A0A087XE49_POEFO Loading...

CDK-activating kinase assembly factor MAT1

AlphaFold DB , UniProt , Accession A0A087XE49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 308 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.1Low78.2Confident226 Ų22694.5 Ų94.5100%1.11348%0.481SS*.  0105.80-75.4-176.1171.900105.4D3M1-D3 PolarHBondContact O-N 2.84Å
2D54.9Low79Confident162 Ų16288.3 Ų88.387%0.86645%0.451SS*.  trans-75.6116.6-178.8-63.9-35.5000108.4Q4D2-Q4 PolarHBondContact O-N 3.22Å
3D65.7Low79.5Confident108 Ų10888.7 Ų88.758%0.57845%0.447SS*.  trans-61.5101.3-173.9-88.3-23.1000111M1 G5 T12M1-D3 PolarHBondContact O-N 2.84Å; D3-G5 PolarHBondContact O-N 3.26Å; D3-T12 HydrophobicContact CB-CG2 3.84Å
4Q74.4Confident79.9Confident74 Ų7496.4 Ų96.435%0.34647%0.47SS..  trans-62.9121.8170-72.1-179.10.100110.3D2 L21 E64D2-Q4 PolarHBondContact O-N 3.22Å; Q4-L21 HydrophobicContact CB-CD1 4.29Å; Q4-E64 PolarHBondContact NE2-O 3.26Å; Q4-E64 PolarHBondContact OE1-O 2.94Å
5G83.8Confident80.4Confident23 Ų23102.9 Ų102.924%0.23749%0.488CS..BIsolated β-bridgetrans-141.6162-178.100000111.5D3 T11D3-G5 PolarHBondContact O-N 3.26Å; G5-T11 VanDerWaalsContact CA-O 3.25Å; G5-T11 WeakPolarHBondContact CA-O 3.49Å
6C88.9Confident80.7Confident2 Ų2100.5 Ų100.51%0.01448%0.479CS..  trans-67.5126.8176.9173.90000110R8 C9 K10 T11 L21 C31C6-R8 PolarHBondContact O-N 3.48Å; C6-C9 WeakPolarHBondContact CB-SG 3.45Å; C6-C9 VanDerWaalsContact SG-SG 3.66Å; C6-K10 WeakPolarHBondContact O-CA 3.27Å; C6-K10 PolarHBondContact O-N 3.1Å; C6-T11 PolarHBondContact N-O 3.08Å; C6-L21 HydrophobicContact CB-CD2 4.39Å; C6-C31 HydrophobicContact CB-CB 3.86Å; C6-C31 PolarHBondContact SG-N 3.49Å; C6-C31 VanDerWaalsContact SG-N 3.45Å; C6-C31 VanDerWaalsContact SG-SG 3.65Å
7P87.7Confident81Confident52 Ų52101.4 Ų101.434%0.33850%0.495SS..THydrogen-bonded Turntrans-63.5-25.8-177.726-35.9000112.9T29 L30 V47P7-T29 WeakPolarHBondContact CD-O 3.34Å; P7-T29 VanDerWaalsContact CG-O 3.31Å; P7-T29 WeakPolarHBondContact CG-O 3.49Å; P7-L30 HydrophobicContact CG-CD2 3.84Å; P7-V47 HydrophobicContact CG-CG2 4.49Å
8R87.1Confident81.4Confident148 Ų148101.4 Ų101.456%0.55851%0.507SS*.THydrogen-bonded Turntrans-78.7-64.7177.3-165.6-39.4-172.6-1722.3110.9C6 K10 L30C6-R8 PolarHBondContact O-N 3.48Å; R8-K10 VanDerWaalsContact C-N 3.32Å; R8-L30 HydrophobicContact CB-CD2 4.49Å
9C89.4Confident81.7Confident45 Ų4596.9 Ų96.930%0.30449%0.485SS..THydrogen-bonded Turntrans-86.1-7.3-170.367.50000113.1C6 T11 C31C6-C9 WeakPolarHBondContact CB-SG 3.45Å; C6-C9 VanDerWaalsContact SG-SG 3.66Å; C9-T11 PolarHBondContact O-N 3.4Å; C9-T11 PolarHBondContact SG-OG1 3.32Å; C9-C31 PolarHBondContact SG-SG 3.21Å
10K88.1Confident82.2Confident162 Ų16297.7 Ų97.770%0.70449%0.485SS*.  trans54.218.8-177.4-55.8-177.4179.6-176.80113.2C6 R8C6-K10 WeakPolarHBondContact O-CA 3.27Å; C6-K10 PolarHBondContact O-N 3.1Å; R8-K10 VanDerWaalsContact C-N 3.32Å
11T87.8Confident82.6Confident38 Ų3893.2 Ų93.223%0.23346%0.463CS..  trans-78.4129.1173.3-46.70000107.9G5 C6 C9 R15 N16 L19G5-T11 VanDerWaalsContact CA-O 3.25Å; G5-T11 WeakPolarHBondContact CA-O 3.49Å; C6-T11 PolarHBondContact N-O 3.08Å; C9-T11 PolarHBondContact O-N 3.4Å; C9-T11 PolarHBondContact SG-OG1 3.32Å; T11-R15 HydrophobicContact CG2-CB 4.39Å; T11-N16 HydrophobicContact CG2-CB 4.13Å; T11-L19 HydrophobicContact CG2-CD1 4.41Å; T11-L19 HydrophobicContact CG2-CD2 4.01Å; T11-L19 WeakPolarHBondContact O-CD2 3.47Å
12T87.9Confident84.5Confident19 Ų1984 Ų8412%0.11742%0.417CS..BIsolated β-bridgetrans-104161.9176.761.10000109.6D3 Y14 R15 N16D3-T12 HydrophobicContact CB-CG2 3.84Å; T12-Y14 PolarHBondContact O-N 3.31Å; T12-R15 PolarHBondContact O-N 3.01Å; T12-N16 PolarHBondContact O-N 3.28Å
13K85.2Confident86.3Confident94 Ų9476.3 Ų76.341%0.40938%0.376SS..THydrogen-bonded Turntrans-58-29.7172.7-70.7179.9178.6172.50112.3N16 P17K13-N16 CarbonylContact O-C 3.55Å; K13-N16 PolarHBondContact O-N 3.43Å; K13-N16 VanDerWaalsContact O-O 3.14Å; K13-P17 WeakPolarHBondContact O-CA 3.47Å
14Y85.6Confident87.5Confident196 Ų19671.2 Ų71.277%0.76935%0.349SS*.THydrogen-bonded Turntrans-62.4-42.3175.9-175.5-97.3000113T12T12-Y14 PolarHBondContact O-N 3.31Å
15R86.9Confident88.1Confident195 Ų19570.6 Ų70.674%0.73635%0.35SS*.THydrogen-bonded Turntrans-75.6-31.4179.7-68.9-176.5-179.1-171.4-0.3112.9T11 T12T11-R15 HydrophobicContact CG2-CB 4.39Å; T12-R15 PolarHBondContact O-N 3.01Å
16N84.9Confident88.3Confident64 Ų6470.5 Ų70.534%0.34235%0.345SS..  trans-139.599178.4-177.4-13.7000109T11 T12 K13 S18 L19T11-N16 HydrophobicContact CG2-CB 4.13Å; T12-N16 PolarHBondContact O-N 3.28Å; K13-N16 CarbonylContact O-C 3.55Å; K13-N16 PolarHBondContact O-N 3.43Å; K13-N16 VanDerWaalsContact O-O 3.14Å; N16-S18 PolarHBondContact O-N 2.97Å; N16-S18 PolarHBondContact OD1-N 3.44Å; N16-L19 HydrophobicContact CB-CB 4.16Å; N16-L19 WeakPolarHBondContact O-CB 3.44Å; N16-L19 PolarHBondContact O-N 3.41Å; N16-L19 PolarHBondContact OD1-N 3.29Å
17P86.2Confident88.2Confident116 Ų11671 Ų7175%0.75335%0.351SS*.THydrogen-bonded Turntrans-60.8-24-180-26.235.4000113.9K13 L19K13-P17 WeakPolarHBondContact O-CA 3.47Å; P17-L19 VanDerWaalsContact C-N 3.29Å
18S88.3Confident88.3Confident101 Ų10170.7 Ų70.771%0.70635%0.345SS*.THydrogen-bonded Turntrans-86.52.4178.2-48.90000113.3N16 K20N16-S18 PolarHBondContact O-N 2.97Å; N16-S18 PolarHBondContact OD1-N 3.44Å; S18-K20 PolarHBondContact O-N 3.01Å
19L88.2Confident88.5Confident17 Ų1764.9 Ų64.99%0.08933%0.326CS..  trans-67.8113.5-179.7-172.274.2000110.9T11 N16 P17 L21 C31T11-L19 HydrophobicContact CG2-CD1 4.41Å; T11-L19 HydrophobicContact CG2-CD2 4.01Å; T11-L19 WeakPolarHBondContact O-CD2 3.47Å; N16-L19 HydrophobicContact CB-CB 4.16Å; N16-L19 WeakPolarHBondContact O-CB 3.44Å; N16-L19 PolarHBondContact O-N 3.41Å; N16-L19 PolarHBondContact OD1-N 3.29Å; P17-L19 VanDerWaalsContact C-N 3.29Å; L19-L21 HydrophobicContact CD2-CD2 4.23Å; L19-C31 HydrophobicContact CD1-CB 3.55Å; L19-C31 HydrophobicContact CD2-CB 4.41Å; L19-C31 HydrophobicContact CG-CB 4.09Å
20K90.6Very high88.7Confident112 Ų11262.8 Ų62.849%0.48731%0.312SS..  trans-86.8117.3170.1-60.7-177.9-165.5160.80109.7S18 C31 E32S18-K20 PolarHBondContact O-N 3.01Å; K20-C31 WeakPolarHBondContact O-CA 3.49Å; K20-E32 HydrophobicContact CB-CB 4.44Å; K20-E32 PolarHBondContact O-N 3.5Å
21L91.6Very high88.9Confident4 Ų455.2 Ų55.22%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-83.8141.9167.1-65.9174.1000109Q4 C6 L19 C31 Q61Q4-L21 HydrophobicContact CB-CD1 4.29Å; C6-L21 HydrophobicContact CB-CD2 4.39Å; L19-L21 HydrophobicContact CD2-CD2 4.23Å; L21-C31 HydrophobicContact CD2-CB 4.27Å; L21-Q61 HydrophobicContact CB-CB 4.12Å; L21-Q61 VanDerWaalsContact O-CB 3.29Å; L21-Q61 WeakPolarHBondContact O-CB 3.35Å; L21-Q61 PolarHBondContact O-N 3.42Å
22M91.7Very high89.1Confident32 Ų3256.8 Ų56.816%0.15828%0.283CS..EExtended strand (participates in β ladder)trans-120.3141177-56.8-171.987.200109.5T29 L30 E32 V35 F58 R59M22-T29 CarbonylContact O-C 3.55Å; M22-T29 VanDerWaalsContact O-CA 3.28Å; M22-T29 WeakPolarHBondContact O-CA 3.49Å; M22-L30 WeakPolarHBondContact CA-O 3.34Å; M22-L30 PolarHBondContact N-O 3.12Å; M22-L30 PolarHBondContact O-N 3.41Å; M22-E32 HydrophobicContact SD-CB 4.49Å; M22-V35 HydrophobicContact CB-CG2 4.31Å; M22-V35 HydrophobicContact SD-CB 4.25Å; M22-V35 HydrophobicContact SD-CG1 4.37Å; M22-V35 HydrophobicContact SD-CG2 4.03Å; M22-F58 HydrophobicContact CB-CB 4.31Å; M22-F58 HydrophobicContact CB-CD1 4.34Å; M22-F58 HydrophobicContact CE-CB 3.9Å; M22-F58 HydrophobicContact SD-CB 4.21Å; M22-R59 CarbonylContact C-O 3.39Å; M22-R59 WeakPolarHBondContact CA-O 3.45Å; M22-R59 VanDerWaalsContact CB-O 3.31Å; M22-R59 WeakPolarHBondContact CB-O 3.35Å
23V92.9Very high89.3Confident0 Ų061 Ų610%031%0.306CS..EExtended strand (participates in β ladder)trans-107.6138.3176.5175.90000109T29 R59 Q61 A66 D69V23-T29 HydrophobicContact CG2-CG2 3.82Å; V23-R59 PolarHBondContact N-O 3.07Å; V23-R59 WeakPolarHBondContact O-CG 3.35Å; V23-R59 PolarHBondContact O-N 3.29Å; V23-R59 VanDerWaalsContact O-N 3.1Å; V23-Q61 HydrophobicContact CG2-CB 3.76Å; V23-Q61 HydrophobicContact CG2-CG 3.61Å; V23-A66 HydrophobicContact CG2-CB 4.07Å; V23-D69 HydrophobicContact CB-CB 4.44Å; V23-D69 HydrophobicContact CG1-CB 4.19Å; V23-D69 HydrophobicContact CG2-CB 4.21Å
24N90.9Very high89.6Confident1 Ų156.8 Ų56.81%0.00529%0.288CS..  trans-94.5179172.965.718000112.4C26 G27 H28 C46 L53 F58N24-C26 PolarHBondContact O-N 3.48Å; N24-C26 WeakPolarHBondContact OD1-CA 3.48Å; N24-C26 VanDerWaalsContact OD1-CB 3.27Å; N24-C26 WeakPolarHBondContact OD1-CB 3.49Å; N24-C26 PolarHBondContact OD1-N 3.08Å; N24-G27 PolarHBondContact O-N 3.35Å; N24-G27 PolarHBondContact OD1-N 3.5Å; N24-H28 PolarHBondContact N-O 3.5Å; N24-H28 VanDerWaalsContact N-O 3.15Å; N24-H28 PolarHBondContact OD1-N 2.97Å; N24-H28 PolarHBondContact OD1-O 3.37Å; N24-C46 PolarHBondContact ND2-SG 3.19Å; N24-L53 HydrophobicContact CB-CD1 3.78Å; N24-L53 VanDerWaalsContact ND2-CD1 3.32Å; N24-L53 WeakPolarHBondContact ND2-CD1 3.31Å; N24-F58 HydrophobicContact CB-CD1 3.95Å; N24-F58 HydrophobicContact CB-CE1 3.68Å; N24-F58 HydrophobicContact CB-CZ 4.16Å
25V86.5Confident89.9Confident62 Ų6247.6 Ų47.638%0.37625%0.252SS..THydrogen-bonded Turntrans-64.3-19.6176.2-61.80000114G27 L53 N57V25-G27 VanDerWaalsContact C-N 3.35Å; V25-L53 HydrophobicContact CG2-CD2 3.34Å; V25-N57 HydrophobicContact CG1-CB 4.19Å
26C86.9Confident90.2Very high20 Ų2043 Ų4314%0.13524%0.239CC..THydrogen-bonded Turntrans-79.7-20.7178.9-44.10000112N24 C49 T51 K70N24-C26 PolarHBondContact O-N 3.48Å; N24-C26 WeakPolarHBondContact OD1-CA 3.48Å; N24-C26 VanDerWaalsContact OD1-CB 3.27Å; N24-C26 WeakPolarHBondContact OD1-CB 3.49Å; N24-C26 PolarHBondContact OD1-N 3.08Å; C26-C49 VanDerWaalsContact SG-SG 3.66Å; C26-T51 VanDerWaalsContact SG-CB 3.59Å; C26-K70 PolarHBondContact O-NZ 3.33Å
27G87.7Confident90.5Very high12 Ų1245.2 Ų45.212%0.12425%0.249CC..SBendtrans93.714-172.200000114.2N24 V25 A66N24-G27 PolarHBondContact O-N 3.35Å; N24-G27 PolarHBondContact OD1-N 3.5Å; V25-G27 VanDerWaalsContact C-N 3.35Å; G27-A66 WeakPolarHBondContact O-CB 3.44Å
28H90.6Very high90.6Very high47 Ų4743.1 Ų43.122%0.21823%0.231CC..  trans-99.3141179.3-55.4134.6000111.6N24 C46 Q48 C49N24-H28 PolarHBondContact N-O 3.5Å; N24-H28 VanDerWaalsContact N-O 3.15Å; N24-H28 PolarHBondContact OD1-N 2.97Å; N24-H28 PolarHBondContact OD1-O 3.37Å; H28-C46 PolarHBondContact ND1-SG 2.97Å; H28-Q48 PolarHBondContact CD2-OE1 3.08Å; H28-Q48 PolarHBondContact NE2-OE1 3.31Å; H28-C49 PolarHBondContact CE1-SG 3.31Å; H28-C49 PolarHBondContact ND1-SG 3Å; H28-C49 VanDerWaalsContact ND1-SG 3.39Å
29T91.3Very high90.7Very high25 Ų2538.5 Ų38.515%0.15320%0.198CC..EExtended strand (participates in β ladder)trans-96141.3-175.953.80000112.3P7 M22 V23 A66P7-T29 WeakPolarHBondContact CD-O 3.34Å; P7-T29 VanDerWaalsContact CG-O 3.31Å; P7-T29 WeakPolarHBondContact CG-O 3.49Å; M22-T29 CarbonylContact O-C 3.55Å; M22-T29 VanDerWaalsContact O-CA 3.28Å; M22-T29 WeakPolarHBondContact O-CA 3.49Å; V23-T29 HydrophobicContact CG2-CG2 3.82Å; T29-A66 HydrophobicContact CG2-CB 3.55Å
30L92.2Very high90.8Very high2 Ų243.2 Ų43.21%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-142.8147.4170.4-75.1175.3000109P7 R8 M22 C34 V35 L38 F39 V47 F58P7-L30 HydrophobicContact CG-CD2 3.84Å; R8-L30 HydrophobicContact CB-CD2 4.49Å; M22-L30 WeakPolarHBondContact CA-O 3.34Å; M22-L30 PolarHBondContact N-O 3.12Å; M22-L30 PolarHBondContact O-N 3.41Å; L30-C34 HydrophobicContact CD2-CB 4.46Å; L30-V35 HydrophobicContact CB-CG2 3.71Å; L30-V35 HydrophobicContact CD1-CG2 4.36Å; L30-L38 HydrophobicContact CD1-CD1 4.18Å; L30-F39 HydrophobicContact CD1-CE2 4.44Å; L30-V47 HydrophobicContact CD2-CG2 4.09Å; L30-F58 HydrophobicContact CB-CE1 4.48Å; L30-F58 HydrophobicContact CD1-CE1 3.86Å; L30-F58 HydrophobicContact CD1-CZ 4.08Å
31C92.7Very high90.7Very high2 Ų249 Ų491%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-74.4154.9171.467.60000111.7C6 C9 L19 K20 L21 N33 C34 V35C6-C31 HydrophobicContact CB-CB 3.86Å; C6-C31 PolarHBondContact SG-N 3.49Å; C6-C31 VanDerWaalsContact SG-N 3.45Å; C6-C31 VanDerWaalsContact SG-SG 3.65Å; C9-C31 PolarHBondContact SG-SG 3.21Å; L19-C31 HydrophobicContact CD1-CB 3.55Å; L19-C31 HydrophobicContact CD2-CB 4.41Å; L19-C31 HydrophobicContact CG-CB 4.09Å; K20-C31 WeakPolarHBondContact O-CA 3.49Å; L21-C31 HydrophobicContact CD2-CB 4.27Å; C31-N33 VanDerWaalsContact C-N 3.31Å; C31-N33 PolarHBondContact O-N 3.11Å; C31-C34 PolarHBondContact O-N 3.24Å; C31-C34 VanDerWaalsContact SG-CB 3.6Å; C31-C34 PolarHBondContact SG-N 2.99Å; C31-C34 PolarHBondContact SG-SG 3.43Å; C31-V35 PolarHBondContact O-N 3.43Å
32E92.4Very high90.4Very high71 Ų7150.5 Ų50.533%0.33226%0.262SS..Hα-helixtrans-45-52.8177.7-173.8169.8-158.600112.2K20 M22 C34 V35 E36K20-E32 HydrophobicContact CB-CB 4.44Å; K20-E32 PolarHBondContact O-N 3.5Å; M22-E32 HydrophobicContact SD-CB 4.49Å; E32-C34 VanDerWaalsContact C-N 3.32Å; E32-C34 PolarHBondContact O-N 3.07Å; E32-V35 WeakPolarHBondContact O-CB 3.36Å; E32-V35 PolarHBondContact O-N 3.42Å; E32-V35 VanDerWaalsContact O-N 3.08Å; E32-E36 WeakPolarHBondContact O-CG 3.26Å; E32-E36 PolarHBondContact O-N 2.87Å
33N92Very high90.3Very high109 Ų10952.5 Ų52.558%0.58328%0.279SS*.Hα-helixtrans-60.4-37.1179.4-61.7-0.8000113.5C31 E36 M37C31-N33 VanDerWaalsContact C-N 3.31Å; C31-N33 PolarHBondContact O-N 3.11Å; N33-E36 PolarHBondContact O-N 3.08Å; N33-M37 WeakPolarHBondContact O-CB 3.48Å; N33-M37 PolarHBondContact O-N 3.01Å
34C91.8Very high90.2Very high5 Ų553.4 Ų53.43%0.03429%0.288CS..Hα-helixtrans-72.6-34.7177.3-75.50000111.7L30 C31 E32 E36 L38L30-C34 HydrophobicContact CD2-CB 4.46Å; C31-C34 PolarHBondContact O-N 3.24Å; C31-C34 VanDerWaalsContact SG-CB 3.6Å; C31-C34 PolarHBondContact SG-N 2.99Å; C31-C34 PolarHBondContact SG-SG 3.43Å; E32-C34 VanDerWaalsContact C-N 3.32Å; E32-C34 PolarHBondContact O-N 3.07Å; C34-E36 VanDerWaalsContact C-N 3.34Å; C34-L38 VanDerWaalsContact O-CB 3.26Å; C34-L38 WeakPolarHBondContact O-CB 3.46Å; C34-L38 VanDerWaalsContact O-CG 3.26Å; C34-L38 WeakPolarHBondContact O-CG 3.43Å; C34-L38 PolarHBondContact O-N 2.95Å
35V92.6Very high90.2Very high3 Ų357.8 Ų57.82%0.01831%0.312CS..Hα-helixtrans-62.6-45.1172.51760000109.8M22 L30 C31 E32 M37 F39 K55 F58M22-V35 HydrophobicContact CB-CG2 4.31Å; M22-V35 HydrophobicContact SD-CB 4.25Å; M22-V35 HydrophobicContact SD-CG1 4.37Å; M22-V35 HydrophobicContact SD-CG2 4.03Å; L30-V35 HydrophobicContact CB-CG2 3.71Å; L30-V35 HydrophobicContact CD1-CG2 4.36Å; C31-V35 PolarHBondContact O-N 3.43Å; E32-V35 WeakPolarHBondContact O-CB 3.36Å; E32-V35 PolarHBondContact O-N 3.42Å; E32-V35 VanDerWaalsContact O-N 3.08Å; V35-M37 PolarHBondContact O-N 3.08Å; V35-F39 HydrophobicContact CG1-CD2 4.36Å; V35-F39 WeakPolarHBondContact O-CB 3.38Å; V35-F39 WeakPolarHBondContact O-CD2 3.18Å; V35-F39 PolarHBondContact O-N 3.49Å; V35-K55 HydrophobicContact CG1-CG 4.26Å; V35-F58 HydrophobicContact CG1-CB 4.13Å; V35-F58 HydrophobicContact CG1-CD1 4.28Å; V35-F58 HydrophobicContact CG1-CD2 3.72Å; V35-F58 HydrophobicContact CG1-CE2 4.17Å; V35-F58 HydrophobicContact CG1-CG 3.77Å; V35-F58 HydrophobicContact CG2-CD1 3.66Å; V35-F58 HydrophobicContact CG2-CE1 3.9Å; V35-F58 HydrophobicContact CG2-CG 4Å; V35-F58 HydrophobicContact CG2-CZ 4.44Å
36E91.8Very high90.5Very high99 Ų9955 Ų5546%0.46330%0.295SS..Hα-helixtrans-63.3-42.7178.7-65.1-161.814100113.2E32 N33 C34 V40 K55E32-E36 WeakPolarHBondContact O-CG 3.26Å; E32-E36 PolarHBondContact O-N 2.87Å; N33-E36 PolarHBondContact O-N 3.08Å; C34-E36 VanDerWaalsContact C-N 3.34Å; E36-V40 WeakPolarHBondContact O-CG2 3.44Å; E36-V40 PolarHBondContact O-N 3.02Å; E36-K55 IonicContact OE1-NZ 2.79Å
37M90.8Very high90.5Very high110 Ų11057.4 Ų57.454%0.54231%0.309SS..Hα-helixtrans-73.9-37.1-178.8-175.1-179.459.700113.4N33 V35 V40N33-M37 WeakPolarHBondContact O-CB 3.48Å; N33-M37 PolarHBondContact O-N 3.01Å; V35-M37 PolarHBondContact O-N 3.08Å; M37-V40 WeakPolarHBondContact O-CG2 3.24Å
38L88.9Confident90.4Very high72 Ų7261.5 Ų61.538%0.37733%0.325SS..Hα-helixtrans-79-32.3-179.7-69.8170.9000112.2L30 C34 V47L30-L38 HydrophobicContact CD1-CD1 4.18Å; C34-L38 VanDerWaalsContact O-CB 3.26Å; C34-L38 WeakPolarHBondContact O-CB 3.46Å; C34-L38 VanDerWaalsContact O-CG 3.26Å; C34-L38 WeakPolarHBondContact O-CG 3.43Å; C34-L38 PolarHBondContact O-N 2.95Å; L38-V47 HydrophobicContact CD1-CG1 3.81Å
39F91.5Very high90.3Very high3 Ų361.7 Ų61.71%0.01333%0.331CS..THydrogen-bonded Turntrans-108.234.3-176.2-62.8-98.2000112.5L30 V35 R41 G42 G44 L53 K55 F58L30-F39 HydrophobicContact CD1-CE2 4.44Å; V35-F39 HydrophobicContact CG1-CD2 4.36Å; V35-F39 WeakPolarHBondContact O-CB 3.38Å; V35-F39 WeakPolarHBondContact O-CD2 3.18Å; V35-F39 PolarHBondContact O-N 3.49Å; F39-R41 PolarHBondContact O-N 3.1Å; F39-G42 WeakPolarHBondContact O-CA 3.15Å; F39-G42 PolarHBondContact O-N 3.34Å; F39-G44 WeakPolarHBondContact CE1-O 3.35Å; F39-L53 HydrophobicContact CE1-CB 3.9Å; F39-L53 HydrophobicContact CZ-CB 4.26Å; F39-K55 HydrophobicContact CB-CB 4.12Å; F39-K55 HydrophobicContact CB-CG 4.36Å; F39-F58 HydrophobicContact CD1-CE2 4.18Å; F39-F58 AromaticContact CD2-CE2 3.81Å; F39-F58 HydrophobicContact CD2-CE2 3.81Å; F39-F58 HydrophobicContact CD2-CZ 4.11Å; F39-F58 AromaticContact CE1-CE2 3.84Å; F39-F58 HydrophobicContact CE1-CE2 3.84Å; F39-F58 HydrophobicContact CE1-CZ 4.32Å; F39-F58 AromaticContact CE2-CE2 3.46Å; F39-F58 HydrophobicContact CE2-CE2 3.46Å; F39-F58 VanDerWaalsContact CE2-CE2 3.46Å; F39-F58 AromaticContact CE2-CZ 3.38Å; F39-F58 HydrophobicContact CE2-CZ 3.38Å; F39-F58 HydrophobicContact CG-CE2 4.19Å; F39-F58 AromaticContact CZ-CE2 3.48Å; F39-F58 HydrophobicContact CZ-CE2 3.48Å; F39-F58 VanDerWaalsContact CZ-CE2 3.48Å; F39-F58 AromaticContact CZ-CZ 3.51Å; F39-F58 HydrophobicContact CZ-CZ 3.51Å
40V89.8Confident90.1Very high116 Ų11666 Ų6670%0.70335%0.353SS*.THydrogen-bonded Turntrans-55.6-39.1177.3174.70000111.7E36 M37 G42E36-V40 WeakPolarHBondContact O-CG2 3.44Å; E36-V40 PolarHBondContact O-N 3.02Å; M37-V40 WeakPolarHBondContact O-CG2 3.24Å; V40-G42 PolarHBondContact O-N 3.34Å
41R87.4Confident90Very high235 Ų23568.5 Ų68.589%0.88737%0.368SS*.THydrogen-bonded Turntrans-78.75.3175.4-66.9-171.4171.195.7-0.7113.6F39 S43F39-R41 PolarHBondContact O-N 3.1Å; R41-S43 PolarHBondContact O-N 3.3Å
42G85.8Confident89.9Confident34 Ų3473.3 Ų73.335%0.35140%0.4SS..SBendtrans79.6-15.8179.100000115.6F39 V40 R54 K55F39-G42 WeakPolarHBondContact O-CA 3.15Å; F39-G42 PolarHBondContact O-N 3.34Å; V40-G42 PolarHBondContact O-N 3.34Å; G42-R54 WeakPolarHBondContact O-CA 3.39Å; G42-K55 PolarHBondContact O-N 3.24Å
43S90.4Very high89.9Confident74 Ų7470.2 Ų70.252%0.51739%0.385SS..EExtended strand (participates in β ladder)trans-136.3150.3175.357.50000110.6R41 L53R41-S43 PolarHBondContact O-N 3.3Å; S43-L53 WeakPolarHBondContact CA-O 3.45Å
44G90.7Very high89.9Confident19 Ų1973 Ų7320%0.19639%0.388CS..EExtended strand (participates in β ladder)trans-176.7-179.9-17800000110.7F39 L53F39-G44 WeakPolarHBondContact CE1-O 3.35Å; G44-L53 PolarHBondContact N-O 2.96Å; G44-L53 CarbonylContact O-C 3.59Å; G44-L53 WeakPolarHBondContact O-CA 3.38Å; G44-L53 PolarHBondContact O-N 3.34Å
45N91.5Very high89.8Confident94 Ų9477.1 Ų77.150%0.50341%0.405SS..EExtended strand (participates in β ladder)trans-102.7151.5-178.2-66.420.2000110.6V47 D50 T51N45-V47 PolarHBondContact O-N 3.41Å; N45-D50 PolarHBondContact ND2-O 2.92Å; N45-T51 WeakPolarHBondContact CA-O 3.48Å
46C90.9Very high89.6Confident2 Ų281.7 Ų81.71%0.01444%0.437CS..  trans-64.5130.6171-175.40000110.5N24 H28 Q48 D50 T51 L53N24-C46 PolarHBondContact ND2-SG 3.19Å; H28-C46 PolarHBondContact ND1-SG 2.97Å; C46-Q48 PolarHBondContact O-N 2.65Å; C46-Q48 VanDerWaalsContact O-N 3.12Å; C46-D50 VanDerWaalsContact O-CA 3.26Å; C46-D50 WeakPolarHBondContact O-CA 3.4Å; C46-D50 PolarHBondContact O-N 2.8Å; C46-T51 PolarHBondContact N-O 3.29Å; C46-L53 HydrophobicContact CB-CD1 3.7Å; C46-L53 HydrophobicContact CB-CG 4.48Å
47V86.9Confident89.5Confident71 Ų7179.7 Ų79.743%0.4343%0.429SS..THydrogen-bonded Turntrans-68.9-9.3-177.9-57.60000115.1P7 L30 L38 N45P7-V47 HydrophobicContact CG-CG2 4.49Å; L30-V47 HydrophobicContact CD2-CG2 4.09Å; L38-V47 HydrophobicContact CD1-CG1 3.81Å; N45-V47 PolarHBondContact O-N 3.41Å
48Q87.3Confident89.5Confident99 Ų9975.1 Ų75.146%0.46341%0.407SS..THydrogen-bonded Turntrans-111.3-31-178.1-65.4-175.4-5.100113.4H28 C46H28-Q48 PolarHBondContact CD2-OE1 3.08Å; H28-Q48 PolarHBondContact NE2-OE1 3.31Å; C46-Q48 PolarHBondContact O-N 2.65Å; C46-Q48 VanDerWaalsContact O-N 3.12Å
49C88.4Confident89.6Confident51 Ų5174.5 Ų74.535%0.34540%0.399SS..THydrogen-bonded Turntrans-134.210.5-175.3650000114.2C26 H28 T51C26-C49 VanDerWaalsContact SG-SG 3.66Å; H28-C49 PolarHBondContact CE1-SG 3.31Å; H28-C49 PolarHBondContact ND1-SG 3Å; H28-C49 VanDerWaalsContact ND1-SG 3.39Å; C49-T51 PolarHBondContact O-N 3.03Å; C49-T51 PolarHBondContact O-OG1 2.97Å; C49-T51 PolarHBondContact SG-OG1 2.83Å
50D87.3Confident89.7Confident115 Ų11578 Ų7862%0.61542%0.421SS*.  trans53.313.8176.4-67.3-45.3000116.5N45 C46N45-D50 PolarHBondContact ND2-O 2.92Å; C46-D50 VanDerWaalsContact O-CA 3.26Å; C46-D50 WeakPolarHBondContact O-CA 3.4Å; C46-D50 PolarHBondContact O-N 2.8Å
51T88.9Confident89.7Confident55 Ų5573.3 Ų73.334%0.33739%0.391SS..  trans-63.6133.2176.4-520000109.8C26 N45 C46 C49 L53C26-T51 VanDerWaalsContact SG-CB 3.59Å; N45-T51 WeakPolarHBondContact CA-O 3.48Å; C46-T51 PolarHBondContact N-O 3.29Å; C49-T51 PolarHBondContact O-N 3.03Å; C49-T51 PolarHBondContact O-OG1 2.97Å; C49-T51 PolarHBondContact SG-OG1 2.83Å; T51-L53 HydrophobicContact CG2-CD2 4.44Å; T51-L53 WeakPolarHBondContact O-CG 3.33Å; T51-L53 PolarHBondContact O-N 3.21Å
52P90.9Very high89.7Confident103 Ų10368.5 Ų68.567%0.66938%0.382SS*.EExtended strand (participates in β ladder)trans-67.9124.2176.727.2-34000110.2
53L92Very high89.8Confident5 Ų571.3 Ų71.33%0.02639%0.385CS..EExtended strand (participates in β ladder)trans-128.7150-174.9-65.9177.5000111.8N24 V25 F39 S43 G44 C46 T51 F58N24-L53 HydrophobicContact CB-CD1 3.78Å; N24-L53 VanDerWaalsContact ND2-CD1 3.32Å; N24-L53 WeakPolarHBondContact ND2-CD1 3.31Å; V25-L53 HydrophobicContact CG2-CD2 3.34Å; F39-L53 HydrophobicContact CE1-CB 3.9Å; F39-L53 HydrophobicContact CZ-CB 4.26Å; S43-L53 WeakPolarHBondContact CA-O 3.45Å; G44-L53 PolarHBondContact N-O 2.96Å; G44-L53 CarbonylContact O-C 3.59Å; G44-L53 WeakPolarHBondContact O-CA 3.38Å; G44-L53 PolarHBondContact O-N 3.34Å; C46-L53 HydrophobicContact CB-CD1 3.7Å; C46-L53 HydrophobicContact CB-CG 4.48Å; T51-L53 HydrophobicContact CG2-CD2 4.44Å; T51-L53 WeakPolarHBondContact O-CG 3.33Å; T51-L53 PolarHBondContact O-N 3.21Å; L53-F58 HydrophobicContact CD1-CZ 4.12Å
54R92Very high89.6Confident169 Ų16974.8 Ų74.864%0.63839%0.393SS*.EExtended strand (participates in β ladder)trans-102.4152.7169.3-65.7179.1179.7-100.50109.5G42 S56 N57G42-R54 WeakPolarHBondContact O-CA 3.39Å; R54-S56 PolarHBondContact O-N 3.43Å; R54-S56 VanDerWaalsContact O-N 3.16Å; R54-N57 PolarHBondContact N-ND2 3.13Å; R54-N57 WeakPolarHBondContact O-CB 3.34Å; R54-N57 PolarHBondContact O-N 2.91Å
55K89.8Confident89.4Confident91 Ų9177.8 Ų77.840%0.39640%0.404SS..G310 helixtrans-54.7-34.7175.8-169.8177.3178.3-178.10112.2V35 E36 F39 G42 N57 F58V35-K55 HydrophobicContact CG1-CG 4.26Å; E36-K55 IonicContact OE1-NZ 2.79Å; F39-K55 HydrophobicContact CB-CB 4.12Å; F39-K55 HydrophobicContact CB-CG 4.36Å; G42-K55 PolarHBondContact O-N 3.24Å; K55-N57 PolarHBondContact O-N 2.97Å; K55-F58 PolarHBondContact O-N 3.07Å
56S89.6Confident89.2Confident99 Ų9973.9 Ų73.969%0.69239%0.386SS*.G310 helixtrans-66.1-15.7176.859.10000115R54 F58R54-S56 PolarHBondContact O-N 3.43Å; R54-S56 VanDerWaalsContact O-N 3.16Å; S56-F58 VanDerWaalsContact C-N 3.27Å
57N88.9Confident89.1Confident57 Ų5777.5 Ų77.531%0.30541%0.407SS..G310 helixtrans-84.9-4.3-179.5-62.5-10.1000112.4V25 R54 K55V25-N57 HydrophobicContact CG1-CB 4.19Å; R54-N57 PolarHBondContact N-ND2 3.13Å; R54-N57 WeakPolarHBondContact O-CB 3.34Å; R54-N57 PolarHBondContact O-N 2.91Å; K55-N57 PolarHBondContact O-N 2.97Å
58F91.4Very high89.3Confident14 Ų1476.4 Ų76.46%0.06140%0.401CS..  trans-89.2138172.2-69.8-88.1000110M22 N24 L30 V35 F39 L53 K55 S56M22-F58 HydrophobicContact CB-CB 4.31Å; M22-F58 HydrophobicContact CB-CD1 4.34Å; M22-F58 HydrophobicContact CE-CB 3.9Å; M22-F58 HydrophobicContact SD-CB 4.21Å; N24-F58 HydrophobicContact CB-CD1 3.95Å; N24-F58 HydrophobicContact CB-CE1 3.68Å; N24-F58 HydrophobicContact CB-CZ 4.16Å; L30-F58 HydrophobicContact CB-CE1 4.48Å; L30-F58 HydrophobicContact CD1-CE1 3.86Å; L30-F58 HydrophobicContact CD1-CZ 4.08Å; V35-F58 HydrophobicContact CG1-CB 4.13Å; V35-F58 HydrophobicContact CG1-CD1 4.28Å; V35-F58 HydrophobicContact CG1-CD2 3.72Å; V35-F58 HydrophobicContact CG1-CE2 4.17Å; V35-F58 HydrophobicContact CG1-CG 3.77Å; V35-F58 HydrophobicContact CG2-CD1 3.66Å; V35-F58 HydrophobicContact CG2-CE1 3.9Å; V35-F58 HydrophobicContact CG2-CG 4Å; V35-F58 HydrophobicContact CG2-CZ 4.44Å; F39-F58 HydrophobicContact CD1-CE2 4.18Å; F39-F58 AromaticContact CD2-CE2 3.81Å; F39-F58 HydrophobicContact CD2-CE2 3.81Å; F39-F58 HydrophobicContact CD2-CZ 4.11Å; F39-F58 AromaticContact CE1-CE2 3.84Å; F39-F58 HydrophobicContact CE1-CE2 3.84Å; F39-F58 HydrophobicContact CE1-CZ 4.32Å; F39-F58 AromaticContact CE2-CE2 3.46Å; F39-F58 HydrophobicContact CE2-CE2 3.46Å; F39-F58 VanDerWaalsContact CE2-CE2 3.46Å; F39-F58 AromaticContact CE2-CZ 3.38Å; F39-F58 HydrophobicContact CE2-CZ 3.38Å; F39-F58 HydrophobicContact CG-CE2 4.19Å; F39-F58 AromaticContact CZ-CE2 3.48Å; F39-F58 HydrophobicContact CZ-CE2 3.48Å; F39-F58 VanDerWaalsContact CZ-CE2 3.48Å; F39-F58 AromaticContact CZ-CZ 3.51Å; F39-F58 HydrophobicContact CZ-CZ 3.51Å; L53-F58 HydrophobicContact CD1-CZ 4.12Å; K55-F58 PolarHBondContact O-N 3.07Å; S56-F58 VanDerWaalsContact C-N 3.27Å
59R91Very high89.5Confident59 Ų5971.9 Ų71.922%0.22338%0.38CS..EExtended strand (participates in β ladder)trans-136.7154.9177.357-171.5167.513616.6109.6M22 V23 Q61 D69 E73M22-R59 CarbonylContact C-O 3.39Å; M22-R59 WeakPolarHBondContact CA-O 3.45Å; M22-R59 VanDerWaalsContact CB-O 3.31Å; M22-R59 WeakPolarHBondContact CB-O 3.35Å; V23-R59 PolarHBondContact N-O 3.07Å; V23-R59 WeakPolarHBondContact O-CG 3.35Å; V23-R59 PolarHBondContact O-N 3.29Å; V23-R59 VanDerWaalsContact O-N 3.1Å; R59-Q61 PolarHBondContact O-N 2.93Å; R59-D69 PolarHBondContact NH1-O 2.9Å; R59-D69 PolarHBondContact NH2-O 3.5Å; R59-E73 IonicContact CZ-OE2 3.69Å; R59-E73 VanDerWaalsContact NH1-CB 3.25Å; R59-E73 IonicContact NH1-OE2 2.93Å; R59-E73 PolarHBondContact NH1-OE2 3.26Å
60V91.8Very high89.7Confident77 Ų7770.2 Ų70.247%0.46737%0.367SS..EExtended strand (participates in β ladder)trans-62.2132.4177.6-178.60000109.1L62V60-L62 PolarHBondContact O-N 2.99Å
61Q90.3Very high90Very high16 Ų1667.5 Ų67.58%0.07535%0.35CS..  trans-69.3122.9175.7-172.9176.3-4.900109.3L21 V23 R59 F63 E64 D69L21-Q61 HydrophobicContact CB-CB 4.12Å; L21-Q61 VanDerWaalsContact O-CB 3.29Å; L21-Q61 WeakPolarHBondContact O-CB 3.35Å; L21-Q61 PolarHBondContact O-N 3.42Å; V23-Q61 HydrophobicContact CG2-CB 3.76Å; V23-Q61 HydrophobicContact CG2-CG 3.61Å; R59-Q61 PolarHBondContact O-N 2.93Å; Q61-F63 WeakPolarHBondContact CG-O 3.46Å; Q61-F63 PolarHBondContact NE2-O 3.46Å; Q61-E64 PolarHBondContact NE2-O 2.95Å; Q61-D69 VanDerWaalsContact CG-OD2 3.3Å; Q61-D69 WeakPolarHBondContact CG-OD2 3.46Å
62L88.3Confident90.2Very high134 Ų13466.6 Ų66.670%0.70235%0.345SS*.  trans-98.2-33.4179.7-64.5177.8000111.6V60 D69V60-L62 PolarHBondContact O-N 2.99Å; L62-D69 PolarHBondContact N-OD2 3.27Å
63F88.3Confident90.2Very high94 Ų9464.1 Ų64.141%0.41232%0.324SS..SBendtrans-102.6158.4-178.5-61.5-76.9000110.9Q61 V68 D69 V72Q61-F63 WeakPolarHBondContact CG-O 3.46Å; Q61-F63 PolarHBondContact NE2-O 3.46Å; F63-V68 HydrophobicContact CB-CB 4.42Å; F63-V68 HydrophobicContact CB-CG1 4.31Å; F63-V68 HydrophobicContact CD1-CG1 4.29Å; F63-V68 HydrophobicContact CD2-CG1 3.94Å; F63-V68 HydrophobicContact CE2-CG1 4.35Å; F63-V68 HydrophobicContact CG-CG1 3.9Å; F63-D69 PolarHBondContact N-OD2 3.25Å; F63-D69 VanDerWaalsContact N-OD2 3.08Å; F63-V72 HydrophobicContact CE2-CG2 4.12Å
64E84.9Confident90.3Very high147 Ų14764.9 Ų64.969%0.68733%0.328SS*.SBendtrans-63.2-50169-63.8-177.5172.300108.6Q4 Q61 A66Q4-E64 PolarHBondContact NE2-O 3.26Å; Q4-E64 PolarHBondContact OE1-O 2.94Å; Q61-E64 PolarHBondContact NE2-O 2.95Å; E64-A66 PolarHBondContact O-N 3.16Å
65D87.4Confident90.4Very high81 Ų8160 Ų6043%0.43331%0.31SS..  trans-77.7120.8179-163.2-18.8000112.9T67 V68 D69D65-T67 PolarHBondContact O-N 2.82Å; D65-T67 WeakPolarHBondContact OD1-CB 3.47Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.36Å; D65-T67 PolarHBondContact OD1-N 2.95Å; D65-T67 PolarHBondContact OD1-OG1 3.11Å; D65-T67 PolarHBondContact OD2-OG1 3.12Å; D65-V68 HydrophobicContact CB-CB 4.25Å; D65-V68 HydrophobicContact CB-CG2 3.82Å; D65-V68 PolarHBondContact O-N 3.47Å; D65-D69 PolarHBondContact O-N 2.87Å
66A87.3Confident90.6Very high13 Ų1361.9 Ų61.911%0.10732%0.318CS..Hα-helixtrans-67.8-23.8176.400000113V23 G27 T29 E64 K70V23-A66 HydrophobicContact CG2-CB 4.07Å; G27-A66 WeakPolarHBondContact O-CB 3.44Å; T29-A66 HydrophobicContact CG2-CB 3.55Å; E64-A66 PolarHBondContact O-N 3.16Å; A66-K70 PolarHBondContact O-N 2.8Å
67T88.8Confident90.8Very high77 Ų7762 Ų6247%0.47231%0.306SS..Hα-helixtrans-69.3-39.9174.768.10000111D65 K70 E71D65-T67 PolarHBondContact O-N 2.82Å; D65-T67 WeakPolarHBondContact OD1-CB 3.47Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.36Å; D65-T67 PolarHBondContact OD1-N 2.95Å; D65-T67 PolarHBondContact OD1-OG1 3.11Å; D65-T67 PolarHBondContact OD2-OG1 3.12Å; T67-K70 WeakPolarHBondContact O-CB 3.4Å; T67-K70 PolarHBondContact O-N 2.91Å; T67-K70 VanDerWaalsContact O-N 3.16Å; T67-E71 PolarHBondContact O-N 3.34Å
68V91.8Very high91.1Very high49 Ų4959.4 Ų59.430%0.29729%0.292SS..Hα-helixtrans-62.8-44.2173.9175.30000110.4F63 D65 K70 E71 V72F63-V68 HydrophobicContact CB-CB 4.42Å; F63-V68 HydrophobicContact CB-CG1 4.31Å; F63-V68 HydrophobicContact CD1-CG1 4.29Å; F63-V68 HydrophobicContact CD2-CG1 3.94Å; F63-V68 HydrophobicContact CE2-CG1 4.35Å; F63-V68 HydrophobicContact CG-CG1 3.9Å; D65-V68 HydrophobicContact CB-CB 4.25Å; D65-V68 HydrophobicContact CB-CG2 3.82Å; D65-V68 PolarHBondContact O-N 3.47Å; V68-K70 VanDerWaalsContact C-N 3.31Å; V68-K70 PolarHBondContact O-N 3.27Å; V68-E71 PolarHBondContact O-N 3.39Å; V68-V72 HydrophobicContact CG1-CG2 4.28Å; V68-V72 WeakPolarHBondContact O-CB 3.43Å; V68-V72 VanDerWaalsContact O-CG2 3.26Å; V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 3.26Å
69D91.1Very high91.2Very high3 Ų364.1 Ų64.12%0.01632%0.316CS..Hα-helixtrans-57.3-44.8173.6-93.3-59.6000111.4V23 R59 Q61 L62 F63 D65 E73V23-D69 HydrophobicContact CB-CB 4.44Å; V23-D69 HydrophobicContact CG1-CB 4.19Å; V23-D69 HydrophobicContact CG2-CB 4.21Å; R59-D69 PolarHBondContact NH1-O 2.9Å; R59-D69 PolarHBondContact NH2-O 3.5Å; Q61-D69 VanDerWaalsContact CG-OD2 3.3Å; Q61-D69 WeakPolarHBondContact CG-OD2 3.46Å; L62-D69 PolarHBondContact N-OD2 3.27Å; F63-D69 PolarHBondContact N-OD2 3.25Å; F63-D69 VanDerWaalsContact N-OD2 3.08Å; D65-D69 PolarHBondContact O-N 2.87Å; D69-E73 PolarHBondContact O-N 2.99Å
70K90.9Very high91.3Very high16 Ų1667.9 Ų67.97%0.0733%0.333CS..Hα-helixtrans-59.9-49.4176.6-173.8-169.2-179.8-176.30111.4C26 A66 T67 V68 E73 I74 T110 N112C26-K70 PolarHBondContact O-NZ 3.33Å; A66-K70 PolarHBondContact O-N 2.8Å; T67-K70 WeakPolarHBondContact O-CB 3.4Å; T67-K70 PolarHBondContact O-N 2.91Å; T67-K70 VanDerWaalsContact O-N 3.16Å; V68-K70 VanDerWaalsContact C-N 3.31Å; V68-K70 PolarHBondContact O-N 3.27Å; K70-E73 WeakPolarHBondContact O-CB 3.37Å; K70-E73 PolarHBondContact O-N 3.39Å; K70-I74 HydrophobicContact CD-CD1 4.45Å; K70-I74 HydrophobicContact CG-CD1 3.94Å; K70-I74 WeakPolarHBondContact O-CG1 3.46Å; K70-I74 PolarHBondContact O-N 2.86Å; K70-I74 VanDerWaalsContact O-N 3.11Å; K70-T110 WeakPolarHBondContact CE-O 3.39Å; K70-T110 PolarHBondContact NZ-O 3.05Å; K70-N112 PolarHBondContact NZ-ND2 2.69Å; K70-N112 PolarHBondContact NZ-OD1 3.37Å
71E93.6Very high91.3Very high58 Ų5865.3 Ų65.327%0.27132%0.317SS..Hα-helixtrans-59-48.3178.8-173.1-165.4142.200111.4T67 V68 E73 I74 R75 V106 T110T67-E71 PolarHBondContact O-N 3.34Å; V68-E71 PolarHBondContact O-N 3.39Å; E71-E73 PolarHBondContact O-N 2.97Å; E71-I74 PolarHBondContact O-N 2.91Å; E71-I74 VanDerWaalsContact O-N 3.08Å; E71-R75 WeakPolarHBondContact O-CB 3.36Å; E71-R75 PolarHBondContact O-N 3.45Å; E71-R75 IonicContact OE1-CZ 3.55Å; E71-R75 IonicContact OE1-NH1 2.73Å; E71-R75 PolarHBondContact OE1-NH1 2.94Å; E71-R75 IonicContact OE1-NH2 3.9Å; E71-R75 PolarHBondContact OE1-NH2 3.01Å; E71-V106 HydrophobicContact CG-CG1 3.93Å; E71-T110 HydrophobicContact CB-CG2 3.99Å; E71-T110 HydrophobicContact CG-CG2 4.41Å
72V93.4Very high91.4Very high36 Ų3665.7 Ų65.722%0.21832%0.318CS..Hα-helixtrans-58.1-36.9179.21690000111.5F63 V68 K76F63-V72 HydrophobicContact CE2-CG2 4.12Å; V68-V72 HydrophobicContact CG1-CG2 4.28Å; V68-V72 WeakPolarHBondContact O-CB 3.43Å; V68-V72 VanDerWaalsContact O-CG2 3.26Å; V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 3.26Å; V72-K76 HydrophobicContact CG1-CD 4.35Å; V72-K76 WeakPolarHBondContact O-CB 3.36Å; V72-K76 VanDerWaalsContact O-CG 3.27Å; V72-K76 WeakPolarHBondContact O-CG 3.38Å; V72-K76 PolarHBondContact O-N 3.15Å
73E91.2Very high91.6Very high52 Ų5260.7 Ų60.724%0.24329%0.292CS..Hα-helixtrans-66.8-45.9175.5-165.249.5-152.600112.8R59 D69 K70 E71 K76 K77R59-E73 IonicContact CZ-OE2 3.69Å; R59-E73 VanDerWaalsContact NH1-CB 3.25Å; R59-E73 IonicContact NH1-OE2 2.93Å; R59-E73 PolarHBondContact NH1-OE2 3.26Å; D69-E73 PolarHBondContact O-N 2.99Å; K70-E73 WeakPolarHBondContact O-CB 3.37Å; K70-E73 PolarHBondContact O-N 3.39Å; E71-E73 PolarHBondContact O-N 2.97Å; E73-K76 PolarHBondContact O-N 3.15Å; E73-K77 WeakPolarHBondContact O-CG 3.32Å; E73-K77 PolarHBondContact O-N 3.44Å; E73-K77 VanDerWaalsContact OE1-CE 3.23Å; E73-K77 WeakPolarHBondContact OE1-CE 3.47Å; E73-K77 IonicContact OE1-NZ 3.71Å
74I93.4Very high91.8Very high21 Ų2158.5 Ų58.511%0.10828%0.282CS..Hα-helixtrans-63.8-47.7-179.7-70.2168.9000108.4K70 E71 K76 K77 V78 V106 L109K70-I74 HydrophobicContact CD-CD1 4.45Å; K70-I74 HydrophobicContact CG-CD1 3.94Å; K70-I74 WeakPolarHBondContact O-CG1 3.46Å; K70-I74 PolarHBondContact O-N 2.86Å; K70-I74 VanDerWaalsContact O-N 3.11Å; E71-I74 PolarHBondContact O-N 2.91Å; E71-I74 VanDerWaalsContact O-N 3.08Å; I74-K76 VanDerWaalsContact C-N 3.35Å; I74-K76 PolarHBondContact O-N 3.05Å; I74-K77 WeakPolarHBondContact O-CB 3.44Å; I74-K77 PolarHBondContact O-N 3.28Å; I74-V78 HydrophobicContact CG2-CG2 4.16Å; I74-V78 VanDerWaalsContact O-CG2 3.28Å; I74-V78 WeakPolarHBondContact O-CG2 3.44Å; I74-V78 PolarHBondContact O-N 3.47Å; I74-V106 HydrophobicContact CG2-CG1 4.3Å; I74-V106 HydrophobicContact CG2-CG2 4.47Å; I74-L109 HydrophobicContact CD1-CB 4.07Å; I74-L109 HydrophobicContact CG2-CB 3.63Å; I74-L109 HydrophobicContact CG2-CD1 3.82Å; I74-L109 HydrophobicContact CG2-CG 4.39Å
75R95.6Very high92Very high66 Ų6655 Ų5525%0.24926%0.263CS..Hα-helixtrans-56.4-46.2175.8-172.4175-76.1117.54.4111.5E71 K77 V78 M79 E103 V106E71-R75 WeakPolarHBondContact O-CB 3.36Å; E71-R75 PolarHBondContact O-N 3.45Å; E71-R75 IonicContact OE1-CZ 3.55Å; E71-R75 IonicContact OE1-NH1 2.73Å; E71-R75 PolarHBondContact OE1-NH1 2.94Å; E71-R75 IonicContact OE1-NH2 3.9Å; E71-R75 PolarHBondContact OE1-NH2 3.01Å; R75-K77 VanDerWaalsContact C-N 3.32Å; R75-K77 PolarHBondContact O-N 3.44Å; R75-V78 PolarHBondContact O-N 2.68Å; R75-M79 HydrophobicContact CG-CG 4.1Å; R75-M79 HydrophobicContact CG-SD 3.86Å; R75-M79 WeakPolarHBondContact O-CB 3.35Å; R75-M79 VanDerWaalsContact O-CG 3.27Å; R75-M79 WeakPolarHBondContact O-CG 3.39Å; R75-M79 PolarHBondContact O-N 2.96Å; R75-E103 IonicContact CZ-OE1 2.71Å; R75-E103 IonicContact CZ-OE2 3.77Å; R75-E103 IonicContact NE-OE1 3.13Å; R75-E103 PolarHBondContact NE-OE1 3.04Å; R75-E103 IonicContact NE-OE2 3.2Å; R75-E103 IonicContact NH2-OE1 2.69Å; R75-E103 IonicContact NH2-OE2 2.73Å; R75-E103 PolarHBondContact NH2-OE2 3.18Å; R75-V106 HydrophobicContact CB-CG1 4.33Å; R75-V106 HydrophobicContact CB-CG2 4.24Å; R75-V106 HydrophobicContact CG-CG2 4.45Å
76K93.8Very high92.2Very high131 Ų13156.6 Ų56.657%0.5727%0.267SS*.Hα-helixtrans-57.8-41.5174.9-77.8175.3-178.6-179.70112.9V72 E73 I74 K80V72-K76 HydrophobicContact CG1-CD 4.35Å; V72-K76 WeakPolarHBondContact O-CB 3.36Å; V72-K76 VanDerWaalsContact O-CG 3.27Å; V72-K76 WeakPolarHBondContact O-CG 3.38Å; V72-K76 PolarHBondContact O-N 3.15Å; E73-K76 PolarHBondContact O-N 3.15Å; I74-K76 VanDerWaalsContact C-N 3.35Å; I74-K76 PolarHBondContact O-N 3.05Å; K76-K80 PolarHBondContact O-N 3.36Å
77K92.9Very high92.3Very high102 Ų10261.8 Ų61.844%0.44329%0.288SS..Hα-helixtrans-68.4-43.7177.4-72.5171.7-177.21670112E73 I74 R75 K80E73-K77 WeakPolarHBondContact O-CG 3.32Å; E73-K77 PolarHBondContact O-N 3.44Å; E73-K77 VanDerWaalsContact OE1-CE 3.23Å; E73-K77 WeakPolarHBondContact OE1-CE 3.47Å; E73-K77 IonicContact OE1-NZ 3.71Å; I74-K77 WeakPolarHBondContact O-CB 3.44Å; I74-K77 PolarHBondContact O-N 3.28Å; R75-K77 VanDerWaalsContact C-N 3.32Å; R75-K77 PolarHBondContact O-N 3.44Å; K77-K80 WeakPolarHBondContact O-CB 3.46Å; K77-K80 PolarHBondContact O-N 3.12Å
78V94.8Very high92.4Very high1 Ų161.1 Ų61.11%0.00628%0.282CS..Hα-helixtrans-64.6-50.2178.8175.90000109.9I74 R75 K80 I81 Y82 V102 I105 V106 L109 M122I74-V78 HydrophobicContact CG2-CG2 4.16Å; I74-V78 VanDerWaalsContact O-CG2 3.28Å; I74-V78 WeakPolarHBondContact O-CG2 3.44Å; I74-V78 PolarHBondContact O-N 3.47Å; R75-V78 PolarHBondContact O-N 2.68Å; V78-K80 PolarHBondContact O-N 3.3Å; V78-K80 VanDerWaalsContact O-N 3.15Å; V78-I81 PolarHBondContact O-N 2.94Å; V78-Y82 HydrophobicContact CG1-CD2 3.68Å; V78-Y82 HydrophobicContact CG1-CE2 4.32Å; V78-Y82 HydrophobicContact CG1-CG 4.33Å; V78-Y82 WeakPolarHBondContact O-CB 3.47Å; V78-Y82 PolarHBondContact O-N 3.03Å; V78-V102 HydrophobicContact CG1-CG1 3.86Å; V78-I105 HydrophobicContact CG1-CG2 4.13Å; V78-I105 HydrophobicContact CG2-CG2 3.85Å; V78-V106 HydrophobicContact CB-CG2 4.1Å; V78-V106 HydrophobicContact CG1-CG2 4.22Å; V78-V106 HydrophobicContact CG2-CG2 4.02Å; V78-L109 HydrophobicContact CG2-CD1 4.22Å; V78-M122 HydrophobicContact CB-CE 4.4Å; V78-M122 HydrophobicContact CG2-CE 3.73Å; V78-M122 HydrophobicContact CG2-SD 4.2Å
79M93.9Very high92.4Very high114 Ų11460.9 Ų60.956%0.56228%0.277SS*.Hα-helixtrans-61-25.5178.7-70.3-175.880.700113.7R75 I81 Y82R75-M79 HydrophobicContact CG-CG 4.1Å; R75-M79 HydrophobicContact CG-SD 3.86Å; R75-M79 WeakPolarHBondContact O-CB 3.35Å; R75-M79 VanDerWaalsContact O-CG 3.27Å; R75-M79 WeakPolarHBondContact O-CG 3.39Å; R75-M79 PolarHBondContact O-N 2.96Å; M79-I81 VanDerWaalsContact C-N 3.28Å; M79-I81 PolarHBondContact O-N 3.3Å; M79-Y82 CarbonylContact O-C 3.57Å
80K92.9Very high92.5Very high137 Ų13766.7 Ų66.760%0.59631%0.314SS*.Hα-helixtrans-68.3-28.4174.1-171.4176.1-179.3177.90112.7K76 K77 V78K76-K80 PolarHBondContact O-N 3.36Å; K77-K80 WeakPolarHBondContact O-CB 3.46Å; K77-K80 PolarHBondContact O-N 3.12Å; V78-K80 PolarHBondContact O-N 3.3Å; V78-K80 VanDerWaalsContact O-N 3.15Å
81I92.4Very high92.8Very high24 Ų2468.2 Ų68.212%0.12333%0.327CS..Hα-helixtrans-93-45.6176.9-63.4163.2000109.7V78 M79 N83 M122 Y125 Q126 I133V78-I81 PolarHBondContact O-N 2.94Å; M79-I81 VanDerWaalsContact C-N 3.28Å; M79-I81 PolarHBondContact O-N 3.3Å; I81-N83 PolarHBondContact O-N 2.92Å; I81-M122 HydrophobicContact CD1-CE 3.62Å; I81-Y125 HydrophobicContact CG2-CD1 3.77Å; I81-Y125 HydrophobicContact CG2-CE1 4.21Å; I81-Q126 HydrophobicContact CG2-CB 4.07Å; I81-Q126 HydrophobicContact CG2-CG 4.47Å; I81-I133 HydrophobicContact CG2-CD1 4.07Å; I81-I133 WeakPolarHBondContact O-CD1 3.35Å; I81-I133 VanDerWaalsContact O-CG1 3.29Å; I81-I133 WeakPolarHBondContact O-CG1 3.38Å
82Y92.9Very high92.9Very high24 Ų2470.2 Ų70.29%0.09434%0.339CS..  trans-90.166.1-179.3-74.5-90.5000111.1V78 M79 Y98 V102 I105 M122 Y125V78-Y82 HydrophobicContact CG1-CD2 3.68Å; V78-Y82 HydrophobicContact CG1-CE2 4.32Å; V78-Y82 HydrophobicContact CG1-CG 4.33Å; V78-Y82 WeakPolarHBondContact O-CB 3.47Å; V78-Y82 PolarHBondContact O-N 3.03Å; M79-Y82 CarbonylContact O-C 3.57Å; Y82-Y98 WeakPolarHBondContact CA-OH 3.36Å; Y82-Y98 VanDerWaalsContact CB-OH 3.23Å; Y82-Y98 WeakPolarHBondContact CB-OH 3.33Å; Y82-Y98 AromaticContact CD1-CE2 3.7Å; Y82-Y98 HydrophobicContact CD1-CE2 3.7Å; Y82-Y98 AromaticContact CD1-CZ 3.95Å; Y82-Y98 HydrophobicContact CE1-CE2 4.44Å; Y82-Y98 PolarHBondContact O-OH 3.18Å; Y82-V102 HydrophobicContact CD1-CG2 3.83Å; Y82-V102 HydrophobicContact CG-CG2 3.87Å; Y82-I105 HydrophobicContact CE1-CD1 4.24Å; Y82-I105 HydrophobicContact CE2-CD1 3.86Å; Y82-I105 WeakPolarHBondContact OH-CD1 3.42Å; Y82-M122 HydrophobicContact CE2-CG 4.14Å; Y82-Y125 HydrophobicContact CD1-CD1 4.19Å; Y82-Y125 AromaticContact CD1-CE1 3.77Å; Y82-Y125 HydrophobicContact CD1-CE1 3.77Å; Y82-Y125 HydrophobicContact CD1-CE2 4.33Å; Y82-Y125 AromaticContact CD1-CZ 3.83Å; Y82-Y125 AromaticContact CE1-CD1 3.8Å; Y82-Y125 HydrophobicContact CE1-CD1 3.8Å; Y82-Y125 AromaticContact CE1-CD2 3.92Å; Y82-Y125 HydrophobicContact CE1-CD2 3.92Å; Y82-Y125 AromaticContact CE1-CE1 3.8Å; Y82-Y125 HydrophobicContact CE1-CE1 3.8Å; Y82-Y125 AromaticContact CE1-CE2 3.92Å; Y82-Y125 HydrophobicContact CE1-CE2 3.92Å; Y82-Y125 AromaticContact CE1-CG 3.85Å; Y82-Y125 HydrophobicContact CE1-CG 3.85Å; Y82-Y125 AromaticContact CE1-CZ 3.85Å; Y82-Y125 HydrophobicContact CE2-CD1 4.17Å; Y82-Y125 HydrophobicContact CG-CE1 4.16Å; Y82-Y125 AromaticContact CZ-CD1 3.8Å; Y82-Y125 AromaticContact CZ-CG 3.82Å
83N92.3Very high93Very high29 Ų2977.5 Ų77.516%0.15536%0.362CS..  trans-104.127.6-173.368.4-9.4000114.8I81 I133 N136I81-N83 PolarHBondContact O-N 2.92Å; N83-I133 PolarHBondContact ND2-O 3.4Å; N83-I133 WeakPolarHBondContact OD1-CA 3.34Å; N83-N136 HydrophobicContact CB-CB 4.44Å; N83-N136 VanDerWaalsContact ND2-CB 3.32Å; N83-N136 WeakPolarHBondContact ND2-CB 3.4Å; N83-N136 PolarHBondContact O-ND2 3.45Å
84K91.6Very high93.2Very high48 Ų4878.1 Ų78.121%0.20937%0.367CS..  trans-75.3142170.8-65.5175.9-178.2-93.10110.4D88 F89 Y98 Y125K84-D88 WeakPolarHBondContact CA-OD2 3.43Å; K84-D88 HydrophobicContact CB-CB 4.35Å; K84-F89 HydrophobicContact CB-CE2 3.63Å; K84-F89 HydrophobicContact CB-CZ 3.84Å; K84-F89 HydrophobicContact CD-CE1 4.43Å; K84-F89 HydrophobicContact CD-CE2 4.3Å; K84-F89 HydrophobicContact CD-CZ 3.72Å; K84-F89 HydrophobicContact CG-CZ 4.44Å; K84-Y98 HydrophobicContact CB-CE1 4.21Å; K84-Y98 HydrophobicContact CB-CE2 4.43Å; K84-Y98 HydrophobicContact CD-CE2 4.07Å; K84-Y98 PolarHBondContact N-OH 3.07Å; K84-Y125 WeakPolarHBondContact CD-OH 3.42Å; K84-Y125 WeakPolarHBondContact CE-OH 3.25Å
85R89.6Confident93.3Very high74 Ų7479.5 Ų79.528%0.27937%0.372SS..  trans-106.5167.2178.4-66.5-175.3-178.9-178.98.6110.5F87 D88 F89 E143R85-F87 HydrophobicContact CB-CD1 3.82Å; R85-F87 HydrophobicContact CB-CE1 3.48Å; R85-F87 VanDerWaalsContact CB-CE1 3.48Å; R85-F87 HydrophobicContact CB-CE2 4.44Å; R85-F87 HydrophobicContact CB-CG 4.46Å; R85-F87 HydrophobicContact CB-CZ 3.8Å; R85-F87 HydrophobicContact CG-CE1 4Å; R85-F87 HydrophobicContact CG-CZ 4.19Å; R85-F87 PolarHBondContact O-N 2.89Å; R85-F87 VanDerWaalsContact O-N 3.15Å; R85-D88 PolarHBondContact N-OD2 3.41Å; R85-D88 VanDerWaalsContact O-CB 3.32Å; R85-D88 WeakPolarHBondContact O-CB 3.42Å; R85-D88 PolarHBondContact O-N 3.41Å; R85-F89 VanDerWaalsContact O-CD2 3.26Å; R85-F89 WeakPolarHBondContact O-CD2 3.37Å; R85-E143 IonicContact CZ-OE1 2.94Å; R85-E143 IonicContact CZ-OE2 3.72Å; R85-E143 VanDerWaalsContact CZ-OE2 3.29Å; R85-E143 IonicContact NH1-OE1 3.01Å; R85-E143 PolarHBondContact NH1-OE1 3.44Å; R85-E143 IonicContact NH1-OE2 3.05Å; R85-E143 PolarHBondContact NH1-OE2 2.95Å; R85-E143 IonicContact NH2-OE1 3.29Å; R85-E143 IonicContact NH2-OE2 3.51Å; R85-E143 PolarHBondContact NH2-OE2 3Å
86E91.3Very high93.3Very high113 Ų11380.2 Ų80.253%0.52838%0.381SS..G310 helixtrans-50.3-41.4-179.5-172.6-178.5173.400113.1D88 F89 Y95E86-D88 PolarHBondContact O-N 3.31Å; E86-F89 PolarHBondContact O-N 2.92Å; E86-F89 VanDerWaalsContact O-N 3.15Å; E86-Y95 HydrophobicContact CB-CD1 3.92Å; E86-Y95 HydrophobicContact CB-CD2 4.45Å; E86-Y95 HydrophobicContact CB-CE1 3.88Å; E86-Y95 HydrophobicContact CB-CE2 4.43Å; E86-Y95 HydrophobicContact CB-CG 4.2Å; E86-Y95 HydrophobicContact CG-CD1 3.84Å; E86-Y95 HydrophobicContact CG-CE1 4.21Å; E86-Y95 HydrophobicContact CG-CG 4.23Å
87F90Very high93.4Very high122 Ų12277.7 Ų77.754%0.53537%0.373SS..G310 helixtrans-68.3-13.8179.363.9-107000114.9R85 F89R85-F87 HydrophobicContact CB-CD1 3.82Å; R85-F87 HydrophobicContact CB-CE1 3.48Å; R85-F87 VanDerWaalsContact CB-CE1 3.48Å; R85-F87 HydrophobicContact CB-CE2 4.44Å; R85-F87 HydrophobicContact CB-CG 4.46Å; R85-F87 HydrophobicContact CB-CZ 3.8Å; R85-F87 HydrophobicContact CG-CE1 4Å; R85-F87 HydrophobicContact CG-CZ 4.19Å; R85-F87 PolarHBondContact O-N 2.89Å; R85-F87 VanDerWaalsContact O-N 3.15Å; F87-F89 PolarHBondContact O-N 3.34Å
88D90.2Very high93.5Very high64 Ų6473.6 Ų73.634%0.34236%0.355SS..G310 helixtrans-79.4-7.2175.9-65.3-45.5000111.8K84 R85 E86K84-D88 WeakPolarHBondContact CA-OD2 3.43Å; K84-D88 HydrophobicContact CB-CB 4.35Å; R85-D88 PolarHBondContact N-OD2 3.41Å; R85-D88 VanDerWaalsContact O-CB 3.32Å; R85-D88 WeakPolarHBondContact O-CB 3.42Å; R85-D88 PolarHBondContact O-N 3.41Å; E86-D88 PolarHBondContact O-N 3.31Å
89F93.3Very high93.5Very high44 Ų4476.8 Ų76.819%0.19337%0.372CS..SBendtrans-111.5147.4-177.8-63.5-88.7000111.6K84 R85 E86 F87 S91 D94 Y95 Y98K84-F89 HydrophobicContact CB-CE2 3.63Å; K84-F89 HydrophobicContact CB-CZ 3.84Å; K84-F89 HydrophobicContact CD-CE1 4.43Å; K84-F89 HydrophobicContact CD-CE2 4.3Å; K84-F89 HydrophobicContact CD-CZ 3.72Å; K84-F89 HydrophobicContact CG-CZ 4.44Å; R85-F89 VanDerWaalsContact O-CD2 3.26Å; R85-F89 WeakPolarHBondContact O-CD2 3.37Å; E86-F89 PolarHBondContact O-N 2.92Å; E86-F89 VanDerWaalsContact O-N 3.15Å; F87-F89 PolarHBondContact O-N 3.34Å; F89-S91 VanDerWaalsContact C-N 3.34Å; F89-D94 HydrophobicContact CB-CB 4.4Å; F89-D94 HydrophobicContact CD1-CB 4.08Å; F89-Y95 AromaticContact CD2-CD2 3.61Å; F89-Y95 HydrophobicContact CD2-CD2 3.61Å; F89-Y95 HydrophobicContact CD2-CG 4.25Å; F89-Y95 AromaticContact CE2-CD2 3.64Å; F89-Y95 HydrophobicContact CE2-CD2 3.64Å; F89-Y95 HydrophobicContact CE2-CE2 4.33Å; F89-Y98 HydrophobicContact CE1-CD2 4.23Å; F89-Y98 HydrophobicContact CE1-CG 4.06Å; F89-Y98 HydrophobicContact CE2-CD1 4.07Å; F89-Y98 HydrophobicContact CE2-CE1 4.44Å; F89-Y98 HydrophobicContact CE2-CG 4.22Å; F89-Y98 AromaticContact CZ-CD1 3.73Å; F89-Y98 HydrophobicContact CZ-CD1 3.73Å; F89-Y98 AromaticContact CZ-CD2 3.69Å; F89-Y98 HydrophobicContact CZ-CD2 3.69Å; F89-Y98 HydrophobicContact CZ-CE1 4.22Å; F89-Y98 HydrophobicContact CZ-CE2 4.14Å; F89-Y98 AromaticContact CZ-CG 3.44Å; F89-Y98 HydrophobicContact CZ-CG 3.44Å; F89-Y98 VanDerWaalsContact CZ-CG 3.44Å
90P93.4Very high93.6Very high124 Ų12477.1 Ų77.181%0.80537%0.372SS*.SBendtrans-76.3-22.3-18030.5-33.5000112.9D94P90-D94 WeakPolarHBondContact CG-OD2 3.43Å
91S96.1Very high93.7Very high48 Ų4874.9 Ų74.934%0.33636%0.364SS..SBendtrans-140.6154.3178.683.20000112.2F89 R93 D94 Y95F89-S91 VanDerWaalsContact C-N 3.34Å; S91-R93 PolarHBondContact O-N 2.88Å; S91-R93 PolarHBondContact OG-N 3.05Å; S91-D94 WeakPolarHBondContact CB-OD2 3.45Å; S91-D94 PolarHBondContact O-N 3.33Å; S91-D94 PolarHBondContact OG-N 2.89Å; S91-D94 PolarHBondContact OG-OD2 2.88Å; S91-Y95 PolarHBondContact O-N 3.48Å
92L95.6Very high93.8Very high100 Ų10074.2 Ų74.252%0.52436%0.361SS..Hα-helixtrans-62.3-30.4174-178.262.7000112.1Y95 N96L92-Y95 HydrophobicContact CD1-CD1 4.31Å; L92-Y95 PolarHBondContact O-N 3.21Å; L92-N96 PolarHBondContact O-N 2.97Å; L92-N96 PolarHBondContact O-ND2 3.47Å
93R96.3Very high94Very high189 Ų18976.6 Ų76.671%0.71337%0.373SS*.Hα-helixtrans-65.3-46.3177.7-174.3173.9-175.3169.43.3111.1S91 Y95 N96 D97S91-R93 PolarHBondContact O-N 2.88Å; S91-R93 PolarHBondContact OG-N 3.05Å; R93-Y95 PolarHBondContact O-N 3.31Å; R93-N96 PolarHBondContact O-N 2.88Å; R93-D97 WeakPolarHBondContact O-CB 3.45Å; R93-D97 VanDerWaalsContact O-CG 3.27Å; R93-D97 PolarHBondContact O-N 3.03Å
94D95.1Very high94.1Very high65 Ų6579.1 Ų79.135%0.34839%0.386SS..Hα-helixtrans-63.2-35178.2-56.9-48.1000111.5F89 P90 S91 Y98F89-D94 HydrophobicContact CB-CB 4.4Å; F89-D94 HydrophobicContact CD1-CB 4.08Å; P90-D94 WeakPolarHBondContact CG-OD2 3.43Å; S91-D94 WeakPolarHBondContact CB-OD2 3.45Å; S91-D94 PolarHBondContact O-N 3.33Å; S91-D94 PolarHBondContact OG-N 2.89Å; S91-D94 PolarHBondContact OG-OD2 2.88Å; D94-Y98 VanDerWaalsContact O-CB 3.3Å; D94-Y98 WeakPolarHBondContact O-CB 3.34Å; D94-Y98 PolarHBondContact O-N 2.98Å
95Y95.4Very high94.2Very high50 Ų5077.1 Ų77.120%0.19638%0.378CS..Hα-helixtrans-66.7-44174.3-179.5-122.4000112.2E86 F89 S91 L92 R93 Y98 L99E86-Y95 HydrophobicContact CB-CD1 3.92Å; E86-Y95 HydrophobicContact CB-CD2 4.45Å; E86-Y95 HydrophobicContact CB-CE1 3.88Å; E86-Y95 HydrophobicContact CB-CE2 4.43Å; E86-Y95 HydrophobicContact CB-CG 4.2Å; E86-Y95 HydrophobicContact CG-CD1 3.84Å; E86-Y95 HydrophobicContact CG-CE1 4.21Å; E86-Y95 HydrophobicContact CG-CG 4.23Å; F89-Y95 AromaticContact CD2-CD2 3.61Å; F89-Y95 HydrophobicContact CD2-CD2 3.61Å; F89-Y95 HydrophobicContact CD2-CG 4.25Å; F89-Y95 AromaticContact CE2-CD2 3.64Å; F89-Y95 HydrophobicContact CE2-CD2 3.64Å; F89-Y95 HydrophobicContact CE2-CE2 4.33Å; S91-Y95 PolarHBondContact O-N 3.48Å; L92-Y95 HydrophobicContact CD1-CD1 4.31Å; L92-Y95 PolarHBondContact O-N 3.21Å; R93-Y95 PolarHBondContact O-N 3.31Å; Y95-Y98 HydrophobicContact CD2-CD1 4.34Å; Y95-Y98 HydrophobicContact CE2-CD1 4.41Å; Y95-Y98 WeakPolarHBondContact O-CB 3.3Å; Y95-Y98 PolarHBondContact O-N 2.94Å; Y95-L99 HydrophobicContact CD1-CD1 4.22Å; Y95-L99 HydrophobicContact CE1-CD1 3.7Å; Y95-L99 HydrophobicContact CE1-CG 4.32Å; Y95-L99 HydrophobicContact CE2-CD1 4.37Å; Y95-L99 HydrophobicContact CE2-CD2 4.11Å; Y95-L99 HydrophobicContact CE2-CG 4.13Å; Y95-L99 WeakPolarHBondContact O-CG 3.49Å; Y95-L99 PolarHBondContact O-N 3.41Å
96N95.8Very high94.5Very high82 Ų8273.7 Ų73.744%0.43937%0.365SS..Hα-helixtrans-66.2-42176.6-70.3-24.6000112.1L92 R93 Y98 L99 E100L92-N96 PolarHBondContact O-N 2.97Å; L92-N96 PolarHBondContact O-ND2 3.47Å; R93-N96 PolarHBondContact O-N 2.88Å; N96-Y98 PolarHBondContact O-N 3.33Å; N96-L99 PolarHBondContact O-N 3.06Å; N96-L99 VanDerWaalsContact O-N 3.12Å; N96-E100 PolarHBondContact O-N 3.29Å
97D96Very high94.7Very high77 Ų7775.2 Ų75.241%0.41237%0.367SS..Hα-helixtrans-62.9-31.3175.2-67.9-17.6000111.2R93 Q101R93-D97 WeakPolarHBondContact O-CB 3.45Å; R93-D97 VanDerWaalsContact O-CG 3.27Å; R93-D97 PolarHBondContact O-N 3.03Å; D97-Q101 VanDerWaalsContact O-CG 3.28Å; D97-Q101 WeakPolarHBondContact O-CG 3.2Å; D97-Q101 PolarHBondContact O-N 3.45Å; D97-Q101 PolarHBondContact O-NE2 3.01Å
98Y94.9Very high94.9Very high16 Ų1671.2 Ų71.26%0.06335%0.351CS..Hα-helixtrans-70.8-41.6171.6168.2-94.3000112.7Y82 K84 F89 D94 Y95 N96 Q101 V102Y82-Y98 WeakPolarHBondContact CA-OH 3.36Å; Y82-Y98 VanDerWaalsContact CB-OH 3.23Å; Y82-Y98 WeakPolarHBondContact CB-OH 3.33Å; Y82-Y98 AromaticContact CD1-CE2 3.7Å; Y82-Y98 HydrophobicContact CD1-CE2 3.7Å; Y82-Y98 AromaticContact CD1-CZ 3.95Å; Y82-Y98 HydrophobicContact CE1-CE2 4.44Å; Y82-Y98 PolarHBondContact O-OH 3.18Å; K84-Y98 HydrophobicContact CB-CE1 4.21Å; K84-Y98 HydrophobicContact CB-CE2 4.43Å; K84-Y98 HydrophobicContact CD-CE2 4.07Å; K84-Y98 PolarHBondContact N-OH 3.07Å; F89-Y98 HydrophobicContact CE1-CD2 4.23Å; F89-Y98 HydrophobicContact CE1-CG 4.06Å; F89-Y98 HydrophobicContact CE2-CD1 4.07Å; F89-Y98 HydrophobicContact CE2-CE1 4.44Å; F89-Y98 HydrophobicContact CE2-CG 4.22Å; F89-Y98 AromaticContact CZ-CD1 3.73Å; F89-Y98 HydrophobicContact CZ-CD1 3.73Å; F89-Y98 AromaticContact CZ-CD2 3.69Å; F89-Y98 HydrophobicContact CZ-CD2 3.69Å; F89-Y98 HydrophobicContact CZ-CE1 4.22Å; F89-Y98 HydrophobicContact CZ-CE2 4.14Å; F89-Y98 AromaticContact CZ-CG 3.44Å; F89-Y98 HydrophobicContact CZ-CG 3.44Å; F89-Y98 VanDerWaalsContact CZ-CG 3.44Å; D94-Y98 VanDerWaalsContact O-CB 3.3Å; D94-Y98 WeakPolarHBondContact O-CB 3.34Å; D94-Y98 PolarHBondContact O-N 2.98Å; Y95-Y98 HydrophobicContact CD2-CD1 4.34Å; Y95-Y98 HydrophobicContact CE2-CD1 4.41Å; Y95-Y98 WeakPolarHBondContact O-CB 3.3Å; Y95-Y98 PolarHBondContact O-N 2.94Å; N96-Y98 PolarHBondContact O-N 3.33Å; Y98-Q101 PolarHBondContact O-N 3.5Å; Y98-V102 HydrophobicContact CE1-CG2 4.22Å; Y98-V102 WeakPolarHBondContact O-CG2 3.41Å; Y98-V102 PolarHBondContact O-N 2.93Å; Y98-V102 VanDerWaalsContact O-N 3.08Å
99L95.4Very high95Very high68 Ų6869.4 Ų69.436%0.35634%0.341SS..Hα-helixtrans-64.5-40.5175.7-69.8-179.9000111.7Y95 N96 Q101 V102 E103Y95-L99 HydrophobicContact CD1-CD1 4.22Å; Y95-L99 HydrophobicContact CE1-CD1 3.7Å; Y95-L99 HydrophobicContact CE1-CG 4.32Å; Y95-L99 HydrophobicContact CE2-CD1 4.37Å; Y95-L99 HydrophobicContact CE2-CD2 4.11Å; Y95-L99 HydrophobicContact CE2-CG 4.13Å; Y95-L99 WeakPolarHBondContact O-CG 3.49Å; Y95-L99 PolarHBondContact O-N 3.41Å; N96-L99 PolarHBondContact O-N 3.06Å; N96-L99 VanDerWaalsContact O-N 3.12Å; L99-Q101 VanDerWaalsContact C-N 3.35Å; L99-Q101 PolarHBondContact O-N 3.48Å; L99-V102 WeakPolarHBondContact O-CB 3.44Å; L99-V102 PolarHBondContact O-N 3.49Å; L99-V102 VanDerWaalsContact O-N 3.11Å; L99-E103 PolarHBondContact O-N 2.9Å
100E96.1Very high94.9Very high122 Ų12268.1 Ų68.157%0.5734%0.337SS*.Hα-helixtrans-60.4-45.2175.1-168.268.6-173.500111N96 V102 E103 D104N96-E100 PolarHBondContact O-N 3.29Å; E100-V102 VanDerWaalsContact C-N 3.25Å; E100-V102 PolarHBondContact O-N 3.37Å; E100-E103 PolarHBondContact O-N 3.03Å; E100-E103 VanDerWaalsContact O-N 3.1Å; E100-D104 PolarHBondContact O-N 3.15Å
101Q93.7Very high94.8Very high89 Ų8966 Ų6642%0.41632%0.319SS..Hα-helixtrans-59.5-35.4174.5-75.7170.166.200112.9D97 Y98 L99 I105D97-Q101 VanDerWaalsContact O-CG 3.28Å; D97-Q101 WeakPolarHBondContact O-CG 3.2Å; D97-Q101 PolarHBondContact O-N 3.45Å; D97-Q101 PolarHBondContact O-NE2 3.01Å; Y98-Q101 PolarHBondContact O-N 3.5Å; L99-Q101 VanDerWaalsContact C-N 3.35Å; L99-Q101 PolarHBondContact O-N 3.48Å; Q101-I105 WeakPolarHBondContact O-CD1 3.43Å; Q101-I105 VanDerWaalsContact O-CG1 3.25Å; Q101-I105 WeakPolarHBondContact O-CG1 3.36Å; Q101-I105 PolarHBondContact O-N 3.38Å
102V95.6Very high94.4Very high10 Ų1069 Ų696%0.06133%0.331CS..Hα-helixtrans-67-43.3175.2167.40000110.6V78 Y82 Y98 L99 E100 I105 V106V78-V102 HydrophobicContact CG1-CG1 3.86Å; Y82-V102 HydrophobicContact CD1-CG2 3.83Å; Y82-V102 HydrophobicContact CG-CG2 3.87Å; Y98-V102 HydrophobicContact CE1-CG2 4.22Å; Y98-V102 WeakPolarHBondContact O-CG2 3.41Å; Y98-V102 PolarHBondContact O-N 2.93Å; Y98-V102 VanDerWaalsContact O-N 3.08Å; L99-V102 WeakPolarHBondContact O-CB 3.44Å; L99-V102 PolarHBondContact O-N 3.49Å; L99-V102 VanDerWaalsContact O-N 3.11Å; E100-V102 VanDerWaalsContact C-N 3.25Å; E100-V102 PolarHBondContact O-N 3.37Å; V102-I105 WeakPolarHBondContact O-CB 3.38Å; V102-I105 PolarHBondContact O-N 2.94Å; V102-V106 WeakPolarHBondContact O-CG2 3.43Å; V102-V106 PolarHBondContact O-N 3.45Å
103E96.1Very high94.1Very high75 Ų7567.7 Ų67.735%0.3533%0.327SS..Hα-helixtrans-68.1-37.3177.7-70.4-57.9142.800112.3R75 L99 E100 I105 V106 Y107R75-E103 IonicContact CZ-OE1 2.71Å; R75-E103 IonicContact CZ-OE2 3.77Å; R75-E103 IonicContact NE-OE1 3.13Å; R75-E103 PolarHBondContact NE-OE1 3.04Å; R75-E103 IonicContact NE-OE2 3.2Å; R75-E103 IonicContact NH2-OE1 2.69Å; R75-E103 IonicContact NH2-OE2 2.73Å; R75-E103 PolarHBondContact NH2-OE2 3.18Å; L99-E103 PolarHBondContact O-N 2.9Å; E100-E103 PolarHBondContact O-N 3.03Å; E100-E103 VanDerWaalsContact O-N 3.1Å; E103-I105 VanDerWaalsContact C-N 3.3Å; E103-I105 PolarHBondContact O-N 2.87Å; E103-V106 PolarHBondContact O-N 3.2Å; E103-V106 VanDerWaalsContact O-N 3.16Å; E103-Y107 VanDerWaalsContact O-CB 3.29Å; E103-Y107 WeakPolarHBondContact O-CB 3.32Å; E103-Y107 PolarHBondContact O-N 3.44Å
104D95.1Very high93.7Very high82 Ų8263 Ų6344%0.43932%0.317SS..Hα-helixtrans-56.3-44.9171-81.1-23.9000111.7E100 Y107 N108E100-D104 PolarHBondContact O-N 3.15Å; D104-Y107 PolarHBondContact O-N 3.34Å; D104-N108 VanDerWaalsContact O-CB 3.3Å; D104-N108 WeakPolarHBondContact O-CB 3.3Å; D104-N108 PolarHBondContact O-N 3.2Å; D104-N108 PolarHBondContact O-ND2 3.37Å
105I94.3Very high93.4Very high5 Ų561.5 Ų61.53%0.02631%0.31CS..Hα-helixtrans-63.1-45.2177-70.3166.3000110.5V78 Y82 Q101 V102 E103 L109 T118 M122V78-I105 HydrophobicContact CG1-CG2 4.13Å; V78-I105 HydrophobicContact CG2-CG2 3.85Å; Y82-I105 HydrophobicContact CE1-CD1 4.24Å; Y82-I105 HydrophobicContact CE2-CD1 3.86Å; Y82-I105 WeakPolarHBondContact OH-CD1 3.42Å; Q101-I105 WeakPolarHBondContact O-CD1 3.43Å; Q101-I105 VanDerWaalsContact O-CG1 3.25Å; Q101-I105 WeakPolarHBondContact O-CG1 3.36Å; Q101-I105 PolarHBondContact O-N 3.38Å; V102-I105 WeakPolarHBondContact O-CB 3.38Å; V102-I105 PolarHBondContact O-N 2.94Å; E103-I105 VanDerWaalsContact C-N 3.3Å; E103-I105 PolarHBondContact O-N 2.87Å; I105-L109 HydrophobicContact CG2-CD1 4.11Å; I105-L109 WeakPolarHBondContact O-CB 3.48Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.26Å; I105-L109 PolarHBondContact O-N 3.31Å; I105-L109 VanDerWaalsContact O-N 3.08Å; I105-T118 HydrophobicContact CB-CG2 4.18Å; I105-T118 HydrophobicContact CG1-CG2 4.18Å; I105-T118 HydrophobicContact CG2-CG2 3.75Å; I105-M122 HydrophobicContact CG2-CG 3.95Å; I105-M122 HydrophobicContact CG2-SD 3.58Å; I105-M122 VanDerWaalsContact CG2-SD 3.58Å
106V95.1Very high93.3Very high2 Ų265.7 Ų65.71%0.01233%0.331CS..Hα-helixtrans-63.6-44.2178.8172.20000110.7E71 I74 R75 V78 V102 E103 L109 T110E71-V106 HydrophobicContact CG-CG1 3.93Å; I74-V106 HydrophobicContact CG2-CG1 4.3Å; I74-V106 HydrophobicContact CG2-CG2 4.47Å; R75-V106 HydrophobicContact CB-CG1 4.33Å; R75-V106 HydrophobicContact CB-CG2 4.24Å; R75-V106 HydrophobicContact CG-CG2 4.45Å; V78-V106 HydrophobicContact CB-CG2 4.1Å; V78-V106 HydrophobicContact CG1-CG2 4.22Å; V78-V106 HydrophobicContact CG2-CG2 4.02Å; V102-V106 WeakPolarHBondContact O-CG2 3.43Å; V102-V106 PolarHBondContact O-N 3.45Å; E103-V106 PolarHBondContact O-N 3.2Å; E103-V106 VanDerWaalsContact O-N 3.16Å; V106-L109 PolarHBondContact O-N 3.45Å; V106-T110 VanDerWaalsContact O-CB 3.27Å; V106-T110 WeakPolarHBondContact O-CB 3.36Å; V106-T110 PolarHBondContact O-N 2.61Å; V106-T110 PolarHBondContact O-OG1 3.18Å
107Y94.9Very high93.1Very high146 Ų14665.8 Ų65.857%0.57333%0.331SS*.Hα-helixtrans-61.5-49.2178.6-178.8-93.1000111.5E103 D104 L109 T110 N111E103-Y107 VanDerWaalsContact O-CB 3.29Å; E103-Y107 WeakPolarHBondContact O-CB 3.32Å; E103-Y107 PolarHBondContact O-N 3.44Å; D104-Y107 PolarHBondContact O-N 3.34Å; Y107-L109 PolarHBondContact O-N 3.27Å; Y107-T110 PolarHBondContact O-N 3.32Å; Y107-N111 VanDerWaalsContact CD2-ND2 3.26Å; Y107-N111 WeakPolarHBondContact CD2-ND2 3.43Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.32Å; Y107-N111 PolarHBondContact O-N 3.15Å; Y107-N111 PolarHBondContact O-ND2 3.5Å; Y107-N111 VanDerWaalsContact O-ND2 3.1Å
108N94.1Very high93Very high37 Ų3762.3 Ų62.320%0.19831%0.313CS..Hα-helixtrans-58.7-46.7178.7-74.7-19.4000111.7D104 T110 N112 V113 T118D104-N108 VanDerWaalsContact O-CB 3.3Å; D104-N108 WeakPolarHBondContact O-CB 3.3Å; D104-N108 PolarHBondContact O-N 3.2Å; D104-N108 PolarHBondContact O-ND2 3.37Å; N108-T110 PolarHBondContact O-N 3.15Å; N108-N112 CarbonylContact O-C 3.12Å; N108-N112 WeakPolarHBondContact O-CA 3.44Å; N108-N112 PolarHBondContact O-N 2.94Å; N108-V113 CarbonylContact C-O 3.54Å; N108-V113 WeakPolarHBondContact CB-O 3.36Å; N108-V113 PolarHBondContact O-N 3.05Å; N108-T118 HydrophobicContact CB-CG2 4.33Å
109L92.1Very high92.8Very high26 Ų2665.8 Ų65.814%0.13633%0.328CS..Hα-helixtrans-68.9-33.5178.3-69.8179.1000113.3I74 V78 I105 V106 Y107 V115 T118 K119 M122I74-L109 HydrophobicContact CD1-CB 4.07Å; I74-L109 HydrophobicContact CG2-CB 3.63Å; I74-L109 HydrophobicContact CG2-CD1 3.82Å; I74-L109 HydrophobicContact CG2-CG 4.39Å; V78-L109 HydrophobicContact CG2-CD1 4.22Å; I105-L109 HydrophobicContact CG2-CD1 4.11Å; I105-L109 WeakPolarHBondContact O-CB 3.48Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.26Å; I105-L109 PolarHBondContact O-N 3.31Å; I105-L109 VanDerWaalsContact O-N 3.08Å; V106-L109 PolarHBondContact O-N 3.45Å; Y107-L109 PolarHBondContact O-N 3.27Å; L109-V115 HydrophobicContact CD2-CG1 4.08Å; L109-T118 HydrophobicContact CD1-CG2 4.44Å; L109-T118 HydrophobicContact CD2-CG2 4.11Å; L109-T118 HydrophobicContact CG-CG2 3.94Å; L109-K119 HydrophobicContact CD2-CG 4.33Å; L109-M122 HydrophobicContact CD1-SD 3.68Å
110T92.3Very high92.8Very high18 Ų1864.1 Ų64.111%0.1133%0.328CS..Hα-helixtrans-71-44.4-179.8-59.60000110.9K70 E71 V106 Y107 N108 N112K70-T110 WeakPolarHBondContact CE-O 3.39Å; K70-T110 PolarHBondContact NZ-O 3.05Å; E71-T110 HydrophobicContact CB-CG2 3.99Å; E71-T110 HydrophobicContact CG-CG2 4.41Å; V106-T110 VanDerWaalsContact O-CB 3.27Å; V106-T110 WeakPolarHBondContact O-CB 3.36Å; V106-T110 PolarHBondContact O-N 2.61Å; V106-T110 PolarHBondContact O-OG1 3.18Å; Y107-T110 PolarHBondContact O-N 3.32Å; N108-T110 PolarHBondContact O-N 3.15Å; T110-N112 VanDerWaalsContact C-N 3.32Å
111N90.9Very high92.6Very high80 Ų8064.3 Ų64.343%0.42832%0.323SS..Hα-helixtrans-86.6-1.5-179-64.5-54.9000114Y107 V113Y107-N111 VanDerWaalsContact CD2-ND2 3.26Å; Y107-N111 WeakPolarHBondContact CD2-ND2 3.43Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.32Å; Y107-N111 PolarHBondContact O-N 3.15Å; Y107-N111 PolarHBondContact O-ND2 3.5Å; Y107-N111 VanDerWaalsContact O-ND2 3.1Å; N111-V113 VanDerWaalsContact C-N 3.27Å; N111-V113 HydrophobicContact CB-CG2 4.01Å; N111-V113 PolarHBondContact O-N 3.42Å
112N87.3Confident92.6Very high109 Ų10961 Ų6158%0.58331%0.308SS*.THydrogen-bonded Turntrans59.334.6-174.9-38.8-74.6000113.4K70 N108 T110 V115K70-N112 PolarHBondContact NZ-ND2 2.69Å; K70-N112 PolarHBondContact NZ-OD1 3.37Å; N108-N112 CarbonylContact O-C 3.12Å; N108-N112 WeakPolarHBondContact O-CA 3.44Å; N108-N112 PolarHBondContact O-N 2.94Å; T110-N112 VanDerWaalsContact C-N 3.32Å; N112-V115 VanDerWaalsContact CA-CG2 3.46Å; N112-V115 HydrophobicContact CB-CG2 4.02Å
113V89.3Confident92.5Very high74 Ų7466 Ų6645%0.44833%0.331SS..SBendtrans-91.7127.9173.8-178.90000108.6N108 N111 V115N108-V113 CarbonylContact C-O 3.54Å; N108-V113 WeakPolarHBondContact CB-O 3.36Å; N108-V113 PolarHBondContact O-N 3.05Å; N111-V113 VanDerWaalsContact C-N 3.27Å; N111-V113 HydrophobicContact CB-CG2 4.01Å; N111-V113 PolarHBondContact O-N 3.42Å; V113-V115 VanDerWaalsContact C-N 3.27Å; V113-V115 PolarHBondContact O-N 3.46Å; V113-V115 VanDerWaalsContact O-N 3.13Å
114D88.9Confident92.5Very high91 Ų9167 Ų6749%0.48734%0.335SS..SBendtrans45.246.7176.9-160.315.7000114.8E116 N117 T118D114-E116 PolarHBondContact O-N 3.01Å; D114-N117 WeakPolarHBondContact OD1-CB 3.41Å; D114-N117 VanDerWaalsContact OD2-CB 3.23Å; D114-N117 WeakPolarHBondContact OD2-CB 3.46Å; D114-N117 PolarHBondContact OD2-ND2 3.07Å; D114-T118 WeakPolarHBondContact O-CB 3.44Å; D114-T118 PolarHBondContact O-N 2.92Å; D114-T118 PolarHBondContact O-OG1 3.28Å
115V89.3Confident92.4Very high33 Ų3364.7 Ų64.720%0.232%0.321CS..Hα-helixtrans-61.8-40.9-171.8175.80000112.3L109 N112 V113 K119L109-V115 HydrophobicContact CD2-CG1 4.08Å; N112-V115 VanDerWaalsContact CA-CG2 3.46Å; N112-V115 HydrophobicContact CB-CG2 4.02Å; V113-V115 VanDerWaalsContact C-N 3.27Å; V113-V115 PolarHBondContact O-N 3.46Å; V113-V115 VanDerWaalsContact O-N 3.13Å; V115-K119 HydrophobicContact CG1-CD 3.99Å; V115-K119 HydrophobicContact CG1-CG 4.36Å; V115-K119 WeakPolarHBondContact O-CB 3.42Å; V115-K119 VanDerWaalsContact O-CG 3.23Å; V115-K119 WeakPolarHBondContact O-CG 3.17Å; V115-K119 PolarHBondContact O-N 2.97Å
116E91.4Very high92.4Very high137 Ų13768.9 Ų68.964%0.6434%0.34SS*.Hα-helixtrans-71.7-42-174.6-64.7-58120.100112D114 K119 G120D114-E116 PolarHBondContact O-N 3.01Å; E116-K119 IonicContact OE1-NZ 3.87Å; E116-K119 PolarHBondContact OE1-NZ 3.32Å; E116-G120 PolarHBondContact O-N 3.1Å
117N93.3Very high92.3Very high84 Ų8477.7 Ų77.745%0.44937%0.373SS..Hα-helixtrans-64.8-45.7173.4-174.1-4.3000111.1D114 K119 G120 R121D114-N117 WeakPolarHBondContact OD1-CB 3.41Å; D114-N117 VanDerWaalsContact OD2-CB 3.23Å; D114-N117 WeakPolarHBondContact OD2-CB 3.46Å; D114-N117 PolarHBondContact OD2-ND2 3.07Å; N117-K119 VanDerWaalsContact C-N 3.35Å; N117-K119 PolarHBondContact O-N 3.47Å; N117-G120 WeakPolarHBondContact O-CA 3.28Å; N117-G120 PolarHBondContact O-N 3.2Å; N117-G120 VanDerWaalsContact O-N 3.09Å; N117-R121 WeakPolarHBondContact O-CG 2.98Å; N117-R121 PolarHBondContact O-N 3.3Å
118T92.8Very high92.3Very high5 Ų576.9 Ų76.93%0.03137%0.374CS..Hα-helixtrans-59.6-45.1179.2-57.70000111.3I105 N108 L109 D114 R121 M122I105-T118 HydrophobicContact CB-CG2 4.18Å; I105-T118 HydrophobicContact CG1-CG2 4.18Å; I105-T118 HydrophobicContact CG2-CG2 3.75Å; N108-T118 HydrophobicContact CB-CG2 4.33Å; L109-T118 HydrophobicContact CD1-CG2 4.44Å; L109-T118 HydrophobicContact CD2-CG2 4.11Å; L109-T118 HydrophobicContact CG-CG2 3.94Å; D114-T118 WeakPolarHBondContact O-CB 3.44Å; D114-T118 PolarHBondContact O-N 2.92Å; D114-T118 PolarHBondContact O-OG1 3.28Å; T118-R121 PolarHBondContact O-N 3.42Å; T118-M122 VanDerWaalsContact O-CG 3.31Å; T118-M122 WeakPolarHBondContact O-CG 3.25Å; T118-M122 PolarHBondContact O-N 2.96Å
119K91.9Very high92.2Very high88 Ų8876.2 Ų76.238%0.38337%0.371SS..Hα-helixtrans-61-44.4172.7-74.7172.5-173.6161.30112.1L109 V115 E116 N117 R121 M122 E123L109-K119 HydrophobicContact CD2-CG 4.33Å; V115-K119 HydrophobicContact CG1-CD 3.99Å; V115-K119 HydrophobicContact CG1-CG 4.36Å; V115-K119 WeakPolarHBondContact O-CB 3.42Å; V115-K119 VanDerWaalsContact O-CG 3.23Å; V115-K119 WeakPolarHBondContact O-CG 3.17Å; V115-K119 PolarHBondContact O-N 2.97Å; E116-K119 IonicContact OE1-NZ 3.87Å; E116-K119 PolarHBondContact OE1-NZ 3.32Å; N117-K119 VanDerWaalsContact C-N 3.35Å; N117-K119 PolarHBondContact O-N 3.47Å; K119-R121 VanDerWaalsContact C-N 3.33Å; K119-R121 PolarHBondContact O-N 3.23Å; K119-M122 WeakPolarHBondContact O-CB 3.39Å; K119-M122 PolarHBondContact O-N 3.01Å; K119-M122 VanDerWaalsContact O-N 3.15Å; K119-E123 WeakPolarHBondContact O-CG 3.23Å; K119-E123 PolarHBondContact O-N 3.36Å
120G93.7Very high92.3Very high33 Ų3381.5 Ų81.534%0.3439%0.393SS..Hα-helixtrans-58.1-44.1177.100000112.6E116 N117 E123 Q124E116-G120 PolarHBondContact O-N 3.1Å; N117-G120 WeakPolarHBondContact O-CA 3.28Å; N117-G120 PolarHBondContact O-N 3.2Å; N117-G120 VanDerWaalsContact O-N 3.09Å; G120-E123 PolarHBondContact O-N 3.14Å; G120-Q124 WeakPolarHBondContact O-CB 3.27Å; G120-Q124 PolarHBondContact O-N 2.87Å
121R92.6Very high92.3Very high127 Ų12786.2 Ų86.248%0.47942%0.417SS..Hα-helixtrans-61.3-44.1173.8-70.9179.266.2-174.6-1.8111.8N117 T118 K119 Q124 Y125N117-R121 WeakPolarHBondContact O-CG 2.98Å; N117-R121 PolarHBondContact O-N 3.3Å; T118-R121 PolarHBondContact O-N 3.42Å; K119-R121 VanDerWaalsContact C-N 3.33Å; K119-R121 PolarHBondContact O-N 3.23Å; R121-Q124 PolarHBondContact O-N 3.43Å; R121-Y125 WeakPolarHBondContact O-CB 3.49Å; R121-Y125 PolarHBondContact O-N 3.34Å
122M93.8Very high92.3Very high20 Ų2085 Ų8510%0.09941%0.41CS..Hα-helixtrans-62.1-43.3176.3-69.7-178.365.200112.5V78 I81 Y82 I105 L109 T118 K119 Y125 Q126V78-M122 HydrophobicContact CB-CE 4.4Å; V78-M122 HydrophobicContact CG2-CE 3.73Å; V78-M122 HydrophobicContact CG2-SD 4.2Å; I81-M122 HydrophobicContact CD1-CE 3.62Å; Y82-M122 HydrophobicContact CE2-CG 4.14Å; I105-M122 HydrophobicContact CG2-CG 3.95Å; I105-M122 HydrophobicContact CG2-SD 3.58Å; I105-M122 VanDerWaalsContact CG2-SD 3.58Å; L109-M122 HydrophobicContact CD1-SD 3.68Å; T118-M122 VanDerWaalsContact O-CG 3.31Å; T118-M122 WeakPolarHBondContact O-CG 3.25Å; T118-M122 PolarHBondContact O-N 2.96Å; K119-M122 WeakPolarHBondContact O-CB 3.39Å; K119-M122 PolarHBondContact O-N 3.01Å; K119-M122 VanDerWaalsContact O-N 3.15Å; M122-Y125 PolarHBondContact O-N 3.42Å; M122-Q126 VanDerWaalsContact O-CB 3.31Å; M122-Q126 WeakPolarHBondContact O-CB 3.46Å; M122-Q126 PolarHBondContact O-N 3.44Å
123E94.3Very high92.5Very high114 Ų11480.7 Ų80.753%0.53339%0.387SS..Hα-helixtrans-67.7-38.7178.6-73.5179.4-175.800112.2K119 G120 Q126 R127K119-E123 WeakPolarHBondContact O-CG 3.23Å; K119-E123 PolarHBondContact O-N 3.36Å; G120-E123 PolarHBondContact O-N 3.14Å; E123-Q126 PolarHBondContact O-N 3.49Å; E123-R127 WeakPolarHBondContact O-CG 3.39Å; E123-R127 PolarHBondContact O-N 3.37Å
124Q94.5Very high92.7Very high95 Ų9583.3 Ų83.344%0.44440%0.395SS..Hα-helixtrans-61.5-51.6172.6-179.7173.9-0.800110.8G120 R121 Q126 R127 E128G120-Q124 WeakPolarHBondContact O-CB 3.27Å; G120-Q124 PolarHBondContact O-N 2.87Å; R121-Q124 PolarHBondContact O-N 3.43Å; Q124-Q126 VanDerWaalsContact C-N 3.27Å; Q124-Q126 PolarHBondContact O-N 3.49Å; Q124-R127 PolarHBondContact O-N 3.17Å; Q124-R127 VanDerWaalsContact O-N 3.09Å; Q124-E128 HydrophobicContact CG-CG 4.46Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.46Å; Q124-E128 PolarHBondContact NE2-OE1 3.02Å; Q124-E128 WeakPolarHBondContact O-CG 3.43Å; Q124-E128 PolarHBondContact O-N 2.97Å
125Y93.7Very high92.9Very high34 Ų3487.2 Ų87.213%0.13340%0.402CS..Hα-helixtrans-57.5-42.3177.9-179.3-90.7000111.8I81 Y82 K84 R121 M122 R127 E128 N129 I133I81-Y125 HydrophobicContact CG2-CD1 3.77Å; I81-Y125 HydrophobicContact CG2-CE1 4.21Å; Y82-Y125 HydrophobicContact CD1-CD1 4.19Å; Y82-Y125 AromaticContact CD1-CE1 3.77Å; Y82-Y125 HydrophobicContact CD1-CE1 3.77Å; Y82-Y125 HydrophobicContact CD1-CE2 4.33Å; Y82-Y125 AromaticContact CD1-CZ 3.83Å; Y82-Y125 AromaticContact CE1-CD1 3.8Å; Y82-Y125 HydrophobicContact CE1-CD1 3.8Å; Y82-Y125 AromaticContact CE1-CD2 3.92Å; Y82-Y125 HydrophobicContact CE1-CD2 3.92Å; Y82-Y125 AromaticContact CE1-CE1 3.8Å; Y82-Y125 HydrophobicContact CE1-CE1 3.8Å; Y82-Y125 AromaticContact CE1-CE2 3.92Å; Y82-Y125 HydrophobicContact CE1-CE2 3.92Å; Y82-Y125 AromaticContact CE1-CG 3.85Å; Y82-Y125 HydrophobicContact CE1-CG 3.85Å; Y82-Y125 AromaticContact CE1-CZ 3.85Å; Y82-Y125 HydrophobicContact CE2-CD1 4.17Å; Y82-Y125 HydrophobicContact CG-CE1 4.16Å; Y82-Y125 AromaticContact CZ-CD1 3.8Å; Y82-Y125 AromaticContact CZ-CG 3.82Å; K84-Y125 WeakPolarHBondContact CD-OH 3.42Å; K84-Y125 WeakPolarHBondContact CE-OH 3.25Å; R121-Y125 WeakPolarHBondContact O-CB 3.49Å; R121-Y125 PolarHBondContact O-N 3.34Å; M122-Y125 PolarHBondContact O-N 3.42Å; Y125-R127 VanDerWaalsContact C-N 3.35Å; Y125-R127 PolarHBondContact O-N 3.25Å; Y125-E128 PolarHBondContact O-N 3.25Å; Y125-N129 WeakPolarHBondContact CD2-ND2 3.27Å; Y125-N129 HydrophobicContact CE1-CB 4.24Å; Y125-N129 WeakPolarHBondContact CE2-ND2 3.35Å; Y125-N129 WeakPolarHBondContact O-CB 3.35Å; Y125-N129 PolarHBondContact O-N 2.93Å; Y125-N129 PolarHBondContact O-ND2 2.86Å; Y125-N129 VanDerWaalsContact O-ND2 3.09Å; Y125-I133 HydrophobicContact CE1-CD1 4.33Å
126Q93.6Very high93.1Very high93 Ų9386.7 Ų86.744%0.43540%0.398SS..Hα-helixtrans-62.7-39177.5-173.1179.520.900112.5I81 M122 E123 Q124 K130 I133I81-Q126 HydrophobicContact CG2-CB 4.07Å; I81-Q126 HydrophobicContact CG2-CG 4.47Å; M122-Q126 VanDerWaalsContact O-CB 3.31Å; M122-Q126 WeakPolarHBondContact O-CB 3.46Å; M122-Q126 PolarHBondContact O-N 3.44Å; E123-Q126 PolarHBondContact O-N 3.49Å; Q124-Q126 VanDerWaalsContact C-N 3.27Å; Q124-Q126 PolarHBondContact O-N 3.49Å; Q126-K130 WeakPolarHBondContact O-CA 3.49Å; Q126-K130 WeakPolarHBondContact O-CB 3.36Å; Q126-K130 PolarHBondContact O-N 2.91Å; Q126-I133 HydrophobicContact CG-CD1 4.44Å
127R94.4Very high93.1Very high188 Ų18885.3 Ų85.371%0.70939%0.39SS*.Hα-helixtrans-68.5-44.3176.6-75.7-175.2-66.6164.3-0.5111.8E123 Q124 Y125E123-R127 WeakPolarHBondContact O-CG 3.39Å; E123-R127 PolarHBondContact O-N 3.37Å; Q124-R127 PolarHBondContact O-N 3.17Å; Q124-R127 VanDerWaalsContact O-N 3.09Å; Y125-R127 VanDerWaalsContact C-N 3.35Å; Y125-R127 PolarHBondContact O-N 3.25Å
128E94Very high93.1Very high128 Ų12883.5 Ų83.560%0.59839%0.387SS*.Hα-helixtrans-70.3-36-178.1-69.6172-173.500112.5Q124 Y125Q124-E128 HydrophobicContact CG-CG 4.46Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.46Å; Q124-E128 PolarHBondContact NE2-OE1 3.02Å; Q124-E128 WeakPolarHBondContact O-CG 3.43Å; Q124-E128 PolarHBondContact O-N 2.97Å; Y125-E128 PolarHBondContact O-N 3.25Å
129N92.4Very high93.1Very high24 Ų2487.5 Ų87.513%0.12840%0.404CS..THydrogen-bonded Turntrans-105.215.8-174.4-65.6-91.2000113.6Y125 D131 I132 I133Y125-N129 WeakPolarHBondContact CD2-ND2 3.27Å; Y125-N129 HydrophobicContact CE1-CB 4.24Å; Y125-N129 WeakPolarHBondContact CE2-ND2 3.35Å; Y125-N129 WeakPolarHBondContact O-CB 3.35Å; Y125-N129 PolarHBondContact O-N 2.93Å; Y125-N129 PolarHBondContact O-ND2 2.86Å; Y125-N129 VanDerWaalsContact O-ND2 3.09Å; N129-D131 VanDerWaalsContact C-N 3.3Å; N129-D131 PolarHBondContact O-N 3.34Å; N129-D131 VanDerWaalsContact O-N 3.16Å; N129-I132 PolarHBondContact O-N 3.39Å; N129-I132 VanDerWaalsContact O-N 3.09Å; N129-I133 HydrophobicContact CB-CD1 4.07Å; N129-I133 HydrophobicContact CB-CG1 4.21Å; N129-I133 VanDerWaalsContact O-CG1 3.25Å; N129-I133 WeakPolarHBondContact O-CG1 3.49Å; N129-I133 PolarHBondContact O-N 3Å
130K93.6Very high93.1Very high136 Ų13688 Ų8859%0.59141%0.41SS*.Hα-helixtrans-50.2-46.1-172.2-172.2-178.8176.2-173.80113.7Q126 I133 Q134Q126-K130 WeakPolarHBondContact O-CA 3.49Å; Q126-K130 WeakPolarHBondContact O-CB 3.36Å; Q126-K130 PolarHBondContact O-N 2.91Å; K130-I133 PolarHBondContact O-N 2.92Å; K130-Q134 WeakPolarHBondContact O-CB 3.27Å; K130-Q134 PolarHBondContact O-N 2.98Å
131D91.8Very high93Very high117 Ų11789.4 Ų89.463%0.62641%0.413SS*.Hα-helixtrans-70.3-38.8-177.3-62.3-29.8000112.4N129 Q134 R135N129-D131 VanDerWaalsContact C-N 3.3Å; N129-D131 PolarHBondContact O-N 3.34Å; N129-D131 VanDerWaalsContact O-N 3.16Å; D131-Q134 PolarHBondContact O-N 3.45Å; D131-R135 WeakPolarHBondContact O-CB 3.46Å; D131-R135 PolarHBondContact O-N 2.98Å
132I91.3Very high93.1Very high54 Ų5491.3 Ų91.328%0.27742%0.42SS..Hα-helixtrans-64.4-46.7175.9-62.2172.4000109.2N129 Q134 R135 N136N129-I132 PolarHBondContact O-N 3.39Å; N129-I132 VanDerWaalsContact O-N 3.09Å; I132-Q134 VanDerWaalsContact C-N 3.31Å; I132-Q134 PolarHBondContact O-N 2.91Å; I132-R135 PolarHBondContact O-N 2.88Å; I132-N136 WeakPolarHBondContact O-CB 3.39Å; I132-N136 PolarHBondContact O-N 2.91Å
133I92.8Very high93.1Very high20 Ų2093.6 Ų93.610%0.10343%0.43CS..Hα-helixtrans-59-45.9178.8-65.7168.5000110.3I81 N83 Y125 Q126 N129 K130 N136 K137I81-I133 HydrophobicContact CG2-CD1 4.07Å; I81-I133 WeakPolarHBondContact O-CD1 3.35Å; I81-I133 VanDerWaalsContact O-CG1 3.29Å; I81-I133 WeakPolarHBondContact O-CG1 3.38Å; N83-I133 PolarHBondContact ND2-O 3.4Å; N83-I133 WeakPolarHBondContact OD1-CA 3.34Å; Y125-I133 HydrophobicContact CE1-CD1 4.33Å; Q126-I133 HydrophobicContact CG-CD1 4.44Å; N129-I133 HydrophobicContact CB-CD1 4.07Å; N129-I133 HydrophobicContact CB-CG1 4.21Å; N129-I133 VanDerWaalsContact O-CG1 3.25Å; N129-I133 WeakPolarHBondContact O-CG1 3.49Å; N129-I133 PolarHBondContact O-N 3Å; K130-I133 PolarHBondContact O-N 2.92Å; I133-N136 PolarHBondContact O-N 3.42Å; I133-K137 VanDerWaalsContact O-CB 3.27Å; I133-K137 WeakPolarHBondContact O-CB 3.4Å; I133-K137 PolarHBondContact O-N 2.99Å
134Q93.5Very high93Very high129 Ų12992.4 Ų92.460%0.60343%0.425SS*.Hα-helixtrans-64.9-41.5179.9-173.6170.6-2.300112.2K130 D131 I132 K137 A138K130-Q134 WeakPolarHBondContact O-CB 3.27Å; K130-Q134 PolarHBondContact O-N 2.98Å; D131-Q134 PolarHBondContact O-N 3.45Å; I132-Q134 VanDerWaalsContact C-N 3.31Å; I132-Q134 PolarHBondContact O-N 2.91Å; Q134-K137 PolarHBondContact O-N 3.3Å; Q134-A138 PolarHBondContact O-N 2.95Å
135R92.8Very high92.9Very high172 Ų17293.4 Ų93.465%0.64943%0.429SS*.Hα-helixtrans-63.6-47.7176.5-171.7-175.6-61.5141.12.6111.8D131 I132 K137 A138 K139D131-R135 WeakPolarHBondContact O-CB 3.46Å; D131-R135 PolarHBondContact O-N 2.98Å; I132-R135 PolarHBondContact O-N 2.88Å; R135-K137 VanDerWaalsContact C-N 3.31Å; R135-K137 PolarHBondContact O-N 3.25Å; R135-A138 PolarHBondContact O-N 3.48Å; R135-K139 PolarHBondContact O-N 3.32Å
136N92.4Very high93Very high22 Ų2297.4 Ų97.412%0.11845%0.449CS..Hα-helixtrans-65.5-36.4179.7-75.35.6000111.5N83 I132 I133 K139 L140N83-N136 HydrophobicContact CB-CB 4.44Å; N83-N136 VanDerWaalsContact ND2-CB 3.32Å; N83-N136 WeakPolarHBondContact ND2-CB 3.4Å; N83-N136 PolarHBondContact O-ND2 3.45Å; I132-N136 WeakPolarHBondContact O-CB 3.39Å; I132-N136 PolarHBondContact O-N 2.91Å; I133-N136 PolarHBondContact O-N 3.42Å; N136-K139 PolarHBondContact O-N 3.23Å; N136-L140 PolarHBondContact O-N 2.97Å
137K92.9Very high93Very high108 Ų10897.2 Ų97.247%0.4745%0.451SS..Hα-helixtrans-63-46173-172.8-174.9176.9-162.10111.8I133 Q134 R135 K139 L140 T141I133-K137 VanDerWaalsContact O-CB 3.27Å; I133-K137 WeakPolarHBondContact O-CB 3.4Å; I133-K137 PolarHBondContact O-N 2.99Å; Q134-K137 PolarHBondContact O-N 3.3Å; R135-K137 VanDerWaalsContact C-N 3.31Å; R135-K137 PolarHBondContact O-N 3.25Å; K137-K139 VanDerWaalsContact C-N 3.31Å; K137-K139 PolarHBondContact O-N 3.13Å; K137-L140 PolarHBondContact O-N 3.01Å; K137-T141 PolarHBondContact O-N 3.18Å; K137-T141 PolarHBondContact O-OG1 3.32Å
138A93.1Very high92.9Very high47 Ų4793.1 Ų93.139%0.38844%0.44SS..Hα-helixtrans-62.7-38.7177.700000112Q134 R135 T141 R142Q134-A138 PolarHBondContact O-N 2.95Å; R135-A138 PolarHBondContact O-N 3.48Å; A138-T141 PolarHBondContact O-N 2.73Å; A138-R142 WeakPolarHBondContact O-CG 3.45Å; A138-R142 PolarHBondContact O-N 2.9Å; A138-R142 VanDerWaalsContact O-N 3.13Å
139K92.3Very high92.9Very high89 Ų8993 Ų9339%0.38744%0.439SS..Hα-helixtrans-61.8-48.3174.2-170.6-179.7-178.8-1760111.6R135 N136 K137 T141 R142 E143R135-K139 PolarHBondContact O-N 3.32Å; N136-K139 PolarHBondContact O-N 3.23Å; K137-K139 VanDerWaalsContact C-N 3.31Å; K137-K139 PolarHBondContact O-N 3.13Å; K139-T141 VanDerWaalsContact C-N 3.33Å; K139-T141 PolarHBondContact O-N 3.11Å; K139-R142 PolarHBondContact O-N 2.84Å; K139-E143 WeakPolarHBondContact CE-OE1 3.32Å; K139-E143 WeakPolarHBondContact O-CG 3.35Å; K139-E143 PolarHBondContact O-N 3.38Å
140L91.1Very high93Very high97 Ų9797.1 Ų97.151%0.50846%0.461SS..Hα-helixtrans-60.4-41177.7-178.467.7000112.2N136 K137 E143 Q144N136-L140 PolarHBondContact O-N 2.97Å; K137-L140 PolarHBondContact O-N 3.01Å; L140-E143 PolarHBondContact O-N 3.08Å; L140-Q144 WeakPolarHBondContact O-CB 3.29Å; L140-Q144 PolarHBondContact O-N 3.32Å
141T93.3Very high93.1Very high63 Ų6394.5 Ų94.539%0.38745%0.453SS..Hα-helixtrans-62.6-42.6177.2-61.30000111.9K137 A138 K139 Q144 E145K137-T141 PolarHBondContact O-N 3.18Å; K137-T141 PolarHBondContact O-OG1 3.32Å; A138-T141 PolarHBondContact O-N 2.73Å; K139-T141 VanDerWaalsContact C-N 3.33Å; K139-T141 PolarHBondContact O-N 3.11Å; T141-Q144 PolarHBondContact O-N 3.4Å; T141-E145 WeakPolarHBondContact O-CG 3.46Å; T141-E145 PolarHBondContact O-N 3.09Å
142R94.3Very high93.2Very high167 Ų16794.1 Ų94.163%0.6345%0.45SS*.Hα-helixtrans-64.2-46.6176.3-69.7175.2-175.6179.6-0.5112.4A138 K139 Q144 E145 E146A138-R142 WeakPolarHBondContact O-CG 3.45Å; A138-R142 PolarHBondContact O-N 2.9Å; A138-R142 VanDerWaalsContact O-N 3.13Å; K139-R142 PolarHBondContact O-N 2.84Å; R142-Q144 PolarHBondContact O-N 3.12Å; R142-E145 PolarHBondContact O-N 3Å; R142-E146 WeakPolarHBondContact O-CG 3.42Å; R142-E146 PolarHBondContact O-N 3.16Å
143E92.4Very high93.4Very high68 Ų6896 Ų9632%0.31846%0.46SS..Hα-helixtrans-59.2-36.6176.9-70.9172178.900111.4R85 K139 L140 L147R85-E143 IonicContact CZ-OE1 2.94Å; R85-E143 IonicContact CZ-OE2 3.72Å; R85-E143 VanDerWaalsContact CZ-OE2 3.29Å; R85-E143 IonicContact NH1-OE1 3.01Å; R85-E143 PolarHBondContact NH1-OE1 3.44Å; R85-E143 IonicContact NH1-OE2 3.05Å; R85-E143 PolarHBondContact NH1-OE2 2.95Å; R85-E143 IonicContact NH2-OE1 3.29Å; R85-E143 IonicContact NH2-OE2 3.51Å; R85-E143 PolarHBondContact NH2-OE2 3Å; K139-E143 WeakPolarHBondContact CE-OE1 3.32Å; K139-E143 WeakPolarHBondContact O-CG 3.35Å; K139-E143 PolarHBondContact O-N 3.38Å; L140-E143 PolarHBondContact O-N 3.08Å; E143-L147 WeakPolarHBondContact O-CB 3.08Å; E143-L147 PolarHBondContact O-N 3.21Å; E143-L147 VanDerWaalsContact O-N 3.1Å
144Q91.9Very high93.4Very high90 Ų90100.6 Ų100.642%0.42148%0.481SS..Hα-helixtrans-69.6-44.1176-176.26431.400112.3L140 T141 R142 L147 E148L140-Q144 WeakPolarHBondContact O-CB 3.29Å; L140-Q144 PolarHBondContact O-N 3.32Å; T141-Q144 PolarHBondContact O-N 3.4Å; R142-Q144 PolarHBondContact O-N 3.12Å; Q144-L147 PolarHBondContact O-N 2.9Å; Q144-E148 PolarHBondContact NE2-OE1 3.19Å; Q144-E148 WeakPolarHBondContact O-CG 3.48Å; Q144-E148 PolarHBondContact O-N 2.91Å
145E93.9Very high93.4Very high115 Ų115100.5 Ų100.554%0.53748%0.481SS..Hα-helixtrans-61.3-44.4176.1-74.1169.3-179.300111.5T141 R142 L147 E148 E149T141-E145 WeakPolarHBondContact O-CG 3.46Å; T141-E145 PolarHBondContact O-N 3.09Å; R142-E145 PolarHBondContact O-N 3Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.45Å; E145-E148 PolarHBondContact O-N 3.46Å; E145-E149 PolarHBondContact O-N 3.44Å
146E94.6Very high93.5Very high119 Ų11998 Ų9856%0.55648%0.477SS*.Hα-helixtrans-60.8-42.5175.7-72.8171.6-169.100111.7R142 E149 L150R142-E146 WeakPolarHBondContact O-CG 3.42Å; R142-E146 PolarHBondContact O-N 3.16Å; E146-E149 PolarHBondContact O-N 2.92Å; E146-L150 WeakPolarHBondContact O-CG 3.29Å; E146-L150 PolarHBondContact O-N 3.14Å
147L93.5Very high93.5Very high89 Ų89100.5 Ų100.547%0.46650%0.495SS..Hα-helixtrans-64.5-42176.6-179.562.5000111.9E143 Q144 E145 L150 L151E143-L147 WeakPolarHBondContact O-CB 3.08Å; E143-L147 PolarHBondContact O-N 3.21Å; E143-L147 VanDerWaalsContact O-N 3.1Å; Q144-L147 PolarHBondContact O-N 2.9Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.45Å; L147-L150 PolarHBondContact O-N 3.25Å; L147-L151 HydrophobicContact CG-CD1 4.36Å; L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.39Å
148E92.7Very high93.4Very high101 Ų10198.9 Ų98.947%0.47249%0.492SS..Hα-helixtrans-63.4-41.3176.9-75.2172.7-164.200111.7Q144 E145 L151 L152Q144-E148 PolarHBondContact NE2-OE1 3.19Å; Q144-E148 WeakPolarHBondContact O-CG 3.48Å; Q144-E148 PolarHBondContact O-N 2.91Å; E145-E148 PolarHBondContact O-N 3.46Å; E148-L151 PolarHBondContact O-N 3.44Å; E148-L152 WeakPolarHBondContact O-CG 3.3Å; E148-L152 PolarHBondContact O-N 3.47Å
149E94.1Very high93.4Very high125 Ų125102.4 Ų102.458%0.58450%0.5SS*.Hα-helixtrans-60.7-45.4174.6-174.2178179.700111.9E145 E146 L151 L152 L153E145-E149 PolarHBondContact O-N 3.44Å; E146-E149 PolarHBondContact O-N 2.92Å; E149-L151 PolarHBondContact O-N 2.99Å; E149-L152 PolarHBondContact O-N 2.98Å; E149-L153 HydrophobicContact CG-CD1 4.43Å; E149-L153 WeakPolarHBondContact O-CG 3.26Å; E149-L153 PolarHBondContact O-N 2.85Å
150L95Very high93.5Very high112 Ų112103.2 Ų103.259%0.58651%0.506SS*.Hα-helixtrans-60.8-43.2177.3-72171.4000112.2E146 L147 L152 L153 E154E146-L150 WeakPolarHBondContact O-CG 3.29Å; E146-L150 PolarHBondContact O-N 3.14Å; L147-L150 PolarHBondContact O-N 3.25Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 2.99Å; L150-L153 PolarHBondContact O-N 3.1Å; L150-E154 PolarHBondContact O-N 3.28Å
151L94.7Very high93.5Very high80 Ų80105.5 Ų105.542%0.41951%0.507SS..Hα-helixtrans-64.1-38.6177-71172000111.9L147 E148 E149 E154 Q155L147-L151 HydrophobicContact CG-CD1 4.36Å; L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.39Å; E148-L151 PolarHBondContact O-N 3.44Å; E149-L151 PolarHBondContact O-N 2.99Å; L151-E154 PolarHBondContact O-N 3Å; L151-Q155 WeakPolarHBondContact O-CB 3.31Å; L151-Q155 VanDerWaalsContact O-CG 3.3Å; L151-Q155 WeakPolarHBondContact O-CG 3.45Å; L151-Q155 PolarHBondContact O-N 3.48Å
152L94.9Very high93.4Very high110 Ų110111.9 Ų111.958%0.57653%0.525SS*.Hα-helixtrans-64.7-43.5176.5-74.4172.3000111.9E148 E149 L150 E154 Q155 Q156E148-L152 WeakPolarHBondContact O-CG 3.3Å; E148-L152 PolarHBondContact O-N 3.47Å; E149-L152 PolarHBondContact O-N 2.98Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 2.99Å; L152-E154 VanDerWaalsContact C-N 3.33Å; L152-E154 PolarHBondContact O-N 2.79Å; L152-Q155 PolarHBondContact O-N 2.97Å; L152-Q156 WeakPolarHBondContact O-CB 3.31Å; L152-Q156 PolarHBondContact O-N 3.31Å
153L95.1Very high93.5Very high92 Ų92108.2 Ų108.248%0.48252%0.517SS..Hα-helixtrans-62.3-41.5176.1-70.2172.3000111.8E149 L150 Q156 S157E149-L153 HydrophobicContact CG-CD1 4.43Å; E149-L153 WeakPolarHBondContact O-CG 3.26Å; E149-L153 PolarHBondContact O-N 2.85Å; L150-L153 PolarHBondContact O-N 3.1Å; L153-Q156 PolarHBondContact O-N 3.11Å; L153-S157 WeakPolarHBondContact O-CB 3.28Å; L153-S157 PolarHBondContact O-N 3.2Å
154E92.5Very high93.4Very high118 Ų118109.8 Ų109.855%0.55152%0.524SS*.Hα-helixtrans-63.3-44.8175.5-175.3178.8-174.900111.6L150 L151 L152 S157 N158L150-E154 PolarHBondContact O-N 3.28Å; L151-E154 PolarHBondContact O-N 3Å; L152-E154 VanDerWaalsContact C-N 3.33Å; L152-E154 PolarHBondContact O-N 2.79Å; E154-S157 PolarHBondContact O-N 2.73Å; E154-N158 WeakPolarHBondContact O-CB 3.45Å; E154-N158 PolarHBondContact O-N 3.19Å; E154-N158 PolarHBondContact O-ND2 3.01Å
155Q93.7Very high93.3Very high126 Ų126109.9 Ų109.959%0.58953%0.531SS*.Hα-helixtrans-60.9-46.1176.5-75.1178.417.400111.8L151 L152 S157 N158 E159L151-Q155 WeakPolarHBondContact O-CB 3.31Å; L151-Q155 VanDerWaalsContact O-CG 3.3Å; L151-Q155 WeakPolarHBondContact O-CG 3.45Å; L151-Q155 PolarHBondContact O-N 3.48Å; L152-Q155 PolarHBondContact O-N 2.97Å; Q155-S157 PolarHBondContact O-N 3.01Å; Q155-N158 PolarHBondContact O-N 3.26Å; Q155-E159 WeakPolarHBondContact O-CB 3.46Å; Q155-E159 PolarHBondContact O-N 3.38Å
156Q95Very high93.4Very high121 Ų121109.6 Ų109.657%0.56553%0.532SS*.Hα-helixtrans-62.6-43.9178.6-173.3-17911.300111.7L152 L153 N158 E159 Q160L152-Q156 WeakPolarHBondContact O-CB 3.31Å; L152-Q156 PolarHBondContact O-N 3.31Å; L153-Q156 PolarHBondContact O-N 3.11Å; Q156-N158 VanDerWaalsContact C-N 3.33Å; Q156-N158 PolarHBondContact O-N 3.34Å; Q156-E159 PolarHBondContact O-N 3.09Å; Q156-Q160 WeakPolarHBondContact O-CB 3.42Å; Q156-Q160 PolarHBondContact O-N 2.79Å
157S92Very high93.3Very high73 Ų73109.2 Ų109.251%0.5153%0.531SS..Hα-helixtrans-61.1-43.5176.6-174.90000111.6L153 E154 Q155 Q160 R161L153-S157 WeakPolarHBondContact O-CB 3.28Å; L153-S157 PolarHBondContact O-N 3.2Å; E154-S157 PolarHBondContact O-N 2.73Å; Q155-S157 PolarHBondContact O-N 3.01Å; S157-Q160 PolarHBondContact O-N 2.81Å; S157-R161 WeakPolarHBondContact O-CB 3.43Å; S157-R161 PolarHBondContact O-N 3.47Å
158N91.1Very high93.1Very high74 Ų74108.1 Ų108.140%0.39652%0.523SS..Hα-helixtrans-65.2-41.1177-77.9-33000112.4E154 Q155 Q156 R161 R162E154-N158 WeakPolarHBondContact O-CB 3.45Å; E154-N158 PolarHBondContact O-N 3.19Å; E154-N158 PolarHBondContact O-ND2 3.01Å; Q155-N158 PolarHBondContact O-N 3.26Å; Q156-N158 VanDerWaalsContact C-N 3.33Å; Q156-N158 PolarHBondContact O-N 3.34Å; N158-R161 PolarHBondContact O-N 2.93Å; N158-R162 WeakPolarHBondContact O-CG 3.47Å; N158-R162 PolarHBondContact O-N 3.38Å
159E93.9Very high92.8Very high122 Ų122109.2 Ų109.257%0.5753%0.528SS*.Hα-helixtrans-64.2-47.2175.6-176.6174.1-17000111.3Q155 Q156 R161 R162 L163Q155-E159 WeakPolarHBondContact O-CB 3.46Å; Q155-E159 PolarHBondContact O-N 3.38Å; Q156-E159 PolarHBondContact O-N 3.09Å; E159-R161 VanDerWaalsContact C-N 3.3Å; E159-R161 PolarHBondContact O-N 3.15Å; E159-R162 WeakPolarHBondContact O-CB 3.31Å; E159-R162 PolarHBondContact O-N 3.24Å; E159-L163 HydrophobicContact CG-CD1 4.29Å; E159-L163 WeakPolarHBondContact O-CG 3.46Å; E159-L163 PolarHBondContact O-N 2.91Å
160Q93Very high92.8Very high106 Ų106108.6 Ų108.650%0.49553%0.525SS..Hα-helixtrans-57.7-45176.9-175.6176.3-11.700111.1Q156 S157 R162 L163 E164Q156-Q160 WeakPolarHBondContact O-CB 3.42Å; Q156-Q160 PolarHBondContact O-N 2.79Å; S157-Q160 PolarHBondContact O-N 2.81Å; Q160-R162 VanDerWaalsContact C-N 3.31Å; Q160-R162 PolarHBondContact O-N 3.21Å; Q160-L163 PolarHBondContact O-N 3.39Å; Q160-E164 HydrophobicContact CG-CG 4.49Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.17Å; Q160-E164 PolarHBondContact NE2-OE1 3.42Å; Q160-E164 WeakPolarHBondContact O-CG 3.23Å; Q160-E164 PolarHBondContact O-N 2.98Å
161R91.6Very high92.5Very high144 Ų144110.4 Ų110.454%0.54352%0.524SS..Hα-helixtrans-60.2-39.5176-171.2177.1-175.4171.63.6112.4S157 N158 E159 V165S157-R161 WeakPolarHBondContact O-CB 3.43Å; S157-R161 PolarHBondContact O-N 3.47Å; N158-R161 PolarHBondContact O-N 2.93Å; E159-R161 VanDerWaalsContact C-N 3.3Å; E159-R161 PolarHBondContact O-N 3.15Å; R161-V165 VanDerWaalsContact O-CG2 3.32Å; R161-V165 WeakPolarHBondContact O-CG2 3.46Å; R161-V165 PolarHBondContact O-N 3.39Å; R161-V165 VanDerWaalsContact O-N 3.12Å
162R92.3Very high92.1Very high198 Ų198108.8 Ų108.875%0.74751%0.514SS*.Hα-helixtrans-64.9-43.2175.5-73.4174.9-179.6-173.61.6111.6N158 E159 Q160 V165 L166N158-R162 WeakPolarHBondContact O-CG 3.47Å; N158-R162 PolarHBondContact O-N 3.38Å; E159-R162 WeakPolarHBondContact O-CB 3.31Å; E159-R162 PolarHBondContact O-N 3.24Å; Q160-R162 VanDerWaalsContact C-N 3.31Å; Q160-R162 PolarHBondContact O-N 3.21Å; R162-V165 PolarHBondContact O-N 2.77Å; R162-L166 PolarHBondContact O-N 3.16Å
163L95Very high91.9Very high89 Ų89107.8 Ų107.847%0.46651%0.509SS..Hα-helixtrans-64.1-41.8177.7-69.7173.6000111.8E159 Q160 L166 Q167E159-L163 HydrophobicContact CG-CD1 4.29Å; E159-L163 WeakPolarHBondContact O-CG 3.46Å; E159-L163 PolarHBondContact O-N 2.91Å; Q160-L163 PolarHBondContact O-N 3.39Å; L163-L166 PolarHBondContact O-N 3.37Å; L163-Q167 WeakPolarHBondContact O-CB 3.46Å; L163-Q167 WeakPolarHBondContact O-CG 3.27Å; L163-Q167 PolarHBondContact O-N 2.71Å
164E91.4Very high91.8Very high102 Ų102107.9 Ų107.948%0.47751%0.507SS..Hα-helixtrans-61.6-43.8176.7-74.5172.6-171.900111.8Q160 Q167 E168Q160-E164 HydrophobicContact CG-CG 4.49Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.17Å; Q160-E164 PolarHBondContact NE2-OE1 3.42Å; Q160-E164 WeakPolarHBondContact O-CG 3.23Å; Q160-E164 PolarHBondContact O-N 2.98Å; E164-Q167 PolarHBondContact O-N 3.46Å; E164-E168 WeakPolarHBondContact O-CB 3.36Å; E164-E168 PolarHBondContact O-N 3.27Å
165V89.9Confident91.6Very high92 Ų92105 Ų10556%0.55850%0.503SS*.Hα-helixtrans-61.6-45.5175.31710000111.1R161 R162 E168 E169R161-V165 VanDerWaalsContact O-CG2 3.32Å; R161-V165 WeakPolarHBondContact O-CG2 3.46Å; R161-V165 PolarHBondContact O-N 3.39Å; R161-V165 VanDerWaalsContact O-N 3.12Å; R162-V165 PolarHBondContact O-N 2.77Å; V165-E168 PolarHBondContact O-N 3.08Å; V165-E169 WeakPolarHBondContact O-CB 3.38Å; V165-E169 PolarHBondContact O-N 3.44Å
166L94.4Very high91.3Very high108 Ų108105.7 Ų105.757%0.56551%0.505SS*.Hα-helixtrans-64-42.9179.7-171.372.1000111.9R162 L163 E168 E169 Q170R162-L166 PolarHBondContact O-N 3.16Å; L163-L166 PolarHBondContact O-N 3.37Å; L166-E168 VanDerWaalsContact C-N 3.34Å; L166-E169 PolarHBondContact O-N 2.9Å; L166-Q170 WeakPolarHBondContact O-CB 3.39Å; L166-Q170 PolarHBondContact O-N 3.22Å
167Q94.4Very high91.1Very high112 Ų112107.5 Ų107.552%0.52351%0.506SS..Hα-helixtrans-62.7-42.6175.7-77.3-176.4300111.3L163 E164 Q170 R171L163-Q167 WeakPolarHBondContact O-CB 3.46Å; L163-Q167 WeakPolarHBondContact O-CG 3.27Å; L163-Q167 PolarHBondContact O-N 2.71Å; E164-Q167 PolarHBondContact O-N 3.46Å; Q167-Q170 PolarHBondContact O-N 3.25Å; Q167-R171 WeakPolarHBondContact O-CG 3.23Å; Q167-R171 PolarHBondContact O-N 3.19Å
168E87.5Confident91.1Very high66 Ų66110.5 Ų110.531%0.30851%0.51SS..Hα-helixtrans-64.4-42.3178-178.951.9-15000112E164 V165 L166 Q170 R171 Q172E164-E168 WeakPolarHBondContact O-CB 3.36Å; E164-E168 PolarHBondContact O-N 3.27Å; V165-E168 PolarHBondContact O-N 3.08Å; L166-E168 VanDerWaalsContact C-N 3.34Å; E168-Q170 VanDerWaalsContact C-N 3.34Å; E168-Q170 PolarHBondContact O-N 3.08Å; E168-R171 PolarHBondContact O-N 3.22Å; E168-R171 IonicContact OE2-CZ 3.25Å; E168-R171 VanDerWaalsContact OE2-CZ 3.25Å; E168-R171 IonicContact OE2-NE 3.82Å; E168-R171 PolarHBondContact OE2-NE 2.71Å; E168-R171 IonicContact OE2-NH2 2.68Å; E168-R171 PolarHBondContact OE2-NH2 2.9Å; E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 2.79Å; E168-Q172 PolarHBondContact OE1-NE2 3.36Å
169E88.1Confident91Very high123 Ų123109.3 Ų109.358%0.57551%0.507SS*.Hα-helixtrans-62.6-41174.6-165.6176.4-157.900111.7V165 L166 Q172 L173V165-E169 WeakPolarHBondContact O-CB 3.38Å; V165-E169 PolarHBondContact O-N 3.44Å; L166-E169 PolarHBondContact O-N 2.9Å; E169-Q172 PolarHBondContact O-N 3.08Å; E169-L173 WeakPolarHBondContact O-CB 3.1Å; E169-L173 PolarHBondContact O-N 3.46Å
170Q93.1Very high90.8Very high113 Ų113110.2 Ų110.253%0.52851%0.51SS..Hα-helixtrans-64-42.2174.9-168.7-17919.800112L166 Q167 E168 L173 Q174L166-Q170 WeakPolarHBondContact O-CB 3.39Å; L166-Q170 PolarHBondContact O-N 3.22Å; Q167-Q170 PolarHBondContact O-N 3.25Å; E168-Q170 VanDerWaalsContact C-N 3.34Å; E168-Q170 PolarHBondContact O-N 3.08Å; Q170-L173 PolarHBondContact O-N 3.38Å; Q170-Q174 WeakPolarHBondContact O-CG 3.44Å; Q170-Q174 PolarHBondContact O-N 3.23Å
171R89.4Confident90.7Very high149 Ų149110.7 Ų110.756%0.56251%0.512SS*.Hα-helixtrans-60.7-45.5174.6-75-166.8-64.8-144.2-0.6111.1Q167 E168 L173 Q174 A175Q167-R171 WeakPolarHBondContact O-CG 3.23Å; Q167-R171 PolarHBondContact O-N 3.19Å; E168-R171 PolarHBondContact O-N 3.22Å; E168-R171 IonicContact OE2-CZ 3.25Å; E168-R171 VanDerWaalsContact OE2-CZ 3.25Å; E168-R171 IonicContact OE2-NE 3.82Å; E168-R171 PolarHBondContact OE2-NE 2.71Å; E168-R171 IonicContact OE2-NH2 2.68Å; E168-R171 PolarHBondContact OE2-NH2 2.9Å; R171-L173 PolarHBondContact O-N 3.29Å; R171-Q174 PolarHBondContact O-N 3.47Å; R171-A175 WeakPolarHBondContact O-CB 3.4Å; R171-A175 PolarHBondContact O-N 2.84Å
172Q86.1Confident90.7Very high46 Ų46107.1 Ų107.122%0.21551%0.506CS..Hα-helixtrans-61.9-42.3176.6-72.9172.821.600111.7E168 E169 A175 K176E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 2.79Å; E168-Q172 PolarHBondContact OE1-NE2 3.36Å; E169-Q172 PolarHBondContact O-N 3.08Å; Q172-A175 PolarHBondContact O-N 3.06Å; Q172-K176 WeakPolarHBondContact O-CB 3.38Å; Q172-K176 WeakPolarHBondContact O-CG 3.3Å; Q172-K176 PolarHBondContact O-N 2.7Å
173L90.6Very high90.5Very high89 Ų8999 Ų9947%0.46648%0.477SS..Hα-helixtrans-64.5-43.8177.2-174.365.6000111.9E169 Q170 R171 K176 R177E169-L173 WeakPolarHBondContact O-CB 3.1Å; E169-L173 PolarHBondContact O-N 3.46Å; Q170-L173 PolarHBondContact O-N 3.38Å; R171-L173 PolarHBondContact O-N 3.29Å; L173-K176 PolarHBondContact O-N 3.04Å; L173-R177 WeakPolarHBondContact O-CG 3.5Å; L173-R177 PolarHBondContact O-N 2.82Å
174Q92.2Very high90.2Very high94 Ų9499.3 Ų99.344%0.43948%0.479SS..Hα-helixtrans-64.4-41.1176-72.4-179.37.200111.8Q170 R171 R177 K178Q170-Q174 WeakPolarHBondContact O-CG 3.44Å; Q170-Q174 PolarHBondContact O-N 3.23Å; R171-Q174 PolarHBondContact O-N 3.47Å; Q174-R177 PolarHBondContact O-N 3.44Å; Q174-K178 WeakPolarHBondContact O-CG 3.23Å; Q174-K178 PolarHBondContact O-N 3.44Å
175A88.6Confident90.2Very high57 Ų5798 Ų9847%0.47148%0.475SS..Hα-helixtrans-61.8-44.5174.900000111.6R171 Q172 R177 K178 S179R171-A175 WeakPolarHBondContact O-CB 3.4Å; R171-A175 PolarHBondContact O-N 2.84Å; Q172-A175 PolarHBondContact O-N 3.06Å; A175-R177 VanDerWaalsContact C-N 3.35Å; A175-R177 PolarHBondContact O-N 2.95Å; A175-K178 PolarHBondContact O-N 2.92Å; A175-S179 WeakPolarHBondContact O-CB 3.31Å; A175-S179 PolarHBondContact O-N 3.36Å
176K87.8Confident90.2Very high142 Ų14296.7 Ų96.762%0.61746%0.463SS*.Hα-helixtrans-59.5-42.5173.4-75.4179.1178.1-177.90111.9Q172 L173 S179 K180Q172-K176 WeakPolarHBondContact O-CB 3.38Å; Q172-K176 WeakPolarHBondContact O-CG 3.3Å; Q172-K176 PolarHBondContact O-N 2.7Å; L173-K176 PolarHBondContact O-N 3.04Å; K176-S179 PolarHBondContact O-N 2.87Å; K176-K180 WeakPolarHBondContact O-CB 3.36Å; K176-K180 PolarHBondContact O-N 2.73Å
177R91.4Very high89.8Confident159 Ų15994.6 Ų94.660%0.645%0.452SS*.Hα-helixtrans-63.2-46.6176-73.8177.6-177.6-1741.4112.3L173 Q174 A175 K180 Q181L173-R177 WeakPolarHBondContact O-CG 3.5Å; L173-R177 PolarHBondContact O-N 2.82Å; Q174-R177 PolarHBondContact O-N 3.44Å; A175-R177 VanDerWaalsContact C-N 3.35Å; A175-R177 PolarHBondContact O-N 2.95Å; R177-K180 PolarHBondContact O-N 3.03Å; R177-Q181 WeakPolarHBondContact O-CG 3.29Å; R177-Q181 PolarHBondContact O-N 3.48Å
178K91.6Very high89.6Confident136 Ų13696.8 Ų96.859%0.59146%0.462SS*.Hα-helixtrans-63.9-41.7177.1-72.3179.7179.5-178.30112.1Q174 A175 K180 Q181 T182Q174-K178 WeakPolarHBondContact O-CG 3.23Å; Q174-K178 PolarHBondContact O-N 3.44Å; A175-K178 PolarHBondContact O-N 2.92Å; K178-K180 VanDerWaalsContact C-N 3.31Å; K178-K180 PolarHBondContact O-N 3.31Å; K178-Q181 PolarHBondContact O-N 3.02Å; K178-T182 WeakPolarHBondContact O-CG2 3.43Å; K178-T182 PolarHBondContact O-N 3.36Å; K178-T182 PolarHBondContact O-OG1 2.94Å
179S89.1Confident89.7Confident48 Ų48101.1 Ų101.134%0.33648%0.483SS..Hα-helixtrans-62.6-37.5175.2-178.30000112.2A175 K176 T182 L183 H201A175-S179 WeakPolarHBondContact O-CB 3.31Å; A175-S179 PolarHBondContact O-N 3.36Å; K176-S179 PolarHBondContact O-N 2.87Å; S179-T182 WeakPolarHBondContact CA-OG1 3.45Å; S179-T182 PolarHBondContact O-OG1 2.9Å; S179-L183 PolarHBondContact O-N 3.15Å; S179-H201 PolarHBondContact O-NE2 3.4Å; S179-H201 PolarHBondContact OG-NE2 3.09Å
180K89.1Confident89.4Confident142 Ų14297.2 Ų97.262%0.61747%0.469SS*.Hα-helixtrans-67-44173.2-176.3179.6177.4-179.30112K176 R177 K178 L183 L184K176-K180 WeakPolarHBondContact O-CB 3.36Å; K176-K180 PolarHBondContact O-N 2.73Å; R177-K180 PolarHBondContact O-N 3.03Å; K178-K180 VanDerWaalsContact C-N 3.31Å; K178-K180 PolarHBondContact O-N 3.31Å; K180-L183 PolarHBondContact O-N 2.86Å; K180-L184 HydrophobicContact CG-CD1 4.38Å; K180-L184 WeakPolarHBondContact O-CG 3.42Å; K180-L184 PolarHBondContact O-N 2.93Å; K180-L184 VanDerWaalsContact O-N 3.13Å
181Q91.7Very high89Confident115 Ų115102 Ų10254%0.53749%0.488SS..Hα-helixtrans-62.4-49.3179.1-75.9173.5-19.800111.7R177 K178 L183 L184 D185R177-Q181 WeakPolarHBondContact O-CG 3.29Å; R177-Q181 PolarHBondContact O-N 3.48Å; K178-Q181 PolarHBondContact O-N 3.02Å; Q181-L183 VanDerWaalsContact C-N 3.29Å; Q181-L183 PolarHBondContact O-N 2.77Å; Q181-L184 WeakPolarHBondContact O-CA 3.08Å; Q181-L184 WeakPolarHBondContact O-CB 3.33Å; Q181-L184 PolarHBondContact O-N 3.43Å; Q181-D185 VanDerWaalsContact O-CG 3.32Å; Q181-D185 PolarHBondContact O-N 3.23Å
182T90.2Very high88.7Confident70 Ų7099.7 Ų99.743%0.42949%0.486SS..Hα-helixtrans-57.8-38.817746.70000113.1K178 S179 D185 E186K178-T182 WeakPolarHBondContact O-CG2 3.43Å; K178-T182 PolarHBondContact O-N 3.36Å; K178-T182 PolarHBondContact O-OG1 2.94Å; S179-T182 WeakPolarHBondContact CA-OG1 3.45Å; S179-T182 PolarHBondContact O-OG1 2.9Å; T182-D185 PolarHBondContact O-N 3.1Å; T182-E186 WeakPolarHBondContact O-CB 3.39Å; T182-E186 WeakPolarHBondContact O-CG 3.33Å; T182-E186 PolarHBondContact O-N 3.09Å
183L89Confident88.7Confident27 Ų27100.9 Ų100.914%0.14150%0.498CS..Hα-helixtrans-62.6-41.7172.8177.362.2000112.2S179 K180 Q181 L187 L198 H201S179-L183 PolarHBondContact O-N 3.15Å; K180-L183 PolarHBondContact O-N 2.86Å; Q181-L183 VanDerWaalsContact C-N 3.29Å; Q181-L183 PolarHBondContact O-N 2.77Å; L183-L187 HydrophobicContact CD1-CD1 4.27Å; L183-L187 HydrophobicContact CD1-CG 4.38Å; L183-L187 HydrophobicContact CG-CD1 4.16Å; L183-L187 WeakPolarHBondContact O-CB 3.12Å; L183-L187 VanDerWaalsContact O-CG 3.24Å; L183-L187 WeakPolarHBondContact O-CG 3.27Å; L183-L187 PolarHBondContact O-N 2.63Å; L183-L198 HydrophobicContact CD2-CD2 4.47Å; L183-H201 HydrophobicContact CD1-CB 3.92Å
184L89.3Confident88.5Confident96 Ų9699.2 Ų99.250%0.50350%0.497SS..Hα-helixtrans-64.6-44.3177.4-67.7169.7000111K180 Q181 L187 E188K180-L184 HydrophobicContact CG-CD1 4.38Å; K180-L184 WeakPolarHBondContact O-CG 3.42Å; K180-L184 PolarHBondContact O-N 2.93Å; K180-L184 VanDerWaalsContact O-N 3.13Å; Q181-L184 WeakPolarHBondContact O-CA 3.08Å; Q181-L184 WeakPolarHBondContact O-CB 3.33Å; Q181-L184 PolarHBondContact O-N 3.43Å; L184-L187 PolarHBondContact O-N 2.8Å; L184-E188 PolarHBondContact O-N 3.16Å
185D91.6Very high88.3Confident73 Ų7399.8 Ų99.839%0.3951%0.507SS..Hα-helixtrans-64.5-41.5178.5-60-21.9000111.6Q181 T182 L187 E188 Q189Q181-D185 VanDerWaalsContact O-CG 3.32Å; Q181-D185 PolarHBondContact O-N 3.23Å; T182-D185 PolarHBondContact O-N 3.1Å; D185-L187 VanDerWaalsContact C-N 3.33Å; D185-L187 PolarHBondContact O-N 2.87Å; D185-E188 PolarHBondContact O-N 3.28Å; D185-Q189 WeakPolarHBondContact O-CB 3.28Å; D185-Q189 WeakPolarHBondContact O-CG 3.05Å; D185-Q189 PolarHBondContact O-N 3.37Å
186E88.1Confident88.3Confident65 Ų65101 Ų10130%0.30450%0.504SS..Hα-helixtrans-62.3-38.8174.9-78.8-177.8-174.300111.6T182 S190 R204T182-E186 WeakPolarHBondContact O-CB 3.39Å; T182-E186 WeakPolarHBondContact O-CG 3.33Å; T182-E186 PolarHBondContact O-N 3.09Å; E186-S190 WeakPolarHBondContact O-CB 3.48Å; E186-S190 PolarHBondContact O-N 2.98Å; E186-S190 VanDerWaalsContact O-N 3.08Å; E186-S190 PolarHBondContact O-OG 3.04Å; E186-R204 IonicContact OE1-NH1 3.41Å; E186-R204 PolarHBondContact OE1-NH1 3.21Å; E186-R204 IonicContact OE2-NH1 3.97Å
187L86.9Confident88.1Confident65 Ų6594.6 Ų94.634%0.3448%0.477SS..Hα-helixtrans-69.2-33.1176.1-73.7168.8000112.7L183 L184 D185 A194 L197L183-L187 HydrophobicContact CD1-CD1 4.27Å; L183-L187 HydrophobicContact CD1-CG 4.38Å; L183-L187 HydrophobicContact CG-CD1 4.16Å; L183-L187 WeakPolarHBondContact O-CB 3.12Å; L183-L187 VanDerWaalsContact O-CG 3.24Å; L183-L187 WeakPolarHBondContact O-CG 3.27Å; L183-L187 PolarHBondContact O-N 2.63Å; L184-L187 PolarHBondContact O-N 2.8Å; D185-L187 VanDerWaalsContact C-N 3.33Å; D185-L187 PolarHBondContact O-N 2.87Å; L187-A194 HydrophobicContact CD2-CB 4.14Å; L187-L197 HydrophobicContact CD2-CB 4.25Å; L187-L197 HydrophobicContact CD2-CD1 3.87Å
188E89.4Confident87.9Confident158 Ų15890.9 Ų90.974%0.73847%0.469SS*.Hα-helixtrans-75.4-42.6178.2-176.2177.7-174.300112.1L184 D185L184-E188 PolarHBondContact O-N 3.16Å; D185-E188 PolarHBondContact O-N 3.28Å
189Q89.9Confident87.7Confident157 Ų15787 Ų8773%0.73446%0.462SS*.Hα-helixtrans-89.9-27.6-170.3-65.1175.216.600113.7D185D185-Q189 WeakPolarHBondContact O-CB 3.28Å; D185-Q189 WeakPolarHBondContact O-CG 3.05Å; D185-Q189 PolarHBondContact O-N 3.37Å
190S82.8Confident87.6Confident40 Ų4088.8 Ų88.828%0.2847%0.465SS..  trans-90.8147.4-175.2770000112.6E186 L192 L197E186-S190 WeakPolarHBondContact O-CB 3.48Å; E186-S190 PolarHBondContact O-N 2.98Å; E186-S190 VanDerWaalsContact O-N 3.08Å; E186-S190 PolarHBondContact O-OG 3.04Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L197 WeakPolarHBondContact OG-CD1 3.42Å
191K83.9Confident87.6Confident214 Ų21483.8 Ų83.893%0.9344%0.443SS*.  trans-95.912.2176.3-60.2-178.4-177.5-179.40112.7
192L83.6Confident87.4Confident101 Ų10185.7 Ų85.753%0.52945%0.45SS..SBendtrans-77.4150.1178.6-68.9175000109.9S190 A194 L197S190-L192 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.32Å; L192-L197 HydrophobicContact CB-CD1 4.29Å; L192-L197 HydrophobicContact CB-CD2 4.46Å; L192-L197 HydrophobicContact CB-CG 4.31Å; L192-L197 HydrophobicContact CD1-CD2 4.19Å
193P86.1Confident87.4Confident71 Ų7186.3 Ų86.346%0.46145%0.454SS..  trans-62.3131175.824.6-31.8000110.3T195 I196P193-T195 PolarHBondContact O-N 2.75Å; P193-I196 HydrophobicContact CG-CD1 3.65Å; P193-I196 HydrophobicContact CG-CG1 3.98Å; P193-I196 PolarHBondContact O-N 2.8Å
194A86.1Confident87.2Confident53 Ų5390.3 Ų90.344%0.43847%0.467SS..Hα-helixtrans-54.5-28.1-173.800000114.1L187 L192 I196 L197 L198L187-A194 HydrophobicContact CD2-CB 4.14Å; L192-A194 PolarHBondContact O-N 3.32Å; A194-I196 VanDerWaalsContact C-N 3.31Å; A194-I196 PolarHBondContact O-N 2.87Å; A194-L197 PolarHBondContact O-N 2.8Å; A194-L198 WeakPolarHBondContact O-CB 3.39Å; A194-L198 WeakPolarHBondContact O-CD1 3.03Å; A194-L198 VanDerWaalsContact O-CG 3.31Å; A194-L198 WeakPolarHBondContact O-CG 3.33Å; A194-L198 PolarHBondContact O-N 3.13Å; A194-L198 VanDerWaalsContact O-N 3.1Å
195T88.9Confident87Confident106 Ų10687.4 Ų87.465%0.6546%0.457SS*.Hα-helixtrans-60.6-37.6176.650.40000112.9P193 A199P193-T195 PolarHBondContact O-N 2.75Å; T195-A199 WeakPolarHBondContact O-CB 3.31Å; T195-A199 PolarHBondContact O-N 2.75Å
196I87.4Confident86.7Confident82 Ų8286.3 Ų86.342%0.42146%0.458SS..Hα-helixtrans-74.4-41.6-178.9-62.7-177.3000110.6P193 A194 A199 Q200P193-I196 HydrophobicContact CG-CD1 3.65Å; P193-I196 HydrophobicContact CG-CG1 3.98Å; P193-I196 PolarHBondContact O-N 2.8Å; A194-I196 VanDerWaalsContact C-N 3.31Å; A194-I196 PolarHBondContact O-N 2.87Å; I196-A199 PolarHBondContact O-N 3.5Å; I196-Q200 WeakPolarHBondContact O-CG 3.47Å; I196-Q200 PolarHBondContact O-N 3.4Å
197L84Confident86.6Confident9 Ų988.4 Ų88.45%0.04747%0.468CS..Hα-helixtrans-65.5-43.2180-64.7166.6000111.8L187 S190 L192 A194 A199 Q200 H201L187-L197 HydrophobicContact CD2-CB 4.25Å; L187-L197 HydrophobicContact CD2-CD1 3.87Å; S190-L197 WeakPolarHBondContact OG-CD1 3.42Å; L192-L197 HydrophobicContact CB-CD1 4.29Å; L192-L197 HydrophobicContact CB-CD2 4.46Å; L192-L197 HydrophobicContact CB-CG 4.31Å; L192-L197 HydrophobicContact CD1-CD2 4.19Å; A194-L197 PolarHBondContact O-N 2.8Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 3.11Å; L197-Q200 PolarHBondContact O-N 2.87Å; L197-H201 WeakPolarHBondContact O-CB 3.25Å; L197-H201 PolarHBondContact O-N 3.02Å
198L87.1Confident86.3Confident81 Ų8190.3 Ų90.342%0.42448%0.478SS..Hα-helixtrans-62.7-38.7174.8-71.9165.7000112.2L183 A194 K202L183-L198 HydrophobicContact CD2-CD2 4.47Å; A194-L198 WeakPolarHBondContact O-CB 3.39Å; A194-L198 WeakPolarHBondContact O-CD1 3.03Å; A194-L198 VanDerWaalsContact O-CG 3.31Å; A194-L198 WeakPolarHBondContact O-CG 3.33Å; A194-L198 PolarHBondContact O-N 3.13Å; A194-L198 VanDerWaalsContact O-N 3.1Å; L198-K202 WeakPolarHBondContact O-CG 3.32Å; L198-K202 PolarHBondContact O-N 2.92Å; L198-K202 VanDerWaalsContact O-N 3.08Å
199A87.8Confident85.8Confident54 Ų5488.6 Ų88.645%0.44647%0.47SS..Hα-helixtrans-65.4-43.3176.400000111.7T195 I196 L197 V203T195-A199 WeakPolarHBondContact O-CB 3.31Å; T195-A199 PolarHBondContact O-N 2.75Å; I196-A199 PolarHBondContact O-N 3.5Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 3.11Å; A199-V203 WeakPolarHBondContact O-CG2 3.46Å; A199-V203 PolarHBondContact O-N 3.38Å
200Q87.1Confident85.5Confident86 Ų8684.8 Ų84.840%0.40246%0.457SS..Hα-helixtrans-64.2-43.1176.3-72.7-176-2.200112.4I196 L197 V203 R204I196-Q200 WeakPolarHBondContact O-CG 3.47Å; I196-Q200 PolarHBondContact O-N 3.4Å; L197-Q200 PolarHBondContact O-N 2.87Å; Q200-V203 PolarHBondContact O-N 3Å; Q200-R204 WeakPolarHBondContact O-CG 3.18Å; Q200-R204 PolarHBondContact O-N 3.33Å; Q200-R204 VanDerWaalsContact O-N 3.08Å
201H88.5Confident85.3Confident36 Ų3688.6 Ų88.617%0.16747%0.471CS..Hα-helixtrans-64.4-40.9179.4-171.5-86.2000112.2S179 L183 L197 V203 R204 A205S179-H201 PolarHBondContact O-NE2 3.4Å; S179-H201 PolarHBondContact OG-NE2 3.09Å; L183-H201 HydrophobicContact CD1-CB 3.92Å; L197-H201 WeakPolarHBondContact O-CB 3.25Å; L197-H201 PolarHBondContact O-N 3.02Å; H201-V203 VanDerWaalsContact C-N 3.34Å; H201-V203 PolarHBondContact O-N 2.86Å; H201-R204 PolarHBondContact O-N 2.93Å; H201-A205 WeakPolarHBondContact O-CB 3.44Å; H201-A205 PolarHBondContact O-N 3.24Å
202K88.6Confident84.8Confident155 Ų15581.2 Ų81.267%0.67444%0.441SS*.Hα-helixtrans-58.2-42.5174.2-78.5-179.9178.5-175.10112.9L198 A205 A206L198-K202 WeakPolarHBondContact O-CG 3.32Å; L198-K202 PolarHBondContact O-N 2.92Å; L198-K202 VanDerWaalsContact O-N 3.08Å; K202-A205 PolarHBondContact O-N 3.17Å; K202-A206 WeakPolarHBondContact O-CB 3.45Å; K202-A206 PolarHBondContact O-N 2.88Å; K202-A206 VanDerWaalsContact O-N 3.08Å
203V89.3Confident84.2Confident84 Ų8482.5 Ų82.551%0.50944%0.444SS..Hα-helixtrans-66.6-44178175.80000110.9A199 Q200 H201 A206 Q207A199-V203 WeakPolarHBondContact O-CG2 3.46Å; A199-V203 PolarHBondContact O-N 3.38Å; Q200-V203 PolarHBondContact O-N 3Å; H201-V203 VanDerWaalsContact C-N 3.34Å; H201-V203 PolarHBondContact O-N 2.86Å; V203-A206 PolarHBondContact O-N 3.09Å; V203-Q207 WeakPolarHBondContact O-CG 3.41Å; V203-Q207 PolarHBondContact O-N 3.42Å; V203-Q207 VanDerWaalsContact O-N 3.1Å
204R85.6Confident83.6Confident110 Ų11085 Ų8542%0.41545%0.449SS..Hα-helixtrans-63.2-41.1176.7-67.3-176.9-152154.38.2112E186 Q200 H201 Q207 L208E186-R204 IonicContact OE1-NH1 3.41Å; E186-R204 PolarHBondContact OE1-NH1 3.21Å; E186-R204 IonicContact OE2-NH1 3.97Å; Q200-R204 WeakPolarHBondContact O-CG 3.18Å; Q200-R204 PolarHBondContact O-N 3.33Å; Q200-R204 VanDerWaalsContact O-N 3.08Å; H201-R204 PolarHBondContact O-N 2.93Å; R204-Q207 PolarHBondContact O-N 3.44Å; R204-L208 PolarHBondContact O-N 3.01Å
205A85Confident82.7Confident35 Ų3589.2 Ų89.229%0.28946%0.46SS..Hα-helixtrans-63.5-46.4178.400000112H201 K202 Q207 L208 E209H201-A205 WeakPolarHBondContact O-CB 3.44Å; H201-A205 PolarHBondContact O-N 3.24Å; K202-A205 PolarHBondContact O-N 3.17Å; A205-Q207 VanDerWaalsContact C-N 3.34Å; A205-Q207 PolarHBondContact O-N 3.4Å; A205-L208 PolarHBondContact O-N 3.25Å; A205-E209 PolarHBondContact O-N 3.01Å
206A85.4Confident81.5Confident51 Ų5190 Ų9042%0.42146%0.455SS..Hα-helixtrans-62.4-38.8177.100000112.5K202 V203 E209 T210K202-A206 WeakPolarHBondContact O-CB 3.45Å; K202-A206 PolarHBondContact O-N 2.88Å; K202-A206 VanDerWaalsContact O-N 3.08Å; V203-A206 PolarHBondContact O-N 3.09Å; A206-E209 PolarHBondContact O-N 3.46Å; A206-T210 WeakPolarHBondContact O-CG2 3.26Å; A206-T210 PolarHBondContact O-N 3.03Å; A206-T210 VanDerWaalsContact O-N 3.11Å; A206-T210 PolarHBondContact O-OG1 3.5Å
207Q85Confident80.1Confident109 Ų10993.3 Ų93.351%0.50947%0.468SS..Hα-helixtrans-64.2-41.8175-73.4174.9-700112.1V203 R204 A205 T210 Q211V203-Q207 WeakPolarHBondContact O-CG 3.41Å; V203-Q207 PolarHBondContact O-N 3.42Å; V203-Q207 VanDerWaalsContact O-N 3.1Å; R204-Q207 PolarHBondContact O-N 3.44Å; A205-Q207 VanDerWaalsContact C-N 3.34Å; A205-Q207 PolarHBondContact O-N 3.4Å; Q207-T210 PolarHBondContact O-N 2.98Å; Q207-T210 PolarHBondContact O-OG1 2.98Å; Q207-Q211 WeakPolarHBondContact O-CG 3.48Å; Q207-Q211 PolarHBondContact O-N 3.19Å; Q207-Q211 VanDerWaalsContact O-N 3.12Å
208L80.3Confident78.4Confident104 Ų10499.7 Ų99.755%0.54550%0.503SS..Hα-helixtrans-64.9-40.6175.9-103.8120.2000112.6R204 A205 Q211 I212R204-L208 PolarHBondContact O-N 3.01Å; A205-L208 PolarHBondContact O-N 3.25Å; L208-Q211 PolarHBondContact O-N 2.99Å; L208-I212 WeakPolarHBondContact O-CD1 3.35Å; L208-I212 VanDerWaalsContact O-CG1 3.26Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 3.17Å
209E79.7Confident76.8Confident122 Ų122100.9 Ų100.957%0.5751%0.513SS*.Hα-helixtrans-62-46.1177.1-74.2178.7167.900111.6A205 A206 Q211 I212 E213A205-E209 PolarHBondContact O-N 3.01Å; A206-E209 PolarHBondContact O-N 3.46Å; E209-Q211 VanDerWaalsContact C-N 3.31Å; E209-Q211 PolarHBondContact O-N 3.22Å; E209-I212 PolarHBondContact O-N 3.38Å; E209-E213 WeakPolarHBondContact O-CB 3.44Å; E209-E213 PolarHBondContact O-N 2.85Å
210T82.6Confident74.7Confident77 Ų77106.7 Ų106.747%0.47253%0.528SS..Hα-helixtrans-62.7-35176.355.10000113.3A206 Q207 Q214A206-T210 WeakPolarHBondContact O-CG2 3.26Å; A206-T210 PolarHBondContact O-N 3.03Å; A206-T210 VanDerWaalsContact O-N 3.11Å; A206-T210 PolarHBondContact O-OG1 3.5Å; Q207-T210 PolarHBondContact O-N 2.98Å; Q207-T210 PolarHBondContact O-OG1 2.98Å; T210-Q214 WeakPolarHBondContact O-CB 3.43Å; T210-Q214 VanDerWaalsContact O-CG 3.27Å; T210-Q214 WeakPolarHBondContact O-CG 3.26Å; T210-Q214 PolarHBondContact O-N 3Å; T210-Q214 VanDerWaalsContact O-N 3.08Å
211Q78.7Confident72.6Confident120 Ų120108.4 Ų108.456%0.56155%0.546SS*.Hα-helixtrans-68.3-41.3174.6-73175.713.100112.1Q207 L208 E209 E213 Q214 Q215Q207-Q211 WeakPolarHBondContact O-CG 3.48Å; Q207-Q211 PolarHBondContact O-N 3.19Å; Q207-Q211 VanDerWaalsContact O-N 3.12Å; L208-Q211 PolarHBondContact O-N 2.99Å; E209-Q211 VanDerWaalsContact C-N 3.31Å; E209-Q211 PolarHBondContact O-N 3.22Å; Q211-E213 VanDerWaalsContact C-N 3.33Å; Q211-E213 PolarHBondContact O-N 2.81Å; Q211-Q214 PolarHBondContact O-N 3.19Å; Q211-Q215 WeakPolarHBondContact O-CB 3.26Å; Q211-Q215 PolarHBondContact O-N 3.42Å
212I74.6Confident70.4Confident60 Ų60111.6 Ų111.631%0.30857%0.569SS.*Hα-helixtrans-64-40176.8-68.6164.1000110.7L208 E209 Q215 K216L208-I212 WeakPolarHBondContact O-CD1 3.35Å; L208-I212 VanDerWaalsContact O-CG1 3.26Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 3.17Å; E209-I212 PolarHBondContact O-N 3.38Å; I212-Q215 PolarHBondContact O-N 3.32Å; I212-K216 HydrophobicContact CG2-CD 4.44Å; I212-K216 WeakPolarHBondContact O-CG 3.39Å; I212-K216 PolarHBondContact O-N 3.15Å
213E71.1Confident68.2Low127 Ų127107.8 Ų107.859%0.59356%0.562SS**Hα-helixtrans-70-38.9-179.7-160.6141.3-149.300112.4E209 Q211 Q215 K216 Q217E209-E213 WeakPolarHBondContact O-CB 3.44Å; E209-E213 PolarHBondContact O-N 2.85Å; Q211-E213 VanDerWaalsContact C-N 3.33Å; Q211-E213 PolarHBondContact O-N 2.81Å; E213-Q215 VanDerWaalsContact C-N 3.33Å; E213-Q215 PolarHBondContact O-N 2.88Å; E213-K216 PolarHBondContact O-N 2.73Å; E213-Q217 PolarHBondContact O-N 2.94Å
214Q73.8Confident66.3Low123 Ų123112.3 Ų112.358%0.57558%0.582SS**Hα-helixtrans-64.3-36.7170.1-72.7173.66.200112.2T210 Q211 Q217 N218T210-Q214 WeakPolarHBondContact O-CB 3.43Å; T210-Q214 VanDerWaalsContact O-CG 3.27Å; T210-Q214 WeakPolarHBondContact O-CG 3.26Å; T210-Q214 PolarHBondContact O-N 3Å; T210-Q214 VanDerWaalsContact O-N 3.08Å; Q211-Q214 PolarHBondContact O-N 3.19Å; Q214-Q217 PolarHBondContact O-N 2.93Å; Q214-N218 PolarHBondContact O-N 3.39Å
215Q66.9Low64.2Low142 Ų142115.3 Ų115.366%0.66460%0.599SS**Hα-helixtrans-67.8-39.3175.6-128.6175.58.200112Q211 I212 E213 Q217 N218 V219Q211-Q215 WeakPolarHBondContact O-CB 3.26Å; Q211-Q215 PolarHBondContact O-N 3.42Å; I212-Q215 PolarHBondContact O-N 3.32Å; E213-Q215 VanDerWaalsContact C-N 3.33Å; E213-Q215 PolarHBondContact O-N 2.88Å; Q215-Q217 VanDerWaalsContact C-N 3.34Å; Q215-Q217 PolarHBondContact O-N 3.1Å; Q215-N218 PolarHBondContact O-N 2.94Å; Q215-V219 PolarHBondContact O-N 3.3Å
216K63.5Low62.5Low123 Ų123118.5 Ų118.554%0.53562%0.618SS.*Hα-helixtrans-65.1-33.6174.1-76.5179.8-179.3179.40112.9I212 E213I212-K216 HydrophobicContact CG2-CD 4.44Å; I212-K216 WeakPolarHBondContact O-CG 3.39Å; I212-K216 PolarHBondContact O-N 3.15Å; E213-K216 PolarHBondContact O-N 2.73Å
217Q56.8Low60.8Low151 Ų151120.2 Ų120.271%0.70662%0.624SS**Hα-helixtrans-73.3-27.1175.2-77-180-12.900113.5E213 Q214 Q215E213-Q217 PolarHBondContact O-N 2.94Å; Q214-Q217 PolarHBondContact O-N 2.93Å; Q215-Q217 VanDerWaalsContact C-N 3.34Å; Q215-Q217 PolarHBondContact O-N 3.1Å
218N49.8Very low59Low144 Ų144118.7 Ų118.777%0.7764%0.637SS**Hα-helixtrans-80.2-18.8177-95.8-13.5000114Q214 Q215 K220Q214-N218 PolarHBondContact O-N 3.39Å; Q215-N218 PolarHBondContact O-N 2.94Å; N218-K220 VanDerWaalsContact C-N 3.3Å; N218-K220 PolarHBondContact O-N 3.24Å
219V53.4Low57.6Low106 Ų106119.8 Ų119.864%0.64264%0.642SS**SBendtrans-73.494161-173.60000105.8Q215Q215-V219 PolarHBondContact O-N 3.3Å
220K43.4Very low56.1Low176 Ų176122.5 Ų122.577%0.76566%0.655SS**  trans-41129.8176.1-68.7-179.1-179.1179.90108.2N218 T222N218-K220 VanDerWaalsContact C-N 3.3Å; N218-K220 PolarHBondContact O-N 3.24Å; K220-T222 PolarHBondContact O-N 3.46Å
221P41.7Very low54.3Low121 Ų121127.6 Ų127.679%0.78668%0.677SS**  trans-58.4107.8173.423.7-30.8000106.3S223P221-S223 VanDerWaalsContact C-N 3.31Å; P221-S223 PolarHBondContact O-N 3.16Å
222T43.2Very low52.9Low104 Ų104125.3 Ų125.364%0.63869%0.686SS**  trans-60.8105.8172.9-57.40000105.7K220K220-T222 PolarHBondContact O-N 3.46Å
223S43Very low51.4Low75 Ų75130.2 Ų130.252%0.52471%0.708SS.*  trans-8118.4179.757.70000115.1P221 F225P221-S223 VanDerWaalsContact C-N 3.31Å; P221-S223 PolarHBondContact O-N 3.16Å; S223-F225 PolarHBondContact O-N 2.75Å; S223-F225 VanDerWaalsContact O-N 3.16Å
224L49.4Very low50.1Low179 Ų179131.1 Ų131.194%0.93772%0.722SS**SBendtrans-49.1117142.7-80.3147.6000108
225F41.2Very low48.7Very low173 Ų173130.3 Ų130.376%0.75973%0.726SS**  trans66.795.5163.7-156-101.8000117.2S223 T227S223-F225 PolarHBondContact O-N 2.75Å; S223-F225 VanDerWaalsContact O-N 3.16Å; F225-T227 HydrophobicContact CD1-CG2 4.29Å; F225-T227 HydrophobicContact CE1-CG2 3.44Å; F225-T227 VanDerWaalsContact CE1-CG2 3.44Å; F225-T227 HydrophobicContact CZ-CG2 3.69Å
226S49.1Very low47.9Very low101 Ų101128.7 Ų128.771%0.70673%0.73SS**  trans-102.582.5168.7174.50000110.6G228S226-G228 PolarHBondContact O-N 2.82Å
227T49Very low47.2Very low88 Ų88130.6 Ų130.654%0.5475%0.745SS.*  trans-73.4112.8148.242.80000107.1F225 I229F225-T227 HydrophobicContact CD1-CG2 4.29Å; F225-T227 HydrophobicContact CE1-CG2 3.44Å; F225-T227 VanDerWaalsContact CE1-CG2 3.44Å; F225-T227 HydrophobicContact CZ-CG2 3.69Å; T227-I229 PolarHBondContact O-N 3.18Å
228G48.7Very low47.1Very low76 Ų76131.4 Ų131.478%0.78475%0.749SS**  trans-68.169.8-176.100000114.2S226S226-G228 PolarHBondContact O-N 2.82Å
229I50Low47.1Very low128 Ų128130.5 Ų130.566%0.65675%0.751SS**  trans-100.7113.9169.1-57.9174.3000107.5T227 I231T227-I229 PolarHBondContact O-N 3.18Å; I229-I231 PolarHBondContact O-N 3.03Å
230Q48.2Very low46.9Very low178 Ų178133 Ų13383%0.83276%0.76SS**  trans-59.8126173.4-62.4-172.25.100109.4G232Q230-G232 PolarHBondContact O-N 3.19Å
231I43.8Very low47.5Very low184 Ų184130 Ų13094%0.94476%0.759SS**THydrogen-bonded Turntrans-66.2102.2178.8-62.1167.9000107.8I229I229-I231 PolarHBondContact O-N 3.03Å
232G49.3Very low48.2Very low73 Ų73135.9 Ų135.975%0.75377%0.765SS**THydrogen-bonded Turntrans165.7-16.8178.400000116.4Q230Q230-G232 PolarHBondContact O-N 3.19Å
233Q44.3Very low49.2Very low162 Ų162137.5 Ų137.576%0.75777%0.768SS**  trans-93.6112173.1-83.1-179.2-2300111.2V235Q233-V235 VanDerWaalsContact C-N 3.3Å; Q233-V235 HydrophobicContact CB-CG2 4.44Å; Q233-V235 PolarHBondContact O-N 2.99Å
234T43.8Very low50Low146 Ų146142.8 Ų142.890%0.89679%0.785SS**  trans-71.487.7165.854.60000108.8
235V44.2Very low50.7Low107 Ų107141.9 Ų141.965%0.64878%0.776SS**  trans-76.4122.4167.1-173.20000107.3Q233 L237Q233-V235 VanDerWaalsContact C-N 3.3Å; Q233-V235 HydrophobicContact CB-CG2 4.44Å; Q233-V235 PolarHBondContact O-N 2.99Å; V235-L237 PolarHBondContact O-N 3.34Å
236S50.5Low51.8Low108 Ų108140.6 Ų140.676%0.75578%0.782SS**  trans-59.6106.3176.9-175.10000110Q238S236-Q238 VanDerWaalsContact C-N 3.34Å; S236-Q238 PolarHBondContact O-N 3.18Å; S236-Q238 VanDerWaalsContact O-N 3.11Å
237L47.4Very low52.8Low162 Ų162143.5 Ų143.585%0.84879%0.789SS**  trans-81.279.2175.7-67.5169.9000109.3V235V235-L237 PolarHBondContact O-N 3.34Å
238Q55.8Low53.8Low169 Ų169148.8 Ų148.879%0.7980%0.8SS**PPolyproline II helixtrans-68.3127.2157.8-94178.7-28.400108.4S236 L240S236-Q238 VanDerWaalsContact C-N 3.34Å; S236-Q238 PolarHBondContact O-N 3.18Å; S236-Q238 VanDerWaalsContact O-N 3.11Å; Q238-L240 PolarHBondContact O-N 3.39Å; Q238-L240 VanDerWaalsContact O-N 3.12Å
239P49.1Very low55.1Low124 Ų124153 Ų15381%0.80580%0.799SS**PPolyproline II helixtrans-63116.9178.7-1829.7000109.9
240L50.2Low56.1Low160 Ų160154.2 Ų154.284%0.83880%0.797SS**PPolyproline II helixtrans-62.3133.9166.4-77.3163.4000108.6Q238 R242Q238-L240 PolarHBondContact O-N 3.39Å; Q238-L240 VanDerWaalsContact O-N 3.12Å; L240-R242 PolarHBondContact O-N 3.26Å; L240-R242 VanDerWaalsContact O-N 3.15Å
241P54.9Low57.4Low113 Ų113153.9 Ų153.973%0.73479%0.792SS**PPolyproline II helixtrans-60.3120.9177.823.2-30.8000109.2I243P241-I243 PolarHBondContact O-N 3.22Å
242R56.9Low58.8Low243 Ų243149.4 Ų149.492%0.91778%0.775SS**  trans-65.4105.7172.8-75.6-176.3-177.2-179.60.8108.2L240 Q244L240-R242 PolarHBondContact O-N 3.26Å; L240-R242 VanDerWaalsContact O-N 3.15Å; R242-Q244 PolarHBondContact O-N 3.38Å; R242-Q244 VanDerWaalsContact O-N 3.15Å
243I63.7Low59.9Low139 Ų139153 Ų15371%0.71378%0.777SS**  trans-71.7106.3163.7-53.3175.5000105.7P241 E245P241-I243 PolarHBondContact O-N 3.22Å; I243-E245 HydrophobicContact CG2-CG 3.77Å; I243-E245 PolarHBondContact O-N 3.5Å
244Q59.8Low61Low185 Ų185154.2 Ų154.286%0.86478%0.782SS**  trans-8176.3177.2-170.1168.1100108.5R242R242-Q244 PolarHBondContact O-N 3.38Å; R242-Q244 VanDerWaalsContact O-N 3.15Å
245E64.1Low62.3Low160 Ų160152.4 Ų152.475%0.74877%0.771SS**  trans-70.8129168-62.8-171.3167.400108.6I243 L247I243-E245 HydrophobicContact CG2-CG 3.77Å; I243-E245 PolarHBondContact O-N 3.5Å; E245-L247 PolarHBondContact O-N 3.48Å
246V65.9Low63.4Low146 Ų146154.3 Ų154.389%0.88577%0.773SS**  trans-70.4101.3-178.9-152.70000107.4Y248V246-Y248 PolarHBondContact O-N 3.45Å
247L68.8Low64.2Low163 Ų163154.7 Ų154.785%0.85377%0.77SS**  trans-52.2128.9173.9-81.4153.3000109.5E245 Q249E245-L247 PolarHBondContact O-N 3.48Å; L247-Q249 PolarHBondContact O-N 2.96Å
248Y71.3Confident65.2Low198 Ų198157.2 Ų157.278%0.77677%0.77SS**  trans-55.4113.9177174.6-98.2000110.3V246 Y250V246-Y248 PolarHBondContact O-N 3.45Å; Y248-Y250 HydrophobicContact CE1-CD2 4.22Å; Y248-Y250 PolarHBondContact O-N 3.08Å
249Q74.8Confident66Low165 Ų165151.4 Ų151.477%0.77176%0.755SS**  trans-89.1104.9175.6-168.4169.922.100108.8L247 K251L247-Q249 PolarHBondContact O-N 2.96Å; Q249-K251 PolarHBondContact O-N 3.48Å
250Y70.8Confident67.1Low154 Ų154150 Ų15060%0.60475%0.747SS**PPolyproline II helixtrans-59121.1177.1178.8-99.4000110.6Y248 P252Y248-Y250 HydrophobicContact CE1-CD2 4.22Å; Y248-Y250 PolarHBondContact O-N 3.08Å; Y250-P252 HydrophobicContact CE1-CB 3.97Å
251K76.3Confident68Low170 Ų170147.6 Ų147.674%0.73974%0.74SS**PPolyproline II helixtrans-102120.9166.4-70-174.4179.9179.90108.1Q249 L253Q249-K251 PolarHBondContact O-N 3.48Å; K251-L253 PolarHBondContact O-N 2.96Å
252P72.4Confident68.8Low91 Ų91148 Ų14859%0.59174%0.743SS**PPolyproline II helixtrans-60.8135.917824.8-32.1000109.8Y250 Q254Y250-P252 HydrophobicContact CE1-CB 3.97Å; P252-Q254 PolarHBondContact O-N 3.27Å; P252-Q254 VanDerWaalsContact O-N 3.14Å
253L73Confident69.5Low148 Ų148138.5 Ų138.578%0.77571%0.713SS**  trans-61.8114.6171.9-93.6121.3000108.9K251 V255K251-L253 PolarHBondContact O-N 2.96Å; L253-V255 HydrophobicContact CB-CG2 4.47Å; L253-V255 PolarHBondContact O-N 2.95Å
254Q66.8Low70.1Confident188 Ų188136.5 Ų136.588%0.87970%0.704SS**  trans-79.8103.5166.5-74-171.9-25.900107.9P252P252-Q254 PolarHBondContact O-N 3.27Å; P252-Q254 VanDerWaalsContact O-N 3.14Å
255V71.8Confident70.6Confident107 Ų107134.4 Ų134.465%0.64870%0.698SS**  trans-91.6109.5173.5-176.10000107.2L253 T257L253-V255 HydrophobicContact CB-CG2 4.47Å; L253-V255 PolarHBondContact O-N 2.95Å; V255-T257 HydrophobicContact CG1-CG2 4.07Å; V255-T257 PolarHBondContact O-N 3.25Å
256E67.3Low70.9Confident148 Ų148134.1 Ų134.169%0.69270%0.696SS**  trans-72.8103.6168.8-70.1-175.8173.400109Y258E256-Y258 HydrophobicContact CB-CE2 4.16Å; E256-Y258 PolarHBondContact OE2-OH 2.77Å
257T68Low70.8Confident115 Ų115132.2 Ų132.271%0.70668%0.678SS**  trans-88.9112.117552.40000109.9V255 G259V255-T257 HydrophobicContact CG1-CG2 4.07Å; V255-T257 PolarHBondContact O-N 3.25Å; T257-G259 PolarHBondContact O-N 2.99Å
258Y67.5Low70.7Confident215 Ų215127 Ų12784%0.84365%0.65SS**  trans-8150.6172.9-66.8-82.9000112.2E256E256-Y258 HydrophobicContact CB-CE2 4.16Å; E256-Y258 PolarHBondContact OE2-OH 2.77Å
259G71.7Confident70.5Confident47 Ų47122.6 Ų122.649%0.48565%0.649SS.*SBendtrans-110.3153.2175.900000111.5T257T257-G259 PolarHBondContact O-N 2.99Å
260P72.9Confident70.1Confident95 Ų95125 Ų12562%0.61765%0.65SS**PPolyproline II helixtrans-58.4140.8170.126.8-33.7000109.6F280P260-F280 HydrophobicContact CG-CE1 3.66Å; P260-F280 HydrophobicContact CG-CZ 4.09Å
261P69.3Low69.7Low109 Ų109124.2 Ų124.271%0.70865%0.651SS**PPolyproline II helixtrans-61.7146.6-178.525.7-33.7000110.5
262P70.8Confident69.1Low122 Ų122117.8 Ų117.879%0.79263%0.633SS**PPolyproline II helixtrans-59.2139.3177.425.2-33000110.2
263P73.3Confident68.5Low43 Ų43122.9 Ų122.928%0.27964%0.642SS.*PPolyproline II helixtrans-64.5145.8-179.925.2-32.2000111.2Q267 L268 L276P263-Q267 HydrophobicContact CB-CB 4.36Å; P263-L268 HydrophobicContact CG-CD2 4.37Å; P263-L268 HydrophobicContact CG-CG 4.45Å; P263-L276 HydrophobicContact CG-CD1 4.49Å
264D76.6Confident67.5Low98 Ų98124 Ų12452%0.52464%0.643SS.*PPolyproline II helixtrans-71.1155.9-176.6-164.98.9000111.9E266 Q267 L268D264-E266 PolarHBondContact O-N 3.48Å; D264-Q267 HydrophobicContact CB-CG 4.22Å; D264-Q267 WeakPolarHBondContact O-CA 3.46Å; D264-Q267 WeakPolarHBondContact O-CB 3.35Å; D264-Q267 PolarHBondContact O-N 2.91Å; D264-L268 PolarHBondContact O-N 2.82Å
265L69.6Low66.8Low141 Ų141118 Ų11874%0.73862%0.621SS**Hα-helixtrans-56.5-34.1-178.5-84.4154.2000112.4S269L265-S269 PolarHBondContact O-N 2.97Å; L265-S269 VanDerWaalsContact O-N 3.15Å
266E69.5Low65.8Low154 Ų154115.1 Ų115.172%0.7260%0.603SS**Hα-helixtrans-70.4-31.4174.2-69.3-170.1164.200113D264 R270D264-E266 PolarHBondContact O-N 3.48Å; E266-R270 PolarHBondContact O-N 3.02Å
267Q64.6Low64.8Low106 Ų106111.4 Ų111.450%0.49559%0.593SS.*Hα-helixtrans-74.5-38.2177.6-63.1177.4-2800111.1P263 D264 S269 R270 F271P263-Q267 HydrophobicContact CB-CB 4.36Å; D264-Q267 HydrophobicContact CB-CG 4.22Å; D264-Q267 WeakPolarHBondContact O-CA 3.46Å; D264-Q267 WeakPolarHBondContact O-CB 3.35Å; D264-Q267 PolarHBondContact O-N 2.91Å; Q267-S269 VanDerWaalsContact C-N 3.32Å; Q267-S269 PolarHBondContact O-N 3.12Å; Q267-R270 PolarHBondContact O-N 3.45Å; Q267-F271 PolarHBondContact O-N 2.89Å
268L65.9Low63.7Low53 Ų53113.2 Ų113.228%0.27760%0.598SS.*Hα-helixtrans-62.3-38.7172.8-74.5161.5000112.1P263 D264 R270 G272 Y273 L276P263-L268 HydrophobicContact CG-CD2 4.37Å; P263-L268 HydrophobicContact CG-CG 4.45Å; D264-L268 PolarHBondContact O-N 2.82Å; L268-R270 VanDerWaalsContact C-N 3.3Å; L268-R270 PolarHBondContact O-N 3.34Å; L268-G272 PolarHBondContact O-N 3.49Å; L268-Y273 HydrophobicContact CD2-CE2 4.36Å; L268-L276 HydrophobicContact CD2-CD1 4.18Å
269S67.1Low62.5Low106 Ų106107 Ų10774%0.74159%0.585SS**Hα-helixtrans-65.2-30.1176.3173.80000113.4L265 Q267L265-S269 PolarHBondContact O-N 2.97Å; L265-S269 VanDerWaalsContact O-N 3.15Å; Q267-S269 VanDerWaalsContact C-N 3.32Å; Q267-S269 PolarHBondContact O-N 3.12Å
270R66.3Low61.2Low214 Ų214110.5 Ų110.581%0.80859%0.588SS**Hα-helixtrans-92.1-29.7-168.2-140.4173.8-169.9172.32.7113.7E266 Q267 L268E266-R270 PolarHBondContact O-N 3.02Å; Q267-R270 PolarHBondContact O-N 3.45Å; L268-R270 VanDerWaalsContact C-N 3.3Å; L268-R270 PolarHBondContact O-N 3.34Å
271F63.9Low59.5Low138 Ų138114.2 Ų114.261%0.60559%0.594SS**Hα-helixtrans-110-9.4-171.7-74-73.4000114.4Q267 S275Q267-F271 PolarHBondContact O-N 2.89Å; F271-S275 WeakPolarHBondContact CB-OG 3.32Å; F271-S275 PolarHBondContact O-OG 3.04Å
272G63.4Low57.9Low36 Ų36118.5 Ų118.537%0.37160%0.602SS.*Hα-helixtrans66.5154.9-174.800000112.6L268 E274L268-G272 PolarHBondContact O-N 3.49Å; G272-E274 PolarHBondContact O-N 3.38Å; G272-E274 VanDerWaalsContact O-N 3.11Å
273Y59.1Low56.2Low198 Ų198121.1 Ų121.178%0.77660%0.601SS**Hα-helixtrans-61.7-22.4-174.6-117.7-93.4000114L268L268-Y273 HydrophobicContact CD2-CE2 4.36Å
274E51.7Low54.3Low171 Ų171124.7 Ų124.780%0.79962%0.624SS**Hα-helixtrans-85.6-25.9-170.1-66.9-175.3160.800114.2G272 S277G272-E274 PolarHBondContact O-N 3.38Å; G272-E274 VanDerWaalsContact O-N 3.11Å; E274-S277 PolarHBondContact O-OG 2.93Å
275S52.3Low52.2Low61 Ų61125 Ų12543%0.42763%0.634SS.*Hα-helixtrans-82.4-18.2-177.266.50000114.4F271F271-S275 WeakPolarHBondContact CB-OG 3.32Å; F271-S275 PolarHBondContact O-OG 3.04Å
276L50.2Low50.4Low48 Ų48128.2 Ų128.225%0.25164%0.643SS.*THydrogen-bonded Turntrans-85.2-11.8177.8-80.2154.5000113.5P263 L268 L278 F280P263-L276 HydrophobicContact CG-CD1 4.49Å; L268-L276 HydrophobicContact CD2-CD1 4.18Å; L276-L278 VanDerWaalsContact C-N 3.32Å; L276-L278 PolarHBondContact O-N 2.83Å; L276-F280 WeakPolarHBondContact O-CD2 3.16Å
277S47.3Very low48.6Very low70 Ų70126.3 Ų126.349%0.4964%0.641SS.*THydrogen-bonded Turntrans-72.6-23.5-18069.80000113.7E274E274-S277 PolarHBondContact O-OG 2.93Å
278L44.3Very low47.5Very low153 Ų153125.4 Ų125.480%0.80165%0.652SS**THydrogen-bonded Turntrans-86.6-14.6-176.1-84.7151.6000114.1L276L276-L278 VanDerWaalsContact C-N 3.32Å; L276-L278 PolarHBondContact O-N 2.83Å
279S42.5Very low45.7Very low84 Ų84131 Ų13159%0.58768%0.676SS**SBendtrans-92-13.6179.9-4.80000113.7
280F44.8Very low44.5Very low121 Ų121130.8 Ų130.853%0.53167%0.672SS.*SBendtrans-99.2-3.3-173.2-87.6-88.7000114.9P260 L276 F282P260-F280 HydrophobicContact CG-CE1 3.66Å; P260-F280 HydrophobicContact CG-CZ 4.09Å; L276-F280 WeakPolarHBondContact O-CD2 3.16Å; F280-F282 PolarHBondContact O-N 3.27Å
281F37.2Very low42.9Very low173 Ų173127.7 Ų127.776%0.75967%0.667SS**  trans-96.269170.7-84.4-83.4000111
282F34.9Very low41.4Very low199 Ų199128 Ų12887%0.87368%0.68SS**  trans-115.5108.2156.5-115.6-94.6000108.2F280F280-F282 PolarHBondContact O-N 3.27Å
283F34.6Very low39.9Very low177 Ų177134.7 Ų134.778%0.77670%0.699SS**  trans-52.3135.8172.9-95.8-101.3000110.4S285F283-S285 PolarHBondContact O-N 3.37Å; F283-S285 VanDerWaalsContact O-N 3.09Å
284P35.3Very low38.5Very low117 Ų117130.3 Ų130.376%0.7670%0.698SS**  trans-72.2108.2168.316.8-8.5000108.8F286P284-F286 PolarHBondContact O-N 3.18Å
285S31.8Very low37.6Very low105 Ų105128.9 Ų128.973%0.73470%0.696SS**  trans-65117.9159.7-59.80000108.4F283 V287F283-S285 PolarHBondContact O-N 3.37Å; F283-S285 VanDerWaalsContact O-N 3.09Å; S285-V287 PolarHBondContact O-N 3.29Å
286F31.5Very low36.5Very low209 Ų209133.6 Ų133.692%0.91772%0.715SS**  trans-65.8100.7169.6-116.3-96.8000108.6P284P284-F286 PolarHBondContact O-N 3.18Å
287V31.8Very low35.7Very low113 Ų113137.1 Ų137.169%0.68574%0.738SS**  trans-99.497.1165.7179.70000106.7S285S285-V287 PolarHBondContact O-N 3.29Å
288A41.5Very low34.8Very low87 Ų87140.8 Ų140.872%0.71975%0.753SS**  trans-79.2120.6162.900000107.9
289H29.1Very low34.3Very low171 Ų171138.5 Ų138.579%0.79276%0.755SS**  trans-130.8147.2160.1-96-59.3000111.6
290P40.1Very low33.7Very low102 Ų102141.2 Ų141.266%0.66276%0.764SS**  trans-112.9-179.5-156.733.4-14.8000113.4
291E32.7Very low33.2Very low148 Ų148146.9 Ų146.969%0.69278%0.783SS**  trans91.4122.4163.7-48.9-162.7165.300115.7
292T33.3Very low32.9Very low144 Ų144148.4 Ų148.488%0.88379%0.79SS**  -155151.772.128.70000115.3
293K32.9Very low32.8Very low178 Ų178142.4 Ų142.477%0.77478%0.784SS**  trans-72.5151.7-165.5-72.2155.6171.1161.60117
294S29.7Very low32.6Very low106 Ų106139.2 Ų139.274%0.74178%0.784SS**  trans177.3131.1133.534.60000106.4
295D30.9Very low32.5Very low141 Ų141145.2 Ų145.275%0.75479%0.791SS**  cis-155.7145.310.8-80.3-40.9000109.7
296L30.6Very low32.6Very low159 Ų159145.9 Ų145.983%0.83279%0.791SS**  trans40.4113.1140.1-64.9163.2000120.8
297V32.7Very low32.5Very low122 Ų122141.6 Ų141.674%0.73979%0.785SS**  161.4115.398.3173.20000110.9
298N29.1Very low32.9Very low148 Ų148145.4 Ų145.479%0.79182%0.817SS**  trans22.8122.7147.1-59.1-24.4000121.8
299A32.8Very low32.5Very low104 Ų104148.4 Ų148.486%0.8682%0.822SS**  -161.7102.5125.600000110.1
300D30.5Very low32.6Very low142 Ų142147.2 Ų147.276%0.75982%0.824SS**  trans-63.6134.7166.5-71.7-50.9000110.5
301Y33.3Very low32.2Very low239 Ų239149.7 Ų149.794%0.93783%0.833SS**  trans-150.4118.3138-111-80.6000111.3
302F32.3Very low32.2Very low205 Ų205149.8 Ų149.890%0.89984%0.841SS**  trans-39.3154.2170.1-90.9-109.6000116.7
303G31.8Very low32.1Very low74 Ų74150.1 Ų150.176%0.76384%0.838SS**  trans152.672.7140.700000118.3
304S30.8Very low32.1Very low110 Ų110148.3 Ų148.377%0.76984%0.843SS**  trans-64150.3171.7-38.60000114.8
305R34.3Very low32.3Very low242 Ų242151.3 Ų151.391%0.91385%0.85SS**  trans171.1109.9138.2-95.2171.7-143.5-150.75.2107.2
306V33.5Very low32.4Very low120 Ų120152.1 Ų152.173%0.72786%0.857SS**  63.8111.356.7-171.60000113.9
307C29.5Very low32.5Very low118 Ų118151.5 Ų151.580%0.79786%0.859SS**  trans60.6131.7157.6-600000117.7
308S39.7Very low32.5Very low194 Ų194154.2 Ų154.2100%1.35787%0.87SS**  cis-147.5038.3-480000111.9

Retrieved 308 of 308 residues in 362.7 ms (Link to these results)

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