å; P148-W214 HydrophobicContact CG-CD2 3.69Å; P148-W214 HydrophobicContact CG-CE3 3.68Å; P148-W214 HydrophobicContact CG-CG 4.44Å; P148-W214 HydrophobicContact CG-CH2 3.81Å; P148-W214 HydrophobicContact CG-CZ2 3.83Å; P148-W214 HydrophobicContact CG-CZ3 3.73Å; Y211-W214 AromaticContact CD1-CD1 3.68Å; Y211-W214 AromaticContact CD1-NE1 3.75Å; Y211-W214 WeakPolarHBondContact O-CB 3.32Å; Y211-W214 PolarHBondContact O-N 3.43Å; I212-W214 PolarHBondContact O-N 3.38Å; W214-W231 WeakPolarHBondContact O-CZ3 3.44Å; W214-T232 VanDerWaalsContact O-CG2 3.3Å; W214-T232 WeakPolarHBondContact O-CG2 3.49Å; W214-V236 HydrophobicContact CE3-CG2 3.96Å; W214-V236 HydrophobicContact CZ3-CG2 4.28Å; W214-I239 HydrophobicContact CH2-CG1 4.36Å; W214-I239 HydrophobicContact CH2-CG2 4.04Å; W214-I239 HydrophobicContact CZ3-CB 4.26Å; W214-I239 HydrophobicContact CZ3-CG1 3.95Å; W214-I239 HydrophobicContact CZ3-CG2 4.24Å; W214-E251 HydrophobicContact CZ2-CB 4.5Å; W214-E251 HydrophobicContact CZ2-CG 4.26Å; W214-I252 HydrophobicContact CZ2-CD1 4.38Å; W214-V255 HydrophobicContact CD2-CG2 4.2Å; W214-V255 HydrophobicContact CE3-CG2 3.86Å; W214-V255 HydrophobicContact CH2-CG2 4.07Å; W214-V255 HydrophobicContact CZ2-CG2 4.39Å; W214-V255 HydrophobicContact CZ3-CG2 3.8Å
215C88Confident73.8Confident6 Ų676.5 Ų76.54%0.04133%0.334CS..SBendtrans-75.3160.8-175.6-62.80000112.6I212 T219 W231 T232 K259I212-C215 HydrophobicContact CG1-CB 4.34Å; I212-C215 WeakPolarHBondContact O-CB 3.28Å; I212-C215 PolarHBondContact O-N 2.97Å; C215-T219 HydrophobicContact CB-CG2 3.83Å; C215-T219 WeakPolarHBondContact CB-OG1 3.13Å; C215-W231 WeakPolarHBondContact O-CZ3 3.4Å; C215-T232 WeakPolarHBondContact CA-OG1 3.37Å; C215-K259 WeakPolarHBondContact O-CE 3.48Å; C215-K259 PolarHBondContact O-NZ 3.25Å
216A90.6Very high75.9Confident0 Ų067.7 Ų67.70%031%0.305CS..  trans-56.5153.8179.500000113.4E218 T219 W231 T232A216-E218 VanDerWaalsContact C-N 3.26Å; A216-E218 WeakPolarHBondContact CB-OE1 3.32Å; A216-E218 VanDerWaalsContact CB-OE2 3.32Å; A216-E218 WeakPolarHBondContact CB-OE2 3.42Å; A216-E218 PolarHBondContact O-N 2.76Å; A216-E218 VanDerWaalsContact O-N 3.16Å; A216-T219 HydrophobicContact CB-CG2 4.18Å; A216-T219 WeakPolarHBondContact O-CB 3.38Å; A216-T219 WeakPolarHBondContact O-CG2 3.26Å; A216-T219 PolarHBondContact O-N 2.67Å; A216-T219 PolarHBondContact O-OG1 3.12Å; A216-W231 HydrophobicContact CB-CB 3.79Å; A216-W231 HydrophobicContact CB-CD2 3.94Å; A216-W231 HydrophobicContact CB-CE3 3.92Å; A216-W231 HydrophobicContact CB-CG 3.89Å; A216-T232 PolarHBondContact N-OG1 3.29Å
217P90.7Very high78.1Confident34 Ų3463.4 Ų63.422%0.22129%0.29CS..G310 helixtrans-52.5-40.4-175.6-26.433.3000114.3T219 S220 W231 K259P217-T219 PolarHBondContact O-N 2.87Å; P217-S220 PolarHBondContact O-N 2.94Å; P217-S220 PolarHBondContact O-OG 3.5Å; P217-W231 HydrophobicContact CG-CZ2 4.24Å; P217-K259 HydrophobicContact CG-CG 4.27Å
218E88.4Confident80.1Confident15 Ų1552.3 Ų52.37%0.0725%0.249CC..G310 helixtrans-67.3-20.5-179.568.8-84.9-164.500113.9A216 S220 R221 E223 S228 P292 R295A216-E218 VanDerWaalsContact C-N 3.26Å; A216-E218 WeakPolarHBondContact CB-OE1 3.32Å; A216-E218 VanDerWaalsContact CB-OE2 3.32Å; A216-E218 WeakPolarHBondContact CB-OE2 3.42Å; A216-E218 PolarHBondContact O-N 2.76Å; A216-E218 VanDerWaalsContact O-N 3.16Å; E218-S220 PolarHBondContact O-N 3.08Å; E218-S220 VanDerWaalsContact O-N 3.13Å; E218-R221 WeakPolarHBondContact O-CB 3.2Å; E218-R221 PolarHBondContact O-N 3.38Å; E218-E223 HydrophobicContact CB-CB 4.26Å; E218-E223 HydrophobicContact CG-CB 4.17Å; E218-S228 WeakPolarHBondContact OE1-CB 3.36Å; E218-P292 HydrophobicContact CB-CG 4.32Å; E218-P292 HydrophobicContact CG-CG 4.02Å; E218-R295 IonicContact OE1-CZ 3.26Å; E218-R295 IonicContact OE1-NH1 3.81Å; E218-R295 PolarHBondContact OE1-NH1 3.45Å; E218-R295 IonicContact OE1-NH2 2.91Å; E218-R295 PolarHBondContact OE1-NH2 2.92Å; E218-R295 IonicContact OE2-CZ 2.72Å; E218-R295 IonicContact OE2-NH1 2.79Å; E218-R295 IonicContact OE2-NH2 3.47Å; E218-R295 PolarHBondContact OE2-NH2 3.36Å
219T82.9Confident81.6Confident3 Ų347.1 Ų47.12%0.01822%0.221CC..G310 helixtrans-66.6-16.9179.265.20000113.2C215 A216 P217 R221 F222 F224C215-T219 HydrophobicContact CB-CG2 3.83Å; C215-T219 WeakPolarHBondContact CB-OG1 3.13Å; A216-T219 HydrophobicContact CB-CG2 4.18Å; A216-T219 WeakPolarHBondContact O-CB 3.38Å; A216-T219 WeakPolarHBondContact O-CG2 3.26Å; A216-T219 PolarHBondContact O-N 2.67Å; A216-T219 PolarHBondContact O-OG1 3.12Å; P217-T219 PolarHBondContact O-N 2.87Å; T219-R221 PolarHBondContact O-N 3.31Å; T219-F222 WeakPolarHBondContact O-CA 3.21Å; T219-F222 PolarHBondContact O-N 3.15Å; T219-F224 HydrophobicContact CG2-CD1 3.69Å; T219-F224 HydrophobicContact CG2-CE1 3.63Å; T219-F224 HydrophobicContact CG2-CG 4.46Å; T219-F224 HydrophobicContact CG2-CZ 4.34Å
220S79.2Confident83.3Confident80 Ų8047 Ų4756%0.55922%0.221SC*.G310 helixtrans-61.1-23.2168.461.30000113.2P217 E218P217-S220 PolarHBondContact O-N 2.94Å; P217-S220 PolarHBondContact O-OG 3.5Å; E218-S220 PolarHBondContact O-N 3.08Å; E218-S220 VanDerWaalsContact O-N 3.13Å
221R77.3Confident84.8Confident181 Ų18140.2 Ų40.268%0.68320%0.195SC*.G310 helixtrans-95.39.6171.5-57.5179.3-175166.31.1112.8E218 T219 E223E218-R221 WeakPolarHBondContact O-CB 3.2Å; E218-R221 PolarHBondContact O-N 3.38Å; T219-R221 PolarHBondContact O-N 3.31Å; R221-E223 HydrophobicContact CB-CG 4.22Å; R221-E223 PolarHBondContact O-N 2.82Å
222F72.8Confident85.7Confident54 Ų5437.1 Ų37.124%0.23718%0.183CC..THydrogen-bonded Turntrans62.823.4-173.1-51.4-90.1000114.4R173 V175 T219 F224R173-F222 VanDerWaalsContact O-CD1 3.28Å; R173-F222 WeakPolarHBondContact O-CD1 3.49Å; R173-F222 WeakPolarHBondContact O-CE1 3.36Å; V175-F222 HydrophobicContact CG2-CB 3.67Å; V175-F222 HydrophobicContact CG2-CD1 3.59Å; V175-F222 HydrophobicContact CG2-CG 3.96Å; T219-F222 WeakPolarHBondContact O-CA 3.21Å; T219-F222 PolarHBondContact O-N 3.15Å; F222-F224 HydrophobicContact CB-CE2 4.18Å; F222-F224 VanDerWaalsContact O-CD2 3.26Å; F222-F224 WeakPolarHBondContact O-CD2 3.47Å; F222-F224 PolarHBondContact O-N 3.3Å
223E79.2Confident86.6Confident92 Ų9236.4 Ų36.443%0.4318%0.18SC..  trans-85.5104.6173.1-67.4173.7-151.800109.7E218 R221E218-E223 HydrophobicContact CB-CB 4.26Å; E218-E223 HydrophobicContact CG-CB 4.17Å; R221-E223 HydrophobicContact CB-CG 4.22Å; R221-E223 PolarHBondContact O-N 2.82Å
224F79.3Confident87.2Confident35 Ų3532.8 Ų32.815%0.15416%0.163CC..  trans-115.1126.7178.6-62.3-89.8000110.7R173 V175 T219 F222R173-F224 HydrophobicContact CB-CE2 3.75Å; R173-F224 HydrophobicContact CB-CZ 3.92Å; R173-F224 VanDerWaalsContact CD-CD2 3.45Å; R173-F224 VanDerWaalsContact CD-CE2 3.43Å; R173-F224 HydrophobicContact CG-CD1 4.44Å; R173-F224 HydrophobicContact CG-CD2 4.16Å; R173-F224 HydrophobicContact CG-CE1 3.92Å; R173-F224 HydrophobicContact CG-CE2 3.6Å; R173-F224 HydrophobicContact CG-CZ 3.47Å; R173-F224 VanDerWaalsContact CG-CZ 3.47Å; R173-F224 VanDerWaalsContact CZ-CB 3.41Å; R173-F224 VanDerWaalsContact CZ-CD1 3.44Å; R173-F224 VanDerWaalsContact NE-CD1 3.25Å; R173-F224 VanDerWaalsContact NE-CG 3.33Å; R173-F224 VanDerWaalsContact NH1-CB 3.32Å; V175-F224 HydrophobicContact CG2-CE2 4.4Å; T219-F224 HydrophobicContact CG2-CD1 3.69Å; T219-F224 HydrophobicContact CG2-CE1 3.63Å; T219-F224 HydrophobicContact CG2-CG 4.46Å; T219-F224 HydrophobicContact CG2-CZ 4.34Å; F222-F224 HydrophobicContact CB-CE2 4.18Å; F222-F224 VanDerWaalsContact O-CD2 3.26Å; F222-F224 WeakPolarHBondContact O-CD2 3.47Å; F222-F224 PolarHBondContact O-N 3.3Å
225T85Confident87.5Confident64 Ų6432.6 Ų32.639%0.39316%0.162SC..  trans-144.7167.5-176.364.40000110.8K227 S228 D229T225-K227 PolarHBondContact O-N 3.29Å; T225-K227 VanDerWaalsContact O-N 3.11Å; T225-K227 PolarHBondContact OG1-N 3.12Å; T225-S228 PolarHBondContact N-OG 2.95Å; T225-S228 PolarHBondContact O-N 3.33Å; T225-S228 PolarHBondContact O-OG 3.23Å; T225-S228 PolarHBondContact OG1-N 3.16Å; T225-S228 VanDerWaalsContact OG1-N 3.12Å; T225-D229 PolarHBondContact O-N 2.75Å; T225-D229 VanDerWaalsContact O-N 3.15Å
226D87.4Confident87.8Confident55 Ų5532.3 Ų32.329%0.29416%0.16SC..Hα-helixtrans-52.5-34.3168.8-72.96.2000111.7K137 D229 V230 L298K137-D226 WeakPolarHBondContact CE-OD2 3.47Å; K137-D226 IonicContact NZ-OD2 3.61Å; K137-D226 PolarHBondContact NZ-OD2 3.08Å; D226-D229 PolarHBondContact O-N 2.83Å; D226-V230 VanDerWaalsContact O-CG2 3.32Å; D226-V230 WeakPolarHBondContact O-CG2 3.37Å; D226-V230 PolarHBondContact O-N 3.36Å; D226-L298 HydrophobicContact CB-CB 4.05Å; D226-L298 HydrophobicContact CB-CD2 4.36Å
227K92.1Very high88Confident52 Ų5232.3 Ų32.323%0.22616%0.16CC..Hα-helixtrans-69.5-36.1176.9-71.3-161.3178.9-164.60112T225 D229 V230 W231 P292 S293 R295T225-K227 PolarHBondContact O-N 3.29Å; T225-K227 VanDerWaalsContact O-N 3.11Å; T225-K227 PolarHBondContact OG1-N 3.12Å; K227-D229 VanDerWaalsContact C-N 3.29Å; K227-D229 PolarHBondContact O-N 3.32Å; K227-V230 PolarHBondContact O-N 3.11Å; K227-W231 PolarHBondContact O-N 3.49Å; K227-W231 VanDerWaalsContact O-N 3.08Å; K227-P292 WeakPolarHBondContact CD-O 3.49Å; K227-P292 WeakPolarHBondContact CE-O 3.42Å; K227-P292 PolarHBondContact NZ-O 2.84Å; K227-S293 PolarHBondContact NZ-O 2.8Å; K227-R295 HydrophobicContact CD-CB 4.33Å; K227-R295 VanDerWaalsContact CE-O 3.28Å; K227-R295 WeakPolarHBondContact CE-O 3.37Å; K227-R295 PolarHBondContact NZ-O 3.28Å; K227-R295 WeakPolarHBondContact O-CD 3.47Å; K227-R295 PolarHBondContact O-NH1 3.27Å
228S89.6Confident88.2Confident1 Ų131.3 Ų31.31%0.00715%0.153CC..Hα-helixtrans-63.5-3917465.70000111.2E218 T225 W231 T232E218-S228 WeakPolarHBondContact OE1-CB 3.36Å; T225-S228 PolarHBondContact N-OG 2.95Å; T225-S228 PolarHBondContact O-N 3.33Å; T225-S228 PolarHBondContact O-OG 3.23Å; T225-S228 PolarHBondContact OG1-N 3.16Å; T225-S228 VanDerWaalsContact OG1-N 3.12Å; S228-W231 PolarHBondContact O-N 3.23Å; S228-T232 PolarHBondContact O-N 2.79Å; S228-T232 PolarHBondContact O-OG1 3.27Å; S228-T232 VanDerWaalsContact O-OG1 3.09Å
229D89.3Confident88.4Confident7 Ų730.6 Ų30.64%0.03715%0.15CC..Hα-helixtrans-64.9-41.6177.4-61.5-3.8000111.3S143 I144 T225 D226 K227 W231 T232 L233S143-D229 VanDerWaalsContact CA-OD2 3.28Å; S143-D229 WeakPolarHBondContact CA-OD2 3.46Å; S143-D229 WeakPolarHBondContact CB-OD2 3.46Å; S143-D229 VanDerWaalsContact OG-CG 3.3Å; S143-D229 PolarHBondContact OG-OD1 3.44Å; S143-D229 PolarHBondContact OG-OD2 3.33Å; S143-D229 VanDerWaalsContact OG-OD2 3.13Å; I144-D229 PolarHBondContact N-OD2 3.1Å; T225-D229 PolarHBondContact O-N 2.75Å; T225-D229 VanDerWaalsContact O-N 3.15Å; D226-D229 PolarHBondContact O-N 2.83Å; K227-D229 VanDerWaalsContact C-N 3.29Å; K227-D229 PolarHBondContact O-N 3.32Å; D229-W231 VanDerWaalsContact C-N 3.34Å; D229-W231 PolarHBondContact O-N 3.35Å; D229-T232 PolarHBondContact O-N 3.28Å; D229-L233 WeakPolarHBondContact O-CB 3.16Å; D229-L233 PolarHBondContact O-N 2.94Å
230V93.7Very high89Confident2 Ų230.5 Ų30.51%0.01215%0.15CC..Hα-helixtrans-58.8-43.3174.3167.40000111.6D226 K227 L233 G234 M287 I296 L298 L301D226-V230 VanDerWaalsContact O-CG2 3.32Å; D226-V230 WeakPolarHBondContact O-CG2 3.37Å; D226-V230 PolarHBondContact O-N 3.36Å; K227-V230 PolarHBondContact O-N 3.11Å; V230-L233 PolarHBondContact O-N 3.41Å; V230-G234 PolarHBondContact O-N 3.32Å; V230-M287 HydrophobicContact CG1-CB 3.82Å; V230-M287 HydrophobicContact CG1-CE 4.14Å; V230-M287 HydrophobicContact CG1-CG 3.69Å; V230-M287 VanDerWaalsContact O-CE 3.3Å; V230-M287 WeakPolarHBondContact O-CE 3.43Å; V230-I296 HydrophobicContact CG1-CG2 3.89Å; V230-L298 HydrophobicContact CG2-CB 4.05Å; V230-L298 HydrophobicContact CG2-CD1 4.28Å; V230-L301 HydrophobicContact CG1-CD2 4.27Å; V230-L301 HydrophobicContact CG2-CD2 4.2Å
231W94.4Very high89.7Confident0 Ų027.1 Ų27.10%013%0.125CC..Hα-helixtrans-64.2-46.8176.2-171.999.6000111.4W214 C215 A216 P217 K227 S228 D229 L233 G234 C235 K259 M287 M288W214-W231 WeakPolarHBondContact O-CZ3 3.44Å; C215-W231 WeakPolarHBondContact O-CZ3 3.4Å; A216-W231 HydrophobicContact CB-CB 3.79Å; A216-W231 HydrophobicContact CB-CD2 3.94Å; A216-W231 HydrophobicContact CB-CE3 3.92Å; A216-W231 HydrophobicContact CB-CG 3.89Å; P217-W231 HydrophobicContact CG-CZ2 4.24Å; K227-W231 PolarHBondContact O-N 3.49Å; K227-W231 VanDerWaalsContact O-N 3.08Å; S228-W231 PolarHBondContact O-N 3.23Å; D229-W231 VanDerWaalsContact C-N 3.34Å; D229-W231 PolarHBondContact O-N 3.35Å; W231-L233 VanDerWaalsContact C-N 3.26Å; W231-L233 PolarHBondContact O-N 3.24Å; W231-G234 PolarHBondContact O-N 3.26Å; W231-G234 VanDerWaalsContact O-N 3.08Å; W231-C235 HydrophobicContact CE3-CB 3.93Å; W231-C235 HydrophobicContact CH2-CB 4.02Å; W231-C235 HydrophobicContact CZ3-CB 3.59Å; W231-C235 WeakPolarHBondContact O-CB 3.46Å; W231-C235 PolarHBondContact O-N 3.35Å; W231-K259 HydrophobicContact CH2-CD 4.4Å; W231-K259 HydrophobicContact CH2-CG 3.53Å; W231-K259 HydrophobicContact CZ2-CG 3.81Å; W231-M287 WeakPolarHBondContact CA-O 3.05Å; W231-M288 HydrophobicContact CD2-CE 4.07Å; W231-M288 HydrophobicContact CD2-SD 3.97Å; W231-M288 VanDerWaalsContact CE2-CE 3.47Å; W231-M288 HydrophobicContact CG-SD 4.11Å; W231-M288 HydrophobicContact CH2-CE 3.94Å; W231-M288 HydrophobicContact CZ2-CE 3.41Å; W231-M288 VanDerWaalsContact CZ2-CE 3.41Å; W231-M288 HydrophobicContact CZ2-SD 4.4Å; W231-M288 HydrophobicContact CZ3-CE 4.48Å; W231-M288 PolarHBondContact NE1-O 3.38Å
232T92.9Very high90.4Very high4 Ų418.9 Ų18.93%0.0259%0.094CC..Hα-helixtrans-61.6-37.4180-57.50000111.2F146 W214 C215 A216 S228 D229 C235 V236F146-T232 HydrophobicContact CB-CG2 4.25Å; F146-T232 HydrophobicContact CD1-CG2 3.37Å; F146-T232 HydrophobicContact CE1-CG2 4.12Å; F146-T232 HydrophobicContact CG-CG2 4.26Å; F146-T232 VanDerWaalsContact O-CG2 3.26Å; F146-T232 WeakPolarHBondContact O-CG2 3.37Å; W214-T232 VanDerWaalsContact O-CG2 3.3Å; W214-T232 WeakPolarHBondContact O-CG2 3.49Å; C215-T232 WeakPolarHBondContact CA-OG1 3.37Å; A216-T232 PolarHBondContact N-OG1 3.29Å; S228-T232 PolarHBondContact O-N 2.79Å; S228-T232 PolarHBondContact O-OG1 3.27Å; S228-T232 VanDerWaalsContact O-OG1 3.09Å; D229-T232 PolarHBondContact O-N 3.28Å; T232-C235 WeakPolarHBondContact O-CB 2.96Å; T232-C235 PolarHBondContact O-N 3.3Å; T232-V236 WeakPolarHBondContact O-CG2 3.5Å; T232-V236 PolarHBondContact O-N 3.44Å
233L94.6Very high91.4Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-61.2-48.5170.8-178.354.7000112.4M125 F126 V129 L130 I133 F146 D229 V230 W231 C235 V236 I237 M287M125-L233 HydrophobicContact CE-CD1 4.48Å; M125-L233 HydrophobicContact SD-CD1 4.17Å; F126-L233 HydrophobicContact CD2-CD1 4.33Å; F126-L233 HydrophobicContact CD2-CD2 3.85Å; F126-L233 HydrophobicContact CD2-CG 4.18Å; F126-L233 HydrophobicContact CE2-CD2 3.79Å; F126-L233 HydrophobicContact CE2-CG 4.3Å; V129-L233 HydrophobicContact CB-CD1 4.03Å; V129-L233 HydrophobicContact CG1-CD1 3.74Å; V129-L233 HydrophobicContact CG1-CD2 4.01Å; V129-L233 HydrophobicContact CG1-CG 4.43Å; V129-L233 HydrophobicContact CG2-CD1 4.34Å; L130-L233 HydrophobicContact CD2-CD2 3.67Å; L130-L233 HydrophobicContact CG-CD2 4.02Å; I133-L233 HydrophobicContact CD1-CD2 4.42Å; F146-L233 HydrophobicContact CE1-CB 4.17Å; F146-L233 HydrophobicContact CE1-CD1 4.18Å; F146-L233 HydrophobicContact CZ-CD1 3.86Å; D229-L233 WeakPolarHBondContact O-CB 3.16Å; D229-L233 PolarHBondContact O-N 2.94Å; V230-L233 PolarHBondContact O-N 3.41Å; W231-L233 VanDerWaalsContact C-N 3.26Å; W231-L233 PolarHBondContact O-N 3.24Å; L233-C235 PolarHBondContact O-N 3.29Å; L233-V236 PolarHBondContact O-N 3.11Å; L233-I237 HydrophobicContact CD1-CD1 3.93Å; L233-I237 HydrophobicContact CD1-CG1 4.22Å; L233-I237 HydrophobicContact CG-CD1 3.91Å; L233-I237 WeakPolarHBondContact O-CD1 3.5Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.45Å; L233-I237 PolarHBondContact O-N 3.42Å; L233-M287 HydrophobicContact CB-CE 3.92Å; L233-M287 HydrophobicContact CD2-CE 3.94Å; L233-M287 HydrophobicContact CG-CE 3.77Å
234G95Very high92Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-58.2-39.1175.600000112.3V230 W231 I237 T238V230-G234 PolarHBondContact O-N 3.32Å; W231-G234 PolarHBondContact O-N 3.26Å; W231-G234 VanDerWaalsContact O-N 3.08Å; G234-I237 PolarHBondContact O-N 2.96Å; G234-T238 VanDerWaalsContact O-CB 3.31Å; G234-T238 WeakPolarHBondContact O-CB 3.48Å; G234-T238 PolarHBondContact O-N 3.07Å; G234-T238 PolarHBondContact O-OG1 3.09Å
235C94.3Very high92.5Very high0 Ų018.1 Ų18.10%010%0.096CC..Hα-helixtrans-66.2-49.2-179.6-176.80000110.5W231 T232 L233 I237 T238 I239 M288W231-C235 HydrophobicContact CE3-CB 3.93Å; W231-C235 HydrophobicContact CH2-CB 4.02Å; W231-C235 HydrophobicContact CZ3-CB 3.59Å; W231-C235 WeakPolarHBondContact O-CB 3.46Å; W231-C235 PolarHBondContact O-N 3.35Å; T232-C235 WeakPolarHBondContact O-CB 2.96Å; T232-C235 PolarHBondContact O-N 3.3Å; L233-C235 PolarHBondContact O-N 3.29Å; C235-I237 PolarHBondContact O-N 2.66Å; C235-T238 PolarHBondContact O-N 3.21Å; C235-I239 WeakPolarHBondContact O-CG1 2.97Å; C235-I239 PolarHBondContact O-N 3.03Å; C235-M288 VanDerWaalsContact CA-SD 3.56Å; C235-M288 HydrophobicContact CB-CE 3.73Å; C235-M288 HydrophobicContact CB-SD 3.85Å; C235-M288 PolarHBondContact N-SD 3.37Å
236V94.4Very high92.7Very high0 Ų015.6 Ų15.60%08%0.08CC..Hα-helixtrans-59.7-47.3177.7171.30000110.6L104 M125 F146 P148 W214 T232 L233 T238 I239 L240L104-V236 HydrophobicContact CD2-CG1 3.39Å; M125-V236 HydrophobicContact CE-CG1 4.07Å; M125-V236 HydrophobicContact SD-CG1 4.43Å; F146-V236 HydrophobicContact CE1-CB 4.12Å; F146-V236 HydrophobicContact CE1-CG2 3.74Å; F146-V236 HydrophobicContact CZ-CB 4.49Å; F146-V236 HydrophobicContact CZ-CG2 4.36Å; P148-V236 HydrophobicContact CG-CG2 4.17Å; W214-V236 HydrophobicContact CE3-CG2 3.96Å; W214-V236 HydrophobicContact CZ3-CG2 4.28Å; T232-V236 WeakPolarHBondContact O-CG2 3.5Å; T232-V236 PolarHBondContact O-N 3.44Å; L233-V236 PolarHBondContact O-N 3.11Å; V236-T238 VanDerWaalsContact C-N 3.33Å; V236-T238 PolarHBondContact O-N 3.13Å; V236-I239 PolarHBondContact O-N 3.18Å; V236-L240 HydrophobicContact CG1-CD1 4.44Å; V236-L240 WeakPolarHBondContact O-CG 2.93Å; V236-L240 PolarHBondContact O-N 3.42Å
237I95.2Very high92.8Very high0 Ų020.1 Ų20.10%010%0.097CC..Hα-helixtrans-58.2-47.2177.1-64.7162.7000110.8I122 M125 F126 L233 G234 C235 I239 L240 I241 L280 L284I122-I237 HydrophobicContact CG2-CG2 3.96Å; M125-I237 HydrophobicContact CE-CB 4.35Å; M125-I237 HydrophobicContact CE-CD1 4.46Å; M125-I237 HydrophobicContact CE-CG1 3.38Å; F126-I237 HydrophobicContact CB-CD1 3.93Å; F126-I237 HydrophobicContact CB-CG1 4.42Å; F126-I237 HydrophobicContact CD1-CD1 3.99Å; F126-I237 HydrophobicContact CD2-CD1 3.51Å; F126-I237 HydrophobicContact CE1-CD1 4.39Å; F126-I237 HydrophobicContact CE2-CD1 3.94Å; F126-I237 HydrophobicContact CG-CD1 3.55Å; F126-I237 HydrophobicContact CZ-CD1 4.37Å; L233-I237 HydrophobicContact CD1-CD1 3.93Å; L233-I237 HydrophobicContact CD1-CG1 4.22Å; L233-I237 HydrophobicContact CG-CD1 3.91Å; L233-I237 WeakPolarHBondContact O-CD1 3.5Å; L233-I237 VanDerWaalsContact O-CG1 3.25Å; L233-I237 WeakPolarHBondContact O-CG1 3.45Å; L233-I237 PolarHBondContact O-N 3.42Å; G234-I237 PolarHBondContact O-N 2.96Å; C235-I237 PolarHBondContact O-N 2.66Å; I237-I239 VanDerWaalsContact C-N 3.33Å; I237-I239 PolarHBondContact O-N 3.18Å; I237-L240 PolarHBondContact O-N 3.35Å; I237-L240 VanDerWaalsContact O-N 3.11Å; I237-I241 HydrophobicContact CG2-CD1 3.94Å; I237-I241 HydrophobicContact CG2-CG1 4.43Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 2.92Å; I237-L280 HydrophobicContact CG2-CD1 4.4Å; I237-L284 HydrophobicContact CB-CD2 3.83Å; I237-L284 HydrophobicContact CD1-CD2 4.15Å; I237-L284 HydrophobicContact CG2-CD1 4.02Å; I237-L284 HydrophobicContact CG2-CD2 3.76Å; I237-L284 HydrophobicContact CG2-CG 4.43Å
238T94.5Very high92.5Very high12 Ų1223.9 Ų23.97%0.07411%0.114CC..Hα-helixtrans-59-44.6179.8-59.40000111.2G234 C235 V236 L240 I241 Y242 L258 F265G234-T238 VanDerWaalsContact O-CB 3.31Å; G234-T238 WeakPolarHBondContact O-CB 3.48Å; G234-T238 PolarHBondContact O-N 3.07Å; G234-T238 PolarHBondContact O-OG1 3.09Å; C235-T238 PolarHBondContact O-N 3.21Å; V236-T238 VanDerWaalsContact C-N 3.33Å; V236-T238 PolarHBondContact O-N 3.13Å; T238-L240 VanDerWaalsContact C-N 3.33Å; T238-L240 PolarHBondContact O-N 3.24Å; T238-I241 PolarHBondContact O-N 3.4Å; T238-Y242 HydrophobicContact CG2-CD2 3.78Å; T238-Y242 HydrophobicContact CG2-CE2 3.9Å; T238-Y242 WeakPolarHBondContact O-CD2 3.44Å; T238-Y242 PolarHBondContact O-N 2.85Å; T238-Y242 VanDerWaalsContact O-N 3.11Å; T238-L258 HydrophobicContact CG2-CD1 3.96Å; T238-L258 HydrophobicContact CG2-CD2 3.9Å; T238-F265 HydrophobicContact CG2-CD2 4.06Å
239I93.9Very high92.2Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-61.5-39.9175.9-69.2-65.7000111.8I108 W214 C235 V236 I237 Y242 I243 L246 A254 V255 L258 F265I108-I239 HydrophobicContact CD1-CG2 4.28Å; I108-I239 HydrophobicContact CG1-CG2 4.49Å; I108-I239 HydrophobicContact CG2-CG2 4.48Å; W214-I239 HydrophobicContact CH2-CG1 4.36Å; W214-I239 HydrophobicContact CH2-CG2 4.04Å; W214-I239 HydrophobicContact CZ3-CB 4.26Å; W214-I239 HydrophobicContact CZ3-CG1 3.95Å; W214-I239 HydrophobicContact CZ3-CG2 4.24Å; C235-I239 WeakPolarHBondContact O-CG1 2.97Å; C235-I239 PolarHBondContact O-N 3.03Å; V236-I239 PolarHBondContact O-N 3.18Å; I237-I239 VanDerWaalsContact C-N 3.33Å; I237-I239 PolarHBondContact O-N 3.18Å; I239-Y242 PolarHBondContact O-N 3.43Å; I239-I243 WeakPolarHBondContact O-CA 3.48Å; I239-I243 WeakPolarHBondContact O-CB 3.41Å; I239-I243 PolarHBondContact O-N 3.32Å; I239-L246 HydrophobicContact CD1-CD1 3.9Å; I239-L246 HydrophobicContact CG2-CD1 3.91Å; I239-A254 HydrophobicContact CD1-CB 3.67Å; I239-V255 HydrophobicContact CD1-CG2 4.2Å; I239-V255 HydrophobicContact CG1-CG2 4.21Å; I239-L258 HydrophobicContact CD1-CD1 4.09Å; I239-L258 HydrophobicContact CG1-CD1 4.24Å; I239-F265 HydrophobicContact CD1-CE2 4.5Å
240L94.3Very high92.2Very high2 Ų234.4 Ų34.41%0.0116%0.164CC..Hα-helixtrans-67-36.6177.5-63.9179.8000113.1L104 I108 L117 I122 M125 V236 I237 T238 I243L104-L240 HydrophobicContact CD1-CD1 3.96Å; L104-L240 HydrophobicContact CD1-CD2 3.66Å; L104-L240 HydrophobicContact CD1-CG 4.42Å; L104-L240 HydrophobicContact CD2-CD1 4.19Å; L104-L240 HydrophobicContact CD2-CD2 4.36Å; L104-L240 HydrophobicContact CG-CD2 4.11Å; I108-L240 HydrophobicContact CD1-CD2 4.18Å; I108-L240 HydrophobicContact CG1-CD2 3.73Å; L117-L240 HydrophobicContact CD1-CB 4.08Å; L117-L240 HydrophobicContact CD1-CD2 3.63Å; L117-L240 HydrophobicContact CD1-CG 4.28Å; I122-L240 HydrophobicContact CG1-CB 4.33Å; M125-L240 HydrophobicContact CE-CD1 3.67Å; M125-L240 HydrophobicContact CG-CD1 4.46Å; V236-L240 HydrophobicContact CG1-CD1 4.44Å; V236-L240 WeakPolarHBondContact O-CG 2.93Å; V236-L240 PolarHBondContact O-N 3.42Å; I237-L240 PolarHBondContact O-N 3.35Å; I237-L240 VanDerWaalsContact O-N 3.11Å; T238-L240 VanDerWaalsContact C-N 3.33Å; T238-L240 PolarHBondContact O-N 3.24Å; L240-I243 VanDerWaalsContact O-CG2 3.25Å; L240-I243 WeakPolarHBondContact O-CG2 3.34Å
241I94.2Very high91.9Very high9 Ų935.3 Ų35.35%0.04617%0.169CC..Hα-helixtrans-62.3-47.8175.1-68.2168.9000110W119 I122 I237 T238 L280 F281 L284W119-I241 HydrophobicContact CH2-CD1 4.35Å; W119-I241 HydrophobicContact CH2-CG1 4.06Å; W119-I241 HydrophobicContact CH2-CG2 4.03Å; W119-I241 HydrophobicContact CZ3-CD1 4.14Å; W119-I241 HydrophobicContact CZ3-CG1 3.91Å; I122-I241 HydrophobicContact CD1-CG1 4.03Å; I237-I241 HydrophobicContact CG2-CD1 3.94Å; I237-I241 HydrophobicContact CG2-CG1 4.43Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 2.92Å; T238-I241 PolarHBondContact O-N 3.4Å; I241-L280 HydrophobicContact CD1-CD2 4.03Å; I241-F281 HydrophobicContact CD1-CE1 4.27Å; I241-F281 HydrophobicContact CD1-CZ 4.49Å; I241-F281 HydrophobicContact CG2-CE1 4.44Å; I241-F281 HydrophobicContact CG2-CZ 4.24Å; I241-L284 HydrophobicContact CD1-CD1 3.61Å
242Y93Very high91.6Very high7 Ų738 Ų383%0.02718%0.182CC..Hα-helixtrans-92.26.9-173.2-64.5-65.6000114.7T238 I239 K244 C245 L246 F265 L268 S269 F281T238-Y242 HydrophobicContact CG2-CD2 3.78Å; T238-Y242 HydrophobicContact CG2-CE2 3.9Å; T238-Y242 WeakPolarHBondContact O-CD2 3.44Å; T238-Y242 PolarHBondContact O-N 2.85Å; T238-Y242 VanDerWaalsContact O-N 3.11Å; I239-Y242 PolarHBondContact O-N 3.43Å; Y242-K244 VanDerWaalsContact C-N 3.26Å; Y242-K244 PolarHBondContact O-N 3.01Å; Y242-K244 VanDerWaalsContact O-N 3.07Å; Y242-C245 WeakPolarHBondContact O-CA 3.39Å; Y242-C245 WeakPolarHBondContact O-CB 3.23Å; Y242-C245 PolarHBondContact O-N 3.05Å; Y242-L246 WeakPolarHBondContact O-CG 3.29Å; Y242-L246 PolarHBondContact O-N 2.84Å; Y242-F265 HydrophobicContact CD1-CB 4.01Å; Y242-F265 HydrophobicContact CD2-CB 3.34Å; Y242-F265 AromaticContact CD2-CD2 3.88Å; Y242-F265 HydrophobicContact CD2-CD2 3.88Å; Y242-F265 AromaticContact CD2-CG 3.96Å; Y242-F265 HydrophobicContact CD2-CG 3.96Å; Y242-F265 HydrophobicContact CE1-CB 4.02Å; Y242-F265 VanDerWaalsContact CE1-O 3.25Å; Y242-F265 WeakPolarHBondContact CE1-O 3.1Å; Y242-F265 HydrophobicContact CE2-CB 3.36Å; Y242-F265 HydrophobicContact CE2-CG 4.4Å; Y242-F265 HydrophobicContact CG-CB 3.69Å; Y242-F265 HydrophobicContact CG-CD2 4.37Å; Y242-F265 HydrophobicContact CG-CG 4.21Å; Y242-F265 VanDerWaalsContact CZ-O 3.25Å; Y242-F265 PolarHBondContact OH-O 3.41Å; Y242-L268 HydrophobicContact CD1-CB 3.9Å; Y242-L268 HydrophobicContact CD1-CD1 4.19Å; Y242-L268 HydrophobicContact CE1-CB 3.8Å; Y242-S269 VanDerWaalsContact CE1-OG 3.24Å; Y242-S269 WeakPolarHBondContact CE1-OG 3.49Å; Y242-S269 PolarHBondContact OH-OG 3.04Å; Y242-F281 WeakPolarHBondContact OH-CE1 3.47Å
243I92.2Very high91.5Very high0 Ų041.9 Ų41.90%020%0.203CC..G310 helixtrans-50.6-40.6-171.3-167.5167.9000114.2I108 N111 I112 S115 L117 I239 L240 C245 L246I108-I243 HydrophobicContact CB-CD1 4.39Å; I108-I243 HydrophobicContact CG1-CD1 4.36Å; N111-I243 HydrophobicContact CB-CD1 3.51Å; N111-I243 HydrophobicContact CB-CG1 4.14Å; I112-I243 WeakPolarHBondContact CA-O 3.41Å; I112-I243 HydrophobicContact CG1-CG1 3.98Å; S115-I243 WeakPolarHBondContact O-CG2 3.27Å; L117-I243 HydrophobicContact CD1-CD1 4.37Å; L117-I243 HydrophobicContact CG-CG2 4.32Å; I239-I243 WeakPolarHBondContact O-CA 3.48Å; I239-I243 WeakPolarHBondContact O-CB 3.41Å; I239-I243 PolarHBondContact O-N 3.32Å; L240-I243 VanDerWaalsContact O-CG2 3.25Å; L240-I243 WeakPolarHBondContact O-CG2 3.34Å; I243-C245 PolarHBondContact O-N 3.37Å; I243-L246 PolarHBondContact O-N 3.36Å
244K91.7Very high91.3Very high108 Ų10842.1 Ų42.147%0.4720%0.204SC..G310 helixtrans-64-28.2177.3-178.2-179.2174.1-175.20113R116 Y242R116-K244 HydrophobicContact CG-CB 3.9Å; R116-K244 HydrophobicContact CG-CD 3.84Å; Y242-K244 VanDerWaalsContact C-N 3.26Å; Y242-K244 PolarHBondContact O-N 3.01Å; Y242-K244 VanDerWaalsContact O-N 3.07Å
245C90.4Very high91.1Very high58 Ų5842.1 Ų42.139%0.39220%0.204SC..G310 helixtrans-93.1-7-177.4-59.30000113.2Y242 I243 L268Y242-C245 WeakPolarHBondContact O-CA 3.39Å; Y242-C245 WeakPolarHBondContact O-CB 3.23Å; Y242-C245 PolarHBondContact O-N 3.05Å; I243-C245 PolarHBondContact O-N 3.37Å; C245-L268 HydrophobicContact CB-CD1 4Å
246L90.3Very high91Very high10 Ų1045.5 Ų45.55%0.05222%0.222CC..SBendtrans-80.7156.9176.6-56.7-174.7000110.6I112 E113 I239 Y242 I243 A254 F265I112-L246 HydrophobicContact CG1-CB 4.39Å; E113-L246 WeakPolarHBondContact CG-O 3.5Å; I239-L246 HydrophobicContact CD1-CD1 3.9Å; I239-L246 HydrophobicContact CG2-CD1 3.91Å; Y242-L246 WeakPolarHBondContact O-CG 3.29Å; Y242-L246 PolarHBondContact O-N 2.84Å; I243-L246 PolarHBondContact O-N 3.36Å; L246-A254 HydrophobicContact CD1-CB 4.16Å; L246-A254 HydrophobicContact CD2-CB 3.71Å; L246-F265 HydrophobicContact CD2-CZ 4.32Å
247F88Confident90.9Very high150 Ų15050 Ų5066%0.65824%0.244SC*.PPolyproline II helixtrans-89.4146.8175-65.7-74.2000111.9I112 E113 N249 K250I112-F247 VanDerWaalsContact CG2-C 3.46Å; E113-F247 WeakPolarHBondContact OE1-CA 3.34Å; F247-N249 PolarHBondContact O-N 3.28Å; F247-K250 HydrophobicContact CB-CB 3.86Å; F247-K250 HydrophobicContact CB-CG 3.77Å; F247-K250 WeakPolarHBondContact O-CB 3.41Å; F247-K250 PolarHBondContact O-N 2.91Å
248K86.4Confident90.6Very high132 Ų13250.2 Ų50.257%0.57425%0.245SC*.THydrogen-bonded Turntrans-58.3131.8-179.9-168.6174.5-176.1177.60111.9I112 E113 K250I112-K248 HydrophobicContact CG2-CB 4.26Å; E113-K248 PolarHBondContact OE1-N 3.1Å; K248-K250 WeakPolarHBondContact O-CG 3.44Å; K248-K250 PolarHBondContact O-N 3.04Å
249N83.2Confident90.5Very high123 Ų12351.7 Ų51.766%0.65825%0.25SS*.THydrogen-bonded Turntrans59.523.9-176.6-50.3-35.5000113.8F247 E251F247-N249 PolarHBondContact O-N 3.28Å; N249-E251 WeakPolarHBondContact CA-OE2 3.39Å
250K88.5Confident90.3Very high105 Ų10555.7 Ų55.746%0.45728%0.283SS..  trans-121.416.5-179.3-58.3-81.7166.5-178.80111.8F247 K248 I252 L253 A254F247-K250 HydrophobicContact CB-CB 3.86Å; F247-K250 HydrophobicContact CB-CG 3.77Å; F247-K250 WeakPolarHBondContact O-CB 3.41Å; F247-K250 PolarHBondContact O-N 2.91Å; K248-K250 WeakPolarHBondContact O-CG 3.44Å; K248-K250 PolarHBondContact O-N 3.04Å; K250-I252 VanDerWaalsContact C-N 3.27Å; K250-I252 PolarHBondContact O-N 3.15Å; K250-L253 HydrophobicContact CB-CB 4.49Å; K250-L253 HydrophobicContact CB-CD1 4.38Å; K250-L253 HydrophobicContact CD-CD1 3.3Å; K250-L253 HydrophobicContact CD-CG 4.15Å; K250-L253 HydrophobicContact CG-CD1 4.42Å; K250-L253 WeakPolarHBondContact O-CB 3.15Å; K250-L253 PolarHBondContact O-N 2.7Å; K250-L253 VanDerWaalsContact O-N 3.09Å; K250-A254 PolarHBondContact O-N 2.74Å
251E87.8Confident90Very high21 Ų2162.5 Ų62.510%0.09831%0.313CS..Hα-helixtrans-57.2-40.1176.661.1-82.5-164.300112.1I108 I112 W214 N249 L253 A254 V255I108-E251 HydrophobicContact CG2-CB 4.28Å; I112-E251 HydrophobicContact CD1-CB 4.12Å; W214-E251 HydrophobicContact CZ2-CB 4.5Å; W214-E251 HydrophobicContact CZ2-CG 4.26Å; N249-E251 WeakPolarHBondContact CA-OE2 3.39Å; E251-L253 VanDerWaalsContact C-N 3.35Å; E251-L253 PolarHBondContact O-N 3.45Å; E251-A254 WeakPolarHBondContact O-CB 3.4Å; E251-A254 PolarHBondContact O-N 2.72Å; E251-A254 VanDerWaalsContact O-N 3.16Å; E251-V255 WeakPolarHBondContact O-CG2 3.37Å; E251-V255 PolarHBondContact O-N 3.36Å
252I89.4Confident89.5Confident56 Ų5664.5 Ų64.529%0.28732%0.322SS..Hα-helixtrans-65.4-38.9176.7-59.6-53.5000111.3E213 W214 K250 A254 V255 D256E213-I252 HydrophobicContact CB-CD1 3.99Å; E213-I252 HydrophobicContact CB-CG2 4Å; E213-I252 HydrophobicContact CG-CG2 3.97Å; W214-I252 HydrophobicContact CZ2-CD1 4.38Å; K250-I252 VanDerWaalsContact C-N 3.27Å; K250-I252 PolarHBondContact O-N 3.15Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 3.46Å; I252-V255 WeakPolarHBondContact O-CB 3.33Å; I252-V255 PolarHBondContact O-N 3.24Å; I252-V255 VanDerWaalsContact O-N 3.16Å; I252-D256 PolarHBondContact O-N 2.94Å
253L90.2Very high88.9Confident87 Ų8766.9 Ų66.946%0.45534%0.335SS..Hα-helixtrans-65.2-34.9174.5-64.6-174.6000111.9K250 E251 V255 D256 Q257K250-L253 HydrophobicContact CB-CB 4.49Å; K250-L253 HydrophobicContact CB-CD1 4.38Å; K250-L253 HydrophobicContact CD-CD1 3.3Å; K250-L253 HydrophobicContact CD-CG 4.15Å; K250-L253 HydrophobicContact CG-CD1 4.42Å; K250-L253 WeakPolarHBondContact O-CB 3.15Å; K250-L253 PolarHBondContact O-N 2.7Å; K250-L253 VanDerWaalsContact O-N 3.09Å; E251-L253 VanDerWaalsContact C-N 3.35Å; E251-L253 PolarHBondContact O-N 3.45Å; L253-V255 VanDerWaalsContact C-N 3.31Å; L253-D256 PolarHBondContact O-N 2.9Å; L253-Q257 VanDerWaalsContact O-CG 3.3Å; L253-Q257 WeakPolarHBondContact O-CG 3.45Å; L253-Q257 PolarHBondContact O-N 2.75Å
254A90.5Very high88.5Confident4 Ų468.3 Ų68.33%0.03334%0.344CS..Hα-helixtrans-65.2-38.2174.600000111.2I239 L246 K250 E251 I252 Q257 L258 F265I239-A254 HydrophobicContact CD1-CB 3.67Å; L246-A254 HydrophobicContact CD1-CB 4.16Å; L246-A254 HydrophobicContact CD2-CB 3.71Å; K250-A254 PolarHBondContact O-N 2.74Å; E251-A254 WeakPolarHBondContact O-CB 3.4Å; E251-A254 PolarHBondContact O-N 2.72Å; E251-A254 VanDerWaalsContact O-N 3.16Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 3.46Å; A254-Q257 WeakPolarHBondContact O-CB 3.45Å; A254-Q257 PolarHBondContact O-N 3Å; A254-L258 WeakPolarHBondContact O-CG 3.37Å; A254-L258 PolarHBondContact O-N 2.71Å; A254-L258 VanDerWaalsContact O-N 3.09Å; A254-F265 HydrophobicContact CB-CE2 4.27Å; A254-F265 HydrophobicContact CB-CZ 3.89Å
255V91.3Very high88.2Confident0 Ų063.7 Ų63.70%032%0.323CS..Hα-helixtrans-65.6-42.8172.6179.60000111.4E213 W214 I239 E251 I252 L253 Q257 L258 K259E213-V255 WeakPolarHBondContact O-CG1 3.31Å; W214-V255 HydrophobicContact CD2-CG2 4.2Å; W214-V255 HydrophobicContact CE3-CG2 3.86Å; W214-V255 HydrophobicContact CH2-CG2 4.07Å; W214-V255 HydrophobicContact CZ2-CG2 4.39Å; W214-V255 HydrophobicContact CZ3-CG2 3.8Å; I239-V255 HydrophobicContact CD1-CG2 4.2Å; I239-V255 HydrophobicContact CG1-CG2 4.21Å; E251-V255 WeakPolarHBondContact O-CG2 3.37Å; E251-V255 PolarHBondContact O-N 3.36Å; I252-V255 WeakPolarHBondContact O-CB 3.33Å; I252-V255 PolarHBondContact O-N 3.24Å; I252-V255 VanDerWaalsContact O-N 3.16Å; L253-V255 VanDerWaalsContact C-N 3.31Å; V255-Q257 VanDerWaalsContact C-N 3.27Å; V255-Q257 PolarHBondContact O-N 3.49Å; V255-L258 WeakPolarHBondContact O-CB 3.41Å; V255-L258 PolarHBondContact O-N 3.45Å; V255-L258 VanDerWaalsContact O-N 3.11Å; V255-K259 WeakPolarHBondContact O-CG 3.38Å; V255-K259 PolarHBondContact O-N 3.21Å
256D91.3Very high87.7Confident71 Ų7163.2 Ų63.238%0.3832%0.316SS..Hα-helixtrans-61.3-36.5175.7-69-29.1000112I252 L253 K259 A260I252-D256 PolarHBondContact O-N 2.94Å; L253-D256 PolarHBondContact O-N 2.9Å; D256-K259 PolarHBondContact O-N 3.04Å; D256-A260 WeakPolarHBondContact O-CB 3.4Å; D256-A260 PolarHBondContact O-N 2.89Å
257Q91.6Very high87.3Confident95 Ų9569.8 Ų69.844%0.44435%0.346SS..Hα-helixtrans-63.2-43.9172.8-74.31731.100111.9L253 A254 V255 K259 A260 K261 V264 F265L253-Q257 VanDerWaalsContact O-CG 3.3Å; L253-Q257 WeakPolarHBondContact O-CG 3.45Å; L253-Q257 PolarHBondContact O-N 2.75Å; A254-Q257 WeakPolarHBondContact O-CB 3.45Å; A254-Q257 PolarHBondContact O-N 3Å; V255-Q257 VanDerWaalsContact C-N 3.27Å; V255-Q257 PolarHBondContact O-N 3.49Å; Q257-K259 VanDerWaalsContact C-N 3.29Å; Q257-K259 PolarHBondContact O-N 2.87Å; Q257-A260 PolarHBondContact O-N 3.28Å; Q257-K261 PolarHBondContact O-N 3.14Å; Q257-V264 HydrophobicContact CB-CG1 4.46Å; Q257-F265 HydrophobicContact CB-CZ 4.34Å; Q257-F265 VanDerWaalsContact OE1-CE1 3.27Å
258L90.6Very high87.1Confident4 Ų465.6 Ų65.62%0.02133%0.33CS..Hα-helixtrans-63.7-34.6175.5-70.1172.3000112.4T238 I239 A254 V255 F265 M288T238-L258 HydrophobicContact CG2-CD1 3.96Å; T238-L258 HydrophobicContact CG2-CD2 3.9Å; I239-L258 HydrophobicContact CD1-CD1 4.09Å; I239-L258 HydrophobicContact CG1-CD1 4.24Å; A254-L258 WeakPolarHBondContact O-CG 3.37Å; A254-L258 PolarHBondContact O-N 2.71Å; A254-L258 VanDerWaalsContact O-N 3.09Å; V255-L258 WeakPolarHBondContact O-CB 3.41Å; V255-L258 PolarHBondContact O-N 3.45Å; V255-L258 VanDerWaalsContact O-N 3.11Å; L258-F265 HydrophobicContact CD1-CD2 4.44Å; L258-F265 HydrophobicContact CD1-CE2 3.97Å; L258-F265 HydrophobicContact CD2-CD2 3.76Å; L258-F265 HydrophobicContact CD2-CE2 3.77Å; L258-F265 HydrophobicContact CG-CD2 4.18Å; L258-F265 HydrophobicContact CG-CE2 3.68Å; L258-M288 HydrophobicContact CB-CE 4.02Å; L258-M288 HydrophobicContact CD1-CE 4.3Å
259K90.6Very high87.1Confident44 Ų4460 Ų6019%0.19131%0.307CS..Hα-helixtrans-68.5-40.1172.9-71.1179.2169.2179.40112.1I212 E213 C215 P217 W231 V255 D256 Q257 N290I212-K259 PolarHBondContact O-NZ 3.47Å; E213-K259 VanDerWaalsContact O-CE 3.24Å; E213-K259 WeakPolarHBondContact O-CE 3.44Å; E213-K259 PolarHBondContact O-NZ 3.33Å; C215-K259 WeakPolarHBondContact O-CE 3.48Å; C215-K259 PolarHBondContact O-NZ 3.25Å; P217-K259 HydrophobicContact CG-CG 4.27Å; W231-K259 HydrophobicContact CH2-CD 4.4Å; W231-K259 HydrophobicContact CH2-CG 3.53Å; W231-K259 HydrophobicContact CZ2-CG 3.81Å; V255-K259 WeakPolarHBondContact O-CG 3.38Å; V255-K259 PolarHBondContact O-N 3.21Å; D256-K259 PolarHBondContact O-N 3.04Å; Q257-K259 VanDerWaalsContact C-N 3.29Å; Q257-K259 PolarHBondContact O-N 2.87Å; K259-N290 PolarHBondContact O-ND2 3.4Å
260A90Very high87.2Confident84 Ų8457 Ų5769%0.69430%0.296SS*.Hα-helixtrans-71.5-36.5-178.100000112.6D256 Q257D256-A260 WeakPolarHBondContact O-CB 3.4Å; D256-A260 PolarHBondContact O-N 2.89Å; Q257-A260 PolarHBondContact O-N 3.28Å
261K88.3Confident87.1Confident144 Ų14456 Ų5663%0.62631%0.307SS*.SBendtrans-146.1132.2-177.7176.9178.3178.8-176.50110.8Q257 V264Q257-K261 PolarHBondContact O-N 3.14Å; K261-V264 HydrophobicContact CB-CG2 3.43Å; K261-V264 VanDerWaalsContact CB-CG2 3.43Å; K261-V264 HydrophobicContact CD-CG2 3.92Å; K261-V264 HydrophobicContact CG-CG2 3.64Å; K261-V264 WeakPolarHBondContact O-CG2 3.48Å
262E85.2Confident87.2Confident52 Ų5262.3 Ų62.324%0.24334%0.337CS..THydrogen-bonded Turntrans-63.4144174.3-57.9-177.5173.800110.2V264 K289 N290E262-V264 PolarHBondContact O-N 2.63Å; E262-V264 VanDerWaalsContact O-N 3.1Å; E262-K289 WeakPolarHBondContact OE1-CA 3.3Å; E262-K289 WeakPolarHBondContact OE1-CD 3.23Å; E262-K289 VanDerWaalsContact OE2-CD 3.26Å; E262-K289 WeakPolarHBondContact OE2-CD 3.48Å; E262-K289 IonicContact OE2-NZ 2.78Å; E262-K289 PolarHBondContact OE2-NZ 2.96Å; E262-N290 PolarHBondContact OE1-N 2.89Å
263N80.3Confident87.1Confident56 Ų5660.4 Ų60.430%0.29933%0.326SS..THydrogen-bonded Turntrans58.426.3169-68.4-6.5000115.7F265 H266 S285N263-F265 PolarHBondContact O-N 3.06Å; N263-F265 VanDerWaalsContact O-N 3.09Å; N263-H266 WeakPolarHBondContact CB-CD2 3.48Å; N263-H266 VanDerWaalsContact CG-CD2 3.5Å; N263-H266 PolarHBondContact O-CD2 2.77Å; N263-H266 PolarHBondContact O-N 2.93Å; N263-H266 PolarHBondContact OD1-NE2 3.5Å; N263-S285 PolarHBondContact ND2-OG 2.92Å
264V84Confident87Confident30 Ų3058.8 Ų58.818%0.18232%0.318CS..THydrogen-bonded Turntrans-52.8-36.6-175.9169.50000113.2Q257 K261 E262 H267Q257-V264 HydrophobicContact CB-CG1 4.46Å; K261-V264 HydrophobicContact CB-CG2 3.43Å; K261-V264 VanDerWaalsContact CB-CG2 3.43Å; K261-V264 HydrophobicContact CD-CG2 3.92Å; K261-V264 HydrophobicContact CG-CG2 3.64Å; K261-V264 WeakPolarHBondContact O-CG2 3.48Å; E262-V264 PolarHBondContact O-N 2.63Å; E262-V264 VanDerWaalsContact O-N 3.1Å; V264-H267 PolarHBondContact O-CE1 3.31Å; V264-H267 PolarHBondContact O-ND1 2.99Å
265F84.4Confident87.1Confident11 Ų1164.4 Ų64.45%0.04834%0.344CS..THydrogen-bonded Turntrans-92.1-2.7-172.6-58.2-44.9000115.2T238 I239 Y242 L246 A254 Q257 L258 N263 H267 L268T238-F265 HydrophobicContact CG2-CD2 4.06Å; I239-F265 HydrophobicContact CD1-CE2 4.5Å; Y242-F265 HydrophobicContact CD1-CB 4.01Å; Y242-F265 HydrophobicContact CD2-CB 3.34Å; Y242-F265 AromaticContact CD2-CD2 3.88Å; Y242-F265 HydrophobicContact CD2-CD2 3.88Å; Y242-F265 AromaticContact CD2-CG 3.96Å; Y242-F265 HydrophobicContact CD2-CG 3.96Å; Y242-F265 HydrophobicContact CE1-CB 4.02Å; Y242-F265 VanDerWaalsContact CE1-O 3.25Å; Y242-F265 WeakPolarHBondContact CE1-O 3.1Å; Y242-F265 HydrophobicContact CE2-CB 3.36Å; Y242-F265 HydrophobicContact CE2-CG 4.4Å; Y242-F265 HydrophobicContact CG-CB 3.69Å; Y242-F265 HydrophobicContact CG-CD2 4.37Å; Y242-F265 HydrophobicContact CG-CG 4.21Å; Y242-F265 VanDerWaalsContact CZ-O 3.25Å; Y242-F265 PolarHBondContact OH-O 3.41Å; L246-F265 HydrophobicContact CD2-CZ 4.32Å; A254-F265 HydrophobicContact CB-CE2 4.27Å; A254-F265 HydrophobicContact CB-CZ 3.89Å; Q257-F265 HydrophobicContact CB-CZ 4.34Å; Q257-F265 VanDerWaalsContact OE1-CE1 3.27Å; L258-F265 HydrophobicContact CD1-CD2 4.44Å; L258-F265 HydrophobicContact CD1-CE2 3.97Å; L258-F265 HydrophobicContact CD2-CD2 3.76Å; L258-F265 HydrophobicContact CD2-CE2 3.77Å; L258-F265 HydrophobicContact CG-CD2 4.18Å; L258-F265 HydrophobicContact CG-CE2 3.68Å; N263-F265 PolarHBondContact O-N 3.06Å; N263-F265 VanDerWaalsContact O-N 3.09Å; F265-H267 PolarHBondContact O-N 3.49Å; F265-L268 HydrophobicContact CB-CD1 4.09Å; F265-L268 HydrophobicContact CD1-CD1 3.86Å; F265-L268 HydrophobicContact CG-CD1 4.3Å; F265-L268 VanDerWaalsContact O-CB 3.27Å; F265-L268 WeakPolarHBondContact O-CB 3.4Å; F265-L268 PolarHBondContact O-N 3.4Å
266H79.6Confident87.2Confident49 Ų4968.9 Ų68.923%0.22737%0.371CS..G310 helixtrans-57.2-29.9-177.3-85.7-97.7000113.8N263 L268 S269 F281N263-H266 WeakPolarHBondContact CB-CD2 3.48Å; N263-H266 VanDerWaalsContact CG-CD2 3.5Å; N263-H266 PolarHBondContact O-CD2 2.77Å; N263-H266 PolarHBondContact O-N 2.93Å; N263-H266 PolarHBondContact OD1-NE2 3.5Å; H266-L268 PolarHBondContact O-N 3.13Å; H266-S269 PolarHBondContact O-N 3.2Å; H266-F281 AromaticContact CE1-CD1 3.56Å
267H81.8Confident87.3Confident148 Ų14866.7 Ų66.769%0.68536%0.358SS*.G310 helixtrans-67.6-12.2176.771.9-81000114V264 F265V264-H267 PolarHBondContact O-CE1 3.31Å; V264-H267 PolarHBondContact O-ND1 2.99Å; F265-H267 PolarHBondContact O-N 3.49Å
268L84.5Confident87.4Confident62 Ų6267.2 Ų67.233%0.32536%0.359SS..G310 helixtrans-88.4-13.5178.4-57.5176.8000113Y242 C245 F265 H266Y242-L268 HydrophobicContact CD1-CB 3.9Å; Y242-L268 HydrophobicContact CD1-CD1 4.19Å; Y242-L268 HydrophobicContact CE1-CB 3.8Å; C245-L268 HydrophobicContact CB-CD1 4Å; F265-L268 HydrophobicContact CB-CD1 4.09Å; F265-L268 HydrophobicContact CD1-CD1 3.86Å; F265-L268 HydrophobicContact CG-CD1 4.3Å; F265-L268 VanDerWaalsContact O-CB 3.27Å; F265-L268 WeakPolarHBondContact O-CB 3.4Å; F265-L268 PolarHBondContact O-N 3.4Å; H266-L268 PolarHBondContact O-N 3.13Å
269S85.3Confident87.5Confident14 Ų1470.5 Ų70.510%0.09837%0.374CS..SBendtrans-86.8143.2177.1-65.70000111.1Y242 H266Y242-S269 VanDerWaalsContact CE1-OG 3.24Å; Y242-S269 WeakPolarHBondContact CE1-OG 3.49Å; Y242-S269 PolarHBondContact OH-OG 3.04Å; H266-S269 PolarHBondContact O-N 3.2Å
270S86.1Confident87.8Confident60 Ų6068.4 Ų68.442%0.4237%0.365SS..  trans-72.3158.4172.771.50000111E272 E273 L274S270-E272 VanDerWaalsContact C-N 3.26Å; S270-E272 PolarHBondContact O-N 2.89Å; S270-E273 PolarHBondContact O-N 2.9Å; S270-E273 VanDerWaalsContact OG-CB 3.31Å; S270-E273 WeakPolarHBondContact OG-CB 3.24Å; S270-E273 PolarHBondContact OG-N 3Å; S270-L274 WeakPolarHBondContact O-CG 3.44Å; S270-L274 PolarHBondContact O-N 3.06Å
271A87.2Confident88Confident84 Ų8464.8 Ų64.869%0.69433%0.334SS*.Hα-helixtrans-59.4-37.9177.100000112.5E275A271-E275 PolarHBondContact O-N 2.82Å
272E89.4Confident88.3Confident154 Ų15462.6 Ų62.672%0.7232%0.324SS*.Hα-helixtrans-64.6-41.7175.8-175.1-178.6-178.400112.2S270 E275 T276S270-E272 VanDerWaalsContact C-N 3.26Å; S270-E272 PolarHBondContact O-N 2.89Å; E272-E275 PolarHBondContact O-N 3.41Å; E272-T276 WeakPolarHBondContact O-CB 3.39Å; E272-T276 PolarHBondContact O-N 2.95Å; E272-T276 PolarHBondContact O-OG1 3.44Å
273E88Confident88.8Confident15 Ų1560.1 Ų60.17%0.0731%0.313CS..Hα-helixtrans-66-42.7178.2-170.7-179.9146.700111.6R116 W119 S270 E275 T276 H277R116-E273 IonicContact CZ-OE2 3.6Å; R116-E273 IonicContact NH1-OE2 3.71Å; R116-E273 PolarHBondContact NH1-OE2 3.32Å; R116-E273 IonicContact NH2-OE2 3.78Å; R116-E273 PolarHBondContact NH2-OE2 3.47Å; W119-E273 HydrophobicContact CH2-CG 4.38Å; W119-E273 HydrophobicContact CZ2-CG 3.73Å; W119-E273 WeakPolarHBondContact CZ2-OE1 2.86Å; S270-E273 PolarHBondContact O-N 2.9Å; S270-E273 VanDerWaalsContact OG-CB 3.31Å; S270-E273 WeakPolarHBondContact OG-CB 3.24Å; S270-E273 PolarHBondContact OG-N 3Å; E273-E275 VanDerWaalsContact C-N 3.34Å; E273-E275 PolarHBondContact O-N 3.31Å; E273-T276 PolarHBondContact O-N 2.79Å; E273-H277 PolarHBondContact O-N 2.91Å; E273-H277 VanDerWaalsContact O-N 3.08Å
274L88.1Confident89.5Confident54 Ų5457.6 Ų57.628%0.28330%0.3SS..Hα-helixtrans-62.3-40.3175.2-71.7168.1000111.8S270 H277 K278 F281S270-L274 WeakPolarHBondContact O-CG 3.44Å; S270-L274 PolarHBondContact O-N 3.06Å; L274-H277 CarbonylContact O-C 3.59Å; L274-K278 WeakPolarHBondContact O-CA 3.09Å; L274-K278 WeakPolarHBondContact O-CB 3.48Å; L274-K278 PolarHBondContact O-N 3.45Å; L274-F281 HydrophobicContact CD2-CD1 4.19Å; L274-F281 HydrophobicContact CD2-CD2 3.83Å; L274-F281 HydrophobicContact CD2-CE1 4.25Å; L274-F281 HydrophobicContact CD2-CE2 3.9Å; L274-F281 HydrophobicContact CD2-CG 3.98Å; L274-F281 HydrophobicContact CD2-CZ 4.11Å
275E91.6Very high90Very high122 Ų12257.6 Ų57.657%0.5730%0.301SS*.Hα-helixtrans-73.3-42.1178.8-169.560.5-155.500111.8A271 E272 E273 H277 K278A271-E275 PolarHBondContact O-N 2.82Å; E272-E275 PolarHBondContact O-N 3.41Å; E273-E275 VanDerWaalsContact C-N 3.34Å; E273-E275 PolarHBondContact O-N 3.31Å; E275-H277 PolarHBondContact O-N 2.92Å; E275-K278 WeakPolarHBondContact O-CB 3.46Å; E275-K278 PolarHBondContact O-N 2.93Å; E275-K278 IonicContact OE1-NZ 2.75Å; E275-K278 PolarHBondContact OE1-NZ 3.32Å; E275-K278 IonicContact OE2-NZ 3.73Å
276T92.9Very high90.6Very high94 Ų9460.5 Ų60.558%0.57732%0.315SS*.Hα-helixtrans-62.8-33.4179.3-53.80000112E272 E273E272-T276 WeakPolarHBondContact O-CB 3.39Å; E272-T276 PolarHBondContact O-N 2.95Å; E272-T276 PolarHBondContact O-OG1 3.44Å; E273-T276 PolarHBondContact O-N 2.79Å
277H93.3Very high91.4Very high24 Ų2458.2 Ų58.211%0.11130%0.304CS..THydrogen-bonded Turntrans-116.726.9-176.5-55.5-45000113W119 Y123 E273 L274 E275 E279 L280 F281W119-H277 AromaticContact CD1-NE2 3.5Å; W119-H277 AromaticContact CD2-CD2 3.63Å; W119-H277 AromaticContact CD2-CE1 3.83Å; W119-H277 AromaticContact CD2-NE2 3.31Å; W119-H277 VanDerWaalsContact CD2-NE2 3.31Å; W119-H277 AromaticContact CE2-CD2 3.27Å; W119-H277 AromaticContact CE2-NE2 3.1Å; W119-H277 AromaticContact CE3-CD2 3.87Å; W119-H277 AromaticContact CE3-NE2 3.94Å; W119-H277 AromaticContact CG-CE1 3.92Å; W119-H277 AromaticContact CG-NE2 3.6Å; W119-H277 HydrophobicContact CH2-CB 4.45Å; W119-H277 AromaticContact CH2-CD2 3.48Å; W119-H277 VanDerWaalsContact CH2-CD2 3.48Å; W119-H277 WeakPolarHBondContact CH2-CD2 2.95Å; W119-H277 AromaticContact CZ2-CD2 3.21Å; W119-H277 WeakPolarHBondContact CZ2-CD2 3.28Å; W119-H277 AromaticContact CZ2-NE2 3.61Å; W119-H277 HydrophobicContact CZ3-CB 4.42Å; W119-H277 AromaticContact CZ3-CD2 3.79Å; W119-H277 AromaticContact NE1-CD2 3.81Å; W119-H277 AromaticContact NE1-NE2 3.19Å; W119-H277 PolarHBondContact NE1-NE2 3.2Å; W119-H277 VanDerWaalsContact NE1-NE2 3.19Å; Y123-H277 AromaticContact CZ-ND1 4Å; Y123-H277 PolarHBondContact OH-CE1 3.45Å; Y123-H277 VanDerWaalsContact OH-CE1 3.28Å; Y123-H277 PolarHBondContact OH-ND1 3.3Å; E273-H277 PolarHBondContact O-N 2.91Å; E273-H277 VanDerWaalsContact O-N 3.08Å; L274-H277 CarbonylContact O-C 3.59Å; E275-H277 PolarHBondContact O-N 2.92Å; H277-E279 VanDerWaalsContact C-N 3.35Å; H277-E279 PolarHBondContact O-N 3.08Å; H277-L280 WeakPolarHBondContact O-CB 3.22Å; H277-L280 PolarHBondContact O-N 3.19Å; H277-F281 HydrophobicContact CB-CD2 3.99Å; H277-F281 HydrophobicContact CB-CE2 3.89Å; H277-F281 WeakPolarHBondContact O-CD2 3.48Å; H277-F281 PolarHBondContact O-N 3.03Å
278K93.7Very high92Very high107 Ų10751.4 Ų51.447%0.46527%0.272SS..Hα-helixtrans-52.8-44.8-173.2-175.1177.2-173166.30114.5L274 E275 L280 F281 K282L274-K278 WeakPolarHBondContact O-CA 3.09Å; L274-K278 WeakPolarHBondContact O-CB 3.48Å; L274-K278 PolarHBondContact O-N 3.45Å; E275-K278 WeakPolarHBondContact O-CB 3.46Å; E275-K278 PolarHBondContact O-N 2.93Å; E275-K278 IonicContact OE1-NZ 2.75Å; E275-K278 PolarHBondContact OE1-NZ 3.32Å; E275-K278 IonicContact OE2-NZ 3.73Å; K278-L280 PolarHBondContact O-N 3.38Å; K278-F281 PolarHBondContact O-N 3.36Å; K278-K282 WeakPolarHBondContact O-CB 3.41Å; K278-K282 PolarHBondContact O-N 3.2Å
279E94.5Very high92.5Very high72 Ų7251.2 Ų51.234%0.33627%0.269SS..Hα-helixtrans-65.6-38.4179.2-64.4-52.2133.800111.9H277 K282 L283 Y306H277-E279 VanDerWaalsContact C-N 3.35Å; H277-E279 PolarHBondContact O-N 3.08Å; E279-K282 PolarHBondContact O-N 3.01Å; E279-K282 IonicContact OE2-NZ 3.75Å; E279-K282 PolarHBondContact OE2-NZ 2.7Å; E279-L283 WeakPolarHBondContact O-CG 3.28Å; E279-L283 PolarHBondContact O-N 2.9Å; E279-Y306 HydrophobicContact CB-CD1 4.41Å; E279-Y306 HydrophobicContact CB-CD2 3.64Å; E279-Y306 HydrophobicContact CB-CE2 4.1Å; E279-Y306 HydrophobicContact CB-CG 3.81Å; E279-Y306 HydrophobicContact CG-CD2 4.27Å
280L95.1Very high92.8Very high0 Ų052.6 Ų52.60%028%0.275CS..Hα-helixtrans-63-49.2174.2178.465000110.8W119 Y123 F126 I237 I241 H277 K278 K282 L283 L284 Y306W119-L280 HydrophobicContact CZ3-CD2 3.92Å; Y123-L280 HydrophobicContact CE1-CD2 3.99Å; F126-L280 HydrophobicContact CD1-CD1 3.85Å; F126-L280 HydrophobicContact CE1-CD1 3.78Å; I237-L280 HydrophobicContact CG2-CD1 4.4Å; I241-L280 HydrophobicContact CD1-CD2 4.03Å; H277-L280 WeakPolarHBondContact O-CB 3.22Å; H277-L280 PolarHBondContact O-N 3.19Å; K278-L280 PolarHBondContact O-N 3.38Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 3.39Å; L280-L283 PolarHBondContact O-N 2.73Å; L280-L283 VanDerWaalsContact O-N 3.17Å; L280-L284 HydrophobicContact CD1-CD1 4.41Å; L280-L284 HydrophobicContact CD1-CG 4.24Å; L280-L284 HydrophobicContact CG-CD1 4.05Å; L280-L284 HydrophobicContact CG-CG 4.3Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 2.93Å; L280-Y306 HydrophobicContact CB-CE1 4.42Å
281F94.4Very high93.2Very high9 Ų952.8 Ų52.84%0.03927%0.271CS..Hα-helixtrans-63.7-35.4-179.6-78.5-66.2000113.2W119 I241 Y242 H266 L274 H277 K278 L284 S285W119-F281 HydrophobicContact CH2-CZ 4.39Å; I241-F281 HydrophobicContact CD1-CE1 4.27Å; I241-F281 HydrophobicContact CD1-CZ 4.49Å; I241-F281 HydrophobicContact CG2-CE1 4.44Å; I241-F281 HydrophobicContact CG2-CZ 4.24Å; Y242-F281 WeakPolarHBondContact OH-CE1 3.47Å; H266-F281 AromaticContact CE1-CD1 3.56Å; L274-F281 HydrophobicContact CD2-CD1 4.19Å; L274-F281 HydrophobicContact CD2-CD2 3.83Å; L274-F281 HydrophobicContact CD2-CE1 4.25Å; L274-F281 HydrophobicContact CD2-CE2 3.9Å; L274-F281 HydrophobicContact CD2-CG 3.98Å; L274-F281 HydrophobicContact CD2-CZ 4.11Å; H277-F281 HydrophobicContact CB-CD2 3.99Å; H277-F281 HydrophobicContact CB-CE2 3.89Å; H277-F281 WeakPolarHBondContact O-CD2 3.48Å; H277-F281 PolarHBondContact O-N 3.03Å; K278-F281 PolarHBondContact O-N 3.36Å; F281-L284 HydrophobicContact CD1-CD1 4.4Å; F281-S285 PolarHBondContact O-N 3.11Å; F281-S285 PolarHBondContact O-OG 3.09Å
282K94.2Very high93.5Very high97 Ų9750.6 Ų50.642%0.42225%0.25SS..Hα-helixtrans-61.2-48.7171.3175.1-170.1165.9-156.10111K278 E279 L280 S285 Q286K278-K282 WeakPolarHBondContact O-CB 3.41Å; K278-K282 PolarHBondContact O-N 3.2Å; E279-K282 PolarHBondContact O-N 3.01Å; E279-K282 IonicContact OE2-NZ 3.75Å; E279-K282 PolarHBondContact OE2-NZ 2.7Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 3.39Å; K282-S285 WeakPolarHBondContact O-CB 3.35Å; K282-S285 PolarHBondContact O-N 3.09Å; K282-Q286 WeakPolarHBondContact O-CG 3.28Å; K282-Q286 PolarHBondContact O-N 3.45Å
283L96.2Very high93.7Very high0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-62.5-45.4177.1-71.8172.9000111.6E279 L280 S285 Q286 M287 I296 L301 D304 Y306 V307E279-L283 WeakPolarHBondContact O-CG 3.28Å; E279-L283 PolarHBondContact O-N 2.9Å; L280-L283 PolarHBondContact O-N 2.73Å; L280-L283 VanDerWaalsContact O-N 3.17Å; L283-S285 VanDerWaalsContact C-N 3.26Å; L283-S285 PolarHBondContact O-N 3.21Å; L283-Q286 CarbonylContact O-C 3.49Å; L283-Q286 WeakPolarHBondContact O-CA 3.41Å; L283-Q286 WeakPolarHBondContact O-CB 3.25Å; L283-Q286 PolarHBondContact O-N 3.05Å; L283-M287 HydrophobicContact CB-SD 4.47Å; L283-M287 VanDerWaalsContact O-CG 3.23Å; L283-M287 WeakPolarHBondContact O-CG 3.2Å; L283-M287 PolarHBondContact O-N 3.15Å; L283-I296 HydrophobicContact CD2-CD1 4.48Å; L283-L301 HydrophobicContact CD2-CD1 3.94Å; L283-D304 HydrophobicContact CD2-CB 4.31Å; L283-Y306 HydrophobicContact CD1-CD1 3.57Å; L283-Y306 HydrophobicContact CD1-CE1 4.21Å; L283-Y306 HydrophobicContact CD1-CG 4.45Å; L283-V307 HydrophobicContact CD1-CG2 3.64Å
284L95.6Very high94.1Very high4 Ų453.1 Ų53.12%0.02127%0.273CS..Hα-helixtrans-57.1-41177.1-69.6176.2000111.9I237 I241 L280 F281 Q286 M287 M288I237-L284 HydrophobicContact CB-CD2 3.83Å; I237-L284 HydrophobicContact CD1-CD2 4.15Å; I237-L284 HydrophobicContact CG2-CD1 4.02Å; I237-L284 HydrophobicContact CG2-CD2 3.76Å; I237-L284 HydrophobicContact CG2-CG 4.43Å; I241-L284 HydrophobicContact CD1-CD1 3.61Å; L280-L284 HydrophobicContact CD1-CD1 4.41Å; L280-L284 HydrophobicContact CD1-CG 4.24Å; L280-L284 HydrophobicContact CG-CD1 4.05Å; L280-L284 HydrophobicContact CG-CG 4.3Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 2.93Å; F281-L284 HydrophobicContact CD1-CD1 4.4Å; L284-Q286 PolarHBondContact O-N 2.89Å; L284-M287 HydrophobicContact CD2-SD 4.45Å; L284-M287 PolarHBondContact O-N 3.2Å; L284-M288 WeakPolarHBondContact O-CB 3.48Å; L284-M288 VanDerWaalsContact O-CG 3.28Å; L284-M288 WeakPolarHBondContact O-CG 3.3Å; L284-M288 PolarHBondContact O-N 2.81Å
285S94.5Very high94.5Very high29 Ų2950.7 Ų50.720%0.20326%0.26CS..Hα-helixtrans-63-28.5175.9-62.10000113.4N263 F281 K282 L283N263-S285 PolarHBondContact ND2-OG 2.92Å; F281-S285 PolarHBondContact O-N 3.11Å; F281-S285 PolarHBondContact O-OG 3.09Å; K282-S285 WeakPolarHBondContact O-CB 3.35Å; K282-S285 PolarHBondContact O-N 3.09Å; L283-S285 VanDerWaalsContact C-N 3.26Å; L283-S285 PolarHBondContact O-N 3.21Å
286Q96.2Very high94.8Very high73 Ų7346 Ų4634%0.34124%0.239SC..Hα-helixtrans-86.5-34.6177-65.3176-30.500112.5K282 L283 L284 R295 I296K282-Q286 WeakPolarHBondContact O-CG 3.28Å; K282-Q286 PolarHBondContact O-N 3.45Å; L283-Q286 CarbonylContact O-C 3.49Å; L283-Q286 WeakPolarHBondContact O-CA 3.41Å; L283-Q286 WeakPolarHBondContact O-CB 3.25Å; L283-Q286 PolarHBondContact O-N 3.05Å; L284-Q286 PolarHBondContact O-N 2.89Å; Q286-R295 WeakPolarHBondContact O-CG 3.28Å; Q286-I296 HydrophobicContact CB-CB 4.05Å; Q286-I296 HydrophobicContact CB-CG2 4.11Å; Q286-I296 PolarHBondContact O-N 2.97Å; Q286-I296 VanDerWaalsContact O-N 3.15Å
287M96.1Very high94.9Very high0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-71.1-35.5176.5-65.5171.871.200111.7F126 V230 W231 L233 L283 L284 K289 R295 I296 L301F126-M287 HydrophobicContact CE2-CE 4.08Å; F126-M287 HydrophobicContact CE2-SD 4.37Å; F126-M287 HydrophobicContact CZ-CE 4.4Å; F126-M287 HydrophobicContact CZ-SD 4.09Å; V230-M287 HydrophobicContact CG1-CB 3.82Å; V230-M287 HydrophobicContact CG1-CE 4.14Å; V230-M287 HydrophobicContact CG1-CG 3.69Å; V230-M287 VanDerWaalsContact O-CE 3.3Å; V230-M287 WeakPolarHBondContact O-CE 3.43Å; W231-M287 WeakPolarHBondContact CA-O 3.05Å; L233-M287 HydrophobicContact CB-CE 3.92Å; L233-M287 HydrophobicContact CD2-CE 3.94Å; L233-M287 HydrophobicContact CG-CE 3.77Å; L283-M287 HydrophobicContact CB-SD 4.47Å; L283-M287 VanDerWaalsContact O-CG 3.23Å; L283-M287 WeakPolarHBondContact O-CG 3.2Å; L283-M287 PolarHBondContact O-N 3.15Å; L284-M287 HydrophobicContact CD2-SD 4.45Å; L284-M287 PolarHBondContact O-N 3.2Å; M287-K289 VanDerWaalsContact C-N 3.32Å; M287-K289 PolarHBondContact O-N 3.08Å; M287-R295 WeakPolarHBondContact O-CD 3.32Å; M287-R295 WeakPolarHBondContact O-CG 3.32Å; M287-I296 HydrophobicContact CB-CG2 4.44Å; M287-I296 HydrophobicContact CG-CG2 3.82Å; M287-L301 HydrophobicContact CE-CD2 4Å; M287-L301 HydrophobicContact CG-CD1 4.28Å; M287-L301 HydrophobicContact CG-CD2 4.46Å; M287-L301 HydrophobicContact SD-CD1 4.1Å; M287-L301 HydrophobicContact SD-CD2 4.25Å
288M94.8Very high94.9Very high5 Ų541.7 Ų41.73%0.02522%0.215CC..THydrogen-bonded Turntrans-90.815-173.9-67.8-62.5-69.100114.4W231 C235 L258 L284 N290W231-M288 HydrophobicContact CD2-CE 4.07Å; W231-M288 HydrophobicContact CD2-SD 3.97Å; W231-M288 VanDerWaalsContact CE2-CE 3.47Å; W231-M288 HydrophobicContact CG-SD 4.11Å; W231-M288 HydrophobicContact CH2-CE 3.94Å; W231-M288 HydrophobicContact CZ2-CE 3.41Å; W231-M288 VanDerWaalsContact CZ2-CE 3.41Å; W231-M288 HydrophobicContact CZ2-SD 4.4Å; W231-M288 HydrophobicContact CZ3-CE 4.48Å; W231-M288 PolarHBondContact NE1-O 3.38Å; C235-M288 VanDerWaalsContact CA-SD 3.56Å; C235-M288 HydrophobicContact CB-CE 3.73Å; C235-M288 HydrophobicContact CB-SD 3.85Å; C235-M288 PolarHBondContact N-SD 3.37Å; L258-M288 HydrophobicContact CB-CE 4.02Å; L258-M288 HydrophobicContact CD1-CE 4.3Å; L284-M288 WeakPolarHBondContact O-CB 3.48Å; L284-M288 VanDerWaalsContact O-CG 3.28Å; L284-M288 WeakPolarHBondContact O-CG 3.3Å; L284-M288 PolarHBondContact O-N 2.81Å; M288-N290 PolarHBondContact O-N 2.83Å
289K95.3Very high94.8Very high58 Ų5840.5 Ų40.525%0.25221%0.214SC..  trans-62.3127.3173.3-69.2-60.3-173.8176.60111.3E262 M287 E294 R295E262-K289 WeakPolarHBondContact OE1-CA 3.3Å; E262-K289 WeakPolarHBondContact OE1-CD 3.23Å; E262-K289 VanDerWaalsContact OE2-CD 3.26Å; E262-K289 WeakPolarHBondContact OE2-CD 3.48Å; E262-K289 IonicContact OE2-NZ 2.78Å; E262-K289 PolarHBondContact OE2-NZ 2.96Å; M287-K289 VanDerWaalsContact C-N 3.32Å; M287-K289 PolarHBondContact O-N 3.08Å; K289-E294 HydrophobicContact CB-CB 4.35Å; K289-E294 HydrophobicContact CG-CB 4.38Å; K289-R295 HydrophobicContact CB-CB 3.9Å; K289-R295 HydrophobicContact CB-CG 4.28Å; K289-R295 PolarHBondContact O-NE 3.33Å; K289-R295 PolarHBondContact O-NH2 3.15Å; K289-R295 VanDerWaalsContact O-NH2 3.09Å
290N92.8Very high94.9Very high44 Ų4441.4 Ų41.424%0.23522%0.221CC..SBendtrans-69.5-40.3-177.6-82.9-13.2000111.7K259 E262 M288 P292 R295K259-N290 PolarHBondContact O-ND2 3.4Å; E262-N290 PolarHBondContact OE1-N 2.89Å; M288-N290 PolarHBondContact O-N 2.83Å; N290-P292 VanDerWaalsContact O-CD 3.3Å; N290-P292 WeakPolarHBondContact O-CD 3.32Å; N290-R295 PolarHBondContact O-NH2 3.46Å
291N93Very high95Very high63 Ų6341.4 Ų41.434%0.33722%0.221SC..SBendtrans-73.5117172-178.61.3000110S293 E294 R295N291-S293 PolarHBondContact O-N 3.49Å; N291-S293 VanDerWaalsContact O-N 3.12Å; N291-S293 WeakPolarHBondContact OD1-CB 3.34Å; N291-S293 PolarHBondContact OD1-N 3.27Å; N291-S293 PolarHBondContact OD1-OG 3.47Å; N291-E294 HydrophobicContact CB-CB 4.34Å; N291-E294 HydrophobicContact CB-CG 4.29Å; N291-E294 PolarHBondContact ND2-OE1 2.74Å; N291-E294 PolarHBondContact O-N 2.74Å; N291-E294 VanDerWaalsContact O-N 3.09Å; N291-R295 PolarHBondContact O-N 3.09Å
292P93.5Very high94.9Very high39 Ų3942.3 Ų42.325%0.25323%0.226SC..THydrogen-bonded Turntrans-58.5-27178.1-24.135.1000113.1E218 K227 N290 E294 R295E218-P292 HydrophobicContact CB-CG 4.32Å; E218-P292 HydrophobicContact CG-CG 4.02Å; K227-P292 WeakPolarHBondContact CD-O 3.49Å; K227-P292 WeakPolarHBondContact CE-O 3.42Å; K227-P292 PolarHBondContact NZ-O 2.84Å; N290-P292 VanDerWaalsContact O-CD 3.3Å; N290-P292 WeakPolarHBondContact O-CD 3.32Å; P292-E294 VanDerWaalsContact C-N 3.33Å; P292-E294 PolarHBondContact O-N 3.23Å; P292-R295 PolarHBondContact O-N 3.07Å
293S95Very high94.9Very high99 Ų9943.1 Ų43.169%0.69224%0.235SC*.THydrogen-bonded Turntrans-67.5-34178.9-53.90000112.4K227 N291K227-S293 PolarHBondContact NZ-O 2.8Å; N291-S293 PolarHBondContact O-N 3.49Å; N291-S293 VanDerWaalsContact O-N 3.12Å; N291-S293 WeakPolarHBondContact OD1-CB 3.34Å; N291-S293 PolarHBondContact OD1-N 3.27Å; N291-S293 PolarHBondContact OD1-OG 3.47Å
294E95.9Very high94.8Very high123 Ų12344.6 Ų44.658%0.57524%0.243SC*.THydrogen-bonded Turntrans-88.9-17.1-179.5-68.4166.6-141.500113.2K289 N291 P292K289-E294 HydrophobicContact CB-CB 4.35Å; K289-E294 HydrophobicContact CG-CB 4.38Å; N291-E294 HydrophobicContact CB-CB 4.34Å; N291-E294 HydrophobicContact CB-CG 4.29Å; N291-E294 PolarHBondContact ND2-OE1 2.74Å; N291-E294 PolarHBondContact O-N 2.74Å; N291-E294 VanDerWaalsContact O-N 3.09Å; P292-E294 VanDerWaalsContact C-N 3.33Å; P292-E294 PolarHBondContact O-N 3.23Å
295R96.7Very high94.8Very high3 Ų350.4 Ų50.41%0.01127%0.273CS..SBendtrans-69.3138.8179.5-164.5-176.2-57.8155.43.6111.2E218 K227 Q286 M287 K289 N290 N291 P292 S297E218-R295 IonicContact OE1-CZ 3.26Å; E218-R295 IonicContact OE1-NH1 3.81Å; E218-R295 PolarHBondContact OE1-NH1 3.45Å; E218-R295 IonicContact OE1-NH2 2.91Å; E218-R295 PolarHBondContact OE1-NH2 2.92Å; E218-R295 IonicContact OE2-CZ 2.72Å; E218-R295 IonicContact OE2-NH1 2.79Å; E218-R295 IonicContact OE2-NH2 3.47Å; E218-R295 PolarHBondContact OE2-NH2 3.36Å; K227-R295 HydrophobicContact CD-CB 4.33Å; K227-R295 VanDerWaalsContact CE-O 3.28Å; K227-R295 WeakPolarHBondContact CE-O 3.37Å; K227-R295 PolarHBondContact NZ-O 3.28Å; K227-R295 WeakPolarHBondContact O-CD 3.47Å; K227-R295 PolarHBondContact O-NH1 3.27Å; Q286-R295 WeakPolarHBondContact O-CG 3.28Å; M287-R295 WeakPolarHBondContact O-CD 3.32Å; M287-R295 WeakPolarHBondContact O-CG 3.32Å; K289-R295 HydrophobicContact CB-CB 3.9Å; K289-R295 HydrophobicContact CB-CG 4.28Å; K289-R295 PolarHBondContact O-NE 3.33Å; K289-R295 PolarHBondContact O-NH2 3.15Å; K289-R295 VanDerWaalsContact O-NH2 3.09Å; N290-R295 PolarHBondContact O-NH2 3.46Å; N291-R295 PolarHBondContact O-N 3.09Å; P292-R295 PolarHBondContact O-N 3.07Å; R295-S297 PolarHBondContact O-N 3.01Å
296I97.1Very high94.7Very high22 Ų2251.9 Ų51.911%0.11328%0.275CS..PPolyproline II helixtrans-55.2136.3173.5-167171000110.1V230 L283 Q286 M287 D300 L301V230-I296 HydrophobicContact CG1-CG2 3.89Å; L283-I296 HydrophobicContact CD2-CD1 4.48Å; Q286-I296 HydrophobicContact CB-CB 4.05Å; Q286-I296 HydrophobicContact CB-CG2 4.11Å; Q286-I296 PolarHBondContact O-N 2.97Å; Q286-I296 VanDerWaalsContact O-N 3.15Å; M287-I296 HydrophobicContact CB-CG2 4.44Å; M287-I296 HydrophobicContact CG-CG2 3.82Å; I296-D300 HydrophobicContact CD1-CB 4.17Å; I296-D300 HydrophobicContact CG1-CB 3.66Å; I296-L301 HydrophobicContact CD1-CB 4.1Å; I296-L301 HydrophobicContact CD1-CD1 4.26Å; I296-L301 HydrophobicContact CG1-CB 4.36Å
297S95.1Very high94.7Very high25 Ų2548.4 Ų48.418%0.17526%0.258CS..PPolyproline II helixtrans-75.1159.7174.480.20000110.4R295 N299 D300 L301R295-S297 PolarHBondContact O-N 3.01Å; S297-N299 PolarHBondContact O-N 3.08Å; S297-N299 PolarHBondContact OG-N 3.32Å; S297-D300 WeakPolarHBondContact CB-OD2 3.35Å; S297-D300 PolarHBondContact N-OD2 2.88Å; S297-D300 PolarHBondContact O-N 3.43Å; S297-D300 PolarHBondContact OG-N 3.28Å; S297-D300 VanDerWaalsContact OG-N 3.1Å; S297-D300 PolarHBondContact OG-OD2 2.84Å; S297-L301 WeakPolarHBondContact O-CB 3.15Å; S297-L301 PolarHBondContact O-N 3.39Å
298L92.5Very high94.5Very high3 Ų352 Ų522%0.01628%0.275CS..Hα-helixtrans-58.9-36.6173176.362.9000111.6L130 I133 K137 D226 V230 L301 L302L130-L298 HydrophobicContact CD2-CD1 4.26Å; I133-L298 HydrophobicContact CG2-CD1 4.05Å; I133-L298 HydrophobicContact CG2-CD2 3.53Å; I133-L298 HydrophobicContact CG2-CG 4.46Å; K137-L298 HydrophobicContact CD-CD2 3.8Å; D226-L298 HydrophobicContact CB-CB 4.05Å; D226-L298 HydrophobicContact CB-CD2 4.36Å; V230-L298 HydrophobicContact CG2-CB 4.05Å; V230-L298 HydrophobicContact CG2-CD1 4.28Å; L298-L301 PolarHBondContact O-N 3.46Å; L298-L302 HydrophobicContact CD1-CD1 4.13Å; L298-L302 HydrophobicContact CD1-CG 4.15Å; L298-L302 HydrophobicContact CG-CD1 4.03Å; L298-L302 HydrophobicContact CG-CG 4.45Å; L298-L302 WeakPolarHBondContact O-CB 3.42Å; L298-L302 WeakPolarHBondContact O-CG 3.3Å; L298-L302 PolarHBondContact O-N 3.49Å
299N93.1Very high94.2Very high83 Ų8355 Ų5544%0.44429%0.294SS..Hα-helixtrans-66.8-48.1179.5-67.6-7.6000110.9K137 S297 L301 L302 D303K137-N299 PolarHBondContact NZ-OD1 3.43Å; S297-N299 PolarHBondContact O-N 3.08Å; S297-N299 PolarHBondContact OG-N 3.32Å; N299-L301 VanDerWaalsContact C-N 3.25Å; N299-L301 PolarHBondContact O-N 2.91Å; N299-L302 PolarHBondContact O-N 3.22Å; N299-L302 VanDerWaalsContact O-N 3.08Å; N299-D303 PolarHBondContact O-N 3Å
300D96.1Very high94Very high90 Ų9053 Ų5348%0.48129%0.286SS..Hα-helixtrans-63.1-35.3178.1-54.4-44.3000111.5I296 S297 D303 D304I296-D300 HydrophobicContact CD1-CB 4.17Å; I296-D300 HydrophobicContact CG1-CB 3.66Å; S297-D300 WeakPolarHBondContact CB-OD2 3.35Å; S297-D300 PolarHBondContact N-OD2 2.88Å; S297-D300 PolarHBondContact O-N 3.43Å; S297-D300 PolarHBondContact OG-N 3.28Å; S297-D300 VanDerWaalsContact OG-N 3.1Å; S297-D300 PolarHBondContact OG-OD2 2.84Å; D300-D303 PolarHBondContact O-N 3.32Å; D300-D304 PolarHBondContact O-N 3.06Å
301L96.1Very high93.8Very high0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-64.3-40.9174.4-177.265.3000111.6F126 L130 V230 L283 M287 I296 S297 L298 N299 D303 D304 V307F126-L301 HydrophobicContact CZ-CD1 4.48Å; L130-L301 HydrophobicContact CD2-CD2 3.83Å; V230-L301 HydrophobicContact CG1-CD2 4.27Å; V230-L301 HydrophobicContact CG2-CD2 4.2Å; L283-L301 HydrophobicContact CD2-CD1 3.94Å; M287-L301 HydrophobicContact CE-CD2 4Å; M287-L301 HydrophobicContact CG-CD1 4.28Å; M287-L301 HydrophobicContact CG-CD2 4.46Å; M287-L301 HydrophobicContact SD-CD1 4.1Å; M287-L301 HydrophobicContact SD-CD2 4.25Å; I296-L301 HydrophobicContact CD1-CB 4.1Å; I296-L301 HydrophobicContact CD1-CD1 4.26Å; I296-L301 HydrophobicContact CG1-CB 4.36Å; S297-L301 WeakPolarHBondContact O-CB 3.15Å; S297-L301 PolarHBondContact O-N 3.39Å; L298-L301 PolarHBondContact O-N 3.46Å; N299-L301 VanDerWaalsContact C-N 3.25Å; N299-L301 PolarHBondContact O-N 2.91Å; L301-D303 VanDerWaalsContact C-N 3.3Å; L301-D304 WeakPolarHBondContact O-CB 3.41Å; L301-D304 PolarHBondContact O-N 3.34Å; L301-V307 HydrophobicContact CD1-CG2 3.84Å; L301-V307 HydrophobicContact CG-CG2 4.3Å; L301-V307 WeakPolarHBondContact O-CB 3.19Å; L301-V307 VanDerWaalsContact O-CG1 3.3Å; L301-V307 WeakPolarHBondContact O-CG1 3.5Å; L301-V307 VanDerWaalsContact O-CG2 3.3Å; L301-V307 WeakPolarHBondContact O-CG2 3.5Å
302L92.8Very high93.3Very high29 Ų2956.1 Ų56.115%0.15230%0.295CS..Hα-helixtrans-72.2-24.4177.5-68.1172.4000112.8T134 L298 N299 Q308 M311T134-L302 HydrophobicContact CG2-CD1 4.16Å; T134-L302 WeakPolarHBondContact OG1-CD1 3.3Å; T134-L302 WeakPolarHBondContact OG1-CD2 3.2Å; L298-L302 HydrophobicContact CD1-CD1 4.13Å; L298-L302 HydrophobicContact CD1-CG 4.15Å; L298-L302 HydrophobicContact CG-CD1 4.03Å; L298-L302 HydrophobicContact CG-CG 4.45Å; L298-L302 WeakPolarHBondContact O-CB 3.42Å; L298-L302 WeakPolarHBondContact O-CG 3.3Å; L298-L302 PolarHBondContact O-N 3.49Å; N299-L302 PolarHBondContact O-N 3.22Å; N299-L302 VanDerWaalsContact O-N 3.08Å; L302-Q308 WeakPolarHBondContact O-CG 3.35Å; L302-M311 HydrophobicContact CD2-CE 4.1Å; L302-M311 HydrophobicContact CD2-SD 3.42Å; L302-M311 WeakPolarHBondContact CD2-SD 3.21Å
303D93.9Very high92.8Very high113 Ų11360.6 Ų60.660%0.60431%0.312SS*.Hα-helixtrans-82.1-14.1176.6-72.2-22.6000113.2N299 D300 L301 L305 Q308N299-D303 PolarHBondContact O-N 3Å; D300-D303 PolarHBondContact O-N 3.32Å; L301-D303 VanDerWaalsContact C-N 3.3Å; D303-L305 PolarHBondContact O-N 2.89Å; D303-Q308 PolarHBondContact O-NE2 3.15Å
304D95.6Very high92.3Very high32 Ų3256.1 Ų56.117%0.17128%0.281CS..SBendtrans-65.1132.2176.2-179.4-85.7000112.2L283 D300 L301 Y306 V307 Q308L283-D304 HydrophobicContact CD2-CB 4.31Å; D300-D304 PolarHBondContact O-N 3.06Å; L301-D304 WeakPolarHBondContact O-CB 3.41Å; L301-D304 PolarHBondContact O-N 3.34Å; D304-Y306 VanDerWaalsContact C-N 3.32Å; D304-Y306 PolarHBondContact O-N 3.13Å; D304-Y306 WeakPolarHBondContact OD1-CA 3.49Å; D304-Y306 WeakPolarHBondContact OD1-CB 3.41Å; D304-Y306 PolarHBondContact OD1-N 3.04Å; D304-V307 HydrophobicContact CB-CB 4.23Å; D304-V307 HydrophobicContact CB-CG2 4.11Å; D304-V307 PolarHBondContact O-N 2.99Å; D304-V307 VanDerWaalsContact O-N 3.15Å; D304-V307 PolarHBondContact OD1-N 2.86Å; D304-V307 VanDerWaalsContact OD1-N 3.16Å; D304-Q308 WeakPolarHBondContact O-CG 3.41Å; D304-Q308 PolarHBondContact O-N 3.41Å
305L94.2Very high91.5Very high126 Ų12653.3 Ų53.366%0.6627%0.27SS*.Hα-helixtrans-60.7-38.9-175.3-179.864.2000112.6D303 Q308 V309D303-L305 PolarHBondContact O-N 2.89Å; L305-Q308 PolarHBondContact O-N 3.32Å; L305-V309 WeakPolarHBondContact O-CG2 3.24Å; L305-V309 PolarHBondContact O-N 2.96Å; L305-V309 VanDerWaalsContact O-N 3.07Å
306Y93.9Very high90.3Very high59 Ų5953.6 Ų53.623%0.23127%0.272CS..Hα-helixtrans-66.3-42.2178.6173.9-90.2000110.3Y123 E279 L280 L283 D304 V309 L310Y123-Y306 WeakPolarHBondContact CE1-OH 3.05Å; E279-Y306 HydrophobicContact CB-CD1 4.41Å; E279-Y306 HydrophobicContact CB-CD2 3.64Å; E279-Y306 HydrophobicContact CB-CE2 4.1Å; E279-Y306 HydrophobicContact CB-CG 3.81Å; E279-Y306 HydrophobicContact CG-CD2 4.27Å; L280-Y306 HydrophobicContact CB-CE1 4.42Å; L283-Y306 HydrophobicContact CD1-CD1 3.57Å; L283-Y306 HydrophobicContact CD1-CE1 4.21Å; L283-Y306 HydrophobicContact CD1-CG 4.45Å; D304-Y306 VanDerWaalsContact C-N 3.32Å; D304-Y306 PolarHBondContact O-N 3.13Å; D304-Y306 WeakPolarHBondContact OD1-CA 3.49Å; D304-Y306 WeakPolarHBondContact OD1-CB 3.41Å; D304-Y306 PolarHBondContact OD1-N 3.04Å; Y306-V309 PolarHBondContact O-N 2.99Å; Y306-L310 WeakPolarHBondContact O-CB 3.38Å; Y306-L310 PolarHBondContact O-N 3.46Å
307V94.3Very high89.2Confident0 Ų057.3 Ų57.30%029%0.289CS..Hα-helixtrans-63.6-41.8174.5174.80000111.8F126 L130 L283 L301 D304 V309 L310 M311F126-V307 HydrophobicContact CZ-CG2 4.29Å; L130-V307 HydrophobicContact CD1-CG1 3.47Å; L130-V307 VanDerWaalsContact CD1-CG1 3.47Å; L283-V307 HydrophobicContact CD1-CG2 3.64Å; L301-V307 HydrophobicContact CD1-CG2 3.84Å; L301-V307 HydrophobicContact CG-CG2 4.3Å; L301-V307 WeakPolarHBondContact O-CB 3.19Å; L301-V307 VanDerWaalsContact O-CG1 3.3Å; L301-V307 WeakPolarHBondContact O-CG1 3.5Å; L301-V307 VanDerWaalsContact O-CG2 3.3Å; L301-V307 WeakPolarHBondContact O-CG2 3.5Å; D304-V307 HydrophobicContact CB-CB 4.23Å; D304-V307 HydrophobicContact CB-CG2 4.11Å; D304-V307 PolarHBondContact O-N 2.99Å; D304-V307 VanDerWaalsContact O-N 3.15Å; D304-V307 PolarHBondContact OD1-N 2.86Å; D304-V307 VanDerWaalsContact OD1-N 3.16Å; V307-V309 VanDerWaalsContact C-N 3.31Å; V307-V309 PolarHBondContact O-N 3.08Å; V307-L310 WeakPolarHBondContact O-CB 3.43Å; V307-L310 PolarHBondContact O-N 3.44Å; V307-M311 HydrophobicContact CG1-CG 4.13Å; V307-M311 HydrophobicContact CG1-SD 4.08Å; V307-M311 WeakPolarHBondContact O-CB 3.46Å; V307-M311 WeakPolarHBondContact O-CG 3.39Å; V307-M311 PolarHBondContact O-N 2.87Å
308Q92Very high88.1Confident76 Ų7661.8 Ų61.836%0.35531%0.305SS..Hα-helixtrans-61.1-39.2176.4-71.1179.4400112.4L302 D303 D304 L305 K312L302-Q308 WeakPolarHBondContact O-CG 3.35Å; D303-Q308 PolarHBondContact O-NE2 3.15Å; D304-Q308 WeakPolarHBondContact O-CG 3.41Å; D304-Q308 PolarHBondContact O-N 3.41Å; L305-Q308 PolarHBondContact O-N 3.32Å; Q308-K312 WeakPolarHBondContact O-CG 3.49Å; Q308-K312 PolarHBondContact O-N 3.16Å; Q308-K312 VanDerWaalsContact O-N 3.11Å
309V90.3Very high87.2Confident67 Ų6764 Ų6441%0.40632%0.317SS..Hα-helixtrans-65.6-47173.91730000110.5L305 Y306 V307 M311 K312 H313L305-V309 WeakPolarHBondContact O-CG2 3.24Å; L305-V309 PolarHBondContact O-N 2.96Å; L305-V309 VanDerWaalsContact O-N 3.07Å; Y306-V309 PolarHBondContact O-N 2.99Å; V307-V309 VanDerWaalsContact C-N 3.31Å; V307-V309 PolarHBondContact O-N 3.08Å; V309-M311 VanDerWaalsContact C-N 3.32Å; V309-M311 PolarHBondContact O-N 3.39Å; V309-K312 WeakPolarHBondContact O-CB 3.35Å; V309-K312 PolarHBondContact O-N 3.5Å; V309-K312 VanDerWaalsContact O-N 3.16Å; V309-H313 PolarHBondContact O-CD2 3.19Å; V309-H313 PolarHBondContact O-N 3.37Å
310L90.3Very high86.3Confident16 Ų1663.9 Ų63.98%0.08431%0.314CS..Hα-helixtrans-57.4-44.3177-176.169.3000112.4Y123 F126 Y306 V307 K312 H313 T314Y123-L310 HydrophobicContact CD1-CD1 4.21Å; Y123-L310 HydrophobicContact CG-CD1 4.22Å; Y123-L310 WeakPolarHBondContact O-CD1 3.3Å; F126-L310 HydrophobicContact CB-CD2 3.92Å; F126-L310 HydrophobicContact CD1-CD2 3.21Å; F126-L310 HydrophobicContact CD2-CD2 4.34Å; F126-L310 HydrophobicContact CE1-CD2 3.74Å; F126-L310 HydrophobicContact CG-CD2 3.55Å; F126-L310 HydrophobicContact CZ-CD2 4.5Å; Y306-L310 WeakPolarHBondContact O-CB 3.38Å; Y306-L310 PolarHBondContact O-N 3.46Å; V307-L310 WeakPolarHBondContact O-CB 3.43Å; V307-L310 PolarHBondContact O-N 3.44Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 3.08Å; L310-H313 PolarHBondContact O-N 3.47Å; L310-T314 PolarHBondContact O-N 3.13Å; L310-T314 PolarHBondContact O-OG1 3.41Å
311M87.7Confident85.6Confident37 Ų3763.3 Ų63.318%0.18231%0.306CS..Hα-helixtrans-66.5-32.6178.3-73.9-169.67600112.4L130 L302 V307 V309 H313 T314 N315L130-M311 HydrophobicContact CB-CE 4.41Å; L130-M311 HydrophobicContact CB-CG 4.4Å; L130-M311 HydrophobicContact CB-SD 4.21Å; L302-M311 HydrophobicContact CD2-CE 4.1Å; L302-M311 HydrophobicContact CD2-SD 3.42Å; L302-M311 WeakPolarHBondContact CD2-SD 3.21Å; V307-M311 HydrophobicContact CG1-CG 4.13Å; V307-M311 HydrophobicContact CG1-SD 4.08Å; V307-M311 WeakPolarHBondContact O-CB 3.46Å; V307-M311 WeakPolarHBondContact O-CG 3.39Å; V307-M311 PolarHBondContact O-N 2.87Å; V309-M311 VanDerWaalsContact C-N 3.32Å; V309-M311 PolarHBondContact O-N 3.39Å; M311-H313 VanDerWaalsContact C-N 3.29Å; M311-H313 PolarHBondContact O-N 3.32Å; M311-T314 WeakPolarHBondContact CA-OG1 3.45Å; M311-T314 CarbonylContact O-C 3.53Å; M311-T314 PolarHBondContact O-N 3.37Å; M311-T314 PolarHBondContact O-OG1 3.42Å; M311-N315 WeakPolarHBondContact O-CA 3.26Å; M311-N315 VanDerWaalsContact O-CB 3.26Å; M311-N315 WeakPolarHBondContact O-CB 3.47Å; M311-N315 PolarHBondContact O-N 2.89Å
312K83.1Confident84.7Confident137 Ų13765.6 Ų65.660%0.59632%0.324SS*.Hα-helixtrans-60.4-39.7173.2-75.7171.1-176.9175.90112.1Q308 V309 L310 T314Q308-K312 WeakPolarHBondContact O-CG 3.49Å; Q308-K312 PolarHBondContact O-N 3.16Å; Q308-K312 VanDerWaalsContact O-N 3.11Å; V309-K312 WeakPolarHBondContact O-CB 3.35Å; V309-K312 PolarHBondContact O-N 3.5Å; V309-K312 VanDerWaalsContact O-N 3.16Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 3.08Å; K312-T314 VanDerWaalsContact C-N 3.33Å
313H82.4Confident83.9Confident132 Ų13270 Ų7061%0.61134%0.342SS*.Hα-helixtrans-78.5-16.4179.6-67.7-68.2000114.2V309 L310 M311V309-H313 PolarHBondContact O-CD2 3.19Å; V309-H313 PolarHBondContact O-N 3.37Å; L310-H313 PolarHBondContact O-N 3.47Å; M311-H313 VanDerWaalsContact C-N 3.29Å; M311-H313 PolarHBondContact O-N 3.32Å
314T84.3Confident83.5Confident6 Ų666.7 Ų66.74%0.03732%0.321CS..Hα-helixtrans-111.92.5179.251.40000112.8Y72 G127 L310 M311 K312 P316Y72-T314 WeakPolarHBondContact CE2-O 3.42Å; Y72-T314 PolarHBondContact OH-O 2.99Å; G127-T314 WeakPolarHBondContact CA-OG1 3.32Å; G127-T314 PolarHBondContact O-OG1 2.95Å; L310-T314 PolarHBondContact O-N 3.13Å; L310-T314 PolarHBondContact O-OG1 3.41Å; M311-T314 WeakPolarHBondContact CA-OG1 3.45Å; M311-T314 CarbonylContact O-C 3.53Å; M311-T314 PolarHBondContact O-N 3.37Å; M311-T314 PolarHBondContact O-OG1 3.42Å; K312-T314 VanDerWaalsContact C-N 3.33Å; T314-P316 VanDerWaalsContact O-CD 3.3Å; T314-P316 WeakPolarHBondContact O-CD 3.17Å
315N79.5Confident83Confident64 Ų6467 Ų6734%0.34233%0.325SS..  trans-65.2122.4179.4-178-42.3000109.4M311 E317 F318 I319M311-N315 WeakPolarHBondContact O-CA 3.26Å; M311-N315 VanDerWaalsContact O-CB 3.26Å; M311-N315 WeakPolarHBondContact O-CB 3.47Å; M311-N315 PolarHBondContact O-N 2.89Å; N315-E317 PolarHBondContact O-N 3.4Å; N315-E317 WeakPolarHBondContact OD1-CA 3.43Å; N315-E317 WeakPolarHBondContact OD1-CB 3.49Å; N315-E317 PolarHBondContact OD1-N 3.18Å; N315-F318 HydrophobicContact CB-CB 3.9Å; N315-F318 WeakPolarHBondContact O-CB 3.48Å; N315-F318 PolarHBondContact O-N 3.36Å; N315-F318 PolarHBondContact OD1-N 3.13Å; N315-I319 WeakPolarHBondContact O-CG1 3.4Å; N315-I319 PolarHBondContact O-N 3.49Å
316P72Confident82.5Confident8 Ų866.5 Ų66.55%0.05232%0.322CS..Hα-helixtrans-60.7-39.2-180-25.533.2000114.6P71 Y72 T131 T314 F318 I319 M320P71-P316 HydrophobicContact CB-CB 3.7Å; P71-P316 HydrophobicContact CB-CG 4.46Å; P71-P316 HydrophobicContact CG-CB 3.4Å; P71-P316 VanDerWaalsContact CG-CB 3.4Å; P71-P316 HydrophobicContact CG-CG 4.28Å; Y72-P316 HydrophobicContact CD2-CG 3.92Å; Y72-P316 HydrophobicContact CE2-CG 3.68Å; Y72-P316 HydrophobicContact CG-CG 4.5Å; T131-P316 HydrophobicContact CG2-CG 3.67Å; T314-P316 VanDerWaalsContact O-CD 3.3Å; T314-P316 WeakPolarHBondContact O-CD 3.17Å; P316-F318 VanDerWaalsContact C-N 3.31Å; P316-I319 PolarHBondContact O-N 3.37Å; P316-M320 VanDerWaalsContact O-CB 3.27Å; P316-M320 WeakPolarHBondContact O-CB 3.26Å; P316-M320 WeakPolarHBondContact O-CG 3.26Å; P316-M320 PolarHBondContact O-N 3.24Å
317E73Confident82.1Confident100 Ų10064.8 Ų64.847%0.46732%0.318SS..Hα-helixtrans-63.7-41.7177.1-170.7178.2176.600110.1N315 R321 K471N315-E317 PolarHBondContact O-N 3.4Å; N315-E317 WeakPolarHBondContact OD1-CA 3.43Å; N315-E317 WeakPolarHBondContact OD1-CB 3.49Å; N315-E317 PolarHBondContact OD1-N 3.18Å; E317-R321 WeakPolarHBondContact O-CB 3.49Å; E317-R321 PolarHBondContact O-N 3.1Å; E317-K471 IonicContact OE1-NZ 2.7Å; E317-K471 PolarHBondContact OE1-NZ 3.39Å
318F73.3Confident81.8Confident119 Ų11967.4 Ų67.452%0.52233%0.334SS..Hα-helixtrans-63.8-46.3175.4-176.7-96.9000111.9N315 P316 R321 A322N315-F318 HydrophobicContact CB-CB 3.9Å; N315-F318 WeakPolarHBondContact O-CB 3.48Å; N315-F318 PolarHBondContact O-N 3.36Å; N315-F318 PolarHBondContact OD1-N 3.13Å; P316-F318 VanDerWaalsContact C-N 3.31Å; F318-R321 PolarHBondContact O-N 3.43Å; F318-A322 WeakPolarHBondContact O-CB 3.31Å; F318-A322 PolarHBondContact O-N 3.28Å
319I72.3Confident81.6Confident49 Ų4965 Ų6525%0.25133%0.327SS..Hα-helixtrans-65.5-44.4179.2-69164.1000111.2Y72 N315 P316 R321 A322 K323Y72-I319 WeakPolarHBondContact OH-CD1 3.42Å; N315-I319 WeakPolarHBondContact O-CG1 3.4Å; N315-I319 PolarHBondContact O-N 3.49Å; P316-I319 PolarHBondContact O-N 3.37Å; I319-R321 VanDerWaalsContact C-N 3.32Å; I319-R321 PolarHBondContact O-N 2.91Å; I319-A322 PolarHBondContact O-N 3.38Å; I319-K323 PolarHBondContact O-N 3.13Å
320M75.9Confident81.5Confident81 Ų8166 Ų6640%0.39934%0.342SS..Hα-helixtrans-63.9-40.9177.3-70.7-63-17900110.8P71 P316 K323 R324P71-M320 HydrophobicContact CB-CE 3.93Å; P316-M320 VanDerWaalsContact O-CB 3.27Å; P316-M320 WeakPolarHBondContact O-CB 3.26Å; P316-M320 WeakPolarHBondContact O-CG 3.26Å; P316-M320 PolarHBondContact O-N 3.24Å; M320-K323 PolarHBondContact O-N 3.41Å; M320-R324 WeakPolarHBondContact O-CG 3.42Å; M320-R324 PolarHBondContact O-N 3.08Å; M320-R324 VanDerWaalsContact O-N 3.14Å; M320-R324 PolarHBondContact O-NH1 3.29Å
321R81.1Confident81.4Confident79 Ų7971.1 Ų71.130%0.29837%0.366SS..Hα-helixtrans-63.1-46.3173.5-171.4179.2-177.5-164.7-1.8111.8E317 F318 I319 K323 R324 C325 E354 A393E317-R321 WeakPolarHBondContact O-CB 3.49Å; E317-R321 PolarHBondContact O-N 3.1Å; F318-R321 PolarHBondContact O-N 3.43Å; I319-R321 VanDerWaalsContact C-N 3.32Å; I319-R321 PolarHBondContact O-N 2.91Å; R321-K323 VanDerWaalsContact C-N 3.25Å; R321-K323 PolarHBondContact O-N 3.47Å; R321-R324 CarbonylContact O-C 3.54Å; R321-R324 WeakPolarHBondContact O-CA 3.47Å; R321-R324 WeakPolarHBondContact O-CB 3.35Å; R321-R324 PolarHBondContact O-N 2.99Å; R321-C325 PolarHBondContact O-N 3.28Å; R321-C325 PolarHBondContact O-SG 2.82Å; R321-C325 VanDerWaalsContact O-SG 3.38Å; R321-E354 VanDerWaalsContact CG-OE2 3.27Å; R321-E354 WeakPolarHBondContact CG-OE2 3.33Å; R321-E354 IonicContact CZ-OE1 3.78Å; R321-E354 VanDerWaalsContact CZ-OE1 3.32Å; R321-E354 IonicContact NE-OE1 2.71Å; R321-E354 PolarHBondContact NE-OE1 3.48Å; R321-E354 IonicContact NE-OE2 3.28Å; R321-E354 PolarHBondContact NE-OE2 2.54Å; R321-E354 VanDerWaalsContact NE-OE2 3.14Å; R321-E354 IonicContact NH2-OE1 3.75Å; R321-E354 PolarHBondContact NH2-OE1 2.89Å; R321-A393 VanDerWaalsContact NH1-CB 3.33Å; R321-A393 PolarHBondContact NH2-O 3.07Å
322A75.7Confident81.5Confident47 Ų4772.9 Ų72.939%0.38837%0.372SS..Hα-helixtrans-54.2-44.517700000111F318 I319 R324 C325 I326F318-A322 WeakPolarHBondContact O-CB 3.31Å; F318-A322 PolarHBondContact O-N 3.28Å; I319-A322 PolarHBondContact O-N 3.38Å; A322-R324 VanDerWaalsContact C-N 3.34Å; A322-R324 PolarHBondContact O-N 3.48Å; A322-C325 CarbonylContact O-C 3.51Å; A322-C325 PolarHBondContact O-N 3.29Å; A322-C325 VanDerWaalsContact O-N 3.09Å; A322-I326 WeakPolarHBondContact O-CG1 3.44Å; A322-I326 PolarHBondContact O-N 3.48Å; A322-I326 VanDerWaalsContact O-N 3.13Å
323K77.7Confident82Confident123 Ų12370.5 Ų70.554%0.53537%0.371SS..Hα-helixtrans-59.1-40.6173.3-72.2-178.5177.9-176.60113.3I319 M320 R321 C325 I326I319-K323 PolarHBondContact O-N 3.13Å; M320-K323 PolarHBondContact O-N 3.41Å; R321-K323 VanDerWaalsContact C-N 3.25Å; R321-K323 PolarHBondContact O-N 3.47Å; K323-C325 VanDerWaalsContact C-N 3.28Å; K323-C325 PolarHBondContact O-N 3.41Å; K323-I326 HydrophobicContact CB-CD1 4.5Å; K323-I326 HydrophobicContact CG-CD1 4.45Å; K323-I326 PolarHBondContact O-N 3.04Å
324R84.6Confident82.6Confident42 Ų4264.7 Ų64.716%0.15834%0.344CS..Hα-helixtrans-68.2-26.7175.4-65.9-167.8-58-88.92.6112.9M320 R321 A322 Q352 H353 E354 L390 H391M320-R324 WeakPolarHBondContact O-CG 3.42Å; M320-R324 PolarHBondContact O-N 3.08Å; M320-R324 VanDerWaalsContact O-N 3.14Å; M320-R324 PolarHBondContact O-NH1 3.29Å; R321-R324 CarbonylContact O-C 3.54Å; R321-R324 WeakPolarHBondContact O-CA 3.47Å; R321-R324 WeakPolarHBondContact O-CB 3.35Å; R321-R324 PolarHBondContact O-N 2.99Å; A322-R324 VanDerWaalsContact C-N 3.34Å; A322-R324 PolarHBondContact O-N 3.48Å; R324-Q352 WeakPolarHBondContact CB-O 3.48Å; R324-Q352 WeakPolarHBondContact CD-O 3.45Å; R324-Q352 WeakPolarHBondContact CG-O 3.15Å; R324-H353 CarbonylContact O-C 3.46Å; R324-H353 WeakPolarHBondContact O-CA 3.26Å; R324-E354 HydrophobicContact CB-CB 4.25Å; R324-E354 PolarHBondContact O-N 3.13Å; R324-L390 PolarHBondContact NH2-O 3.11Å; R324-H391 PolarHBondContact NE-ND1 3.22Å
325C85.9Confident83Confident38 Ų3866 Ų6626%0.25735%0.352SS..Hα-helixtrans-88.2-5.5177.4-650000114.3R321 A322 K323 V327 N355R321-C325 PolarHBondContact O-N 3.28Å; R321-C325 PolarHBondContact O-SG 2.82Å; R321-C325 VanDerWaalsContact O-SG 3.38Å; A322-C325 CarbonylContact O-C 3.51Å; A322-C325 PolarHBondContact O-N 3.29Å; A322-C325 VanDerWaalsContact O-N 3.09Å; K323-C325 VanDerWaalsContact C-N 3.28Å; K323-C325 PolarHBondContact O-N 3.41Å; C325-V327 PolarHBondContact O-N 3.05Å; C325-N355 PolarHBondContact O-ND2 2.98Å
326I84Confident83.5Confident117 Ų11765.8 Ų65.860%0.635%0.353SS*.SBendtrans-60-48.3179.9-70.5172.5000110.5A322 K323 T328A322-I326 WeakPolarHBondContact O-CG1 3.44Å; A322-I326 PolarHBondContact O-N 3.48Å; A322-I326 VanDerWaalsContact O-N 3.13Å; K323-I326 HydrophobicContact CB-CD1 4.5Å; K323-I326 HydrophobicContact CG-CD1 4.45Å; K323-I326 PolarHBondContact O-N 3.04Å; I326-T328 PolarHBondContact O-N 3.07Å
327V85.5Confident84.3Confident23 Ų2373.3 Ų73.314%0.13939%0.393CS..SBendtrans-74.6125.6-177.6179.70000109.5C325 E331 K332 H353 N355C325-V327 PolarHBondContact O-N 3.05Å; V327-E331 VanDerWaalsContact CA-OE2 3.32Å; V327-E331 WeakPolarHBondContact CA-OE2 3.29Å; V327-E331 HydrophobicContact CG1-CB 4.47Å; V327-K332 HydrophobicContact CG1-CB 4.43Å; V327-K332 HydrophobicContact CG1-CD 3.86Å; V327-K332 HydrophobicContact CG1-CG 3.88Å; V327-H353 HydrophobicContact CB-CB 4.17Å; V327-H353 HydrophobicContact CG1-CB 4.46Å; V327-H353 WeakPolarHBondContact CG2-CE1 3.25Å; V327-H353 WeakPolarHBondContact CG2-ND1 3.48Å; V327-N355 PolarHBondContact O-ND2 3.48Å
328T87.2Confident85.1Confident55 Ų5572.5 Ų72.534%0.33739%0.392SS..  trans-91.8155.3-177.872.30000111.5I326 A330 E331 K332I326-T328 PolarHBondContact O-N 3.07Å; T328-A330 PolarHBondContact O-N 3.11Å; T328-A330 VanDerWaalsContact O-N 3.12Å; T328-A330 PolarHBondContact OG1-N 3.06Å; T328-E331 PolarHBondContact N-OE2 3.14Å; T328-E331 PolarHBondContact O-N 3.43Å; T328-E331 WeakPolarHBondContact OG1-CG 3.45Å; T328-E331 PolarHBondContact OG1-N 3.29Å; T328-K332 PolarHBondContact O-N 3.3Å
329A86.7Confident85.8Confident25 Ų2570.6 Ų70.621%0.20739%0.39CS..THydrogen-bonded Turntrans-65.8-9.8172.500000113.3K332 P333 K359A329-K332 CarbonylContact O-C 3.58Å; A329-P333 VanDerWaalsContact O-CA 3.3Å; A329-P333 WeakPolarHBondContact O-CA 3.49Å; A329-K359 HydrophobicContact CB-CD 4Å
330A88.8Confident86.5Confident87 Ų8770.4 Ų70.472%0.71939%0.389SS*.THydrogen-bonded Turntrans-85.2-39.7173.200000111.8T328 K332T328-A330 PolarHBondContact O-N 3.11Å; T328-A330 VanDerWaalsContact O-N 3.12Å; T328-A330 PolarHBondContact OG1-N 3.06Å; A330-K332 VanDerWaalsContact C-N 3.33Å
331E87.6Confident87.1Confident124 Ų12471.9 Ų71.958%0.57940%0.395SS*.THydrogen-bonded Turntrans-65.9-37175.6-71.7167.9164.500112V327 T328V327-E331 VanDerWaalsContact CA-OE2 3.32Å; V327-E331 WeakPolarHBondContact CA-OE2 3.29Å; V327-E331 HydrophobicContact CG1-CB 4.47Å; T328-E331 PolarHBondContact N-OE2 3.14Å; T328-E331 PolarHBondContact O-N 3.43Å; T328-E331 WeakPolarHBondContact OG1-CG 3.45Å; T328-E331 PolarHBondContact OG1-N 3.29Å
332K90.7Very high87.5Confident75 Ų7569.2 Ų69.233%0.32639%0.389SS..SBendtrans-125.382.5175.8-61.6-167-177.9179.10109.6V327 T328 A329 A330 Y346 N350 H353V327-K332 HydrophobicContact CG1-CB 4.43Å; V327-K332 HydrophobicContact CG1-CD 3.86Å; V327-K332 HydrophobicContact CG1-CG 3.88Å; T328-K332 PolarHBondContact O-N 3.3Å; A329-K332 CarbonylContact O-C 3.58Å; A330-K332 VanDerWaalsContact C-N 3.33Å; K332-Y346 PolarHBondContact O-OH 3.25Å; K332-N350 WeakPolarHBondContact CD-OD1 3.45Å; K332-N350 PolarHBondContact NZ-OD1 3.13Å; K332-H353 PolarHBondContact NZ-CD2 3.25Å; K332-H353 VanDerWaalsContact NZ-CD2 3.33Å; K332-H353 PolarHBondContact NZ-NE2 3.3Å
333P92.9Very high88.3Confident87 Ų8767.8 Ų67.857%0.56537%0.374SS*.  trans-67.5136.8-176.227.1-33.8000112.1A329 Y346A329-P333 VanDerWaalsContact O-CA 3.3Å; A329-P333 WeakPolarHBondContact O-CA 3.49Å; P333-Y346 VanDerWaalsContact O-CE2 3.3Å; P333-Y346 WeakPolarHBondContact O-CE2 3.2Å
334F94.9Very high88.8Confident10 Ų1062.6 Ų62.64%0.04435%0.353CS..  trans-67.8129.3173.7179.2-112.9000110.8V336 K343 Y346 K359 A360 W363 F364F334-V336 VanDerWaalsContact C-N 3.32Å; F334-V336 HydrophobicContact CD1-CG2 3.63Å; F334-V336 HydrophobicContact CE1-CG2 4.16Å; F334-V336 PolarHBondContact O-N 3.36Å; F334-K343 HydrophobicContact CE2-CB 4.1Å; F334-K343 HydrophobicContact CE2-CG 4.17Å; F334-K343 HydrophobicContact CZ-CB 3.96Å; F334-K343 HydrophobicContact CZ-CD 4.26Å; F334-K343 HydrophobicContact CZ-CG 3.75Å; F334-Y346 HydrophobicContact CB-CE1 4.33Å; F334-Y346 AromaticContact CD2-CD1 3.56Å; F334-Y346 HydrophobicContact CD2-CD1 3.56Å; F334-Y346 HydrophobicContact CD2-CD2 4.5Å; F334-Y346 AromaticContact CD2-CE1 3.79Å; F334-Y346 HydrophobicContact CD2-CE1 3.79Å; F334-Y346 AromaticContact CD2-CG 3.93Å; F334-Y346 HydrophobicContact CD2-CG 3.93Å; F334-Y346 HydrophobicContact CE2-CD1 4.14Å; F334-Y346 HydrophobicContact CE2-CG 4.47Å; F334-K359 HydrophobicContact CB-CD 4.03Å; F334-K359 HydrophobicContact CB-CG 4.09Å; F334-A360 HydrophobicContact CD2-CB 3.59Å; F334-A360 HydrophobicContact CE2-CB 3.57Å; F334-A360 HydrophobicContact CG-CB 4.37Å; F334-A360 HydrophobicContact CZ-CB 4.33Å; F334-W363 HydrophobicContact CD1-CB 4.34Å; F334-W363 HydrophobicContact CD1-CG 4.31Å; F334-W363 HydrophobicContact CE1-CB 3.73Å; F334-W363 AromaticContact CE1-CD2 3.62Å; F334-W363 HydrophobicContact CE1-CD2 3.62Å; F334-W363 AromaticContact CE1-CE3 3.99Å; F334-W363 HydrophobicContact CE1-CE3 3.99Å; F334-W363 AromaticContact CE1-CG 3.49Å; F334-W363 HydrophobicContact CE1-CG 3.49Å; F334-W363 VanDerWaalsContact CE1-CG 3.49Å; F334-W363 HydrophobicContact CZ-CB 4.34Å; F334-W363 HydrophobicContact CZ-CD2 4.04Å; F334-W363 AromaticContact CZ-CE3 3.9Å; F334-W363 HydrophobicContact CZ-CE3 3.9Å; F334-W363 HydrophobicContact CZ-CG 4.23Å; F334-F364 HydrophobicContact CZ-CE2 4.45Å
335P93.4Very high89.1Confident33 Ų3366.7 Ų66.721%0.21437%0.371CS..  trans-78.871.7-17533-38.4000112.6N337 D338 K343 Y346P335-N337 VanDerWaalsContact C-N 3.34Å; P335-N337 PolarHBondContact O-N 3.32Å; P335-D338 HydrophobicContact CB-CB 3.77Å; P335-D338 PolarHBondContact O-N 3.33Å; P335-K343 HydrophobicContact CG-CG 4.4Å; P335-K343 WeakPolarHBondContact O-CE 3.48Å; P335-K343 WeakPolarHBondContact O-CG 3Å; P335-Y346 VanDerWaalsContact CD-CD2 3.48Å; P335-Y346 HydrophobicContact CG-CD2 4.36Å; P335-Y346 HydrophobicContact CG-CG 4.48Å
336V89.5Confident89.4Confident59 Ų5965.7 Ų65.736%0.35836%0.363SS..THydrogen-bonded Turntrans-56.8-41.4-174.8176.80000113.4F334 K343F334-V336 VanDerWaalsContact C-N 3.32Å; F334-V336 HydrophobicContact CD1-CG2 3.63Å; F334-V336 HydrophobicContact CE1-CG2 4.16Å; F334-V336 PolarHBondContact O-N 3.36Å; V336-K343 WeakPolarHBondContact O-CE 3.18Å; V336-K343 PolarHBondContact O-NZ 3.45Å
337N89.8Confident89.7Confident166 Ų16660.4 Ų60.489%0.88834%0.335SS*.THydrogen-bonded Turntrans-925.4-174.8-63.9-23.7000113.8P335P335-N337 VanDerWaalsContact C-N 3.34Å; P335-N337 PolarHBondContact O-N 3.32Å
338D89Confident89.9Confident84 Ų8463.7 Ų63.745%0.44935%0.349SS..SBendtrans-92.3175.8-176.9-150-37.4000111.5P335 A342 K343P335-D338 HydrophobicContact CB-CB 3.77Å; P335-D338 PolarHBondContact O-N 3.33Å; D338-A342 HydrophobicContact CB-CB 3.84Å; D338-A342 WeakPolarHBondContact OD1-CB 3.38Å; D338-K343 VanDerWaalsContact O-CE 3.26Å; D338-K343 WeakPolarHBondContact O-CE 3.27Å; D338-K343 PolarHBondContact O-NZ 2.86Å
339T88.9Confident90Very high78 Ų7865.7 Ų65.748%0.47936%0.358SS..  trans-54.8155.2173.559.90000112.3E341 A342 K343T339-E341 PolarHBondContact O-N 2.95Å; T339-A342 PolarHBondContact O-N 2.9Å; T339-A342 WeakPolarHBondContact OG1-CB 3.04Å; T339-A342 PolarHBondContact OG1-N 2.81Å; T339-K343 PolarHBondContact O-N 3.47Å
340M86.9Confident90.2Very high46 Ų4665.1 Ų65.123%0.22735%0.351CS..Hα-helixtrans-62.2-35.5176.5-167.159.873.300111.3K343 I344 W363 F364 L376M340-K343 PolarHBondContact O-N 3.4Å; M340-K343 HydrophobicContact SD-CD 4.32Å; M340-I344 HydrophobicContact CG-CD1 4.27Å; M340-I344 WeakPolarHBondContact O-CG1 3.25Å; M340-I344 PolarHBondContact O-N 3.04Å; M340-W363 HydrophobicContact CE-CH2 4.34Å; M340-W363 HydrophobicContact SD-CZ3 4.48Å; M340-F364 HydrophobicContact SD-CE1 3.75Å; M340-L376 HydrophobicContact CE-CD2 3.71Å; M340-L376 HydrophobicContact CG-CD1 3.68Å; M340-L376 HydrophobicContact CG-CD2 4.5Å; M340-L376 HydrophobicContact SD-CD1 3.58Å; M340-L376 VanDerWaalsContact SD-CD1 3.58Å; M340-L376 HydrophobicContact SD-CD2 3.73Å; M340-L376 HydrophobicContact SD-CG 4.3Å
341E87.8Confident90.2Very high111 Ų11166.7 Ų66.752%0.51934%0.339SS..Hα-helixtrans-59.9-44174.1-73.764.3-147.600112.1T339 K343 I344 K345 R379T339-E341 PolarHBondContact O-N 2.95Å; E341-K343 VanDerWaalsContact C-N 3.32Å; E341-K343 PolarHBondContact O-N 2.99Å; E341-I344 PolarHBondContact O-N 3.05Å; E341-K345 VanDerWaalsContact O-CB 3.26Å; E341-K345 WeakPolarHBondContact O-CB 3.24Å; E341-K345 PolarHBondContact O-N 3.49Å; E341-R379 IonicContact OE1-NH1 3.32Å; E341-R379 PolarHBondContact OE1-NH1 3.45Å
342A90.5Very high90.2Very high23 Ų2365.6 Ų65.619%0.1933%0.333CS..Hα-helixtrans-63.9-37.8176.300000112.1D338 T339 K345 Y346D338-A342 HydrophobicContact CB-CB 3.84Å; D338-A342 WeakPolarHBondContact OD1-CB 3.38Å; T339-A342 PolarHBondContact O-N 2.9Å; T339-A342 WeakPolarHBondContact OG1-CB 3.04Å; T339-A342 PolarHBondContact OG1-N 2.81Å; A342-K345 PolarHBondContact O-N 3.32Å; A342-Y346 WeakPolarHBondContact O-CB 3.24Å; A342-Y346 PolarHBondContact O-N 3.33Å
343K91.5Very high90.2Very high17 Ų1763.7 Ų63.77%0.07433%0.326CS..Hα-helixtrans-68.3-41.7177.3-66.9164.6176.41540112.4F334 P335 V336 D338 T339 M340 E341 Y346 L347 W363 F364F334-K343 HydrophobicContact CE2-CB 4.1Å; F334-K343 HydrophobicContact CE2-CG 4.17Å; F334-K343 HydrophobicContact CZ-CB 3.96Å; F334-K343 HydrophobicContact CZ-CD 4.26Å; F334-K343 HydrophobicContact CZ-CG 3.75Å; P335-K343 HydrophobicContact CG-CG 4.4Å; P335-K343 WeakPolarHBondContact O-CE 3.48Å; P335-K343 WeakPolarHBondContact O-CG 3Å; V336-K343 WeakPolarHBondContact O-CE 3.18Å; V336-K343 PolarHBondContact O-NZ 3.45Å; D338-K343 VanDerWaalsContact O-CE 3.26Å; D338-K343 WeakPolarHBondContact O-CE 3.27Å; D338-K343 PolarHBondContact O-NZ 2.86Å; T339-K343 PolarHBondContact O-N 3.47Å; M340-K343 PolarHBondContact O-N 3.4Å; M340-K343 HydrophobicContact SD-CD 4.32Å; E341-K343 VanDerWaalsContact C-N 3.32Å; E341-K343 PolarHBondContact O-N 2.99Å; K343-Y346 WeakPolarHBondContact O-CB 3.39Å; K343-Y346 PolarHBondContact O-N 3.31Å; K343-L347 PolarHBondContact O-N 3.12Å; K343-W363 HydrophobicContact CD-CE3 4.38Å; K343-W363 HydrophobicContact CD-CH2 3.66Å; K343-W363 HydrophobicContact CD-CZ2 4.24Å; K343-W363 HydrophobicContact CD-CZ3 3.72Å; K343-F364 HydrophobicContact CB-CE1 4.38Å; K343-F364 HydrophobicContact CB-CZ 3.75Å
344I89Confident90.3Very high15 Ų1559.7 Ų59.78%0.07730%0.299CS..Hα-helixtrans-65.9-44.5173.9-66.2169.2000110M340 E341 Y346 L347 H348 F364 L376 R379 L380M340-I344 HydrophobicContact CG-CD1 4.27Å; M340-I344 WeakPolarHBondContact O-CG1 3.25Å; M340-I344 PolarHBondContact O-N 3.04Å; E341-I344 PolarHBondContact O-N 3.05Å; I344-Y346 VanDerWaalsContact C-N 3.27Å; I344-Y346 PolarHBondContact O-N 3.09Å; I344-L347 WeakPolarHBondContact O-CB 3.49Å; I344-L347 PolarHBondContact O-N 3.47Å; I344-H348 PolarHBondContact O-CD2 3.33Å; I344-H348 VanDerWaalsContact O-CD2 3.29Å; I344-H348 PolarHBondContact O-N 3.19Å; I344-F364 HydrophobicContact CG1-CZ 4.42Å; I344-L376 HydrophobicContact CD1-CD1 3.79Å; I344-L376 HydrophobicContact CG1-CD1 4.14Å; I344-R379 HydrophobicContact CD1-CB 4.34Å; I344-L380 HydrophobicContact CG1-CD2 4.29Å
345K90.1Very high90.2Very high127 Ų12761.5 Ų61.555%0.55231%0.31SS*.Hα-helixtrans-58-39.7175.7-177.3177.4176.6-178.10111.9E341 A342 L347 H348 D349E341-K345 VanDerWaalsContact O-CB 3.26Å; E341-K345 WeakPolarHBondContact O-CB 3.24Å; E341-K345 PolarHBondContact O-N 3.49Å; A342-K345 PolarHBondContact O-N 3.32Å; K345-L347 VanDerWaalsContact C-N 3.28Å; K345-L347 PolarHBondContact O-N 2.81Å; K345-H348 WeakPolarHBondContact O-CB 3.41Å; K345-H348 PolarHBondContact O-N 3.32Å; K345-D349 VanDerWaalsContact CE-OD2 3.28Å; K345-D349 WeakPolarHBondContact CE-OD2 3.47Å; K345-D349 WeakPolarHBondContact CG-OD2 3.3Å; K345-D349 PolarHBondContact O-N 3.47Å
346Y93.4Very high90.2Very high18 Ų1860 Ų607%0.07130%0.299CS..Hα-helixtrans-58-38.8175.2-179.1-83.2000112.7K332 P333 F334 P335 A342 K343 I344 D349 N350 C356 A360K332-Y346 PolarHBondContact O-OH 3.25Å; P333-Y346 VanDerWaalsContact O-CE2 3.3Å; P333-Y346 WeakPolarHBondContact O-CE2 3.2Å; F334-Y346 HydrophobicContact CB-CE1 4.33Å; F334-Y346 AromaticContact CD2-CD1 3.56Å; F334-Y346 HydrophobicContact CD2-CD1 3.56Å; F334-Y346 HydrophobicContact CD2-CD2 4.5Å; F334-Y346 AromaticContact CD2-CE1 3.79Å; F334-Y346 HydrophobicContact CD2-CE1 3.79Å; F334-Y346 AromaticContact CD2-CG 3.93Å; F334-Y346 HydrophobicContact CD2-CG 3.93Å; F334-Y346 HydrophobicContact CE2-CD1 4.14Å; F334-Y346 HydrophobicContact CE2-CG 4.47Å; P335-Y346 VanDerWaalsContact CD-CD2 3.48Å; P335-Y346 HydrophobicContact CG-CD2 4.36Å; P335-Y346 HydrophobicContact CG-CG 4.48Å; A342-Y346 WeakPolarHBondContact O-CB 3.24Å; A342-Y346 PolarHBondContact O-N 3.33Å; K343-Y346 WeakPolarHBondContact O-CB 3.39Å; K343-Y346 PolarHBondContact O-N 3.31Å; I344-Y346 VanDerWaalsContact C-N 3.27Å; I344-Y346 PolarHBondContact O-N 3.09Å; Y346-D349 PolarHBondContact O-N 3.09Å; Y346-N350 WeakPolarHBondContact CD2-ND2 3.31Å; Y346-N350 HydrophobicContact CE1-CB 4.36Å; Y346-N350 WeakPolarHBondContact O-CB 3.5Å; Y346-N350 PolarHBondContact O-N 3.16Å; Y346-N350 VanDerWaalsContact O-N 3.1Å; Y346-N350 PolarHBondContact O-ND2 3.16Å; Y346-C356 HydrophobicContact CE1-CB 4.12Å; Y346-C356 WeakPolarHBondContact OH-CB 3.13Å; Y346-A360 HydrophobicContact CD1-CB 4.02Å; Y346-A360 HydrophobicContact CE1-CB 4.06Å
347L90.7Very high90.5Very high5 Ų557.1 Ų57.13%0.02628%0.282CS..Hα-helixtrans-62.6-44.4173.5-69.3175.2000111.3K343 I344 K345 N350 W351 I357 A360 V361 F364 L380 L387K343-L347 PolarHBondContact O-N 3.12Å; I344-L347 WeakPolarHBondContact O-CB 3.49Å; I344-L347 PolarHBondContact O-N 3.47Å; K345-L347 VanDerWaalsContact C-N 3.28Å; K345-L347 PolarHBondContact O-N 2.81Å; L347-N350 PolarHBondContact O-N 3.41Å; L347-W351 WeakPolarHBondContact O-CA 3.44Å; L347-W351 WeakPolarHBondContact O-CB 3.44Å; L347-W351 PolarHBondContact O-N 3.03Å; L347-I357 HydrophobicContact CD2-CD1 3.71Å; L347-A360 HydrophobicContact CD2-CB 3.49Å; L347-A360 VanDerWaalsContact CD2-CB 3.49Å; L347-A360 HydrophobicContact CG-CB 4.35Å; L347-V361 HydrophobicContact CD2-CG2 4.08Å; L347-F364 HydrophobicContact CD1-CD2 4.04Å; L347-F364 HydrophobicContact CD1-CE2 3.49Å; L347-F364 VanDerWaalsContact CD1-CE2 3.49Å; L347-F364 HydrophobicContact CD1-CZ 4.25Å; L347-F364 HydrophobicContact CD2-CE2 4.42Å; L347-F364 HydrophobicContact CG-CE2 3.94Å; L347-L380 HydrophobicContact CD1-CD2 3.48Å; L347-L380 VanDerWaalsContact CD1-CD2 3.48Å; L347-L387 HydrophobicContact CD2-CD1 4.36Å
348H88Confident90.8Very high92 Ų9251.9 Ų51.943%0.42625%0.252SS..Hα-helixtrans-62.8-41.7177.6-74.7-77.4000112.9I344 K345 N350 W351 H383I344-H348 PolarHBondContact O-CD2 3.33Å; I344-H348 VanDerWaalsContact O-CD2 3.29Å; I344-H348 PolarHBondContact O-N 3.19Å; K345-H348 WeakPolarHBondContact O-CB 3.41Å; K345-H348 PolarHBondContact O-N 3.32Å; H348-N350 VanDerWaalsContact C-N 3.32Å; H348-N350 PolarHBondContact O-N 2.87Å; H348-W351 VanDerWaalsContact O-CD1 3.28Å; H348-H383 AromaticContact CE1-CE1 3.13Å; H348-H383 PolarHBondContact CE1-CE1 3.32Å; H348-H383 AromaticContact CE1-ND1 3.95Å; H348-H383 AromaticContact CE1-NE2 3.16Å; H348-H383 PolarHBondContact CE1-NE2 3.24Å; H348-H383 AromaticContact ND1-CE1 3.85Å; H348-H383 AromaticContact NE2-CE1 3.89Å; H348-H383 AromaticContact NE2-NE2 3.45Å; H348-H383 PolarHBondContact NE2-NE2 2.97Å
349D89.6Confident91Very high98 Ų9852.5 Ų52.552%0.52425%0.251SS..Hα-helixtrans-77.7-21.2-175.3-67.4-13.3000112.1K345 Y346K345-D349 VanDerWaalsContact CE-OD2 3.28Å; K345-D349 WeakPolarHBondContact CE-OD2 3.47Å; K345-D349 WeakPolarHBondContact CG-OD2 3.3Å; K345-D349 PolarHBondContact O-N 3.47Å; Y346-D349 PolarHBondContact O-N 3.09Å
350N91.4Very high91.3Very high12 Ų1248.8 Ų48.86%0.06423%0.228CC..Hα-helixtrans-123.913.4-171.6-59.8-72.7000114.7K332 Y346 L347 H348 Q352 H353 C356 I357K332-N350 WeakPolarHBondContact CD-OD1 3.45Å; K332-N350 PolarHBondContact NZ-OD1 3.13Å; Y346-N350 WeakPolarHBondContact CD2-ND2 3.31Å; Y346-N350 HydrophobicContact CE1-CB 4.36Å; Y346-N350 WeakPolarHBondContact O-CB 3.5Å; Y346-N350 PolarHBondContact O-N 3.16Å; Y346-N350 VanDerWaalsContact O-N 3.1Å; Y346-N350 PolarHBondContact O-ND2 3.16Å; L347-N350 PolarHBondContact O-N 3.41Å; H348-N350 VanDerWaalsContact C-N 3.32Å; H348-N350 PolarHBondContact O-N 2.87Å; N350-Q352 PolarHBondContact O-N 3.42Å; N350-H353 PolarHBondContact O-N 3.05Å; N350-C356 HydrophobicContact CB-CB 4.09Å; N350-I357 HydrophobicContact CB-CD1 4.45Å; N350-I357 WeakPolarHBondContact O-CD1 3.42Å; N350-I357 VanDerWaalsContact O-CG1 3.25Å; N350-I357 WeakPolarHBondContact O-CG1 3.42Å
351W89.8Confident91.7Very high121 Ų12146.6 Ų46.646%0.45822%0.218SC..THydrogen-bonded Turntrans-51.6-28.7-17571.2-84.8000114.7L347 H348 L387 L390 H391L347-W351 WeakPolarHBondContact O-CA 3.44Å; L347-W351 WeakPolarHBondContact O-CB 3.44Å; L347-W351 PolarHBondContact O-N 3.03Å; H348-W351 VanDerWaalsContact O-CD1 3.28Å; W351-L387 HydrophobicContact CB-CD2 3.96Å; W351-L390 HydrophobicContact CE3-CD2 3.57Å; W351-L390 HydrophobicContact CZ3-CD2 3.6Å; W351-H391 PolarHBondContact O-NE2 3.15Å
352Q87.3Confident92Very high101 Ų10143.1 Ų43.147%0.47220%0.204SC..THydrogen-bonded Turntrans-78.8-18.7178.5-60.2-174.7-12.700114.1R324 N350R324-Q352 WeakPolarHBondContact CB-O 3.48Å; R324-Q352 WeakPolarHBondContact CD-O 3.45Å; R324-Q352 WeakPolarHBondContact CG-O 3.15Å; N350-Q352 PolarHBondContact O-N 3.42Å
353H91.1Very high92.2Very high35 Ų3544 Ų4416%0.16220%0.202CC..  trans-96.5104.4-173.5-58.6-48.2000110.8R324 V327 K332 N350 N355 C356 I357R324-H353 CarbonylContact O-C 3.46Å; R324-H353 WeakPolarHBondContact O-CA 3.26Å; V327-H353 HydrophobicContact CB-CB 4.17Å; V327-H353 HydrophobicContact CG1-CB 4.46Å; V327-H353 WeakPolarHBondContact CG2-CE1 3.25Å; V327-H353 WeakPolarHBondContact CG2-ND1 3.48Å; K332-H353 PolarHBondContact NZ-CD2 3.25Å; K332-H353 VanDerWaalsContact NZ-CD2 3.33Å; K332-H353 PolarHBondContact NZ-NE2 3.3Å; N350-H353 PolarHBondContact O-N 3.05Å; H353-N355 PolarHBondContact O-N 3.21Å; H353-C356 HydrophobicContact CB-CB 3.88Å; H353-C356 PolarHBondContact O-N 2.92Å; H353-I357 WeakPolarHBondContact O-CG1 3.42Å; H353-I357 PolarHBondContact O-N 3.08Å
354E93.2Very high92.2Very high2 Ų243.4 Ų43.41%0.00920%0.2CC..Hα-helixtrans-57.9-47.3-170.4-170.7173.9131.200112R321 R324 C356 I357 E358 H391 N394 I397R321-E354 VanDerWaalsContact CG-OE2 3.27Å; R321-E354 WeakPolarHBondContact CG-OE2 3.33Å; R321-E354 IonicContact CZ-OE1 3.78Å; R321-E354 VanDerWaalsContact CZ-OE1 3.32Å; R321-E354 IonicContact NE-OE1 2.71Å; R321-E354 PolarHBondContact NE-OE1 3.48Å; R321-E354 IonicContact NE-OE2 3.28Å; R321-E354 PolarHBondContact NE-OE2 2.54Å; R321-E354 VanDerWaalsContact NE-OE2 3.14Å; R321-E354 IonicContact NH2-OE1 3.75Å; R321-E354 PolarHBondContact NH2-OE1 2.89Å; R324-E354 HydrophobicContact CB-CB 4.25Å; R324-E354 PolarHBondContact O-N 3.13Å; E354-C356 PolarHBondContact O-N 2.87Å; E354-I357 PolarHBondContact O-N 3.3Å; E354-E358 WeakPolarHBondContact O-CB 3.31Å; E354-E358 PolarHBondContact O-N 3.22Å; E354-H391 HydrophobicContact CG-CB 4.42Å; E354-H391 IonicContact OE2-ND1 3.39Å; E354-N394 HydrophobicContact CG-CB 4.16Å; E354-N394 WeakPolarHBondContact OE1-CB 3.47Å; E354-N394 PolarHBondContact OE1-ND2 2.72Å; E354-N394 VanDerWaalsContact OE1-ND2 3.15Å; E354-I397 HydrophobicContact CG-CD1 3.97Å
355N93.2Very high92.3Very high49 Ų4942.9 Ų42.926%0.26220%0.197SC..Hα-helixtrans-64.3-38-178.8-58.2-37.9000112.9C325 V327 H353 K359C325-N355 PolarHBondContact O-ND2 2.98Å; V327-N355 PolarHBondContact O-ND2 3.48Å; H353-N355 PolarHBondContact O-N 3.21Å; N355-K359 PolarHBondContact O-N 3.34Å
356C94.5Very high92.3Very high0 Ų042.8 Ų42.80%020%0.199CC..Hα-helixtrans-67-46.2178.2-65.40000110.7Y346 N350 H353 E354 K359 A360Y346-C356 HydrophobicContact CE1-CB 4.12Å; Y346-C356 WeakPolarHBondContact OH-CB 3.13Å; N350-C356 HydrophobicContact CB-CB 4.09Å; H353-C356 HydrophobicContact CB-CB 3.88Å; H353-C356 PolarHBondContact O-N 2.92Å; E354-C356 PolarHBondContact O-N 2.87Å; C356-K359 PolarHBondContact O-N 2.72Å; C356-A360 PolarHBondContact O-N 2.91Å
357I94.7Very high92.1Very high0 Ų044.3 Ų44.30%021%0.208CC..Hα-helixtrans-68.1-40.6-179.9-67.2-56.1000112L347 N350 H353 E354 K359 A360 V361 L387 I397L347-I357 HydrophobicContact CD2-CD1 3.71Å; N350-I357 HydrophobicContact CB-CD1 4.45Å; N350-I357 WeakPolarHBondContact O-CD1 3.42Å; N350-I357 VanDerWaalsContact O-CG1 3.25Å; N350-I357 WeakPolarHBondContact O-CG1 3.42Å; H353-I357 WeakPolarHBondContact O-CG1 3.42Å; H353-I357 PolarHBondContact O-N 3.08Å; E354-I357 PolarHBondContact O-N 3.3Å; I357-K359 VanDerWaalsContact C-N 3.32Å; I357-K359 PolarHBondContact O-N 2.93Å; I357-A360 PolarHBondContact O-N 3.26Å; I357-V361 HydrophobicContact CG2-CG2 3.78Å; I357-V361 WeakPolarHBondContact O-CG2 3.5Å; I357-V361 PolarHBondContact O-N 3.33Å; I357-L387 HydrophobicContact CD1-CD2 4.33Å; I357-L387 HydrophobicContact CG1-CD2 4.18Å; I357-L387 HydrophobicContact CG2-CD1 3.72Å; I357-L387 HydrophobicContact CG2-CD2 3.86Å; I357-L387 HydrophobicContact CG2-CG 4.22Å; I357-I397 HydrophobicContact CB-CD1 4.4Å; I357-I397 HydrophobicContact CG2-CD1 4.01Å; I357-I397 HydrophobicContact CG2-CG1 4.43Å
358E96.1Very high91.6Very high56 Ų5644.4 Ų44.426%0.26221%0.209SC..Hα-helixtrans-52.7-52174.7177.2171.317800111E354 A360 V361 V362 N394 S396 I397E354-E358 WeakPolarHBondContact O-CB 3.31Å; E354-E358 PolarHBondContact O-N 3.22Å; E358-A360 VanDerWaalsContact C-N 3.31Å; E358-A360 PolarHBondContact O-N 2.83Å; E358-V361 PolarHBondContact O-N 3.34Å; E358-V362 HydrophobicContact CG-CG2 4.27Å; E358-V362 VanDerWaalsContact O-CB 3.32Å; E358-V362 WeakPolarHBondContact O-CB 3.42Å; E358-V362 WeakPolarHBondContact O-CG2 3.3Å; E358-V362 PolarHBondContact O-N 3.48Å; E358-N394 PolarHBondContact OE2-ND2 3.26Å; E358-S396 WeakPolarHBondContact OE1-CB 3.32Å; E358-S396 PolarHBondContact OE1-OG 3.28Å; E358-I397 HydrophobicContact CB-CD1 4.16Å; E358-I397 HydrophobicContact CB-CG1 3.92Å; E358-I397 HydrophobicContact CG-CG1 4.47Å
359K94.4Very high90.9Very high96 Ų9645.8 Ų45.842%0.41722%0.219SC..Hα-helixtrans-59-42.3179-172.2170.4-177.7174.30112.5A329 F334 N355 C356 I357 W363A329-K359 HydrophobicContact CB-CD 4Å; F334-K359 HydrophobicContact CB-CD 4.03Å; F334-K359 HydrophobicContact CB-CG 4.09Å; N355-K359 PolarHBondContact O-N 3.34Å; C356-K359 PolarHBondContact O-N 2.72Å; I357-K359 VanDerWaalsContact C-N 3.32Å; I357-K359 PolarHBondContact O-N 2.93Å; K359-W363 WeakPolarHBondContact O-CB 3.43Å; K359-W363 PolarHBondContact O-N 3.19Å
360A94.6Very high90.1Very high0 Ų047.4 Ų47.40%023%0.227CC..Hα-helixtrans-67.6-49.3179.900000112.3F334 Y346 L347 C356 I357 E358 W363 F364F334-A360 HydrophobicContact CD2-CB 3.59Å; F334-A360 HydrophobicContact CE2-CB 3.57Å; F334-A360 HydrophobicContact CG-CB 4.37Å; F334-A360 HydrophobicContact CZ-CB 4.33Å; Y346-A360 HydrophobicContact CD1-CB 4.02Å; Y346-A360 HydrophobicContact CE1-CB 4.06Å; L347-A360 HydrophobicContact CD2-CB 3.49Å; L347-A360 VanDerWaalsContact CD2-CB 3.49Å; L347-A360 HydrophobicContact CG-CB 4.35Å; C356-A360 PolarHBondContact O-N 2.91Å; I357-A360 PolarHBondContact O-N 3.26Å; E358-A360 VanDerWaalsContact C-N 3.31Å; E358-A360 PolarHBondContact O-N 2.83Å; A360-W363 WeakPolarHBondContact O-CB 3.48Å; A360-W363 PolarHBondContact O-N 3.34Å; A360-F364 WeakPolarHBondContact O-CD2 3.43Å; A360-F364 PolarHBondContact O-N 3.41Å
361V94.6Very high88.7Confident1 Ų148.6 Ų48.61%0.00623%0.234CC..Hα-helixtrans-69.6-37.2-176.5-179.40000111.5L347 I357 E358 F364 A365 L384 L387 I404L347-V361 HydrophobicContact CD2-CG2 4.08Å; I357-V361 HydrophobicContact CG2-CG2 3.78Å; I357-V361 WeakPolarHBondContact O-CG2 3.5Å; I357-V361 PolarHBondContact O-N 3.33Å; E358-V361 PolarHBondContact O-N 3.34Å; V361-F364 PolarHBondContact O-N 2.82Å; V361-A365 WeakPolarHBondContact O-CB 3.38Å; V361-A365 PolarHBondContact O-N 3Å; V361-L384 HydrophobicContact CG1-CD2 4.14Å; V361-L384 HydrophobicContact CG2-CD2 4.42Å; V361-L387 HydrophobicContact CG2-CD1 3.97Å; V361-I404 HydrophobicContact CG1-CD1 4.11Å
362V95Very high87.3Confident37 Ų3751.2 Ų51.222%0.22425%0.248CC..Hα-helixtrans-59.6-47.4172.1169.40000110.3E358 F364 A365 E366E358-V362 HydrophobicContact CG-CG2 4.27Å; E358-V362 VanDerWaalsContact O-CB 3.32Å; E358-V362 WeakPolarHBondContact O-CB 3.42Å; E358-V362 WeakPolarHBondContact O-CG2 3.3Å; E358-V362 PolarHBondContact O-N 3.48Å; V362-F364 VanDerWaalsContact C-N 3.33Å; V362-F364 PolarHBondContact O-N 3.05Å; V362-A365 PolarHBondContact O-N 3.19Å; V362-A365 VanDerWaalsContact O-N 3.13Å; V362-E366 HydrophobicContact CG1-CG 4.49Å; V362-E366 WeakPolarHBondContact O-CG 3.35Å; V362-E366 PolarHBondContact O-N 3.33Å
363W93.5Very high86Confident42 Ų4252.5 Ų52.516%0.15925%0.254CS..Hα-helixtrans-58.6-44.6176.8-176.891.1000111.9F334 M340 K343 K359 A360 A365 E366 N367F334-W363 HydrophobicContact CD1-CB 4.34Å; F334-W363 HydrophobicContact CD1-CG 4.31Å; F334-W363 HydrophobicContact CE1-CB 3.73Å; F334-W363 AromaticContact CE1-CD2 3.62Å; F334-W363 HydrophobicContact CE1-CD2 3.62Å; F334-W363 AromaticContact CE1-CE3 3.99Å; F334-W363 HydrophobicContact CE1-CE3 3.99Å; F334-W363 AromaticContact CE1-CG 3.49Å; F334-W363 HydrophobicContact CE1-CG 3.49Å; F334-W363 VanDerWaalsContact CE1-CG 3.49Å; F334-W363 HydrophobicContact CZ-CB 4.34Å; F334-W363 HydrophobicContact CZ-CD2 4.04Å; F334-W363 AromaticContact CZ-CE3 3.9Å; F334-W363 HydrophobicContact CZ-CE3 3.9Å; F334-W363 HydrophobicContact CZ-CG 4.23Å; M340-W363 HydrophobicContact CE-CH2 4.34Å; M340-W363 HydrophobicContact SD-CZ3 4.48Å; K343-W363 HydrophobicContact CD-CE3 4.38Å; K343-W363 HydrophobicContact CD-CH2 3.66Å; K343-W363 HydrophobicContact CD-CZ2 4.24Å; K343-W363 HydrophobicContact CD-CZ3 3.72Å; K359-W363 WeakPolarHBondContact O-CB 3.43Å; K359-W363 PolarHBondContact O-N 3.19Å; A360-W363 WeakPolarHBondContact O-CB 3.48Å; A360-W363 PolarHBondContact O-N 3.34Å; W363-A365 VanDerWaalsContact C-N 3.34Å; W363-A365 PolarHBondContact O-N 2.82Å; W363-E366 PolarHBondContact O-N 3.06Å; W363-N367 HydrophobicContact CH2-CB 4.23Å; W363-N367 HydrophobicContact CZ2-CB 4.29Å; W363-N367 HydrophobicContact CZ3-CB 4.39Å; W363-N367 PolarHBondContact NE1-ND2 3.01Å; W363-N367 WeakPolarHBondContact O-CB 3.18Å; W363-N367 PolarHBondContact O-N 3.16Å; W363-N367 VanDerWaalsContact O-N 3.08Å; W363-N367 PolarHBondContact O-ND2 3.17Å
364F91.8Very high84.5Confident5 Ų552.2 Ų52.22%0.02225%0.253CS..Hα-helixtrans-60.5-43.7175.6-77.7-64.9000111.8F334 M340 K343 I344 L347 A360 V361 V362 E366 N367 I368 L376 L380 I404F334-F364 HydrophobicContact CZ-CE2 4.45Å; M340-F364 HydrophobicContact SD-CE1 3.75Å; K343-F364 HydrophobicContact CB-CE1 4.38Å; K343-F364 HydrophobicContact CB-CZ 3.75Å; I344-F364 HydrophobicContact CG1-CZ 4.42Å; L347-F364 HydrophobicContact CD1-CD2 4.04Å; L347-F364 HydrophobicContact CD1-CE2 3.49Å; L347-F364 VanDerWaalsContact CD1-CE2 3.49Å; L347-F364 HydrophobicContact CD1-CZ 4.25Å; L347-F364 HydrophobicContact CD2-CE2 4.42Å; L347-F364 HydrophobicContact CG-CE2 3.94Å; A360-F364 WeakPolarHBondContact O-CD2 3.43Å; A360-F364 PolarHBondContact O-N 3.41Å; V361-F364 PolarHBondContact O-N 2.82Å; V362-F364 VanDerWaalsContact C-N 3.33Å; V362-F364 PolarHBondContact O-N 3.05Å; F364-E366 VanDerWaalsContact C-N 3.31Å; F364-E366 PolarHBondContact O-N 3.47Å; F364-N367 PolarHBondContact O-N 3.46Å; F364-I368 VanDerWaalsContact O-CB 3.31Å; F364-I368 WeakPolarHBondContact O-CB 3.41Å; F364-I368 PolarHBondContact O-N 3.04Å; F364-L376 HydrophobicContact CD1-CD2 4.3Å; F364-L376 HydrophobicContact CE1-CD1 4.05Å; F364-L376 HydrophobicContact CE1-CD2 4.39Å; F364-L380 HydrophobicContact CB-CD1 4.32Å; F364-L380 HydrophobicContact CD1-CD1 3.75Å; F364-L380 HydrophobicContact CD2-CD1 4.47Å; F364-L380 HydrophobicContact CD2-CD2 4.46Å; F364-L380 HydrophobicContact CE1-CD1 4.12Å; F364-L380 HydrophobicContact CE1-CD2 4.37Å; F364-L380 HydrophobicContact CE2-CD2 4.22Å; F364-L380 HydrophobicContact CG-CD1 3.94Å; F364-L380 HydrophobicContact CZ-CD2 4.16Å; F364-I404 HydrophobicContact CB-CD1 3.78Å
365A91.6Very high83.3Confident3 Ų357.3 Ų57.33%0.02528%0.281CS..Hα-helixtrans-66.8-29.9-179.400000113.5V361 V362 W363 I368 I404V361-A365 WeakPolarHBondContact O-CB 3.38Å; V361-A365 PolarHBondContact O-N 3Å; V362-A365 PolarHBondContact O-N 3.19Å; V362-A365 VanDerWaalsContact O-N 3.13Å; W363-A365 VanDerWaalsContact C-N 3.34Å; W363-A365 PolarHBondContact O-N 2.82Å; A365-I368 WeakPolarHBondContact O-CG2 3.45Å; A365-I404 HydrophobicContact CB-CD1 4.03Å; A365-I404 HydrophobicContact CB-CG1 3.95Å
366E90.8Very high82.3Confident125 Ų12555.6 Ų55.658%0.58427%0.272SS*.Hα-helixtrans-77.6-32.2175.6-71.1174.317000112.6V362 W363 F364V362-E366 HydrophobicContact CG1-CG 4.49Å; V362-E366 WeakPolarHBondContact O-CG 3.35Å; V362-E366 PolarHBondContact O-N 3.33Å; W363-E366 PolarHBondContact O-N 3.06Å; F364-E366 VanDerWaalsContact C-N 3.31Å; F364-E366 PolarHBondContact O-N 3.47Å
367N87.5Confident81.4Confident51 Ų5155.9 Ų55.927%0.27327%0.273SS..Hα-helixtrans-97-14.6-174-71.9-86.3000113.9W363 F364 L369 N370 D371W363-N367 HydrophobicContact CH2-CB 4.23Å; W363-N367 HydrophobicContact CZ2-CB 4.29Å; W363-N367 HydrophobicContact CZ3-CB 4.39Å; W363-N367 PolarHBondContact NE1-ND2 3.01Å; W363-N367 WeakPolarHBondContact O-CB 3.18Å; W363-N367 PolarHBondContact O-N 3.16Å; W363-N367 VanDerWaalsContact O-N 3.08Å; W363-N367 PolarHBondContact O-ND2 3.17Å; F364-N367 PolarHBondContact O-N 3.46Å; N367-L369 VanDerWaalsContact C-N 3.27Å; N367-L369 PolarHBondContact O-N 3.04Å; N367-N370 WeakPolarHBondContact O-CB 3.43Å; N367-N370 PolarHBondContact O-N 2.99Å; N367-D371 PolarHBondContact O-N 3.05Å
368I81.3Confident80.6Confident7 Ų758.6 Ų58.64%0.03629%0.286CS..THydrogen-bonded Turntrans-59.9-34.1-177.7-164.3163.2000113.5F364 A365 N370 D371 T377 I404 Y407F364-I368 VanDerWaalsContact O-CB 3.31Å; F364-I368 WeakPolarHBondContact O-CB 3.41Å; F364-I368 PolarHBondContact O-N 3.04Å; A365-I368 WeakPolarHBondContact O-CG2 3.45Å; I368-N370 PolarHBondContact O-N 3.42Å; I368-D371 PolarHBondContact O-N 3.26Å; I368-T377 HydrophobicContact CD1-CG2 3.53Å; I368-T377 HydrophobicContact CG1-CG2 4.15Å; I368-I404 HydrophobicContact CD1-CB 4.09Å; I368-I404 HydrophobicContact CD1-CG1 4.06Å; I368-I404 HydrophobicContact CD1-CG2 3.59Å; I368-Y407 HydrophobicContact CD1-CD1 3.67Å; I368-Y407 HydrophobicContact CD1-CE1 4.26Å; I368-Y407 HydrophobicContact CD1-CG 4.48Å; I368-Y407 HydrophobicContact CG1-CD1 3.61Å; I368-Y407 HydrophobicContact CG1-CE1 3.73Å; I368-Y407 HydrophobicContact CG1-CG 4.49Å
369L72.6Confident79.9Confident121 Ų12162.1 Ų62.163%0.63430%0.297SS*.THydrogen-bonded Turntrans-68.6-24.7177.9-66.9175.4000112.6N367 Y407N367-L369 VanDerWaalsContact C-N 3.27Å; N367-L369 PolarHBondContact O-N 3.04Å; L369-Y407 HydrophobicContact CD2-CD2 3.74Å; L369-Y407 HydrophobicContact CD2-CE2 3.59Å
370N72.3Confident79.6Confident132 Ų13257.6 Ų57.671%0.70628%0.277SS*.THydrogen-bonded Turntrans-85.5-19.2178.4-62.7-29.3000112N367 I368N367-N370 WeakPolarHBondContact O-CB 3.43Å; N367-N370 PolarHBondContact O-N 2.99Å; I368-N370 PolarHBondContact O-N 3.42Å
371D62Low79.2Confident36 Ų3657.7 Ų57.719%0.19328%0.278CS..  trans-101.7114.7-172.5-161.7-19.9000111.3N367 I368 H373N367-D371 PolarHBondContact O-N 3.05Å; I368-D371 PolarHBondContact O-N 3.26Å; D371-H373 PolarHBondContact O-N 2.89Å; D371-H373 VanDerWaalsContact OD1-CB 3.3Å; D371-H373 WeakPolarHBondContact OD1-CB 3.33Å; D371-H373 IonicContact OD1-CD2 3.35Å; D371-H373 PolarHBondContact OD1-CD2 3.3Å; D371-H373 IonicContact OD1-CG 3.2Å; D371-H373 PolarHBondContact OD1-N 3.08Å
372K62.2Low78.7Confident177 Ų17761 Ų6177%0.7730%0.299SS*.  trans-77.54178.9-65.9-178.9179.91770113.1I374K372-I374 PolarHBondContact O-N 3.49Å
373H58.6Low78.3Confident127 Ų12761.7 Ų61.759%0.58830%0.3SS*.  trans-89.397.4-175.3-65.9-60.2000113.5D371 N375 L376D371-H373 PolarHBondContact O-N 2.89Å; D371-H373 VanDerWaalsContact OD1-CB 3.3Å; D371-H373 WeakPolarHBondContact OD1-CB 3.33Å; D371-H373 IonicContact OD1-CD2 3.35Å; D371-H373 PolarHBondContact OD1-CD2 3.3Å; D371-H373 IonicContact OD1-CG 3.2Å; D371-H373 PolarHBondContact OD1-N 3.08Å; H373-N375 PolarHBondContact O-N 3.38Å; H373-L376 WeakPolarHBondContact O-CB 3.49Å; H373-L376 PolarHBondContact O-N 3.49Å
374I59.3Low78.4Confident29 Ų2959.8 Ų59.815%0.14929%0.293CS..Hα-helixtrans-44.8-36.4164.2-79.1-176.9000113.3K372 L376 T377 H378 Y411 Q415K372-I374 PolarHBondContact O-N 3.49Å; I374-L376 PolarHBondContact O-N 3.32Å; I374-L376 VanDerWaalsContact O-N 3.11Å; I374-T377 PolarHBondContact O-N 2.9Å; I374-T377 VanDerWaalsContact O-N 3.11Å; I374-T377 PolarHBondContact O-OG1 2.92Å; I374-H378 WeakPolarHBondContact CG2-CD2 3.01Å; I374-H378 WeakPolarHBondContact CG2-NE2 3.4Å; I374-H378 PolarHBondContact O-CD2 3.01Å; I374-H378 PolarHBondContact O-N 3.47Å; I374-H378 VanDerWaalsContact O-N 3.09Å; I374-Y411 HydrophobicContact CD1-CD1 3.49Å; I374-Y411 VanDerWaalsContact CD1-CD1 3.49Å; I374-Y411 HydrophobicContact CD1-CE1 3.35Å; I374-Y411 HydrophobicContact CG1-CD1 3.25Å; I374-Y411 HydrophobicContact CG1-CE1 3.15Å; I374-Q415 HydrophobicContact CD1-CB 4.36Å; I374-Q415 HydrophobicContact CD1-CG 3.75Å; I374-Q415 VanDerWaalsContact CD1-NE2 3.31Å
375N68Low78.5Confident109 Ų10959.9 Ų59.958%0.58329%0.293SS*.Hα-helixtrans-60.3-27.5-175.9-71.8-18.9000112.4H373 R379H373-N375 PolarHBondContact O-N 3.38Å; N375-R379 VanDerWaalsContact O-CG 3.23Å; N375-R379 WeakPolarHBondContact O-CG 3.29Å; N375-R379 PolarHBondContact O-N 3.48Å
376L73.3Confident78.5Confident14 Ų1464.5 Ų64.57%0.07332%0.318CS..Hα-helixtrans-69.1-47.9176.2-178.758.3000111.1M340 I344 F364 H373 I374 H378 R379 L380M340-L376 HydrophobicContact CE-CD2 3.71Å; M340-L376 HydrophobicContact CG-CD1 3.68Å; M340-L376 HydrophobicContact CG-CD2 4.5Å; M340-L376 HydrophobicContact SD-CD1 3.58Å; M340-L376 VanDerWaalsContact SD-CD1 3.58Å; M340-L376 HydrophobicContact SD-CD2 3.73Å; M340-L376 HydrophobicContact SD-CG 4.3Å; I344-L376 HydrophobicContact CD1-CD1 3.79Å; I344-L376 HydrophobicContact CG1-CD1 4.14Å; F364-L376 HydrophobicContact CD1-CD2 4.3Å; F364-L376 HydrophobicContact CE1-CD1 4.05Å; F364-L376 HydrophobicContact CE1-CD2 4.39Å; H373-L376 WeakPolarHBondContact O-CB 3.49Å; H373-L376 PolarHBondContact O-N 3.49Å; I374-L376 PolarHBondContact O-N 3.32Å; I374-L376 VanDerWaalsContact O-N 3.11Å; L376-H378 VanDerWaalsContact C-N 3.33Å; L376-H378 PolarHBondContact O-N 3.03Å; L376-R379 PolarHBondContact O-N 3.44Å; L376-L380 HydrophobicContact CD1-CD1 3.93Å; L376-L380 HydrophobicContact CD1-CG 4.08Å; L376-L380 HydrophobicContact CG-CD1 3.89Å; L376-L380 HydrophobicContact CG-CG 4.41Å; L376-L380 WeakPolarHBondContact O-CG 3.42Å; L376-L380 PolarHBondContact O-N 2.95Å
377T74.4Confident78.6Confident6 Ų658.8 Ų58.84%0.03729%0.291CS..Hα-helixtrans-64.1-39.7-179.2560000112.4I368 I374 R379 L380 S381 S408I368-T377 HydrophobicContact CD1-CG2 3.53Å; I368-T377 HydrophobicContact CG1-CG2 4.15Å; I374-T377 PolarHBondContact O-N 2.9Å; I374-T377 VanDerWaalsContact O-N 3.11Å; I374-T377 PolarHBondContact O-OG1 2.92Å; T377-R379 VanDerWaalsContact C-N 3.3Å; T377-R379 PolarHBondContact O-N 3.43Å; T377-L380 PolarHBondContact O-N 3.42Å; T377-S381 PolarHBondContact O-N 2.94Å; T377-S381 PolarHBondContact O-OG 2.97Å; T377-S408 WeakPolarHBondContact CB-OG 3.24Å; T377-S408 WeakPolarHBondContact CG2-OG 3.44Å
378H79.6Confident79Confident56 Ų5656.4 Ų56.426%0.25928%0.278SS..Hα-helixtrans-60.2-39.9175.3-78.9-122.8000112.6I374 L376 E412 Y452I374-H378 WeakPolarHBondContact CG2-CD2 3.01Å; I374-H378 WeakPolarHBondContact CG2-NE2 3.4Å; I374-H378 PolarHBondContact O-CD2 3.01Å; I374-H378 PolarHBondContact O-N 3.47Å; I374-H378 VanDerWaalsContact O-N 3.09Å; L376-H378 VanDerWaalsContact C-N 3.33Å; L376-H378 PolarHBondContact O-N 3.03Å; H378-E412 IonicContact CE1-OE1 2.93Å; H378-Y452 VanDerWaalsContact CA-CE2 3.47Å; H378-Y452 HydrophobicContact CB-CD2 4.11Å; H378-Y452 HydrophobicContact CB-CE2 4.18Å; H378-Y452 AromaticContact CD2-CD1 3.94Å; H378-Y452 AromaticContact CD2-CE1 3.83Å; H378-Y452 AromaticContact CD2-CZ 3.92Å; H378-Y452 WeakPolarHBondContact CE1-CB 3.41Å; H378-Y452 AromaticContact CE1-CD1 3.27Å; H378-Y452 WeakPolarHBondContact CE1-CD1 3.49Å; H378-Y452 AromaticContact CE1-CD2 3.99Å; H378-Y452 AromaticContact CE1-CE1 3.93Å; H378-Y452 AromaticContact CE1-CG 3.26Å; H378-Y452 AromaticContact CG-CD2 3.73Å; H378-Y452 AromaticContact CG-CE2 3.94Å; H378-Y452 AromaticContact CG-CG 3.81Å; H378-Y452 WeakPolarHBondContact ND1-CB 3.34Å; H378-Y452 AromaticContact ND1-CD1 3.73Å; H378-Y452 AromaticContact ND1-CD2 3.56Å; H378-Y452 AromaticContact ND1-CG 3.25Å; H378-Y452 VanDerWaalsContact ND1-CG 3.25Å; H378-Y452 AromaticContact NE2-CD1 3.41Å; H378-Y452 WeakPolarHBondContact NE2-CD1 3.31Å; H378-Y452 AromaticContact NE2-CE1 3.61Å; H378-Y452 AromaticContact NE2-CG 3.8Å
379R81.1Confident79.5Confident130 Ų13063.4 Ų63.449%0.49131%0.305SS..Hα-helixtrans-72.9-36.7177.8-72.4174.9-178.4-171.92.4112.6E341 I344 N375 L376 T377 H383E341-R379 IonicContact OE1-NH1 3.32Å; E341-R379 PolarHBondContact OE1-NH1 3.45Å; I344-R379 HydrophobicContact CD1-CB 4.34Å; N375-R379 VanDerWaalsContact O-CG 3.23Å; N375-R379 WeakPolarHBondContact O-CG 3.29Å; N375-R379 PolarHBondContact O-N 3.48Å; L376-R379 PolarHBondContact O-N 3.44Å; T377-R379 VanDerWaalsContact C-N 3.3Å; T377-R379 PolarHBondContact O-N 3.43Å; R379-H383 PolarHBondContact O-CD2 2.96Å
380L86.6Confident80.3Confident1 Ų159.7 Ų59.71%0.00529%0.286CS..Hα-helixtrans-76.5-36.4-176.9-68.4175.9000113.5I344 L347 F364 L376 T377 H383 L384I344-L380 HydrophobicContact CG1-CD2 4.29Å; L347-L380 HydrophobicContact CD1-CD2 3.48Å; L347-L380 VanDerWaalsContact CD1-CD2 3.48Å; F364-L380 HydrophobicContact CB-CD1 4.32Å; F364-L380 HydrophobicContact CD1-CD1 3.75Å; F364-L380 HydrophobicContact CD2-CD1 4.47Å; F364-L380 HydrophobicContact CD2-CD2 4.46Å; F364-L380 HydrophobicContact CE1-CD1 4.12Å; F364-L380 HydrophobicContact CE1-CD2 4.37Å; F364-L380 HydrophobicContact CE2-CD2 4.22Å; F364-L380 HydrophobicContact CG-CD1 3.94Å; F364-L380 HydrophobicContact CZ-CD2 4.16Å; L376-L380 HydrophobicContact CD1-CD1 3.93Å; L376-L380 HydrophobicContact CD1-CG 4.08Å; L376-L380 HydrophobicContact CG-CD1 3.89Å; L376-L380 HydrophobicContact CG-CG 4.41Å; L376-L380 WeakPolarHBondContact O-CG 3.42Å; L376-L380 PolarHBondContact O-N 2.95Å; T377-L380 PolarHBondContact O-N 3.42Å; L380-H383 WeakPolarHBondContact O-CA 3.34Å; L380-H383 WeakPolarHBondContact O-CB 3.41Å; L380-H383 PolarHBondContact O-N 3.23Å; L380-L384 HydrophobicContact CB-CD1 4.34Å; L380-L384 HydrophobicContact CB-CG 4.41Å; L380-L384 WeakPolarHBondContact O-CG 3.38Å; L380-L384 PolarHBondContact O-N 3.41Å
381S86.7Confident81.3Confident2 Ų253.4 Ų53.41%0.01425%0.252CS..Hα-helixtrans-56.7-43.3-164.7-57.60000115.8T377 H383 L384 F385 Y452T377-S381 PolarHBondContact O-N 2.94Å; T377-S381 PolarHBondContact O-OG 2.97Å; S381-H383 VanDerWaalsContact C-N 3.27Å; S381-H383 PolarHBondContact O-N 3.18Å; S381-L384 PolarHBondContact O-N 3Å; S381-F385 VanDerWaalsContact O-CD2 3.22Å; S381-F385 WeakPolarHBondContact O-CD2 3.35Å; S381-F385 PolarHBondContact O-N 3.39Å; S381-Y452 WeakPolarHBondContact OG-CE2 3.33Å; S381-Y452 PolarHBondContact OG-OH 2.9Å
382P84Confident82.6Confident70 Ų7053.3 Ų53.346%0.45525%0.251SS..Hα-helixtrans-57.8-43175.8-23.434.8000111.9L384 F385 D386P382-L384 VanDerWaalsContact C-N 3.35Å; P382-L384 PolarHBondContact O-N 3.03Å; P382-F385 PolarHBondContact O-N 2.92Å; P382-D386 PolarHBondContact O-N 2.95Å
383H88.2Confident83.8Confident53 Ų5346.3 Ų46.325%0.24523%0.225CC..Hα-helixtrans-65.8-37.5178.9-54.7-48000112H348 R379 L380 S381 F385 D386 L387H348-H383 AromaticContact CE1-CE1 3.13Å; H348-H383 PolarHBondContact CE1-CE1 3.32Å; H348-H383 AromaticContact CE1-ND1 3.95Å; H348-H383 AromaticContact CE1-NE2 3.16Å; H348-H383 PolarHBondContact CE1-NE2 3.24Å; H348-H383 AromaticContact ND1-CE1 3.85Å; H348-H383 AromaticContact NE2-CE1 3.89Å; H348-H383 AromaticContact NE2-NE2 3.45Å; H348-H383 PolarHBondContact NE2-NE2 2.97Å; R379-H383 PolarHBondContact O-CD2 2.96Å; L380-H383 WeakPolarHBondContact O-CA 3.34Å; L380-H383 WeakPolarHBondContact O-CB 3.41Å; L380-H383 PolarHBondContact O-N 3.23Å; S381-H383 VanDerWaalsContact C-N 3.27Å; S381-H383 PolarHBondContact O-N 3.18Å; H383-F385 VanDerWaalsContact C-N 3.31Å; H383-F385 PolarHBondContact O-N 3.44Å; H383-D386 PolarHBondContact O-N 2.69Å; H383-L387 WeakPolarHBondContact O-CB 3.44Å; H383-L387 WeakPolarHBondContact O-CG 3.45Å; H383-L387 PolarHBondContact O-N 3.41Å
384L93.8Very high85.5Confident2 Ų240.7 Ų40.71%0.0120%0.2CC..Hα-helixtrans-61.3-39-179.7-64.4178.6000112.4V361 L380 S381 P382 L387 M388 I404 L405V361-L384 HydrophobicContact CG1-CD2 4.14Å; V361-L384 HydrophobicContact CG2-CD2 4.42Å; L380-L384 HydrophobicContact CB-CD1 4.34Å; L380-L384 HydrophobicContact CB-CG 4.41Å; L380-L384 WeakPolarHBondContact O-CG 3.38Å; L380-L384 PolarHBondContact O-N 3.41Å; S381-L384 PolarHBondContact O-N 3Å; P382-L384 VanDerWaalsContact C-N 3.35Å; P382-L384 PolarHBondContact O-N 3.03Å; L384-L387 PolarHBondContact O-N 3.2Å; L384-M388 VanDerWaalsContact O-CB 3.26Å; L384-M388 WeakPolarHBondContact O-CB 3.48Å; L384-M388 WeakPolarHBondContact O-CG 3.41Å; L384-M388 PolarHBondContact O-N 3.23Å; L384-I404 HydrophobicContact CD1-CB 3.79Å; L384-I404 HydrophobicContact CD1-CD1 4.3Å; L384-I404 HydrophobicContact CD1-CG2 3.41Å; L384-I404 VanDerWaalsContact CD1-CG2 3.41Å; L384-I404 HydrophobicContact CD2-CD1 4.41Å; L384-L405 HydrophobicContact CB-CD1 4.41Å; L384-L405 HydrophobicContact CB-CD2 4.39Å; L384-L405 HydrophobicContact CB-CG 4.39Å; L384-L405 HydrophobicContact CD1-CD2 4.08Å; L384-L405 HydrophobicContact CD1-CG 4Å
385F93.9Very high87.3Confident7 Ų741.8 Ų41.83%0.03121%0.206CC..Hα-helixtrans-65.1-43.7174.8-69.5-68.1000111.9S381 P382 H383 L387 M388 Y389 L405 I456 N461 L464 V465 F485S381-F385 VanDerWaalsContact O-CD2 3.22Å; S381-F385 WeakPolarHBondContact O-CD2 3.35Å; S381-F385 PolarHBondContact O-N 3.39Å; P382-F385 PolarHBondContact O-N 2.92Å; H383-F385 VanDerWaalsContact C-N 3.31Å; H383-F385 PolarHBondContact O-N 3.44Å; F385-L387 PolarHBondContact O-N 2.8Å; F385-M388 PolarHBondContact O-N 3.47Å; F385-Y389 WeakPolarHBondContact O-CB 3.32Å; F385-Y389 PolarHBondContact O-N 3.15Å; F385-L405 HydrophobicContact CD1-CD1 4.32Å; F385-L405 HydrophobicContact CE1-CD1 3.77Å; F385-L405 HydrophobicContact CE2-CD1 4.32Å; F385-L405 HydrophobicContact CE2-CD2 3.87Å; F385-L405 HydrophobicContact CZ-CD1 3.78Å; F385-L405 HydrophobicContact CZ-CD2 3.95Å; F385-I456 HydrophobicContact CE2-CG1 4.35Å; F385-I456 HydrophobicContact CZ-CG2 4.35Å; F385-N461 HydrophobicContact CD1-CB 3.89Å; F385-N461 HydrophobicContact CD2-CB 4.43Å; F385-N461 HydrophobicContact CE1-CB 3.62Å; F385-N461 HydrophobicContact CE2-CB 4.19Å; F385-N461 WeakPolarHBondContact CE2-ND2 3.47Å; F385-N461 HydrophobicContact CG-CB 4.29Å; F385-N461 HydrophobicContact CZ-CB 3.78Å; F385-L464 HydrophobicContact CB-CD2 4.28Å; F385-L464 HydrophobicContact CD1-CD2 4.27Å; F385-L464 WeakPolarHBondContact O-CD2 3.02Å; F385-V465 HydrophobicContact CE1-CG2 4.16Å; F385-F485 HydrophobicContact CZ-CE2 4.34Å; F385-F485 HydrophobicContact CZ-CZ 4.3Å
386D92Very high88.6Confident100 Ų10038.7 Ų38.754%0.53519%0.192SC..Hα-helixtrans-63.2-42.3177.3-64.8-29000111.8P382 H383 Y389 L390P382-D386 PolarHBondContact O-N 2.95Å; H383-D386 PolarHBondContact O-N 2.69Å; D386-Y389 PolarHBondContact O-N 3.31Å; D386-L390 WeakPolarHBondContact O-CB 3.38Å; D386-L390 PolarHBondContact O-N 2.72Å
387L94.2Very high89.7Confident5 Ų538 Ų383%0.02619%0.189CC..Hα-helixtrans-66.9-43.4177.5-68177.3000111.7L347 W351 I357 V361 H383 L384 F385 Y389 L390 H391L347-L387 HydrophobicContact CD2-CD1 4.36Å; W351-L387 HydrophobicContact CB-CD2 3.96Å; I357-L387 HydrophobicContact CD1-CD2 4.33Å; I357-L387 HydrophobicContact CG1-CD2 4.18Å; I357-L387 HydrophobicContact CG2-CD1 3.72Å; I357-L387 HydrophobicContact CG2-CD2 3.86Å; I357-L387 HydrophobicContact CG2-CG 4.22Å; V361-L387 HydrophobicContact CG2-CD1 3.97Å; H383-L387 WeakPolarHBondContact O-CB 3.44Å; H383-L387 WeakPolarHBondContact O-CG 3.45Å; H383-L387 PolarHBondContact O-N 3.41Å; L384-L387 PolarHBondContact O-N 3.2Å; F385-L387 PolarHBondContact O-N 2.8Å; L387-Y389 VanDerWaalsContact C-N 3.29Å; L387-Y389 PolarHBondContact O-N 2.94Å; L387-L390 PolarHBondContact O-N 3.13Å; L387-H391 WeakPolarHBondContact O-CB 3.49Å; L387-H391 PolarHBondContact O-CD2 3.38Å; L387-H391 PolarHBondContact O-N 2.97Å
388M95Very high90.8Very high0 Ų037.7 Ų37.70%019%0.187CC..Hα-helixtrans-61.4-39.9173.9-77.3174.650.600111.4L384 F385 Q392 I398 S401 L402 L405 V465 I468L384-M388 VanDerWaalsContact O-CB 3.26Å; L384-M388 WeakPolarHBondContact O-CB 3.48Å; L384-M388 WeakPolarHBondContact O-CG 3.41Å; L384-M388 PolarHBondContact O-N 3.23Å; F385-M388 PolarHBondContact O-N 3.47Å; M388-Q392 WeakPolarHBondContact O-CA 3.46Å; M388-Q392 WeakPolarHBondContact O-CG 3.45Å; M388-Q392 PolarHBondContact O-N 3.05Å; M388-I398 HydrophobicContact CB-CD1 3.81Å; M388-I398 HydrophobicContact CG-CD1 3.73Å; M388-S401 WeakPolarHBondContact SD-CB 2.99Å; M388-L402 HydrophobicContact CE-CD2 3.82Å; M388-L402 HydrophobicContact CE-CG 4.16Å; M388-L402 HydrophobicContact SD-CD2 4.37Å; M388-L402 HydrophobicContact SD-CG 4.44Å; M388-L405 HydrophobicContact SD-CD1 3.99Å; M388-V465 HydrophobicContact CE-CG2 4.17Å; M388-I468 HydrophobicContact CB-CD1 3.89Å; M388-I468 HydrophobicContact CE-CD1 3.35Å
389Y92.1Very high91.7Very high154 Ų15436.3 Ų36.360%0.60418%0.183SC*.Hα-helixtrans-65.8-42.4176.9175.9-100.6000112.5F385 D386 L387 Q392 L464F385-Y389 WeakPolarHBondContact O-CB 3.32Å; F385-Y389 PolarHBondContact O-N 3.15Å; D386-Y389 PolarHBondContact O-N 3.31Å; L387-Y389 VanDerWaalsContact C-N 3.29Å; L387-Y389 PolarHBondContact O-N 2.94Å; Y389-Q392 VanDerWaalsContact O-CG 3.31Å; Y389-Q392 WeakPolarHBondContact O-CG 3.41Å; Y389-Q392 PolarHBondContact O-NE2 3.11Å; Y389-L464 HydrophobicContact CD2-CD1 4Å
390L89.4Confident92.4Very high43 Ų4330.4 Ų30.423%0.22516%0.161CC..Hα-helixtrans-75.3-41.3-179.1-178.864.4000112.7R324 W351 D386 L387R324-L390 PolarHBondContact NH2-O 3.11Å; W351-L390 HydrophobicContact CE3-CD2 3.57Å; W351-L390 HydrophobicContact CZ3-CD2 3.6Å; D386-L390 WeakPolarHBondContact O-CB 3.38Å; D386-L390 PolarHBondContact O-N 2.72Å; L387-L390 PolarHBondContact O-N 3.13Å
391H92.3Very high92.8Very high0 Ų030.4 Ų30.40%016%0.161CC..THydrogen-bonded Turntrans-10937.2-171.1-54.9-65.6000112.4R324 W351 E354 L387 A393 N394 I397R324-H391 PolarHBondContact NE-ND1 3.22Å; W351-H391 PolarHBondContact O-NE2 3.15Å; E354-H391 HydrophobicContact CG-CB 4.42Å; E354-H391 IonicContact OE2-ND1 3.39Å; L387-H391 WeakPolarHBondContact O-CB 3.49Å; L387-H391 PolarHBondContact O-CD2 3.38Å; L387-H391 PolarHBondContact O-N 2.97Å; H391-A393 PolarHBondContact O-N 3.39Å; H391-N394 HydrophobicContact CB-CB 4.47Å; H391-N394 PolarHBondContact O-N 3.34Å; H391-I397 HydrophobicContact CB-CD1 3.69Å; H391-I397 HydrophobicContact CB-CG2 4.35Å
392Q90.4Very high93.3Very high35 Ų3530.3 Ų30.316%0.16416%0.161CC..THydrogen-bonded Turntrans-53.7-25.4-176.4-68.5174.521.900114.5M388 Y389 I468 K471 H472M388-Q392 WeakPolarHBondContact O-CA 3.46Å; M388-Q392 WeakPolarHBondContact O-CG 3.45Å; M388-Q392 PolarHBondContact O-N 3.05Å; Y389-Q392 VanDerWaalsContact O-CG 3.31Å; Y389-Q392 WeakPolarHBondContact O-CG 3.41Å; Y389-Q392 PolarHBondContact O-NE2 3.11Å; Q392-I468 HydrophobicContact CG-CG1 4.34Å; Q392-K471 HydrophobicContact CB-CD 4.37Å; Q392-H472 PolarHBondContact O-NE2 3.38Å
393A87.9Confident93.8Very high29 Ų2932.4 Ų32.424%0.2416%0.159CC..THydrogen-bonded Turntrans-84.3-10-178.600000113.7R321 H391R321-A393 VanDerWaalsContact NH1-CB 3.33Å; R321-A393 PolarHBondContact NH2-O 3.07Å; H391-A393 PolarHBondContact O-N 3.39Å
394N93.4Very high94Very high10 Ų1029.9 Ų29.95%0.05315%0.148CC..  trans-95.1104.1178.4-169.8-51.8000110.6E354 E358 H391 S396 I397 I398E354-N394 HydrophobicContact CG-CB 4.16Å; E354-N394 WeakPolarHBondContact OE1-CB 3.47Å; E354-N394 PolarHBondContact OE1-ND2 2.72Å; E354-N394 VanDerWaalsContact OE1-ND2 3.15Å; E358-N394 PolarHBondContact OE2-ND2 3.26Å; H391-N394 HydrophobicContact CB-CB 4.47Å; H391-N394 PolarHBondContact O-N 3.34Å; N394-S396 VanDerWaalsContact C-N 3.29Å; N394-S396 PolarHBondContact O-N 2.87Å; N394-S396 WeakPolarHBondContact OD1-CB 3.31Å; N394-S396 PolarHBondContact OD1-N 2.92Å; N394-I397 HydrophobicContact CB-CB 4.17Å; N394-I397 HydrophobicContact CB-CD1 3.88Å; N394-I397 HydrophobicContact CB-CG1 4.11Å; N394-I397 PolarHBondContact O-N 3.31Å; N394-I397 PolarHBondContact OD1-N 2.78Å; N394-I398 WeakPolarHBondContact O-CG1 3.49Å; N394-I398 PolarHBondContact O-N 3.45Å
395L96Very high93.9Very high52 Ų5229.8 Ų29.827%0.27215%0.147SC..Hα-helixtrans-63.4-33.1-177.3-66.9173.1000112.9I398 T399 Y475 V478L395-I398 PolarHBondContact O-N 3.38Å; L395-T399 WeakPolarHBondContact O-CB 3.01Å; L395-T399 VanDerWaalsContact O-CG2 3.28Å; L395-T399 WeakPolarHBondContact O-CG2 3.25Å; L395-T399 PolarHBondContact O-N 3.3Å; L395-T399 PolarHBondContact O-OG1 3.47Å; L395-Y475 HydrophobicContact CD1-CD1 3.71Å; L395-Y475 HydrophobicContact CD1-CE1 3.4Å; L395-Y475 HydrophobicContact CD1-CE2 4.47Å; L395-Y475 HydrophobicContact CD1-CG 4.37Å; L395-Y475 HydrophobicContact CD2-CD1 4.46Å; L395-Y475 HydrophobicContact CD2-CD2 4.44Å; L395-Y475 HydrophobicContact CD2-CG 4.34Å; L395-V478 HydrophobicContact CD2-CG2 3.96Å
396S96.8Very high93.8Very high43 Ų4329.6 Ų29.630%0.30115%0.147SC..Hα-helixtrans-63.5-47.1177.6-52.60000110.5E358 N394 T399 S400E358-S396 WeakPolarHBondContact OE1-CB 3.32Å; E358-S396 PolarHBondContact OE1-OG 3.28Å; N394-S396 VanDerWaalsContact C-N 3.29Å; N394-S396 PolarHBondContact O-N 2.87Å; N394-S396 WeakPolarHBondContact OD1-CB 3.31Å; N394-S396 PolarHBondContact OD1-N 2.92Å; S396-T399 PolarHBondContact O-OG1 3.13Å; S396-S400 WeakPolarHBondContact O-CB 3.32Å; S396-S400 PolarHBondContact O-N 2.96Å; S396-S400 PolarHBondContact O-OG 2.92Å
397I96.7Very high93.6Very high0 Ų027.2 Ų27.20%013%0.131CC..Hα-helixtrans-61.4-48176.3-66.2173.7000110.3E354 I357 E358 H391 N394 S401E354-I397 HydrophobicContact CG-CD1 3.97Å; I357-I397 HydrophobicContact CB-CD1 4.4Å; I357-I397 HydrophobicContact CG2-CD1 4.01Å; I357-I397 HydrophobicContact CG2-CG1 4.43Å; E358-I397 HydrophobicContact CB-CD1 4.16Å; E358-I397 HydrophobicContact CB-CG1 3.92Å; E358-I397 HydrophobicContact CG-CG1 4.47Å; H391-I397 HydrophobicContact CB-CD1 3.69Å; H391-I397 HydrophobicContact CB-CG2 4.35Å; N394-I397 HydrophobicContact CB-CB 4.17Å; N394-I397 HydrophobicContact CB-CD1 3.88Å; N394-I397 HydrophobicContact CB-CG1 4.11Å; N394-I397 PolarHBondContact O-N 3.31Å; N394-I397 PolarHBondContact OD1-N 2.78Å; I397-S401 WeakPolarHBondContact O-CB 3.28Å; I397-S401 PolarHBondContact O-N 3.5Å; I397-S401 PolarHBondContact O-OG 2.88Å
398I97.6Very high93.2Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-59.8-54.1-179.6-68.4-49.5000111.7M388 N394 L395 S400 S401 L402 I468 V478M388-I398 HydrophobicContact CB-CD1 3.81Å; M388-I398 HydrophobicContact CG-CD1 3.73Å; N394-I398 WeakPolarHBondContact O-CG1 3.49Å; N394-I398 PolarHBondContact O-N 3.45Å; L395-I398 PolarHBondContact O-N 3.38Å; I398-S400 PolarHBondContact O-N 3.14Å; I398-S401 PolarHBondContact O-N 3.38Å; I398-L402 HydrophobicContact CG2-CD1 3.88Å; I398-L402 HydrophobicContact CG2-CG 4.5Å; I398-L402 WeakPolarHBondContact O-CB 3.3Å; I398-L402 WeakPolarHBondContact O-CG 3.3Å; I398-L402 PolarHBondContact O-N 2.99Å; I398-I468 HydrophobicContact CD1-CD1 3.86Å; I398-I468 HydrophobicContact CD1-CG1 4.44Å; I398-I468 HydrophobicContact CD1-CG2 4.1Å; I398-I468 HydrophobicContact CG1-CG2 4.19Å; I398-I468 HydrophobicContact CG2-CG2 3.53Å; I398-V478 HydrophobicContact CG2-CG1 4.25Å; I398-V478 HydrophobicContact CG2-CG2 4.43Å
399T97.5Very high92.8Very high27 Ų2727 Ų2717%0.16613%0.13CC..Hα-helixtrans-65.9-40-175.553.40000111.9L395 S396 R403 V478 L481L395-T399 WeakPolarHBondContact O-CB 3.01Å; L395-T399 VanDerWaalsContact O-CG2 3.28Å; L395-T399 WeakPolarHBondContact O-CG2 3.25Å; L395-T399 PolarHBondContact O-N 3.3Å; L395-T399 PolarHBondContact O-OG1 3.47Å; S396-T399 PolarHBondContact O-OG1 3.13Å; T399-R403 WeakPolarHBondContact O-CB 3.4Å; T399-R403 PolarHBondContact O-N 3.42Å; T399-V478 HydrophobicContact CG2-CG2 4.06Å; T399-L481 HydrophobicContact CG2-CD1 3.96Å; T399-L481 WeakPolarHBondContact O-CD1 3.17Å
400S96.1Very high92.3Very high6 Ų622.8 Ų22.84%0.04212%0.115CC..Hα-helixtrans-67.6-41.5177.5-56.50000111.5S396 I398 R403 I404S396-S400 WeakPolarHBondContact O-CB 3.32Å; S396-S400 PolarHBondContact O-N 2.96Å; S396-S400 PolarHBondContact O-OG 2.92Å; I398-S400 PolarHBondContact O-N 3.14Å; S400-R403 PolarHBondContact O-N 3.01Å; S400-I404 WeakPolarHBondContact O-CD1 3.22Å; S400-I404 VanDerWaalsContact O-CG1 3.29Å; S400-I404 WeakPolarHBondContact O-CG1 3.4Å; S400-I404 PolarHBondContact O-N 2.68Å
401S96Very high91.9Very high0 Ų023.7 Ų23.70%012%0.116CC..Hα-helixtrans-64.1-46.7176.1-590000111.9M388 I397 I398 R403 I404 L405M388-S401 WeakPolarHBondContact SD-CB 2.99Å; I397-S401 WeakPolarHBondContact O-CB 3.28Å; I397-S401 PolarHBondContact O-N 3.5Å; I397-S401 PolarHBondContact O-OG 2.88Å; I398-S401 PolarHBondContact O-N 3.38Å; S401-R403 VanDerWaalsContact C-N 3.33Å; S401-R403 PolarHBondContact O-N 2.97Å; S401-I404 PolarHBondContact O-N 3.11Å; S401-L405 WeakPolarHBondContact O-CB 3.33Å; S401-L405 VanDerWaalsContact O-CG 3.3Å; S401-L405 WeakPolarHBondContact O-CG 3.3Å; S401-L405 PolarHBondContact O-N 3.45Å
402L96.2Very high91.3Very high1 Ų124.5 Ų24.51%0.00512%0.12CC..Hα-helixtrans-61.9-40.5177.6-73.1172.4000111.9M388 I398 L405 A406 V465 L481M388-L402 HydrophobicContact CE-CD2 3.82Å; M388-L402 HydrophobicContact CE-CG 4.16Å; M388-L402 HydrophobicContact SD-CD2 4.37Å; M388-L402 HydrophobicContact SD-CG 4.44Å; I398-L402 HydrophobicContact CG2-CD1 3.88Å; I398-L402 HydrophobicContact CG2-CG 4.5Å; I398-L402 WeakPolarHBondContact O-CB 3.3Å; I398-L402 WeakPolarHBondContact O-CG 3.3Å; I398-L402 PolarHBondContact O-N 2.99Å; L402-L405 PolarHBondContact O-N 2.88Å; L402-A406 WeakPolarHBondContact O-CB 3.37Å; L402-A406 PolarHBondContact O-N 3.28Å; L402-V465 HydrophobicContact CD2-CG1 3.89Å; L402-V465 HydrophobicContact CD2-CG2 4.07Å; L402-L481 HydrophobicContact CB-CB 3.88Å; L402-L481 HydrophobicContact CD1-CB 4.12Å
403R93.6Very high90.5Very high114 Ų11422.9 Ų22.943%0.4311%0.112SC..Hα-helixtrans-60.6-47175.5-175.2-179.2-65145.71.2111.5T399 S400 S401 Y407 L481T399-R403 WeakPolarHBondContact O-CB 3.4Å; T399-R403 PolarHBondContact O-N 3.42Å; S400-R403 PolarHBondContact O-N 3.01Å; S401-R403 VanDerWaalsContact C-N 3.33Å; S401-R403 PolarHBondContact O-N 2.97Å; R403-Y407 WeakPolarHBondContact O-CB 3.32Å; R403-Y407 PolarHBondContact O-N 2.97Å; R403-Y407 VanDerWaalsContact O-N 3.08Å; R403-L481 HydrophobicContact CB-CD2 4.15Å
404I92.4Very high89.9Confident0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-60.1-49.5176.6-67.4161.7000110V361 F364 A365 I368 L384 S400 S401 Y407 S408V361-I404 HydrophobicContact CG1-CD1 4.11Å; F364-I404 HydrophobicContact CB-CD1 3.78Å; A365-I404 HydrophobicContact CB-CD1 4.03Å; A365-I404 HydrophobicContact CB-CG1 3.95Å; I368-I404 HydrophobicContact CD1-CB 4.09Å; I368-I404 HydrophobicContact CD1-CG1 4.06Å; I368-I404 HydrophobicContact CD1-CG2 3.59Å; L384-I404 HydrophobicContact CD1-CB 3.79Å; L384-I404 HydrophobicContact CD1-CD1 4.3Å; L384-I404 HydrophobicContact CD1-CG2 3.41Å; L384-I404 VanDerWaalsContact CD1-CG2 3.41Å; L384-I404 HydrophobicContact CD2-CD1 4.41Å; S400-I404 WeakPolarHBondContact O-CD1 3.22Å; S400-I404 VanDerWaalsContact O-CG1 3.29Å; S400-I404 WeakPolarHBondContact O-CG1 3.4Å; S400-I404 PolarHBondContact O-N 2.68Å; S401-I404 PolarHBondContact O-N 3.11Å; I404-Y407 PolarHBondContact O-N 3.41Å; I404-S408 WeakPolarHBondContact O-CB 3.38Å; I404-S408 PolarHBondContact O-N 3.31Å; I404-S408 PolarHBondContact O-OG 3.21Å
405L92.9Very high88.7Confident0 Ų030 Ų300%014%0.143CC..Hα-helixtrans-61.6-46.4-178.4-71.5170.3000112.4L384 F385 M388 S401 L402 S408 I409 F485L384-L405 HydrophobicContact CB-CD1 4.41Å; L384-L405 HydrophobicContact CB-CD2 4.39Å; L384-L405 HydrophobicContact CB-CG 4.39Å; L384-L405 HydrophobicContact CD1-CD2 4.08Å; L384-L405 HydrophobicContact CD1-CG 4Å; F385-L405 HydrophobicContact CD1-CD1 4.32Å; F385-L405 HydrophobicContact CE1-CD1 3.77Å; F385-L405 HydrophobicContact CE2-CD1 4.32Å; F385-L405 HydrophobicContact CE2-CD2 3.87Å; F385-L405 HydrophobicContact CZ-CD1 3.78Å; F385-L405 HydrophobicContact CZ-CD2 3.95Å; M388-L405 HydrophobicContact SD-CD1 3.99Å; S401-L405 WeakPolarHBondContact O-CB 3.33Å; S401-L405 VanDerWaalsContact O-CG 3.3Å; S401-L405 WeakPolarHBondContact O-CG 3.3Å; S401-L405 PolarHBondContact O-N 3.45Å; L402-L405 PolarHBondContact O-N 2.88Å; L405-S408 WeakPolarHBondContact O-CB 3.18Å; L405-S408 PolarHBondContact O-N 3.48Å; L405-I409 WeakPolarHBondContact O-CD1 3.42Å; L405-I409 WeakPolarHBondContact O-CG1 3.48Å; L405-I409 PolarHBondContact O-N 2.8Å; L405-I409 VanDerWaalsContact O-N 3.15Å; L405-F485 HydrophobicContact CB-CD2 3.9Å; L405-F485 HydrophobicContact CB-CE2 4.08Å
406A90.8Very high87.3Confident2 Ų229 Ų292%0.01714%0.141CC..Hα-helixtrans-59.8-50.1178.500000111.3L402 S408 I409 E410 E484 F485L402-A406 WeakPolarHBondContact O-CB 3.37Å; L402-A406 PolarHBondContact O-N 3.28Å; A406-S408 VanDerWaalsContact C-N 3.29Å; A406-S408 PolarHBondContact O-N 3.02Å; A406-I409 PolarHBondContact O-N 3.46Å; A406-E410 WeakPolarHBondContact O-CG 3.34Å; A406-E410 PolarHBondContact O-N 3Å; A406-E410 VanDerWaalsContact O-N 3.09Å; A406-E484 HydrophobicContact CB-CG 4.29Å; A406-F485 HydrophobicContact CB-CB 4.35Å
407Y87.9Confident85.6Confident51 Ų5130.9 Ų30.920%0.215%0.146CC..Hα-helixtrans-57.5-42.5176.2176.5-94000112.3I368 L369 R403 I404 I409 E410 Y411I368-Y407 HydrophobicContact CD1-CD1 3.67Å; I368-Y407 HydrophobicContact CD1-CE1 4.26Å; I368-Y407 HydrophobicContact CD1-CG 4.48Å; I368-Y407 HydrophobicContact CG1-CD1 3.61Å; I368-Y407 HydrophobicContact CG1-CE1 3.73Å; I368-Y407 HydrophobicContact CG1-CG 4.49Å; L369-Y407 HydrophobicContact CD2-CD2 3.74Å; L369-Y407 HydrophobicContact CD2-CE2 3.59Å; R403-Y407 WeakPolarHBondContact O-CB 3.32Å; R403-Y407 PolarHBondContact O-N 2.97Å; R403-Y407 VanDerWaalsContact O-N 3.08Å; I404-Y407 PolarHBondContact O-N 3.41Å; Y407-I409 VanDerWaalsContact C-N 3.33Å; Y407-I409 PolarHBondContact O-N 2.95Å; Y407-E410 PolarHBondContact O-N 2.93Å; Y407-Y411 HydrophobicContact CE1-CD2 4.44Å; Y407-Y411 VanDerWaalsContact O-CB 3.31Å; Y407-Y411 WeakPolarHBondContact O-CB 3.44Å; Y407-Y411 PolarHBondContact O-N 3.18Å
408S85.9Confident83.8Confident1 Ų133.9 Ų33.91%0.00717%0.167CC..Hα-helixtrans-60.9-42.9-178.1-54.60000112.1T377 I404 L405 A406 E412 Y452T377-S408 WeakPolarHBondContact CB-OG 3.24Å; T377-S408 WeakPolarHBondContact CG2-OG 3.44Å; I404-S408 WeakPolarHBondContact O-CB 3.38Å; I404-S408 PolarHBondContact O-N 3.31Å; I404-S408 PolarHBondContact O-OG 3.21Å; L405-S408 WeakPolarHBondContact O-CB 3.18Å; L405-S408 PolarHBondContact O-N 3.48Å; A406-S408 VanDerWaalsContact C-N 3.29Å; A406-S408 PolarHBondContact O-N 3.02Å; S408-E412 WeakPolarHBondContact O-CB 3.48Å; S408-E412 PolarHBondContact O-N 3.16Å; S408-Y452 WeakPolarHBondContact CB-OH 3.15Å
409I86.5Confident81.4Confident0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-67.6-48178.2-65.5156.3000110.8L405 A406 Y407 Y411 E412 Q413 F453 I456 F485 S488 L489L405-I409 WeakPolarHBondContact O-CD1 3.42Å; L405-I409 WeakPolarHBondContact O-CG1 3.48Å; L405-I409 PolarHBondContact O-N 2.8Å; L405-I409 VanDerWaalsContact O-N 3.15Å; A406-I409 PolarHBondContact O-N 3.46Å; Y407-I409 VanDerWaalsContact C-N 3.33Å; Y407-I409 PolarHBondContact O-N 2.95Å; I409-Y411 VanDerWaalsContact C-N 3.31Å; I409-Y411 PolarHBondContact O-N 3.3Å; I409-E412 PolarHBondContact O-N 3.42Å; I409-Q413 HydrophobicContact CG2-CG 4.47Å; I409-Q413 WeakPolarHBondContact O-CG 3.31Å; I409-Q413 PolarHBondContact O-N 3.42Å; I409-F453 HydrophobicContact CG2-CD2 4.49Å; I409-F453 HydrophobicContact CG2-CE2 3.97Å; I409-I456 HydrophobicContact CD1-CG2 3.92Å; I409-I456 HydrophobicContact CG1-CD1 4.08Å; I409-I456 HydrophobicContact CG1-CG2 4.19Å; I409-F485 HydrophobicContact CD1-CD2 3.57Å; I409-F485 HydrophobicContact CD1-CE2 3.44Å; I409-F485 VanDerWaalsContact CD1-CE2 3.44Å; I409-F485 HydrophobicContact CD1-CZ 4.35Å; I409-S488 WeakPolarHBondContact CD1-OG 3.39Å; I409-S488 WeakPolarHBondContact CG2-O 3.26Å; I409-S488 WeakPolarHBondContact CG2-OG 3.32Å; I409-L489 HydrophobicContact CD1-CD2 3.57Å; I409-L489 HydrophobicContact CD1-CG 4.35Å; I409-L489 HydrophobicContact CG1-CD2 4.24Å; I409-L489 HydrophobicContact CG2-CD2 4.26Å
410E83.2Confident78.9Confident65 Ų6540.5 Ų40.530%0.30421%0.21SC..Hα-helixtrans-59.8-44.9-179.7-69.4-171.4160.600111.1A406 Y407 Q413 L414 S488A406-E410 WeakPolarHBondContact O-CG 3.34Å; A406-E410 PolarHBondContact O-N 3Å; A406-E410 VanDerWaalsContact O-N 3.09Å; Y407-E410 PolarHBondContact O-N 2.93Å; E410-Q413 PolarHBondContact O-N 2.98Å; E410-L414 VanDerWaalsContact O-CG 3.28Å; E410-L414 WeakPolarHBondContact O-CG 3.41Å; E410-L414 PolarHBondContact O-N 3.37Å; E410-S488 VanDerWaalsContact CG-CB 3.46Å
411Y80.4Confident76.2Confident61 Ų6144.9 Ų44.924%0.23924%0.24CC..Hα-helixtrans-64.9-42.7179.2-167.6-81.5000112.2I374 Y407 I409 L414 Q415I374-Y411 HydrophobicContact CD1-CD1 3.49Å; I374-Y411 VanDerWaalsContact CD1-CD1 3.49Å; I374-Y411 HydrophobicContact CD1-CE1 3.35Å; I374-Y411 HydrophobicContact CG1-CD1 3.25Å; I374-Y411 HydrophobicContact CG1-CE1 3.15Å; Y407-Y411 HydrophobicContact CE1-CD2 4.44Å; Y407-Y411 VanDerWaalsContact O-CB 3.31Å; Y407-Y411 WeakPolarHBondContact O-CB 3.44Å; Y407-Y411 PolarHBondContact O-N 3.18Å; I409-Y411 VanDerWaalsContact C-N 3.31Å; I409-Y411 PolarHBondContact O-N 3.3Å; Y411-L414 PolarHBondContact O-N 2.81Å; Y411-Q415 HydrophobicContact CD1-CG 4.17Å; Y411-Q415 HydrophobicContact CE1-CG 3.77Å; Y411-Q415 VanDerWaalsContact CE1-NE2 3.26Å; Y411-Q415 PolarHBondContact O-N 3.47Å; Y411-Q415 PolarHBondContact OH-NE2 3.37Å
412E78.6Confident72.8Confident17 Ų1755.3 Ų55.38%0.07928%0.28CS..Hα-helixtrans-61-45175.9-178.5-178.4-154.700111.8H378 S408 I409 L414 Q415 S416 S450 Y452H378-E412 IonicContact CE1-OE1 2.93Å; S408-E412 WeakPolarHBondContact O-CB 3.48Å; S408-E412 PolarHBondContact O-N 3.16Å; I409-E412 PolarHBondContact O-N 3.42Å; E412-L414 PolarHBondContact O-N 3.1Å; E412-Q415 PolarHBondContact O-N 3.38Å; E412-S416 PolarHBondContact O-N 3.09Å; E412-S450 WeakPolarHBondContact OE1-CB 3.35Å; E412-S450 PolarHBondContact OE1-OG 2.78Å; E412-Y452 WeakPolarHBondContact OE2-CD1 3.19Å; E412-Y452 WeakPolarHBondContact OE2-CE1 3.33Å
413Q75.2Confident69.6Low1 Ų164.7 Ų64.71%0.00532%0.317CS..Hα-helixtrans-63.4-42.1177.8-74.1-179.3-10.500111.8I409 E410 Q415 S416 M417 F447 S488 L489 N491I409-Q413 HydrophobicContact CG2-CG 4.47Å; I409-Q413 WeakPolarHBondContact O-CG 3.31Å; I409-Q413 PolarHBondContact O-N 3.42Å; E410-Q413 PolarHBondContact O-N 2.98Å; Q413-Q415 VanDerWaalsContact C-N 3.32Å; Q413-Q415 PolarHBondContact O-N 2.58Å; Q413-S416 PolarHBondContact O-N 3.42Å; Q413-S416 PolarHBondContact O-OG 2.99Å; Q413-M417 WeakPolarHBondContact O-CG 3.45Å; Q413-M417 PolarHBondContact O-N 3.4Å; Q413-M417 VanDerWaalsContact O-N 3.14Å; Q413-F447 HydrophobicContact CG-CE2 4.24Å; Q413-F447 HydrophobicContact CG-CZ 4.34Å; Q413-S488 PolarHBondContact NE2-O 2.82Å; Q413-S488 PolarHBondContact OE1-O 3.45Å; Q413-L489 PolarHBondContact NE2-O 3.39Å; Q413-N491 VanDerWaalsContact OE1-CG 3.31Å
414L74.1Confident66.5Low108 Ų10864.8 Ų64.857%0.56533%0.332SS*.Hα-helixtrans-59.8-41.3174.6-72.8169.9000112.1E410 Y411 E412 M417 S418E410-L414 VanDerWaalsContact O-CG 3.28Å; E410-L414 WeakPolarHBondContact O-CG 3.41Å; E410-L414 PolarHBondContact O-N 3.37Å; Y411-L414 PolarHBondContact O-N 2.81Å; E412-L414 PolarHBondContact O-N 3.1Å; L414-M417 PolarHBondContact O-N 3.4Å; L414-S418 PolarHBondContact O-N 3.01Å; L414-S418 VanDerWaalsContact O-N 3.11Å
415Q68.4Low63.4Low81 Ų8175 Ų7538%0.37937%0.372SS..Hα-helixtrans-65.3-43.1175.8-76.5-145-5.400113I374 Y411 E412 Q413 M417 S418 T419I374-Q415 HydrophobicContact CD1-CB 4.36Å; I374-Q415 HydrophobicContact CD1-CG 3.75Å; I374-Q415 VanDerWaalsContact CD1-NE2 3.31Å; Y411-Q415 HydrophobicContact CD1-CG 4.17Å; Y411-Q415 HydrophobicContact CE1-CG 3.77Å; Y411-Q415 VanDerWaalsContact CE1-NE2 3.26Å; Y411-Q415 PolarHBondContact O-N 3.47Å; Y411-Q415 PolarHBondContact OH-NE2 3.37Å; E412-Q415 PolarHBondContact O-N 3.38Å; Q413-Q415 VanDerWaalsContact C-N 3.32Å; Q413-Q415 PolarHBondContact O-N 2.58Å; Q415-M417 PolarHBondContact O-N 3.34Å; Q415-S418 PolarHBondContact O-N 3.06Å; Q415-S418 PolarHBondContact O-OG 3.06Å; Q415-T419 PolarHBondContact O-N 3.29Å; Q415-T419 VanDerWaalsContact O-N 3.13Å; Q415-T419 PolarHBondContact O-OG1 2.96Å
416S66.1Low60.3Low32 Ų3283.5 Ų83.522%0.22441%0.411CS..Hα-helixtrans-58.6-32.9176.375.50000112.7E412 Q413 T419 C420 F447E412-S416 PolarHBondContact O-N 3.09Å; Q413-S416 PolarHBondContact O-N 3.42Å; Q413-S416 PolarHBondContact O-OG 2.99Å; S416-T419 PolarHBondContact O-OG1 3.04Å; S416-C420 PolarHBondContact O-SG 3.42Å; S416-C420 VanDerWaalsContact O-SG 3.35Å; S416-F447 WeakPolarHBondContact OG-CE2 3.46Å
417M62.1Low57.2Low81 Ų8191 Ų9140%0.39945%0.451SS..Hα-helixtrans-73.7-43176.4-69.3-77.3-81.500112.2Q413 L414 Q415 T419 C420Q413-M417 WeakPolarHBondContact O-CG 3.45Å; Q413-M417 PolarHBondContact O-N 3.4Å; Q413-M417 VanDerWaalsContact O-N 3.14Å; L414-M417 PolarHBondContact O-N 3.4Å; Q415-M417 PolarHBondContact O-N 3.34Å; M417-T419 VanDerWaalsContact C-N 3.29Å; M417-T419 PolarHBondContact O-N 3.3Å; M417-C420 PolarHBondContact O-N 3.07Å
418S58.2Low54.4Low63 Ų6395.3 Ų95.344%0.44148%0.482SS..Hα-helixtrans-66.4-26.2178.768.50000114.3L414 Q415 S421L414-S418 PolarHBondContact O-N 3.01Å; L414-S418 VanDerWaalsContact O-N 3.11Å; Q415-S418 PolarHBondContact O-N 3.06Å; Q415-S418 PolarHBondContact O-OG 3.06Å; S418-S421 PolarHBondContact O-OG 3.04Å; S418-S421 VanDerWaalsContact O-OG 3.06Å
419T48Very low51.6Low91 Ų9199.8 Ų99.856%0.55851%0.514SS*.Hα-helixtrans-77.6-26.7175.849.80000112.4Q415 S416 M417 S421Q415-T419 PolarHBondContact O-N 3.29Å; Q415-T419 VanDerWaalsContact O-N 3.13Å; Q415-T419 PolarHBondContact O-OG1 2.96Å; S416-T419 PolarHBondContact O-OG1 3.04Å; M417-T419 VanDerWaalsContact C-N 3.29Å; M417-T419 PolarHBondContact O-N 3.3Å; T419-S421 VanDerWaalsContact C-N 3.34Å; T419-S421 PolarHBondContact O-N 3.28Å
420C44.9Very low48.8Very low76 Ų76106.6 Ų106.651%0.51455%0.551SS.*Hα-helixtrans-71.3-23.6175.9-70.10000113.7S416 M417S416-C420 PolarHBondContact O-SG 3.42Å; S416-C420 VanDerWaalsContact O-SG 3.35Å; M417-C420 PolarHBondContact O-N 3.07Å
421S38.1Very low46.2Very low98 Ų98111.6 Ų111.669%0.68557%0.574SS**THydrogen-bonded Turntrans-83.4-5.1-179.963.70000115S418 T419S418-S421 PolarHBondContact O-OG 3.04Å; S418-S421 VanDerWaalsContact O-OG 3.06Å; T419-S421 VanDerWaalsContact C-N 3.34Å; T419-S421 PolarHBondContact O-N 3.28Å
422R26.2Very low43.7Very low219 Ų219113.2 Ų113.283%0.82659%0.594SS**THydrogen-bonded Turntrans-99.217-175.3-76.6-171-178.9173.41.6115.8P424R422-P424 WeakPolarHBondContact O-CD 3.38Å
423Y27.3Very low41.5Very low198 Ų198118.1 Ų118.178%0.77663%0.63SS**PPolyproline II helixtrans-78.8118.6166.9-84.7-85.9000109.6Y425Y423-Y425 PolarHBondContact O-N 3.07Å
424P28.7Very low39.1Very low115 Ų115123.5 Ų123.575%0.74767%0.668SS**PPolyproline II helixtrans-72120.2-176.329.9-31.8000108.8R422 E426R422-P424 WeakPolarHBondContact O-CD 3.38Å; P424-E426 PolarHBondContact O-N 3.48Å
425Y28.6Very low36.9Very low216 Ų216126.3 Ų126.385%0.84768%0.683SS**PPolyproline II helixtrans-67.3116.7161-100.1-92.8000107.5Y423Y423-Y425 PolarHBondContact O-N 3.07Å
426E26.5Very low35Very low177 Ų177130.5 Ų130.583%0.82771%0.707SS**PPolyproline II helixtrans-55.4132162.9-70.1175.8153.900109.5P424P424-E426 PolarHBondContact O-N 3.48Å
427D25.5Very low33Very low160 Ų160136.9 Ų136.986%0.85674%0.737SS**  trans24.694.3157.1-74.3-32.3000118
428V29.7Very low31.4Very low141 Ų141139.6 Ų139.686%0.85575%0.753SS**  trans-138.3114.7136.5-168.10000108.9
429S28.1Very low30.1Very low96 Ų96140.1 Ų140.167%0.67176%0.757SS**  trans-55.4151.4170.343.90000112.5
430N27.9Very low29.7Very low143 Ų143139.4 Ų139.477%0.76576%0.755SS**  trans89.6125160-65.9-22.4000119.9
431Q28.7Very low29.3Very low169 Ų169139.7 Ų139.779%0.7976%0.758SS**  trans88.992.2145.5-69.1172.912.500119.4
432S27.6Very low29.4Very low96 Ų96137.8 Ų137.867%0.67175%0.745SS**  44.8115.6120.950.90000119.9
433S31.7Very low30.3Very low119 Ų119129.9 Ų129.983%0.83272%0.723SS**  trans65.565.4139.5-47.70000117
434S25.9Very low31.1Very low115 Ų115123.2 Ų123.280%0.80470%0.697SS**  trans-151.353.9163.7-63.10000111.7L436S434-L436 VanDerWaalsContact C-N 3.29Å; S434-L436 PolarHBondContact O-N 3.41Å
435L27.2Very low31.7Very low167 Ų167127.1 Ų127.187%0.87470%0.697SS**THydrogen-bonded Turntrans-83.612.5178.7-95.6165.2000114.7
436L27.9Very low32.5Very low168 Ų168124.1 Ų124.188%0.8870%0.695SS**THydrogen-bonded Turntrans-116.59.8-175.1-80172.7000116.5S434S434-L436 VanDerWaalsContact C-N 3.29Å; S434-L436 PolarHBondContact O-N 3.41Å
437L24.2Very low33.7Very low166 Ų166117.8 Ų117.887%0.86967%0.665SS**  trans-131.459.1170.7-70.1168.8000110.4S439L437-S439 PolarHBondContact O-N 3.49Å
438L29.4Very low35.3Very low138 Ų138119.3 Ų119.372%0.72366%0.663SS**  trans-56.398.1155.7-78.7167.6000106.6S440L438-S440 PolarHBondContact O-N 3.03Å
439S29.9Very low37Very low75 Ų75115 Ų11552%0.52463%0.634SS.*  trans-47.8115.8169.741.80000108.2L437 S441 S442L437-S439 PolarHBondContact O-N 3.49Å; S439-S441 PolarHBondContact O-N 3.38Å; S439-S442 PolarHBondContact O-N 3.19Å; S439-S442 VanDerWaalsContact O-N 3.13Å; S439-S442 PolarHBondContact O-OG 3.33Å; S439-S442 VanDerWaalsContact O-OG 3.09Å
440S39.9Very low39.2Very low75 Ų75112.4 Ų112.452%0.52462%0.616SS.*THydrogen-bonded Turntrans-57.4-4.7-173.514.30000114.5L438 Y444L438-S440 PolarHBondContact O-N 3.03Å; S440-Y444 WeakPolarHBondContact O-CD2 3.18Å; S440-Y444 VanDerWaalsContact O-CE2 3.28Å; S440-Y444 WeakPolarHBondContact O-CE2 3.25Å
441S37Very low41.6Very low83 Ų83111.7 Ų111.758%0.5861%0.612SS**THydrogen-bonded Turntrans-84.8-19.2177.323.30000114S439S439-S441 PolarHBondContact O-N 3.38Å
442S39.4Very low44.1Very low58 Ų58104.7 Ų104.741%0.40658%0.578SS.*SBendtrans-85.9-21.6-175.159.20000115.2S439 Y444S439-S442 PolarHBondContact O-N 3.19Å; S439-S442 VanDerWaalsContact O-N 3.13Å; S439-S442 PolarHBondContact O-OG 3.33Å; S439-S442 VanDerWaalsContact O-OG 3.09Å; S442-Y444 PolarHBondContact O-N 3.42Å
443S44.9Very low46.8Very low52 Ų52100.1 Ų100.136%0.36455%0.546SS..THydrogen-bonded Turntrans-79.4-13.2-174.1-45.20000114.8
444Y45.4Very low49.4Very low58 Ų5899 Ų9923%0.22753%0.526CS..THydrogen-bonded Turntrans-95.115.7-175.4-63.5-77000114.1S440 S442 L446 Y494 V502 Y506S440-Y444 WeakPolarHBondContact O-CD2 3.18Å; S440-Y444 VanDerWaalsContact O-CE2 3.28Å; S440-Y444 WeakPolarHBondContact O-CE2 3.25Å; S442-Y444 PolarHBondContact O-N 3.42Å; Y444-L446 PolarHBondContact O-N 3.04Å; Y444-Y494 VanDerWaalsContact OH-CE1 3.31Å; Y444-Y494 WeakPolarHBondContact OH-CE1 3.29Å; Y444-Y494 PolarHBondContact OH-OH 3.07Å; Y444-V502 HydrophobicContact CE2-CG1 4.44Å; Y444-Y506 HydrophobicContact CE1-CD2 4.27Å
445R39.5Very low52.3Low198 Ų19897.4 Ų97.475%0.74751%0.509SS*.SBendtrans-57.5103.4171.3-78-173.2178.6-175.50.8109.6F447R445-F447 PolarHBondContact O-N 3.27Å
446L46.4Very low55.2Low153 Ų15389.6 Ų89.680%0.80147%0.468SS*.  trans29.481.6167.8-74.6155.9000113.9Y444 K448Y444-L446 PolarHBondContact O-N 3.04Å; L446-K448 PolarHBondContact O-N 3.11Å
447F52.3Low58.2Low44 Ų4481.7 Ų81.719%0.19343%0.427CS..  trans-51106162.2177.4-99.8000108.5Q413 S416 R445 E449 F453 T509Q413-F447 HydrophobicContact CG-CE2 4.24Å; Q413-F447 HydrophobicContact CG-CZ 4.34Å; S416-F447 WeakPolarHBondContact OG-CE2 3.46Å; R445-F447 PolarHBondContact O-N 3.27Å; F447-E449 HydrophobicContact CD1-CG 3.98Å; F447-E449 HydrophobicContact CE1-CB 4.26Å; F447-E449 HydrophobicContact CE1-CG 3.81Å; F447-E449 PolarHBondContact O-N 3.29Å; F447-F453 AromaticContact CE1-CD1 3.98Å; F447-F453 HydrophobicContact CE1-CD1 3.98Å; F447-F453 AromaticContact CE1-CE1 3.92Å; F447-F453 HydrophobicContact CE1-CE1 3.92Å; F447-F453 HydrophobicContact CE1-CG 4.4Å; F447-F453 HydrophobicContact CE1-CZ 4.31Å; F447-F453 HydrophobicContact CZ-CD1 4.36Å; F447-F453 HydrophobicContact CZ-CD2 4.4Å; F447-F453 HydrophobicContact CZ-CE1 4.42Å; F447-F453 HydrophobicContact CZ-CE2 4.48Å; F447-F453 HydrophobicContact CZ-CG 4.33Å; F447-F453 HydrophobicContact CZ-CZ 4.47Å; F447-T509 HydrophobicContact CB-CG2 3.8Å
448K59Low61.5Low191 Ų19179.2 Ų79.283%0.8341%0.409SS*.  trans-80.4101.7172-77.8-171.9178.7178.50107.4L446 S450L446-K448 PolarHBondContact O-N 3.11Å; K448-S450 PolarHBondContact O-N 3Å; K448-S450 VanDerWaalsContact O-N 3.15Å
449E64.6Low64.5Low52 Ų5276 Ų7624%0.24339%0.392CS..  trans-50.8119.5172.9-66.717917500110F447 F453 K454 T512F447-E449 HydrophobicContact CD1-CG 3.98Å; F447-E449 HydrophobicContact CE1-CB 4.26Å; F447-E449 HydrophobicContact CE1-CG 3.81Å; F447-E449 PolarHBondContact O-N 3.29Å; E449-F453 HydrophobicContact CB-CD1 4.18Å; E449-F453 HydrophobicContact CG-CD1 3.98Å; E449-F453 HydrophobicContact CG-CE1 4.26Å; E449-K454 HydrophobicContact CB-CD 4.41Å; E449-K454 HydrophobicContact CB-CG 3.96Å; E449-K454 WeakPolarHBondContact OE2-CE 3.25Å; E449-K454 VanDerWaalsContact OE2-CG 3.3Å; E449-K454 WeakPolarHBondContact OE2-CG 3.28Å; E449-T512 PolarHBondContact OE1-OG1 3.25Å; E449-T512 VanDerWaalsContact OE1-OG1 3.07Å
450S73.8Confident67.4Low40 Ų4078.3 Ų78.328%0.2840%0.398SS..  trans-65.8159.3172.4920000110.3E412 K448 Y452 F453 K454E412-S450 WeakPolarHBondContact OE1-CB 3.35Å; E412-S450 PolarHBondContact OE1-OG 2.78Å; K448-S450 PolarHBondContact O-N 3Å; K448-S450 VanDerWaalsContact O-N 3.15Å; S450-Y452 PolarHBondContact O-N 3.42Å; S450-Y452 PolarHBondContact OG-N 3.2Å; S450-Y452 VanDerWaalsContact OG-N 3.1Å; S450-F453 PolarHBondContact O-N 3.11Å; S450-F453 PolarHBondContact OG-N 2.77Å; S450-K454 WeakPolarHBondContact O-CG 3.45Å; S450-K454 PolarHBondContact O-N 3.4Å
451N79.5Confident70Confident128 Ų12876.1 Ų76.168%0.68438%0.381SS*.Hα-helixtrans-60.4-30.1172.8-74.6-20.4000112.4N455N451-N455 WeakPolarHBondContact O-CB 3.29Å; N451-N455 VanDerWaalsContact O-CG 3.29Å; N451-N455 PolarHBondContact O-N 3.02Å; N451-N455 VanDerWaalsContact O-N 3.1Å; N451-N455 PolarHBondContact O-ND2 2.72Å
452Y80.9Confident72.9Confident22 Ų2272.2 Ų72.29%0.08635%0.353CS..Hα-helixtrans-71.3-48176.8167.3-99.8000111.5H378 S381 S408 E412 S450 K454 N455 I456H378-Y452 VanDerWaalsContact CA-CE2 3.47Å; H378-Y452 HydrophobicContact CB-CD2 4.11Å; H378-Y452 HydrophobicContact CB-CE2 4.18Å; H378-Y452 AromaticContact CD2-CD1 3.94Å; H378-Y452 AromaticContact CD2-CE1 3.83Å; H378-Y452 AromaticContact CD2-CZ 3.92Å; H378-Y452 WeakPolarHBondContact CE1-CB 3.41Å; H378-Y452 AromaticContact CE1-CD1 3.27Å; H378-Y452 WeakPolarHBondContact CE1-CD1 3.49Å; H378-Y452 AromaticContact CE1-CD2 3.99Å; H378-Y452 AromaticContact CE1-CE1 3.93Å; H378-Y452 AromaticContact CE1-CG 3.26Å; H378-Y452 AromaticContact CG-CD2 3.73Å; H378-Y452 AromaticContact CG-CE2 3.94Å; H378-Y452 AromaticContact CG-CG 3.81Å; H378-Y452 WeakPolarHBondContact ND1-CB 3.34Å; H378-Y452 AromaticContact ND1-CD1 3.73Å; H378-Y452 AromaticContact ND1-CD2 3.56Å; H378-Y452 AromaticContact ND1-CG 3.25Å; H378-Y452 VanDerWaalsContact ND1-CG 3.25Å; H378-Y452 AromaticContact NE2-CD1 3.41Å; H378-Y452 WeakPolarHBondContact NE2-CD1 3.31Å; H378-Y452 AromaticContact NE2-CE1 3.61Å; H378-Y452 AromaticContact NE2-CG 3.8Å; S381-Y452 WeakPolarHBondContact OG-CE2 3.33Å; S381-Y452 PolarHBondContact OG-OH 2.9Å; S408-Y452 WeakPolarHBondContact CB-OH 3.15Å; E412-Y452 WeakPolarHBondContact OE2-CD1 3.19Å; E412-Y452 WeakPolarHBondContact OE2-CE1 3.33Å; S450-Y452 PolarHBondContact O-N 3.42Å; S450-Y452 PolarHBondContact OG-N 3.2Å; S450-Y452 VanDerWaalsContact OG-N 3.1Å; Y452-K454 VanDerWaalsContact C-N 3.27Å; Y452-K454 PolarHBondContact O-N 3.46Å; Y452-N455 WeakPolarHBondContact O-CA 3.35Å; Y452-N455 WeakPolarHBondContact O-CB 3.48Å; Y452-N455 PolarHBondContact O-N 3.19Å; Y452-I456 HydrophobicContact CD1-CD1 4.26Å; Y452-I456 HydrophobicContact CD2-CD1 4.5Å; Y452-I456 HydrophobicContact CE1-CD1 3.52Å; Y452-I456 HydrophobicContact CE1-CG1 4.44Å; Y452-I456 HydrophobicContact CE2-CD1 3.74Å; Y452-I456 HydrophobicContact CE2-CG1 4.17Å; Y452-I456 PolarHBondContact O-N 2.94Å; Y452-I456 VanDerWaalsContact OH-CD1 3.26Å; Y452-I456 WeakPolarHBondContact OH-CD1 3.21Å
453F84.3Confident75.6Confident0 Ų075.6 Ų75.60%036%0.358CS..Hα-helixtrans-56.6-43175-172.3-96.9000111.5I409 F447 E449 S450 N455 I456 C457 L489 I513I409-F453 HydrophobicContact CG2-CD2 4.49Å; I409-F453 HydrophobicContact CG2-CE2 3.97Å; F447-F453 AromaticContact CE1-CD1 3.98Å; F447-F453 HydrophobicContact CE1-CD1 3.98Å; F447-F453 AromaticContact CE1-CE1 3.92Å; F447-F453 HydrophobicContact CE1-CE1 3.92Å; F447-F453 HydrophobicContact CE1-CG 4.4Å; F447-F453 HydrophobicContact CE1-CZ 4.31Å; F447-F453 HydrophobicContact CZ-CD1 4.36Å; F447-F453 HydrophobicContact CZ-CD2 4.4Å; F447-F453 HydrophobicContact CZ-CE1 4.42Å; F447-F453 HydrophobicContact CZ-CE2 4.48Å; F447-F453 HydrophobicContact CZ-CG 4.33Å; F447-F453 HydrophobicContact CZ-CZ 4.47Å; E449-F453 HydrophobicContact CB-CD1 4.18Å; E449-F453 HydrophobicContact CG-CD1 3.98Å; E449-F453 HydrophobicContact CG-CE1 4.26Å; S450-F453 PolarHBondContact O-N 3.11Å; S450-F453 PolarHBondContact OG-N 2.77Å; F453-N455 VanDerWaalsContact C-N 3.33Å; F453-N455 PolarHBondContact O-N 3.28Å; F453-I456 PolarHBondContact O-N 3.44Å; F453-C457 WeakPolarHBondContact CE1-SG 3.36Å; F453-C457 WeakPolarHBondContact O-CB 3.48Å; F453-C457 PolarHBondContact O-N 3.46Å; F453-C457 PolarHBondContact O-SG 3.49Å; F453-L489 HydrophobicContact CE2-CD2 4.31Å; F453-I513 HydrophobicContact CE1-CD1 3.5Å; F453-I513 HydrophobicContact CE1-CG1 4.4Å; F453-I513 HydrophobicContact CZ-CD1 3.44Å; F453-I513 VanDerWaalsContact CZ-CD1 3.44Å
454K85.3Confident78Confident95 Ų9574 Ų7441%0.41335%0.345SS..Hα-helixtrans-59.6-41.3173.8-73.8178.1-174.4178.10112.9E449 S450 Y452 C457 K458E449-K454 HydrophobicContact CB-CD 4.41Å; E449-K454 HydrophobicContact CB-CG 3.96Å; E449-K454 WeakPolarHBondContact OE2-CE 3.25Å; E449-K454 VanDerWaalsContact OE2-CG 3.3Å; E449-K454 WeakPolarHBondContact OE2-CG 3.28Å; S450-K454 WeakPolarHBondContact O-CG 3.45Å; S450-K454 PolarHBondContact O-N 3.4Å; Y452-K454 VanDerWaalsContact C-N 3.27Å; Y452-K454 PolarHBondContact O-N 3.46Å; K454-C457 CarbonylContact O-C 3.57Å; K454-C457 PolarHBondContact O-N 2.95Å; K454-K458 PolarHBondContact O-N 3.09Å
455N87Confident80.5Confident83 Ų8371.3 Ų71.344%0.44434%0.335SS..Hα-helixtrans-67.3-41.1178.7-80.7-29.2000112.1N451 Y452 F453 K458 N461N451-N455 WeakPolarHBondContact O-CB 3.29Å; N451-N455 VanDerWaalsContact O-CG 3.29Å; N451-N455 PolarHBondContact O-N 3.02Å; N451-N455 VanDerWaalsContact O-N 3.1Å; N451-N455 PolarHBondContact O-ND2 2.72Å; Y452-N455 WeakPolarHBondContact O-CA 3.35Å; Y452-N455 WeakPolarHBondContact O-CB 3.48Å; Y452-N455 PolarHBondContact O-N 3.19Å; F453-N455 VanDerWaalsContact C-N 3.33Å; F453-N455 PolarHBondContact O-N 3.28Å; N455-K458 WeakPolarHBondContact O-CB 3.34Å; N455-K458 WeakPolarHBondContact O-CG 3.04Å; N455-K458 PolarHBondContact O-N 3.44Å; N455-K458 VanDerWaalsContact OD1-CE 3.29Å; N455-K458 WeakPolarHBondContact OD1-CE 3.21Å; N455-K458 PolarHBondContact OD1-NZ 3.45Å; N455-N461 PolarHBondContact O-ND2 2.72Å
456I89.3Confident83.3Confident3 Ų361.9 Ų61.92%0.01530%0.3CS..Hα-helixtrans-62.6-45.6172.7-72.4-172000110.6F385 I409 Y452 F453 K458 N461 F485 L489F385-I456 HydrophobicContact CE2-CG1 4.35Å; F385-I456 HydrophobicContact CZ-CG2 4.35Å; I409-I456 HydrophobicContact CD1-CG2 3.92Å; I409-I456 HydrophobicContact CG1-CD1 4.08Å; I409-I456 HydrophobicContact CG1-CG2 4.19Å; Y452-I456 HydrophobicContact CD1-CD1 4.26Å; Y452-I456 HydrophobicContact CD2-CD1 4.5Å; Y452-I456 HydrophobicContact CE1-CD1 3.52Å; Y452-I456 HydrophobicContact CE1-CG1 4.44Å; Y452-I456 HydrophobicContact CE2-CD1 3.74Å; Y452-I456 HydrophobicContact CE2-CG1 4.17Å; Y452-I456 PolarHBondContact O-N 2.94Å; Y452-I456 VanDerWaalsContact OH-CD1 3.26Å; Y452-I456 WeakPolarHBondContact OH-CD1 3.21Å; F453-I456 PolarHBondContact O-N 3.44Å; I456-K458 PolarHBondContact O-N 3.31Å; I456-N461 WeakPolarHBondContact O-CB 3.47Å; I456-N461 PolarHBondContact O-ND2 3.24Å; I456-F485 HydrophobicContact CG2-CE2 4.01Å; I456-F485 HydrophobicContact CG2-CZ 4.12Å; I456-L489 HydrophobicContact CG2-CD2 4.17Å
457C90.4Very high85.7Confident1 Ų156.7 Ų56.71%0.00727%0.274CS..THydrogen-bonded Turntrans-74.415-179-64.30000114.2F453 K454 K516F453-C457 WeakPolarHBondContact CE1-SG 3.36Å; F453-C457 WeakPolarHBondContact O-CB 3.48Å; F453-C457 PolarHBondContact O-N 3.46Å; F453-C457 PolarHBondContact O-SG 3.49Å; K454-C457 CarbonylContact O-C 3.57Å; K454-C457 PolarHBondContact O-N 2.95Å; C457-K516 VanDerWaalsContact O-CD 3.29Å; C457-K516 WeakPolarHBondContact O-CD 3.2Å; C457-K516 WeakPolarHBondContact O-CE 3.38Å; C457-K516 PolarHBondContact O-NZ 3.13Å
458K92.4Very high87.8Confident114 Ų11454.6 Ų54.650%0.49627%0.265SS..  trans-62.2139.7171.3-77.8177.8-179.5176.30109.6K454 N455 I456 N460 N461 L462K454-K458 PolarHBondContact O-N 3.09Å; N455-K458 WeakPolarHBondContact O-CB 3.34Å; N455-K458 WeakPolarHBondContact O-CG 3.04Å; N455-K458 PolarHBondContact O-N 3.44Å; N455-K458 VanDerWaalsContact OD1-CE 3.29Å; N455-K458 WeakPolarHBondContact OD1-CE 3.21Å; N455-K458 PolarHBondContact OD1-NZ 3.45Å; I456-K458 PolarHBondContact O-N 3.31Å; K458-N460 PolarHBondContact O-N 3.3Å; K458-N461 WeakPolarHBondContact O-CB 3.27Å; K458-N461 PolarHBondContact O-N 3.02Å; K458-L462 PolarHBondContact O-N 2.93Å
459I92.2Very high89.7Confident71 Ų7145.5 Ų45.536%0.36423%0.225SC..Hα-helixtrans-57.9-37-175.6-163.7163.4000112.5N461 L462 Y463 T519 I520I459-N461 VanDerWaalsContact C-N 3.32Å; I459-N461 PolarHBondContact O-N 3.49Å; I459-L462 PolarHBondContact O-N 2.95Å; I459-Y463 VanDerWaalsContact O-CB 3.26Å; I459-Y463 WeakPolarHBondContact O-CB 3.41Å; I459-Y463 PolarHBondContact O-N 3.5Å; I459-T519 HydrophobicContact CD1-CG2 3.59Å; I459-I520 HydrophobicContact CD1-CG2 4.44Å; I459-I520 HydrophobicContact CG1-CG2 3.8Å
460N91.8Very high91.2Very high123 Ų12346.9 Ų46.966%0.65823%0.231SC*.Hα-helixtrans-62.9-37.2177.6-66.1-2.2000112.5K458 L464K458-N460 PolarHBondContact O-N 3.3Å; N460-L464 VanDerWaalsContact O-CB 3.29Å; N460-L464 WeakPolarHBondContact O-CB 3.45Å; N460-L464 PolarHBondContact O-N 3.27Å
461N94.9Very high92.1Very high30 Ų3049.3 Ų49.316%0.1624%0.236CC..Hα-helixtrans-69.9-44.8178.7-69-2.5000110.8F385 N455 I456 K458 I459 Y463 L464 V465F385-N461 HydrophobicContact CD1-CB 3.89Å; F385-N461 HydrophobicContact CD2-CB 4.43Å; F385-N461 HydrophobicContact CE1-CB 3.62Å; F385-N461 HydrophobicContact CE2-CB 4.19Å; F385-N461 WeakPolarHBondContact CE2-ND2 3.47Å; F385-N461 HydrophobicContact CG-CB 4.29Å; F385-N461 HydrophobicContact CZ-CB 3.78Å; N455-N461 PolarHBondContact O-ND2 2.72Å; I456-N461 WeakPolarHBondContact O-CB 3.47Å; I456-N461 PolarHBondContact O-ND2 3.24Å; K458-N461 WeakPolarHBondContact O-CB 3.27Å; K458-N461 PolarHBondContact O-N 3.02Å; I459-N461 VanDerWaalsContact C-N 3.32Å; I459-N461 PolarHBondContact O-N 3.49Å; N461-Y463 VanDerWaalsContact C-N 3.33Å; N461-Y463 PolarHBondContact O-N 3.24Å; N461-L464 WeakPolarHBondContact O-CB 3.43Å; N461-L464 PolarHBondContact O-N 2.88Å; N461-V465 WeakPolarHBondContact O-CG2 3.49Å; N461-V465 PolarHBondContact O-N 3.33Å; N461-V465 VanDerWaalsContact O-N 3.09Å
462L97.1Very high92.8Very high0 Ų044 Ų440%021%0.207CC..Hα-helixtrans-62.9-42.8176.4-56.2-177.7000111.3K458 I459 V465 L466 F485 F486 L489 K516 L517 I520K458-L462 PolarHBondContact O-N 2.93Å; I459-L462 PolarHBondContact O-N 2.95Å; L462-V465 PolarHBondContact O-N 3.07Å; L462-L466 PolarHBondContact O-N 3.29Å; L462-L466 VanDerWaalsContact O-N 3.12Å; L462-F485 HydrophobicContact CD2-CE1 3.79Å; L462-F485 HydrophobicContact CD2-CZ 4Å; L462-F486 HydrophobicContact CB-CE1 4.17Å; L462-F486 HydrophobicContact CD2-CE1 4.15Å; L462-L489 HydrophobicContact CD2-CD1 3.45Å; L462-L489 VanDerWaalsContact CD2-CD1 3.45Å; L462-K516 HydrophobicContact CD1-CB 3.83Å; L462-K516 HydrophobicContact CD1-CD 4.26Å; L462-L517 HydrophobicContact CD1-CD2 4.42Å; L462-I520 HydrophobicContact CB-CD1 3.82Å; L462-I520 HydrophobicContact CB-CG2 4.34Å
463Y96.8Very high93.4Very high129 Ų12945.5 Ų45.551%0.50622%0.216SC..Hα-helixtrans-63.7-40.8175.9-175.5-104.5000111.9I459 N461 L466 V467I459-Y463 VanDerWaalsContact O-CB 3.26Å; I459-Y463 WeakPolarHBondContact O-CB 3.41Å; I459-Y463 PolarHBondContact O-N 3.5Å; N461-Y463 VanDerWaalsContact C-N 3.33Å; N461-Y463 PolarHBondContact O-N 3.24Å; Y463-L466 PolarHBondContact O-N 3.35Å; Y463-V467 HydrophobicContact CD1-CG2 3.91Å; Y463-V467 HydrophobicContact CE1-CG2 3.48Å; Y463-V467 VanDerWaalsContact CE1-CG2 3.48Å; Y463-V467 HydrophobicContact CE2-CG2 4.17Å; Y463-V467 HydrophobicContact CG-CG2 4.42Å; Y463-V467 WeakPolarHBondContact O-CG2 3.28Å; Y463-V467 PolarHBondContact O-N 2.79Å
464L95.9Very high93.8Very high19 Ų1953.6 Ų53.610%0.09925%0.254CS..Hα-helixtrans-59.4-47.6175.9175.860.4000111.9F385 Y389 N460 N461 L466 V467 I468F385-L464 HydrophobicContact CB-CD2 4.28Å; F385-L464 HydrophobicContact CD1-CD2 4.27Å; F385-L464 WeakPolarHBondContact O-CD2 3.02Å; Y389-L464 HydrophobicContact CD2-CD1 4Å; N460-L464 VanDerWaalsContact O-CB 3.29Å; N460-L464 WeakPolarHBondContact O-CB 3.45Å; N460-L464 PolarHBondContact O-N 3.27Å; N461-L464 WeakPolarHBondContact O-CB 3.43Å; N461-L464 PolarHBondContact O-N 2.88Å; L464-L466 VanDerWaalsContact C-N 3.28Å; L464-L466 PolarHBondContact O-N 3.43Å; L464-V467 PolarHBondContact O-N 2.87Å; L464-I468 HydrophobicContact CD1-CD1 3.81Å; L464-I468 HydrophobicContact CD1-CG1 4.24Å; L464-I468 HydrophobicContact CG-CD1 3.89Å; L464-I468 WeakPolarHBondContact O-CG1 2.91Å; L464-I468 PolarHBondContact O-N 2.85Å
465V97.7Very high94.2Very high1 Ų154.7 Ų54.71%0.00626%0.256CS..Hα-helixtrans-58-44.5176.4174.20000110.5F385 M388 L402 N461 L462 I468 M469 F485 F486F385-V465 HydrophobicContact CE1-CG2 4.16Å; M388-V465 HydrophobicContact CE-CG2 4.17Å; L402-V465 HydrophobicContact CD2-CG1 3.89Å; L402-V465 HydrophobicContact CD2-CG2 4.07Å; N461-V465 WeakPolarHBondContact O-CG2 3.49Å; N461-V465 PolarHBondContact O-N 3.33Å; N461-V465 VanDerWaalsContact O-N 3.09Å; L462-V465 PolarHBondContact O-N 3.07Å; V465-I468 PolarHBondContact O-N 3.21Å; V465-M469 HydrophobicContact CG1-SD 4.12Å; V465-M469 WeakPolarHBondContact O-CG 3.49Å; V465-M469 PolarHBondContact O-N 3.2Å; V465-F485 HydrophobicContact CB-CD1 4.36Å; V465-F485 HydrophobicContact CB-CE1 4.27Å; V465-F485 HydrophobicContact CG1-CD1 3.92Å; V465-F485 HydrophobicContact CG1-CE1 4.33Å; V465-F485 HydrophobicContact CG2-CD1 4.08Å; V465-F485 HydrophobicContact CG2-CE1 3.81Å; V465-F485 HydrophobicContact CG2-CZ 4.21Å; V465-F486 HydrophobicContact CB-CE2 4.5Å; V465-F486 HydrophobicContact CB-CZ 4.02Å; V465-F486 HydrophobicContact CG1-CE2 3.83Å; V465-F486 HydrophobicContact CG1-CZ 3.84Å
466L98Very high94.7Very high1 Ų152.5 Ų52.51%0.00525%0.246CC..Hα-helixtrans-64.5-42.2178.2-174.162.5000112.8L462 Y463 L464 I468 M469 K470 F486 I520 L522 H525L462-L466 PolarHBondContact O-N 3.29Å; L462-L466 VanDerWaalsContact O-N 3.12Å; Y463-L466 PolarHBondContact O-N 3.35Å; L464-L466 VanDerWaalsContact C-N 3.28Å; L464-L466 PolarHBondContact O-N 3.43Å; L466-I468 VanDerWaalsContact C-N 3.31Å; L466-I468 PolarHBondContact O-N 2.97Å; L466-M469 WeakPolarHBondContact O-CB 3.45Å; L466-M469 PolarHBondContact O-N 3.36Å; L466-K470 WeakPolarHBondContact O-CG 3.2Å; L466-K470 PolarHBondContact O-N 3.46Å; L466-F486 HydrophobicContact CB-CZ 4.3Å; L466-I520 HydrophobicContact CD2-CB 4.21Å; L466-I520 HydrophobicContact CD2-CD1 4.36Å; L466-I520 HydrophobicContact CD2-CG1 4.14Å; L466-I520 WeakPolarHBondContact CD2-O 3.33Å; L466-L522 HydrophobicContact CD1-CD1 3.93Å; L466-H525 HydrophobicContact CD1-CB 3.66Å
467V95.9Very high95Very high44 Ų4457.4 Ų57.427%0.26727%0.272SS..Hα-helixtrans-61.9-40.8176.3168.40000111Y463 L464 K470 K471Y463-V467 HydrophobicContact CD1-CG2 3.91Å; Y463-V467 HydrophobicContact CE1-CG2 3.48Å; Y463-V467 VanDerWaalsContact CE1-CG2 3.48Å; Y463-V467 HydrophobicContact CE2-CG2 4.17Å; Y463-V467 HydrophobicContact CG-CG2 4.42Å; Y463-V467 WeakPolarHBondContact O-CG2 3.28Å; Y463-V467 PolarHBondContact O-N 2.79Å; L464-V467 PolarHBondContact O-N 2.87Å; V467-K470 PolarHBondContact O-N 3.08Å; V467-K471 WeakPolarHBondContact O-CB 3.34Å; V467-K471 PolarHBondContact O-N 2.8Å
468I97.1Very high95.3Very high0 Ų057.5 Ų57.50%027%0.273CS..Hα-helixtrans-64.2-43176.3-71.9165.2000110.7M388 Q392 I398 L464 V465 L466 K470 K471 H472 V478M388-I468 HydrophobicContact CB-CD1 3.89Å; M388-I468 HydrophobicContact CE-CD1 3.35Å; Q392-I468 HydrophobicContact CG-CG1 4.34Å; I398-I468 HydrophobicContact CD1-CD1 3.86Å; I398-I468 HydrophobicContact CD1-CG1 4.44Å; I398-I468 HydrophobicContact CD1-CG2 4.1Å; I398-I468 HydrophobicContact CG1-CG2 4.19Å; I398-I468 HydrophobicContact CG2-CG2 3.53Å; L464-I468 HydrophobicContact CD1-CD1 3.81Å; L464-I468 HydrophobicContact CD1-CG1 4.24Å; L464-I468 HydrophobicContact CG-CD1 3.89Å; L464-I468 WeakPolarHBondContact O-CG1 2.91Å; L464-I468 PolarHBondContact O-N 2.85Å; V465-I468 PolarHBondContact O-N 3.21Å; L466-I468 VanDerWaalsContact C-N 3.31Å; L466-I468 PolarHBondContact O-N 2.97Å; I468-K470 VanDerWaalsContact C-N 3.34Å; I468-K470 PolarHBondContact O-N 3.33Å; I468-K471 PolarHBondContact O-N 3.25Å; I468-H472 PolarHBondContact O-CD2 3.25Å; I468-H472 PolarHBondContact O-N 3.4Å; I468-V478 HydrophobicContact CG2-CG1 4.25Å
469M98.1Very high95.6Very high0 Ų052 Ų520%025%0.249CC..Hα-helixtrans-60.6-42174.1-70.7171.668.900112V465 L466 H472 L473 Q479 L483 F486V465-M469 HydrophobicContact CG1-SD 4.12Å; V465-M469 WeakPolarHBondContact O-CG 3.49Å; V465-M469 PolarHBondContact O-N 3.2Å; L466-M469 WeakPolarHBondContact O-CB 3.45Å; L466-M469 PolarHBondContact O-N 3.36Å; M469-H472 CarbonylContact O-C 3.58Å; M469-H472 VanDerWaalsContact O-C 3.29Å; M469-H472 PolarHBondContact O-N 3.48Å; M469-L473 WeakPolarHBondContact O-CA 3.44Å; M469-L473 PolarHBondContact O-N 2.87Å; M469-L473 VanDerWaalsContact O-N 3.14Å; M469-Q479 PolarHBondContact O-NE2 3.12Å; M469-L483 HydrophobicContact CE-CD2 3.84Å; M469-L483 HydrophobicContact CE-CG 3.68Å; M469-F486 HydrophobicContact SD-CD2 4.2Å; M469-F486 HydrophobicContact SD-CE2 3.67Å
470K96.2Very high95.8Very high81 Ų8153.9 Ų53.935%0.35225%0.252SS..Hα-helixtrans-64-45175.3-72.5177177.4-174.90112.3L466 V467 I468 H472 L473 H525L466-K470 WeakPolarHBondContact O-CG 3.2Å; L466-K470 PolarHBondContact O-N 3.46Å; V467-K470 PolarHBondContact O-N 3.08Å; I468-K470 VanDerWaalsContact C-N 3.34Å; I468-K470 PolarHBondContact O-N 3.33Å; K470-H472 PolarHBondContact O-N 3.27Å; K470-L473 PolarHBondContact O-N 3.37Å; K470-H525 VanDerWaalsContact CG-ND1 3.32Å; K470-H525 WeakPolarHBondContact CG-ND1 3.34Å
471K92.9Very high96.1Very high90 Ų9048.8 Ų48.839%0.39122%0.224SC..Hα-helixtrans-59.5-35.6177.6-171.1173.6-172.8170.30111.8E317 Q392 V467 I468E317-K471 IonicContact OE1-NZ 2.7Å; E317-K471 PolarHBondContact OE1-NZ 3.39Å; Q392-K471 HydrophobicContact CB-CD 4.37Å; V467-K471 WeakPolarHBondContact O-CB 3.34Å; V467-K471 PolarHBondContact O-N 2.8Å; I468-K471 PolarHBondContact O-N 3.25Å
472H94.3Very high96.2Very high17 Ų1747.3 Ų47.38%0.07922%0.216CC..THydrogen-bonded Turntrans-111.640.4-177.6-62.8-64.1000112.5Q392 I468 M469 K470 Q474 Y475 V478 Q479Q392-H472 PolarHBondContact O-NE2 3.38Å; I468-H472 PolarHBondContact O-CD2 3.25Å; I468-H472 PolarHBondContact O-N 3.4Å; M469-H472 CarbonylContact O-C 3.58Å; M469-H472 VanDerWaalsContact O-C 3.29Å; M469-H472 PolarHBondContact O-N 3.48Å; K470-H472 PolarHBondContact O-N 3.27Å; H472-Q474 PolarHBondContact O-N 3.38Å; H472-Q474 VanDerWaalsContact O-N 3.13Å; H472-Y475 HydrophobicContact CB-CD2 3.74Å; H472-Y475 HydrophobicContact CB-CG 4.42Å; H472-Y475 AromaticContact ND1-CD2 3.88Å; H472-Y475 AromaticContact ND1-CE2 3.87Å; H472-Y475 PolarHBondContact O-N 3.18Å; H472-V478 HydrophobicContact CB-CB 4.22Å; H472-V478 HydrophobicContact CB-CG1 4.03Å; H472-V478 HydrophobicContact CB-CG2 4.17Å; H472-Q479 PolarHBondContact O-NE2 3.16Å
473L93.4Very high96.2Very high54 Ų5447.3 Ų47.328%0.28322%0.216SC..THydrogen-bonded Turntrans-54.1-36-175.2-175.164000113.2M469 K470 Y475 L529 M538M469-L473 WeakPolarHBondContact O-CA 3.44Å; M469-L473 PolarHBondContact O-N 2.87Å; M469-L473 VanDerWaalsContact O-N 3.14Å; K470-L473 PolarHBondContact O-N 3.37Å; L473-Y475 VanDerWaalsContact C-N 3.3Å; L473-Y475 PolarHBondContact O-N 3.3Å; L473-L529 HydrophobicContact CD1-CD2 3.62Å; L473-M538 WeakPolarHBondContact O-CE 3.45Å
474Q92.2Very high96.1Very high169 Ų16944.3 Ų44.379%0.7921%0.207SC*.THydrogen-bonded Turntrans-76.1-13.2-178.4-60.9-176.82.900114H472 V476 M538H472-Q474 PolarHBondContact O-N 3.38Å; H472-Q474 VanDerWaalsContact O-N 3.13Å; Q474-V476 PolarHBondContact O-N 3.34Å; Q474-M538 VanDerWaalsContact O-CE 3.25Å; Q474-M538 WeakPolarHBondContact O-CE 3.14Å
475Y95.5Very high96.1Very high118 Ų11843.4 Ų43.446%0.46320%0.202SC..  trans-94.7100.9-173.5-66.1-87.2000111.9L395 H472 L473 N477 V478 Q479L395-Y475 HydrophobicContact CD1-CD1 3.71Å; L395-Y475 HydrophobicContact CD1-CE1 3.4Å; L395-Y475 HydrophobicContact CD1-CE2 4.47Å; L395-Y475 HydrophobicContact CD1-CG 4.37Å; L395-Y475 HydrophobicContact CD2-CD1 4.46Å; L395-Y475 HydrophobicContact CD2-CD2 4.44Å; L395-Y475 HydrophobicContact CD2-CG 4.34Å; H472-Y475 HydrophobicContact CB-CD2 3.74Å; H472-Y475 HydrophobicContact CB-CG 4.42Å; H472-Y475 AromaticContact ND1-CD2 3.88Å; H472-Y475 AromaticContact ND1-CE2 3.87Å; H472-Y475 PolarHBondContact O-N 3.18Å; L473-Y475 VanDerWaalsContact C-N 3.3Å; L473-Y475 PolarHBondContact O-N 3.3Å; Y475-N477 VanDerWaalsContact C-N 3.26Å; Y475-N477 PolarHBondContact O-N 2.8Å; Y475-N477 VanDerWaalsContact O-N 3.16Å; Y475-V478 PolarHBondContact O-N 2.8Å; Y475-Q479 PolarHBondContact O-N 3.4Å
476V95.9Very high96Very high37 Ų3743.3 Ų43.322%0.22420%0.202CC..Hα-helixtrans-50.7-43.7-176.51780000112.3Q474 V478 Q479 R480 E537 M538 I541Q474-V476 PolarHBondContact O-N 3.34Å; V476-V478 PolarHBondContact O-N 2.85Å; V476-Q479 PolarHBondContact O-N 2.87Å; V476-R480 WeakPolarHBondContact O-CB 3.33Å; V476-R480 PolarHBondContact O-N 2.85Å; V476-E537 HydrophobicContact CG2-CB 4.44Å; V476-M538 VanDerWaalsContact CA-CE 3.47Å; V476-M538 HydrophobicContact CB-CE 4.17Å; V476-M538 HydrophobicContact CG2-CE 3.65Å; V476-M538 HydrophobicContact CG2-SD 4.13Å; V476-I541 HydrophobicContact CG1-CD1 3.57Å
477N96.4Very high95.7Very high107 Ų10746 Ų4657%0.57221%0.213SC*.Hα-helixtrans-66-36.7-178.3-71.9-12.2000112.9Y475 L481Y475-N477 VanDerWaalsContact C-N 3.26Å; Y475-N477 PolarHBondContact O-N 2.8Å; Y475-N477 VanDerWaalsContact O-N 3.16Å; N477-L481 WeakPolarHBondContact O-CB 3.21Å; N477-L481 WeakPolarHBondContact O-CG 3.49Å; N477-L481 PolarHBondContact O-N 3.23Å
478V97.5Very high95.4Very high2 Ų244 Ų441%0.01220%0.201CC..Hα-helixtrans-67.4-43.1176.6179.20000109.9L395 I398 T399 I468 H472 Y475 V476 G482L395-V478 HydrophobicContact CD2-CG2 3.96Å; I398-V478 HydrophobicContact CG2-CG1 4.25Å; I398-V478 HydrophobicContact CG2-CG2 4.43Å; T399-V478 HydrophobicContact CG2-CG2 4.06Å; I468-V478 HydrophobicContact CG2-CG1 4.25Å; H472-V478 HydrophobicContact CB-CB 4.22Å; H472-V478 HydrophobicContact CB-CG1 4.03Å; H472-V478 HydrophobicContact CB-CG2 4.17Å; Y475-V478 PolarHBondContact O-N 2.8Å; V476-V478 PolarHBondContact O-N 2.85Å; V478-G482 PolarHBondContact O-N 3.29Å
479Q97.9Very high95.1Very high0 Ų044 Ų440%020%0.201CC..Hα-helixtrans-62.6-45.7177.2-57-48.2-48.500111.6M469 H472 Y475 V476 G482 L483 H525 L529 M538 I541M469-Q479 PolarHBondContact O-NE2 3.12Å; H472-Q479 PolarHBondContact O-NE2 3.16Å; Y475-Q479 PolarHBondContact O-N 3.4Å; V476-Q479 PolarHBondContact O-N 2.87Å; Q479-G482 PolarHBondContact O-N 3.49Å; Q479-L483 WeakPolarHBondContact O-CB 3.44Å; Q479-L483 VanDerWaalsContact O-CG 3.32Å; Q479-L483 WeakPolarHBondContact O-CG 3.35Å; Q479-L483 PolarHBondContact O-N 3.32Å; Q479-H525 PolarHBondContact OE1-NE2 3.26Å; Q479-L529 HydrophobicContact CG-CD2 4.11Å; Q479-M538 HydrophobicContact CB-SD 4.16Å; Q479-M538 HydrophobicContact CG-CE 3.86Å; Q479-M538 HydrophobicContact CG-SD 3.68Å; Q479-I541 HydrophobicContact CB-CG2 4.46Å
480R97.4Very high94.6Very high110 Ų11044 Ų4442%0.41520%0.201SC..Hα-helixtrans-59.4-52.7178.8-173.6178.4-63.5-96.5-1.6111.6V476 L483 E484 I541V476-R480 WeakPolarHBondContact O-CB 3.33Å; V476-R480 PolarHBondContact O-N 2.85Å; R480-L483 PolarHBondContact O-N 2.98Å; R480-E484 VanDerWaalsContact O-CB 3.29Å; R480-E484 WeakPolarHBondContact O-CB 3.37Å; R480-E484 PolarHBondContact O-N 3.39Å; R480-I541 HydrophobicContact CB-CD1 4.29Å
481L97.1Very high93.6Very high15 Ų1541.7 Ų41.78%0.07919%0.193CC..Hα-helixtrans-67.8-37.1-178.3-71.4166.8000112.5T399 L402 R403 N477 E484 F485T399-L481 HydrophobicContact CG2-CD1 3.96Å; T399-L481 WeakPolarHBondContact O-CD1 3.17Å; L402-L481 HydrophobicContact CB-CB 3.88Å; L402-L481 HydrophobicContact CD1-CB 4.12Å; R403-L481 HydrophobicContact CB-CD2 4.15Å; N477-L481 WeakPolarHBondContact O-CB 3.21Å; N477-L481 WeakPolarHBondContact O-CG 3.49Å; N477-L481 PolarHBondContact O-N 3.23Å; L481-E484 PolarHBondContact O-N 3.12Å; L481-F485 WeakPolarHBondContact O-CB 3.26Å; L481-F485 PolarHBondContact O-N 2.96Å
482G97.6Very high92.2Very high0 Ų038.1 Ų38.10%018%0.178CC..Hα-helixtrans-65.1-41.4175.600000112.4V478 Q479 F485 F486V478-G482 PolarHBondContact O-N 3.29Å; Q479-G482 PolarHBondContact O-N 3.49Å; G482-F485 WeakPolarHBondContact O-CB 3.43Å; G482-F485 PolarHBondContact O-N 3.09Å; G482-F486 WeakPolarHBondContact O-CD2 3.44Å; G482-F486 PolarHBondContact O-N 3.46Å
483L97.1Very high90.4Very high0 Ų042.9 Ų42.90%020%0.204CC..Hα-helixtrans-73.1-33.4175.4-69.9175000113M469 Q479 R480 F485 F486 K487 L522 L526 L529 I541 Y545M469-L483 HydrophobicContact CE-CD2 3.84Å; M469-L483 HydrophobicContact CE-CG 3.68Å; Q479-L483 WeakPolarHBondContact O-CB 3.44Å; Q479-L483 VanDerWaalsContact O-CG 3.32Å; Q479-L483 WeakPolarHBondContact O-CG 3.35Å; Q479-L483 PolarHBondContact O-N 3.32Å; R480-L483 PolarHBondContact O-N 2.98Å; L483-F485 VanDerWaalsContact C-N 3.34Å; L483-F486 HydrophobicContact CD2-CD2 4.48Å; L483-F486 PolarHBondContact O-N 3.03Å; L483-K487 VanDerWaalsContact O-CB 3.28Å; L483-K487 WeakPolarHBondContact O-CB 3.35Å; L483-K487 PolarHBondContact O-N 3.26Å; L483-L522 HydrophobicContact CD2-CD1 4.34Å; L483-L526 HydrophobicContact CD1-CD2 3.9Å; L483-L526 HydrophobicContact CD2-CD2 3.6Å; L483-L526 HydrophobicContact CD2-CG 4.34Å; L483-L526 HydrophobicContact CG-CD2 4.42Å; L483-L529 HydrophobicContact CD1-CD1 4.07Å; L483-I541 HydrophobicContact CD1-CG2 3.36Å; L483-Y545 HydrophobicContact CB-CD1 3.76Å; L483-Y545 HydrophobicContact CB-CD2 4.05Å; L483-Y545 HydrophobicContact CB-CE1 3.72Å; L483-Y545 HydrophobicContact CB-CE2 4.01Å; L483-Y545 HydrophobicContact CB-CG 3.92Å; L483-Y545 HydrophobicContact CD1-CD2 3.87Å; L483-Y545 HydrophobicContact CD1-CE2 4.4Å; L483-Y545 HydrophobicContact CD1-CG 3.98Å; L483-Y545 HydrophobicContact CG-CG 4.38Å; L483-Y545 VanDerWaalsContact O-CE1 3.27Å; L483-Y545 WeakPolarHBondContact O-CE1 3.47Å
484E94.4Very high88.4Confident65 Ų6542.6 Ų42.630%0.30420%0.199SC..Hα-helixtrans-61.1-44.3170.8-172.7173.7-173.400110.8A406 R480 L481 K487 S488A406-E484 HydrophobicContact CB-CG 4.29Å; R480-E484 VanDerWaalsContact O-CB 3.29Å; R480-E484 WeakPolarHBondContact O-CB 3.37Å; R480-E484 PolarHBondContact O-N 3.39Å; L481-E484 PolarHBondContact O-N 3.12Å; E484-K487 PolarHBondContact O-N 3.28Å; E484-S488 PolarHBondContact O-N 2.91Å
485F95.5Very high86.1Confident0 Ų038.8 Ų38.80%019%0.191CC..Hα-helixtrans-56.8-48.9170.2168-92.3000112.1F385 L405 A406 I409 I456 L462 V465 L481 G482 L483 K487 S488 L489F385-F485 HydrophobicContact CZ-CE2 4.34Å; F385-F485 HydrophobicContact CZ-CZ 4.3Å; L405-F485 HydrophobicContact CB-CD2 3.9Å; L405-F485 HydrophobicContact CB-CE2 4.08Å; A406-F485 HydrophobicContact CB-CB 4.35Å; I409-F485 HydrophobicContact CD1-CD2 3.57Å; I409-F485 HydrophobicContact CD1-CE2 3.44Å; I409-F485 VanDerWaalsContact CD1-CE2 3.44Å; I409-F485 HydrophobicContact CD1-CZ 4.35Å; I456-F485 HydrophobicContact CG2-CE2 4.01Å; I456-F485 HydrophobicContact CG2-CZ 4.12Å; L462-F485 HydrophobicContact CD2-CE1 3.79Å; L462-F485 HydrophobicContact CD2-CZ 4Å; V465-F485 HydrophobicContact CB-CD1 4.36Å; V465-F485 HydrophobicContact CB-CE1 4.27Å; V465-F485 HydrophobicContact CG1-CD1 3.92Å; V465-F485 HydrophobicContact CG1-CE1 4.33Å; V465-F485 HydrophobicContact CG2-CD1 4.08Å; V465-F485 HydrophobicContact CG2-CE1 3.81Å; V465-F485 HydrophobicContact CG2-CZ 4.21Å; L481-F485 WeakPolarHBondContact O-CB 3.26Å; L481-F485 PolarHBondContact O-N 2.96Å; G482-F485 WeakPolarHBondContact O-CB 3.43Å; G482-F485 PolarHBondContact O-N 3.09Å; L483-F485 VanDerWaalsContact C-N 3.34Å; F485-K487 VanDerWaalsContact C-N 3.34Å; F485-K487 PolarHBondContact O-N 3.42Å; F485-S488 PolarHBondContact O-N 3.35Å; F485-S488 PolarHBondContact O-OG 2.91Å; F485-L489 HydrophobicContact CE1-CD1 4.04Å; F485-L489 HydrophobicContact CZ-CD1 4.34Å; F485-L489 WeakPolarHBondContact O-CG 3.33Å; F485-L489 PolarHBondContact O-N 3.31Å
486F95.7Very high83.7Confident0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-66.5-35.4178.9-71.8-57.8000113.3L462 V465 L466 M469 G482 L483 L489 L517 I520 L522 F549L462-F486 HydrophobicContact CB-CE1 4.17Å; L462-F486 HydrophobicContact CD2-CE1 4.15Å; V465-F486 HydrophobicContact CB-CE2 4.5Å; V465-F486 HydrophobicContact CB-CZ 4.02Å; V465-F486 HydrophobicContact CG1-CE2 3.83Å; V465-F486 HydrophobicContact CG1-CZ 3.84Å; L466-F486 HydrophobicContact CB-CZ 4.3Å; M469-F486 HydrophobicContact SD-CD2 4.2Å; M469-F486 HydrophobicContact SD-CE2 3.67Å; G482-F486 WeakPolarHBondContact O-CD2 3.44Å; G482-F486 PolarHBondContact O-N 3.46Å; L483-F486 HydrophobicContact CD2-CD2 4.48Å; L483-F486 PolarHBondContact O-N 3.03Å; F486-L489 HydrophobicContact CD1-CD1 4.09Å; F486-L489 WeakPolarHBondContact O-CB 3.33Å; F486-L489 PolarHBondContact O-N 3.07Å; F486-L517 HydrophobicContact CD1-CD2 3.53Å; F486-L517 HydrophobicContact CE1-CD2 3.93Å; F486-L517 HydrophobicContact CG-CD2 4.39Å; F486-I520 HydrophobicContact CE1-CD1 3.87Å; F486-I520 HydrophobicContact CZ-CD1 4.05Å; F486-L522 HydrophobicContact CB-CD2 4.11Å; F486-L522 HydrophobicContact CD1-CD2 4.35Å; F486-L522 HydrophobicContact CD2-CD1 3.8Å; F486-L522 HydrophobicContact CD2-CD2 4.05Å; F486-L522 HydrophobicContact CE2-CD1 3.78Å; F486-L522 HydrophobicContact CG-CD1 4.49Å; F486-L522 HydrophobicContact CG-CD2 3.93Å; F486-L522 HydrophobicContact CZ-CD1 4.45Å; F486-F549 HydrophobicContact CB-CE1 4.35Å; F486-F549 HydrophobicContact CB-CZ 3.88Å
487K92Very high81.4Confident58 Ų5837.3 Ų37.325%0.25220%0.198SC..Hα-helixtrans-66.9-40.7175.5175.1-159.6168.1-148.10111.1L483 E484 F485 L489 I490 N491 Y545L483-K487 VanDerWaalsContact O-CB 3.28Å; L483-K487 WeakPolarHBondContact O-CB 3.35Å; L483-K487 PolarHBondContact O-N 3.26Å; E484-K487 PolarHBondContact O-N 3.28Å; F485-K487 VanDerWaalsContact C-N 3.34Å; F485-K487 PolarHBondContact O-N 3.42Å; K487-L489 PolarHBondContact O-N 3.04Å; K487-I490 VanDerWaalsContact O-CG1 3.3Å; K487-I490 WeakPolarHBondContact O-CG1 3.38Å; K487-I490 PolarHBondContact O-N 2.98Å; K487-I490 VanDerWaalsContact O-N 3.07Å; K487-N491 PolarHBondContact O-N 3.43Å; K487-Y545 HydrophobicContact CB-CD1 4.2Å; K487-Y545 HydrophobicContact CB-CE1 3.67Å; K487-Y545 HydrophobicContact CD-CE1 3.9Å; K487-Y545 HydrophobicContact CG-CE1 4.24Å
488S90.2Very high79.3Confident2 Ų235.2 Ų35.21%0.01419%0.186CC..Hα-helixtrans-61.8-31.717969.90000111.3I409 E410 Q413 E484 F485 I490 N491I409-S488 WeakPolarHBondContact CD1-OG 3.39Å; I409-S488 WeakPolarHBondContact CG2-O 3.26Å; I409-S488 WeakPolarHBondContact CG2-OG 3.32Å; E410-S488 VanDerWaalsContact CG-CB 3.46Å; Q413-S488 PolarHBondContact NE2-O 2.82Å; Q413-S488 PolarHBondContact OE1-O 3.45Å; E484-S488 PolarHBondContact O-N 2.91Å; F485-S488 PolarHBondContact O-N 3.35Å; F485-S488 PolarHBondContact O-OG 2.91Å; S488-I490 PolarHBondContact O-N 3.5Å; S488-N491 PolarHBondContact O-N 2.87Å
489L90.8Very high77.6Confident0 Ų039.4 Ų39.40%021%0.208CC..Hα-helixtrans-60.3-29.3174.8-59.7174000114I409 Q413 F453 I456 L462 F485 F486 K487 I513I409-L489 HydrophobicContact CD1-CD2 3.57Å; I409-L489 HydrophobicContact CD1-CG 4.35Å; I409-L489 HydrophobicContact CG1-CD2 4.24Å; I409-L489 HydrophobicContact CG2-CD2 4.26Å; Q413-L489 PolarHBondContact NE2-O 3.39Å; F453-L489 HydrophobicContact CE2-CD2 4.31Å; I456-L489 HydrophobicContact CG2-CD2 4.17Å; L462-L489 HydrophobicContact CD2-CD1 3.45Å; L462-L489 VanDerWaalsContact CD2-CD1 3.45Å; F485-L489 HydrophobicContact CE1-CD1 4.04Å; F485-L489 HydrophobicContact CZ-CD1 4.34Å; F485-L489 WeakPolarHBondContact O-CG 3.33Å; F485-L489 PolarHBondContact O-N 3.31Å; F486-L489 HydrophobicContact CD1-CD1 4.09Å; F486-L489 WeakPolarHBondContact O-CB 3.33Å; F486-L489 PolarHBondContact O-N 3.07Å; K487-L489 PolarHBondContact O-N 3.04Å; L489-I513 HydrophobicContact CB-CG2 4.04Å; L489-I513 WeakPolarHBondContact O-CD1 3.28Å
490I86.4Confident75.9Confident0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-109.70.9-174.261.9171.1000113.7K487 S488 I492 Y506 I513 F514 L517 F549K487-I490 VanDerWaalsContact O-CG1 3.3Å; K487-I490 WeakPolarHBondContact O-CG1 3.38Å; K487-I490 PolarHBondContact O-N 2.98Å; K487-I490 VanDerWaalsContact O-N 3.07Å; S488-I490 PolarHBondContact O-N 3.5Å; I490-I492 HydrophobicContact CD1-CD1 3.39Å; I490-I492 HydrophobicContact CD1-CG1 3.96Å; I490-I492 HydrophobicContact CG1-CD1 3.99Å; I490-I492 HydrophobicContact CG1-CG1 4.03Å; I490-I492 PolarHBondContact O-N 3.19Å; I490-Y506 WeakPolarHBondContact CB-OH 3.42Å; I490-Y506 WeakPolarHBondContact O-CE2 3.29Å; I490-Y506 PolarHBondContact O-OH 3.29Å; I490-I513 HydrophobicContact CG2-CB 4.42Å; I490-I513 HydrophobicContact CG2-CG2 3.87Å; I490-F514 HydrophobicContact CB-CZ 4.37Å; I490-F514 HydrophobicContact CD1-CE1 4.17Å; I490-F514 HydrophobicContact CD1-CZ 3.96Å; I490-F514 HydrophobicContact CG2-CE1 4.5Å; I490-F514 HydrophobicContact CG2-CE2 4.32Å; I490-F514 HydrophobicContact CG2-CZ 4.15Å; I490-L517 HydrophobicContact CG2-CD1 4.18Å; I490-F549 HydrophobicContact CD1-CD1 3.72Å; I490-F549 HydrophobicContact CD1-CE1 3.49Å; I490-F549 VanDerWaalsContact CD1-CE1 3.49Å; I490-F549 HydrophobicContact CD1-CZ 4.4Å; I490-F549 HydrophobicContact CG1-CE1 4.39Å
491N75.6Confident74.3Confident31 Ų3145.4 Ų45.417%0.16625%0.248CC..THydrogen-bonded Turntrans44.653.3173.5-1574000115.8Q413 K487 S488 N493 Y510Q413-N491 VanDerWaalsContact OE1-CG 3.31Å; K487-N491 PolarHBondContact O-N 3.43Å; S488-N491 PolarHBondContact O-N 2.87Å; N491-N493 PolarHBondContact O-N 3.02Å; N491-N493 PolarHBondContact OD1-ND2 2.9Å; N491-Y510 WeakPolarHBondContact CB-OH 3.41Å
492I63.1Low73Confident16 Ų1645.7 Ų45.78%0.08225%0.25CS..  trans-76101.4178.2-64.6168.9000109.6I490 Y494 Y506 K548I490-I492 HydrophobicContact CD1-CD1 3.39Å; I490-I492 HydrophobicContact CD1-CG1 3.96Å; I490-I492 HydrophobicContact CG1-CD1 3.99Å; I490-I492 HydrophobicContact CG1-CG1 4.03Å; I490-I492 PolarHBondContact O-N 3.19Å; I492-Y494 HydrophobicContact CG2-CD2 4.34Å; I492-Y506 WeakPolarHBondContact CG1-OH 3.4Å; I492-K548 HydrophobicContact CD1-CB 3.46Å; I492-K548 VanDerWaalsContact CD1-CB 3.46Å; I492-K548 HydrophobicContact CD1-CD 4.22Å; I492-K548 HydrophobicContact CD1-CG 3.91Å
493N56.1Low71.9Confident117 Ų11746.7 Ų46.763%0.62626%0.256SS*.  trans-110.917.9170.7-76.2-22000113.7N491 S495N491-N493 PolarHBondContact O-N 3.02Å; N491-N493 PolarHBondContact OD1-ND2 2.9Å; N493-S495 PolarHBondContact O-N 3Å
494Y51.8Low70.9Confident48 Ų4852.8 Ų52.819%0.18828%0.282CS..  trans-71.4104.4170.8-56.3-62.5000109.9Y444 I492 T496 V502 Y506Y444-Y494 VanDerWaalsContact OH-CE1 3.31Å; Y444-Y494 WeakPolarHBondContact OH-CE1 3.29Å; Y444-Y494 PolarHBondContact OH-OH 3.07Å; I492-Y494 HydrophobicContact CG2-CD2 4.34Å; Y494-T496 PolarHBondContact O-N 3.24Å; Y494-V502 HydrophobicContact CD1-CG1 4.33Å; Y494-V502 HydrophobicContact CE1-CG1 3.34Å; Y494-V502 WeakPolarHBondContact OH-CG1 3.41Å; Y494-Y506 HydrophobicContact CE2-CD1 4.46Å; Y494-Y506 AromaticContact CE2-CD2 3.73Å; Y494-Y506 HydrophobicContact CE2-CD2 3.73Å; Y494-Y506 HydrophobicContact CE2-CE2 4.04Å; Y494-Y506 AromaticContact CE2-CG 3.95Å; Y494-Y506 HydrophobicContact CE2-CG 3.95Å; Y494-Y506 AromaticContact CZ-CD2 3.92Å; Y494-Y506 VanDerWaalsContact OH-CB 3.24Å; Y494-Y506 WeakPolarHBondContact OH-CB 3.11Å; Y494-Y506 VanDerWaalsContact OH-CD2 3.24Å; Y494-Y506 WeakPolarHBondContact OH-CD2 3.45Å
495S44.2Very low70.1Confident88 Ų8852.8 Ų52.862%0.61528%0.284SS*.  trans-81.3104.3155.367.50000107.7N493 S497N493-S495 PolarHBondContact O-N 3Å; S495-S497 VanDerWaalsContact C-N 3.31Å; S495-S497 PolarHBondContact O-N 3.19Å
496T45.8Very low69.4Low39 Ų3952.9 Ų52.924%0.23929%0.285CS..SBendtrans66.9-25.2156.660.60000120.7Y494 I624 W627Y494-T496 PolarHBondContact O-N 3.24Å; T496-I624 HydrophobicContact CG2-CG2 4.39Å; T496-W627 PolarHBondContact O-NE1 3.48Å
497S47Very low68.9Low85 Ų8554.2 Ų54.259%0.59429%0.292SS*.  trans-10588.1-178.858.80000112.4S495 N499S495-S497 VanDerWaalsContact C-N 3.31Å; S495-S497 PolarHBondContact O-N 3.19Å; S497-N499 PolarHBondContact O-N 3.29Å
498I52.6Low68.5Low64 Ų6457.7 Ų57.733%0.32831%0.309SS..  trans-90.7101.7177.6-61.2179.8000108.5I503 M587I498-I503 HydrophobicContact CG2-CD1 3.05Å; I498-I503 HydrophobicContact CG2-CG1 3.15Å; I498-M587 HydrophobicContact CD1-CE 4.02Å
499N60.9Low68.1Low89 Ų8959.3 Ų59.348%0.47632%0.319SS..  trans-83.1138.2164.2-176.8-6.4000109.2S497 D501 V502 I503S497-N499 PolarHBondContact O-N 3.29Å; N499-D501 VanDerWaalsContact C-N 3.27Å; N499-D501 PolarHBondContact O-N 2.84Å; N499-D501 PolarHBondContact OD1-N 3.3Å; N499-V502 HydrophobicContact CB-CB 4.31Å; N499-V502 HydrophobicContact CB-CG2 3.97Å; N499-V502 WeakPolarHBondContact O-CB 3.46Å; N499-V502 PolarHBondContact O-N 3.18Å; N499-V502 VanDerWaalsContact O-N 3.12Å; N499-I503 PolarHBondContact O-N 3.03Å
500L62.9Low67.9Low131 Ų13159.8 Ų59.869%0.68632%0.32SS*.Hα-helixtrans-56.2-38.4179.8-74.5171.7000113I503 K504L500-I503 HydrophobicContact CD2-CD1 4.19Å; L500-I503 PolarHBondContact O-N 3.43Å; L500-K504 PolarHBondContact O-N 3.05Å
501D63.3Low68Low106 Ų10662.4 Ų62.457%0.56734%0.335SS*.Hα-helixtrans-65.4-42178.1-64.5-36.9000111.1N499 I503 K504 D505N499-D501 VanDerWaalsContact C-N 3.27Å; N499-D501 PolarHBondContact O-N 2.84Å; N499-D501 PolarHBondContact OD1-N 3.3Å; D501-I503 VanDerWaalsContact C-N 3.33Å; D501-I503 PolarHBondContact O-N 2.9Å; D501-K504 WeakPolarHBondContact O-CB 3.48Å; D501-K504 PolarHBondContact O-N 3.05Å; D501-K504 VanDerWaalsContact O-N 3.09Å; D501-D505 PolarHBondContact O-N 3.07Å; D501-D505 VanDerWaalsContact O-N 3.09Å
502V70.4Confident68.7Low20 Ų2064.1 Ų64.112%0.12135%0.346CS..Hα-helixtrans-63.5-38.8176.81770000111.2Y444 Y494 N499 K504 Y506Y444-V502 HydrophobicContact CE2-CG1 4.44Å; Y494-V502 HydrophobicContact CD1-CG1 4.33Å; Y494-V502 HydrophobicContact CE1-CG1 3.34Å; Y494-V502 WeakPolarHBondContact OH-CG1 3.41Å; N499-V502 HydrophobicContact CB-CB 4.31Å; N499-V502 HydrophobicContact CB-CG2 3.97Å; N499-V502 WeakPolarHBondContact O-CB 3.46Å; N499-V502 PolarHBondContact O-N 3.18Å; N499-V502 VanDerWaalsContact O-N 3.12Å; V502-K504 VanDerWaalsContact C-N 3.32Å; V502-K504 PolarHBondContact O-N 3.13Å; V502-Y506 WeakPolarHBondContact O-CB 3.28Å; V502-Y506 PolarHBondContact O-N 3.09Å
503I74Confident70.1Confident22 Ų2263.4 Ų63.411%0.11334%0.343CS..Hα-helixtrans-62.4-42.2173.4-59.8168.2000110.6I498 N499 L500 D501 Y506 L507I498-I503 HydrophobicContact CG2-CD1 3.05Å; I498-I503 HydrophobicContact CG2-CG1 3.15Å; N499-I503 PolarHBondContact O-N 3.03Å; L500-I503 HydrophobicContact CD2-CD1 4.19Å; L500-I503 PolarHBondContact O-N 3.43Å; D501-I503 VanDerWaalsContact C-N 3.33Å; D501-I503 PolarHBondContact O-N 2.9Å; I503-Y506 PolarHBondContact O-N 3.24Å; I503-L507 HydrophobicContact CG2-CD1 3.67Å; I503-L507 HydrophobicContact CG2-CG 3.9Å; I503-L507 WeakPolarHBondContact O-CB 3.34Å; I503-L507 VanDerWaalsContact O-CG 3.3Å; I503-L507 WeakPolarHBondContact O-CG 3.4Å; I503-L507 PolarHBondContact O-N 2.79Å
504K77.2Confident71.9Confident128 Ų12857.9 Ų57.956%0.55731%0.313SS*.Hα-helixtrans-63.9-48-175.4-170.1-179.6177.7-175.90110.9L500 D501 V502 Y506 L507 Q508L500-K504 PolarHBondContact O-N 3.05Å; D501-K504 WeakPolarHBondContact O-CB 3.48Å; D501-K504 PolarHBondContact O-N 3.05Å; D501-K504 VanDerWaalsContact O-N 3.09Å; V502-K504 VanDerWaalsContact C-N 3.32Å; V502-K504 PolarHBondContact O-N 3.13Å; K504-Y506 VanDerWaalsContact C-N 3.32Å; K504-Y506 PolarHBondContact O-N 2.85Å; K504-L507 PolarHBondContact O-N 3.41Å; K504-Q508 WeakPolarHBondContact O-CG 3.3Å; K504-Q508 PolarHBondContact O-N 3.31Å
505D76.3Confident74Confident65 Ų6560.8 Ų60.835%0.34833%0.327SS..Hα-helixtrans-64.4-39177.7-67.6-13.4000111.6D501 Q508 T509D501-D505 PolarHBondContact O-N 3.07Å; D501-D505 VanDerWaalsContact O-N 3.09Å; D505-Q508 PolarHBondContact O-N 2.79Å; D505-T509 PolarHBondContact O-N 2.7Å; D505-T509 PolarHBondContact O-OG1 2.71Å
506Y81.6Confident76.5Confident1 Ų159.2 Ų59.20%0.00431%0.309CS..Hα-helixtrans-62.6-49.5174.7173.9-91.2000112.7Y444 I490 I492 Y494 V502 I503 K504 Q508 T509 Y510 F514 I551Y444-Y506 HydrophobicContact CE1-CD2 4.27Å; I490-Y506 WeakPolarHBondContact CB-OH 3.42Å; I490-Y506 WeakPolarHBondContact O-CE2 3.29Å; I490-Y506 PolarHBondContact O-OH 3.29Å; I492-Y506 WeakPolarHBondContact CG1-OH 3.4Å; Y494-Y506 HydrophobicContact CE2-CD1 4.46Å; Y494-Y506 AromaticContact CE2-CD2 3.73Å; Y494-Y506 HydrophobicContact CE2-CD2 3.73Å; Y494-Y506 HydrophobicContact CE2-CE2 4.04Å; Y494-Y506 AromaticContact CE2-CG 3.95Å; Y494-Y506 HydrophobicContact CE2-CG 3.95Å; Y494-Y506 AromaticContact CZ-CD2 3.92Å; Y494-Y506 VanDerWaalsContact OH-CB 3.24Å; Y494-Y506 WeakPolarHBondContact OH-CB 3.11Å; Y494-Y506 VanDerWaalsContact OH-CD2 3.24Å; Y494-Y506 WeakPolarHBondContact OH-CD2 3.45Å; V502-Y506 WeakPolarHBondContact O-CB 3.28Å; V502-Y506 PolarHBondContact O-N 3.09Å; I503-Y506 PolarHBondContact O-N 3.24Å; K504-Y506 VanDerWaalsContact C-N 3.32Å; K504-Y506 PolarHBondContact O-N 2.85Å; Y506-Q508 VanDerWaalsContact C-N 3.26Å; Y506-Q508 PolarHBondContact O-N 2.77Å; Y506-T509 WeakPolarHBondContact O-CB 3.27Å; Y506-T509 PolarHBondContact O-N 2.8Å; Y506-T509 VanDerWaalsContact O-N 3.1Å; Y506-Y510 AromaticContact CD2-CD2 3.66Å; Y506-Y510 HydrophobicContact CD2-CD2 3.66Å; Y506-Y510 AromaticContact CD2-CE2 3.7Å; Y506-Y510 HydrophobicContact CD2-CE2 3.7Å; Y506-Y510 HydrophobicContact CE1-CD2 4.3Å; Y506-Y510 AromaticContact CE2-CD2 3.42Å; Y506-Y510 HydrophobicContact CE2-CD2 3.42Å; Y506-Y510 VanDerWaalsContact CE2-CD2 3.42Å; Y506-Y510 AromaticContact CE2-CE2 3.44Å; Y506-Y510 HydrophobicContact CE2-CE2 3.44Å; Y506-Y510 VanDerWaalsContact CE2-CE2 3.44Å; Y506-Y510 HydrophobicContact CE2-CG 4.45Å; Y506-Y510 HydrophobicContact CG-CD2 4.2Å; Y506-Y510 AromaticContact CZ-CD2 3.77Å; Y506-Y510 WeakPolarHBondContact O-CD2 3.42Å; Y506-Y510 PolarHBondContact O-N 3.45Å; Y506-F514 AromaticContact CE1-CE2 3.75Å; Y506-F514 HydrophobicContact CE1-CE2 3.75Å; Y506-F514 AromaticContact CE1-CZ 3.96Å; Y506-F514 HydrophobicContact CE1-CZ 3.96Å; Y506-I551 HydrophobicContact CD1-CD1 4.12Å; Y506-I551 HydrophobicContact CE1-CD1 3.45Å; Y506-I551 VanDerWaalsContact CE1-CD1 3.45Å
507L84.4Confident78.9Confident29 Ų2957.3 Ų57.315%0.15230%0.297CS..Hα-helixtrans-63.8-34.5178.4-74.4179.2000111.4I503 K504 T509 N511 F514 I551 Y552I503-L507 HydrophobicContact CG2-CD1 3.67Å; I503-L507 HydrophobicContact CG2-CG 3.9Å; I503-L507 WeakPolarHBondContact O-CB 3.34Å; I503-L507 VanDerWaalsContact O-CG 3.3Å; I503-L507 WeakPolarHBondContact O-CG 3.4Å; I503-L507 PolarHBondContact O-N 2.79Å; K504-L507 PolarHBondContact O-N 3.41Å; L507-T509 VanDerWaalsContact C-N 3.35Å; L507-N511 VanDerWaalsContact O-CA 3.28Å; L507-N511 WeakPolarHBondContact O-CA 3.32Å; L507-N511 VanDerWaalsContact O-CB 3.22Å; L507-N511 WeakPolarHBondContact O-CB 3.24Å; L507-N511 PolarHBondContact O-N 3.39Å; L507-F514 HydrophobicContact CD2-CD2 4.04Å; L507-F514 HydrophobicContact CD2-CE2 3.81Å; L507-F514 HydrophobicContact CD2-CZ 4.34Å; L507-I551 WeakPolarHBondContact CD1-O 3.18Å; L507-I551 HydrophobicContact CD2-CG1 4.18Å; L507-Y552 HydrophobicContact CD2-CD2 4.23Å
508Q83.9Confident81.3Confident130 Ų13056.7 Ų56.761%0.60729%0.285SS*.Hα-helixtrans-62.6-43.3172.6-75.3179.15.100111.6K504 D505 Y506K504-Q508 WeakPolarHBondContact O-CG 3.3Å; K504-Q508 PolarHBondContact O-N 3.31Å; D505-Q508 PolarHBondContact O-N 2.79Å; Y506-Q508 VanDerWaalsContact C-N 3.26Å; Y506-Q508 PolarHBondContact O-N 2.77Å
509T81.3Confident83.4Confident36 Ų3658 Ų5822%0.22130%0.296CS..Hα-helixtrans-64.3-43.2179.7-57.50000112.2F447 D505 Y506 L507F447-T509 HydrophobicContact CB-CG2 3.8Å; D505-T509 PolarHBondContact O-N 2.7Å; D505-T509 PolarHBondContact O-OG1 2.71Å; Y506-T509 WeakPolarHBondContact O-CB 3.27Å; Y506-T509 PolarHBondContact O-N 2.8Å; Y506-T509 VanDerWaalsContact O-N 3.1Å; L507-T509 VanDerWaalsContact C-N 3.35Å
510Y86.8Confident85.1Confident10 Ų1054.2 Ų54.24%0.03928%0.276CS..Hα-helixtrans-102.69.9-174.1-65.5-78.2000114.3N491 Y506 T512 I513 F514N491-Y510 WeakPolarHBondContact CB-OH 3.41Å; Y506-Y510 AromaticContact CD2-CD2 3.66Å; Y506-Y510 HydrophobicContact CD2-CD2 3.66Å; Y506-Y510 AromaticContact CD2-CE2 3.7Å; Y506-Y510 HydrophobicContact CD2-CE2 3.7Å; Y506-Y510 HydrophobicContact CE1-CD2 4.3Å; Y506-Y510 AromaticContact CE2-CD2 3.42Å; Y506-Y510 HydrophobicContact CE2-CD2 3.42Å; Y506-Y510 VanDerWaalsContact CE2-CD2 3.42Å; Y506-Y510 AromaticContact CE2-CE2 3.44Å; Y506-Y510 HydrophobicContact CE2-CE2 3.44Å; Y506-Y510 VanDerWaalsContact CE2-CE2 3.44Å; Y506-Y510 HydrophobicContact CE2-CG 4.45Å; Y506-Y510 HydrophobicContact CG-CD2 4.2Å; Y506-Y510 AromaticContact CZ-CD2 3.77Å; Y506-Y510 WeakPolarHBondContact O-CD2 3.42Å; Y506-Y510 PolarHBondContact O-N 3.45Å; Y510-T512 VanDerWaalsContact C-N 3.27Å; Y510-T512 PolarHBondContact O-N 3.04Å; Y510-I513 HydrophobicContact CD1-CD1 3.84Å; Y510-I513 PolarHBondContact O-N 3.28Å; Y510-F514 WeakPolarHBondContact O-CD2 3.39Å; Y510-F514 PolarHBondContact O-N 2.84Å
511N89Confident86.7Confident56 Ų5650.4 Ų50.430%0.29926%0.256SS..Hα-helixtrans-54.6-40.9-174.1-17025.7000112.9L507 I513 F514 K515 Y552L507-N511 VanDerWaalsContact O-CA 3.28Å; L507-N511 WeakPolarHBondContact O-CA 3.32Å; L507-N511 VanDerWaalsContact O-CB 3.22Å; L507-N511 WeakPolarHBondContact O-CB 3.24Å; L507-N511 PolarHBondContact O-N 3.39Å; N511-I513 VanDerWaalsContact C-N 3.3Å; N511-I513 PolarHBondContact O-N 3.07Å; N511-F514 PolarHBondContact O-N 3.28Å; N511-K515 WeakPolarHBondContact O-CB 3.21Å; N511-K515 WeakPolarHBondContact O-CG 3.08Å; N511-K515 PolarHBondContact O-N 3.19Å; N511-Y552 WeakPolarHBondContact OD1-CE2 3.47Å; N511-Y552 PolarHBondContact OD1-OH 3.35Å
512T90.9Very high88.4Confident67 Ų6745.4 Ų45.441%0.41123%0.229SC..Hα-helixtrans-60.6-40.4179.3520000111.7E449 Y510 K516E449-T512 PolarHBondContact OE1-OG1 3.25Å; E449-T512 VanDerWaalsContact OE1-OG1 3.07Å; Y510-T512 VanDerWaalsContact C-N 3.27Å; Y510-T512 PolarHBondContact O-N 3.04Å; T512-K516 WeakPolarHBondContact O-CG 3.4Å; T512-K516 PolarHBondContact O-N 2.92Å
513I91.7Very high89.7Confident1 Ų144.6 Ų44.61%0.00522%0.224CC..Hα-helixtrans-72.7-48179.1-51.6-174.9000109.9F453 L489 I490 Y510 N511 K515 K516 L517F453-I513 HydrophobicContact CE1-CD1 3.5Å; F453-I513 HydrophobicContact CE1-CG1 4.4Å; F453-I513 HydrophobicContact CZ-CD1 3.44Å; F453-I513 VanDerWaalsContact CZ-CD1 3.44Å; L489-I513 HydrophobicContact CB-CG2 4.04Å; L489-I513 WeakPolarHBondContact O-CD1 3.28Å; I490-I513 HydrophobicContact CG2-CB 4.42Å; I490-I513 HydrophobicContact CG2-CG2 3.87Å; Y510-I513 HydrophobicContact CD1-CD1 3.84Å; Y510-I513 PolarHBondContact O-N 3.28Å; N511-I513 VanDerWaalsContact C-N 3.3Å; N511-I513 PolarHBondContact O-N 3.07Å; I513-K515 VanDerWaalsContact C-N 3.28Å; I513-K515 PolarHBondContact O-N 3.1Å; I513-K516 WeakPolarHBondContact O-CA 3.47Å; I513-K516 WeakPolarHBondContact O-CB 3.43Å; I513-K516 PolarHBondContact O-N 2.8Å; I513-L517 HydrophobicContact CG2-CD1 4.14Å; I513-L517 HydrophobicContact CG2-CG 4.21Å; I513-L517 WeakPolarHBondContact O-CG 3.49Å; I513-L517 PolarHBondContact O-N 3.26Å
514F94.5Very high90.7Very high0 Ų046.2 Ų46.20%023%0.231CC..Hα-helixtrans-56.4-41.6177-82.6-66.4000112.7I490 Y506 L507 Y510 N511 K516 L517 H518 F549 I551 Y552 I555I490-F514 HydrophobicContact CB-CZ 4.37Å; I490-F514 HydrophobicContact CD1-CE1 4.17Å; I490-F514 HydrophobicContact CD1-CZ 3.96Å; I490-F514 HydrophobicContact CG2-CE1 4.5Å; I490-F514 HydrophobicContact CG2-CE2 4.32Å; I490-F514 HydrophobicContact CG2-CZ 4.15Å; Y506-F514 AromaticContact CE1-CE2 3.75Å; Y506-F514 HydrophobicContact CE1-CE2 3.75Å; Y506-F514 AromaticContact CE1-CZ 3.96Å; Y506-F514 HydrophobicContact CE1-CZ 3.96Å; L507-F514 HydrophobicContact CD2-CD2 4.04Å; L507-F514 HydrophobicContact CD2-CE2 3.81Å; L507-F514 HydrophobicContact CD2-CZ 4.34Å; Y510-F514 WeakPolarHBondContact O-CD2 3.39Å; Y510-F514 PolarHBondContact O-N 2.84Å; N511-F514 PolarHBondContact O-N 3.28Å; F514-K516 VanDerWaalsContact C-N 3.32Å; F514-K516 PolarHBondContact O-N 3.06Å; F514-L517 PolarHBondContact O-N 3.44Å; F514-H518 WeakPolarHBondContact O-CB 3.25Å; F514-H518 PolarHBondContact O-N 3.37Å; F514-F549 HydrophobicContact CE1-CD1 4.36Å; F514-I551 HydrophobicContact CE1-CG1 4.27Å; F514-I551 HydrophobicContact CZ-CD1 3.9Å; F514-I551 HydrophobicContact CZ-CG1 3.96Å; F514-Y552 HydrophobicContact CB-CD1 3.73Å; F514-Y552 HydrophobicContact CB-CD2 3.75Å; F514-Y552 HydrophobicContact CB-CE1 3.95Å; F514-Y552 HydrophobicContact CB-CE2 3.98Å; F514-Y552 HydrophobicContact CB-CG 3.61Å; F514-Y552 VanDerWaalsContact CD1-CB 3.49Å; F514-Y552 HydrophobicContact CD1-CD1 4.34Å; F514-Y552 AromaticContact CD1-CG 3.93Å; F514-Y552 HydrophobicContact CD1-CG 3.93Å; F514-Y552 HydrophobicContact CG-CD1 4.32Å; F514-Y552 HydrophobicContact CG-CD2 4.06Å; F514-Y552 AromaticContact CG-CG 3.83Å; F514-Y552 HydrophobicContact CG-CG 3.83Å; F514-I555 HydrophobicContact CD1-CD1 4.23Å
515K95.7Very high91.7Very high109 Ų10940.1 Ų40.147%0.47421%0.205SC..Hα-helixtrans-57.8-43.1172.8-76.3179.5179.4-174.30112.3N511 I513 H518 T519 Y552N511-K515 WeakPolarHBondContact O-CB 3.21Å; N511-K515 WeakPolarHBondContact O-CG 3.08Å; N511-K515 PolarHBondContact O-N 3.19Å; I513-K515 VanDerWaalsContact C-N 3.28Å; I513-K515 PolarHBondContact O-N 3.1Å; K515-H518 PolarHBondContact O-N 3.32Å; K515-T519 WeakPolarHBondContact O-CB 3.19Å; K515-T519 PolarHBondContact O-N 3.03Å; K515-T519 PolarHBondContact O-OG1 2.8Å; K515-Y552 VanDerWaalsContact CG-OH 3.24Å; K515-Y552 WeakPolarHBondContact CG-OH 3.49Å
516K96.5Very high92.7Very high55 Ų5537 Ų3724%0.23919%0.188CC..Hα-helixtrans-66.9-43.1177-68.1169.9179.2178.70111.9C457 L462 T512 I513 F514 H518 T519 I520C457-K516 VanDerWaalsContact O-CD 3.29Å; C457-K516 WeakPolarHBondContact O-CD 3.2Å; C457-K516 WeakPolarHBondContact O-CE 3.38Å; C457-K516 PolarHBondContact O-NZ 3.13Å; L462-K516 HydrophobicContact CD1-CB 3.83Å; L462-K516 HydrophobicContact CD1-CD 4.26Å; T512-K516 WeakPolarHBondContact O-CG 3.4Å; T512-K516 PolarHBondContact O-N 2.92Å; I513-K516 WeakPolarHBondContact O-CA 3.47Å; I513-K516 WeakPolarHBondContact O-CB 3.43Å; I513-K516 PolarHBondContact O-N 2.8Å; F514-K516 VanDerWaalsContact C-N 3.32Å; F514-K516 PolarHBondContact O-N 3.06Å; K516-H518 VanDerWaalsContact C-N 3.31Å; K516-H518 PolarHBondContact O-N 3.37Å; K516-T519 WeakPolarHBondContact O-CB 3.14Å; K516-T519 PolarHBondContact O-N 2.82Å; K516-T519 VanDerWaalsContact O-N 3.11Å; K516-I520 PolarHBondContact O-N 3.32Å
517L96.9Very high93.5Very high0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-63.1-36.9177.2-64.2-179.9000112.3L462 F486 I490 I513 F514 I520 N521 L522 F549 I555L462-L517 HydrophobicContact CD1-CD2 4.42Å; F486-L517 HydrophobicContact CD1-CD2 3.53Å; F486-L517 HydrophobicContact CE1-CD2 3.93Å; F486-L517 HydrophobicContact CG-CD2 4.39Å; I490-L517 HydrophobicContact CG2-CD1 4.18Å; I513-L517 HydrophobicContact CG2-CD1 4.14Å; I513-L517 HydrophobicContact CG2-CG 4.21Å; I513-L517 WeakPolarHBondContact O-CG 3.49Å; I513-L517 PolarHBondContact O-N 3.26Å; F514-L517 PolarHBondContact O-N 3.44Å; L517-I520 HydrophobicContact CD2-CD1 4.12Å; L517-I520 VanDerWaalsContact O-CG1 3.31Å; L517-I520 WeakPolarHBondContact O-CG1 3.49Å; L517-N521 PolarHBondContact O-N 3.31Å; L517-L522 HydrophobicContact CD2-CD2 4.13Å; L517-L522 PolarHBondContact O-N 2.81Å; L517-F549 HydrophobicContact CD1-CD1 3.89Å; L517-F549 HydrophobicContact CD1-CE1 3.76Å; L517-I555 HydrophobicContact CB-CD1 4.43Å
518H96.7Very high94.1Very high72 Ų7239 Ų3933%0.33320%0.197SC..Hα-helixtrans-64.5-46.9169.7175.3-105.4000111.2F514 K515 K516 I520 N521 Y552 I555F514-H518 WeakPolarHBondContact O-CB 3.25Å; F514-H518 PolarHBondContact O-N 3.37Å; K515-H518 PolarHBondContact O-N 3.32Å; K516-H518 VanDerWaalsContact C-N 3.31Å; K516-H518 PolarHBondContact O-N 3.37Å; H518-I520 PolarHBondContact O-N 3.27Å; H518-N521 WeakPolarHBondContact O-CA 3.17Å; H518-N521 PolarHBondContact O-N 3.47Å; H518-Y552 HydrophobicContact CB-CE1 4.43Å; H518-I555 HydrophobicContact CB-CD1 4.38Å; H518-I555 HydrophobicContact CB-CG1 4.01Å
519T97.1Very high94.7Very high92 Ų9232.8 Ų32.856%0.56417%0.168SC*.Hα-helixtrans-60.9-40.4-178.2-53.40000112.6I459 K515 K516 N521I459-T519 HydrophobicContact CD1-CG2 3.59Å; K515-T519 WeakPolarHBondContact O-CB 3.19Å; K515-T519 PolarHBondContact O-N 3.03Å; K515-T519 PolarHBondContact O-OG1 2.8Å; K516-T519 WeakPolarHBondContact O-CB 3.14Å; K516-T519 PolarHBondContact O-N 2.82Å; K516-T519 VanDerWaalsContact O-N 3.11Å; T519-N521 PolarHBondContact O-N 2.79Å
520I96.8Very high95.4Very high9 Ų931.2 Ų31.25%0.04616%0.158CC..THydrogen-bonded Turntrans-76-4.6176.568.6178.7000113.2I459 L462 L466 F486 K516 L517 H518 L522I459-I520 HydrophobicContact CD1-CG2 4.44Å; I459-I520 HydrophobicContact CG1-CG2 3.8Å; L462-I520 HydrophobicContact CB-CD1 3.82Å; L462-I520 HydrophobicContact CB-CG2 4.34Å; L466-I520 HydrophobicContact CD2-CB 4.21Å; L466-I520 HydrophobicContact CD2-CD1 4.36Å; L466-I520 HydrophobicContact CD2-CG1 4.14Å; L466-I520 WeakPolarHBondContact CD2-O 3.33Å; F486-I520 HydrophobicContact CE1-CD1 3.87Å; F486-I520 HydrophobicContact CZ-CD1 4.05Å; K516-I520 PolarHBondContact O-N 3.32Å; L517-I520 HydrophobicContact CD2-CD1 4.12Å; L517-I520 VanDerWaalsContact O-CG1 3.31Å; L517-I520 WeakPolarHBondContact O-CG1 3.49Å; H518-I520 PolarHBondContact O-N 3.27Å; I520-L522 HydrophobicContact CD1-CB 4.44Å; I520-L522 HydrophobicContact CG1-CB 4.31Å
521N96.1Very high95.8Very high50 Ų5035 Ų3527%0.26718%0.179SC..THydrogen-bonded Turntrans6345.1-179.4-165.17.3000113.9L517 H518 T519 C523 H524 Q558L517-N521 PolarHBondContact O-N 3.31Å; H518-N521 WeakPolarHBondContact O-CA 3.17Å; H518-N521 PolarHBondContact O-N 3.47Å; T519-N521 PolarHBondContact O-N 2.79Å; N521-C523 PolarHBondContact O-N 2.82Å; N521-H524 PolarHBondContact O-N 2.93Å; N521-H524 WeakPolarHBondContact OD1-CB 3.2Å; N521-H524 PolarHBondContact OD1-N 2.77Å; N521-Q558 PolarHBondContact OD1-NE2 2.93Å
522L97.6Very high95.9Very high2 Ų233.4 Ų33.41%0.0117%0.172CC..Hα-helixtrans-61-33.8176.5176.861.6000112.3L466 L483 F486 L517 I520 H524 H525 L526 F549L466-L522 HydrophobicContact CD1-CD1 3.93Å; L483-L522 HydrophobicContact CD2-CD1 4.34Å; F486-L522 HydrophobicContact CB-CD2 4.11Å; F486-L522 HydrophobicContact CD1-CD2 4.35Å; F486-L522 HydrophobicContact CD2-CD1 3.8Å; F486-L522 HydrophobicContact CD2-CD2 4.05Å; F486-L522 HydrophobicContact CE2-CD1 3.78Å; F486-L522 HydrophobicContact CG-CD1 4.49Å; F486-L522 HydrophobicContact CG-CD2 3.93Å; F486-L522 HydrophobicContact CZ-CD1 4.45Å; L517-L522 HydrophobicContact CD2-CD2 4.13Å; L517-L522 PolarHBondContact O-N 2.81Å; I520-L522 HydrophobicContact CD1-CB 4.44Å; I520-L522 HydrophobicContact CG1-CB 4.31Å; L522-H524 VanDerWaalsContact C-N 3.34Å; L522-H524 PolarHBondContact O-N 3.02Å; L522-H525 PolarHBondContact O-N 2.8Å; L522-L526 HydrophobicContact CG-CD1 4.16Å; L522-L526 PolarHBondContact O-N 3.17Å; L522-L526 VanDerWaalsContact O-N 3.13Å; L522-F549 HydrophobicContact CD2-CD1 4.3Å; L522-F549 HydrophobicContact CD2-CD2 4.32Å; L522-F549 HydrophobicContact CD2-CE1 4.02Å; L522-F549 HydrophobicContact CD2-CE2 4.04Å; L522-F549 HydrophobicContact CD2-CG 4.45Å; L522-F549 HydrophobicContact CD2-CZ 3.88Å
523C97.6Very high95.5Very high2 Ų236.3 Ų36.31%0.01419%0.189CC..Hα-helixtrans-57.6-44.9180-175.20000112.3N521 H525 L526 I527 I555 Q558N521-C523 PolarHBondContact O-N 2.82Å; C523-H525 VanDerWaalsContact C-N 3.31Å; C523-H525 PolarHBondContact O-N 2.75Å; C523-L526 PolarHBondContact O-N 3Å; C523-I527 WeakPolarHBondContact O-CG1 3.35Å; C523-I527 PolarHBondContact O-N 2.91Å; C523-I555 HydrophobicContact CB-CG2 4.03Å; C523-Q558 HydrophobicContact CB-CG 4.35Å; C523-Q558 VanDerWaalsContact CB-OE1 3.24Å
524H96.9Very high95.2Very high57 Ų5742.9 Ų42.926%0.26423%0.23SC..Hα-helixtrans-59.9-42.3179.2179.854.7000112.2N521 L522 L526 I527 E528N521-H524 PolarHBondContact O-N 2.93Å; N521-H524 WeakPolarHBondContact OD1-CB 3.2Å; N521-H524 PolarHBondContact OD1-N 2.77Å; L522-H524 VanDerWaalsContact C-N 3.34Å; L522-H524 PolarHBondContact O-N 3.02Å; H524-L526 PolarHBondContact O-N 3.24Å; H524-I527 PolarHBondContact O-N 2.76Å; H524-E528 IonicContact CD2-OE1 3.02Å; H524-E528 IonicContact CE1-OE1 2.67Å; H524-E528 IonicContact NE2-OE1 3.41Å; H524-E528 PolarHBondContact NE2-OE1 2.88Å; H524-E528 WeakPolarHBondContact O-CG 3.32Å; H524-E528 PolarHBondContact O-N 3.18Å
525H97.8Very high95.1Very high0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-63.8-40.5176.6-173.982.4000112.3L466 K470 Q479 L522 C523 I527 E528 L529L466-H525 HydrophobicContact CD1-CB 3.66Å; K470-H525 VanDerWaalsContact CG-ND1 3.32Å; K470-H525 WeakPolarHBondContact CG-ND1 3.34Å; Q479-H525 PolarHBondContact OE1-NE2 3.26Å; L522-H525 PolarHBondContact O-N 2.8Å; C523-H525 VanDerWaalsContact C-N 3.31Å; C523-H525 PolarHBondContact O-N 2.75Å; H525-I527 VanDerWaalsContact C-N 3.31Å; H525-I527 PolarHBondContact O-N 2.81Å; H525-E528 IonicContact ND1-OE2 2.77Å; H525-E528 WeakPolarHBondContact O-CB 3.08Å; H525-E528 PolarHBondContact O-N 3.14Å; H525-L529 WeakPolarHBondContact O-CG 3.23Å; H525-L529 PolarHBondContact O-N 2.93Å; H525-L529 VanDerWaalsContact O-N 3.1Å
526L97.9Very high94.9Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-60.7-42.4174.4-74.1163.1000111.1L483 L522 C523 H524 E528 L529 L530 L546 F549L483-L526 HydrophobicContact CD1-CD2 3.9Å; L483-L526 HydrophobicContact CD2-CD2 3.6Å; L483-L526 HydrophobicContact CD2-CG 4.34Å; L483-L526 HydrophobicContact CG-CD2 4.42Å; L522-L526 HydrophobicContact CG-CD1 4.16Å; L522-L526 PolarHBondContact O-N 3.17Å; L522-L526 VanDerWaalsContact O-N 3.13Å; C523-L526 PolarHBondContact O-N 3Å; H524-L526 PolarHBondContact O-N 3.24Å; L526-E528 VanDerWaalsContact C-N 3.35Å; L526-L529 HydrophobicContact CD2-CD1 4.49Å; L526-L529 WeakPolarHBondContact O-CB 3.35Å; L526-L529 PolarHBondContact O-N 2.97Å; L526-L529 VanDerWaalsContact O-N 3.13Å; L526-L530 WeakPolarHBondContact O-CD1 3.35Å; L526-L530 PolarHBondContact O-N 2.9Å; L526-L546 HydrophobicContact CB-CD1 3.97Å; L526-L546 HydrophobicContact CD1-CD1 4.18Å; L526-F549 HydrophobicContact CD1-CD2 3.54Å; L526-F549 HydrophobicContact CD1-CE2 3.98Å; L526-F549 HydrophobicContact CD1-CG 4.5Å
527I97.2Very high94.9Very high7 Ų745 Ų454%0.03624%0.243CC..Hα-helixtrans-66-36.3176.9-63.7165.3000111.6C523 H524 H525 L529 L530 N531 A559 K562 T564 I567C523-I527 WeakPolarHBondContact O-CG1 3.35Å; C523-I527 PolarHBondContact O-N 2.91Å; H524-I527 PolarHBondContact O-N 2.76Å; H525-I527 VanDerWaalsContact C-N 3.31Å; H525-I527 PolarHBondContact O-N 2.81Å; I527-L529 VanDerWaalsContact C-N 3.27Å; I527-L529 PolarHBondContact O-N 2.9Å; I527-L530 WeakPolarHBondContact O-CB 3.49Å; I527-L530 PolarHBondContact O-N 3.42Å; I527-L530 VanDerWaalsContact O-N 3.13Å; I527-N531 PolarHBondContact O-N 2.89Å; I527-N531 PolarHBondContact O-ND2 2.95Å; I527-A559 HydrophobicContact CD1-CB 4.42Å; I527-K562 HydrophobicContact CD1-CB 3.67Å; I527-K562 HydrophobicContact CD1-CG 4.08Å; I527-T564 WeakPolarHBondContact CD1-OG1 3.31Å; I527-I567 HydrophobicContact CG2-CD1 4.04Å
528E96.2Very high94.8Very high64 Ų6445.1 Ų45.130%0.29924%0.243SC..Hα-helixtrans-57.9-40.8170.8-72.1176.3161.800111.4H524 H525 L526 L530 N531 C532H524-E528 IonicContact CD2-OE1 3.02Å; H524-E528 IonicContact CE1-OE1 2.67Å; H524-E528 IonicContact NE2-OE1 3.41Å; H524-E528 PolarHBondContact NE2-OE1 2.88Å; H524-E528 WeakPolarHBondContact O-CG 3.32Å; H524-E528 PolarHBondContact O-N 3.18Å; H525-E528 IonicContact ND1-OE2 2.77Å; H525-E528 WeakPolarHBondContact O-CB 3.08Å; H525-E528 PolarHBondContact O-N 3.14Å; L526-E528 VanDerWaalsContact C-N 3.35Å; E528-L530 VanDerWaalsContact C-N 3.32Å; E528-L530 PolarHBondContact O-N 3.02Å; E528-N531 PolarHBondContact O-N 3.27Å; E528-N531 VanDerWaalsContact O-N 3.11Å; E528-C532 PolarHBondContact O-N 2.79Å; E528-C532 PolarHBondContact O-SG 2.82Å
529L97.1Very high94.7Very high0 Ų042.1 Ų42.10%023%0.23CC..Hα-helixtrans-63.8-34.6175-61.9177.8000113.1L473 Q479 L483 H525 L526 I527 N531 C532 M538 I541L473-L529 HydrophobicContact CD1-CD2 3.62Å; Q479-L529 HydrophobicContact CG-CD2 4.11Å; L483-L529 HydrophobicContact CD1-CD1 4.07Å; H525-L529 WeakPolarHBondContact O-CG 3.23Å; H525-L529 PolarHBondContact O-N 2.93Å; H525-L529 VanDerWaalsContact O-N 3.1Å; L526-L529 HydrophobicContact CD2-CD1 4.49Å; L526-L529 WeakPolarHBondContact O-CB 3.35Å; L526-L529 PolarHBondContact O-N 2.97Å; L526-L529 VanDerWaalsContact O-N 3.13Å; I527-L529 VanDerWaalsContact C-N 3.27Å; I527-L529 PolarHBondContact O-N 2.9Å; L529-N531 PolarHBondContact O-N 3.14Å; L529-C532 WeakPolarHBondContact O-CB 3.37Å; L529-C532 PolarHBondContact O-N 3.15Å; L529-M538 HydrophobicContact CD2-CB 4.44Å; L529-M538 HydrophobicContact CD2-SD 4.22Å; L529-I541 HydrophobicContact CD1-CG2 4.4Å
530L96.6Very high94.7Very high3 Ų339.3 Ų39.32%0.01621%0.21CC..Hα-helixtrans-66.4-28.5175.1-83.567.8000111.7L526 I527 E528 L546 T564 I567 L571L526-L530 WeakPolarHBondContact O-CD1 3.35Å; L526-L530 PolarHBondContact O-N 2.9Å; I527-L530 WeakPolarHBondContact O-CB 3.49Å; I527-L530 PolarHBondContact O-N 3.42Å; I527-L530 VanDerWaalsContact O-N 3.13Å; E528-L530 VanDerWaalsContact C-N 3.32Å; E528-L530 PolarHBondContact O-N 3.02Å; L530-L546 HydrophobicContact CD1-CD2 4.11Å; L530-L546 HydrophobicContact CD2-CD2 3.68Å; L530-T564 HydrophobicContact CD2-CG2 4.46Å; L530-I567 HydrophobicContact CB-CG2 3.93Å; L530-I567 HydrophobicContact CD2-CG2 4.12Å; L530-L571 HydrophobicContact CB-CD1 4.24Å; L530-L571 HydrophobicContact CD2-CD1 4.44Å; L530-L571 HydrophobicContact CG-CD1 4.19Å
531N94.4Very high94.6Very high89 Ų8939.1 Ų39.148%0.47621%0.208SC..THydrogen-bonded Turntrans-88.62179.5-68.3-35.4000113.6I527 E528 L529 T533I527-N531 PolarHBondContact O-N 2.89Å; I527-N531 PolarHBondContact O-ND2 2.95Å; E528-N531 PolarHBondContact O-N 3.27Å; E528-N531 VanDerWaalsContact O-N 3.11Å; L529-N531 PolarHBondContact O-N 3.14Å; N531-T533 PolarHBondContact O-N 2.93Å
532C91.3Very high94.6Very high23 Ų2336.7 Ų36.716%0.15520%0.196CC..  trans-73.968.4175.8-73.90000112.1E528 L529 T534 N535 M538E528-C532 PolarHBondContact O-N 2.79Å; E528-C532 PolarHBondContact O-SG 2.82Å; L529-C532 WeakPolarHBondContact O-CB 3.37Å; L529-C532 PolarHBondContact O-N 3.15Å; C532-T534 PolarHBondContact O-N 3.18Å; C532-N535 PolarHBondContact O-N 3.28Å; C532-M538 HydrophobicContact CB-CB 3.88Å
533T83.8Confident94.5Very high127 Ų12736.6 Ų36.678%0.77920%0.195SC*.THydrogen-bonded Turntrans-56.3-25-175.554.30000114.6N531N531-T533 PolarHBondContact O-N 2.93Å
534T85.5Confident94.3Very high140 Ų14037.1 Ų37.186%0.85920%0.199SC*.THydrogen-bonded Turntrans-83.2-15.1179.956.20000114C532C532-T534 PolarHBondContact O-N 3.18Å
535N91.1Very high94.3Very high48 Ų4835.7 Ų35.726%0.25719%0.191SC..  trans-134.696.2-175.2-170.2-23.6000111.7C532 E537 M538 I539C532-N535 PolarHBondContact O-N 3.28Å; N535-E537 PolarHBondContact O-N 3.13Å; N535-E537 WeakPolarHBondContact OD1-CB 3.44Å; N535-E537 PolarHBondContact OD1-N 2.9Å; N535-E537 VanDerWaalsContact OD1-N 3.13Å; N535-M538 HydrophobicContact CB-CB 4.31Å; N535-M538 HydrophobicContact CB-CG 3.93Å; N535-M538 WeakPolarHBondContact O-CB 3.24Å; N535-M538 PolarHBondContact O-N 2.83Å; N535-M538 PolarHBondContact OD1-N 3.39Å; N535-I539 PolarHBondContact O-N 2.93Å
536K92.7Very high94.1Very high85 Ų8535.7 Ų35.737%0.3719%0.191SC..Hα-helixtrans-57.5-33.4-179.7-163.5-179-163.1-166.40113.7M538 I539 K540 N575 D578K536-M538 VanDerWaalsContact C-N 3.31Å; K536-M538 PolarHBondContact O-N 2.88Å; K536-I539 WeakPolarHBondContact O-CB 3.32Å; K536-I539 PolarHBondContact O-N 3.42Å; K536-K540 WeakPolarHBondContact O-CG 3.49Å; K536-K540 PolarHBondContact O-N 3.16Å; K536-N575 WeakPolarHBondContact CE-OD1 3.49Å; K536-D578 WeakPolarHBondContact CE-OD2 3.38Å; K536-D578 IonicContact NZ-OD2 3.89Å; K536-D578 PolarHBondContact NZ-OD2 2.79Å
537E94.8Very high93.9Very high75 Ų7537.2 Ų37.235%0.3520%0.197SC..Hα-helixtrans-67.9-32.7178.6-68.6-61.7119.700111.8V476 N535 K540 I541V476-E537 HydrophobicContact CG2-CB 4.44Å; N535-E537 PolarHBondContact O-N 3.13Å; N535-E537 WeakPolarHBondContact OD1-CB 3.44Å; N535-E537 PolarHBondContact OD1-N 2.9Å; N535-E537 VanDerWaalsContact OD1-N 3.13Å; E537-K540 PolarHBondContact O-N 3.18Å; E537-K540 WeakPolarHBondContact OE1-CD 3.23Å; E537-K540 IonicContact OE1-NZ 3.29Å; E537-K540 PolarHBondContact OE1-NZ 2.75Å; E537-I541 WeakPolarHBondContact O-CB 3.4Å; E537-I541 VanDerWaalsContact O-CG1 3.26Å; E537-I541 WeakPolarHBondContact O-CG1 3.17Å; E537-I541 PolarHBondContact O-N 3.38Å
538M95.2Very high93.5Very high2 Ų238.3 Ų38.31%0.0120%0.202CC..Hα-helixtrans-66.5-41.8173-66.3-60.7-168.400111.9L473 Q474 V476 Q479 L529 C532 N535 K536 K540 I541 G542L473-M538 WeakPolarHBondContact O-CE 3.45Å; Q474-M538 VanDerWaalsContact O-CE 3.25Å; Q474-M538 WeakPolarHBondContact O-CE 3.14Å; V476-M538 VanDerWaalsContact CA-CE 3.47Å; V476-M538 HydrophobicContact CB-CE 4.17Å; V476-M538 HydrophobicContact CG2-CE 3.65Å; V476-M538 HydrophobicContact CG2-SD 4.13Å; Q479-M538 HydrophobicContact CB-SD 4.16Å; Q479-M538 HydrophobicContact CG-CE 3.86Å; Q479-M538 HydrophobicContact CG-SD 3.68Å; L529-M538 HydrophobicContact CD2-CB 4.44Å; L529-M538 HydrophobicContact CD2-SD 4.22Å; C532-M538 HydrophobicContact CB-CB 3.88Å; N535-M538 HydrophobicContact CB-CB 4.31Å; N535-M538 HydrophobicContact CB-CG 3.93Å; N535-M538 WeakPolarHBondContact O-CB 3.24Å; N535-M538 PolarHBondContact O-N 2.83Å; N535-M538 PolarHBondContact OD1-N 3.39Å; K536-M538 VanDerWaalsContact C-N 3.31Å; K536-M538 PolarHBondContact O-N 2.88Å; M538-K540 VanDerWaalsContact C-N 3.34Å; M538-K540 PolarHBondContact O-N 2.98Å; M538-I541 PolarHBondContact O-N 3.27Å; M538-G542 PolarHBondContact O-N 3.19Å
539I95.8Very high93.4Very high10 Ų1035.4 Ų35.45%0.05119%0.188CC..Hα-helixtrans-59.3-47.8176.6-62.6174.3000110.1N535 K536 I541 G542 I543 L571 I581N535-I539 PolarHBondContact O-N 2.93Å; K536-I539 WeakPolarHBondContact O-CB 3.32Å; K536-I539 PolarHBondContact O-N 3.42Å; I539-I541 PolarHBondContact O-N 2.95Å; I539-G542 PolarHBondContact O-N 3.01Å; I539-I543 WeakPolarHBondContact O-CB 3.32Å; I539-I543 VanDerWaalsContact O-CG2 3.32Å; I539-I543 WeakPolarHBondContact O-CG2 3.29Å; I539-I543 PolarHBondContact O-N 2.77Å; I539-L571 HydrophobicContact CD1-CD2 4.07Å; I539-L571 HydrophobicContact CG2-CD1 3.73Å; I539-L571 HydrophobicContact CG2-CD2 3.81Å; I539-L571 HydrophobicContact CG2-CG 4.36Å; I539-I581 HydrophobicContact CG2-CD1 4.44Å
540K95.9Very high93.2Very high33 Ų3335.4 Ų35.414%0.14319%0.188CC..Hα-helixtrans-59.8-43.8176.9-73.5170.9173.4-177.50112.7K536 E537 M538 I543 S544 D578 E580 I581K536-K540 WeakPolarHBondContact O-CG 3.49Å; K536-K540 PolarHBondContact O-N 3.16Å; E537-K540 PolarHBondContact O-N 3.18Å; E537-K540 WeakPolarHBondContact OE1-CD 3.23Å; E537-K540 IonicContact OE1-NZ 3.29Å; E537-K540 PolarHBondContact OE1-NZ 2.75Å; M538-K540 VanDerWaalsContact C-N 3.34Å; M538-K540 PolarHBondContact O-N 2.98Å; K540-I543 WeakPolarHBondContact O-CG2 3.4Å; K540-S544 WeakPolarHBondContact O-CB 3.16Å; K540-S544 PolarHBondContact O-N 3.3Å; K540-S544 PolarHBondContact O-OG 3.4Å; K540-D578 WeakPolarHBondContact CE-OD2 3.3Å; K540-D578 IonicContact NZ-OD2 3.14Å; K540-E580 WeakPolarHBondContact CD-OE2 2.99Å; K540-E580 HydrophobicContact CG-CG 4.5Å; K540-I581 HydrophobicContact CG-CG1 4.43Å
541I95.9Very high92.8Very high4 Ų436 Ų362%0.02119%0.191CC..Hα-helixtrans-62.4-50.2174.9-72.2170.2000110.3V476 Q479 R480 L483 L529 E537 M538 I539 I543 S544 Y545V476-I541 HydrophobicContact CG1-CD1 3.57Å; Q479-I541 HydrophobicContact CB-CG2 4.46Å; R480-I541 HydrophobicContact CB-CD1 4.29Å; L483-I541 HydrophobicContact CD1-CG2 3.36Å; L529-I541 HydrophobicContact CD1-CG2 4.4Å; E537-I541 WeakPolarHBondContact O-CB 3.4Å; E537-I541 VanDerWaalsContact O-CG1 3.26Å; E537-I541 WeakPolarHBondContact O-CG1 3.17Å; E537-I541 PolarHBondContact O-N 3.38Å; M538-I541 PolarHBondContact O-N 3.27Å; I539-I541 PolarHBondContact O-N 2.95Å; I541-I543 PolarHBondContact O-N 3.07Å; I541-S544 PolarHBondContact O-N 3.35Å; I541-S544 PolarHBondContact O-OG 3.36Å; I541-Y545 HydrophobicContact CG2-CD2 4.49Å; I541-Y545 VanDerWaalsContact O-CD2 3.31Å; I541-Y545 WeakPolarHBondContact O-CD2 3.38Å; I541-Y545 PolarHBondContact O-N 3.01Å
542G96.4Very high92.7Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-58.1-5118000000112.2M538 I539 S544 Y545 L546M538-G542 PolarHBondContact O-N 3.19Å; I539-G542 PolarHBondContact O-N 3.01Å; G542-S544 PolarHBondContact O-N 3.43Å; G542-Y545 PolarHBondContact O-N 2.73Å; G542-L546 WeakPolarHBondContact O-CB 3.3Å; G542-L546 PolarHBondContact O-N 2.87Å
543I95.5Very high92.8Very high0 Ų037.4 Ų37.40%019%0.191CC..Hα-helixtrans-67.4-35.2-176.9-157.6172000112.3I539 K540 I541 Y545 T568 I581 N584 V588I539-I543 WeakPolarHBondContact O-CB 3.32Å; I539-I543 VanDerWaalsContact O-CG2 3.32Å; I539-I543 WeakPolarHBondContact O-CG2 3.29Å; I539-I543 PolarHBondContact O-N 2.77Å; K540-I543 WeakPolarHBondContact O-CG2 3.4Å; I541-I543 PolarHBondContact O-N 3.07Å; I543-Y545 PolarHBondContact O-N 3.4Å; I543-T568 HydrophobicContact CD1-CG2 4.36Å; I543-I581 HydrophobicContact CD1-CG2 4.22Å; I543-N584 HydrophobicContact CB-CB 4.49Å; I543-N584 HydrophobicContact CG1-CB 4.12Å; I543-N584 HydrophobicContact CG2-CB 4.01Å; I543-V588 HydrophobicContact CG1-CG2 4.04Å
544S93.5Very high93.4Very high13 Ų1333.2 Ų33.29%0.09117%0.167CC..Hα-helixtrans-70.7-17.3179.167.20000114.3K540 I541 G542 W547 K548 N584K540-S544 WeakPolarHBondContact O-CB 3.16Å; K540-S544 PolarHBondContact O-N 3.3Å; K540-S544 PolarHBondContact O-OG 3.4Å; I541-S544 PolarHBondContact O-N 3.35Å; I541-S544 PolarHBondContact O-OG 3.36Å; G542-S544 PolarHBondContact O-N 3.43Å; S544-W547 PolarHBondContact O-NE1 2.8Å; S544-K548 VanDerWaalsContact O-CE 3.26Å; S544-K548 WeakPolarHBondContact O-CE 3.27Å; S544-K548 PolarHBondContact O-NZ 3.19Å; S544-N584 WeakPolarHBondContact CA-OD1 3.47Å
545Y95Very high93.9Very high26 Ų2626.6 Ų26.610%0.10213%0.126CC..Hα-helixtrans-106.9-27.4175.9-78.4-94.8000113.3L483 K487 I541 G542 I543 W547 K548 F549L483-Y545 HydrophobicContact CB-CD1 3.76Å; L483-Y545 HydrophobicContact CB-CD2 4.05Å; L483-Y545 HydrophobicContact CB-CE1 3.72Å; L483-Y545 HydrophobicContact CB-CE2 4.01Å; L483-Y545 HydrophobicContact CB-CG 3.92Å; L483-Y545 HydrophobicContact CD1-CD2 3.87Å; L483-Y545 HydrophobicContact CD1-CE2 4.4Å; L483-Y545 HydrophobicContact CD1-CG 3.98Å; L483-Y545 HydrophobicContact CG-CG 4.38Å; L483-Y545 VanDerWaalsContact O-CE1 3.27Å; L483-Y545 WeakPolarHBondContact O-CE1 3.47Å; K487-Y545 HydrophobicContact CB-CD1 4.2Å; K487-Y545 HydrophobicContact CB-CE1 3.67Å; K487-Y545 HydrophobicContact CD-CE1 3.9Å; K487-Y545 HydrophobicContact CG-CE1 4.24Å; I541-Y545 HydrophobicContact CG2-CD2 4.49Å; I541-Y545 VanDerWaalsContact O-CD2 3.31Å; I541-Y545 WeakPolarHBondContact O-CD2 3.38Å; I541-Y545 PolarHBondContact O-N 3.01Å; G542-Y545 PolarHBondContact O-N 2.73Å; I543-Y545 PolarHBondContact O-N 3.4Å; Y545-W547 PolarHBondContact O-N 2.9Å; Y545-K548 HydrophobicContact CD1-CD 4.31Å; Y545-K548 VanDerWaalsContact O-CB 3.26Å; Y545-K548 WeakPolarHBondContact O-CB 3.2Å; Y545-K548 PolarHBondContact O-N 2.93Å; Y545-K548 VanDerWaalsContact O-N 3.13Å; Y545-F549 HydrophobicContact CD1-CE2 4.33Å; Y545-F549 WeakPolarHBondContact O-CD2 3.44Å
546L95.6Very high94.1Very high0 Ų024.4 Ų24.40%011%0.114CC..Hα-helixtrans-57.3-48.5-174.3-177.757.2000114L526 L530 G542 K548 F549 C550 T564 V588L526-L546 HydrophobicContact CB-CD1 3.97Å; L526-L546 HydrophobicContact CD1-CD1 4.18Å; L530-L546 HydrophobicContact CD1-CD2 4.11Å; L530-L546 HydrophobicContact CD2-CD2 3.68Å; G542-L546 WeakPolarHBondContact O-CB 3.3Å; G542-L546 PolarHBondContact O-N 2.87Å; L546-K548 PolarHBondContact O-N 3.37Å; L546-F549 PolarHBondContact O-N 3.47Å; L546-F549 VanDerWaalsContact O-N 3.14Å; L546-C550 PolarHBondContact O-N 3.02Å; L546-C550 PolarHBondContact O-SG 3.33Å; L546-T564 HydrophobicContact CD2-CG2 3.51Å; L546-V588 HydrophobicContact CB-CG2 4.2Å; L546-V588 HydrophobicContact CD2-CG1 4.2Å; L546-V588 HydrophobicContact CD2-CG2 4.37Å; L546-V588 HydrophobicContact CG-CG2 4.36Å
547W91.8Very high94.3Very high33 Ų3323.2 Ų23.213%0.12511%0.112CC..Hα-helixtrans-63.3-30.2-178.969.5-96.9000112.6S544 Y545 F549 C550 I551 N584 M587 V588S544-W547 PolarHBondContact O-NE1 2.8Å; Y545-W547 PolarHBondContact O-N 2.9Å; W547-F549 PolarHBondContact O-N 3.29Å; W547-C550 PolarHBondContact O-N 3.17Å; W547-I551 PolarHBondContact O-N 3.42Å; W547-N584 PolarHBondContact NE1-OD1 3.4Å; W547-M587 HydrophobicContact CB-CB 3.91Å; W547-M587 HydrophobicContact CD2-CB 3.76Å; W547-M587 HydrophobicContact CD2-CG 4.43Å; W547-M587 HydrophobicContact CE3-CB 4.25Å; W547-M587 HydrophobicContact CE3-CE 4.14Å; W547-M587 HydrophobicContact CG-CB 3.6Å; W547-M587 HydrophobicContact CZ3-CE 4.19Å; W547-V588 HydrophobicContact CB-CB 4.43Å; W547-V588 HydrophobicContact CB-CG2 3.78Å
548K90.4Very high94.4Very high30 Ų3021.4 Ų21.413%0.1310%0.103CC..Hα-helixtrans-62.9-29178.1-67.7179-176.1137.20112.6I492 S544 Y545 L546 I551I492-K548 HydrophobicContact CD1-CB 3.46Å; I492-K548 VanDerWaalsContact CD1-CB 3.46Å; I492-K548 HydrophobicContact CD1-CD 4.22Å; I492-K548 HydrophobicContact CD1-CG 3.91Å; S544-K548 VanDerWaalsContact O-CE 3.26Å; S544-K548 WeakPolarHBondContact O-CE 3.27Å; S544-K548 PolarHBondContact O-NZ 3.19Å; Y545-K548 HydrophobicContact CD1-CD 4.31Å; Y545-K548 VanDerWaalsContact O-CB 3.26Å; Y545-K548 WeakPolarHBondContact O-CB 3.2Å; Y545-K548 PolarHBondContact O-N 2.93Å; Y545-K548 VanDerWaalsContact O-N 3.13Å; L546-K548 PolarHBondContact O-N 3.37Å; K548-I551 VanDerWaalsContact O-CD1 3.3Å; K548-I551 WeakPolarHBondContact O-CD1 2.99Å; K548-I551 VanDerWaalsContact O-CG1 3.3Å; K548-I551 WeakPolarHBondContact O-CG1 3.31Å
549F93.5Very high94.5Very high2 Ų221.3 Ų21.31%0.00910%0.103CC..Hα-helixtrans-96.2-27.7176.8-57.8-72000112.6F486 I490 F514 L517 L522 L526 Y545 L546 W547 I551 Y552 I555F486-F549 HydrophobicContact CB-CE1 4.35Å; F486-F549 HydrophobicContact CB-CZ 3.88Å; I490-F549 HydrophobicContact CD1-CD1 3.72Å; I490-F549 HydrophobicContact CD1-CE1 3.49Å; I490-F549 VanDerWaalsContact CD1-CE1 3.49Å; I490-F549 HydrophobicContact CD1-CZ 4.4Å; I490-F549 HydrophobicContact CG1-CE1 4.39Å; F514-F549 HydrophobicContact CE1-CD1 4.36Å; L517-F549 HydrophobicContact CD1-CD1 3.89Å; L517-F549 HydrophobicContact CD1-CE1 3.76Å; L522-F549 HydrophobicContact CD2-CD1 4.3Å; L522-F549 HydrophobicContact CD2-CD2 4.32Å; L522-F549 HydrophobicContact CD2-CE1 4.02Å; L522-F549 HydrophobicContact CD2-CE2 4.04Å; L522-F549 HydrophobicContact CD2-CG 4.45Å; L522-F549 HydrophobicContact CD2-CZ 3.88Å; L526-F549 HydrophobicContact CD1-CD2 3.54Å; L526-F549 HydrophobicContact CD1-CE2 3.98Å; L526-F549 HydrophobicContact CD1-CG 4.5Å; Y545-F549 HydrophobicContact CD1-CE2 4.33Å; Y545-F549 WeakPolarHBondContact O-CD2 3.44Å; L546-F549 PolarHBondContact O-N 3.47Å; L546-F549 VanDerWaalsContact O-N 3.14Å; W547-F549 PolarHBondContact O-N 3.29Å; F549-I551 PolarHBondContact O-N 3.35Å; F549-I551 VanDerWaalsContact O-N 3.11Å; F549-Y552 PolarHBondContact O-N 2.86Å; F549-I555 HydrophobicContact CB-CD1 4.29Å; F549-I555 HydrophobicContact CB-CG2 4.08Å
550C92.7Very high94.5Very high0 Ų021.7 Ų21.70%011%0.107CC..THydrogen-bonded Turntrans-68.5-2.7175-65.10000113.9L546 W547 Y552 A556L546-C550 PolarHBondContact O-N 3.02Å; L546-C550 PolarHBondContact O-SG 3.33Å; W547-C550 PolarHBondContact O-N 3.17Å; C550-Y552 PolarHBondContact O-N 2.84Å; C550-A556 HydrophobicContact CB-CB 4.22Å; C550-A556 WeakPolarHBondContact O-CB 3.29Å
551I89Confident94.5Very high16 Ų1625.6 Ų25.68%0.08213%0.13CC..THydrogen-bonded Turntrans-64.7-22.8165.664.7-176.1000112Y506 L507 F514 W547 K548 F549 R594Y506-I551 HydrophobicContact CD1-CD1 4.12Å; Y506-I551 HydrophobicContact CE1-CD1 3.45Å; Y506-I551 VanDerWaalsContact CE1-CD1 3.45Å; L507-I551 WeakPolarHBondContact CD1-O 3.18Å; L507-I551 HydrophobicContact CD2-CG1 4.18Å; F514-I551 HydrophobicContact CE1-CG1 4.27Å; F514-I551 HydrophobicContact CZ-CD1 3.9Å; F514-I551 HydrophobicContact CZ-CG1 3.96Å; W547-I551 PolarHBondContact O-N 3.42Å; K548-I551 VanDerWaalsContact O-CD1 3.3Å; K548-I551 WeakPolarHBondContact O-CD1 2.99Å; K548-I551 VanDerWaalsContact O-CG1 3.3Å; K548-I551 WeakPolarHBondContact O-CG1 3.31Å; F549-I551 PolarHBondContact O-N 3.35Å; F549-I551 VanDerWaalsContact O-N 3.11Å; I551-R594 PolarHBondContact O-NH1 3.06Å; I551-R594 PolarHBondContact O-NH2 3.07Å
552Y92.2Very high94.5Very high27 Ų2730.5 Ų30.511%0.10615%0.151CC..SBendtrans-89.2122172.6-173.3-118.7000110.8L507 N511 F514 K515 H518 F549 C550 P554 I555 A556L507-Y552 HydrophobicContact CD2-CD2 4.23Å; N511-Y552 WeakPolarHBondContact OD1-CE2 3.47Å; N511-Y552 PolarHBondContact OD1-OH 3.35Å; F514-Y552 HydrophobicContact CB-CD1 3.73Å; F514-Y552 HydrophobicContact CB-CD2 3.75Å; F514-Y552 HydrophobicContact CB-CE1 3.95Å; F514-Y552 HydrophobicContact CB-CE2 3.98Å; F514-Y552 HydrophobicContact CB-CG 3.61Å; F514-Y552 VanDerWaalsContact CD1-CB 3.49Å; F514-Y552 HydrophobicContact CD1-CD1 4.34Å; F514-Y552 AromaticContact CD1-CG 3.93Å; F514-Y552 HydrophobicContact CD1-CG 3.93Å; F514-Y552 HydrophobicContact CG-CD1 4.32Å; F514-Y552 HydrophobicContact CG-CD2 4.06Å; F514-Y552 AromaticContact CG-CG 3.83Å; F514-Y552 HydrophobicContact CG-CG 3.83Å; K515-Y552 VanDerWaalsContact CG-OH 3.24Å; K515-Y552 WeakPolarHBondContact CG-OH 3.49Å; H518-Y552 HydrophobicContact CB-CE1 4.43Å; F549-Y552 PolarHBondContact O-N 2.86Å; C550-Y552 PolarHBondContact O-N 2.84Å; Y552-P554 HydrophobicContact CD1-CB 4.05Å; Y552-P554 HydrophobicContact CD1-CG 4Å; Y552-P554 HydrophobicContact CE1-CB 3.68Å; Y552-P554 HydrophobicContact CE1-CG 3.43Å; Y552-P554 VanDerWaalsContact CE1-CG 3.43Å; Y552-P554 HydrophobicContact CE2-CG 4.44Å; Y552-I555 HydrophobicContact CD1-CB 4.46Å; Y552-I555 HydrophobicContact CD1-CD1 4.02Å; Y552-I555 HydrophobicContact CD1-CG1 4.01Å; Y552-I555 PolarHBondContact O-N 2.86Å; Y552-I555 VanDerWaalsContact O-N 3.08Å; Y552-A556 PolarHBondContact O-N 3.44Å
553E92.5Very high94.4Very high114 Ų11435.7 Ų35.753%0.53318%0.179SC..Hα-helixtrans-57.2-45.7-169.6174.4176-173.200114.5I555 A556 L557 I595E553-I555 VanDerWaalsContact C-N 3.29Å; E553-I555 PolarHBondContact O-N 2.83Å; E553-A556 PolarHBondContact O-N 3.41Å; E553-A556 VanDerWaalsContact O-N 3.1Å; E553-L557 HydrophobicContact CG-CD1 4.11Å; E553-L557 HydrophobicContact CG-CG 4.44Å; E553-L557 WeakPolarHBondContact O-CG 3.41Å; E553-L557 PolarHBondContact O-N 2.83Å; E553-I595 HydrophobicContact CG-CD1 3.94Å
554P95.8Very high94.4Very high40 Ų4035.7 Ų35.726%0.2618%0.179SC..Hα-helixtrans-56.9-37.5174.8-29.936.9000114.5Y552 Q558Y552-P554 HydrophobicContact CD1-CB 4.05Å; Y552-P554 HydrophobicContact CD1-CG 4Å; Y552-P554 HydrophobicContact CE1-CB 3.68Å; Y552-P554 HydrophobicContact CE1-CG 3.43Å; Y552-P554 VanDerWaalsContact CE1-CG 3.43Å; Y552-P554 HydrophobicContact CE2-CG 4.44Å; P554-Q558 WeakPolarHBondContact O-CB 3.28Å; P554-Q558 PolarHBondContact O-N 2.97Å
555I96.4Very high94.6Very high1 Ų135.5 Ų35.51%0.00518%0.176CC..Hα-helixtrans-71.8-38.6176.6-71.9170.4000110.6F514 L517 H518 C523 F549 Y552 E553 Q558 A559F514-I555 HydrophobicContact CD1-CD1 4.23Å; L517-I555 HydrophobicContact CB-CD1 4.43Å; H518-I555 HydrophobicContact CB-CD1 4.38Å; H518-I555 HydrophobicContact CB-CG1 4.01Å; C523-I555 HydrophobicContact CB-CG2 4.03Å; F549-I555 HydrophobicContact CB-CD1 4.29Å; F549-I555 HydrophobicContact CB-CG2 4.08Å; Y552-I555 HydrophobicContact CD1-CB 4.46Å; Y552-I555 HydrophobicContact CD1-CD1 4.02Å; Y552-I555 HydrophobicContact CD1-CG1 4.01Å; Y552-I555 PolarHBondContact O-N 2.86Å; Y552-I555 VanDerWaalsContact O-N 3.08Å; E553-I555 VanDerWaalsContact C-N 3.29Å; E553-I555 PolarHBondContact O-N 2.83Å; I555-Q558 PolarHBondContact O-N 3.04Å; I555-A559 WeakPolarHBondContact O-CB 3.35Å; I555-A559 PolarHBondContact O-N 2.72Å
556A95.5Very high94.7Very high1 Ų135.8 Ų35.81%0.00818%0.182CC..Hα-helixtrans-65.6-38.8175.200000112.6C550 Y552 E553 A559 A560 I595C550-A556 HydrophobicContact CB-CB 4.22Å; C550-A556 WeakPolarHBondContact O-CB 3.29Å; Y552-A556 PolarHBondContact O-N 3.44Å; E553-A556 PolarHBondContact O-N 3.41Å; E553-A556 VanDerWaalsContact O-N 3.1Å; A556-A559 PolarHBondContact O-N 3.23Å; A556-A560 WeakPolarHBondContact O-CB 3.5Å; A556-A560 PolarHBondContact O-N 2.99Å; A556-I595 HydrophobicContact CB-CD1 3.94Å; A556-I595 HydrophobicContact CB-CG1 3.91Å
557L96.8Very high94.7Very high61 Ų6136.9 Ų36.932%0.31919%0.188SC..Hα-helixtrans-59.6-49.5172-77.1166.6000110.6E553 A559 A560 D561 I595E553-L557 HydrophobicContact CG-CD1 4.11Å; E553-L557 HydrophobicContact CG-CG 4.44Å; E553-L557 WeakPolarHBondContact O-CG 3.41Å; E553-L557 PolarHBondContact O-N 2.83Å; L557-A559 VanDerWaalsContact C-N 3.29Å; L557-A559 PolarHBondContact O-N 3.47Å; L557-A560 WeakPolarHBondContact O-CA 3.34Å; L557-A560 WeakPolarHBondContact O-CB 3.35Å; L557-A560 PolarHBondContact O-N 3.39Å; L557-D561 PolarHBondContact O-N 2.74Å; L557-I595 HydrophobicContact CD2-CD1 3.98Å; L557-I595 HydrophobicContact CD2-CG1 4.36Å; L557-I595 HydrophobicContact CD2-CG2 3.54Å; L557-I595 HydrophobicContact CG-CD1 3.82Å; L557-I595 HydrophobicContact CG-CG1 4.47Å
558Q96.5Very high95Very high37 Ų3735.3 Ų35.317%0.17318%0.182CC..Hα-helixtrans-59-40.8177.2-172.2177.128.700112.7N521 C523 P554 I555 K562N521-Q558 PolarHBondContact OD1-NE2 2.93Å; C523-Q558 HydrophobicContact CB-CG 4.35Å; C523-Q558 VanDerWaalsContact CB-OE1 3.24Å; P554-Q558 WeakPolarHBondContact O-CB 3.28Å; P554-Q558 PolarHBondContact O-N 2.97Å; I555-Q558 PolarHBondContact O-N 3.04Å; Q558-K562 WeakPolarHBondContact O-CG 3.35Å; Q558-K562 PolarHBondContact O-N 3.41Å
559A97.2Very high95.3Very high0 Ų034.3 Ų34.30%018%0.179CC..Hα-helixtrans-65.7-40.3174.600000111.6I527 I555 A556 L557 K562 T564 L592I527-A559 HydrophobicContact CD1-CB 4.42Å; I555-A559 WeakPolarHBondContact O-CB 3.35Å; I555-A559 PolarHBondContact O-N 2.72Å; A556-A559 PolarHBondContact O-N 3.23Å; L557-A559 VanDerWaalsContact C-N 3.29Å; L557-A559 PolarHBondContact O-N 3.47Å; A559-K562 PolarHBondContact O-N 2.82Å; A559-T564 VanDerWaalsContact C-OG1 3.28Å; A559-T564 WeakPolarHBondContact CA-OG1 3.48Å; A559-T564 HydrophobicContact CB-CG2 4.4Å; A559-T564 WeakPolarHBondContact O-CB 3.43Å; A559-T564 PolarHBondContact O-N 3.37Å; A559-T564 PolarHBondContact O-OG1 2.84Å; A559-L592 HydrophobicContact CB-CD2 3.77Å
560A96.2Very high95.5Very high18 Ų1839.6 Ų39.615%0.14920%0.203CC..Hα-helixtrans-61.6-46.117700000111.8A556 L557 K562 N563 V598A556-A560 WeakPolarHBondContact O-CB 3.5Å; A556-A560 PolarHBondContact O-N 2.99Å; L557-A560 WeakPolarHBondContact O-CA 3.34Å; L557-A560 WeakPolarHBondContact O-CB 3.35Å; L557-A560 PolarHBondContact O-N 3.39Å; A560-K562 PolarHBondContact O-N 3.36Å; A560-K562 VanDerWaalsContact O-N 3.11Å; A560-N563 PolarHBondContact O-N 3.32Å; A560-V598 HydrophobicContact CB-CG2 3.47Å; A560-V598 VanDerWaalsContact CB-CG2 3.47Å
561D95.9Very high95.6Very high115 Ų11540.5 Ų40.562%0.61521%0.208SC*.Hα-helixtrans-60.6-23.3178.6-65.9-19.9000112.9L557L557-D561 PolarHBondContact O-N 2.74Å
562K95.1Very high96Very high107 Ų10739.8 Ų39.847%0.46520%0.204SC..THydrogen-bonded Turntrans-94.417.6177.2-66.6-64.6-175.5-1750113.7I527 Q558 A559 A560 T564I527-K562 HydrophobicContact CD1-CB 3.67Å; I527-K562 HydrophobicContact CD1-CG 4.08Å; Q558-K562 WeakPolarHBondContact O-CG 3.35Å; Q558-K562 PolarHBondContact O-N 3.41Å; A559-K562 PolarHBondContact O-N 2.82Å; A560-K562 PolarHBondContact O-N 3.36Å; A560-K562 VanDerWaalsContact O-N 3.11Å; K562-T564 PolarHBondContact O-N 3.41Å
563N94.6Very high96.2Very high108 Ų10841.9 Ų41.958%0.57822%0.215SC*.THydrogen-bonded Turntrans57.730179-64.4-41.6000114A560 L565 S566 I567A560-N563 PolarHBondContact O-N 3.32Å; N563-L565 PolarHBondContact O-N 3.49Å; N563-L565 VanDerWaalsContact O-N 3.16Å; N563-S566 WeakPolarHBondContact O-CB 3.39Å; N563-S566 PolarHBondContact O-N 2.83Å; N563-I567 PolarHBondContact O-N 2.99Å; N563-I567 VanDerWaalsContact O-N 3.16Å
564T97Very high96.3Very high0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-57.5-32.9-177.6-59.80000113.1I527 L530 L546 A559 K562 I567 T568 V588 L592I527-T564 WeakPolarHBondContact CD1-OG1 3.31Å; L530-T564 HydrophobicContact CD2-CG2 4.46Å; L546-T564 HydrophobicContact CD2-CG2 3.51Å; A559-T564 VanDerWaalsContact C-OG1 3.28Å; A559-T564 WeakPolarHBondContact CA-OG1 3.48Å; A559-T564 HydrophobicContact CB-CG2 4.4Å; A559-T564 WeakPolarHBondContact O-CB 3.43Å; A559-T564 PolarHBondContact O-N 3.37Å; A559-T564 PolarHBondContact O-OG1 2.84Å; K562-T564 PolarHBondContact O-N 3.41Å; T564-I567 PolarHBondContact O-N 3.23Å; T564-T568 WeakPolarHBondContact O-CB 3.48Å; T564-T568 PolarHBondContact O-N 3.45Å; T564-T568 PolarHBondContact O-OG1 3.03Å; T564-V588 HydrophobicContact CG2-CG1 3.92Å; T564-L592 HydrophobicContact CG2-CD1 3.9Å
565L96.7Very high96.2Very high9 Ų940.2 Ų40.25%0.04722%0.215CC..Hα-helixtrans-59.6-47.3175.2177.959.1000110.8N563 T568 T569 I589 L592 V598 I602 Y605N563-L565 PolarHBondContact O-N 3.49Å; N563-L565 VanDerWaalsContact O-N 3.16Å; L565-T568 PolarHBondContact O-N 2.88Å; L565-T569 PolarHBondContact O-N 3.45Å; L565-T569 PolarHBondContact O-OG1 2.85Å; L565-T569 VanDerWaalsContact O-OG1 3.1Å; L565-I589 HydrophobicContact CD1-CB 4.4Å; L565-I589 HydrophobicContact CD1-CD1 4.48Å; L565-I589 HydrophobicContact CD1-CG1 3.83Å; L565-I589 HydrophobicContact CD1-CG2 4.09Å; L565-L592 HydrophobicContact CB-CD1 4.08Å; L565-V598 HydrophobicContact CD2-CG1 3.64Å; L565-I602 HydrophobicContact CD1-CD1 4.44Å; L565-I602 HydrophobicContact CD2-CD1 3.82Å; L565-Y605 HydrophobicContact CD2-CD2 3.75Å; L565-Y605 HydrophobicContact CD2-CE2 3.32Å; L565-Y605 HydrophobicContact CG-CD2 4.26Å; L565-Y605 HydrophobicContact CG-CE1 4.28Å; L565-Y605 HydrophobicContact CG-CE2 3.76Å
566S96.6Very high96Very high32 Ų3244.2 Ų44.222%0.22423%0.233CC..Hα-helixtrans-60.7-47.6177.4-165.20000112.3N563 T568 T569 Q570 Y605N563-S566 WeakPolarHBondContact O-CB 3.39Å; N563-S566 PolarHBondContact O-N 2.83Å; S566-T568 VanDerWaalsContact C-N 3.3Å; S566-T568 PolarHBondContact O-N 3.19Å; S566-T569 PolarHBondContact O-N 2.97Å; S566-Q570 WeakPolarHBondContact O-CB 3.43Å; S566-Q570 VanDerWaalsContact O-CG 3.28Å; S566-Q570 WeakPolarHBondContact O-CG 3.46Å; S566-Q570 PolarHBondContact O-N 3.09Å; S566-Y605 WeakPolarHBondContact CB-OH 3.42Å; S566-Y605 PolarHBondContact N-OH 3.32Å
567I97.2Very high96Very high24 Ų2451.3 Ų51.312%0.12326%0.264CS..Hα-helixtrans-59.3-45.8179.1-61.8168.5000109.5I527 L530 N563 T564 Q570 L571I527-I567 HydrophobicContact CG2-CD1 4.04Å; L530-I567 HydrophobicContact CB-CG2 3.93Å; L530-I567 HydrophobicContact CD2-CG2 4.12Å; N563-I567 PolarHBondContact O-N 2.99Å; N563-I567 VanDerWaalsContact O-N 3.16Å; T564-I567 PolarHBondContact O-N 3.23Å; I567-Q570 PolarHBondContact O-N 2.92Å; I567-L571 HydrophobicContact CG2-CD1 4.01Å; I567-L571 HydrophobicContact CG2-CG 4.39Å; I567-L571 WeakPolarHBondContact O-CB 3.2Å; I567-L571 VanDerWaalsContact O-CG 3.24Å; I567-L571 WeakPolarHBondContact O-CG 3.3Å; I567-L571 PolarHBondContact O-N 3.05Å
568T97.3Very high95.9Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-63.9-46.4-179.1-56.60000111.9I543 T564 L565 S566 Q570 L571 M572 V588 I589I543-T568 HydrophobicContact CD1-CG2 4.36Å; T564-T568 WeakPolarHBondContact O-CB 3.48Å; T564-T568 PolarHBondContact O-N 3.45Å; T564-T568 PolarHBondContact O-OG1 3.03Å; L565-T568 PolarHBondContact O-N 2.88Å; S566-T568 VanDerWaalsContact C-N 3.3Å; S566-T568 PolarHBondContact O-N 3.19Å; T568-Q570 PolarHBondContact O-N 2.8Å; T568-L571 PolarHBondContact O-N 2.79Å; T568-M572 HydrophobicContact CG2-SD 4.23Å; T568-M572 WeakPolarHBondContact O-CG 3.48Å; T568-M572 PolarHBondContact O-N 3.09Å; T568-V588 HydrophobicContact CG2-CB 4.18Å; T568-V588 HydrophobicContact CG2-CG1 4.26Å; T568-V588 WeakPolarHBondContact OG1-CG1 3.32Å; T568-I589 HydrophobicContact CG2-CD1 4.23Å; T568-I589 HydrophobicContact CG2-CG1 3.95Å
569T97Very high95.9Very high9 Ų949.8 Ų49.86%0.05526%0.261CS..Hα-helixtrans-63-42.7178.2-57.40000111.6L565 S566 M572 E573 Y605 I611L565-T569 PolarHBondContact O-N 3.45Å; L565-T569 PolarHBondContact O-OG1 2.85Å; L565-T569 VanDerWaalsContact O-OG1 3.1Å; S566-T569 PolarHBondContact O-N 2.97Å; T569-M572 PolarHBondContact O-N 3.11Å; T569-E573 PolarHBondContact O-N 2.89Å; T569-Y605 HydrophobicContact CG2-CD1 4.26Å; T569-I611 HydrophobicContact CG2-CD1 3.67Å
570Q96.4Very high95.8Very high113 Ų11353 Ų5353%0.52828%0.276SS..Hα-helixtrans-62.3-42.8175.7-73.8172.9-700111.9S566 I567 T568 M572 E573 S574S566-Q570 WeakPolarHBondContact O-CB 3.43Å; S566-Q570 VanDerWaalsContact O-CG 3.28Å; S566-Q570 WeakPolarHBondContact O-CG 3.46Å; S566-Q570 PolarHBondContact O-N 3.09Å; I567-Q570 PolarHBondContact O-N 2.92Å; T568-Q570 PolarHBondContact O-N 2.8Å; Q570-M572 VanDerWaalsContact C-N 3.32Å; Q570-M572 PolarHBondContact O-N 3.05Å; Q570-E573 PolarHBondContact O-N 3.19Å; Q570-S574 WeakPolarHBondContact O-CB 3.4Å; Q570-S574 PolarHBondContact O-N 2.79Å; Q570-S574 PolarHBondContact O-OG 2.94Å; Q570-S574 VanDerWaalsContact O-OG 3.12Å
571L96.7Very high95.8Very high19 Ų1952.1 Ų52.110%0.09927%0.269CS..Hα-helixtrans-61.6-40.3176.4-74.6174.5000112.1L530 I539 I567 T568 S574 N575 I581L530-L571 HydrophobicContact CB-CD1 4.24Å; L530-L571 HydrophobicContact CD2-CD1 4.44Å; L530-L571 HydrophobicContact CG-CD1 4.19Å; I539-L571 HydrophobicContact CD1-CD2 4.07Å; I539-L571 HydrophobicContact CG2-CD1 3.73Å; I539-L571 HydrophobicContact CG2-CD2 3.81Å; I539-L571 HydrophobicContact CG2-CG 4.36Å; I567-L571 HydrophobicContact CG2-CD1 4.01Å; I567-L571 HydrophobicContact CG2-CG 4.39Å; I567-L571 WeakPolarHBondContact O-CB 3.2Å; I567-L571 VanDerWaalsContact O-CG 3.24Å; I567-L571 WeakPolarHBondContact O-CG 3.3Å; I567-L571 PolarHBondContact O-N 3.05Å; T568-L571 PolarHBondContact O-N 2.79Å; L571-S574 PolarHBondContact O-OG 3.32Å; L571-N575 VanDerWaalsContact O-CB 3.23Å; L571-N575 WeakPolarHBondContact O-CB 3.33Å; L571-N575 PolarHBondContact O-N 3.28Å; L571-N575 VanDerWaalsContact O-N 3.09Å; L571-N575 PolarHBondContact O-ND2 2.86Å; L571-I581 HydrophobicContact CB-CG2 4.27Å
572M97.4Very high95.9Very high1 Ų146.7 Ų46.71%0.00524%0.24CC..Hα-helixtrans-66.7-42.3175.6-67.9173.969.400111.5T568 T569 Q570 N575 I581 F582 I589 I611 L612T568-M572 HydrophobicContact CG2-SD 4.23Å; T568-M572 WeakPolarHBondContact O-CG 3.48Å; T568-M572 PolarHBondContact O-N 3.09Å; T569-M572 PolarHBondContact O-N 3.11Å; Q570-M572 VanDerWaalsContact C-N 3.32Å; Q570-M572 PolarHBondContact O-N 3.05Å; M572-N575 PolarHBondContact O-N 2.82Å; M572-I581 HydrophobicContact CG-CG2 4.05Å; M572-F582 HydrophobicContact CB-CE1 4.46Å; M572-F582 HydrophobicContact CB-CE2 4.35Å; M572-F582 HydrophobicContact CB-CZ 4.19Å; M572-F582 HydrophobicContact CE-CD1 3.61Å; M572-F582 HydrophobicContact CE-CE1 3.86Å; M572-F582 HydrophobicContact CE-CG 4.23Å; M572-F582 VanDerWaalsContact O-CE2 3.27Å; M572-F582 WeakPolarHBondContact O-CE2 3.42Å; M572-F582 WeakPolarHBondContact O-CZ 3.39Å; M572-I589 HydrophobicContact SD-CD1 3.85Å; M572-I611 HydrophobicContact CB-CG2 3.82Å; M572-I611 HydrophobicContact CE-CG2 4.24Å; M572-L612 HydrophobicContact CE-CD2 3.78Å
573E95.3Very high95.9Very high70 Ų7042.6 Ų42.633%0.32722%0.224SC..Hα-helixtrans-65.9-40.5178.2-170.3174.3-165.400112.3T569 Q570 Q576 K607 I611T569-E573 PolarHBondContact O-N 2.89Å; Q570-E573 PolarHBondContact O-N 3.19Å; E573-Q576 WeakPolarHBondContact O-CG 3.38Å; E573-Q576 PolarHBondContact O-NE2 2.74Å; E573-K607 WeakPolarHBondContact OE1-CD 3.18Å; E573-K607 IonicContact OE1-NZ 2.6Å; E573-K607 PolarHBondContact OE1-NZ 3.44Å; E573-I611 HydrophobicContact CB-CD1 3.96Å; E573-I611 HydrophobicContact CB-CG1 4.45Å; E573-I611 HydrophobicContact CG-CD1 4.34Å
574S94.3Very high95.9Very high89 Ų8938.3 Ų38.362%0.62220%0.201SC*.Hα-helixtrans-81.7-15.4-179.170.30000113.8Q570 L571Q570-S574 WeakPolarHBondContact O-CB 3.4Å; Q570-S574 PolarHBondContact O-N 2.79Å; Q570-S574 PolarHBondContact O-OG 2.94Å; Q570-S574 VanDerWaalsContact O-OG 3.12Å; L571-S574 PolarHBondContact O-OG 3.32Å
575N94.4Very high95.9Very high31 Ų3138.3 Ų38.317%0.16620%0.201CC..THydrogen-bonded Turntrans-121.651.4-177.6-62.6-89.9000112K536 L571 M572 F577 D578 I581 F582K536-N575 WeakPolarHBondContact CE-OD1 3.49Å; L571-N575 VanDerWaalsContact O-CB 3.23Å; L571-N575 WeakPolarHBondContact O-CB 3.33Å; L571-N575 PolarHBondContact O-N 3.28Å; L571-N575 VanDerWaalsContact O-N 3.09Å; L571-N575 PolarHBondContact O-ND2 2.86Å; M572-N575 PolarHBondContact O-N 2.82Å; N575-F577 PolarHBondContact O-N 3.31Å; N575-D578 HydrophobicContact CB-CB 4.01Å; N575-D578 PolarHBondContact O-N 3.32Å; N575-I581 HydrophobicContact CB-CD1 3.49Å; N575-I581 VanDerWaalsContact CB-CD1 3.49Å; N575-I581 HydrophobicContact CB-CG2 4.48Å; N575-I581 VanDerWaalsContact CG-CD1 3.45Å; N575-F582 WeakPolarHBondContact O-CE2 3.44Å
576Q92.9Very high95.9Very high84 Ų8437.9 Ų37.939%0.39320%0.199SC..THydrogen-bonded Turntrans-53.9-25.1-172.8-59.8-175.9-7.800115E573E573-Q576 WeakPolarHBondContact O-CG 3.38Å; E573-Q576 PolarHBondContact O-NE2 2.74Å
577F94.1Very high95.7Very high151 Ų15136.9 Ų36.966%0.66219%0.19SC*.THydrogen-bonded Turntrans-101.11.3-178.9-56.5-70.1000114.5N575 Q618N575-F577 PolarHBondContact O-N 3.31Å; F577-Q618 HydrophobicContact CD1-CG 4.26Å
578D96Very high95.7Very high14 Ų1435.7 Ų35.78%0.07518%0.184CC..  trans-96.7102.9-176.6-160.3-61.3000112.5K536 K540 N575 E580 I581 F582K536-D578 WeakPolarHBondContact CE-OD2 3.38Å; K536-D578 IonicContact NZ-OD2 3.89Å; K536-D578 PolarHBondContact NZ-OD2 2.79Å; K540-D578 WeakPolarHBondContact CE-OD2 3.3Å; K540-D578 IonicContact NZ-OD2 3.14Å; N575-D578 HydrophobicContact CB-CB 4.01Å; N575-D578 PolarHBondContact O-N 3.32Å; D578-E580 VanDerWaalsContact C-N 3.26Å; D578-E580 PolarHBondContact O-N 3.35Å; D578-E580 WeakPolarHBondContact OD1-CB 3.46Å; D578-E580 PolarHBondContact OD1-N 3.14Å; D578-E580 VanDerWaalsContact OD1-N 3.14Å; D578-I581 HydrophobicContact CB-CB 4.18Å; D578-I581 HydrophobicContact CB-CD1 3.93Å; D578-I581 HydrophobicContact CB-CG1 4.15Å; D578-I581 PolarHBondContact O-N 3.47Å; D578-I581 PolarHBondContact OD1-N 3.01Å; D578-F582 WeakPolarHBondContact O-CD2 3.24Å; D578-F582 PolarHBondContact O-N 3.28Å
579C95.8Very high95.6Very high51 Ų5135.7 Ų35.735%0.34518%0.184SC..Hα-helixtrans-63.6-30.5-176.365.50000113.1F582 T583 F619 L622C579-F582 PolarHBondContact O-N 3.48Å; C579-T583 VanDerWaalsContact O-CB 3.23Å; C579-T583 WeakPolarHBondContact O-CB 3.38Å; C579-T583 PolarHBondContact O-N 3.02Å; C579-T583 PolarHBondContact O-OG1 3.5Å; C579-F619 HydrophobicContact CB-CD1 3.59Å; C579-F619 HydrophobicContact CB-CE1 3.52Å; C579-F619 HydrophobicContact CB-CG 4.19Å; C579-F619 HydrophobicContact CB-CZ 4.07Å; C579-L622 HydrophobicContact CB-CD1 3.68Å
580E95.2Very high95.5Very high68 Ų6836.4 Ų36.432%0.31819%0.188SC..Hα-helixtrans-71.7-39.6-177.9-171.4174.4-179.800110.8K540 D578 T583 N584K540-E580 WeakPolarHBondContact CD-OE2 2.99Å; K540-E580 HydrophobicContact CG-CG 4.5Å; D578-E580 VanDerWaalsContact C-N 3.26Å; D578-E580 PolarHBondContact O-N 3.35Å; D578-E580 WeakPolarHBondContact OD1-CB 3.46Å; D578-E580 PolarHBondContact OD1-N 3.14Å; D578-E580 VanDerWaalsContact OD1-N 3.14Å; E580-T583 PolarHBondContact O-N 2.9Å; E580-N584 WeakPolarHBondContact CG-ND2 3.32Å; E580-N584 WeakPolarHBondContact O-CB 3.31Å; E580-N584 PolarHBondContact O-N 3.38Å; E580-N584 PolarHBondContact O-ND2 3.39Å
581I96.2Very high95.3Very high0 Ų031.3 Ų31.30%017%0.166CC..Hα-helixtrans-63.3-45174.1-67.3175.8000110.3I539 K540 I543 L571 M572 N575 D578 G585I539-I581 HydrophobicContact CG2-CD1 4.44Å; K540-I581 HydrophobicContact CG-CG1 4.43Å; I543-I581 HydrophobicContact CD1-CG2 4.22Å; L571-I581 HydrophobicContact CB-CG2 4.27Å; M572-I581 HydrophobicContact CG-CG2 4.05Å; N575-I581 HydrophobicContact CB-CD1 3.49Å; N575-I581 VanDerWaalsContact CB-CD1 3.49Å; N575-I581 HydrophobicContact CB-CG2 4.48Å; N575-I581 VanDerWaalsContact CG-CD1 3.45Å; D578-I581 HydrophobicContact CB-CB 4.18Å; D578-I581 HydrophobicContact CB-CD1 3.93Å; D578-I581 HydrophobicContact CB-CG1 4.15Å; D578-I581 PolarHBondContact O-N 3.47Å; D578-I581 PolarHBondContact OD1-N 3.01Å; I581-G585 VanDerWaalsContact O-CA 3.27Å; I581-G585 WeakPolarHBondContact O-CA 3.34Å; I581-G585 PolarHBondContact O-N 2.93Å
582F97Very high95.2Very high1 Ų130.4 Ų30.40%0.00416%0.161CC..Hα-helixtrans-66.5-43177.9-88.5-98.3000113M572 N575 D578 C579 S586 I611 F619 T625 I629M572-F582 HydrophobicContact CB-CE1 4.46Å; M572-F582 HydrophobicContact CB-CE2 4.35Å; M572-F582 HydrophobicContact CB-CZ 4.19Å; M572-F582 HydrophobicContact CE-CD1 3.61Å; M572-F582 HydrophobicContact CE-CE1 3.86Å; M572-F582 HydrophobicContact CE-CG 4.23Å; M572-F582 VanDerWaalsContact O-CE2 3.27Å; M572-F582 WeakPolarHBondContact O-CE2 3.42Å; M572-F582 WeakPolarHBondContact O-CZ 3.39Å; N575-F582 WeakPolarHBondContact O-CE2 3.44Å; D578-F582 WeakPolarHBondContact O-CD2 3.24Å; D578-F582 PolarHBondContact O-N 3.28Å; C579-F582 PolarHBondContact O-N 3.48Å; F582-S586 WeakPolarHBondContact O-CB 3.46Å; F582-S586 PolarHBondContact O-N 2.88Å; F582-S586 VanDerWaalsContact O-N 3.17Å; F582-S586 PolarHBondContact O-OG 3.14Å; F582-I611 HydrophobicContact CE1-CG2 3.91Å; F582-I611 WeakPolarHBondContact CE1-O 3.39Å; F582-I611 HydrophobicContact CZ-CG2 4.06Å; F582-F619 HydrophobicContact CB-CD2 4.1Å; F582-F619 HydrophobicContact CB-CE2 3.79Å; F582-F619 HydrophobicContact CD1-CE2 4.23Å; F582-F619 AromaticContact CD2-CE2 3.6Å; F582-F619 HydrophobicContact CD2-CE2 3.6Å; F582-F619 HydrophobicContact CD2-CZ 4.23Å; F582-F619 HydrophobicContact CE2-CE2 4.23Å; F582-F619 HydrophobicContact CG-CD2 4.19Å; F582-F619 AromaticContact CG-CE2 3.59Å; F582-F619 HydrophobicContact CG-CE2 3.59Å; F582-T625 HydrophobicContact CB-CG2 4.31Å; F582-I629 HydrophobicContact CB-CD1 4.45Å; F582-I629 HydrophobicContact CD1-CD1 4.18Å
583T95.4Very high95.1Very high20 Ų2030.6 Ų30.612%0.12316%0.162CC..Hα-helixtrans-62.4-46.3-179.2-58.50000111.2C579 E580 I624 T625 N628C579-T583 VanDerWaalsContact O-CB 3.23Å; C579-T583 WeakPolarHBondContact O-CB 3.38Å; C579-T583 PolarHBondContact O-N 3.02Å; C579-T583 PolarHBondContact O-OG1 3.5Å; E580-T583 PolarHBondContact O-N 2.9Å; T583-I624 HydrophobicContact CG2-CG2 3.96Å; T583-T625 WeakPolarHBondContact OG1-CB 3.4Å; T583-T625 WeakPolarHBondContact OG1-CG2 3.26Å; T583-T625 PolarHBondContact OG1-OG1 3.35Å; T583-N628 VanDerWaalsContact CG2-ND2 3.34Å; T583-N628 WeakPolarHBondContact CG2-ND2 3.21Å; T583-N628 PolarHBondContact O-ND2 3.37Å
584N95.2Very high94.8Very high19 Ų1931.9 Ų31.910%0.10216%0.163CC..Hα-helixtrans-86.8-35.4-176.7-67.8-67.8000112.8I543 S544 W547 E580 S586 M587 V588I543-N584 HydrophobicContact CB-CB 4.49Å; I543-N584 HydrophobicContact CG1-CB 4.12Å; I543-N584 HydrophobicContact CG2-CB 4.01Å; S544-N584 WeakPolarHBondContact CA-OD1 3.47Å; W547-N584 PolarHBondContact NE1-OD1 3.4Å; E580-N584 WeakPolarHBondContact CG-ND2 3.32Å; E580-N584 WeakPolarHBondContact O-CB 3.31Å; E580-N584 PolarHBondContact O-N 3.38Å; E580-N584 PolarHBondContact O-ND2 3.39Å; N584-S586 VanDerWaalsContact C-N 3.33Å; N584-S586 PolarHBondContact O-N 3.46Å; N584-M587 WeakPolarHBondContact O-CA 3.46Å; N584-M587 WeakPolarHBondContact O-CB 3.36Å; N584-M587 PolarHBondContact O-N 2.86Å; N584-V588 WeakPolarHBondContact O-CG2 3.39Å; N584-V588 PolarHBondContact O-N 3.45Å
585G96.7Very high94.7Very high0 Ų028 Ų280%014%0.136CC..Hα-helixtrans-60.6-42.1176.600000112.1I581 M587 V588 I589I581-G585 VanDerWaalsContact O-CA 3.27Å; I581-G585 WeakPolarHBondContact O-CA 3.34Å; I581-G585 PolarHBondContact O-N 2.93Å; G585-M587 PolarHBondContact O-N 3.36Å; G585-V588 PolarHBondContact O-N 3.33Å; G585-V588 VanDerWaalsContact O-N 3.14Å; G585-I589 WeakPolarHBondContact O-CG1 3.29Å; G585-I589 PolarHBondContact O-N 3.46Å
586S96.2Very high94.7Very high0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-56-40.8172-58.20000111.9F582 N584 I589 V590 I629F582-S586 WeakPolarHBondContact O-CB 3.46Å; F582-S586 PolarHBondContact O-N 2.88Å; F582-S586 VanDerWaalsContact O-N 3.17Å; F582-S586 PolarHBondContact O-OG 3.14Å; N584-S586 VanDerWaalsContact C-N 3.33Å; N584-S586 PolarHBondContact O-N 3.46Å; S586-I589 PolarHBondContact O-N 3.49Å; S586-V590 VanDerWaalsContact O-CG2 3.29Å; S586-V590 WeakPolarHBondContact O-CG2 3.39Å; S586-V590 PolarHBondContact O-N 2.84Å; S586-I629 WeakPolarHBondContact OG-CG1 3.39Å
587M94Very high94.7Very high10 Ų1031.8 Ų31.85%0.04916%0.158CC..Hα-helixtrans-72.9-34.3178-67.4-57-60.400113.2I498 W547 N584 G585 S591 N628 L631I498-M587 HydrophobicContact CD1-CE 4.02Å; W547-M587 HydrophobicContact CB-CB 3.91Å; W547-M587 HydrophobicContact CD2-CB 3.76Å; W547-M587 HydrophobicContact CD2-CG 4.43Å; W547-M587 HydrophobicContact CE3-CB 4.25Å; W547-M587 HydrophobicContact CE3-CE 4.14Å; W547-M587 HydrophobicContact CG-CB 3.6Å; W547-M587 HydrophobicContact CZ3-CE 4.19Å; N584-M587 WeakPolarHBondContact O-CA 3.46Å; N584-M587 WeakPolarHBondContact O-CB 3.36Å; N584-M587 PolarHBondContact O-N 2.86Å; G585-M587 PolarHBondContact O-N 3.36Å; M587-S591 WeakPolarHBondContact O-CB 3.35Å; M587-S591 PolarHBondContact O-N 3.18Å; M587-S591 PolarHBondContact O-OG 3.44Å; M587-N628 HydrophobicContact CG-CB 4.17Å; M587-N628 VanDerWaalsContact CG-ND2 3.29Å; M587-N628 WeakPolarHBondContact CG-ND2 3.41Å; M587-N628 HydrophobicContact SD-CB 4.13Å; M587-L631 HydrophobicContact CE-CD2 4.46Å; M587-L631 HydrophobicContact SD-CD2 4.12Å
588V95.7Very high94.7Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-61-48.9171.7172.80000109.4I543 L546 W547 T564 T568 N584 G585 V590 S591 L592I543-V588 HydrophobicContact CG1-CG2 4.04Å; L546-V588 HydrophobicContact CB-CG2 4.2Å; L546-V588 HydrophobicContact CD2-CG1 4.2Å; L546-V588 HydrophobicContact CD2-CG2 4.37Å; L546-V588 HydrophobicContact CG-CG2 4.36Å; W547-V588 HydrophobicContact CB-CB 4.43Å; W547-V588 HydrophobicContact CB-CG2 3.78Å; T564-V588 HydrophobicContact CG2-CG1 3.92Å; T568-V588 HydrophobicContact CG2-CB 4.18Å; T568-V588 HydrophobicContact CG2-CG1 4.26Å; T568-V588 WeakPolarHBondContact OG1-CG1 3.32Å; N584-V588 WeakPolarHBondContact O-CG2 3.39Å; N584-V588 PolarHBondContact O-N 3.45Å; G585-V588 PolarHBondContact O-N 3.33Å; G585-V588 VanDerWaalsContact O-N 3.14Å; V588-V590 PolarHBondContact O-N 3.15Å; V588-S591 WeakPolarHBondContact O-CB 3.35Å; V588-S591 PolarHBondContact O-N 2.78Å; V588-S591 VanDerWaalsContact O-N 3.15Å; V588-L592 HydrophobicContact CG1-CD1 3.9Å; V588-L592 HydrophobicContact CG1-CG 4.31Å; V588-L592 WeakPolarHBondContact O-CG 3.49Å; V588-L592 PolarHBondContact O-N 3.41Å
589I96.2Very high94.6Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-58.5-49.8178.4-65171.5000110.7L565 T568 M572 G585 S586 S591 L592 L593 L608L565-I589 HydrophobicContact CD1-CB 4.4Å; L565-I589 HydrophobicContact CD1-CD1 4.48Å; L565-I589 HydrophobicContact CD1-CG1 3.83Å; L565-I589 HydrophobicContact CD1-CG2 4.09Å; T568-I589 HydrophobicContact CG2-CD1 4.23Å; T568-I589 HydrophobicContact CG2-CG1 3.95Å; M572-I589 HydrophobicContact SD-CD1 3.85Å; G585-I589 WeakPolarHBondContact O-CG1 3.29Å; G585-I589 PolarHBondContact O-N 3.46Å; S586-I589 PolarHBondContact O-N 3.49Å; I589-S591 VanDerWaalsContact C-N 3.27Å; I589-S591 PolarHBondContact O-N 3.48Å; I589-L592 PolarHBondContact O-N 3.36Å; I589-L593 HydrophobicContact CG2-CD1 3.69Å; I589-L593 HydrophobicContact CG2-CG 4.16Å; I589-L593 WeakPolarHBondContact O-CB 3.47Å; I589-L593 VanDerWaalsContact O-CG 3.3Å; I589-L593 WeakPolarHBondContact O-CG 3.5Å; I589-L593 PolarHBondContact O-N 3.42Å; I589-L608 HydrophobicContact CD1-CD1 3.86Å
590V93.8Very high94.4Very high23 Ų2335.4 Ų35.414%0.13916%0.162CC..Hα-helixtrans-56.8-41.7176.6168.90000111.8S586 V588 L593 L631 C632 V635S586-V590 VanDerWaalsContact O-CG2 3.29Å; S586-V590 WeakPolarHBondContact O-CG2 3.39Å; S586-V590 PolarHBondContact O-N 2.84Å; V588-V590 PolarHBondContact O-N 3.15Å; V590-L593 PolarHBondContact O-N 2.85Å; V590-L631 HydrophobicContact CG1-CD2 4.48Å; V590-L631 HydrophobicContact CG2-CG 4.33Å; V590-C632 HydrophobicContact CG2-CB 3.85Å; V590-V635 HydrophobicContact CG1-CG2 4.45Å; V590-V635 HydrophobicContact CG2-CG2 4.41Å
591S92.4Very high94.3Very high7 Ų736.7 Ų36.75%0.04917%0.168CC..Hα-helixtrans-66.5-40.8179.5-570000111.9M587 V588 I589M587-S591 WeakPolarHBondContact O-CB 3.35Å; M587-S591 PolarHBondContact O-N 3.18Å; M587-S591 PolarHBondContact O-OG 3.44Å; V588-S591 WeakPolarHBondContact O-CB 3.35Å; V588-S591 PolarHBondContact O-N 2.78Å; V588-S591 VanDerWaalsContact O-N 3.15Å; I589-S591 VanDerWaalsContact C-N 3.27Å; I589-S591 PolarHBondContact O-N 3.48Å
592L95.5Very high94.2Very high0 Ų036.8 Ų36.80%017%0.168CC..Hα-helixtrans-71.8-34.6178.1-66.7176.5000112.8A559 T564 L565 V588 I589 R594 I595 V598A559-L592 HydrophobicContact CB-CD2 3.77Å; T564-L592 HydrophobicContact CG2-CD1 3.9Å; L565-L592 HydrophobicContact CB-CD1 4.08Å; V588-L592 HydrophobicContact CG1-CD1 3.9Å; V588-L592 HydrophobicContact CG1-CG 4.31Å; V588-L592 WeakPolarHBondContact O-CG 3.49Å; V588-L592 PolarHBondContact O-N 3.41Å; I589-L592 PolarHBondContact O-N 3.36Å; L592-R594 PolarHBondContact O-N 3.41Å; L592-I595 WeakPolarHBondContact O-CB 3.41Å; L592-I595 PolarHBondContact O-N 2.75Å; L592-V598 HydrophobicContact CB-CG1 4.21Å
593L94.1Very high94Very high4 Ų439.9 Ų39.92%0.02119%0.187CC..THydrogen-bonded Turntrans-65.60178.2-77173.8000113.8I589 V590 V598 K599 I602 V635 V636 L639I589-L593 HydrophobicContact CG2-CD1 3.69Å; I589-L593 HydrophobicContact CG2-CG 4.16Å; I589-L593 WeakPolarHBondContact O-CB 3.47Å; I589-L593 VanDerWaalsContact O-CG 3.3Å; I589-L593 WeakPolarHBondContact O-CG 3.5Å; I589-L593 PolarHBondContact O-N 3.42Å; V590-L593 PolarHBondContact O-N 2.85Å; L593-V598 HydrophobicContact CD2-CG1 4.14Å; L593-K599 WeakPolarHBondContact O-CE 3.39Å; L593-K599 WeakPolarHBondContact O-CG 3.27Å; L593-I602 HydrophobicContact CD2-CB 4.06Å; L593-I602 HydrophobicContact CD2-CD1 3.74Å; L593-I602 HydrophobicContact CD2-CG1 3.83Å; L593-V635 HydrophobicContact CB-CG1 3.96Å; L593-V635 HydrophobicContact CD1-CB 4.46Å; L593-V635 HydrophobicContact CD1-CG1 3.76Å; L593-V636 HydrophobicContact CD1-CG2 3.66Å; L593-L639 HydrophobicContact CB-CD1 4.47Å; L593-L639 HydrophobicContact CD1-CD1 4.23Å; L593-L639 HydrophobicContact CD2-CD1 3.67Å; L593-L639 HydrophobicContact CG-CD1 4.34Å
594R89.2Confident94Very high97 Ų9744.6 Ų44.637%0.36621%0.212SC..THydrogen-bonded Turntrans-77.3-26167-66.5171.958.4-156.8-3.8112.3I551 L592I551-R594 PolarHBondContact O-NH1 3.06Å; I551-R594 PolarHBondContact O-NH2 3.07Å; L592-R594 PolarHBondContact O-N 3.41Å
595I93.4Very high93.9Very high8 Ų845.9 Ų45.94%0.04122%0.216CC..SBendtrans-79.3127-179.6-57.5-49.3000110.3E553 A556 L557 L592 I597 V598 K599E553-I595 HydrophobicContact CG-CD1 3.94Å; A556-I595 HydrophobicContact CB-CD1 3.94Å; A556-I595 HydrophobicContact CB-CG1 3.91Å; L557-I595 HydrophobicContact CD2-CD1 3.98Å; L557-I595 HydrophobicContact CD2-CG1 4.36Å; L557-I595 HydrophobicContact CD2-CG2 3.54Å; L557-I595 HydrophobicContact CG-CD1 3.82Å; L557-I595 HydrophobicContact CG-CG1 4.47Å; L592-I595 WeakPolarHBondContact O-CB 3.41Å; L592-I595 PolarHBondContact O-N 2.75Å; I595-I597 VanDerWaalsContact C-N 3.31Å; I595-I597 HydrophobicContact CG2-CB 4.32Å; I595-I597 PolarHBondContact O-N 3.33Å; I595-V598 HydrophobicContact CB-CB 4.32Å; I595-V598 HydrophobicContact CB-CG2 3.9Å; I595-V598 HydrophobicContact CG2-CG2 4.06Å; I595-V598 PolarHBondContact O-N 2.94Å; I595-V598 VanDerWaalsContact O-N 3.16Å; I595-K599 PolarHBondContact O-N 2.97Å
596N93Very high93.7Very high106 Ų10650 Ų5057%0.56724%0.237SC*.Hα-helixtrans-61.9-34.7-174.7-73.2-25.3000113.8K599 R600N596-K599 PolarHBondContact O-N 3.1Å; N596-R600 WeakPolarHBondContact O-CG 3.39Å; N596-R600 PolarHBondContact O-N 3.42Å; N596-R600 VanDerWaalsContact O-N 3.13Å
597I93Very high93.5Very high89 Ų8955 Ų5546%0.45626%0.259SS..Hα-helixtrans-63.1-46.1177.1-61.9168.4000110I595 R600 Q601I595-I597 VanDerWaalsContact C-N 3.31Å; I595-I597 HydrophobicContact CG2-CB 4.32Å; I595-I597 PolarHBondContact O-N 3.33Å; I597-R600 PolarHBondContact O-N 3Å; I597-Q601 PolarHBondContact O-N 3.27Å
598V94.4Very high93.6Very high7 Ų754.6 Ų54.64%0.04226%0.257CS..Hα-helixtrans-63-44.5177.5-175.60000110.9A560 L565 L592 L593 I595 R600 Q601 I602A560-V598 HydrophobicContact CB-CG2 3.47Å; A560-V598 VanDerWaalsContact CB-CG2 3.47Å; L565-V598 HydrophobicContact CD2-CG1 3.64Å; L592-V598 HydrophobicContact CB-CG1 4.21Å; L593-V598 HydrophobicContact CD2-CG1 4.14Å; I595-V598 HydrophobicContact CB-CB 4.32Å; I595-V598 HydrophobicContact CB-CG2 3.9Å; I595-V598 HydrophobicContact CG2-CG2 4.06Å; I595-V598 PolarHBondContact O-N 2.94Å; I595-V598 VanDerWaalsContact O-N 3.16Å; V598-R600 VanDerWaalsContact C-N 3.26Å; V598-R600 PolarHBondContact O-N 2.66Å; V598-Q601 PolarHBondContact O-N 3.44Å; V598-Q601 VanDerWaalsContact O-N 3.09Å; V598-I602 PolarHBondContact O-N 2.91Å
599K94.1Very high93.6Very high78 Ų7854.6 Ų54.634%0.33926%0.257SS..Hα-helixtrans-56.3-37.8175.8-70.2179-172.8168.90112.9L593 I595 N596 Q601 I602 L639L593-K599 WeakPolarHBondContact O-CE 3.39Å; L593-K599 WeakPolarHBondContact O-CG 3.27Å; I595-K599 PolarHBondContact O-N 2.97Å; N596-K599 PolarHBondContact O-N 3.1Å; K599-Q601 VanDerWaalsContact C-N 3.31Å; K599-I602 VanDerWaalsContact O-CG2 3.25Å; K599-I602 WeakPolarHBondContact O-CG2 3.34Å; K599-L639 HydrophobicContact CB-CD2 4.49Å; K599-L639 HydrophobicContact CD-CD2 4.1Å; K599-L639 HydrophobicContact CG-CD1 4.31Å; K599-L639 HydrophobicContact CG-CD2 4.13Å
600R92.6Very high93.5Very high207 Ų20758.3 Ų58.378%0.78127%0.272SS*.Hα-helixtrans-72.4-25.4180-72.8175.5-179.3176.80.5113.1N596 I597 V598N596-R600 WeakPolarHBondContact O-CG 3.39Å; N596-R600 PolarHBondContact O-N 3.42Å; N596-R600 VanDerWaalsContact O-N 3.13Å; I597-R600 PolarHBondContact O-N 3Å; V598-R600 VanDerWaalsContact C-N 3.26Å; V598-R600 PolarHBondContact O-N 2.66Å
601Q92.7Very high93.6Very high95 Ų9558 Ų5844%0.44427%0.269SS..Hα-helixtrans-101.1-5.5-175.1-67.2177.4-13.500113.3I597 V598 K599 T603 N604I597-Q601 PolarHBondContact O-N 3.27Å; V598-Q601 PolarHBondContact O-N 3.44Å; V598-Q601 VanDerWaalsContact O-N 3.09Å; K599-Q601 VanDerWaalsContact C-N 3.31Å; Q601-T603 PolarHBondContact O-N 2.9Å; Q601-T603 VanDerWaalsContact O-N 3.16Å; Q601-N604 VanDerWaalsContact O-CB 3.27Å; Q601-N604 WeakPolarHBondContact O-CB 3.46Å; Q601-N604 PolarHBondContact O-N 3.04Å
602I94.2Very high93.8Very high2 Ų257.6 Ų57.61%0.0127%0.266CS..G310 helixtrans-59-32.3-174.2-167.361.5000112.6L565 L593 V598 K599 N604 Y605 L608 L639 F643L565-I602 HydrophobicContact CD1-CD1 4.44Å; L565-I602 HydrophobicContact CD2-CD1 3.82Å; L593-I602 HydrophobicContact CD2-CB 4.06Å; L593-I602 HydrophobicContact CD2-CD1 3.74Å; L593-I602 HydrophobicContact CD2-CG1 3.83Å; V598-I602 PolarHBondContact O-N 2.91Å; K599-I602 VanDerWaalsContact O-CG2 3.25Å; K599-I602 WeakPolarHBondContact O-CG2 3.34Å; I602-N604 PolarHBondContact O-N 3.43Å; I602-N604 VanDerWaalsContact O-N 3.14Å; I602-Y605 HydrophobicContact CD1-CD2 4.37Å; I602-Y605 WeakPolarHBondContact O-CB 3.39Å; I602-Y605 PolarHBondContact O-N 2.98Å; I602-L608 HydrophobicContact CD1-CD2 3.79Å; I602-L608 HydrophobicContact CG1-CD2 4.46Å; I602-L639 HydrophobicContact CG2-CD1 4.46Å; I602-F643 HydrophobicContact CB-CE2 4.43Å; I602-F643 HydrophobicContact CG1-CE2 3.85Å; I602-F643 HydrophobicContact CG1-CZ 4.13Å; I602-F643 HydrophobicContact CG2-CE2 3.93Å; I602-F643 WeakPolarHBondContact O-CZ 3.35Å
603T92.6Very high93.9Very high65 Ų6557.7 Ų57.740%0.39927%0.267SS..G310 helixtrans-63.2-17.4178.248.90000113.6Q601 Y605Q601-T603 PolarHBondContact O-N 2.9Å; Q601-T603 VanDerWaalsContact O-N 3.16Å; T603-Y605 PolarHBondContact O-N 3.25Å
604N94.2Very high93.9Very high120 Ų12060.5 Ų60.564%0.64228%0.28SS*.G310 helixtrans-69.6-17.7172.6-62.7-17.8000112.4Q601 I602 N606Q601-N604 VanDerWaalsContact O-CB 3.27Å; Q601-N604 WeakPolarHBondContact O-CB 3.46Å; Q601-N604 PolarHBondContact O-N 3.04Å; I602-N604 PolarHBondContact O-N 3.43Å; I602-N604 VanDerWaalsContact O-N 3.14Å; N604-N606 PolarHBondContact O-N 2.71Å
605Y94.6Very high94.2Very high46 Ų4655.9 Ų55.918%0.1826%0.262CS..  trans-95.260.8179.5-62.1-87.8000111L565 S566 T569 I602 T603 K607 L608L565-Y605 HydrophobicContact CD2-CD2 3.75Å; L565-Y605 HydrophobicContact CD2-CE2 3.32Å; L565-Y605 HydrophobicContact CG-CD2 4.26Å; L565-Y605 HydrophobicContact CG-CE1 4.28Å; L565-Y605 HydrophobicContact CG-CE2 3.76Å; S566-Y605 WeakPolarHBondContact CB-OH 3.42Å; S566-Y605 PolarHBondContact N-OH 3.32Å; T569-Y605 HydrophobicContact CG2-CD1 4.26Å; I602-Y605 HydrophobicContact CD1-CD2 4.37Å; I602-Y605 WeakPolarHBondContact O-CB 3.39Å; I602-Y605 PolarHBondContact O-N 2.98Å; T603-Y605 PolarHBondContact O-N 3.25Å; Y605-K607 PolarHBondContact O-N 3.01Å; Y605-K607 VanDerWaalsContact O-N 3.09Å; Y605-L608 WeakPolarHBondContact O-CB 3.26Å; Y605-L608 PolarHBondContact O-N 3.31Å
606N90.9Very high94.3Very high85 Ų8555.5 Ų55.546%0.45526%0.26SS..THydrogen-bonded Turntrans-59.9-18.6-176.164.1-9000115.1N604 Y642 Q646N604-N606 PolarHBondContact O-N 2.71Å; N606-Y642 HydrophobicContact CB-CE1 4.33Å; N606-Y642 WeakPolarHBondContact CB-OH 3.37Å; N606-Q646 PolarHBondContact O-NE2 2.95Å; N606-Q646 PolarHBondContact O-OE1 3.15Å
607K92.8Very high94.4Very high107 Ų10752.3 Ų52.347%0.46524%0.243SC..THydrogen-bonded Turntrans-86.9-8.9175.1-69.4-179.2172.1-176.90114.3E573 Y605 I609 Y610 I611E573-K607 WeakPolarHBondContact OE1-CD 3.18Å; E573-K607 IonicContact OE1-NZ 2.6Å; E573-K607 PolarHBondContact OE1-NZ 3.44Å; Y605-K607 PolarHBondContact O-N 3.01Å; Y605-K607 VanDerWaalsContact O-N 3.09Å; K607-I609 PolarHBondContact O-N 3.27Å; K607-Y610 PolarHBondContact O-N 2.58Å; K607-Y610 VanDerWaalsContact O-N 3.15Å; K607-I611 HydrophobicContact CB-CD1 4.08Å; K607-I611 HydrophobicContact CB-CG1 4.47Å; K607-I611 WeakPolarHBondContact O-CG1 3.29Å; K607-I611 PolarHBondContact O-N 2.93Å
608L96.2Very high94.5Very high0 Ų051.9 Ų51.90%024%0.239CC..Hα-helixtrans-60.1-42.3-168179.258.3000112.9I589 I602 Y605 I611 L612 V636I589-L608 HydrophobicContact CD1-CD1 3.86Å; I602-L608 HydrophobicContact CD1-CD2 3.79Å; I602-L608 HydrophobicContact CG1-CD2 4.46Å; Y605-L608 WeakPolarHBondContact O-CB 3.26Å; Y605-L608 PolarHBondContact O-N 3.31Å; L608-I611 PolarHBondContact O-N 3.06Å; L608-L612 HydrophobicContact CD1-CD1 3.98Å; L608-L612 HydrophobicContact CD1-CG 4.1Å; L608-L612 HydrophobicContact CG-CD1 3.97Å; L608-L612 VanDerWaalsContact O-CG 3.28Å; L608-L612 WeakPolarHBondContact O-CG 3.41Å; L608-L612 PolarHBondContact O-N 3.35Å; L608-V636 HydrophobicContact CD2-CG1 4.16Å; L608-V636 HydrophobicContact CD2-CG2 3.83Å
609I95.5Very high94.6Very high0 Ų052.2 Ų52.20%024%0.24CC..Hα-helixtrans-61.6-46.8177.6-67.7-65.7000110.8K607 I611 L612 L613 L633 V636 I637 F643 Q646 F647K607-I609 PolarHBondContact O-N 3.27Å; I609-I611 PolarHBondContact O-N 3.08Å; I609-L612 PolarHBondContact O-N 3.15Å; I609-L613 HydrophobicContact CG2-CD1 3.88Å; I609-L613 HydrophobicContact CG2-CG 4.2Å; I609-L613 WeakPolarHBondContact O-CB 3.32Å; I609-L613 VanDerWaalsContact O-CG 3.31Å; I609-L613 WeakPolarHBondContact O-CG 3.11Å; I609-L613 PolarHBondContact O-N 3.23Å; I609-L633 HydrophobicContact CD1-CD2 3.65Å; I609-V636 HydrophobicContact CD1-CG1 3.96Å; I609-I637 HydrophobicContact CD1-CG1 4.13Å; I609-F643 HydrophobicContact CD1-CB 3.99Å; I609-F643 HydrophobicContact CD1-CD1 4.28Å; I609-F643 HydrophobicContact CD1-CG 4.34Å; I609-F643 HydrophobicContact CG1-CB 3.9Å; I609-F643 HydrophobicContact CG1-CD1 3.5Å; I609-F643 HydrophobicContact CG1-CE1 4.33Å; I609-F643 HydrophobicContact CG1-CG 4.01Å; I609-Q646 HydrophobicContact CB-CB 4.09Å; I609-Q646 HydrophobicContact CG1-CB 4.26Å; I609-Q646 HydrophobicContact CG2-CB 4.04Å; I609-F647 HydrophobicContact CG2-CB 4.24Å
610Y94.5Very high94.6Very high79 Ų7951.9 Ų51.931%0.3124%0.238SC..Hα-helixtrans-62.9-40.4178.2-55.2-59.1000112.5K607 L612 L613 H614 D649 V651K607-Y610 PolarHBondContact O-N 2.58Å; K607-Y610 VanDerWaalsContact O-N 3.15Å; Y610-L612 PolarHBondContact O-N 2.97Å; Y610-L613 PolarHBondContact O-N 3.32Å; Y610-H614 VanDerWaalsContact O-CB 3.28Å; Y610-H614 WeakPolarHBondContact O-CB 3.32Å; Y610-H614 PolarHBondContact O-N 3.42Å; Y610-D649 PolarHBondContact OH-OD2 2.65Å; Y610-V651 HydrophobicContact CD1-CG2 3.92Å; Y610-V651 HydrophobicContact CE1-CG2 4.22Å
611I96Very high94.7Very high15 Ų1547 Ų478%0.07723%0.228CC..Hα-helixtrans-59.9-47.7174.9-66.9164.9000110.1T569 M572 E573 F582 K607 L608 I609 H614 G615T569-I611 HydrophobicContact CG2-CD1 3.67Å; M572-I611 HydrophobicContact CB-CG2 3.82Å; M572-I611 HydrophobicContact CE-CG2 4.24Å; E573-I611 HydrophobicContact CB-CD1 3.96Å; E573-I611 HydrophobicContact CB-CG1 4.45Å; E573-I611 HydrophobicContact CG-CD1 4.34Å; F582-I611 HydrophobicContact CE1-CG2 3.91Å; F582-I611 WeakPolarHBondContact CE1-O 3.39Å; F582-I611 HydrophobicContact CZ-CG2 4.06Å; K607-I611 HydrophobicContact CB-CD1 4.08Å; K607-I611 HydrophobicContact CB-CG1 4.47Å; K607-I611 WeakPolarHBondContact O-CG1 3.29Å; K607-I611 PolarHBondContact O-N 2.93Å; L608-I611 PolarHBondContact O-N 3.06Å; I609-I611 PolarHBondContact O-N 3.08Å; I611-H614 PolarHBondContact O-N 3.29Å; I611-G615 PolarHBondContact O-N 2.68Å
612L97.3Very high94.8Very high0 Ų046 Ų460%023%0.225CC..Hα-helixtrans-65.2-43179.9-68.5169.7000112M572 L608 I609 Y610 G615 L616 I629 C632 L633M572-L612 HydrophobicContact CE-CD2 3.78Å; L608-L612 HydrophobicContact CD1-CD1 3.98Å; L608-L612 HydrophobicContact CD1-CG 4.1Å; L608-L612 HydrophobicContact CG-CD1 3.97Å; L608-L612 VanDerWaalsContact O-CG 3.28Å; L608-L612 WeakPolarHBondContact O-CG 3.41Å; L608-L612 PolarHBondContact O-N 3.35Å; I609-L612 PolarHBondContact O-N 3.15Å; Y610-L612 PolarHBondContact O-N 2.97Å; L612-G615 PolarHBondContact O-N 3.28Å; L612-L616 PolarHBondContact O-N 3.09Å; L612-I629 HydrophobicContact CB-CG2 3.95Å; L612-I629 HydrophobicContact CD2-CG2 4.01Å; L612-I629 WeakPolarHBondContact O-CG2 3.47Å; L612-C632 HydrophobicContact CD1-CB 4.39Å; L612-C632 HydrophobicContact CD2-CB 4.3Å; L612-L633 HydrophobicContact CB-CD2 3.8Å; L612-L633 HydrophobicContact CB-CG 4.09Å; L612-L633 HydrophobicContact CD1-CD2 3.8Å; L612-L633 HydrophobicContact CD1-CG 4.12Å; L612-L633 HydrophobicContact CG-CD2 4.46Å
613L95.7Very high94.8Very high1 Ų148.1 Ų48.11%0.00524%0.239CC..Hα-helixtrans-63-42.6175.7-72.4-177.7000112I609 Y610 G615 L616 I617 L633 F647 V651 I666I609-L613 HydrophobicContact CG2-CD1 3.88Å; I609-L613 HydrophobicContact CG2-CG 4.2Å; I609-L613 WeakPolarHBondContact O-CB 3.32Å; I609-L613 VanDerWaalsContact O-CG 3.31Å; I609-L613 WeakPolarHBondContact O-CG 3.11Å; I609-L613 PolarHBondContact O-N 3.23Å; Y610-L613 PolarHBondContact O-N 3.32Å; L613-G615 VanDerWaalsContact C-N 3.32Å; L613-G615 PolarHBondContact O-N 2.98Å; L613-L616 HydrophobicContact CD2-CD1 4.37Å; L613-L616 WeakPolarHBondContact O-CB 3.48Å; L613-L616 PolarHBondContact O-N 3.4Å; L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 3.49Å; L613-I617 VanDerWaalsContact O-N 3.07Å; L613-L633 HydrophobicContact CD2-CD1 4.4Å; L613-F647 HydrophobicContact CD1-CD2 4.49Å; L613-F647 HydrophobicContact CD2-CD2 3.92Å; L613-F647 HydrophobicContact CD2-CE2 3.64Å; L613-V651 HydrophobicContact CD1-CG2 4.17Å; L613-I666 HydrophobicContact CB-CD1 3.84Å; L613-I666 HydrophobicContact CD1-CD1 4.3Å; L613-I666 HydrophobicContact CD2-CD1 4.01Å; L613-I666 HydrophobicContact CG-CD1 4.26Å
614H94.3Very high94.7Very high64 Ų6449.9 Ų49.930%0.29625%0.245SC..Hα-helixtrans-58.8-44.4172.1178.3-82.6000111.3Y610 I611 L616 I617 Q618Y610-H614 VanDerWaalsContact O-CB 3.28Å; Y610-H614 WeakPolarHBondContact O-CB 3.32Å; Y610-H614 PolarHBondContact O-N 3.42Å; I611-H614 PolarHBondContact O-N 3.29Å; H614-L616 VanDerWaalsContact C-N 3.32Å; H614-L616 PolarHBondContact O-N 3.35Å; H614-I617 PolarHBondContact O-N 2.92Å; H614-I617 VanDerWaalsContact O-N 3.17Å; H614-Q618 WeakPolarHBondContact O-CB 3.22Å; H614-Q618 PolarHBondContact O-N 2.86Å
615G96.1Very high94.7Very high0 Ų044.5 Ų44.50%022%0.216CC..Hα-helixtrans-57.6-41.5174.200000113.2I611 L612 L613 Q618 F619I611-G615 PolarHBondContact O-N 2.68Å; L612-G615 PolarHBondContact O-N 3.28Å; L613-G615 VanDerWaalsContact C-N 3.32Å; L613-G615 PolarHBondContact O-N 2.98Å; G615-Q618 PolarHBondContact O-N 3.42Å; G615-F619 WeakPolarHBondContact O-CB 3.3Å; G615-F619 WeakPolarHBondContact O-CD2 3.29Å; G615-F619 PolarHBondContact O-N 3.25Å
616L96.4Very high94.8Very high0 Ų042.3 Ų42.30%021%0.208CC..Hα-helixtrans-61.4-42.8174.5-76.7-176.1000112.3L612 L613 H614 K620 I626 I629 L633 I666 L667 I670L612-L616 PolarHBondContact O-N 3.09Å; L613-L616 HydrophobicContact CD2-CD1 4.37Å; L613-L616 WeakPolarHBondContact O-CB 3.48Å; L613-L616 PolarHBondContact O-N 3.4Å; H614-L616 VanDerWaalsContact C-N 3.32Å; H614-L616 PolarHBondContact O-N 3.35Å; L616-K620 VanDerWaalsContact O-CA 3.3Å; L616-K620 WeakPolarHBondContact O-CA 3.45Å; L616-K620 WeakPolarHBondContact O-CB 3.48Å; L616-K620 PolarHBondContact O-N 3.03Å; L616-I626 HydrophobicContact CD2-CB 4.43Å; L616-I626 HydrophobicContact CD2-CG1 4.45Å; L616-I626 HydrophobicContact CD2-CG2 4.2Å; L616-I629 HydrophobicContact CD1-CG2 4.27Å; L616-I629 HydrophobicContact CD2-CB 3.85Å; L616-I629 HydrophobicContact CD2-CD1 4.29Å; L616-I629 HydrophobicContact CD2-CG2 3.68Å; L616-I629 HydrophobicContact CG-CB 4.34Å; L616-I629 HydrophobicContact CG-CG2 3.61Å; L616-L633 HydrophobicContact CD1-CD1 3.76Å; L616-I666 HydrophobicContact CB-CG2 3.77Å; L616-I666 HydrophobicContact CD1-CG2 4.25Å; L616-L667 HydrophobicContact CD1-CD2 4.17Å; L616-I670 HydrophobicContact CB-CD1 3.81Å; L616-I670 HydrophobicContact CD1-CD1 4.26Å; L616-I670 HydrophobicContact CD2-CD1 3.97Å; L616-I670 HydrophobicContact CG-CD1 4.22Å
617I94.2Very high95Very high39 Ų3939 Ų3920%0.219%0.189CC..Hα-helixtrans-64.3-48177.4-66.7167.9000110.8L613 H614 K620 I666L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 3.49Å; L613-I617 VanDerWaalsContact O-N 3.07Å; H614-I617 PolarHBondContact O-N 2.92Å; H614-I617 VanDerWaalsContact O-N 3.17Å; I617-K620 WeakPolarHBondContact O-CD 3.48Å; I617-K620 WeakPolarHBondContact O-CG 3.17Å; I617-I666 HydrophobicContact CD1-CD1 3.66Å; I617-I666 HydrophobicContact CD1-CG1 3.92Å; I617-I666 HydrophobicContact CG1-CD1 3.96Å; I617-I666 HydrophobicContact CG1-CG1 3.88Å; I617-I666 HydrophobicContact CG1-CG2 3.95Å
618Q95Very high95Very high79 Ų7934.4 Ų34.437%0.36917%0.169SC..Hα-helixtrans-67.1-38.5-175.5-173.957.630.900112F577 H614 G615F577-Q618 HydrophobicContact CD1-CG 4.26Å; H614-Q618 WeakPolarHBondContact O-CB 3.22Å; H614-Q618 PolarHBondContact O-N 2.86Å; G615-Q618 PolarHBondContact O-N 3.42Å
619F96.3Very high95.1Very high14 Ų1434.4 Ų34.46%0.06117%0.169CC..THydrogen-bonded Turntrans-110.626.4-175.3-51.1-60.4000113.4C579 F582 G615 N621 L622 T625C579-F619 HydrophobicContact CB-CD1 3.59Å; C579-F619 HydrophobicContact CB-CE1 3.52Å; C579-F619 HydrophobicContact CB-CG 4.19Å; C579-F619 HydrophobicContact CB-CZ 4.07Å; F582-F619 HydrophobicContact CB-CD2 4.1Å; F582-F619 HydrophobicContact CB-CE2 3.79Å; F582-F619 HydrophobicContact CD1-CE2 4.23Å; F582-F619 AromaticContact CD2-CE2 3.6Å; F582-F619 HydrophobicContact CD2-CE2 3.6Å; F582-F619 HydrophobicContact CD2-CZ 4.23Å; F582-F619 HydrophobicContact CE2-CE2 4.23Å; F582-F619 HydrophobicContact CG-CD2 4.19Å; F582-F619 AromaticContact CG-CE2 3.59Å; F582-F619 HydrophobicContact CG-CE2 3.59Å; G615-F619 WeakPolarHBondContact O-CB 3.3Å; G615-F619 WeakPolarHBondContact O-CD2 3.29Å; G615-F619 PolarHBondContact O-N 3.25Å; F619-N621 PolarHBondContact O-N 3.37Å; F619-L622 HydrophobicContact CB-CB 4.42Å; F619-L622 HydrophobicContact CB-CD1 4.19Å; F619-L622 HydrophobicContact CB-CG 4.5Å; F619-L622 HydrophobicContact CD1-CD1 4.05Å; F619-L622 HydrophobicContact CG-CD1 4.45Å; F619-L622 PolarHBondContact O-N 2.98Å; F619-T625 HydrophobicContact CB-CG2 3.78Å; F619-T625 HydrophobicContact CD2-CG2 3.91Å; F619-T625 HydrophobicContact CG-CG2 4.02Å
620K94.8Very high95.1Very high71 Ų7134.4 Ų34.431%0.30917%0.169SC..THydrogen-bonded Turntrans-54.7-13.8179.765.1-169.9174.1-125.10115.9L616 I617 I626 L669 I670 I673 H674L616-K620 VanDerWaalsContact O-CA 3.3Å; L616-K620 WeakPolarHBondContact O-CA 3.45Å; L616-K620 WeakPolarHBondContact O-CB 3.48Å; L616-K620 PolarHBondContact O-N 3.03Å; I617-K620 WeakPolarHBondContact O-CD 3.48Å; I617-K620 WeakPolarHBondContact O-CG 3.17Å; K620-I626 WeakPolarHBondContact O-CD1 3.48Å; K620-L669 HydrophobicContact CD-CD2 4.42Å; K620-I670 HydrophobicContact CB-CG1 4.03Å; K620-I673 HydrophobicContact CB-CD1 4Å; K620-I673 HydrophobicContact CD-CD1 3.59Å; K620-I673 HydrophobicContact CG-CD1 3.8Å; K620-H674 PolarHBondContact O-CD2 3.22Å; K620-H674 PolarHBondContact O-NE2 2.68Å
621N94.7Very high95.1Very high105 Ų10532.1 Ų32.156%0.56116%0.162SC*.THydrogen-bonded Turntrans-98.9-0.3176.9-64.7-26.8000113.9F619 P623F619-N621 PolarHBondContact O-N 3.37Å; N621-P623 WeakPolarHBondContact O-CD 3.12Å
622L95.2Very high95.1Very high73 Ų7331.4 Ų31.438%0.38216%0.159SC..  trans-113.596.8-172.1-60.2-177.4000111.7C579 F619 I624 T625 I626C579-L622 HydrophobicContact CB-CD1 3.68Å; F619-L622 HydrophobicContact CB-CB 4.42Å; F619-L622 HydrophobicContact CB-CD1 4.19Å; F619-L622 HydrophobicContact CB-CG 4.5Å; F619-L622 HydrophobicContact CD1-CD1 4.05Å; F619-L622 HydrophobicContact CG-CD1 4.45Å; F619-L622 PolarHBondContact O-N 2.98Å; L622-I624 VanDerWaalsContact C-N 3.35Å; L622-I624 PolarHBondContact O-N 3.14Å; L622-T625 PolarHBondContact O-N 3.39Å; L622-T625 VanDerWaalsContact O-N 3.13Å; L622-I626 WeakPolarHBondContact O-CG1 3.37Å; L622-I626 PolarHBondContact O-N 3.19Å
623P92.9Very high95Very high47 Ų4731.4 Ų31.431%0.30516%0.159SC..Hα-helixtrans-55.4-39.6-173-30.736.9000115.7N621 I626 W627 V680N621-P623 WeakPolarHBondContact O-CD 3.12Å; P623-I626 PolarHBondContact O-N 3.11Å; P623-W627 WeakPolarHBondContact O-CB 3.38Å; P623-W627 PolarHBondContact O-N 3.24Å; P623-V680 HydrophobicContact CB-CG2 3.81Å; P623-V680 HydrophobicContact CG-CG2 4.12Å
624I91.3Very high95Very high102 Ų10233.9 Ų33.952%0.52317%0.17SC..Hα-helixtrans-68-41.6-178.9-61.2172.6000110.6T496 T583 L622 W627 N628T496-I624 HydrophobicContact CG2-CG2 4.39Å; T583-I624 HydrophobicContact CG2-CG2 3.96Å; L622-I624 VanDerWaalsContact C-N 3.35Å; L622-I624 PolarHBondContact O-N 3.14Å; I624-W627 PolarHBondContact O-N 3.33Å; I624-N628 PolarHBondContact O-N 2.81Å
625T95Very high95Very high7 Ų732.5 Ų32.54%0.04317%0.167CC..Hα-helixtrans-65.7-45.5177.9-500000110.3F582 T583 F619 L622 W627 N628 I629F582-T625 HydrophobicContact CB-CG2 4.31Å; T583-T625 WeakPolarHBondContact OG1-CB 3.4Å; T583-T625 WeakPolarHBondContact OG1-CG2 3.26Å; T583-T625 PolarHBondContact OG1-OG1 3.35Å; F619-T625 HydrophobicContact CB-CG2 3.78Å; F619-T625 HydrophobicContact CD2-CG2 3.91Å; F619-T625 HydrophobicContact CG-CG2 4.02Å; L622-T625 PolarHBondContact O-N 3.39Å; L622-T625 VanDerWaalsContact O-N 3.13Å; T625-W627 VanDerWaalsContact C-N 3.31Å; T625-W627 PolarHBondContact O-N 2.97Å; T625-N628 PolarHBondContact O-N 3.41Å; T625-I629 HydrophobicContact CG2-CD1 3.78Å; T625-I629 HydrophobicContact CG2-CG1 4.44Å; T625-I629 WeakPolarHBondContact O-CB 3.38Å; T625-I629 VanDerWaalsContact O-CG1 3.31Å; T625-I629 WeakPolarHBondContact O-CG1 3.31Å; T625-I629 PolarHBondContact O-N 3.39Å
626I95.9Very high94.9Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-56.7-47.3175.3-65.5161.4000110.4L616 K620 L622 P623 N628 I629 C630 I670 V680 A683 L684L616-I626 HydrophobicContact CD2-CB 4.43Å; L616-I626 HydrophobicContact CD2-CG1 4.45Å; L616-I626 HydrophobicContact CD2-CG2 4.2Å; K620-I626 WeakPolarHBondContact O-CD1 3.48Å; L622-I626 WeakPolarHBondContact O-CG1 3.37Å; L622-I626 PolarHBondContact O-N 3.19Å; P623-I626 PolarHBondContact O-N 3.11Å; I626-N628 PolarHBondContact O-N 2.77Å; I626-I629 PolarHBondContact O-N 2.87Å; I626-C630 VanDerWaalsContact O-CB 3.29Å; I626-C630 WeakPolarHBondContact O-CB 3.32Å; I626-C630 PolarHBondContact O-N 2.86Å; I626-C630 PolarHBondContact O-SG 3.1Å; I626-I670 HydrophobicContact CD1-CG2 3.93Å; I626-I670 HydrophobicContact CG2-CG2 4.3Å; I626-V680 HydrophobicContact CD1-CG2 4.49Å; I626-V680 HydrophobicContact CG2-CG1 4.26Å; I626-A683 HydrophobicContact CG2-CB 4.38Å; I626-L684 HydrophobicContact CG2-CD2 4.41Å
627W94.1Very high94.8Very high15 Ų1532.5 Ų32.56%0.05717%0.167CC..Hα-helixtrans-56.2-53.2177.8-179.5-80.5000112.4T496 P623 I624 T625 I629 C630 L631 K679 E682 A683T496-W627 PolarHBondContact O-NE1 3.48Å; P623-W627 WeakPolarHBondContact O-CB 3.38Å; P623-W627 PolarHBondContact O-N 3.24Å; I624-W627 PolarHBondContact O-N 3.33Å; T625-W627 VanDerWaalsContact C-N 3.31Å; T625-W627 PolarHBondContact O-N 2.97Å; W627-I629 PolarHBondContact O-N 3.19Å; W627-C630 PolarHBondContact O-N 2.86Å; W627-L631 WeakPolarHBondContact O-CB 3.28Å; W627-L631 PolarHBondContact O-N 3.48Å; W627-K679 HydrophobicContact CE3-CB 4.47Å; W627-K679 VanDerWaalsContact CE3-O 3.25Å; W627-K679 HydrophobicContact CZ3-CB 4.48Å; W627-K679 WeakPolarHBondContact CZ3-O 3.39Å; W627-E682 HydrophobicContact CH2-CG 4.4Å; W627-E682 WeakPolarHBondContact CH2-OE1 3.23Å; W627-E682 VanDerWaalsContact CH2-OE2 3.29Å; W627-E682 WeakPolarHBondContact CH2-OE2 3.38Å; W627-E682 HydrophobicContact CZ3-CB 4.04Å; W627-E682 HydrophobicContact CZ3-CG 4.31Å; W627-E682 WeakPolarHBondContact CZ3-OE2 3.32Å; W627-A683 HydrophobicContact CB-CB 4.24Å; W627-A683 HydrophobicContact CD2-CB 4.32Å; W627-A683 HydrophobicContact CE3-CB 3.84Å
628N94.2Very high94.7Very high11 Ų1132.8 Ų32.86%0.05917%0.172CC..Hα-helixtrans-65.9-39.4-176.4-70.93.2000112T583 M587 I624 T625 I626 C632T583-N628 VanDerWaalsContact CG2-ND2 3.34Å; T583-N628 WeakPolarHBondContact CG2-ND2 3.21Å; T583-N628 PolarHBondContact O-ND2 3.37Å; M587-N628 HydrophobicContact CG-CB 4.17Å; M587-N628 VanDerWaalsContact CG-ND2 3.29Å; M587-N628 WeakPolarHBondContact CG-ND2 3.41Å; M587-N628 HydrophobicContact SD-CB 4.13Å; I624-N628 PolarHBondContact O-N 2.81Å; T625-N628 PolarHBondContact O-N 3.41Å; I626-N628 PolarHBondContact O-N 2.77Å; N628-C632 WeakPolarHBondContact O-CB 3.11Å; N628-C632 PolarHBondContact O-N 3.28Å
629I96.8Very high94.6Very high0 Ų032 Ų320%017%0.17CC..Hα-helixtrans-65.6-45.9176-67.1170.1000110.4F582 S586 L612 L616 T625 I626 W627 L631 C632 L633F582-I629 HydrophobicContact CB-CD1 4.45Å; F582-I629 HydrophobicContact CD1-CD1 4.18Å; S586-I629 WeakPolarHBondContact OG-CG1 3.39Å; L612-I629 HydrophobicContact CB-CG2 3.95Å; L612-I629 HydrophobicContact CD2-CG2 4.01Å; L612-I629 WeakPolarHBondContact O-CG2 3.47Å; L616-I629 HydrophobicContact CD1-CG2 4.27Å; L616-I629 HydrophobicContact CD2-CB 3.85Å; L616-I629 HydrophobicContact CD2-CD1 4.29Å; L616-I629 HydrophobicContact CD2-CG2 3.68Å; L616-I629 HydrophobicContact CG-CB 4.34Å; L616-I629 HydrophobicContact CG-CG2 3.61Å; T625-I629 HydrophobicContact CG2-CD1 3.78Å; T625-I629 HydrophobicContact CG2-CG1 4.44Å; T625-I629 WeakPolarHBondContact O-CB 3.38Å; T625-I629 VanDerWaalsContact O-CG1 3.31Å; T625-I629 WeakPolarHBondContact O-CG1 3.31Å; T625-I629 PolarHBondContact O-N 3.39Å; I626-I629 PolarHBondContact O-N 2.87Å; W627-I629 PolarHBondContact O-N 3.19Å; I629-L631 VanDerWaalsContact C-N 3.33Å; I629-L631 PolarHBondContact O-N 2.81Å; I629-C632 WeakPolarHBondContact O-CB 3.17Å; I629-C632 PolarHBondContact O-N 3.17Å; I629-C632 VanDerWaalsContact O-N 3.13Å; I629-L633 HydrophobicContact CG2-CD1 4.12Å; I629-L633 HydrophobicContact CG2-CG 4.4Å; I629-L633 WeakPolarHBondContact O-CG 3.37Å; I629-L633 PolarHBondContact O-N 2.86Å
630C96.2Very high94.3Very high0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-64.9-36.4178.8-690000112.6I626 W627 L633 Q634 A683I626-C630 VanDerWaalsContact O-CB 3.29Å; I626-C630 WeakPolarHBondContact O-CB 3.32Å; I626-C630 PolarHBondContact O-N 2.86Å; I626-C630 PolarHBondContact O-SG 3.1Å; W627-C630 PolarHBondContact O-N 2.86Å; C630-L633 PolarHBondContact O-N 3.01Å; C630-Q634 WeakPolarHBondContact O-CB 3.43Å; C630-Q634 PolarHBondContact O-N 2.99Å; C630-A683 HydrophobicContact CB-CB 4.07Å; C630-A683 WeakPolarHBondContact CB-O 3.38Å
631L94.1Very high94.1Very high31 Ų3133.1 Ų33.116%0.16218%0.179CC..Hα-helixtrans-62.7-43171.4179.563.7000111.1M587 V590 W627 I629 Q634 V635 K686M587-L631 HydrophobicContact CE-CD2 4.46Å; M587-L631 HydrophobicContact SD-CD2 4.12Å; V590-L631 HydrophobicContact CG1-CD2 4.48Å; V590-L631 HydrophobicContact CG2-CG 4.33Å; W627-L631 WeakPolarHBondContact O-CB 3.28Å; W627-L631 PolarHBondContact O-N 3.48Å; I629-L631 VanDerWaalsContact C-N 3.33Å; I629-L631 PolarHBondContact O-N 2.81Å; L631-Q634 WeakPolarHBondContact O-CB 3Å; L631-Q634 PolarHBondContact O-N 3.11Å; L631-V635 WeakPolarHBondContact O-CG2 3.47Å; L631-V635 PolarHBondContact O-N 2.58Å; L631-V635 VanDerWaalsContact O-N 3.1Å; L631-K686 HydrophobicContact CB-CD 4.29Å; L631-K686 HydrophobicContact CD1-CD 4.2Å
632C95.9Very high93.9Very high0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-63.1-46175.4-171.70000111.8V590 L612 N628 I629 Q634 V635 V636V590-C632 HydrophobicContact CG2-CB 3.85Å; L612-C632 HydrophobicContact CD1-CB 4.39Å; L612-C632 HydrophobicContact CD2-CB 4.3Å; N628-C632 WeakPolarHBondContact O-CB 3.11Å; N628-C632 PolarHBondContact O-N 3.28Å; I629-C632 WeakPolarHBondContact O-CB 3.17Å; I629-C632 PolarHBondContact O-N 3.17Å; I629-C632 VanDerWaalsContact O-N 3.13Å; C632-Q634 VanDerWaalsContact C-N 3.34Å; C632-Q634 PolarHBondContact O-N 3.31Å; C632-V635 PolarHBondContact O-N 3.02Å; C632-V636 WeakPolarHBondContact O-CB 3.44Å; C632-V636 VanDerWaalsContact O-CG2 3.27Å; C632-V636 WeakPolarHBondContact O-CG2 3.37Å; C632-V636 PolarHBondContact O-N 3.46Å
633L96.8Very high93.8Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-57-45.7174.3-76.7170.7000111.7I609 L612 L613 L616 I629 C630 V635 V636 I637 F647 P687I609-L633 HydrophobicContact CD1-CD2 3.65Å; L612-L633 HydrophobicContact CB-CD2 3.8Å; L612-L633 HydrophobicContact CB-CG 4.09Å; L612-L633 HydrophobicContact CD1-CD2 3.8Å; L612-L633 HydrophobicContact CD1-CG 4.12Å; L612-L633 HydrophobicContact CG-CD2 4.46Å; L613-L633 HydrophobicContact CD2-CD1 4.4Å; L616-L633 HydrophobicContact CD1-CD1 3.76Å; I629-L633 HydrophobicContact CG2-CD1 4.12Å; I629-L633 HydrophobicContact CG2-CG 4.4Å; I629-L633 WeakPolarHBondContact O-CG 3.37Å; I629-L633 PolarHBondContact O-N 2.86Å; C630-L633 PolarHBondContact O-N 3.01Å; L633-V635 VanDerWaalsContact C-N 3.35Å; L633-V635 PolarHBondContact O-N 2.92Å; L633-V636 PolarHBondContact O-N 3.39Å; L633-I637 HydrophobicContact CB-CD1 4.31Å; L633-I637 WeakPolarHBondContact O-CB 3.49Å; L633-I637 WeakPolarHBondContact O-CD1 3.05Å; L633-I637 WeakPolarHBondContact O-CG1 3.22Å; L633-I637 PolarHBondContact O-N 3.13Å; L633-F647 HydrophobicContact CD1-CE2 4.21Å; L633-F647 HydrophobicContact CD2-CD2 4.37Å; L633-P687 HydrophobicContact CB-CB 4.11Å
634Q94.4Very high93.7Very high53 Ų5327.1 Ų27.125%0.24814%0.138CC..Hα-helixtrans-54.3-51.3175.9-178.2-173.517.100111.5C630 L631 C632 S638 K686 S690C630-Q634 WeakPolarHBondContact O-CB 3.43Å; C630-Q634 PolarHBondContact O-N 2.99Å; L631-Q634 WeakPolarHBondContact O-CB 3Å; L631-Q634 PolarHBondContact O-N 3.11Å; C632-Q634 VanDerWaalsContact C-N 3.34Å; C632-Q634 PolarHBondContact O-N 3.31Å; Q634-S638 VanDerWaalsContact O-CB 3.25Å; Q634-S638 WeakPolarHBondContact O-CB 3.46Å; Q634-S638 PolarHBondContact O-N 3.09Å; Q634-S638 PolarHBondContact O-OG 2.85Å; Q634-K686 HydrophobicContact CB-CB 3.8Å; Q634-K686 HydrophobicContact CG-CB 4.08Å; Q634-K686 WeakPolarHBondContact CG-O 3.23Å; Q634-S690 WeakPolarHBondContact CG-OG 3.42Å; Q634-S690 PolarHBondContact O-OG 3.29Å; Q634-S690 VanDerWaalsContact O-OG 3.07Å
635V93.7Very high93.5Very high36 Ų3626.2 Ų26.222%0.21813%0.134CC..Hα-helixtrans-64.4-49.6-178.8178.80000110.3V590 L593 L631 C632 L633 S638 L639V590-V635 HydrophobicContact CG1-CG2 4.45Å; V590-V635 HydrophobicContact CG2-CG2 4.41Å; L593-V635 HydrophobicContact CB-CG1 3.96Å; L593-V635 HydrophobicContact CD1-CB 4.46Å; L593-V635 HydrophobicContact CD1-CG1 3.76Å; L631-V635 WeakPolarHBondContact O-CG2 3.47Å; L631-V635 PolarHBondContact O-N 2.58Å; L631-V635 VanDerWaalsContact O-N 3.1Å; C632-V635 PolarHBondContact O-N 3.02Å; L633-V635 VanDerWaalsContact C-N 3.35Å; L633-V635 PolarHBondContact O-N 2.92Å; V635-S638 PolarHBondContact O-N 3.42Å; V635-S638 PolarHBondContact O-OG 2.95Å; V635-L639 HydrophobicContact CG1-CD1 4.36Å; V635-L639 WeakPolarHBondContact O-CG 3.43Å; V635-L639 PolarHBondContact O-N 2.86Å
636V95.2Very high93.3Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-61.8-49.5-178.2173.30000111.9L593 L608 I609 C632 L633 S638 L639 F643L593-V636 HydrophobicContact CD1-CG2 3.66Å; L608-V636 HydrophobicContact CD2-CG1 4.16Å; L608-V636 HydrophobicContact CD2-CG2 3.83Å; I609-V636 HydrophobicContact CD1-CG1 3.96Å; C632-V636 WeakPolarHBondContact O-CB 3.44Å; C632-V636 VanDerWaalsContact O-CG2 3.27Å; C632-V636 WeakPolarHBondContact O-CG2 3.37Å; C632-V636 PolarHBondContact O-N 3.46Å; L633-V636 PolarHBondContact O-N 3.39Å; V636-S638 VanDerWaalsContact C-N 3.26Å; V636-S638 PolarHBondContact O-N 3.27Å; V636-L639 WeakPolarHBondContact O-CB 3.31Å; V636-L639 PolarHBondContact O-N 3.02Å; V636-L639 VanDerWaalsContact O-N 3.09Å; V636-F643 HydrophobicContact CG1-CB 4.15Å; V636-F643 HydrophobicContact CG1-CD1 4.14Å; V636-F643 HydrophobicContact CG1-CD2 3.31Å; V636-F643 HydrophobicContact CG1-CE1 4.36Å; V636-F643 HydrophobicContact CG1-CE2 3.56Å; V636-F643 HydrophobicContact CG1-CG 3.63Å; V636-F643 HydrophobicContact CG1-CZ 4.08Å; V636-F643 WeakPolarHBondContact O-CD2 3.25Å
637I94.3Very high93Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-60.2-38.8178.1-69.1168.3000110.5I609 L633 L639 S640 A644 F647 P687 L691 Y694I609-I637 HydrophobicContact CD1-CG1 4.13Å; L633-I637 HydrophobicContact CB-CD1 4.31Å; L633-I637 WeakPolarHBondContact O-CB 3.49Å; L633-I637 WeakPolarHBondContact O-CD1 3.05Å; L633-I637 WeakPolarHBondContact O-CG1 3.22Å; L633-I637 PolarHBondContact O-N 3.13Å; I637-L639 PolarHBondContact O-N 3.5Å; I637-S640 PolarHBondContact O-N 2.83Å; I637-A644 HydrophobicContact CG2-CB 4.12Å; I637-F647 HydrophobicContact CD1-CB 4.25Å; I637-F647 HydrophobicContact CD1-CD2 3.86Å; I637-F647 HydrophobicContact CD1-CE2 4.45Å; I637-F647 HydrophobicContact CD1-CG 4.07Å; I637-P687 HydrophobicContact CD1-CB 4.1Å; I637-L691 HydrophobicContact CD1-CD2 4.26Å; I637-L691 HydrophobicContact CD1-CG 4.36Å; I637-L691 HydrophobicContact CG2-CD2 3.73Å; I637-L691 HydrophobicContact CG2-CG 4.08Å; I637-Y694 HydrophobicContact CG2-CE2 4.14Å; I637-Y694 WeakPolarHBondContact O-CE2 3.46Å; I637-Y694 PolarHBondContact O-OH 3.4Å
638S92.4Very high92.6Very high45 Ų4527.1 Ų27.132%0.31514%0.141SC..Hα-helixtrans-68-14.9179.876.20000114.7Q634 V635 V636Q634-S638 VanDerWaalsContact O-CB 3.25Å; Q634-S638 WeakPolarHBondContact O-CB 3.46Å; Q634-S638 PolarHBondContact O-N 3.09Å; Q634-S638 PolarHBondContact O-OG 2.85Å; V635-S638 PolarHBondContact O-N 3.42Å; V635-S638 PolarHBondContact O-OG 2.95Å; V636-S638 VanDerWaalsContact C-N 3.26Å; V636-S638 PolarHBondContact O-N 3.27Å
639L92.6Very high92.1Very high62 Ų6230 Ų3033%0.32516%0.156SC..Hα-helixtrans-91-23.1-179-68.9170.9000113.3L593 K599 I602 V635 V636 I637L593-L639 HydrophobicContact CB-CD1 4.47Å; L593-L639 HydrophobicContact CD1-CD1 4.23Å; L593-L639 HydrophobicContact CD2-CD1 3.67Å; L593-L639 HydrophobicContact CG-CD1 4.34Å; K599-L639 HydrophobicContact CB-CD2 4.49Å; K599-L639 HydrophobicContact CD-CD2 4.1Å; K599-L639 HydrophobicContact CG-CD1 4.31Å; K599-L639 HydrophobicContact CG-CD2 4.13Å; I602-L639 HydrophobicContact CG2-CD1 4.46Å; V635-L639 HydrophobicContact CG1-CD1 4.36Å; V635-L639 WeakPolarHBondContact O-CG 3.43Å; V635-L639 PolarHBondContact O-N 2.86Å; V636-L639 WeakPolarHBondContact O-CB 3.31Å; V636-L639 PolarHBondContact O-N 3.02Å; V636-L639 VanDerWaalsContact O-N 3.09Å; I637-L639 PolarHBondContact O-N 3.5Å
640S90.9Very high91Very high24 Ų2436 Ų3617%0.16818%0.184CC..  trans-155.8132.1-177.9-175.70000113I637 Y642 F643 Y694I637-S640 PolarHBondContact O-N 2.83Å; S640-Y642 PolarHBondContact O-N 3.39Å; S640-Y642 WeakPolarHBondContact OG-CB 3.18Å; S640-Y642 PolarHBondContact OG-N 3.46Å; S640-F643 PolarHBondContact O-N 2.99Å; S640-F643 VanDerWaalsContact O-N 3.12Å; S640-Y694 PolarHBondContact N-OH 3.33Å; S640-Y694 PolarHBondContact O-OH 3.4Å
641E90.2Very high89.6Confident85 Ų8537.8 Ų37.840%0.39720%0.195SC..Hα-helixtrans-60.6-29.2173.3-172.4169.8-164.300111.8F643 A644 L645 Y694 S696E641-F643 PolarHBondContact O-N 3.34Å; E641-A644 WeakPolarHBondContact O-CA 3.45Å; E641-A644 VanDerWaalsContact O-CB 3.29Å; E641-A644 WeakPolarHBondContact O-CB 3.4Å; E641-A644 PolarHBondContact O-N 3.02Å; E641-L645 PolarHBondContact O-N 3.21Å; E641-Y694 HydrophobicContact CB-CD1 3.8Å; E641-Y694 HydrophobicContact CB-CE1 3.6Å; E641-Y694 HydrophobicContact CG-CD1 3.89Å; E641-Y694 HydrophobicContact CG-CE1 4.21Å; E641-Y694 HydrophobicContact CG-CG 4.29Å; E641-Y694 PolarHBondContact N-OH 2.88Å; E641-S696 WeakPolarHBondContact OE1-CB 3.13Å; E641-S696 PolarHBondContact OE1-OG 3.35Å
642Y90.2Very high87.8Confident98 Ų9843.3 Ų43.338%0.38422%0.22SC..Hα-helixtrans-53.4-42.4173.5175.1-104.3000112.4N606 S640 L645 Q646N606-Y642 HydrophobicContact CB-CE1 4.33Å; N606-Y642 WeakPolarHBondContact CB-OH 3.37Å; S640-Y642 PolarHBondContact O-N 3.39Å; S640-Y642 WeakPolarHBondContact OG-CB 3.18Å; S640-Y642 PolarHBondContact OG-N 3.46Å; Y642-L645 PolarHBondContact O-N 3.22Å; Y642-Q646 VanDerWaalsContact CE1-CD 3.48Å; Y642-Q646 HydrophobicContact CE1-CG 4.15Å; Y642-Q646 WeakPolarHBondContact O-CG 3.37Å; Y642-Q646 PolarHBondContact O-N 3.03Å; Y642-Q646 PolarHBondContact OH-NE2 3.37Å
643F93.2Very high85.7Confident0 Ų047.4 Ų47.40%024%0.239CC..Hα-helixtrans-74.8-26.7178.4-69.8-47.4000113.2I602 I609 V636 S640 E641 F647I602-F643 HydrophobicContact CB-CE2 4.43Å; I602-F643 HydrophobicContact CG1-CE2 3.85Å; I602-F643 HydrophobicContact CG1-CZ 4.13Å; I602-F643 HydrophobicContact CG2-CE2 3.93Å; I602-F643 WeakPolarHBondContact O-CZ 3.35Å; I609-F643 HydrophobicContact CD1-CB 3.99Å; I609-F643 HydrophobicContact CD1-CD1 4.28Å; I609-F643 HydrophobicContact CD1-CG 4.34Å; I609-F643 HydrophobicContact CG1-CB 3.9Å; I609-F643 HydrophobicContact CG1-CD1 3.5Å; I609-F643 HydrophobicContact CG1-CE1 4.33Å; I609-F643 HydrophobicContact CG1-CG 4.01Å; V636-F643 HydrophobicContact CG1-CB 4.15Å; V636-F643 HydrophobicContact CG1-CD1 4.14Å; V636-F643 HydrophobicContact CG1-CD2 3.31Å; V636-F643 HydrophobicContact CG1-CE1 4.36Å; V636-F643 HydrophobicContact CG1-CE2 3.56Å; V636-F643 HydrophobicContact CG1-CG 3.63Å; V636-F643 HydrophobicContact CG1-CZ 4.08Å; V636-F643 WeakPolarHBondContact O-CD2 3.25Å; S640-F643 PolarHBondContact O-N 2.99Å; S640-F643 VanDerWaalsContact O-N 3.12Å; E641-F643 PolarHBondContact O-N 3.34Å; F643-F647 WeakPolarHBondContact O-CB 3.49Å; F643-F647 PolarHBondContact O-N 3.24Å
644A89.5Confident83.4Confident0 Ų054.5 Ų54.50%028%0.277CS..Hα-helixtrans-63.9-44.4170.700000110.5I637 E641 F647 T648 L691 Y694 Y697I637-A644 HydrophobicContact CG2-CB 4.12Å; E641-A644 WeakPolarHBondContact O-CA 3.45Å; E641-A644 VanDerWaalsContact O-CB 3.29Å; E641-A644 WeakPolarHBondContact O-CB 3.4Å; E641-A644 PolarHBondContact O-N 3.02Å; A644-F647 WeakPolarHBondContact O-CB 3.42Å; A644-F647 PolarHBondContact O-N 3.06Å; A644-T648 PolarHBondContact O-N 2.95Å; A644-L691 HydrophobicContact CB-CD2 3.6Å; A644-Y694 HydrophobicContact CB-CD2 3.82Å; A644-Y694 HydrophobicContact CB-CE2 3.86Å; A644-Y697 HydrophobicContact CB-CE2 3.8Å; A644-Y697 PolarHBondContact O-OH 3.4Å; A644-Y697 VanDerWaalsContact O-OH 3.06Å
645L88.5Confident81.2Confident84 Ų8461.1 Ų61.144%0.4431%0.308SS..Hα-helixtrans-61.4-49.3175.7-66.5171.1000111.8E641 Y642 F647 T648 D649 Y697E641-L645 PolarHBondContact O-N 3.21Å; Y642-L645 PolarHBondContact O-N 3.22Å; L645-F647 PolarHBondContact O-N 3.29Å; L645-T648 CarbonylContact O-C 3.56Å; L645-T648 WeakPolarHBondContact O-CA 3.39Å; L645-T648 PolarHBondContact O-N 2.85Å; L645-T648 PolarHBondContact O-OG1 3.39Å; L645-D649 PolarHBondContact O-N 3.46Å; L645-Y697 WeakPolarHBondContact CA-OH 3.19Å; L645-Y697 PolarHBondContact N-OH 3.17Å
646Q90.1Very high79.2Confident7 Ų767.7 Ų67.73%0.03334%0.341CS..Hα-helixtrans-59.2-32176.7-72-166.2-40.300113.8N606 I609 Y642 T648 D649N606-Q646 PolarHBondContact O-NE2 2.95Å; N606-Q646 PolarHBondContact O-OE1 3.15Å; I609-Q646 HydrophobicContact CB-CB 4.09Å; I609-Q646 HydrophobicContact CG1-CB 4.26Å; I609-Q646 HydrophobicContact CG2-CB 4.04Å; Y642-Q646 VanDerWaalsContact CE1-CD 3.48Å; Y642-Q646 HydrophobicContact CE1-CG 4.15Å; Y642-Q646 WeakPolarHBondContact O-CG 3.37Å; Y642-Q646 PolarHBondContact O-N 3.03Å; Y642-Q646 PolarHBondContact OH-NE2 3.37Å; Q646-T648 PolarHBondContact O-N 3.32Å; Q646-D649 PolarHBondContact O-N 2.93Å
647F90.1Very high77.1Confident0 Ų075 Ų750%037%0.373CS..Hα-helixtrans-66.7-28.6175.9-177.4-87.3000111.5I609 L613 L633 I637 F643 A644 L645 G663 F664 L667 P687 L691I609-F647 HydrophobicContact CG2-CB 4.24Å; L613-F647 HydrophobicContact CD1-CD2 4.49Å; L613-F647 HydrophobicContact CD2-CD2 3.92Å; L613-F647 HydrophobicContact CD2-CE2 3.64Å; L633-F647 HydrophobicContact CD1-CE2 4.21Å; L633-F647 HydrophobicContact CD2-CD2 4.37Å; I637-F647 HydrophobicContact CD1-CB 4.25Å; I637-F647 HydrophobicContact CD1-CD2 3.86Å; I637-F647 HydrophobicContact CD1-CE2 4.45Å; I637-F647 HydrophobicContact CD1-CG 4.07Å; F643-F647 WeakPolarHBondContact O-CB 3.49Å; F643-F647 PolarHBondContact O-N 3.24Å; A644-F647 WeakPolarHBondContact O-CB 3.42Å; A644-F647 PolarHBondContact O-N 3.06Å; L645-F647 PolarHBondContact O-N 3.29Å; F647-G663 VanDerWaalsContact CE1-C 3.49Å; F647-G663 VanDerWaalsContact CZ-C 3.44Å; F647-G663 VanDerWaalsContact CZ-CA 3.48Å; F647-G663 VanDerWaalsContact O-CA 3.25Å; F647-G663 WeakPolarHBondContact O-CA 3.34Å; F647-G663 PolarHBondContact O-N 3.19Å; F647-F664 HydrophobicContact CE1-CD1 4.23Å; F647-F664 HydrophobicContact CE1-CE1 4.27Å; F647-F664 HydrophobicContact CE1-CG 4.41Å; F647-L667 HydrophobicContact CE1-CD1 4.41Å; F647-L667 HydrophobicContact CZ-CD1 3.73Å; F647-L667 HydrophobicContact CZ-CG 4.02Å; F647-P687 HydrophobicContact CE2-CB 4.35Å; F647-P687 HydrophobicContact CZ-CB 4.47Å; F647-L691 HydrophobicContact CB-CD2 4.48Å; F647-L691 HydrophobicContact CD1-CD1 3.52Å; F647-L691 HydrophobicContact CD1-CD2 4.28Å; F647-L691 HydrophobicContact CD1-CG 4.49Å; F647-L691 HydrophobicContact CE1-CD1 3.57Å; F647-L691 HydrophobicContact CG-CD1 4.34Å; F647-L691 HydrophobicContact CZ-CD1 4.41Å
648T84.7Confident75.2Confident34 Ų3484.9 Ų84.921%0.20942%0.416CS..Hα-helixtrans-94-13.8178.557.80000114.6A644 L645 Q646 E650 N662 F664 Y697A644-T648 PolarHBondContact O-N 2.95Å; L645-T648 CarbonylContact O-C 3.56Å; L645-T648 WeakPolarHBondContact O-CA 3.39Å; L645-T648 PolarHBondContact O-N 2.85Å; L645-T648 PolarHBondContact O-OG1 3.39Å; Q646-T648 PolarHBondContact O-N 3.32Å; T648-E650 PolarHBondContact O-N 2.69Å; T648-N662 VanDerWaalsContact O-CB 3.28Å; T648-N662 WeakPolarHBondContact O-CB 3.35Å; T648-F664 HydrophobicContact CG2-CD2 4.19Å; T648-F664 HydrophobicContact CG2-CE2 3.53Å; T648-F664 HydrophobicContact CG2-CZ 4.32Å; T648-Y697 HydrophobicContact CG2-CE1 3.58Å; T648-Y697 WeakPolarHBondContact CG2-OH 3.3Å; T648-Y697 PolarHBondContact OG1-OH 3.3Å
649D83.5Confident73.8Confident72 Ų7289.1 Ų89.139%0.38543%0.431SS..SBendtrans-59.7138171.7-70-18.6000110.2Y610 L645 Q646 V651 N662Y610-D649 PolarHBondContact OH-OD2 2.65Å; L645-D649 PolarHBondContact O-N 3.46Å; Q646-D649 PolarHBondContact O-N 2.93Å; D649-V651 PolarHBondContact O-N 3.1Å; D649-N662 WeakPolarHBondContact O-CB 3.19Å
650E75.3Confident72.7Confident124 Ų12490.5 Ų90.558%0.57943%0.434SS*.PPolyproline II helixtrans-65.1117.1171.5-83.1-175.7-175.300110T648 K660T648-E650 PolarHBondContact O-N 2.69Å; E650-K660 HydrophobicContact CB-CB 3.95Å; E650-K660 HydrophobicContact CB-CD 4.11Å; E650-K660 HydrophobicContact CG-CB 4.1Å; E650-K660 WeakPolarHBondContact OE2-CD 3.47Å
651V65.6Low72.3Confident39 Ų3991.7 Ų91.724%0.23644%0.436CS..BIsolated β-bridgetrans-80.8127.2175-1710000108.8Y610 L613 D649 E653 K661Y610-V651 HydrophobicContact CD1-CG2 3.92Å; Y610-V651 HydrophobicContact CE1-CG2 4.22Å; L613-V651 HydrophobicContact CD1-CG2 4.17Å; D649-V651 PolarHBondContact O-N 3.1Å; V651-E653 PolarHBondContact O-N 3.39Å; V651-K661 WeakPolarHBondContact CB-O 3.32Å; V651-K661 WeakPolarHBondContact CG2-O 3.35Å; V651-K661 PolarHBondContact N-O 3.09Å; V651-K661 PolarHBondContact O-N 3.41Å
652E57.7Low72.1Confident147 Ų14788 Ų8869%0.68742%0.419SS*.PPolyproline II helixtrans-70.9118.7171.2-77.2-176.8169.900110K660E652-K660 HydrophobicContact CG-CD 4.46Å; E652-K660 IonicContact OE1-NZ 2.75Å; E652-K660 PolarHBondContact OE1-NZ 3.4Å
653E50.5Low72.1Confident86 Ų8683.3 Ų83.340%0.40240%0.401SS..PPolyproline II helixtrans-83.4152.4171-155.6175.5-148.300109.7V651 K657V651-E653 PolarHBondContact O-N 3.39Å; E653-K657 WeakPolarHBondContact OE2-CB 3.46Å
654D48.5Very low71.8Confident148 Ų14883.6 Ų83.679%0.79140%0.402SS*.  trans-45.9148.4175.5-93.5-39.9000113.2L656 K657D654-L656 PolarHBondContact O-N 2.99Å; D654-K657 PolarHBondContact O-N 3.34Å
655E49.2Very low71.8Confident193 Ų19385.1 Ų85.190%0.90241%0.41SS*.THydrogen-bonded Turntrans-46.5-11.1-164.7-64.3-171.3148.500118.5
656L50.9Low72Confident174 Ų17481.1 Ų81.191%0.91139%0.389SS*.THydrogen-bonded Turntrans-99.4-16.5-174.1-81.4150.3000115D654D654-L656 PolarHBondContact O-N 2.99Å
657K50.4Low72.1Confident153 Ų15380.9 Ų80.967%0.66539%0.388SS*.  trans-135.898.2176.5-70.8-174.5-179179.10110.7E653 D654 E659E653-K657 WeakPolarHBondContact OE2-CB 3.46Å; D654-K657 PolarHBondContact O-N 3.34Å; K657-E659 PolarHBondContact O-N 3.13Å
658K54.8Low72.1Confident207 Ų20785.1 Ų85.190%0.941%0.405SS*.  trans-67.819.6-176.6-75.9-177.4172.6179.30115.9K660K658-K660 PolarHBondContact O-N 3.46Å
659E62.8Low72.4Confident135 Ų13585.9 Ų85.963%0.63141%0.407SS*.  trans-91.291.7-178.8-145.4177.5-154.400109.7K657 K661K657-E659 PolarHBondContact O-N 3.13Å; E659-K661 PolarHBondContact O-N 2.93Å
660K71.2Confident72.9Confident90 Ų9082.4 Ų82.439%0.39139%0.389SS..  trans-59.4126173.5-68.5-172.5177.1-148.80109.4E650 E652 K658E650-K660 HydrophobicContact CB-CB 3.95Å; E650-K660 HydrophobicContact CB-CD 4.11Å; E650-K660 HydrophobicContact CG-CB 4.1Å; E650-K660 WeakPolarHBondContact OE2-CD 3.47Å; E652-K660 HydrophobicContact CG-CD 4.46Å; E652-K660 IonicContact OE1-NZ 2.75Å; E652-K660 PolarHBondContact OE1-NZ 3.4Å; K658-K660 PolarHBondContact O-N 3.46Å
661K81.6Confident73.7Confident50 Ų5078 Ų7822%0.21737%0.367CS..BIsolated β-bridgetrans-119.6131.2179.5-73.6177.6-175.1165.50109.4V651 E659 D665 I666V651-K661 WeakPolarHBondContact CB-O 3.32Å; V651-K661 WeakPolarHBondContact CG2-O 3.35Å; V651-K661 PolarHBondContact N-O 3.09Å; V651-K661 PolarHBondContact O-N 3.41Å; E659-K661 PolarHBondContact O-N 2.93Å; K661-D665 HydrophobicContact CB-CB 3.87Å; K661-D665 HydrophobicContact CG-CB 3.93Å; K661-I666 HydrophobicContact CB-CG1 4.29Å
662N85.9Confident74.9Confident6 Ų680.2 Ų80.23%0.03238%0.377CS..  trans-90.6178.816766.232.6000110.7T648 D649 F664 D665 I666T648-N662 VanDerWaalsContact O-CB 3.28Å; T648-N662 WeakPolarHBondContact O-CB 3.35Å; D649-N662 WeakPolarHBondContact O-CB 3.19Å; N662-F664 VanDerWaalsContact C-N 3.25Å; N662-F664 PolarHBondContact O-N 3.2Å; N662-F664 WeakPolarHBondContact OD1-CA 3.41Å; N662-F664 WeakPolarHBondContact OD1-CB 3.34Å; N662-F664 PolarHBondContact OD1-N 2.79Å; N662-D665 PolarHBondContact N-OD2 3.41Å; N662-D665 WeakPolarHBondContact O-CB 3.17Å; N662-D665 PolarHBondContact O-N 3.36Å; N662-D665 VanDerWaalsContact O-N 3.15Å; N662-D665 PolarHBondContact OD1-N 3.3Å; N662-D665 PolarHBondContact OD1-OD2 3.24Å; N662-I666 WeakPolarHBondContact O-CG1 3.31Å; N662-I666 PolarHBondContact O-N 3.25Å; N662-I666 VanDerWaalsContact O-N 3.16Å
663G89.3Confident76.6Confident0 Ų076.1 Ų76.10%036%0.359CS..Hα-helixtrans-57-35.2178.800000113.7F647 I666 L667F647-G663 VanDerWaalsContact CE1-C 3.49Å; F647-G663 VanDerWaalsContact CZ-C 3.44Å; F647-G663 VanDerWaalsContact CZ-CA 3.48Å; F647-G663 VanDerWaalsContact O-CA 3.25Å; F647-G663 WeakPolarHBondContact O-CA 3.34Å; F647-G663 PolarHBondContact O-N 3.19Å; G663-I666 PolarHBondContact O-N 3.38Å; G663-L667 WeakPolarHBondContact O-CG 3.45Å; G663-L667 PolarHBondContact O-N 2.44Å
664F88.3Confident78.6Confident7 Ų773.4 Ų73.43%0.03135%0.347CS..Hα-helixtrans-68-39.8176.8-65.1-65.4000112.5F647 T648 N662 I666 L667 Y668 L691 E706 L710 M713F647-F664 HydrophobicContact CE1-CD1 4.23Å; F647-F664 HydrophobicContact CE1-CE1 4.27Å; F647-F664 HydrophobicContact CE1-CG 4.41Å; T648-F664 HydrophobicContact CG2-CD2 4.19Å; T648-F664 HydrophobicContact CG2-CE2 3.53Å; T648-F664 HydrophobicContact CG2-CZ 4.32Å; N662-F664 VanDerWaalsContact C-N 3.25Å; N662-F664 PolarHBondContact O-N 3.2Å; N662-F664 WeakPolarHBondContact OD1-CA 3.41Å; N662-F664 WeakPolarHBondContact OD1-CB 3.34Å; N662-F664 PolarHBondContact OD1-N 2.79Å; F664-I666 PolarHBondContact O-N 3.13Å; F664-L667 PolarHBondContact O-N 3.06Å; F664-Y668 WeakPolarHBondContact O-CB 3.27Å; F664-Y668 PolarHBondContact O-N 3.26Å; F664-L691 HydrophobicContact CE1-CD1 3.85Å; F664-L691 HydrophobicContact CZ-CD1 3.77Å; F664-E706 HydrophobicContact CD2-CB 4.26Å; F664-E706 HydrophobicContact CD2-CG 4.46Å; F664-E706 HydrophobicContact CE2-CB 4.47Å; F664-L710 HydrophobicContact CD1-CD1 3.95Å; F664-L710 HydrophobicContact CE1-CB 4.46Å; F664-L710 HydrophobicContact CE1-CD1 3.47Å; F664-L710 VanDerWaalsContact CE1-CD1 3.47Å; F664-L710 HydrophobicContact CE1-CD2 4.1Å; F664-L710 HydrophobicContact CE1-CG 4.22Å; F664-L710 HydrophobicContact CZ-CD1 4.39Å; F664-L710 HydrophobicContact CZ-CD2 4.23Å; F664-M713 HydrophobicContact CB-CE 4.46Å; F664-M713 HydrophobicContact CD1-CE 4.05Å
665D88.5Confident80.4Confident31 Ų3169.1 Ų69.117%0.16633%0.327CS..Hα-helixtrans-61.9-37.4175.9-60.8-45.7000111.4K661 N662 L669 K709K661-D665 HydrophobicContact CB-CB 3.87Å; K661-D665 HydrophobicContact CG-CB 3.93Å; N662-D665 PolarHBondContact N-OD2 3.41Å; N662-D665 WeakPolarHBondContact O-CB 3.17Å; N662-D665 PolarHBondContact O-N 3.36Å; N662-D665 VanDerWaalsContact O-N 3.15Å; N662-D665 PolarHBondContact OD1-N 3.3Å; N662-D665 PolarHBondContact OD1-OD2 3.24Å; D665-L669 VanDerWaalsContact O-CB 3.27Å; D665-L669 WeakPolarHBondContact O-CB 3.1Å; D665-L669 PolarHBondContact O-N 3.26Å; D665-K709 IonicContact OD1-NZ 2.81Å; D665-K709 PolarHBondContact OD1-NZ 2.86Å
666I92.1Very high82.3Confident1 Ų167.1 Ų67.11%0.00532%0.322CS..Hα-helixtrans-69.4-44.2177.5-63.3165.7000110.9L613 L616 I617 K661 N662 G663 F664 L669 I670L613-I666 HydrophobicContact CB-CD1 3.84Å; L613-I666 HydrophobicContact CD1-CD1 4.3Å; L613-I666 HydrophobicContact CD2-CD1 4.01Å; L613-I666 HydrophobicContact CG-CD1 4.26Å; L616-I666 HydrophobicContact CB-CG2 3.77Å; L616-I666 HydrophobicContact CD1-CG2 4.25Å; I617-I666 HydrophobicContact CD1-CD1 3.66Å; I617-I666 HydrophobicContact CD1-CG1 3.92Å; I617-I666 HydrophobicContact CG1-CD1 3.96Å; I617-I666 HydrophobicContact CG1-CG1 3.88Å; I617-I666 HydrophobicContact CG1-CG2 3.95Å; K661-I666 HydrophobicContact CB-CG1 4.29Å; N662-I666 WeakPolarHBondContact O-CG1 3.31Å; N662-I666 PolarHBondContact O-N 3.25Å; N662-I666 VanDerWaalsContact O-N 3.16Å; G663-I666 PolarHBondContact O-N 3.38Å; F664-I666 PolarHBondContact O-N 3.13Å; I666-L669 WeakPolarHBondContact O-CB 3.18Å; I666-L669 PolarHBondContact O-N 3.36Å; I666-I670 HydrophobicContact CG2-CD1 4.18Å; I666-I670 WeakPolarHBondContact O-CG1 3.45Å; I666-I670 PolarHBondContact O-N 2.85Å
667L92.9Very high84.1Confident1 Ų161.1 Ų61.11%0.00529%0.292CS..Hα-helixtrans-62.7-43.8176.1-64.6-177.1000111.4L616 F647 G663 F664 L669 I670 Y671 L684 P687 I688 M713L616-L667 HydrophobicContact CD1-CD2 4.17Å; F647-L667 HydrophobicContact CE1-CD1 4.41Å; F647-L667 HydrophobicContact CZ-CD1 3.73Å; F647-L667 HydrophobicContact CZ-CG 4.02Å; G663-L667 WeakPolarHBondContact O-CG 3.45Å; G663-L667 PolarHBondContact O-N 2.44Å; F664-L667 PolarHBondContact O-N 3.06Å; L667-L669 VanDerWaalsContact C-N 3.35Å; L667-L669 PolarHBondContact O-N 3.25Å; L667-I670 PolarHBondContact O-N 3.16Å; L667-Y671 PolarHBondContact O-N 3.29Å; L667-L684 HydrophobicContact CB-CD2 4.31Å; L667-L684 HydrophobicContact CD2-CD2 3.5Å; L667-L684 VanDerWaalsContact CD2-CD2 3.5Å; L667-L684 HydrophobicContact CG-CD2 4.46Å; L667-P687 HydrophobicContact CD1-CG 3.94Å; L667-P687 HydrophobicContact CD2-CG 4.11Å; L667-I688 HydrophobicContact CD1-CD1 4.1Å; L667-I688 HydrophobicContact CD1-CG1 3.82Å; L667-M713 HydrophobicContact CB-SD 4.42Å
668Y89.5Confident85.9Confident90 Ų9059 Ų5935%0.35329%0.291SS..Hα-helixtrans-63.9-40.1177.4-172.7-108.6000112F664 I670 Y671 N672 M713F664-Y668 WeakPolarHBondContact O-CB 3.27Å; F664-Y668 PolarHBondContact O-N 3.26Å; Y668-I670 VanDerWaalsContact C-N 3.32Å; Y668-I670 PolarHBondContact O-N 3.36Å; Y668-Y671 HydrophobicContact CE2-CD1 4.47Å; Y668-Y671 PolarHBondContact O-N 3.3Å; Y668-N672 WeakPolarHBondContact CD1-ND2 3.43Å; Y668-N672 WeakPolarHBondContact CE1-ND2 3.15Å; Y668-N672 PolarHBondContact O-N 3.37Å; Y668-N672 PolarHBondContact O-ND2 2.81Å; Y668-M713 HydrophobicContact CD2-CG 3.76Å; Y668-M713 HydrophobicContact CD2-SD 4.03Å; Y668-M713 HydrophobicContact CE2-CG 4.48Å; Y668-M713 HydrophobicContact CG-SD 4.47Å
669L91.4Very high87.5Confident49 Ų4954.9 Ų54.926%0.25727%0.273SS..Hα-helixtrans-57.4-45.1172.4173.866.2000111.6K620 D665 I666 L667 I673K620-L669 HydrophobicContact CD-CD2 4.42Å; D665-L669 VanDerWaalsContact O-CB 3.27Å; D665-L669 WeakPolarHBondContact O-CB 3.1Å; D665-L669 PolarHBondContact O-N 3.26Å; I666-L669 WeakPolarHBondContact O-CB 3.18Å; I666-L669 PolarHBondContact O-N 3.36Å; L667-L669 VanDerWaalsContact C-N 3.35Å; L667-L669 PolarHBondContact O-N 3.25Å; L669-I673 HydrophobicContact CD1-CD1 4.39Å; L669-I673 HydrophobicContact CG-CD1 4.33Å; L669-I673 WeakPolarHBondContact O-CD1 3.44Å; L669-I673 VanDerWaalsContact O-CG1 3.32Å; L669-I673 WeakPolarHBondContact O-CG1 3.45Å; L669-I673 PolarHBondContact O-N 2.84Å
670I94.2Very high88.8Confident0 Ų048.5 Ų48.50%024%0.244CC..Hα-helixtrans-68.4-41.2179.1-67.1164.5000111.2L616 K620 I626 I666 L667 Y668 N672 I673 H674 V680 L684L616-I670 HydrophobicContact CB-CD1 3.81Å; L616-I670 HydrophobicContact CD1-CD1 4.26Å; L616-I670 HydrophobicContact CD2-CD1 3.97Å; L616-I670 HydrophobicContact CG-CD1 4.22Å; K620-I670 HydrophobicContact CB-CG1 4.03Å; I626-I670 HydrophobicContact CD1-CG2 3.93Å; I626-I670 HydrophobicContact CG2-CG2 4.3Å; I666-I670 HydrophobicContact CG2-CD1 4.18Å; I666-I670 WeakPolarHBondContact O-CG1 3.45Å; I666-I670 PolarHBondContact O-N 2.85Å; L667-I670 PolarHBondContact O-N 3.16Å; Y668-I670 VanDerWaalsContact C-N 3.32Å; Y668-I670 PolarHBondContact O-N 3.36Å; I670-N672 VanDerWaalsContact C-N 3.33Å; I670-N672 PolarHBondContact O-N 2.93Å; I670-I673 WeakPolarHBondContact O-CB 3.22Å; I670-I673 PolarHBondContact O-N 3.26Å; I670-I673 VanDerWaalsContact O-N 3.08Å; I670-H674 PolarHBondContact O-N 2.94Å; I670-V680 HydrophobicContact CG2-CG1 3.7Å; I670-L684 HydrophobicContact CB-CD1 4.41Å; I670-L684 HydrophobicContact CB-CD2 4.01Å; I670-L684 HydrophobicContact CD1-CD2 4.31Å; I670-L684 HydrophobicContact CG2-CD1 4.17Å; I670-L684 HydrophobicContact CG2-CD2 3.89Å; I670-L684 HydrophobicContact CG2-CG 4.47Å
671Y91.7Very high89.7Confident32 Ų3245.6 Ų45.613%0.12523%0.232CC..Hα-helixtrans-56.7-46.7175.5174.2-112.3000111.6L667 Y668 I673 H674 P675 I681 E716 L717L667-Y671 PolarHBondContact O-N 3.29Å; Y668-Y671 HydrophobicContact CE2-CD1 4.47Å; Y668-Y671 PolarHBondContact O-N 3.3Å; Y671-I673 PolarHBondContact O-N 2.78Å; Y671-I673 VanDerWaalsContact O-N 3.16Å; Y671-H674 CarbonylContact O-C 3.56Å; Y671-H674 PolarHBondContact O-N 2.88Å; Y671-P675 WeakPolarHBondContact O-CA 3.22Å; Y671-P675 WeakPolarHBondContact O-CD 3.45Å; Y671-I681 HydrophobicContact CD2-CG1 4.36Å; Y671-I681 HydrophobicContact CE2-CD1 4.5Å; Y671-I681 HydrophobicContact CE2-CG1 4.36Å; Y671-E716 HydrophobicContact CE1-CB 4.37Å; Y671-L717 HydrophobicContact CD2-CD2 3.39Å; Y671-L717 HydrophobicContact CD2-CG 4.36Å; Y671-L717 HydrophobicContact CE2-CD2 3.44Å; Y671-L717 VanDerWaalsContact CE2-CD2 3.44Å; Y671-L717 HydrophobicContact CE2-CG 4.26Å; Y671-L717 HydrophobicContact CG-CD2 4.27Å
672N91.3Very high90.1Very high84 Ų8447.6 Ų47.645%0.44924%0.242SC..Hα-helixtrans-61.6-24.3177-73-26.1000114Y668 I670Y668-N672 WeakPolarHBondContact CD1-ND2 3.43Å; Y668-N672 WeakPolarHBondContact CE1-ND2 3.15Å; Y668-N672 PolarHBondContact O-N 3.37Å; Y668-N672 PolarHBondContact O-ND2 2.81Å; I670-N672 VanDerWaalsContact C-N 3.33Å; I670-N672 PolarHBondContact O-N 2.93Å
673I93.4Very high90.4Very high61 Ų6147.3 Ų47.331%0.31324%0.241SC..Hα-helixtrans-82.3-33.7175.4-64.1165.4000110.8K620 L669 I670 Y671 P675K620-I673 HydrophobicContact CB-CD1 4Å; K620-I673 HydrophobicContact CD-CD1 3.59Å; K620-I673 HydrophobicContact CG-CD1 3.8Å; L669-I673 HydrophobicContact CD1-CD1 4.39Å; L669-I673 HydrophobicContact CG-CD1 4.33Å; L669-I673 WeakPolarHBondContact O-CD1 3.44Å; L669-I673 VanDerWaalsContact O-CG1 3.32Å; L669-I673 WeakPolarHBondContact O-CG1 3.45Å; L669-I673 PolarHBondContact O-N 2.84Å; I670-I673 WeakPolarHBondContact O-CB 3.22Å; I670-I673 PolarHBondContact O-N 3.26Å; I670-I673 VanDerWaalsContact O-N 3.08Å; Y671-I673 PolarHBondContact O-N 2.78Å; Y671-I673 VanDerWaalsContact O-N 3.16Å; I673-P675 WeakPolarHBondContact O-CD 3.43Å
674H92.2Very high90.6Very high29 Ų2947.4 Ų47.413%0.13424%0.241CC..  trans-125.856.5-175.5-59.9-86.1000113K620 I670 Y671 D676 N677 V680K620-H674 PolarHBondContact O-CD2 3.22Å; K620-H674 PolarHBondContact O-NE2 2.68Å; I670-H674 PolarHBondContact O-N 2.94Å; Y671-H674 CarbonylContact O-C 3.56Å; Y671-H674 PolarHBondContact O-N 2.88Å; H674-D676 PolarHBondContact O-N 3.03Å; H674-N677 HydrophobicContact CB-CB 3.9Å; H674-N677 PolarHBondContact O-N 3.16Å; H674-V680 HydrophobicContact CB-CB 4.05Å; H674-V680 HydrophobicContact CB-CG1 3.86Å; H674-V680 HydrophobicContact CB-CG2 4.21Å
675P86.4Confident90.7Very high59 Ų5949.4 Ų49.438%0.38325%0.252SS..THydrogen-bonded Turntrans-64.8-25.6-17326.3-35.6000113.4Y671 I673 I681Y671-P675 WeakPolarHBondContact O-CA 3.22Å; Y671-P675 WeakPolarHBondContact O-CD 3.45Å; I673-P675 WeakPolarHBondContact O-CD 3.43Å; P675-I681 WeakPolarHBondContact O-CD1 3.29Å
676D88.9Confident90.8Very high150 Ų15049.2 Ų49.280%0.80225%0.25SC*.THydrogen-bonded Turntrans-108.13.7-176.7-58.9-45.8000113.5H674 T678H674-D676 PolarHBondContact O-N 3.03Å; D676-T678 PolarHBondContact O-N 2.95Å
677N90.2Very high90.8Very high49 Ų4949.2 Ų49.226%0.26225%0.25SC..  trans-91.195.6-178-169.6-30.3000110.9H674 K679 V680 I681H674-N677 HydrophobicContact CB-CB 3.9Å; H674-N677 PolarHBondContact O-N 3.16Å; N677-K679 PolarHBondContact O-N 3.28Å; N677-K679 VanDerWaalsContact O-N 3.08Å; N677-K679 PolarHBondContact OD1-N 2.73Å; N677-V680 HydrophobicContact CB-CB 4.01Å; N677-V680 HydrophobicContact CB-CG2 4.01Å; N677-V680 PolarHBondContact O-N 2.96Å; N677-V680 PolarHBondContact OD1-N 2.95Å; N677-I681 WeakPolarHBondContact O-CG1 3.4Å; N677-I681 PolarHBondContact O-N 2.96Å
678T87.8Confident90.6Very high108 Ų10849.5 Ų49.566%0.66325%0.251SS*.Hα-helixtrans-52.3-36.3-178.5-42.60000113.3D676 E682D676-T678 PolarHBondContact O-N 2.95Å; T678-E682 WeakPolarHBondContact O-CB 3.48Å; T678-E682 PolarHBondContact O-N 3.4Å
679K87.5Confident90.5Very high120 Ų12048.9 Ų48.952%0.52226%0.257SS..Hα-helixtrans-69.3-40.2178.1-70.2-173.8176.7-176.60112.1W627 N677 A683W627-K679 HydrophobicContact CE3-CB 4.47Å; W627-K679 VanDerWaalsContact CE3-O 3.25Å; W627-K679 HydrophobicContact CZ3-CB 4.48Å; W627-K679 WeakPolarHBondContact CZ3-O 3.39Å; N677-K679 PolarHBondContact O-N 3.28Å; N677-K679 VanDerWaalsContact O-N 3.08Å; N677-K679 PolarHBondContact OD1-N 2.73Å; K679-A683 WeakPolarHBondContact O-CB 3.42Å; K679-A683 PolarHBondContact O-N 3.42Å
680V91.4Very high90.4Very high1 Ų146.6 Ų46.61%0.00625%0.245CC..Hα-helixtrans-67.3-45.7176.1174.30000109.5P623 I626 I670 H674 N677 E682 A683 L684P623-V680 HydrophobicContact CB-CG2 3.81Å; P623-V680 HydrophobicContact CG-CG2 4.12Å; I626-V680 HydrophobicContact CD1-CG2 4.49Å; I626-V680 HydrophobicContact CG2-CG1 4.26Å; I670-V680 HydrophobicContact CG2-CG1 3.7Å; H674-V680 HydrophobicContact CB-CB 4.05Å; H674-V680 HydrophobicContact CB-CG1 3.86Å; H674-V680 HydrophobicContact CB-CG2 4.21Å; N677-V680 HydrophobicContact CB-CB 4.01Å; N677-V680 HydrophobicContact CB-CG2 4.01Å; N677-V680 PolarHBondContact O-N 2.96Å; N677-V680 PolarHBondContact OD1-N 2.95Å; V680-E682 PolarHBondContact O-N 3.33Å; V680-A683 WeakPolarHBondContact O-CA 3.35Å; V680-A683 VanDerWaalsContact O-CB 3.31Å; V680-A683 WeakPolarHBondContact O-CB 3.32Å; V680-A683 PolarHBondContact O-N 3.19Å; V680-L684 HydrophobicContact CG1-CD1 4.11Å; V680-L684 HydrophobicContact CG1-CG 4.2Å; V680-L684 VanDerWaalsContact O-CG 3.31Å; V680-L684 WeakPolarHBondContact O-CG 3.37Å; V680-L684 PolarHBondContact O-N 3.02Å
681I90Very high90.1Very high30 Ų3046.7 Ų46.715%0.15425%0.245CC..Hα-helixtrans-53.7-51.8175-70.5168.2000111.2Y671 P675 N677 A683 L684 L685 L717Y671-I681 HydrophobicContact CD2-CG1 4.36Å; Y671-I681 HydrophobicContact CE2-CD1 4.5Å; Y671-I681 HydrophobicContact CE2-CG1 4.36Å; P675-I681 WeakPolarHBondContact O-CD1 3.29Å; N677-I681 WeakPolarHBondContact O-CG1 3.4Å; N677-I681 PolarHBondContact O-N 2.96Å; I681-A683 VanDerWaalsContact C-N 3.27Å; I681-A683 PolarHBondContact O-N 3.5Å; I681-L684 PolarHBondContact O-N 3.47Å; I681-L684 VanDerWaalsContact O-N 3.17Å; I681-L685 HydrophobicContact CG2-CD1 4.42Å; I681-L685 WeakPolarHBondContact O-CG 3.48Å; I681-L685 PolarHBondContact O-N 3.1Å; I681-L685 VanDerWaalsContact O-N 3.08Å; I681-L717 HydrophobicContact CB-CD2 3.97Å; I681-L717 HydrophobicContact CG1-CD2 3.76Å; I681-L717 HydrophobicContact CG2-CB 4.25Å; I681-L717 HydrophobicContact CG2-CD2 3.54Å; I681-L717 HydrophobicContact CG2-CG 4.49Å
682E89.5Confident89.6Confident91 Ų9147.1 Ų47.143%0.42525%0.249SC..Hα-helixtrans-61.5-36.7178-163.8-152.1135.800112W627 T678 V680 L685 K686W627-E682 HydrophobicContact CH2-CG 4.4Å; W627-E682 WeakPolarHBondContact CH2-OE1 3.23Å; W627-E682 VanDerWaalsContact CH2-OE2 3.29Å; W627-E682 WeakPolarHBondContact CH2-OE2 3.38Å; W627-E682 HydrophobicContact CZ3-CB 4.04Å; W627-E682 HydrophobicContact CZ3-CG 4.31Å; W627-E682 WeakPolarHBondContact CZ3-OE2 3.32Å; T678-E682 WeakPolarHBondContact O-CB 3.48Å; T678-E682 PolarHBondContact O-N 3.4Å; V680-E682 PolarHBondContact O-N 3.33Å; E682-L685 PolarHBondContact O-N 3.22Å; E682-K686 WeakPolarHBondContact O-CG 3.46Å; E682-K686 IonicContact OE1-NZ 3.33Å; E682-K686 PolarHBondContact OE1-NZ 3.13Å
683A91.5Very high89.2Confident0 Ų049.4 Ų49.40%026%0.255CS..Hα-helixtrans-62.7-48.4173.600000112I626 W627 C630 K679 V680 I681 L685 K686 P687I626-A683 HydrophobicContact CG2-CB 4.38Å; W627-A683 HydrophobicContact CB-CB 4.24Å; W627-A683 HydrophobicContact CD2-CB 4.32Å; W627-A683 HydrophobicContact CE3-CB 3.84Å; C630-A683 HydrophobicContact CB-CB 4.07Å; C630-A683 WeakPolarHBondContact CB-O 3.38Å; K679-A683 WeakPolarHBondContact O-CB 3.42Å; K679-A683 PolarHBondContact O-N 3.42Å; V680-A683 WeakPolarHBondContact O-CA 3.35Å; V680-A683 VanDerWaalsContact O-CB 3.31Å; V680-A683 WeakPolarHBondContact O-CB 3.32Å; V680-A683 PolarHBondContact O-N 3.19Å; I681-A683 VanDerWaalsContact C-N 3.27Å; I681-A683 PolarHBondContact O-N 3.5Å; A683-L685 PolarHBondContact O-N 3.2Å; A683-K686 VanDerWaalsContact O-CB 3.27Å; A683-K686 WeakPolarHBondContact O-CB 3.46Å; A683-K686 WeakPolarHBondContact O-CG 3.33Å; A683-K686 PolarHBondContact O-N 3.12Å; A683-P687 VanDerWaalsContact O-CD 3.3Å; A683-P687 WeakPolarHBondContact O-CD 3.36Å
684L93.1Very high88.7Confident3 Ų348.2 Ų48.22%0.01625%0.247CC..Hα-helixtrans-61.3-32.1-179.8-62.6176.5000112I626 L667 I670 V680 I681 K686 P687I626-L684 HydrophobicContact CG2-CD2 4.41Å; L667-L684 HydrophobicContact CB-CD2 4.31Å; L667-L684 HydrophobicContact CD2-CD2 3.5Å; L667-L684 VanDerWaalsContact CD2-CD2 3.5Å; L667-L684 HydrophobicContact CG-CD2 4.46Å; I670-L684 HydrophobicContact CB-CD1 4.41Å; I670-L684 HydrophobicContact CB-CD2 4.01Å; I670-L684 HydrophobicContact CD1-CD2 4.31Å; I670-L684 HydrophobicContact CG2-CD1 4.17Å; I670-L684 HydrophobicContact CG2-CD2 3.89Å; I670-L684 HydrophobicContact CG2-CG 4.47Å; V680-L684 HydrophobicContact CG1-CD1 4.11Å; V680-L684 HydrophobicContact CG1-CG 4.2Å; V680-L684 VanDerWaalsContact O-CG 3.31Å; V680-L684 WeakPolarHBondContact O-CG 3.37Å; V680-L684 PolarHBondContact O-N 3.02Å; I681-L684 PolarHBondContact O-N 3.47Å; I681-L684 VanDerWaalsContact O-N 3.17Å; L684-K686 VanDerWaalsContact C-N 3.25Å; L684-K686 PolarHBondContact O-N 3.45Å; L684-P687 VanDerWaalsContact O-CD 3.3Å; L684-P687 WeakPolarHBondContact O-CD 3.32Å; L684-P687 WeakPolarHBondContact O-CG 3.21Å
685L90.4Very high87.5Confident49 Ų4953.5 Ų53.526%0.25727%0.272SS..Hα-helixtrans-67.6-21.1175.4-70.7174.3000113.6I681 E682 A683 I688 T689 L717I681-L685 HydrophobicContact CG2-CD1 4.42Å; I681-L685 WeakPolarHBondContact O-CG 3.48Å; I681-L685 PolarHBondContact O-N 3.1Å; I681-L685 VanDerWaalsContact O-N 3.08Å; E682-L685 PolarHBondContact O-N 3.22Å; A683-L685 PolarHBondContact O-N 3.2Å; L685-I688 HydrophobicContact CD2-CD1 4.45Å; L685-I688 PolarHBondContact O-N 3.2Å; L685-T689 WeakPolarHBondContact O-CB 3.47Å; L685-T689 PolarHBondContact O-N 3.23Å; L685-T689 PolarHBondContact O-OG1 3.39Å; L685-L717 HydrophobicContact CD2-CB 4.06Å; L685-L717 HydrophobicContact CD2-CD1 3.72Å; L685-L717 HydrophobicContact CG-CB 4.49Å; L685-L717 HydrophobicContact CG-CD1 4.25Å
686K91.4Very high86.4Confident27 Ų2752.7 Ų52.712%0.11727%0.267CS..Hα-helixtrans-63-56-177.8-59.9-171.7-169-55.10113L631 Q634 E682 A683 L684 I688 T689 S690L631-K686 HydrophobicContact CB-CD 4.29Å; L631-K686 HydrophobicContact CD1-CD 4.2Å; Q634-K686 HydrophobicContact CB-CB 3.8Å; Q634-K686 HydrophobicContact CG-CB 4.08Å; Q634-K686 WeakPolarHBondContact CG-O 3.23Å; E682-K686 WeakPolarHBondContact O-CG 3.46Å; E682-K686 IonicContact OE1-NZ 3.33Å; E682-K686 PolarHBondContact OE1-NZ 3.13Å; A683-K686 VanDerWaalsContact O-CB 3.27Å; A683-K686 WeakPolarHBondContact O-CB 3.46Å; A683-K686 WeakPolarHBondContact O-CG 3.33Å; A683-K686 PolarHBondContact O-N 3.12Å; L684-K686 VanDerWaalsContact C-N 3.25Å; L684-K686 PolarHBondContact O-N 3.45Å; K686-I688 VanDerWaalsContact C-N 3.34Å; K686-I688 PolarHBondContact O-N 3.16Å; K686-T689 PolarHBondContact O-N 3.06Å; K686-S690 PolarHBondContact O-N 3.06Å; K686-S690 PolarHBondContact O-OG 3Å
687P92.3Very high85Confident0 Ų047.4 Ų47.40%024%0.237CC..Hα-helixtrans-61.4-41.3174.822.9-33.1000112L633 I637 F647 L667 A683 L684 T689 S690 L691L633-P687 HydrophobicContact CB-CB 4.11Å; I637-P687 HydrophobicContact CD1-CB 4.1Å; F647-P687 HydrophobicContact CE2-CB 4.35Å; F647-P687 HydrophobicContact CZ-CB 4.47Å; L667-P687 HydrophobicContact CD1-CG 3.94Å; L667-P687 HydrophobicContact CD2-CG 4.11Å; A683-P687 VanDerWaalsContact O-CD 3.3Å; A683-P687 WeakPolarHBondContact O-CD 3.36Å; L684-P687 VanDerWaalsContact O-CD 3.3Å; L684-P687 WeakPolarHBondContact O-CD 3.32Å; L684-P687 WeakPolarHBondContact O-CG 3.21Å; P687-T689 VanDerWaalsContact C-N 3.34Å; P687-T689 PolarHBondContact O-N 3.32Å; P687-S690 PolarHBondContact O-N 3.19Å; P687-L691 WeakPolarHBondContact O-CG 3.23Å; P687-L691 PolarHBondContact O-N 3.26Å
688I88.6Confident83.3Confident7 Ų752.1 Ų52.14%0.03625%0.25CS..Hα-helixtrans-54.9-49.3177.2-67.4170.8000110.9L667 L685 K686 S690 L691 M692 L710 M713 L717L667-I688 HydrophobicContact CD1-CD1 4.1Å; L667-I688 HydrophobicContact CD1-CG1 3.82Å; L685-I688 HydrophobicContact CD2-CD1 4.45Å; L685-I688 PolarHBondContact O-N 3.2Å; K686-I688 VanDerWaalsContact C-N 3.34Å; K686-I688 PolarHBondContact O-N 3.16Å; I688-S690 PolarHBondContact O-N 2.99Å; I688-L691 PolarHBondContact O-N 3.19Å; I688-M692 HydrophobicContact CG2-CG 4.49Å; I688-M692 VanDerWaalsContact O-CG 3.3Å; I688-M692 WeakPolarHBondContact O-CG 3.06Å; I688-M692 PolarHBondContact O-N 3.11Å; I688-M692 VanDerWaalsContact O-N 3.13Å; I688-L710 HydrophobicContact CB-CD1 4.35Å; I688-L710 HydrophobicContact CD1-CD1 4.05Å; I688-L710 HydrophobicContact CG1-CD1 3.88Å; I688-L710 HydrophobicContact CG2-CD1 3.67Å; I688-M713 HydrophobicContact CD1-CE 4.47Å; I688-L717 HydrophobicContact CD1-CD1 4.38Å
689T87.6Confident81.4Confident78 Ų7853.7 Ų53.748%0.47925%0.25SS..Hα-helixtrans-60.2-32.7179.7-58.50000112.3L685 K686 P687L685-T689 WeakPolarHBondContact O-CB 3.47Å; L685-T689 PolarHBondContact O-N 3.23Å; L685-T689 PolarHBondContact O-OG1 3.39Å; K686-T689 PolarHBondContact O-N 3.06Å; P687-T689 VanDerWaalsContact C-N 3.34Å; P687-T689 PolarHBondContact O-N 3.32Å
690S89.1Confident79.5Confident0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-77.4-38178.3-620000112.8Q634 K686 P687 I688 M692 K693Q634-S690 WeakPolarHBondContact CG-OG 3.42Å; Q634-S690 PolarHBondContact O-OG 3.29Å; Q634-S690 VanDerWaalsContact O-OG 3.07Å; K686-S690 PolarHBondContact O-N 3.06Å; K686-S690 PolarHBondContact O-OG 3Å; P687-S690 PolarHBondContact O-N 3.19Å; I688-S690 PolarHBondContact O-N 2.99Å; S690-M692 VanDerWaalsContact C-N 3.28Å; S690-M692 PolarHBondContact O-N 3.04Å; S690-K693 WeakPolarHBondContact O-CB 3.46Å; S690-K693 PolarHBondContact O-N 3.11Å
691L87.9Confident77.2Confident2 Ų256.1 Ų56.11%0.0127%0.268CS..Hα-helixtrans-60.3-39.4174.5-68.2166.2000111.5I637 A644 F647 F664 P687 I688 K693 Y694I637-L691 HydrophobicContact CD1-CD2 4.26Å; I637-L691 HydrophobicContact CD1-CG 4.36Å; I637-L691 HydrophobicContact CG2-CD2 3.73Å; I637-L691 HydrophobicContact CG2-CG 4.08Å; A644-L691 HydrophobicContact CB-CD2 3.6Å; F647-L691 HydrophobicContact CB-CD2 4.48Å; F647-L691 HydrophobicContact CD1-CD1 3.52Å; F647-L691 HydrophobicContact CD1-CD2 4.28Å; F647-L691 HydrophobicContact CD1-CG 4.49Å; F647-L691 HydrophobicContact CE1-CD1 3.57Å; F647-L691 HydrophobicContact CG-CD1 4.34Å; F647-L691 HydrophobicContact CZ-CD1 4.41Å; F664-L691 HydrophobicContact CE1-CD1 3.85Å; F664-L691 HydrophobicContact CZ-CD1 3.77Å; P687-L691 WeakPolarHBondContact O-CG 3.23Å; P687-L691 PolarHBondContact O-N 3.26Å; I688-L691 PolarHBondContact O-N 3.19Å; L691-K693 PolarHBondContact O-N 2.81Å; L691-Y694 PolarHBondContact O-N 3.35Å; L691-Y694 VanDerWaalsContact O-N 3.15Å
692M81.8Confident75Confident41 Ų4163.5 Ų63.520%0.20230%0.302CS..THydrogen-bonded Turntrans-65.7-7.4-179.8-68.5-59.5-60.600115.3I688 S690 R698 L710I688-M692 HydrophobicContact CG2-CG 4.49Å; I688-M692 VanDerWaalsContact O-CG 3.3Å; I688-M692 WeakPolarHBondContact O-CG 3.06Å; I688-M692 PolarHBondContact O-N 3.11Å; I688-M692 VanDerWaalsContact O-N 3.13Å; S690-M692 VanDerWaalsContact C-N 3.28Å; S690-M692 PolarHBondContact O-N 3.04Å; M692-R698 PolarHBondContact O-NE 3.26Å; M692-R698 VanDerWaalsContact O-NE 3.17Å; M692-L710 HydrophobicContact SD-CD2 3.86Å
693K82.8Confident73.1Confident132 Ų13264.2 Ų64.257%0.57432%0.317SS*.THydrogen-bonded Turntrans-76.6-24.1174.2-66.3-177.8177.91790112.8S690 L691S690-K693 WeakPolarHBondContact O-CB 3.46Å; S690-K693 PolarHBondContact O-N 3.11Å; L691-K693 PolarHBondContact O-N 2.81Å
694Y83.4Confident71.2Confident37 Ų3766.6 Ų66.615%0.14533%0.331CS..SBendtrans-87.2130.8-177.5-63.4-72.5000111.1I637 S640 E641 A644 L691 S696 Y697 R698I637-Y694 HydrophobicContact CG2-CE2 4.14Å; I637-Y694 WeakPolarHBondContact O-CE2 3.46Å; I637-Y694 PolarHBondContact O-OH 3.4Å; S640-Y694 PolarHBondContact N-OH 3.33Å; S640-Y694 PolarHBondContact O-OH 3.4Å; E641-Y694 HydrophobicContact CB-CD1 3.8Å; E641-Y694 HydrophobicContact CB-CE1 3.6Å; E641-Y694 HydrophobicContact CG-CD1 3.89Å; E641-Y694 HydrophobicContact CG-CE1 4.21Å; E641-Y694 HydrophobicContact CG-CG 4.29Å; E641-Y694 PolarHBondContact N-OH 2.88Å; A644-Y694 HydrophobicContact CB-CD2 3.82Å; A644-Y694 HydrophobicContact CB-CE2 3.86Å; L691-Y694 PolarHBondContact O-N 3.35Å; L691-Y694 VanDerWaalsContact O-N 3.15Å; Y694-S696 VanDerWaalsContact C-N 3.32Å; Y694-S696 PolarHBondContact O-N 3.02Å; Y694-Y697 PolarHBondContact O-N 3.08Å; Y694-R698 PolarHBondContact O-N 3.05Å
695E65.2Low69.4Low139 Ų13974 Ų7465%0.6536%0.363SS*.Hα-helixtrans-64.5-35.3-177.9-69.4-170.5160.900112.7Y697 R698 Q699E695-Y697 PolarHBondContact O-N 3.02Å; E695-R698 CarbonylContact O-C 3.56Å; E695-R698 WeakPolarHBondContact O-CA 3.46Å; E695-R698 WeakPolarHBondContact O-CB 3.47Å; E695-R698 PolarHBondContact O-N 2.93Å; E695-Q699 PolarHBondContact O-N 2.94Å
696S63.4Low67.6Low42 Ų4275 Ų7529%0.29437%0.367SS..Hα-helixtrans-51.1-39.817445.90000112E641 Y694 C700E641-S696 WeakPolarHBondContact OE1-CB 3.13Å; E641-S696 PolarHBondContact OE1-OG 3.35Å; Y694-S696 VanDerWaalsContact C-N 3.32Å; Y694-S696 PolarHBondContact O-N 3.02Å; S696-C700 WeakPolarHBondContact O-CB 3.3Å; S696-C700 PolarHBondContact O-N 2.64Å
697Y59.9Low65.7Low40 Ų4074.7 Ų74.716%0.15737%0.368CS..Hα-helixtrans-83.1-25.7176-71.9-79.7000114.1A644 L645 T648 Y694 E695 Q699A644-Y697 HydrophobicContact CB-CE2 3.8Å; A644-Y697 PolarHBondContact O-OH 3.4Å; A644-Y697 VanDerWaalsContact O-OH 3.06Å; L645-Y697 WeakPolarHBondContact CA-OH 3.19Å; L645-Y697 PolarHBondContact N-OH 3.17Å; T648-Y697 HydrophobicContact CG2-CE1 3.58Å; T648-Y697 WeakPolarHBondContact CG2-OH 3.3Å; T648-Y697 PolarHBondContact OG1-OH 3.3Å; Y694-Y697 PolarHBondContact O-N 3.08Å; E695-Y697 PolarHBondContact O-N 3.02Å; Y697-Q699 VanDerWaalsContact C-N 3.35Å
698R54.7Low63.9Low147 Ų14784.2 Ų84.256%0.55540%0.404SS*.Hα-helixtrans-68.9-35.1169.6-71.2-175.8179.2-172.9-1.3111.8M692 Y694 E695 K701M692-R698 PolarHBondContact O-NE 3.26Å; M692-R698 VanDerWaalsContact O-NE 3.17Å; Y694-R698 PolarHBondContact O-N 3.05Å; E695-R698 CarbonylContact O-C 3.56Å; E695-R698 WeakPolarHBondContact O-CA 3.46Å; E695-R698 WeakPolarHBondContact O-CB 3.47Å; E695-R698 PolarHBondContact O-N 2.93Å; R698-K701 VanDerWaalsContact O-CB 3.23Å; R698-K701 WeakPolarHBondContact O-CB 3.26Å; R698-K701 WeakPolarHBondContact O-CD 3.47Å; R698-K701 VanDerWaalsContact O-CG 3.23Å; R698-K701 WeakPolarHBondContact O-CG 2.97Å
699Q48.3Very low62.3Low141 Ų14187 Ų8766%0.65942%0.416SS*.Hα-helixtrans-82.1-35.1-179.8-69.6179-2.200112.4E695 Y697 K701 E702E695-Q699 PolarHBondContact O-N 2.94Å; Y697-Q699 VanDerWaalsContact C-N 3.35Å; Q699-K701 PolarHBondContact O-N 3.2Å; Q699-E702 PolarHBondContact O-N 3.07Å
700C47.5Very low60.7Low61 Ų6184.4 Ų84.441%0.41240%0.399SS..G310 helixtrans-60.3-9.8169.5-94.20000114.4S696 E702 S703S696-C700 WeakPolarHBondContact O-CB 3.3Å; S696-C700 PolarHBondContact O-N 2.64Å; C700-E702 PolarHBondContact O-N 3.48Å; C700-E702 VanDerWaalsContact O-N 3.11Å; C700-S703 PolarHBondContact O-N 3.44Å
701K43.4Very low59.1Low111 Ų11190.3 Ų90.348%0.48343%0.427SS..G310 helixtrans-50.4-32.4172.6-82.9-171.7167.8-163.10113.5R698 Q699 S707R698-K701 VanDerWaalsContact O-CB 3.23Å; R698-K701 WeakPolarHBondContact O-CB 3.26Å; R698-K701 WeakPolarHBondContact O-CD 3.47Å; R698-K701 VanDerWaalsContact O-CG 3.23Å; R698-K701 WeakPolarHBondContact O-CG 2.97Å; Q699-K701 PolarHBondContact O-N 3.2Å; K701-S707 PolarHBondContact O-OG 3.35Å
702E44.3Very low57.6Low186 Ų18693 Ų9387%0.86945%0.445SS*.G310 helixtrans-84.8-8.4-168.7-67.7-172.7166.700114.8Q699 C700Q699-E702 PolarHBondContact O-N 3.07Å; C700-E702 PolarHBondContact O-N 3.48Å; C700-E702 VanDerWaalsContact O-N 3.11Å
703S48.3Very low56.3Low106 Ų10691.2 Ų91.274%0.74144%0.436SS*.THydrogen-bonded Turntrans-150.27.3-172.169.50000120.6C700C700-S703 PolarHBondContact O-N 3.44Å
704T51.7Low55.1Low50 Ų5091 Ų9131%0.30744%0.435SS..  trans-123153.5-178.876.80000116.3E706 S707T704-E706 WeakPolarHBondContact CB-OE2 3.42Å; T704-E706 PolarHBondContact O-N 2.88Å; T704-E706 PolarHBondContact OG1-OE2 3.21Å; T704-S707 PolarHBondContact O-N 3.33Å; T704-S707 VanDerWaalsContact O-N 3.09Å; T704-S707 PolarHBondContact O-OG 3.4Å
705K55.4Low54Low158 Ų15894.8 Ų94.869%0.68746%0.462SS*.Hα-helixtrans-57.2-30.7177.2-174.4-178.2178-1740111.8K709K705-K709 PolarHBondContact O-N 3.48Å
706E53.4Low53.4Low69 Ų6992.4 Ų92.432%0.32245%0.452SS..Hα-helixtrans-70.5-34.4176-56.687.7-168.600113F664 T704 R708 K709 L710F664-E706 HydrophobicContact CD2-CB 4.26Å; F664-E706 HydrophobicContact CD2-CG 4.46Å; F664-E706 HydrophobicContact CE2-CB 4.47Å; T704-E706 WeakPolarHBondContact CB-OE2 3.42Å; T704-E706 PolarHBondContact O-N 2.88Å; T704-E706 PolarHBondContact OG1-OE2 3.21Å; E706-R708 VanDerWaalsContact C-N 3.32Å; E706-R708 PolarHBondContact O-N 2.95Å; E706-K709 PolarHBondContact O-N 2.59Å; E706-L710 WeakPolarHBondContact O-CB 3.49Å; E706-L710 PolarHBondContact O-N 3.29Å
707S50.4Low52.7Low22 Ų2293.2 Ų93.215%0.15445%0.452CS..Hα-helixtrans-63.1-40.91791000000111.2K701 T704 L710 E711K701-S707 PolarHBondContact O-OG 3.35Å; T704-S707 PolarHBondContact O-N 3.33Å; T704-S707 VanDerWaalsContact O-N 3.09Å; T704-S707 PolarHBondContact O-OG 3.4Å; S707-L710 PolarHBondContact O-N 2.9Å; S707-E711 WeakPolarHBondContact O-CB 3.38Å; S707-E711 PolarHBondContact O-N 2.91Å
708R55.4Low52.4Low200 Ų20095.9 Ų95.976%0.75547%0.467SS*.Hα-helixtrans-63.9-41.7173.7-70.7-174.4-177.9172.61.5112.6E706 L710 E711 C712E706-R708 VanDerWaalsContact C-N 3.32Å; E706-R708 PolarHBondContact O-N 2.95Å; R708-L710 VanDerWaalsContact C-N 3.33Å; R708-E711 PolarHBondContact O-N 3.42Å; R708-C712 WeakPolarHBondContact O-CB 3.46Å; R708-C712 PolarHBondContact O-N 2.95Å
709K55.4Low52.3Low64 Ų6493.2 Ų93.228%0.27846%0.462SS..Hα-helixtrans-62.1-42174.9-75179175.7177.80111.3D665 K705 E706 M713D665-K709 IonicContact OD1-NZ 2.81Å; D665-K709 PolarHBondContact OD1-NZ 2.86Å; K705-K709 PolarHBondContact O-N 3.48Å; E706-K709 PolarHBondContact O-N 2.59Å; K709-M713 WeakPolarHBondContact O-CB 3.26Å; K709-M713 WeakPolarHBondContact O-CG 3.3Å; K709-M713 PolarHBondContact O-N 3.45Å
710L52.8Low52.5Low25 Ų2590.5 Ų90.513%0.13145%0.451CS..Hα-helixtrans-67.8-41.3179.2-172.461.1000112.4F664 I688 M692 E706 S707 R708 M713 K714F664-L710 HydrophobicContact CD1-CD1 3.95Å; F664-L710 HydrophobicContact CE1-CB 4.46Å; F664-L710 HydrophobicContact CE1-CD1 3.47Å; F664-L710 VanDerWaalsContact CE1-CD1 3.47Å; F664-L710 HydrophobicContact CE1-CD2 4.1Å; F664-L710 HydrophobicContact CE1-CG 4.22Å; F664-L710 HydrophobicContact CZ-CD1 4.39Å; F664-L710 HydrophobicContact CZ-CD2 4.23Å; I688-L710 HydrophobicContact CB-CD1 4.35Å; I688-L710 HydrophobicContact CD1-CD1 4.05Å; I688-L710 HydrophobicContact CG1-CD1 3.88Å; I688-L710 HydrophobicContact CG2-CD1 3.67Å; M692-L710 HydrophobicContact SD-CD2 3.86Å; E706-L710 WeakPolarHBondContact O-CB 3.49Å; E706-L710 PolarHBondContact O-N 3.29Å; S707-L710 PolarHBondContact O-N 2.9Å; R708-L710 VanDerWaalsContact C-N 3.33Å; L710-M713 HydrophobicContact CD1-CE 4.17Å; L710-K714 VanDerWaalsContact O-CB 3.23Å; L710-K714 WeakPolarHBondContact O-CB 3.46Å; L710-K714 PolarHBondContact O-N 3.45Å
711E56.5Low52.8Low123 Ų12392.2 Ų92.258%0.57545%0.453SS*.Hα-helixtrans-71.7-38.4176.4-167.4163.2-142.900111.7S707 R708 K714 T715S707-E711 WeakPolarHBondContact O-CB 3.38Å; S707-E711 PolarHBondContact O-N 2.91Å; R708-E711 PolarHBondContact O-N 3.42Å; E711-K714 PolarHBondContact O-N 2.84Å; E711-T715 VanDerWaalsContact O-CB 3.29Å; E711-T715 WeakPolarHBondContact O-CB 3.34Å; E711-T715 PolarHBondContact O-N 3.2Å; E711-T715 PolarHBondContact O-OG1 3.2Å
712C55.2Low53.4Low60 Ų6091.1 Ų91.141%0.40545%0.452SS..Hα-helixtrans-58.9-52.7171.2-153.60000109.9R708 K714 T715 E716R708-C712 WeakPolarHBondContact O-CB 3.46Å; R708-C712 PolarHBondContact O-N 2.95Å; C712-K714 VanDerWaalsContact C-N 3.34Å; C712-K714 PolarHBondContact O-N 2.86Å; C712-T715 PolarHBondContact O-N 3.46Å; C712-T715 VanDerWaalsContact O-N 3.14Å; C712-E716 VanDerWaalsContact O-CB 3.24Å; C712-E716 WeakPolarHBondContact O-CB 3.5Å; C712-E716 VanDerWaalsContact O-CG 3.24Å; C712-E716 WeakPolarHBondContact O-CG 3.17Å; C712-E716 PolarHBondContact O-N 3.24Å; C712-E716 PolarHBondContact SG-OE1 3.36Å
713M54.7Low54Low2 Ų284.7 Ų84.71%0.0142%0.424CS..Hα-helixtrans-58.1-42.8174.5-79.4-170.6-59.700112.2F664 L667 Y668 I688 K709 L710 T715 E716 L717F664-M713 HydrophobicContact CB-CE 4.46Å; F664-M713 HydrophobicContact CD1-CE 4.05Å; L667-M713 HydrophobicContact CB-SD 4.42Å; Y668-M713 HydrophobicContact CD2-CG 3.76Å; Y668-M713 HydrophobicContact CD2-SD 4.03Å; Y668-M713 HydrophobicContact CE2-CG 4.48Å; Y668-M713 HydrophobicContact CG-SD 4.47Å; I688-M713 HydrophobicContact CD1-CE 4.47Å; K709-M713 WeakPolarHBondContact O-CB 3.26Å; K709-M713 WeakPolarHBondContact O-CG 3.3Å; K709-M713 PolarHBondContact O-N 3.45Å; L710-M713 HydrophobicContact CD1-CE 4.17Å; M713-T715 VanDerWaalsContact C-N 3.3Å; M713-T715 PolarHBondContact O-N 3.19Å; M713-E716 PolarHBondContact O-N 3.24Å; M713-L717 HydrophobicContact CB-CD1 4.09Å; M713-L717 WeakPolarHBondContact O-CA 2.96Å; M713-L717 WeakPolarHBondContact O-CB 3.26Å; M713-L717 WeakPolarHBondContact O-CD1 3.41Å; M713-L717 WeakPolarHBondContact O-CG 3.28Å; M713-L717 PolarHBondContact O-N 3.3Å
714K57.6Low54.4Low128 Ų12883.2 Ų83.256%0.55740%0.401SS*.Hα-helixtrans-71.5-23.8179.7-169.6-175.8173.5-166.40113.3L710 E711 C712L710-K714 VanDerWaalsContact O-CB 3.23Å; L710-K714 WeakPolarHBondContact O-CB 3.46Å; L710-K714 PolarHBondContact O-N 3.45Å; E711-K714 PolarHBondContact O-N 2.84Å; C712-K714 VanDerWaalsContact C-N 3.34Å; C712-K714 PolarHBondContact O-N 2.86Å
715T60.6Low54.6Low116 Ų11685.8 Ų85.871%0.71241%0.408SS*.Hα-helixtrans-86.1-30.6176.1-49.80000110.6E711 C712 M713E711-T715 VanDerWaalsContact O-CB 3.29Å; E711-T715 WeakPolarHBondContact O-CB 3.34Å; E711-T715 PolarHBondContact O-N 3.2Å; E711-T715 PolarHBondContact O-OG1 3.2Å; C712-T715 PolarHBondContact O-N 3.46Å; C712-T715 VanDerWaalsContact O-N 3.14Å; M713-T715 VanDerWaalsContact C-N 3.3Å; M713-T715 PolarHBondContact O-N 3.19Å
716E52.2Low54.5Low90 Ų9079.8 Ų79.842%0.42139%0.385SS..Hα-helixtrans-81.2-34.2175.8-73.4175.4174.600113.7Y671 C712 M713Y671-E716 HydrophobicContact CE1-CB 4.37Å; C712-E716 VanDerWaalsContact O-CB 3.24Å; C712-E716 WeakPolarHBondContact O-CB 3.5Å; C712-E716 VanDerWaalsContact O-CG 3.24Å; C712-E716 WeakPolarHBondContact O-CG 3.17Å; C712-E716 PolarHBondContact O-N 3.24Å; C712-E716 PolarHBondContact SG-OE1 3.36Å; M713-E716 PolarHBondContact O-N 3.24Å
717L50Low54.6Low58 Ų5880.7 Ų80.730%0.30439%0.391SS..  trans-87.20172.7-61.4164.4000110.5Y671 I681 L685 I688 M713Y671-L717 HydrophobicContact CD2-CD2 3.39Å; Y671-L717 HydrophobicContact CD2-CG 4.36Å; Y671-L717 HydrophobicContact CE2-CD2 3.44Å; Y671-L717 VanDerWaalsContact CE2-CD2 3.44Å; Y671-L717 HydrophobicContact CE2-CG 4.26Å; Y671-L717 HydrophobicContact CG-CD2 4.27Å; I681-L717 HydrophobicContact CB-CD2 3.97Å; I681-L717 HydrophobicContact CG1-CD2 3.76Å; I681-L717 HydrophobicContact CG2-CB 4.25Å; I681-L717 HydrophobicContact CG2-CD2 3.54Å; I681-L717 HydrophobicContact CG2-CG 4.49Å; L685-L717 HydrophobicContact CD2-CB 4.06Å; L685-L717 HydrophobicContact CD2-CD1 3.72Å; L685-L717 HydrophobicContact CG-CB 4.49Å; L685-L717 HydrophobicContact CG-CD1 4.25Å; I688-L717 HydrophobicContact CD1-CD1 4.38Å; M713-L717 HydrophobicContact CB-CD1 4.09Å; M713-L717 WeakPolarHBondContact O-CA 2.96Å; M713-L717 WeakPolarHBondContact O-CB 3.26Å; M713-L717 WeakPolarHBondContact O-CD1 3.41Å; M713-L717 WeakPolarHBondContact O-CG 3.28Å; M713-L717 PolarHBondContact O-N 3.3Å

Retrieved 717 of 717 residues in 649.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).