A0A061ILI7_CRIGR Loading...

Cyclin-dependent kinase-like 2

AlphaFold DB , UniProt , Accession A0A061ILI7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cdkl2, Length 569 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
1M89.2Confident90.4Very high40 Ų4069.4 Ų69.420%0.19738%0.376CS..  0-47.70-70.7-46.1-72.600113K3 Y4 I32 C70 K72 Y77M1-K3 VanDerWaalsContact C-N 3.29Å; M1-K3 PolarHBondContact O-N 3.44Å; M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 3.45Å; M1-Y4 HydrophobicContact SD-CD2 4.41Å; M1-I32 HydrophobicContact CE-CD1 4.29Å; M1-I32 HydrophobicContact CE-CG2 4.29Å; M1-C70 HydrophobicContact CG-CB 3.87Å; M1-C70 PolarHBondContact N-SG 2.69Å; M1-C70 HydrophobicContact SD-CB 3.57Å; M1-C70 VanDerWaalsContact SD-CB 3.57Å; M1-K72 HydrophobicContact CB-CB 4.39Å; M1-K72 HydrophobicContact CB-CD 4.05Å; M1-K72 HydrophobicContact CG-CB 4.02Å; M1-K72 HydrophobicContact CG-CD 4.42Å; M1-Y77 HydrophobicContact CE-CD1 3.78Å; M1-Y77 HydrophobicContact CE-CD2 4.46Å; M1-Y77 HydrophobicContact CE-CE1 4.1Å; M1-Y77 HydrophobicContact CE-CG 3.98Å; M1-Y77 HydrophobicContact CG-CD2 4.04Å; M1-Y77 HydrophobicContact CG-CE2 4.48Å; M1-Y77 HydrophobicContact CG-CG 4.31Å; M1-Y77 HydrophobicContact SD-CD1 4.17Å; M1-Y77 HydrophobicContact SD-CD2 4.1Å; M1-Y77 HydrophobicContact SD-CG 3.74Å
2E89.2Confident88.5Confident152 Ų15276.1 Ų76.171%0.7140%0.403SS*.THydrogen-bonded Turntrans-60.1-33.2-178.1-78.4119.6-135.400114.9Y4 K24E2-Y4 PolarHBondContact O-N 2.66Å; E2-Y4 VanDerWaalsContact O-N 3.12Å; E2-K24 PolarHBondContact O-NZ 2.9Å
3K93.6Very high86.5Confident65 Ų6574 Ų7428%0.28341%0.411SS..THydrogen-bonded Turntrans-65.2-3.4171.471.7179.1-176.4-177.20115.3M1 K24 D25 E68M1-K3 VanDerWaalsContact C-N 3.29Å; M1-K3 PolarHBondContact O-N 3.44Å; K3-K24 WeakPolarHBondContact O-CB 3.33Å; K3-K24 WeakPolarHBondContact O-CG 3.48Å; K3-K24 PolarHBondContact O-N 2.77Å; K3-D25 WeakPolarHBondContact CB-OD2 3.46Å; K3-D25 WeakPolarHBondContact CD-OD2 3.41Å; K3-E68 VanDerWaalsContact CE-OE1 3.27Å; K3-E68 WeakPolarHBondContact CE-OE1 3.3Å; K3-E68 WeakPolarHBondContact CE-OE2 3.39Å; K3-E68 IonicContact NZ-OE1 2.69Å; K3-E68 PolarHBondContact NZ-OE1 3.45Å; K3-E68 IonicContact NZ-OE2 3.52Å; K3-E68 PolarHBondContact NZ-OE2 3.4Å
4Y95.9Very high83.8Confident22 Ų2274.5 Ų74.59%0.08642%0.422CS..EExtended strand (participates in β ladder)trans-104.5136.5177.3-65-69.6000111.7M1 E2 C21 R22 N23 K24 V30 I32 E68 V79M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 3.45Å; M1-Y4 HydrophobicContact SD-CD2 4.41Å; E2-Y4 PolarHBondContact O-N 2.66Å; E2-Y4 VanDerWaalsContact O-N 3.12Å; Y4-C21 HydrophobicContact CD1-CB 4.3Å; Y4-R22 WeakPolarHBondContact CA-O 3.35Å; Y4-N23 HydrophobicContact CD1-CB 4.18Å; Y4-N23 HydrophobicContact CE1-CB 3.78Å; Y4-K24 WeakPolarHBondContact O-CE 3.26Å; Y4-K24 PolarHBondContact O-NZ 2.93Å; Y4-V30 HydrophobicContact CD1-CG2 3.77Å; Y4-V30 HydrophobicContact CE1-CG1 4.41Å; Y4-V30 HydrophobicContact CE1-CG2 3.53Å; Y4-I32 HydrophobicContact CD1-CD1 4.04Å; Y4-I32 HydrophobicContact CD2-CD1 3.83Å; Y4-I32 HydrophobicContact CE2-CD1 4.34Å; Y4-I32 HydrophobicContact CG-CD1 3.69Å; Y4-E68 VanDerWaalsContact OH-CD 3.31Å; Y4-E68 PolarHBondContact OH-OE1 3.49Å; Y4-V79 HydrophobicContact CE1-CG1 4.36Å; Y4-V79 HydrophobicContact CE2-CG2 4.19Å
5E95.9Very high81.9Confident76 Ų7673.8 Ų73.836%0.35541%0.411SS..EExtended strand (participates in β ladder)trans-102.7135168.1170.2-178.4-119.800108L7 C21 R22 K24E5-L7 HydrophobicContact CG-CD2 4.14Å; E5-C21 CarbonylContact O-C 3.56Å; E5-C21 WeakPolarHBondContact O-CA 3.45Å; E5-C21 VanDerWaalsContact O-CB 3.27Å; E5-C21 WeakPolarHBondContact O-CB 3.2Å; E5-R22 HydrophobicContact CB-CB 4.34Å; E5-R22 PolarHBondContact N-O 2.66Å; E5-R22 PolarHBondContact O-N 3.4Å; E5-R22 WeakPolarHBondContact OE2-CD 3.09Å; E5-R22 IonicContact OE2-CZ 3.38Å; E5-R22 IonicContact OE2-NE 2.67Å; E5-R22 IonicContact OE2-NH1 2.75Å; E5-R22 PolarHBondContact OE2-NH1 2.66Å; E5-K24 HydrophobicContact CB-CG 4.29Å
6N95.6Very high80.9Confident98 Ų9871 Ų7152%0.52440%0.404SS..EExtended strand (participates in β ladder)trans-83.6132.2175.1-172.218.4000110G8 K20N6-G8 PolarHBondContact OD1-N 3.45Å; N6-G8 VanDerWaalsContact OD1-N 3.12Å; N6-G8 PolarHBondContact OD1-O 3Å; N6-K20 PolarHBondContact OD1-O 3.09Å
7L95Very high80.9Confident72 Ų7270.8 Ų70.838%0.37740%0.4SS..EExtended strand (participates in β ladder)trans-111-10.4177.7-58.2-175.7000113.1E5 K20 R22 I29E5-L7 HydrophobicContact CG-CD2 4.14Å; L7-K20 WeakPolarHBondContact CA-O 3.48Å; L7-K20 HydrophobicContact CB-CB 4.38Å; L7-K20 HydrophobicContact CB-CG 4.43Å; L7-K20 WeakPolarHBondContact CB-O 3.34Å; L7-K20 PolarHBondContact N-O 2.85Å; L7-R22 HydrophobicContact CD1-CB 4.07Å; L7-R22 HydrophobicContact CD2-CB 4.41Å; L7-R22 HydrophobicContact CG-CB 4.3Å; L7-I29 HydrophobicContact CD1-CD1 3.82Å
8G93Very high81.3Confident28 Ų2868.8 Ų68.829%0.28939%0.389SS..EExtended strand (participates in β ladder)trans148.8174.4179.400000113.8N6 M19 K20N6-G8 PolarHBondContact OD1-N 3.45Å; N6-G8 VanDerWaalsContact OD1-N 3.12Å; N6-G8 PolarHBondContact OD1-O 3Å; G8-M19 WeakPolarHBondContact O-CA 3.3Å; G8-K20 PolarHBondContact O-N 3.43Å
9L89.1Confident81.9Confident100 Ų10066.5 Ų66.552%0.52438%0.375SS..EExtended strand (participates in β ladder)trans-77.1140.2168.5-172.763.5000109.5G11 E12 M17L9-G11 WeakPolarHBondContact CD1-O 3.49Å; L9-E12 HydrophobicContact CD2-CB 4.34Å; L9-M17 HydrophobicContact CD1-CG 3.36Å; L9-M17 HydrophobicContact CD1-SD 4.21Å
10V84.1Confident82.5Confident80 Ų8066.7 Ų66.749%0.48537%0.372SS..EExtended strand (participates in β ladder)trans-99.1-43.3167.5-177.50000109.8V18 K20 F82V10-V18 HydrophobicContact CB-CB 4.49Å; V10-V18 HydrophobicContact CB-CG1 4.2Å; V10-V18 PolarHBondContact N-O 2.74Å; V10-K20 HydrophobicContact CG2-CB 3.62Å; V10-K20 HydrophobicContact CG2-CG 4.35Å; V10-F82 HydrophobicContact CG2-CE2 4.01Å
11G73.4Confident83.2Confident30 Ų3063.7 Ų63.731%0.30936%0.355SS..EExtended strand (participates in β ladder)trans-167.415717800000111.8L9 V18L9-G11 WeakPolarHBondContact CD1-O 3.49Å; G11-V18 PolarHBondContact N-O 3.05Å; G11-V18 PolarHBondContact O-N 3.35Å
12E68.4Low83.5Confident150 Ų15066.5 Ų66.570%0.70136%0.364SS*.  trans-134.4139.1173.7179160.8-15000108.1L9L9-E12 HydrophobicContact CD2-CB 4.34Å
13G62Low83.8Confident49 Ų4960.1 Ų60.151%0.50534%0.335SS..SBendtrans-171.7-169.1-177.200000111.1Y15 G16G13-Y15 PolarHBondContact O-N 3.34Å; G13-G16 PolarHBondContact O-N 3.05Å
14S48.5Very low83.9Confident81 Ų8163 Ų6357%0.56635%0.347SS*.THydrogen-bonded Turntrans-56.4-21-171.1-46.80000115V162S14-V162 PolarHBondContact OG-O 3.32Å; S14-V162 VanDerWaalsContact OG-O 3.09Å
15Y55.3Low83.8Confident64 Ų6467.8 Ų67.825%0.25137%0.374SS..THydrogen-bonded Turntrans-102.515.1178.2-48.5-59.2000113.9G13 K33 F147 Y161G13-Y15 PolarHBondContact O-N 3.34Å; Y15-K33 VanDerWaalsContact CB-CE 3.49Å; Y15-K33 VanDerWaalsContact O-CE 3.26Å; Y15-K33 WeakPolarHBondContact O-CE 3.36Å; Y15-F147 HydrophobicContact CD2-CE2 4.1Å; Y15-F147 HydrophobicContact CE1-CE2 4.47Å; Y15-F147 HydrophobicContact CE2-CD2 4.32Å; Y15-F147 AromaticContact CE2-CE2 3.26Å; Y15-F147 HydrophobicContact CE2-CE2 3.26Å; Y15-F147 AromaticContact CE2-CZ 3.49Å; Y15-F147 HydrophobicContact CE2-CZ 3.49Å; Y15-F147 VanDerWaalsContact CE2-CZ 3.49Å; Y15-F147 AromaticContact CZ-CE2 3.53Å; Y15-F147 AromaticContact CZ-CZ 3.42Å; Y15-F147 VanDerWaalsContact CZ-CZ 3.42Å; Y15-F147 WeakPolarHBondContact OH-CZ 3.3Å; Y15-Y161 AromaticContact CE1-CE1 3.96Å; Y15-Y161 HydrophobicContact CE1-CE1 3.96Å; Y15-Y161 AromaticContact CZ-CE1 3.91Å; Y15-Y161 WeakPolarHBondContact OH-CD1 3.39Å; Y15-Y161 WeakPolarHBondContact OH-CE1 3.33Å
16G66.8Low83.6Confident29 Ų2966.6 Ų66.630%0.29937%0.374SS..  trans89.2-170.8174.700000115G13G13-G16 PolarHBondContact O-N 3.05Å
17M79.5Confident83.4Confident68 Ų6863.6 Ų63.634%0.33537%0.367SS..  trans-83.2129.8-168.9-170.6-177.157.500112.6L9 M19 K34L9-M17 HydrophobicContact CD1-CG 3.36Å; L9-M17 HydrophobicContact CD1-SD 4.21Å; M17-M19 HydrophobicContact CE-CE 4.3Å; M17-M19 HydrophobicContact CE-CG 3.93Å; M17-M19 HydrophobicContact CE-SD 3.66Å; M17-M19 HydrophobicContact CG-CG 4.39Å; M17-M19 HydrophobicContact SD-CG 4.38Å; M17-K34 PolarHBondContact O-N 3.06Å; M17-K34 VanDerWaalsContact O-N 3.12Å
18V88.3Confident83.3Confident35 Ų3563.3 Ų63.321%0.21236%0.36CS..EExtended strand (participates in β ladder)trans-108.9114.3174.1-175.50000110V10 G11 A31 K33V10-V18 HydrophobicContact CB-CB 4.49Å; V10-V18 HydrophobicContact CB-CG1 4.2Å; V10-V18 PolarHBondContact N-O 2.74Å; G11-V18 PolarHBondContact N-O 3.05Å; G11-V18 PolarHBondContact O-N 3.35Å; V18-A31 HydrophobicContact CG1-CB 4.2Å; V18-K33 HydrophobicContact CG2-CB 4.18Å; V18-K33 HydrophobicContact CG2-CD 4.25Å; V18-K33 HydrophobicContact CG2-CG 4.02Å
19M92.5Very high83.4Confident25 Ų2564.4 Ų64.412%0.12336%0.359CS..EExtended strand (participates in β ladder)trans-99.2139.4-178.4-62.1169.9-69.100111.8G8 M17 I32 Y77G8-M19 WeakPolarHBondContact O-CA 3.3Å; M17-M19 HydrophobicContact CE-CE 4.3Å; M17-M19 HydrophobicContact CE-CG 3.93Å; M17-M19 HydrophobicContact CE-SD 3.66Å; M17-M19 HydrophobicContact CG-CG 4.39Å; M17-M19 HydrophobicContact SD-CG 4.38Å; M19-I32 HydrophobicContact CE-CB 4.35Å; M19-I32 HydrophobicContact CE-CG2 4.22Å; M19-I32 PolarHBondContact N-O 2.84Å; M19-I32 PolarHBondContact O-N 3.42Å; M19-Y77 HydrophobicContact CE-CD1 4.48Å; M19-Y77 HydrophobicContact CE-CE1 4.34Å
20K95.1Very high83.7Confident70 Ų7059.8 Ų59.830%0.30434%0.335SS..EExtended strand (participates in β ladder)trans-80.4120.8167-163164.9-173163.20107.3N6 L7 G8 V10 I29 F82N6-K20 PolarHBondContact OD1-O 3.09Å; L7-K20 WeakPolarHBondContact CA-O 3.48Å; L7-K20 HydrophobicContact CB-CB 4.38Å; L7-K20 HydrophobicContact CB-CG 4.43Å; L7-K20 WeakPolarHBondContact CB-O 3.34Å; L7-K20 PolarHBondContact N-O 2.85Å; G8-K20 PolarHBondContact O-N 3.43Å; V10-K20 HydrophobicContact CG2-CB 3.62Å; V10-K20 HydrophobicContact CG2-CG 4.35Å; K20-I29 HydrophobicContact CG-CG2 3.96Å; K20-F82 HydrophobicContact CD-CD2 4.26Å; K20-F82 HydrophobicContact CD-CE2 3.71Å; K20-F82 HydrophobicContact CD-CZ 3.91Å; K20-F82 VanDerWaalsContact CE-CE1 3.49Å; K20-F82 HydrophobicContact CG-CD2 3.98Å; K20-F82 HydrophobicContact CG-CE2 3.89Å
21C96.4Very high84.2Confident4 Ų456.7 Ų56.73%0.02732%0.318CS..EExtended strand (participates in β ladder)trans-128.8150.8-178.2-70.60000112.3Y4 E5 I29 V30 I32Y4-C21 HydrophobicContact CD1-CB 4.3Å; E5-C21 CarbonylContact O-C 3.56Å; E5-C21 WeakPolarHBondContact O-CA 3.45Å; E5-C21 VanDerWaalsContact O-CB 3.27Å; E5-C21 WeakPolarHBondContact O-CB 3.2Å; C21-I29 CarbonylContact O-C 3.51Å; C21-I29 WeakPolarHBondContact O-CA 3.44Å; C21-V30 HydrophobicContact CB-CG2 3.86Å; C21-V30 PolarHBondContact N-O 2.9Å; C21-V30 WeakPolarHBondContact O-CG2 3.44Å; C21-V30 PolarHBondContact O-N 3.14Å; C21-I32 HydrophobicContact CB-CD1 3.7Å; C21-I32 HydrophobicContact CB-CG1 4.02Å
22R96.6Very high85.1Confident98 Ų9855.3 Ų55.337%0.3730%0.303SS..EExtended strand (participates in β ladder)trans-101.5131.5168.1-178.5-179.9-65.9132.1-6.9109.4Y4 E5 L7 K24 I29Y4-R22 WeakPolarHBondContact CA-O 3.35Å; E5-R22 HydrophobicContact CB-CB 4.34Å; E5-R22 PolarHBondContact N-O 2.66Å; E5-R22 PolarHBondContact O-N 3.4Å; E5-R22 WeakPolarHBondContact OE2-CD 3.09Å; E5-R22 IonicContact OE2-CZ 3.38Å; E5-R22 IonicContact OE2-NE 2.67Å; E5-R22 IonicContact OE2-NH1 2.75Å; E5-R22 PolarHBondContact OE2-NH1 2.66Å; L7-R22 HydrophobicContact CD1-CB 4.07Å; L7-R22 HydrophobicContact CD2-CB 4.41Å; L7-R22 HydrophobicContact CG-CB 4.3Å; R22-K24 PolarHBondContact O-N 3.06Å; R22-I29 HydrophobicContact CB-CD1 4Å; R22-I29 HydrophobicContact CG-CD1 4.13Å
23N95.7Very high86Confident19 Ų1949.2 Ų49.210%0.10228%0.275CS..EExtended strand (participates in β ladder)trans-72.4119.7162.9-173.9-17.2000108.5Y4 D25 S26 G27 R28Y4-N23 HydrophobicContact CD1-CB 4.18Å; Y4-N23 HydrophobicContact CE1-CB 3.78Å; N23-D25 VanDerWaalsContact C-N 3.27Å; N23-D25 PolarHBondContact O-N 3.02Å; N23-D25 WeakPolarHBondContact OD1-CB 3.32Å; N23-D25 PolarHBondContact OD1-N 3.39Å; N23-D25 PolarHBondContact OD1-OD2 3.1Å; N23-S26 PolarHBondContact ND2-OG 3.24Å; N23-G27 WeakPolarHBondContact O-CA 3.42Å; N23-G27 PolarHBondContact O-N 3.02Å; N23-R28 PolarHBondContact N-O 3.37Å
24K95.3Very high87Confident125 Ų12549.4 Ų49.454%0.54326%0.261SS..THydrogen-bonded Turntrans-65.3-31.1-179.7-65.3170-175.71660112.5E2 K3 Y4 E5 R22E2-K24 PolarHBondContact O-NZ 2.9Å; K3-K24 WeakPolarHBondContact O-CB 3.33Å; K3-K24 WeakPolarHBondContact O-CG 3.48Å; K3-K24 PolarHBondContact O-N 2.77Å; Y4-K24 WeakPolarHBondContact O-CE 3.26Å; Y4-K24 PolarHBondContact O-NZ 2.93Å; E5-K24 HydrophobicContact CB-CG 4.29Å; R22-K24 PolarHBondContact O-N 3.06Å
25D92.6Very high88Confident123 Ų12347 Ų4766%0.65824%0.241SC*.THydrogen-bonded Turntrans-78.7-34.4-173.5-44.8-32.2000111.8K3 N23K3-D25 WeakPolarHBondContact CB-OD2 3.46Å; K3-D25 WeakPolarHBondContact CD-OD2 3.41Å; N23-D25 VanDerWaalsContact C-N 3.27Å; N23-D25 PolarHBondContact O-N 3.02Å; N23-D25 WeakPolarHBondContact OD1-CB 3.32Å; N23-D25 PolarHBondContact OD1-N 3.39Å; N23-D25 PolarHBondContact OD1-OD2 3.1Å
26S91.9Very high88.5Confident51 Ų5146.1 Ų46.136%0.35724%0.24SC..THydrogen-bonded Turntrans-119.5-7.4-174.4690000115.2N23 R28N23-S26 PolarHBondContact ND2-OG 3.24Å; S26-R28 PolarHBondContact O-N 2.97Å; S26-R28 VanDerWaalsContact O-N 3.14Å; S26-R28 PolarHBondContact OG-N 3.28Å
27G91.6Very high88.2Confident35 Ų3549.6 Ų49.636%0.36125%0.249SC..  trans70.6-6.4-172.600000115.3N23N23-G27 WeakPolarHBondContact O-CA 3.42Å; N23-G27 PolarHBondContact O-N 3.02Å
28R92.9Very high87.1Confident66 Ų6648.9 Ų48.925%0.24925%0.251CS..  trans-64.2135.6-176.3-174.3173.1-176-167.8-0.5111.3N23 S26 E81 N313N23-R28 PolarHBondContact N-O 3.37Å; S26-R28 PolarHBondContact O-N 2.97Å; S26-R28 VanDerWaalsContact O-N 3.14Å; S26-R28 PolarHBondContact OG-N 3.28Å; R28-E81 VanDerWaalsContact NH2-CB 3.34Å; R28-E81 IonicContact NH2-OE2 2.78Å; R28-N313 WeakPolarHBondContact CD-O 3.42Å; R28-N313 PolarHBondContact NE-O 2.65Å; R28-N313 PolarHBondContact NE-OD1 3.35Å; R28-N313 PolarHBondContact NH2-OD1 3.23Å
29I95.2Very high85.8Confident50 Ų5048.4 Ų48.426%0.25625%0.247SC..EExtended strand (participates in β ladder)trans-83.7137.7173-48.1-55.8000109.5L7 K20 C21 R22 F82L7-I29 HydrophobicContact CD1-CD1 3.82Å; K20-I29 HydrophobicContact CG-CG2 3.96Å; C21-I29 CarbonylContact O-C 3.51Å; C21-I29 WeakPolarHBondContact O-CA 3.44Å; R22-I29 HydrophobicContact CB-CD1 4Å; R22-I29 HydrophobicContact CG-CD1 4.13Å; I29-F82 HydrophobicContact CB-CB 4.24Å; I29-F82 HydrophobicContact CG2-CB 3.81Å; I29-F82 HydrophobicContact CG2-CD1 4.05Å; I29-F82 HydrophobicContact CG2-CD2 4.35Å; I29-F82 HydrophobicContact CG2-CG 3.78Å
30V95.5Very high84.5Confident3 Ų352.3 Ų52.32%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-137.6155.3-177.3-62.50000110.5Y4 C21 I32 L67 V79 F80Y4-V30 HydrophobicContact CD1-CG2 3.77Å; Y4-V30 HydrophobicContact CE1-CG1 4.41Å; Y4-V30 HydrophobicContact CE1-CG2 3.53Å; C21-V30 HydrophobicContact CB-CG2 3.86Å; C21-V30 PolarHBondContact N-O 2.9Å; C21-V30 WeakPolarHBondContact O-CG2 3.44Å; C21-V30 PolarHBondContact O-N 3.14Å; V30-I32 HydrophobicContact CG2-CD1 4.16Å; V30-I32 HydrophobicContact CG2-CG1 3.96Å; V30-L67 HydrophobicContact CG1-CD1 3.83Å; V30-V79 HydrophobicContact CB-CG1 3.81Å; V30-V79 HydrophobicContact CG1-CG1 4.06Å; V30-V79 HydrophobicContact CG2-CG1 3.86Å; V30-F80 WeakPolarHBondContact CA-O 3.37Å; V30-F80 VanDerWaalsContact CB-O 3.3Å; V30-F80 WeakPolarHBondContact CB-O 3.31Å
31A94.7Very high83.4Confident16 Ų1652.7 Ų52.713%0.13227%0.274CS..EExtended strand (participates in β ladder)trans-98.8130.2167.700000109.2V18 F80 F82V18-A31 HydrophobicContact CG1-CB 4.2Å; A31-F80 HydrophobicContact CB-CB 4.45Å; A31-F80 PolarHBondContact N-O 2.85Å; A31-F80 PolarHBondContact O-N 2.88Å; A31-F82 HydrophobicContact CB-CD2 4.46Å
32I92.9Very high82.4Confident0 Ų061.4 Ų61.40%031%0.311CS..EExtended strand (participates in β ladder)trans-118.4107.1179.3-52.7-170.4000110M1 Y4 M19 C21 V30 Y77 L78 V79M1-I32 HydrophobicContact CE-CD1 4.29Å; M1-I32 HydrophobicContact CE-CG2 4.29Å; Y4-I32 HydrophobicContact CD1-CD1 4.04Å; Y4-I32 HydrophobicContact CD2-CD1 3.83Å; Y4-I32 HydrophobicContact CE2-CD1 4.34Å; Y4-I32 HydrophobicContact CG-CD1 3.69Å; M19-I32 HydrophobicContact CE-CB 4.35Å; M19-I32 HydrophobicContact CE-CG2 4.22Å; M19-I32 PolarHBondContact N-O 2.84Å; M19-I32 PolarHBondContact O-N 3.42Å; C21-I32 HydrophobicContact CB-CD1 3.7Å; C21-I32 HydrophobicContact CB-CG1 4.02Å; V30-I32 HydrophobicContact CG2-CD1 4.16Å; V30-I32 HydrophobicContact CG2-CG1 3.96Å; I32-Y77 HydrophobicContact CG2-CD1 3.92Å; I32-Y77 HydrophobicContact CG2-CG 4.4Å; I32-L78 WeakPolarHBondContact CA-O 3.27Å; I32-V79 HydrophobicContact CD1-CG2 4.14Å; I32-V79 HydrophobicContact CG1-CG1 4.24Å; I32-V79 HydrophobicContact CG1-CG2 4.13Å; I32-V79 HydrophobicContact CG2-CG2 4.37Å
33K87.6Confident81Confident23 Ų2362.2 Ų62.210%0.132%0.321CS..EExtended strand (participates in β ladder)trans-86.1122.5172.6-171.1165.9179.4177.30109.3Y15 V18 F35 L78 F80 D144Y15-K33 VanDerWaalsContact CB-CE 3.49Å; Y15-K33 VanDerWaalsContact O-CE 3.26Å; Y15-K33 WeakPolarHBondContact O-CE 3.36Å; V18-K33 HydrophobicContact CG2-CB 4.18Å; V18-K33 HydrophobicContact CG2-CD 4.25Å; V18-K33 HydrophobicContact CG2-CG 4.02Å; K33-F35 PolarHBondContact O-N 3.04Å; K33-L78 PolarHBondContact N-O 2.89Å; K33-L78 PolarHBondContact O-N 2.86Å; K33-F80 HydrophobicContact CB-CE2 4.27Å; K33-D144 IonicContact NZ-OD1 2.67Å; K33-D144 PolarHBondContact NZ-OD1 2.83Å; K33-D144 IonicContact NZ-OD2 3.33Å; K33-D144 PolarHBondContact NZ-OD2 3.11Å
34K81.9Confident79.8Confident52 Ų5263.7 Ų63.723%0.22633%0.33CS..EExtended strand (participates in β ladder)trans-69116.4173176.3-155.9167.6-160.40108.4M17 E37 Y77M17-K34 PolarHBondContact O-N 3.06Å; M17-K34 VanDerWaalsContact O-N 3.12Å; K34-E37 IonicContact NZ-OE1 3.86Å; K34-E37 PolarHBondContact NZ-OE1 2.98Å; K34-E37 IonicContact NZ-OE2 3.5Å; K34-E37 PolarHBondContact NZ-OE2 2.67Å; K34-Y77 HydrophobicContact CB-CD1 4.48Å; K34-Y77 HydrophobicContact CB-CE1 4.25Å; K34-Y77 HydrophobicContact CG-CE1 4.21Å
35F70.4Confident78.7Confident30 Ų3061.1 Ų61.113%0.13232%0.319CS..EExtended strand (participates in β ladder)trans-110.3122.4-177.7-168.4-80.1000111.3K33 A48 E51 W76 L78K33-F35 PolarHBondContact O-N 3.04Å; F35-A48 HydrophobicContact CD1-CB 4.45Å; F35-A48 HydrophobicContact CE1-CB 3.5Å; F35-A48 HydrophobicContact CZ-CB 4.07Å; F35-E51 WeakPolarHBondContact CE2-OE1 3.49Å; F35-E51 WeakPolarHBondContact CE2-OE2 3.35Å; F35-E51 VanDerWaalsContact CZ-OE2 3.29Å; F35-E51 WeakPolarHBondContact CZ-OE2 3.4Å; F35-W76 HydrophobicContact CB-CB 4.22Å; F35-W76 HydrophobicContact CD1-CB 4.28Å; F35-W76 PolarHBondContact N-O 2.94Å; F35-W76 CarbonylContact O-C 3.47Å; F35-W76 WeakPolarHBondContact O-CA 3.14Å; F35-W76 WeakPolarHBondContact O-CB 3.26Å; F35-W76 PolarHBondContact O-N 3.12Å; F35-L78 HydrophobicContact CB-CD1 4.44Å; F35-L78 HydrophobicContact CB-CG 4.06Å; F35-L78 HydrophobicContact CD2-CD1 3.73Å; F35-L78 HydrophobicContact CD2-CG 4.26Å; F35-L78 HydrophobicContact CE2-CD1 4.4Å; F35-L78 HydrophobicContact CG-CD1 4.3Å; F35-L78 HydrophobicContact CG-CG 4.35Å
36L65.1Low77.6Confident46 Ų4662.7 Ų62.724%0.24132%0.32CS..  trans63.5144.9177.1-144.176.6000116.9S38 V44L36-S38 WeakPolarHBondContact CD2-O 3.39Å; L36-V44 HydrophobicContact CD1-CG1 3.46Å; L36-V44 VanDerWaalsContact CD1-CG1 3.46Å; L36-V44 HydrophobicContact CD2-CG1 3.62Å; L36-V44 HydrophobicContact CG-CG1 4.11Å
37E61.2Low76.5Confident102 Ų10264.9 Ų64.948%0.47733%0.326SS..SBendtrans-91.1-27.9175.6-150.766.9-104.700112.8K34 R75K34-E37 IonicContact NZ-OE1 3.86Å; K34-E37 PolarHBondContact NZ-OE1 2.98Å; K34-E37 IonicContact NZ-OE2 3.5Å; K34-E37 PolarHBondContact NZ-OE2 2.67Å; E37-R75 IonicContact OE1-CZ 2.64Å; E37-R75 IonicContact OE1-NE 3.84Å; E37-R75 PolarHBondContact OE1-NE 3.13Å; E37-R75 IonicContact OE1-NH2 3.71Å; E37-R75 PolarHBondContact OE1-NH2 3.33Å
38S56.7Low75.6Confident54 Ų5463.3 Ų63.338%0.37831%0.31SS..  trans-139.494.1-164.645.30000114.4L36 D40L36-S38 WeakPolarHBondContact CD2-O 3.39Å; S38-D40 PolarHBondContact O-N 3.4Å
39D59.5Low74.7Confident24 Ų2464.6 Ų64.613%0.12832%0.32CS..THydrogen-bonded Turntrans-69.48.5168.2-173.269.9000114.4K45 K71 K74 W76D39-K45 WeakPolarHBondContact OD1-CD 3.42Å; D39-K45 WeakPolarHBondContact OD1-CE 3.36Å; D39-K45 IonicContact OD1-NZ 2.9Å; D39-K45 PolarHBondContact OD1-NZ 3.2Å; D39-K45 IonicContact OD2-NZ 2.77Å; D39-K45 PolarHBondContact OD2-NZ 3.25Å; D39-K71 IonicContact OD1-NZ 3.61Å; D39-K71 PolarHBondContact OD1-NZ 3.2Å; D39-K71 IonicContact OD2-NZ 3.4Å; D39-K71 PolarHBondContact OD2-NZ 2.84Å; D39-K74 HydrophobicContact CB-CB 4.26Å; D39-K74 VanDerWaalsContact CB-O 3.26Å; D39-K74 WeakPolarHBondContact CB-O 3.48Å; D39-K74 PolarHBondContact N-O 2.71Å; D39-W76 PolarHBondContact OD1-NE1 2.97Å
40D66.4Low73.6Confident108 Ų10868.6 Ų68.658%0.57833%0.332SS*.THydrogen-bonded Turntrans-81.4-27-178.7-68.3-44.6000113.2S38 K74S38-D40 PolarHBondContact O-N 3.4Å; D40-K74 WeakPolarHBondContact OD1-CE 3.5Å; D40-K74 IonicContact OD1-NZ 2.66Å; D40-K74 PolarHBondContact OD1-NZ 2.85Å; D40-K74 WeakPolarHBondContact OD2-CD 3.26Å; D40-K74 IonicContact OD2-NZ 2.66Å; D40-K74 PolarHBondContact OD2-NZ 2.83Å
41D71.5Confident72.5Confident78 Ų7870.6 Ų70.642%0.41734%0.341SS..  trans-86.7118.2175.6-170.9-33.1000110.8M43 V44 K45D41-M43 VanDerWaalsContact C-N 3.32Å; D41-M43 PolarHBondContact O-N 3.49Å; D41-M43 WeakPolarHBondContact OD1-CA 3.41Å; D41-M43 WeakPolarHBondContact OD1-CB 3.46Å; D41-M43 PolarHBondContact OD1-N 2.89Å; D41-V44 HydrophobicContact CB-CB 4.07Å; D41-V44 HydrophobicContact CB-CG2 3.87Å; D41-V44 PolarHBondContact OD1-N 2.96Å; D41-K45 WeakPolarHBondContact O-CB 3.36Å; D41-K45 PolarHBondContact O-N 3.13Å
42K74.4Confident71.7Confident187 Ų18770.2 Ų70.281%0.81334%0.337SS*.Hα-helixtrans-64.4-32.3179.1-64.1-178.3-178.5175.60113.1K46K42-K46 WeakPolarHBondContact O-CB 3.45Å; K42-K46 PolarHBondContact O-N 3.17Å; K42-K46 VanDerWaalsContact O-N 3.09Å
43M68.9Low71.1Confident115 Ų11576.6 Ų76.657%0.56736%0.364SS*.Hα-helixtrans-74.6-49.2-179.6-175.259177.900110.7D41 K45 K46 I47D41-M43 VanDerWaalsContact C-N 3.32Å; D41-M43 PolarHBondContact O-N 3.49Å; D41-M43 WeakPolarHBondContact OD1-CA 3.41Å; D41-M43 WeakPolarHBondContact OD1-CB 3.46Å; D41-M43 PolarHBondContact OD1-N 2.89Å; M43-K45 VanDerWaalsContact C-N 3.26Å; M43-K45 PolarHBondContact O-N 3.23Å; M43-K46 WeakPolarHBondContact O-CA 3.33Å; M43-K46 WeakPolarHBondContact O-CB 3.47Å; M43-K46 PolarHBondContact O-N 2.96Å; M43-I47 HydrophobicContact CE-CD1 4.46Å; M43-I47 HydrophobicContact CG-CD1 4.49Å; M43-I47 WeakPolarHBondContact O-CG1 3.38Å; M43-I47 PolarHBondContact O-N 3.38Å
44V69Low70.5Confident49 Ų4977.6 Ų77.630%0.29737%0.371SS..Hα-helixtrans-60.5-39.9176.7-175.40000110.7L36 D41 K46 I47 A48L36-V44 HydrophobicContact CD1-CG1 3.46Å; L36-V44 VanDerWaalsContact CD1-CG1 3.46Å; L36-V44 HydrophobicContact CD2-CG1 3.62Å; L36-V44 HydrophobicContact CG-CG1 4.11Å; D41-V44 HydrophobicContact CB-CB 4.07Å; D41-V44 HydrophobicContact CB-CG2 3.87Å; D41-V44 PolarHBondContact OD1-N 2.96Å; V44-K46 PolarHBondContact O-N 2.83Å; V44-I47 PolarHBondContact O-N 2.94Å; V44-A48 WeakPolarHBondContact O-CB 3.4Å; V44-A48 PolarHBondContact O-N 3.4Å
45K71.8Confident70.4Confident72 Ų7276 Ų7631%0.31337%0.365SS..Hα-helixtrans-62.5-35.6172.4-174.2174.2-170.71500113.8D39 D41 M43 M49D39-K45 WeakPolarHBondContact OD1-CD 3.42Å; D39-K45 WeakPolarHBondContact OD1-CE 3.36Å; D39-K45 IonicContact OD1-NZ 2.9Å; D39-K45 PolarHBondContact OD1-NZ 3.2Å; D39-K45 IonicContact OD2-NZ 2.77Å; D39-K45 PolarHBondContact OD2-NZ 3.25Å; D41-K45 WeakPolarHBondContact O-CB 3.36Å; D41-K45 PolarHBondContact O-N 3.13Å; M43-K45 VanDerWaalsContact C-N 3.26Å; M43-K45 PolarHBondContact O-N 3.23Å; K45-M49 WeakPolarHBondContact O-CB 3.43Å; K45-M49 VanDerWaalsContact O-CG 3.3Å; K45-M49 WeakPolarHBondContact O-CG 3.27Å; K45-M49 PolarHBondContact O-N 3.31Å
46K71.4Confident70.9Confident155 Ų15579.9 Ų79.967%0.67438%0.382SS*.Hα-helixtrans-67.4-40.2175-173-176.5178.1-173.60111.3K42 M43 V44 R50K42-K46 WeakPolarHBondContact O-CB 3.45Å; K42-K46 PolarHBondContact O-N 3.17Å; K42-K46 VanDerWaalsContact O-N 3.09Å; M43-K46 WeakPolarHBondContact O-CA 3.33Å; M43-K46 WeakPolarHBondContact O-CB 3.47Å; M43-K46 PolarHBondContact O-N 2.96Å; V44-K46 PolarHBondContact O-N 2.83Å; K46-R50 PolarHBondContact O-N 3.29Å; K46-R50 VanDerWaalsContact O-N 3.14Å
47I68.4Low71.7Confident97 Ų9783.9 Ų83.950%0.49740%0.399SS..Hα-helixtrans-62.9-52.4174.4-64.2164.7000109.9M43 V44 M49 R50 E51M43-I47 HydrophobicContact CE-CD1 4.46Å; M43-I47 HydrophobicContact CG-CD1 4.49Å; M43-I47 WeakPolarHBondContact O-CG1 3.38Å; M43-I47 PolarHBondContact O-N 3.38Å; V44-I47 PolarHBondContact O-N 2.94Å; I47-M49 VanDerWaalsContact C-N 3.29Å; I47-M49 PolarHBondContact O-N 3.22Å; I47-R50 WeakPolarHBondContact O-CA 3.44Å; I47-R50 WeakPolarHBondContact O-CB 3.42Å; I47-R50 PolarHBondContact O-N 2.67Å; I47-E51 PolarHBondContact O-N 3.01Å
48A71.5Confident72.9Confident3 Ų379.7 Ų79.73%0.02538%0.38CS..Hα-helixtrans-52.9-43.417700000113F35 V44 E51 I52F35-A48 HydrophobicContact CD1-CB 4.45Å; F35-A48 HydrophobicContact CE1-CB 3.5Å; F35-A48 HydrophobicContact CZ-CB 4.07Å; V44-A48 WeakPolarHBondContact O-CB 3.4Å; V44-A48 PolarHBondContact O-N 3.4Å; A48-E51 PolarHBondContact O-N 3.44Å; A48-I52 WeakPolarHBondContact O-CB 3.29Å; A48-I52 WeakPolarHBondContact O-CD1 3.43Å; A48-I52 VanDerWaalsContact O-CG1 3.26Å; A48-I52 WeakPolarHBondContact O-CG1 3.38Å; A48-I52 PolarHBondContact O-N 3.41Å
49M75.6Confident74.5Confident92 Ų9285.2 Ų85.245%0.45339%0.392SS..Hα-helixtrans-71.5-26.5178.2-71.2-61.2-56.400113.6K45 I47 I52 K53 W76K45-M49 WeakPolarHBondContact O-CB 3.43Å; K45-M49 VanDerWaalsContact O-CG 3.3Å; K45-M49 WeakPolarHBondContact O-CG 3.27Å; K45-M49 PolarHBondContact O-N 3.31Å; I47-M49 VanDerWaalsContact C-N 3.29Å; I47-M49 PolarHBondContact O-N 3.22Å; M49-I52 HydrophobicContact SD-CD1 4.27Å; M49-K53 WeakPolarHBondContact O-CB 3.47Å; M49-K53 PolarHBondContact O-N 2.95Å; M49-K53 VanDerWaalsContact O-N 3.1Å; M49-W76 HydrophobicContact SD-CH2 4.27Å
50R70.6Confident76.2Confident134 Ų13486.4 Ų86.451%0.50640%0.397SS..Hα-helixtrans-68.8-47.1171-177.3-177.8177.1-173.2-1.9110.4K46 I47 K53 L54 T150 E156K46-R50 PolarHBondContact O-N 3.29Å; K46-R50 VanDerWaalsContact O-N 3.14Å; I47-R50 WeakPolarHBondContact O-CA 3.44Å; I47-R50 WeakPolarHBondContact O-CB 3.42Å; I47-R50 PolarHBondContact O-N 2.67Å; R50-K53 PolarHBondContact O-N 2.87Å; R50-L54 PolarHBondContact O-N 2.97Å; R50-T150 PolarHBondContact NH2-OG1 3.41Å; R50-E156 IonicContact NH1-OE1 2.66Å
51E72.3Confident77.6Confident46 Ų4684.5 Ų84.522%0.21539%0.385CS..Hα-helixtrans-61.2-48176.6-170.3-17015200111.8F35 I47 A48 K53 L54 L55F35-E51 WeakPolarHBondContact CE2-OE1 3.49Å; F35-E51 WeakPolarHBondContact CE2-OE2 3.35Å; F35-E51 VanDerWaalsContact CZ-OE2 3.29Å; F35-E51 WeakPolarHBondContact CZ-OE2 3.4Å; I47-E51 PolarHBondContact O-N 3.01Å; A48-E51 PolarHBondContact O-N 3.44Å; E51-K53 VanDerWaalsContact C-N 3.27Å; E51-K53 PolarHBondContact O-N 3.32Å; E51-L54 WeakPolarHBondContact O-CB 3.49Å; E51-L54 PolarHBondContact O-N 3.29Å; E51-L54 VanDerWaalsContact O-N 3.13Å; E51-L55 HydrophobicContact CG-CD1 4.29Å; E51-L55 WeakPolarHBondContact O-CG 3.41Å; E51-L55 PolarHBondContact O-N 3.12Å
52I78.6Confident78.8Confident7 Ų780.8 Ų80.84%0.03637%0.365CS..Hα-helixtrans-59.2-36.4174.4-74.5162.2000112.2A48 M49 K56 V69 L78A48-I52 WeakPolarHBondContact O-CB 3.29Å; A48-I52 WeakPolarHBondContact O-CD1 3.43Å; A48-I52 VanDerWaalsContact O-CG1 3.26Å; A48-I52 WeakPolarHBondContact O-CG1 3.38Å; A48-I52 PolarHBondContact O-N 3.41Å; M49-I52 HydrophobicContact SD-CD1 4.27Å; I52-K56 HydrophobicContact CG2-CD 4.49Å; I52-K56 WeakPolarHBondContact O-CG 3.41Å; I52-K56 PolarHBondContact O-N 2.82Å; I52-V69 HydrophobicContact CD1-CG1 4.09Å; I52-V69 HydrophobicContact CD1-CG2 4.48Å; I52-V69 HydrophobicContact CG1-CG2 4.27Å; I52-V69 HydrophobicContact CG2-CG2 3.82Å; I52-L78 HydrophobicContact CD1-CD2 4.16Å; I52-L78 HydrophobicContact CG1-CD2 3.81Å
53K79.8Confident79.8Confident134 Ų13472.1 Ų72.158%0.58333%0.327SS*.Hα-helixtrans-68.5-44.1175.5-171.8-178.1174.6-176.80110.7M49 R50 E51 K56 Q57M49-K53 WeakPolarHBondContact O-CB 3.47Å; M49-K53 PolarHBondContact O-N 2.95Å; M49-K53 VanDerWaalsContact O-N 3.1Å; R50-K53 PolarHBondContact O-N 2.87Å; E51-K53 VanDerWaalsContact C-N 3.27Å; E51-K53 PolarHBondContact O-N 3.32Å; K53-K56 PolarHBondContact O-N 2.82Å; K53-Q57 WeakPolarHBondContact O-CG 3.15Å; K53-Q57 PolarHBondContact O-N 3.43Å
54L76.3Confident81Confident45 Ų4567.4 Ų67.424%0.23631%0.305CS..Hα-helixtrans-58.2-52.1177-162.670.1000111.3R50 E51 K56 Q57 L58 I122R50-L54 PolarHBondContact O-N 2.97Å; E51-L54 WeakPolarHBondContact O-CB 3.49Å; E51-L54 PolarHBondContact O-N 3.29Å; E51-L54 VanDerWaalsContact O-N 3.13Å; L54-K56 PolarHBondContact O-N 2.64Å; L54-Q57 PolarHBondContact O-N 2.8Å; L54-L58 HydrophobicContact CG-CD1 4.37Å; L54-L58 PolarHBondContact O-N 3.04Å; L54-I122 HydrophobicContact CD1-CD1 3.71Å; L54-I122 HydrophobicContact CD1-CG1 4.5Å; L54-I122 HydrophobicContact CD2-CD1 4Å; L54-I122 HydrophobicContact CG-CD1 3.9Å
55L79.4Confident82Confident18 Ų1867.7 Ų67.79%0.09431%0.305CS..Hα-helixtrans-60.7-23.1177.1-72.9172000114.2E51 L66 L78 F80 F145E51-L55 HydrophobicContact CG-CD1 4.29Å; E51-L55 WeakPolarHBondContact O-CG 3.41Å; E51-L55 PolarHBondContact O-N 3.12Å; L55-L66 HydrophobicContact CB-CB 4.44Å; L55-L66 HydrophobicContact CB-CD2 3.61Å; L55-L66 HydrophobicContact CD1-CD2 4.31Å; L55-L78 HydrophobicContact CD1-CD1 4.17Å; L55-F80 HydrophobicContact CD1-CZ 4.44Å; L55-F145 HydrophobicContact CD2-CB 3.99Å; L55-F145 HydrophobicContact CD2-CD2 4.13Å; L55-F145 HydrophobicContact CD2-CG 4.27Å
56K81.4Confident82.9Confident112 Ų11264.6 Ų64.649%0.48729%0.292SS..Hα-helixtrans-83.5-23.2173.5-78.2-178.8176.5-171.80113.6I52 K53 L54 L66I52-K56 HydrophobicContact CG2-CD 4.49Å; I52-K56 WeakPolarHBondContact O-CG 3.41Å; I52-K56 PolarHBondContact O-N 2.82Å; K53-K56 PolarHBondContact O-N 2.82Å; L54-K56 PolarHBondContact O-N 2.64Å; K56-L66 HydrophobicContact CG-CD2 4.14Å
57Q81.9Confident83.9Confident129 Ų12960 Ų6060%0.60327%0.274SS*.Hα-helixtrans-90.1-31.7179.1-67.1-177.8-86.800111.7K53 L54 R59K53-Q57 WeakPolarHBondContact O-CG 3.15Å; K53-Q57 PolarHBondContact O-N 3.43Å; L54-Q57 PolarHBondContact O-N 2.8Å; Q57-R59 PolarHBondContact O-N 3.46Å; Q57-R59 VanDerWaalsContact O-N 3.16Å
58L84.9Confident84.9Confident14 Ų1458 Ų587%0.07326%0.262CS..  trans-72.5104.1172.2-64.1175.9000111L54 L63 F116 H120 I122 F145L54-L58 HydrophobicContact CG-CD1 4.37Å; L54-L58 PolarHBondContact O-N 3.04Å; L58-L63 HydrophobicContact CB-CD1 4.14Å; L58-F116 HydrophobicContact CB-CE1 4.39Å; L58-F116 HydrophobicContact CD2-CD1 4.48Å; L58-F116 HydrophobicContact CD2-CE1 3.76Å; L58-H120 HydrophobicContact CD2-CB 4.22Å; L58-I122 HydrophobicContact CD1-CD1 3.65Å; L58-I122 HydrophobicContact CD2-CD1 3.63Å; L58-I122 HydrophobicContact CG-CD1 4.01Å; L58-F145 HydrophobicContact CD1-CD1 4.45Å; L58-F145 HydrophobicContact CD1-CE1 4.42Å
59R91.1Very high85.8Confident170 Ų17059.6 Ų59.664%0.64227%0.272SS*.  trans-133.8113.2173.7-72.3-177.2168.8-175.7-4.5109.6Q57 F116Q57-R59 PolarHBondContact O-N 3.46Å; Q57-R59 VanDerWaalsContact O-N 3.16Å; R59-F116 WeakPolarHBondContact O-CZ 3.5Å
60H94.9Very high86.4Confident50 Ų5055.8 Ų55.823%0.23126%0.255CS..  trans-152.2152179.9-178.9-100.6000107.6N62 L63 F116H60-N62 VanDerWaalsContact C-N 3.34Å; H60-N62 PolarHBondContact CE1-OD1 3.24Å; H60-N62 PolarHBondContact ND1-N 3.12Å; H60-N62 PolarHBondContact O-N 3.16Å; H60-L63 HydrophobicContact CB-CB 4.48Å; H60-L63 HydrophobicContact CB-CD1 4.1Å; H60-L63 HydrophobicContact CB-CG 3.98Å; H60-L63 PolarHBondContact O-N 2.96Å; H60-F116 HydrophobicContact CB-CB 4.41Å; H60-F116 HydrophobicContact CB-CD1 3.65Å; H60-F116 HydrophobicContact CB-CD2 3.89Å; H60-F116 HydrophobicContact CB-CE1 3.79Å; H60-F116 HydrophobicContact CB-CE2 4Å; H60-F116 HydrophobicContact CB-CG 3.71Å; H60-F116 HydrophobicContact CB-CZ 3.97Å; H60-F116 AromaticContact CD2-CD2 3.48Å; H60-F116 VanDerWaalsContact CD2-CD2 3.48Å; H60-F116 WeakPolarHBondContact CD2-CD2 3.48Å; H60-F116 AromaticContact CD2-CG 3.66Å; H60-F116 AromaticContact CG-CD2 3.88Å; H60-F116 AromaticContact CG-CG 3.68Å
61E95.6Very high87.1Confident68 Ų6853.5 Ų53.532%0.31825%0.248SC..THydrogen-bonded Turntrans-56.4-46.6-177.757-161.7-124.500112.6L63 K141 I306E61-L63 PolarHBondContact O-N 3.03Å; E61-K141 PolarHBondContact O-NZ 3.33Å; E61-I306 HydrophobicContact CB-CD1 3.61Å; E61-I306 HydrophobicContact CB-CG1 4.24Å; E61-I306 HydrophobicContact CG-CD1 3.86Å; E61-I306 VanDerWaalsContact OE1-CD1 3.24Å; E61-I306 WeakPolarHBondContact OE1-CD1 3.5Å
62N97.4Very high87.7Confident0 Ų056.1 Ų56.10%026%0.259CS..THydrogen-bonded Turntrans-82.217.3-179.5-49.5120.9000115.1H60 Q109 V140 K141 L142H60-N62 VanDerWaalsContact C-N 3.34Å; H60-N62 PolarHBondContact CE1-OD1 3.24Å; H60-N62 PolarHBondContact ND1-N 3.12Å; H60-N62 PolarHBondContact O-N 3.16Å; N62-Q109 WeakPolarHBondContact CB-O 3.39Å; N62-Q109 WeakPolarHBondContact ND2-CB 2.98Å; N62-Q109 PolarHBondContact ND2-OE1 3.44Å; N62-Q109 PolarHBondContact OD1-O 3.23Å; N62-V140 WeakPolarHBondContact CA-O 3.23Å; N62-V140 WeakPolarHBondContact CB-O 3.49Å; N62-V140 PolarHBondContact ND2-O 2.85Å; N62-V140 VanDerWaalsContact ND2-O 3.16Å; N62-K141 CarbonylContact O-C 3.45Å; N62-K141 WeakPolarHBondContact O-CA 3.4Å; N62-L142 PolarHBondContact O-N 3.49Å
63L95.5Very high88Confident4 Ų465.1 Ų65.12%0.02130%0.298CS..BIsolated β-bridgetrans-114.3149.2171.4-61.5-171.6000110.9L58 H60 E61 N65 F116 K141 L142 F145L58-L63 HydrophobicContact CB-CD1 4.14Å; H60-L63 HydrophobicContact CB-CB 4.48Å; H60-L63 HydrophobicContact CB-CD1 4.1Å; H60-L63 HydrophobicContact CB-CG 3.98Å; H60-L63 PolarHBondContact O-N 2.96Å; E61-L63 PolarHBondContact O-N 3.03Å; L63-N65 PolarHBondContact O-N 2.92Å; L63-F116 HydrophobicContact CD1-CD1 3.78Å; L63-F116 HydrophobicContact CD1-CE1 3.9Å; L63-K141 PolarHBondContact O-NZ 3.13Å; L63-L142 HydrophobicContact CD2-CB 3.83Å; L63-L142 HydrophobicContact CD2-CD1 3.99Å; L63-L142 HydrophobicContact CD2-CG 4.29Å; L63-F145 HydrophobicContact CD1-CZ 4.19Å; L63-F145 HydrophobicContact CD2-CE2 4.1Å; L63-F145 HydrophobicContact CD2-CZ 3.61Å; L63-F145 HydrophobicContact CG-CZ 4.45Å
64V93.1Very high87.9Confident17 Ų1763.9 Ų63.910%0.10329%0.292CS..  trans-72.1123.3172.573.60000110.9F80 E81 V83 L133 L142 C143V64-F80 HydrophobicContact CG1-CD1 3.97Å; V64-F80 HydrophobicContact CG1-CE1 4.29Å; V64-F80 HydrophobicContact CG2-CB 4.04Å; V64-F80 HydrophobicContact CG2-CD1 4.31Å; V64-F80 HydrophobicContact CG2-CG 4.49Å; V64-E81 HydrophobicContact CG2-CG 3.92Å; V64-V83 HydrophobicContact CG2-CG2 4.38Å; V64-L133 HydrophobicContact CB-CD1 4.46Å; V64-L133 HydrophobicContact CG2-CD1 4.21Å; V64-L142 WeakPolarHBondContact CG1-O 3.16Å; V64-L142 PolarHBondContact N-O 2.84Å; V64-C143 HydrophobicContact CB-CB 4.16Å; V64-C143 HydrophobicContact CG1-CB 3.57Å
65N90.4Very high88Confident55 Ų5566.9 Ų66.929%0.29430%0.3SS..  trans-80.8122.3-174.4-169.10.9000112.3L63 L67 F80 E81L63-N65 PolarHBondContact O-N 2.92Å; N65-L67 HydrophobicContact CB-CD2 4.41Å; N65-L67 PolarHBondContact O-N 3.12Å; N65-F80 WeakPolarHBondContact O-CA 3.43Å; N65-E81 HydrophobicContact CB-CG 4.22Å; N65-E81 VanDerWaalsContact CB-OE1 3.23Å; N65-E81 WeakPolarHBondContact CB-OE1 3.46Å; N65-E81 PolarHBondContact N-OE1 3.2Å; N65-E81 PolarHBondContact O-N 3.23Å; N65-E81 VanDerWaalsContact O-N 3.12Å
66L91.4Very high88.2Confident7 Ų767.9 Ų67.94%0.03730%0.303CS..EExtended strand (participates in β ladder)trans-74.7102.9169.817963.8000109.9L55 K56 V69 L78 F80L55-L66 HydrophobicContact CB-CB 4.44Å; L55-L66 HydrophobicContact CB-CD2 3.61Å; L55-L66 HydrophobicContact CD1-CD2 4.31Å; K56-L66 HydrophobicContact CG-CD2 4.14Å; L66-V69 HydrophobicContact CD1-CG2 4.38Å; L66-V69 HydrophobicContact CD2-CG2 4.05Å; L66-L78 HydrophobicContact CD1-CB 4Å; L66-L78 HydrophobicContact CD1-CD2 4.39Å; L66-F80 HydrophobicContact CB-CD1 4.11Å; L66-F80 HydrophobicContact CB-CE1 3.95Å; L66-F80 HydrophobicContact CD1-CD1 4.14Å; L66-F80 HydrophobicContact CD1-CE1 3.89Å; L66-F80 HydrophobicContact CD1-CZ 4.09Å; L66-F80 HydrophobicContact CG-CE1 4.46Å
67L91.1Very high88.5Confident59 Ų5963.9 Ų63.931%0.30929%0.285SS..EExtended strand (participates in β ladder)trans-74.7-50.2-176.2-54.7179.6000111.9V30 N65 V79 E81V30-L67 HydrophobicContact CG1-CD1 3.83Å; N65-L67 HydrophobicContact CB-CD2 4.41Å; N65-L67 PolarHBondContact O-N 3.12Å; L67-V79 WeakPolarHBondContact CA-O 3.1Å; L67-V79 WeakPolarHBondContact CB-O 3.42Å; L67-V79 PolarHBondContact N-O 3.46Å; L67-E81 HydrophobicContact CD1-CB 4.29Å; L67-E81 HydrophobicContact CD2-CB 4.44Å; L67-E81 HydrophobicContact CG-CB 4.49Å
68E90.2Very high88.8Confident53 Ų5357.9 Ų57.925%0.24826%0.257CS..EExtended strand (participates in β ladder)trans-151.6165.217669.3174.2-129.700112.9K3 Y4 C70 V79K3-E68 VanDerWaalsContact CE-OE1 3.27Å; K3-E68 WeakPolarHBondContact CE-OE1 3.3Å; K3-E68 WeakPolarHBondContact CE-OE2 3.39Å; K3-E68 IonicContact NZ-OE1 2.69Å; K3-E68 PolarHBondContact NZ-OE1 3.45Å; K3-E68 IonicContact NZ-OE2 3.52Å; K3-E68 PolarHBondContact NZ-OE2 3.4Å; Y4-E68 VanDerWaalsContact OH-CD 3.31Å; Y4-E68 PolarHBondContact OH-OE1 3.49Å; E68-C70 PolarHBondContact OE1-SG 3.06Å; E68-V79 HydrophobicContact CG-CB 3.68Å; E68-V79 HydrophobicContact CG-CG1 4.19Å; E68-V79 HydrophobicContact CG-CG2 3.79Å; E68-V79 PolarHBondContact N-O 3.44Å; E68-V79 WeakPolarHBondContact O-CB 3.45Å; E68-V79 PolarHBondContact O-N 3.37Å
69V89.6Confident89.1Confident37 Ų3757.2 Ų57.222%0.22425%0.254CS..EExtended strand (participates in β ladder)trans-115.3117.9169.6177.40000108.4I52 L66 W76 L78I52-V69 HydrophobicContact CD1-CG1 4.09Å; I52-V69 HydrophobicContact CD1-CG2 4.48Å; I52-V69 HydrophobicContact CG1-CG2 4.27Å; I52-V69 HydrophobicContact CG2-CG2 3.82Å; L66-V69 HydrophobicContact CD1-CG2 4.38Å; L66-V69 HydrophobicContact CD2-CG2 4.05Å; V69-W76 HydrophobicContact CG1-CE3 3.69Å; V69-W76 HydrophobicContact CG1-CZ3 4.03Å; V69-L78 HydrophobicContact CG1-CD2 4.22Å; V69-L78 HydrophobicContact CG2-CD2 3.79Å
70C89Confident89.2Confident13 Ų1350.4 Ų50.49%0.08823%0.229CC..EExtended strand (participates in β ladder)trans-99.2154.8177.6-108.80000110.8M1 E68 Y77 V79M1-C70 HydrophobicContact CG-CB 3.87Å; M1-C70 PolarHBondContact N-SG 2.69Å; M1-C70 HydrophobicContact SD-CB 3.57Å; M1-C70 VanDerWaalsContact SD-CB 3.57Å; E68-C70 PolarHBondContact OE1-SG 3.06Å; C70-Y77 PolarHBondContact N-O 2.87Å; C70-Y77 PolarHBondContact O-N 2.62Å; C70-V79 HydrophobicContact CB-CG2 4.35Å
71K84.9Confident89.1Confident86 Ų8648.8 Ų48.837%0.37422%0.221SC..EExtended strand (participates in β ladder)trans-131.5141.8170.3-167.4173.7-175.6170.30110.1D39 K73 R75 W76D39-K71 IonicContact OD1-NZ 3.61Å; D39-K71 PolarHBondContact OD1-NZ 3.2Å; D39-K71 IonicContact OD2-NZ 3.4Å; D39-K71 PolarHBondContact OD2-NZ 2.84Å; K71-K73 WeakPolarHBondContact CE-O 3.2Å; K71-R75 WeakPolarHBondContact CG-O 3.5Å; K71-W76 HydrophobicContact CB-CE3 4.15Å; K71-W76 HydrophobicContact CB-CZ3 4.4Å; K71-W76 HydrophobicContact CD-CD2 4.19Å; K71-W76 HydrophobicContact CD-CE3 4.27Å; K71-W76 HydrophobicContact CD-CH2 4.1Å; K71-W76 HydrophobicContact CD-CZ2 3.97Å; K71-W76 HydrophobicContact CD-CZ3 4.24Å; K71-W76 HydrophobicContact CG-CD2 4.29Å; K71-W76 HydrophobicContact CG-CE3 4.33Å
72K85.3Confident89.1Confident101 Ų10147.1 Ų47.144%0.43921%0.213SC..EExtended strand (participates in β ladder)trans-144119.8172-164.7176.9-173.1176.60109.3M1 K74 R75 Y77M1-K72 HydrophobicContact CB-CB 4.39Å; M1-K72 HydrophobicContact CB-CD 4.05Å; M1-K72 HydrophobicContact CG-CB 4.02Å; M1-K72 HydrophobicContact CG-CD 4.42Å; K72-K74 PolarHBondContact O-N 3.01Å; K72-R75 PolarHBondContact N-O 2.93Å; K72-R75 PolarHBondContact O-N 3.14Å; K72-R75 VanDerWaalsContact O-N 3.13Å; K72-Y77 HydrophobicContact CB-CD2 4.38Å; K72-Y77 HydrophobicContact CB-CE2 3.81Å
73K83.9Confident88.9Confident196 Ų19648 Ų4885%0.85222%0.218SC*.THydrogen-bonded Turntrans52.2-129.1-167.6-55.5-175.4178.6-1750110K71K71-K73 WeakPolarHBondContact CE-O 3.2Å
74K78.8Confident88.8Confident107 Ų10750.8 Ų50.847%0.46523%0.233SC..THydrogen-bonded Turntrans-88.24.1177.8-55.3-162.5-171.2-168.10114.9D39 D40 K72D39-K74 HydrophobicContact CB-CB 4.26Å; D39-K74 VanDerWaalsContact CB-O 3.26Å; D39-K74 WeakPolarHBondContact CB-O 3.48Å; D39-K74 PolarHBondContact N-O 2.71Å; D40-K74 WeakPolarHBondContact OD1-CE 3.5Å; D40-K74 IonicContact OD1-NZ 2.66Å; D40-K74 PolarHBondContact OD1-NZ 2.85Å; D40-K74 WeakPolarHBondContact OD2-CD 3.26Å; D40-K74 IonicContact OD2-NZ 2.66Å; D40-K74 PolarHBondContact OD2-NZ 2.83Å; K72-K74 PolarHBondContact O-N 3.01Å
75R78.6Confident88.9Confident108 Ų10852.4 Ų52.441%0.40824%0.24SC..EExtended strand (participates in β ladder)trans-103.3140-177.2-68174175.3152.8-1.9111.4E37 K71 K72 Y77E37-R75 IonicContact OE1-CZ 2.64Å; E37-R75 IonicContact OE1-NE 3.84Å; E37-R75 PolarHBondContact OE1-NE 3.13Å; E37-R75 IonicContact OE1-NH2 3.71Å; E37-R75 PolarHBondContact OE1-NH2 3.33Å; K71-R75 WeakPolarHBondContact CG-O 3.5Å; K72-R75 PolarHBondContact N-O 2.93Å; K72-R75 PolarHBondContact O-N 3.14Å; K72-R75 VanDerWaalsContact O-N 3.13Å; R75-Y77 HydrophobicContact CB-CE2 3.7Å
76W82.3Confident89.2Confident40 Ų4050.9 Ų50.915%0.15223%0.232CC..EExtended strand (participates in β ladder)trans-97.1157.3172.6-64.490.4000110F35 D39 M49 V69 K71F35-W76 HydrophobicContact CB-CB 4.22Å; F35-W76 HydrophobicContact CD1-CB 4.28Å; F35-W76 PolarHBondContact N-O 2.94Å; F35-W76 CarbonylContact O-C 3.47Å; F35-W76 WeakPolarHBondContact O-CA 3.14Å; F35-W76 WeakPolarHBondContact O-CB 3.26Å; F35-W76 PolarHBondContact O-N 3.12Å; D39-W76 PolarHBondContact OD1-NE1 2.97Å; M49-W76 HydrophobicContact SD-CH2 4.27Å; V69-W76 HydrophobicContact CG1-CE3 3.69Å; V69-W76 HydrophobicContact CG1-CZ3 4.03Å; K71-W76 HydrophobicContact CB-CE3 4.15Å; K71-W76 HydrophobicContact CB-CZ3 4.4Å; K71-W76 HydrophobicContact CD-CD2 4.19Å; K71-W76 HydrophobicContact CD-CE3 4.27Å; K71-W76 HydrophobicContact CD-CH2 4.1Å; K71-W76 HydrophobicContact CD-CZ2 3.97Å; K71-W76 HydrophobicContact CD-CZ3 4.24Å; K71-W76 HydrophobicContact CG-CD2 4.29Å; K71-W76 HydrophobicContact CG-CE3 4.33Å
77Y87.6Confident89.5Confident27 Ų2750.6 Ų50.611%0.10623%0.231CC..EExtended strand (participates in β ladder)trans-143.4117.2-176.7-66.6-91.4000108.4M1 M19 I32 K34 C70 K72 R75M1-Y77 HydrophobicContact CE-CD1 3.78Å; M1-Y77 HydrophobicContact CE-CD2 4.46Å; M1-Y77 HydrophobicContact CE-CE1 4.1Å; M1-Y77 HydrophobicContact CE-CG 3.98Å; M1-Y77 HydrophobicContact CG-CD2 4.04Å; M1-Y77 HydrophobicContact CG-CE2 4.48Å; M1-Y77 HydrophobicContact CG-CG 4.31Å; M1-Y77 HydrophobicContact SD-CD1 4.17Å; M1-Y77 HydrophobicContact SD-CD2 4.1Å; M1-Y77 HydrophobicContact SD-CG 3.74Å; M19-Y77 HydrophobicContact CE-CD1 4.48Å; M19-Y77 HydrophobicContact CE-CE1 4.34Å; I32-Y77 HydrophobicContact CG2-CD1 3.92Å; I32-Y77 HydrophobicContact CG2-CG 4.4Å; K34-Y77 HydrophobicContact CB-CD1 4.48Å; K34-Y77 HydrophobicContact CB-CE1 4.25Å; K34-Y77 HydrophobicContact CG-CE1 4.21Å; C70-Y77 PolarHBondContact N-O 2.87Å; C70-Y77 PolarHBondContact O-N 2.62Å; K72-Y77 HydrophobicContact CB-CD2 4.38Å; K72-Y77 HydrophobicContact CB-CE2 3.81Å; R75-Y77 HydrophobicContact CB-CE2 3.7Å
78L88.7Confident89.7Confident4 Ų450.4 Ų50.42%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-89.8122.6176-57.1-177.5000108.1I32 K33 F35 I52 L55 L66 V69 F80I32-L78 WeakPolarHBondContact CA-O 3.27Å; K33-L78 PolarHBondContact N-O 2.89Å; K33-L78 PolarHBondContact O-N 2.86Å; F35-L78 HydrophobicContact CB-CD1 4.44Å; F35-L78 HydrophobicContact CB-CG 4.06Å; F35-L78 HydrophobicContact CD2-CD1 3.73Å; F35-L78 HydrophobicContact CD2-CG 4.26Å; F35-L78 HydrophobicContact CE2-CD1 4.4Å; F35-L78 HydrophobicContact CG-CD1 4.3Å; F35-L78 HydrophobicContact CG-CG 4.35Å; I52-L78 HydrophobicContact CD1-CD2 4.16Å; I52-L78 HydrophobicContact CG1-CD2 3.81Å; L55-L78 HydrophobicContact CD1-CD1 4.17Å; L66-L78 HydrophobicContact CD1-CB 4Å; L66-L78 HydrophobicContact CD1-CD2 4.39Å; V69-L78 HydrophobicContact CG1-CD2 4.22Å; V69-L78 HydrophobicContact CG2-CD2 3.79Å; L78-F80 HydrophobicContact CB-CD2 4.21Å; L78-F80 HydrophobicContact CB-CE2 3.45Å; L78-F80 VanDerWaalsContact CB-CE2 3.45Å; L78-F80 HydrophobicContact CB-CZ 3.9Å; L78-F80 HydrophobicContact CD1-CE2 4.22Å; L78-F80 HydrophobicContact CD1-CZ 4.05Å; L78-F80 HydrophobicContact CG-CE2 4.49Å
79V92.3Very high90Very high0 Ų050.8 Ų50.80%023%0.234CC..EExtended strand (participates in β ladder)trans-106.9107.1-178.1-175.60000108.8Y4 V30 I32 L67 E68 C70Y4-V79 HydrophobicContact CE1-CG1 4.36Å; Y4-V79 HydrophobicContact CE2-CG2 4.19Å; V30-V79 HydrophobicContact CB-CG1 3.81Å; V30-V79 HydrophobicContact CG1-CG1 4.06Å; V30-V79 HydrophobicContact CG2-CG1 3.86Å; I32-V79 HydrophobicContact CD1-CG2 4.14Å; I32-V79 HydrophobicContact CG1-CG1 4.24Å; I32-V79 HydrophobicContact CG1-CG2 4.13Å; I32-V79 HydrophobicContact CG2-CG2 4.37Å; L67-V79 WeakPolarHBondContact CA-O 3.1Å; L67-V79 WeakPolarHBondContact CB-O 3.42Å; L67-V79 PolarHBondContact N-O 3.46Å; E68-V79 HydrophobicContact CG-CB 3.68Å; E68-V79 HydrophobicContact CG-CG1 4.19Å; E68-V79 HydrophobicContact CG-CG2 3.79Å; E68-V79 PolarHBondContact N-O 3.44Å; E68-V79 WeakPolarHBondContact O-CB 3.45Å; E68-V79 PolarHBondContact O-N 3.37Å; C70-V79 HydrophobicContact CB-CG2 4.35Å
80F93.2Very high90.4Very high26 Ų2650 Ų5011%0.11423%0.228CC..EExtended strand (participates in β ladder)trans-99.4164.2178.4-62-84.2000111V30 A31 K33 L55 V64 N65 L66 L78V30-F80 WeakPolarHBondContact CA-O 3.37Å; V30-F80 VanDerWaalsContact CB-O 3.3Å; V30-F80 WeakPolarHBondContact CB-O 3.31Å; A31-F80 HydrophobicContact CB-CB 4.45Å; A31-F80 PolarHBondContact N-O 2.85Å; A31-F80 PolarHBondContact O-N 2.88Å; K33-F80 HydrophobicContact CB-CE2 4.27Å; L55-F80 HydrophobicContact CD1-CZ 4.44Å; V64-F80 HydrophobicContact CG1-CD1 3.97Å; V64-F80 HydrophobicContact CG1-CE1 4.29Å; V64-F80 HydrophobicContact CG2-CB 4.04Å; V64-F80 HydrophobicContact CG2-CD1 4.31Å; V64-F80 HydrophobicContact CG2-CG 4.49Å; N65-F80 WeakPolarHBondContact O-CA 3.43Å; L66-F80 HydrophobicContact CB-CD1 4.11Å; L66-F80 HydrophobicContact CB-CE1 3.95Å; L66-F80 HydrophobicContact CD1-CD1 4.14Å; L66-F80 HydrophobicContact CD1-CE1 3.89Å; L66-F80 HydrophobicContact CD1-CZ 4.09Å; L66-F80 HydrophobicContact CG-CE1 4.46Å; L78-F80 HydrophobicContact CB-CD2 4.21Å; L78-F80 HydrophobicContact CB-CE2 3.45Å; L78-F80 VanDerWaalsContact CB-CE2 3.45Å; L78-F80 HydrophobicContact CB-CZ 3.9Å; L78-F80 HydrophobicContact CD1-CE2 4.22Å; L78-F80 HydrophobicContact CD1-CZ 4.05Å; L78-F80 HydrophobicContact CG-CE2 4.49Å
81E93Very high90.8Very high16 Ų1650 Ų508%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-60.5144.216263.8-167.3160.100111.2R28 V64 N65 L67 V83 K141R28-E81 VanDerWaalsContact NH2-CB 3.34Å; R28-E81 IonicContact NH2-OE2 2.78Å; V64-E81 HydrophobicContact CG2-CG 3.92Å; N65-E81 HydrophobicContact CB-CG 4.22Å; N65-E81 VanDerWaalsContact CB-OE1 3.23Å; N65-E81 WeakPolarHBondContact CB-OE1 3.46Å; N65-E81 PolarHBondContact N-OE1 3.2Å; N65-E81 PolarHBondContact O-N 3.23Å; N65-E81 VanDerWaalsContact O-N 3.12Å; L67-E81 HydrophobicContact CD1-CB 4.29Å; L67-E81 HydrophobicContact CD2-CB 4.44Å; L67-E81 HydrophobicContact CG-CB 4.49Å; E81-V83 HydrophobicContact CG-CG2 4.27Å; E81-K141 WeakPolarHBondContact OE1-CD 3.48Å; E81-K141 VanDerWaalsContact OE1-CE 3.23Å; E81-K141 WeakPolarHBondContact OE1-CE 3.36Å; E81-K141 IonicContact OE1-NZ 2.69Å; E81-K141 PolarHBondContact OE1-NZ 2.96Å
82F94.3Very high91.4Very high34 Ų3452.2 Ų52.215%0.14924%0.237CC..PPolyproline II helixtrans-82.9124.5170.8-176.7-95000108.9V10 K20 I29 A31V10-F82 HydrophobicContact CG2-CE2 4.01Å; K20-F82 HydrophobicContact CD-CD2 4.26Å; K20-F82 HydrophobicContact CD-CE2 3.71Å; K20-F82 HydrophobicContact CD-CZ 3.91Å; K20-F82 VanDerWaalsContact CE-CE1 3.49Å; K20-F82 HydrophobicContact CG-CD2 3.98Å; K20-F82 HydrophobicContact CG-CE2 3.89Å; I29-F82 HydrophobicContact CB-CB 4.24Å; I29-F82 HydrophobicContact CG2-CB 3.81Å; I29-F82 HydrophobicContact CG2-CD1 4.05Å; I29-F82 HydrophobicContact CG2-CD2 4.35Å; I29-F82 HydrophobicContact CG2-CG 3.78Å; A31-F82 HydrophobicContact CB-CD2 4.46Å
83V94.7Very high92Very high17 Ų1753.1 Ų53.110%0.10325%0.246CC..  trans-107.5153.3171.7-171.80000107.4V64 E81 L133 V134 K141V64-V83 HydrophobicContact CG2-CG2 4.38Å; E81-V83 HydrophobicContact CG-CG2 4.27Å; V83-L133 HydrophobicContact CB-CB 3.72Å; V83-L133 HydrophobicContact CB-CD1 3.9Å; V83-L133 HydrophobicContact CB-CG 4.45Å; V83-L133 HydrophobicContact CG1-CB 3.52Å; V83-L133 HydrophobicContact CG2-CB 4.26Å; V83-L133 HydrophobicContact CG2-CD1 3.94Å; V83-V134 VanDerWaalsContact CG1-C 3.44Å; V83-V134 VanDerWaalsContact CG1-O 3.3Å; V83-V134 WeakPolarHBondContact CG1-O 3.36Å; V83-K141 HydrophobicContact CG2-CB 4.22Å; V83-K141 HydrophobicContact CG2-CD 3.67Å
84D93.6Very high92.6Very high64 Ų6448.5 Ų48.534%0.34223%0.226SC..  trans-77.9-49.3-152.9-166.672.8000114.3V134 Q136D84-V134 PolarHBondContact N-O 3.08Å; D84-Q136 HydrophobicContact CB-CG 3.81Å; D84-Q136 VanDerWaalsContact CG-CG 3.41Å; D84-Q136 WeakPolarHBondContact OD1-CG 3.37Å; D84-Q136 PolarHBondContact OD1-NE2 3.12Å
85H94.4Very high93.4Very high51 Ų5147.2 Ų47.224%0.23623%0.229CC..EExtended strand (participates in β ladder)trans-147.4-174.2179.850.8-86.3000109.9D89 D90 L133 V134H85-D89 HydrophobicContact CB-CB 4.33Å; H85-D90 IonicContact CD2-OD1 2.66Å; H85-D90 IonicContact NE2-OD1 2.59Å; H85-L133 CarbonylContact O-C 3.6Å; H85-L133 WeakPolarHBondContact O-CA 3.34Å; H85-V134 PolarHBondContact N-O 3.23Å; H85-V134 PolarHBondContact O-N 2.85Å
86T96.7Very high94.3Very high23 Ų2349 Ų4914%0.14125%0.246CC..EExtended strand (participates in β ladder)trans-121.4162.8177.670.60000111.7L88 D89 D90 I132 L133T86-L88 PolarHBondContact O-N 3.2Å; T86-L88 WeakPolarHBondContact OG1-CB 3.44Å; T86-L88 PolarHBondContact OG1-N 3.35Å; T86-D89 WeakPolarHBondContact CB-OD2 3.17Å; T86-D89 PolarHBondContact N-OD2 3.33Å; T86-D89 WeakPolarHBondContact O-CB 3.44Å; T86-D89 PolarHBondContact O-N 2.69Å; T86-D89 VanDerWaalsContact OG1-CG 3.23Å; T86-D89 PolarHBondContact OG1-N 2.73Å; T86-D89 PolarHBondContact OG1-OD2 2.94Å; T86-D90 PolarHBondContact O-N 2.97Å; T86-I132 WeakPolarHBondContact CA-O 3.39Å; T86-L133 HydrophobicContact CG2-CD2 3.74Å
87I97.7Very high95Very high0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-60.3-29.4171.1-65.7-173.3000111.1D89 D90 L91 Y106 I110 P129 I132 V134 M195I87-D89 PolarHBondContact O-N 2.81Å; I87-D90 PolarHBondContact O-N 2.73Å; I87-L91 HydrophobicContact CG2-CD1 4.01Å; I87-L91 HydrophobicContact CG2-CG 4.32Å; I87-L91 VanDerWaalsContact O-CG 3.32Å; I87-L91 WeakPolarHBondContact O-CG 3.29Å; I87-L91 PolarHBondContact O-N 3.45Å; I87-Y106 HydrophobicContact CD1-CD2 3.58Å; I87-Y106 HydrophobicContact CD1-CE2 4.22Å; I87-Y106 HydrophobicContact CD1-CG 4.04Å; I87-Y106 HydrophobicContact CG1-CD2 3.89Å; I87-Y106 HydrophobicContact CG1-CE2 4Å; I87-I110 HydrophobicContact CD1-CD1 4.03Å; I87-P129 HydrophobicContact CB-CB 4.34Å; I87-P129 HydrophobicContact CG2-CB 4.22Å; I87-I132 HydrophobicContact CD1-CB 3.95Å; I87-I132 HydrophobicContact CD1-CD1 4.44Å; I87-I132 HydrophobicContact CD1-CG2 3.36Å; I87-I132 HydrophobicContact CG1-CB 4.16Å; I87-I132 HydrophobicContact CG1-CG2 3.87Å; I87-I132 PolarHBondContact N-O 3.23Å; I87-V134 HydrophobicContact CG1-CG2 3.65Å; I87-M195 HydrophobicContact CD1-SD 3.86Å; I87-M195 HydrophobicContact CG2-CG 4.02Å; I87-M195 HydrophobicContact CG2-SD 3.8Å
88L96.1Very high95.5Very high55 Ų5547.4 Ų47.429%0.28825%0.246SC..Hα-helixtrans-62.3-30.6172.4-176.959.4000112.4T86 K92 P129 E130T86-L88 PolarHBondContact O-N 3.2Å; T86-L88 WeakPolarHBondContact OG1-CB 3.44Å; T86-L88 PolarHBondContact OG1-N 3.35Å; L88-K92 VanDerWaalsContact O-CG 3.3Å; L88-K92 WeakPolarHBondContact O-CG 3.37Å; L88-K92 PolarHBondContact O-N 3.4Å; L88-K92 VanDerWaalsContact O-N 3.11Å; L88-P129 HydrophobicContact CB-CB 3.83Å; L88-P129 HydrophobicContact CD1-CB 4.49Å; L88-P129 PolarHBondContact N-O 3.43Å; L88-E130 HydrophobicContact CD2-CG 3.56Å
89D96.4Very high96Very high62 Ų6252.9 Ų52.933%0.33228%0.276SS..Hα-helixtrans-78.3-35.8179-54.8-51.3000111.8H85 T86 I87 L91 K92 L93H85-D89 HydrophobicContact CB-CB 4.33Å; T86-D89 WeakPolarHBondContact CB-OD2 3.17Å; T86-D89 PolarHBondContact N-OD2 3.33Å; T86-D89 WeakPolarHBondContact O-CB 3.44Å; T86-D89 PolarHBondContact O-N 2.69Å; T86-D89 VanDerWaalsContact OG1-CG 3.23Å; T86-D89 PolarHBondContact OG1-N 2.73Å; T86-D89 PolarHBondContact OG1-OD2 2.94Å; I87-D89 PolarHBondContact O-N 2.81Å; D89-L91 VanDerWaalsContact C-N 3.35Å; D89-K92 PolarHBondContact O-N 2.91Å; D89-K92 IonicContact OD1-NZ 2.66Å; D89-K92 PolarHBondContact OD1-NZ 2.93Å; D89-L93 PolarHBondContact O-N 2.81Å; D89-L93 VanDerWaalsContact O-N 3.13Å
90D98Very high96.2Very high20 Ų2056.6 Ų56.611%0.10729%0.29CS..Hα-helixtrans-60.2-44.3167.7-73.2-16000110.9H85 T86 I87 K92 L93 F94 L98 Y106H85-D90 IonicContact CD2-OD1 2.66Å; H85-D90 IonicContact NE2-OD1 2.59Å; T86-D90 PolarHBondContact O-N 2.97Å; I87-D90 PolarHBondContact O-N 2.73Å; D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 PolarHBondContact O-N 3.1Å; D90-L93 WeakPolarHBondContact O-CB 3.22Å; D90-L93 PolarHBondContact O-N 3.29Å; D90-L93 VanDerWaalsContact O-N 3.08Å; D90-F94 VanDerWaalsContact O-CD2 3.29Å; D90-F94 WeakPolarHBondContact O-CD2 3.23Å; D90-F94 PolarHBondContact O-N 3.35Å; D90-L98 HydrophobicContact CB-CD1 4.42Å; D90-L98 HydrophobicContact CB-CD2 3.86Å; D90-Y106 VanDerWaalsContact OD2-CE2 3.24Å; D90-Y106 WeakPolarHBondContact OD2-CE2 3.49Å; D90-Y106 PolarHBondContact OD2-OH 3.13Å
91L97.3Very high96.5Very high13 Ų1361.5 Ų61.57%0.06831%0.313CS..Hα-helixtrans-67.1-29.1178.6-68.4168.3000113.6I87 D89 F94 P95 L98 P129 E194I87-L91 HydrophobicContact CG2-CD1 4.01Å; I87-L91 HydrophobicContact CG2-CG 4.32Å; I87-L91 VanDerWaalsContact O-CG 3.32Å; I87-L91 WeakPolarHBondContact O-CG 3.29Å; I87-L91 PolarHBondContact O-N 3.45Å; D89-L91 VanDerWaalsContact C-N 3.35Å; L91-F94 CarbonylContact O-C 3.48Å; L91-F94 VanDerWaalsContact O-C 3.32Å; L91-P95 WeakPolarHBondContact O-CA 3.39Å; L91-L98 HydrophobicContact CD2-CD1 4.38Å; L91-L98 HydrophobicContact CD2-CD2 4.37Å; L91-L98 HydrophobicContact CD2-CG 4.05Å; L91-P129 HydrophobicContact CD1-CB 4.12Å; L91-P129 HydrophobicContact CD1-CG 4.05Å; L91-E194 HydrophobicContact CD1-CG 4.07Å
92K96.5Very high96.7Very high132 Ų13263 Ų6357%0.57432%0.324SS*.Hα-helixtrans-69-34.6169.6-70.2164.1-162.9147.40112.2L88 D89 D90L88-K92 VanDerWaalsContact O-CG 3.3Å; L88-K92 WeakPolarHBondContact O-CG 3.37Å; L88-K92 PolarHBondContact O-N 3.4Å; L88-K92 VanDerWaalsContact O-N 3.11Å; D89-K92 PolarHBondContact O-N 2.91Å; D89-K92 IonicContact OD1-NZ 2.66Å; D89-K92 PolarHBondContact OD1-NZ 2.93Å; D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 PolarHBondContact O-N 3.1Å
93L97.6Very high96.9Very high120 Ų12061.4 Ų61.463%0.62832%0.317SS*.Hα-helixtrans-76.5-33178.4-177.359.5000111.8D89 D90 P95D89-L93 PolarHBondContact O-N 2.81Å; D89-L93 VanDerWaalsContact O-N 3.13Å; D90-L93 WeakPolarHBondContact O-CB 3.22Å; D90-L93 PolarHBondContact O-N 3.29Å; D90-L93 VanDerWaalsContact O-N 3.08Å; L93-P95 VanDerWaalsContact C-CD 3.47Å; L93-P95 WeakPolarHBondContact O-CD 3.4Å
94F97.4Very high97.1Very high100 Ų10061.3 Ų61.344%0.43932%0.315SS..  trans-121.271.3-179-56.6-70.8000111D90 L91 N96 G97 L98D90-F94 VanDerWaalsContact O-CD2 3.29Å; D90-F94 WeakPolarHBondContact O-CD2 3.23Å; D90-F94 PolarHBondContact O-N 3.35Å; L91-F94 CarbonylContact O-C 3.48Å; L91-F94 VanDerWaalsContact O-C 3.32Å; F94-N96 PolarHBondContact O-N 2.8Å; F94-G97 PolarHBondContact O-N 3.22Å; F94-L98 HydrophobicContact CB-CD2 3.86Å; F94-L98 HydrophobicContact CD2-CD2 3.67Å; F94-L98 HydrophobicContact CG-CD2 4.13Å
95P95.2Very high97.3Very high80 Ų8060.3 Ų60.352%0.51931%0.308SS..THydrogen-bonded Turntrans-67.7-3.2-17228.4-37.6000115.2L91 L93L91-P95 WeakPolarHBondContact O-CA 3.39Å; L93-P95 VanDerWaalsContact C-CD 3.47Å; L93-P95 WeakPolarHBondContact O-CD 3.4Å
96N96.8Very high97.6Very high146 Ų14659 Ų5978%0.78130%0.301SS*.THydrogen-bonded Turntrans-102.54.7174.6-62.6-37.5000112.8F94F94-N96 PolarHBondContact O-N 2.8Å
97G97.4Very high97.7Very high17 Ų1757.9 Ų57.918%0.17529%0.294CS..  trans104.6164.2-173.100000113.7F94F94-G97 PolarHBondContact O-N 3.22Å
98L98.5Very high97.7Very high15 Ų1558.5 Ų58.58%0.07930%0.297CS..  trans-93.8156.2-178.8-51.9177.2000111.4D90 L91 F94 Y100 V102 V103 Y106 M195D90-L98 HydrophobicContact CB-CD1 4.42Å; D90-L98 HydrophobicContact CB-CD2 3.86Å; L91-L98 HydrophobicContact CD2-CD1 4.38Å; L91-L98 HydrophobicContact CD2-CD2 4.37Å; L91-L98 HydrophobicContact CD2-CG 4.05Å; F94-L98 HydrophobicContact CB-CD2 3.86Å; F94-L98 HydrophobicContact CD2-CD2 3.67Å; F94-L98 HydrophobicContact CG-CD2 4.13Å; L98-Y100 PolarHBondContact O-N 3.06Å; L98-V102 HydrophobicContact CB-CG1 4.45Å; L98-V102 HydrophobicContact CD1-CG1 4.35Å; L98-V103 HydrophobicContact CB-CG2 3.81Å; L98-Y106 HydrophobicContact CD1-CD2 4.07Å; L98-Y106 HydrophobicContact CD1-CE2 3.95Å; L98-M195 WeakPolarHBondContact CB-O 3.41Å; L98-M195 HydrophobicContact CD1-CB 4.34Å; L98-M195 HydrophobicContact CD1-CG 4.34Å; L98-M195 HydrophobicContact CD1-SD 4.45Å; L98-M195 PolarHBondContact N-O 2.78Å
99D98.3Very high97.8Very high120 Ų12055.9 Ų55.964%0.64228%0.283SS*.  trans-53.8137.5173.1-74.5-70.2000112.3Q101 V102 V103D99-Q101 VanDerWaalsContact C-N 3.25Å; D99-Q101 PolarHBondContact O-N 3.41Å; D99-Q101 VanDerWaalsContact O-N 3.1Å; D99-V102 HydrophobicContact CB-CB 4.33Å; D99-V102 HydrophobicContact CB-CG2 3.98Å; D99-V102 WeakPolarHBondContact O-CA 3.39Å; D99-V102 WeakPolarHBondContact O-CB 3.48Å; D99-V102 PolarHBondContact O-N 2.83Å; D99-V103 PolarHBondContact O-N 2.79Å
100Y98.1Very high98Very high77 Ų7752.9 Ų52.930%0.30227%0.267SS..Hα-helixtrans-50.3-41.8-177.3-175.7-90.6000113.5L98 V103 Q104 L196 P259 V262 F288L98-Y100 PolarHBondContact O-N 3.06Å; Y100-V103 PolarHBondContact O-N 2.7Å; Y100-Q104 HydrophobicContact CD1-CG 4.17Å; Y100-Q104 HydrophobicContact CE1-CG 3.94Å; Y100-Q104 WeakPolarHBondContact O-CG 3.4Å; Y100-Q104 PolarHBondContact O-N 3.18Å; Y100-L196 HydrophobicContact CD2-CD2 4.31Å; Y100-P259 HydrophobicContact CE2-CG 4.29Å; Y100-V262 HydrophobicContact CE2-CG2 3.71Å; Y100-F288 HydrophobicContact CD2-CE2 4.45Å; Y100-F288 HydrophobicContact CE1-CE2 4.36Å; Y100-F288 HydrophobicContact CE2-CD2 4.27Å; Y100-F288 AromaticContact CE2-CE2 3.68Å; Y100-F288 HydrophobicContact CE2-CE2 3.68Å; Y100-F288 AromaticContact CZ-CD2 3.94Å; Y100-F288 AromaticContact CZ-CE2 3.62Å; Y100-F288 WeakPolarHBondContact OH-CD2 3.44Å
101Q97.8Very high98Very high129 Ų12952 Ų5260%0.60326%0.262SS*.Hα-helixtrans-70.8-29.6176.9-68.2-169.11200113.5D99 K105D99-Q101 VanDerWaalsContact C-N 3.25Å; D99-Q101 PolarHBondContact O-N 3.41Å; D99-Q101 VanDerWaalsContact O-N 3.1Å; Q101-K105 WeakPolarHBondContact O-CB 3.38Å; Q101-K105 WeakPolarHBondContact O-CG 3.5Å; Q101-K105 PolarHBondContact O-N 3.39Å
102V98.4Very high98Very high49 Ų4953.5 Ų53.530%0.29727%0.271SS..Hα-helixtrans-68.2-45.1172.4176.40000109L98 D99 Q104 K105 Y106L98-V102 HydrophobicContact CB-CG1 4.45Å; L98-V102 HydrophobicContact CD1-CG1 4.35Å; D99-V102 HydrophobicContact CB-CB 4.33Å; D99-V102 HydrophobicContact CB-CG2 3.98Å; D99-V102 WeakPolarHBondContact O-CA 3.39Å; D99-V102 WeakPolarHBondContact O-CB 3.48Å; D99-V102 PolarHBondContact O-N 2.83Å; V102-Q104 PolarHBondContact O-N 3.18Å; V102-K105 CarbonylContact O-C 3.32Å; V102-K105 PolarHBondContact O-N 2.89Å; V102-K105 VanDerWaalsContact O-N 3.14Å; V102-Y106 HydrophobicContact CG1-CD1 4.27Å; V102-Y106 HydrophobicContact CG1-CD2 3.93Å; V102-Y106 HydrophobicContact CG1-CE1 3.93Å; V102-Y106 HydrophobicContact CG1-CE2 3.59Å; V102-Y106 HydrophobicContact CG1-CG 4.28Å; V102-Y106 WeakPolarHBondContact O-CB 3.26Å; V102-Y106 PolarHBondContact O-N 3.45Å
103V98.7Very high98.1Very high0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-60.4-44.6175.3-177.90000112L98 D99 Y100 K105 Y106 L107 M195 L196 F288L98-V103 HydrophobicContact CB-CG2 3.81Å; D99-V103 PolarHBondContact O-N 2.79Å; Y100-V103 PolarHBondContact O-N 2.7Å; V103-K105 VanDerWaalsContact C-N 3.35Å; V103-K105 PolarHBondContact O-N 2.88Å; V103-Y106 PolarHBondContact O-N 3.18Å; V103-L107 HydrophobicContact CG1-CD1 3.65Å; V103-L107 HydrophobicContact CG1-CG 4.08Å; V103-L107 WeakPolarHBondContact O-CB 3.39Å; V103-L107 WeakPolarHBondContact O-CG 3.38Å; V103-L107 PolarHBondContact O-N 3.07Å; V103-M195 HydrophobicContact CG1-CB 4.09Å; V103-M195 HydrophobicContact CG1-CE 4.25Å; V103-M195 HydrophobicContact CG2-CB 3.88Å; V103-L196 HydrophobicContact CB-CD2 3.98Å; V103-L196 HydrophobicContact CB-CG 4.32Å; V103-L196 HydrophobicContact CG1-CD1 4.38Å; V103-L196 HydrophobicContact CG1-CD2 4.18Å; V103-L196 HydrophobicContact CG1-CG 3.99Å; V103-L196 HydrophobicContact CG2-CD2 3.62Å; V103-L196 HydrophobicContact CG2-CG 4Å; V103-F288 HydrophobicContact CG1-CZ 4.34Å
104Q98.4Very high98.1Very high15 Ų1541.5 Ų41.57%0.0721%0.213CC..Hα-helixtrans-56.3-47.6172.5-74.6178.8-55.900111.6Y100 V102 Y106 F108 F288 F294Y100-Q104 HydrophobicContact CD1-CG 4.17Å; Y100-Q104 HydrophobicContact CE1-CG 3.94Å; Y100-Q104 WeakPolarHBondContact O-CG 3.4Å; Y100-Q104 PolarHBondContact O-N 3.18Å; V102-Q104 PolarHBondContact O-N 3.18Å; Q104-Y106 PolarHBondContact O-N 3.18Å; Q104-F108 VanDerWaalsContact O-CB 3.24Å; Q104-F108 WeakPolarHBondContact O-CB 3.32Å; Q104-F108 PolarHBondContact O-N 2.61Å; Q104-F288 HydrophobicContact CB-CE1 4.27Å; Q104-F288 HydrophobicContact CB-CZ 4.31Å; Q104-F288 HydrophobicContact CG-CD1 4.34Å; Q104-F288 HydrophobicContact CG-CE1 3.69Å; Q104-F288 HydrophobicContact CG-CE2 3.94Å; Q104-F288 HydrophobicContact CG-CZ 3.46Å; Q104-F288 VanDerWaalsContact CG-CZ 3.46Å; Q104-F288 PolarHBondContact NE2-O 3.43Å; Q104-F294 HydrophobicContact CB-CD2 4.43Å; Q104-F294 HydrophobicContact CB-CE1 4.01Å; Q104-F294 HydrophobicContact CB-CE2 3.8Å; Q104-F294 HydrophobicContact CB-CZ 3.58Å
105K98.8Very high98.2Very high43 Ų4337.9 Ų37.919%0.18720%0.204CC..Hα-helixtrans-68.9-31.7-178.6-72.3-178.7176.8-167.70113.5Q101 V102 V103 Q109 F294 F298 E301Q101-K105 WeakPolarHBondContact O-CB 3.38Å; Q101-K105 WeakPolarHBondContact O-CG 3.5Å; Q101-K105 PolarHBondContact O-N 3.39Å; V102-K105 CarbonylContact O-C 3.32Å; V102-K105 PolarHBondContact O-N 2.89Å; V102-K105 VanDerWaalsContact O-N 3.14Å; V103-K105 VanDerWaalsContact C-N 3.35Å; V103-K105 PolarHBondContact O-N 2.88Å; K105-Q109 WeakPolarHBondContact O-CG 2.99Å; K105-Q109 PolarHBondContact O-NE2 2.95Å; K105-F294 HydrophobicContact CG-CE2 3.84Å; K105-F294 HydrophobicContact CG-CZ 3.66Å; K105-F298 HydrophobicContact CB-CE1 3.94Å; K105-F298 HydrophobicContact CB-CE2 4Å; K105-F298 HydrophobicContact CB-CZ 3.63Å; K105-F298 HydrophobicContact CD-CD2 3.86Å; K105-F298 HydrophobicContact CD-CE2 3.62Å; K105-F298 HydrophobicContact CD-CZ 4.19Å; K105-F298 HydrophobicContact CG-CD1 4.16Å; K105-F298 HydrophobicContact CG-CD2 3.73Å; K105-F298 HydrophobicContact CG-CE1 3.96Å; K105-F298 HydrophobicContact CG-CE2 3.54Å; K105-F298 HydrophobicContact CG-CG 4.06Å; K105-F298 HydrophobicContact CG-CZ 3.66Å; K105-F298 WeakPolarHBondContact O-CE1 3.45Å; K105-E301 IonicContact NZ-OE1 2.65Å; K105-E301 PolarHBondContact NZ-OE1 3.31Å; K105-E301 IonicContact NZ-OE2 2.77Å; K105-E301 PolarHBondContact NZ-OE2 2.99Å
106Y98.8Very high98.3Very high22 Ų2235.9 Ų35.99%0.08619%0.187CC..Hα-helixtrans-76.2-52175-72-1.2000111.2I87 D90 L98 V102 V103 Q104 F108 Q109 I110 V134 V140 M195I87-Y106 HydrophobicContact CD1-CD2 3.58Å; I87-Y106 HydrophobicContact CD1-CE2 4.22Å; I87-Y106 HydrophobicContact CD1-CG 4.04Å; I87-Y106 HydrophobicContact CG1-CD2 3.89Å; I87-Y106 HydrophobicContact CG1-CE2 4Å; D90-Y106 VanDerWaalsContact OD2-CE2 3.24Å; D90-Y106 WeakPolarHBondContact OD2-CE2 3.49Å; D90-Y106 PolarHBondContact OD2-OH 3.13Å; L98-Y106 HydrophobicContact CD1-CD2 4.07Å; L98-Y106 HydrophobicContact CD1-CE2 3.95Å; V102-Y106 HydrophobicContact CG1-CD1 4.27Å; V102-Y106 HydrophobicContact CG1-CD2 3.93Å; V102-Y106 HydrophobicContact CG1-CE1 3.93Å; V102-Y106 HydrophobicContact CG1-CE2 3.59Å; V102-Y106 HydrophobicContact CG1-CG 4.28Å; V102-Y106 WeakPolarHBondContact O-CB 3.26Å; V102-Y106 PolarHBondContact O-N 3.45Å; V103-Y106 PolarHBondContact O-N 3.18Å; Q104-Y106 PolarHBondContact O-N 3.18Å; Y106-F108 VanDerWaalsContact C-N 3.33Å; Y106-F108 PolarHBondContact O-N 3.49Å; Y106-Q109 PolarHBondContact O-N 2.89Å; Y106-Q109 VanDerWaalsContact O-N 3.15Å; Y106-I110 VanDerWaalsContact O-CG1 3.28Å; Y106-I110 WeakPolarHBondContact O-CG1 3.04Å; Y106-I110 PolarHBondContact O-N 3.26Å; Y106-V134 HydrophobicContact CE1-CG1 4.03Å; Y106-V134 HydrophobicContact CE1-CG2 4.44Å; Y106-V134 HydrophobicContact CE2-CG2 4.39Å; Y106-V140 HydrophobicContact CD1-CG2 3.73Å; Y106-V140 HydrophobicContact CE1-CG2 4.35Å; Y106-V140 HydrophobicContact CG-CG2 4.15Å; Y106-M195 HydrophobicContact CD2-SD 4.13Å
107L98.8Very high98.1Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-58.1-43.1179.3-73.4174.1000112.3V103 Q109 I110 I111 I188 V192 M195 L265 F288 F289V103-L107 HydrophobicContact CG1-CD1 3.65Å; V103-L107 HydrophobicContact CG1-CG 4.08Å; V103-L107 WeakPolarHBondContact O-CB 3.39Å; V103-L107 WeakPolarHBondContact O-CG 3.38Å; V103-L107 PolarHBondContact O-N 3.07Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 2.73Å; L107-I110 PolarHBondContact O-N 3.16Å; L107-I111 HydrophobicContact CB-CD1 4.34Å; L107-I111 WeakPolarHBondContact O-CB 3.36Å; L107-I111 WeakPolarHBondContact O-CD1 3.38Å; L107-I111 WeakPolarHBondContact O-CG1 3.4Å; L107-I111 PolarHBondContact O-N 3Å; L107-I188 HydrophobicContact CD2-CG2 4.29Å; L107-V192 HydrophobicContact CD1-CB 4.38Å; L107-V192 HydrophobicContact CD1-CG1 4.4Å; L107-V192 HydrophobicContact CD1-CG2 3.81Å; L107-V192 HydrophobicContact CD2-CG2 4.05Å; L107-M195 HydrophobicContact CD1-CE 4.4Å; L107-M195 HydrophobicContact CD2-CE 3.35Å; L107-M195 HydrophobicContact CG-CE 3.53Å; L107-L265 HydrophobicContact CD1-CD2 4.38Å; L107-F288 HydrophobicContact CD1-CE1 3.67Å; L107-F288 HydrophobicContact CD1-CZ 4Å; L107-F289 HydrophobicContact CB-CE1 3.97Å; L107-F289 HydrophobicContact CB-CZ 3.81Å
108F98.8Very high98Very high13 Ų1328.6 Ų28.66%0.05714%0.144CC..Hα-helixtrans-56.9-42.7178.1-173.3-93.5000111.9Q104 Y106 N112 L284 F289 F294 A295 F298Q104-F108 VanDerWaalsContact O-CB 3.24Å; Q104-F108 WeakPolarHBondContact O-CB 3.32Å; Q104-F108 PolarHBondContact O-N 2.61Å; Y106-F108 VanDerWaalsContact C-N 3.33Å; Y106-F108 PolarHBondContact O-N 3.49Å; F108-N112 WeakPolarHBondContact CD1-ND2 3.18Å; F108-N112 WeakPolarHBondContact CE1-ND2 3.42Å; F108-N112 PolarHBondContact O-N 2.91Å; F108-N112 VanDerWaalsContact O-N 3.1Å; F108-N112 PolarHBondContact O-ND2 3.45Å; F108-L284 HydrophobicContact CD2-CD2 3.7Å; F108-L284 HydrophobicContact CE2-CD2 3.87Å; F108-L284 HydrophobicContact CG-CD2 4.28Å; F108-F289 HydrophobicContact CB-CD1 4.03Å; F108-F289 HydrophobicContact CB-CE1 3.88Å; F108-F289 HydrophobicContact CD2-CB 4.36Å; F108-F289 AromaticContact CD2-CD1 3.89Å; F108-F289 HydrophobicContact CD2-CD1 3.89Å; F108-F289 HydrophobicContact CD2-CE1 4.44Å; F108-F289 HydrophobicContact CD2-CG 4.17Å; F108-F289 HydrophobicContact CG-CD1 4.47Å; F108-F294 HydrophobicContact CB-CE1 4.36Å; F108-F294 HydrophobicContact CD2-CE1 4.44Å; F108-F294 HydrophobicContact CG-CE1 4.48Å; F108-A295 HydrophobicContact CE2-CB 3.75Å; F108-A295 HydrophobicContact CZ-CB 4.35Å; F108-F298 HydrophobicContact CB-CD1 4.21Å; F108-F298 HydrophobicContact CB-CE1 4.2Å; F108-F298 AromaticContact CD1-CD1 3.61Å; F108-F298 HydrophobicContact CD1-CD1 3.61Å; F108-F298 AromaticContact CD1-CE1 3.81Å; F108-F298 HydrophobicContact CD1-CE1 3.81Å; F108-F298 HydrophobicContact CE1-CD1 4.2Å; F108-F298 HydrophobicContact CG-CD1 4.02Å; F108-F298 HydrophobicContact CG-CE1 4.32Å
109Q98.8Very high97.9Very high0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-74.3-37.5178.2-70.7179.185.900113.2N62 K105 Y106 L107 G113 G138 V140 F298 L302N62-Q109 WeakPolarHBondContact CB-O 3.39Å; N62-Q109 WeakPolarHBondContact ND2-CB 2.98Å; N62-Q109 PolarHBondContact ND2-OE1 3.44Å; N62-Q109 PolarHBondContact OD1-O 3.23Å; K105-Q109 WeakPolarHBondContact O-CG 2.99Å; K105-Q109 PolarHBondContact O-NE2 2.95Å; Y106-Q109 PolarHBondContact O-N 2.89Å; Y106-Q109 VanDerWaalsContact O-N 3.15Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 2.73Å; Q109-G113 PolarHBondContact O-N 3.18Å; Q109-G138 PolarHBondContact NE2-O 2.98Å; Q109-V140 HydrophobicContact CB-CB 3.75Å; Q109-V140 HydrophobicContact CB-CG1 4.43Å; Q109-V140 HydrophobicContact CB-CG2 4.12Å; Q109-F298 HydrophobicContact CG-CE1 4.07Å; Q109-F298 HydrophobicContact CG-CZ 4.28Å; Q109-L302 HydrophobicContact CG-CD1 4.21Å; Q109-L302 HydrophobicContact CG-CD2 3.83Å; Q109-L302 VanDerWaalsContact OE1-CD1 3.31Å
110I98.8Very high97.6Very high0 Ų030.7 Ų30.70%016%0.158CC..Hα-helixtrans-59.8-50.6173.5-66.4160.8000109.4I87 Y106 L107 N112 G113 I114 I132 V140 L142 I188 M195I87-I110 HydrophobicContact CD1-CD1 4.03Å; Y106-I110 VanDerWaalsContact O-CG1 3.28Å; Y106-I110 WeakPolarHBondContact O-CG1 3.04Å; Y106-I110 PolarHBondContact O-N 3.26Å; L107-I110 PolarHBondContact O-N 3.16Å; I110-N112 PolarHBondContact O-N 2.88Å; I110-G113 PolarHBondContact O-N 2.8Å; I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 WeakPolarHBondContact O-CG1 3.4Å; I110-I114 PolarHBondContact O-N 3.18Å; I110-I132 HydrophobicContact CD1-CD1 3.99Å; I110-I132 HydrophobicContact CD1-CG2 4.15Å; I110-I132 HydrophobicContact CG1-CD1 4.4Å; I110-I132 HydrophobicContact CG1-CG2 3.98Å; I110-V140 HydrophobicContact CG1-CG1 4.05Å; I110-L142 HydrophobicContact CG1-CD2 4.38Å; I110-L142 HydrophobicContact CG2-CD2 4.36Å; I110-I188 HydrophobicContact CG2-CD1 4.46Å; I110-I188 HydrophobicContact CG2-CG1 4.07Å; I110-M195 HydrophobicContact CD1-CE 4.16Å
111I98.8Very high97.2Very high1 Ų130.9 Ų30.91%0.00516%0.164CC..Hα-helixtrans-63.9-39.8-177.5-65.7161.8000111.1L107 G115 I188 C280 L283 L284 F289L107-I111 HydrophobicContact CB-CD1 4.34Å; L107-I111 WeakPolarHBondContact O-CB 3.36Å; L107-I111 WeakPolarHBondContact O-CD1 3.38Å; L107-I111 WeakPolarHBondContact O-CG1 3.4Å; L107-I111 PolarHBondContact O-N 3Å; I111-G115 PolarHBondContact O-N 3.3Å; I111-I188 HydrophobicContact CD1-CG2 4.36Å; I111-I188 HydrophobicContact CG1-CD1 4.16Å; I111-I188 HydrophobicContact CG1-CG2 4.07Å; I111-C280 HydrophobicContact CG2-CB 3.89Å; I111-C280 WeakPolarHBondContact CG2-O 3.39Å; I111-L283 HydrophobicContact CD1-CB 4.21Å; I111-L283 HydrophobicContact CD1-CD1 4.47Å; I111-L283 HydrophobicContact CG1-CD1 4.45Å; I111-L283 HydrophobicContact CG2-CB 3.96Å; I111-L284 HydrophobicContact CB-CD2 3.89Å; I111-L284 HydrophobicContact CB-CG 4.5Å; I111-L284 HydrophobicContact CG2-CD1 4.4Å; I111-L284 HydrophobicContact CG2-CD2 3.59Å; I111-L284 HydrophobicContact CG2-CG 3.67Å; I111-F289 HydrophobicContact CD1-CE2 3.66Å; I111-F289 HydrophobicContact CD1-CZ 3.49Å; I111-F289 VanDerWaalsContact CD1-CZ 3.49Å
112N98.4Very high96.7Very high45 Ų4524.8 Ų24.824%0.24114%0.136CC..Hα-helixtrans-62.6-47172.1-84.6-70.8000112.1F108 I110 I114 G115 F116 L284F108-N112 WeakPolarHBondContact CD1-ND2 3.18Å; F108-N112 WeakPolarHBondContact CE1-ND2 3.42Å; F108-N112 PolarHBondContact O-N 2.91Å; F108-N112 VanDerWaalsContact O-N 3.1Å; F108-N112 PolarHBondContact O-ND2 3.45Å; I110-N112 PolarHBondContact O-N 2.88Å; N112-I114 PolarHBondContact O-N 3.35Å; N112-G115 PolarHBondContact O-N 3.47Å; N112-F116 PolarHBondContact O-N 3.08Å; N112-L284 WeakPolarHBondContact OD1-CD1 3.35Å
113G98.1Very high96.4Very high0 Ų022.7 Ų22.70%012%0.123CC..Hα-helixtrans-59.6-42.2177.100000113.6Q109 I110 C117Q109-G113 PolarHBondContact O-N 3.18Å; I110-G113 PolarHBondContact O-N 2.8Å; G113-C117 PolarHBondContact O-N 2.83Å; G113-C117 PolarHBondContact O-SG 2.96Å; G113-C117 VanDerWaalsContact O-SG 3.38Å
114I98Very high96Very high0 Ų022.7 Ų22.70%012%0.123CC..Hα-helixtrans-70.8-41.4175.2-61.5-62.8000111.3I110 N112 F116 C117 H118 H124 I127 L142 D184 I188 C280I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 WeakPolarHBondContact O-CG1 3.4Å; I110-I114 PolarHBondContact O-N 3.18Å; N112-I114 PolarHBondContact O-N 3.35Å; I114-F116 VanDerWaalsContact C-N 3.28Å; I114-F116 PolarHBondContact O-N 3.21Å; I114-C117 WeakPolarHBondContact O-CB 3.34Å; I114-C117 PolarHBondContact O-N 3.15Å; I114-H118 VanDerWaalsContact CG2-CE1 3.48Å; I114-H118 WeakPolarHBondContact CG2-CE1 3.32Å; I114-H118 VanDerWaalsContact CG2-NE2 3.3Å; I114-H118 WeakPolarHBondContact CG2-NE2 3.48Å; I114-H118 WeakPolarHBondContact O-CB 3.46Å; I114-H118 PolarHBondContact O-CD2 3.06Å; I114-H118 PolarHBondContact O-N 3.34Å; I114-H124 HydrophobicContact CD1-CB 3.92Å; I114-I127 HydrophobicContact CD1-CD1 3.61Å; I114-I127 HydrophobicContact CD1-CG1 3.91Å; I114-L142 HydrophobicContact CD1-CD1 3.62Å; I114-L142 HydrophobicContact CG1-CD1 3.88Å; I114-D184 HydrophobicContact CG2-CB 3.82Å; I114-I188 HydrophobicContact CB-CD1 4.37Å; I114-I188 HydrophobicContact CG1-CD1 4.21Å; I114-I188 HydrophobicContact CG2-CD1 4.4Å; I114-C280 VanDerWaalsContact CG2-SG 3.52Å
115G98Very high95.5Very high23 Ų2323.9 Ų23.924%0.23713%0.127CC..Hα-helixtrans-56.6-40.2174.300000112.8I111 N112 H118 S119I111-G115 PolarHBondContact O-N 3.3Å; N112-G115 PolarHBondContact O-N 3.47Å; G115-H118 PolarHBondContact O-N 3.04Å; G115-S119 PolarHBondContact O-N 3.09Å
116F96.9Very high95Very high38 Ų3822.4 Ų22.417%0.16712%0.121CC..Hα-helixtrans-64.2-42.6172.3176.8-88.3000112.7L58 R59 H60 L63 N112 I114 H118 S119 H120L58-F116 HydrophobicContact CB-CE1 4.39Å; L58-F116 HydrophobicContact CD2-CD1 4.48Å; L58-F116 HydrophobicContact CD2-CE1 3.76Å; R59-F116 WeakPolarHBondContact O-CZ 3.5Å; H60-F116 HydrophobicContact CB-CB 4.41Å; H60-F116 HydrophobicContact CB-CD1 3.65Å; H60-F116 HydrophobicContact CB-CD2 3.89Å; H60-F116 HydrophobicContact CB-CE1 3.79Å; H60-F116 HydrophobicContact CB-CE2 4Å; H60-F116 HydrophobicContact CB-CG 3.71Å; H60-F116 HydrophobicContact CB-CZ 3.97Å; H60-F116 AromaticContact CD2-CD2 3.48Å; H60-F116 VanDerWaalsContact CD2-CD2 3.48Å; H60-F116 WeakPolarHBondContact CD2-CD2 3.48Å; H60-F116 AromaticContact CD2-CG 3.66Å; H60-F116 AromaticContact CG-CD2 3.88Å; H60-F116 AromaticContact CG-CG 3.68Å; L63-F116 HydrophobicContact CD1-CD1 3.78Å; L63-F116 HydrophobicContact CD1-CE1 3.9Å; N112-F116 PolarHBondContact O-N 3.08Å; I114-F116 VanDerWaalsContact C-N 3.28Å; I114-F116 PolarHBondContact O-N 3.21Å; F116-H118 VanDerWaalsContact C-N 3.33Å; F116-S119 PolarHBondContact O-OG 2.89Å; F116-H120 AromaticContact CD2-CE1 3.9Å; F116-H120 AromaticContact CE1-ND1 3.96Å; F116-H120 AromaticContact CE2-CE1 3.37Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.3Å; F116-H120 AromaticContact CE2-ND1 3.96Å; F116-H120 AromaticContact CZ-CE1 3.43Å; F116-H120 VanDerWaalsContact CZ-CE1 3.43Å; F116-H120 WeakPolarHBondContact CZ-CE1 3.38Å; F116-H120 AromaticContact CZ-ND1 3.85Å; F116-H120 PolarHBondContact O-N 3.09Å; F116-H120 PolarHBondContact O-ND1 2.79Å
117C94.5Very high94.8Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-64-40.4173.9-66.50000111.7G113 I114 H120 N121 I122 F145G113-C117 PolarHBondContact O-N 2.83Å; G113-C117 PolarHBondContact O-SG 2.96Å; G113-C117 VanDerWaalsContact O-SG 3.38Å; I114-C117 WeakPolarHBondContact O-CB 3.34Å; I114-C117 PolarHBondContact O-N 3.15Å; C117-H120 CarbonylContact O-C 3.38Å; C117-H120 PolarHBondContact O-N 2.91Å; C117-N121 PolarHBondContact O-N 2.64Å; C117-I122 CarbonylContact C-O 3.59Å; C117-I122 HydrophobicContact CB-CB 4.4Å; C117-I122 PolarHBondContact O-N 2.79Å; C117-F145 VanDerWaalsContact SG-CE1 3.55Å
118H95.4Very high94.6Very high11 Ų1122.1 Ų22.15%0.05112%0.12CC..Hα-helixtrans-66.5-37.5179.5-77.7-164.4000112.6I114 G115 F116 H120 N121 I122 K181 D184I114-H118 VanDerWaalsContact CG2-CE1 3.48Å; I114-H118 WeakPolarHBondContact CG2-CE1 3.32Å; I114-H118 VanDerWaalsContact CG2-NE2 3.3Å; I114-H118 WeakPolarHBondContact CG2-NE2 3.48Å; I114-H118 WeakPolarHBondContact O-CB 3.46Å; I114-H118 PolarHBondContact O-CD2 3.06Å; I114-H118 PolarHBondContact O-N 3.34Å; G115-H118 PolarHBondContact O-N 3.04Å; F116-H118 VanDerWaalsContact C-N 3.33Å; H118-H120 VanDerWaalsContact C-N 3.27Å; H118-H120 PolarHBondContact O-N 3.48Å; H118-N121 PolarHBondContact O-N 3.24Å; H118-N121 VanDerWaalsContact O-N 3.1Å; H118-I122 PolarHBondContact CD2-O 3.42Å; H118-K181 HydrophobicContact CB-CD 3.97Å; H118-K181 PolarHBondContact CE1-O 3.07Å; H118-K181 VanDerWaalsContact CE1-O 3.24Å; H118-K181 VanDerWaalsContact O-CE 3.31Å; H118-K181 WeakPolarHBondContact O-CE 3.48Å; H118-K181 PolarHBondContact O-NZ 3.38Å; H118-D184 IonicContact CD2-OD2 2.69Å; H118-D184 IonicContact CE1-OD2 2.64Å; H118-D184 IonicContact NE2-OD2 2.62Å; H118-D184 PolarHBondContact NE2-OD2 2.76Å
119S95.4Very high94.4Very high83 Ų8321.5 Ų21.558%0.5812%0.118SC*.Hα-helixtrans-66.8-29.617467.30000112.3G115 F116 N121G115-S119 PolarHBondContact O-N 3.09Å; F116-S119 PolarHBondContact O-OG 2.89Å; S119-N121 VanDerWaalsContact C-N 3.25Å; S119-N121 PolarHBondContact O-N 2.82Å
120H91.5Very high94.1Very high95 Ų9525.1 Ų25.144%0.4414%0.135SC..THydrogen-bonded Turntrans-84.19.2172.3-67.278.9000113.9L58 F116 C117 H118 I122L58-H120 HydrophobicContact CD2-CB 4.22Å; F116-H120 AromaticContact CD2-CE1 3.9Å; F116-H120 AromaticContact CE1-ND1 3.96Å; F116-H120 AromaticContact CE2-CE1 3.37Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.3Å; F116-H120 AromaticContact CE2-ND1 3.96Å; F116-H120 AromaticContact CZ-CE1 3.43Å; F116-H120 VanDerWaalsContact CZ-CE1 3.43Å; F116-H120 WeakPolarHBondContact CZ-CE1 3.38Å; F116-H120 AromaticContact CZ-ND1 3.85Å; F116-H120 PolarHBondContact O-N 3.09Å; F116-H120 PolarHBondContact O-ND1 2.79Å; C117-H120 CarbonylContact O-C 3.38Å; C117-H120 PolarHBondContact O-N 2.91Å; H118-H120 VanDerWaalsContact C-N 3.27Å; H118-H120 PolarHBondContact O-N 3.48Å; H120-I122 HydrophobicContact CB-CD1 4.33Å; H120-I122 HydrophobicContact CB-CG1 4.48Å; H120-I122 PolarHBondContact O-N 2.85Å
121N89.6Confident93.8Very high81 Ų8125.7 Ų25.743%0.43314%0.138SC..THydrogen-bonded Turntrans5741.6-177.9-71.7-40.8000114.5C117 H118 S119 T150 L151 K181C117-N121 PolarHBondContact O-N 2.64Å; H118-N121 PolarHBondContact O-N 3.24Å; H118-N121 VanDerWaalsContact O-N 3.1Å; S119-N121 VanDerWaalsContact C-N 3.25Å; S119-N121 PolarHBondContact O-N 2.82Å; N121-T150 WeakPolarHBondContact O-CA 3.47Å; N121-L151 HydrophobicContact CB-CB 4.43Å; N121-L151 HydrophobicContact CB-CD1 4.13Å; N121-L151 PolarHBondContact O-N 2.88Å; N121-K181 WeakPolarHBondContact OD1-CE 3.35Å; N121-K181 PolarHBondContact OD1-NZ 2.86Å
122I88.6Confident93.8Very high2 Ų225.7 Ų25.71%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-116.3135.6174.6-57.6174000109.2L54 L58 C117 H118 H120 A148L54-I122 HydrophobicContact CD1-CD1 3.71Å; L54-I122 HydrophobicContact CD1-CG1 4.5Å; L54-I122 HydrophobicContact CD2-CD1 4Å; L54-I122 HydrophobicContact CG-CD1 3.9Å; L58-I122 HydrophobicContact CD1-CD1 3.65Å; L58-I122 HydrophobicContact CD2-CD1 3.63Å; L58-I122 HydrophobicContact CG-CD1 4.01Å; C117-I122 CarbonylContact C-O 3.59Å; C117-I122 HydrophobicContact CB-CB 4.4Å; C117-I122 PolarHBondContact O-N 2.79Å; H118-I122 PolarHBondContact CD2-O 3.42Å; H120-I122 HydrophobicContact CB-CD1 4.33Å; H120-I122 HydrophobicContact CB-CG1 4.48Å; H120-I122 PolarHBondContact O-N 2.85Å; I122-A148 HydrophobicContact CG2-CB 3.84Å
123I90.4Very high93.7Very high5 Ų525 Ų253%0.02613%0.134CC..EExtended strand (participates in β ladder)trans-102.6134.9170.7-47165.9000107.4R125 A148 R149 L151 Y179 V183 D184I123-R125 HydrophobicContact CB-CG 4Å; I123-R125 HydrophobicContact CG2-CG 3.53Å; I123-A148 VanDerWaalsContact O-CA 3.22Å; I123-A148 WeakPolarHBondContact O-CA 3.47Å; I123-A148 WeakPolarHBondContact O-CB 3.45Å; I123-R149 PolarHBondContact N-O 2.95Å; I123-R149 PolarHBondContact O-N 3.09Å; I123-L151 HydrophobicContact CD1-CD2 3.86Å; I123-L151 HydrophobicContact CD1-CG 4.07Å; I123-L151 HydrophobicContact CG1-CD1 4.21Å; I123-L151 HydrophobicContact CG1-CD2 4.35Å; I123-L151 HydrophobicContact CG1-CG 4.12Å; I123-Y179 HydrophobicContact CD1-CD2 4.11Å; I123-Y179 HydrophobicContact CD1-CE2 3.93Å; I123-V183 HydrophobicContact CG2-CG2 3.41Å; I123-V183 VanDerWaalsContact CG2-CG2 3.41Å; I123-D184 WeakPolarHBondContact CA-OD2 3.38Å; I123-D184 VanDerWaalsContact CG2-OD2 3.29Å; I123-D184 WeakPolarHBondContact CG2-OD2 3.35Å
124H91.1Very high93.7Very high0 Ų025 Ų250%013%0.134CC..  trans-78-43.9-177.4-164.7-74.7000112.7I114 D126 I127 C143 F145 D184I114-H124 HydrophobicContact CD1-CB 3.92Å; H124-D126 PolarHBondContact CE1-O 3.33Å; H124-D126 PolarHBondContact ND1-O 3.27Å; H124-D126 PolarHBondContact O-N 2.82Å; H124-I127 HydrophobicContact CB-CD1 4.1Å; H124-I127 HydrophobicContact CB-CG1 3.86Å; H124-I127 WeakPolarHBondContact ND1-CD1 3.39Å; H124-C143 PolarHBondContact CE1-O 3.5Å; H124-C143 PolarHBondContact NE2-O 2.89Å; H124-F145 AromaticContact CD2-CD1 3.93Å; H124-F145 AromaticContact CD2-CE1 3.39Å; H124-F145 WeakPolarHBondContact CD2-CE1 3.41Å; H124-F145 AromaticContact CD2-CZ 3.6Å; H124-F145 AromaticContact NE2-CE1 3.92Å; H124-F145 AromaticContact NE2-CZ 3.8Å; H124-D184 PolarHBondContact N-OD1 3.36Å; H124-D184 PolarHBondContact N-OD2 3.36Å
125R88.8Confident93.6Very high40 Ų4025.6 Ų25.615%0.15114%0.138CC..  trans66.8-23174.4-55.2176.761.9-119.9-2.2118I123 F147 Y179 V183 D184I123-R125 HydrophobicContact CB-CG 4Å; I123-R125 HydrophobicContact CG2-CG 3.53Å; R125-F147 HydrophobicContact CB-CB 4.12Å; R125-F147 PolarHBondContact NH1-O 3.42Å; R125-Y179 HydrophobicContact CG-CE2 4.35Å; R125-Y179 VanDerWaalsContact CZ-OH 3.3Å; R125-Y179 PolarHBondContact NE-OH 3.37Å; R125-V183 HydrophobicContact CG-CG2 4.29Å; R125-D184 PolarHBondContact N-OD1 3.33Å
126D88.1Confident93.4Very high11 Ų1131.6 Ų31.66%0.05916%0.16CC..  trans-119.370.1173.1-165.336.5000110.4H124 K128 N131 F147H124-D126 PolarHBondContact CE1-O 3.33Å; H124-D126 PolarHBondContact ND1-O 3.27Å; H124-D126 PolarHBondContact O-N 2.82Å; D126-K128 WeakPolarHBondContact OD1-CD 3.5Å; D126-K128 WeakPolarHBondContact OD2-CE 3.35Å; D126-N131 PolarHBondContact O-ND2 2.92Å; D126-N131 PolarHBondContact OD2-ND2 3.38Å; D126-F147 HydrophobicContact CB-CB 4.41Å; D126-F147 HydrophobicContact CB-CD1 4.3Å; D126-F147 HydrophobicContact CB-CD2 3.38Å; D126-F147 HydrophobicContact CB-CE1 4.3Å; D126-F147 HydrophobicContact CB-CE2 3.4Å; D126-F147 HydrophobicContact CB-CG 3.83Å; D126-F147 HydrophobicContact CB-CZ 3.84Å; D126-F147 WeakPolarHBondContact OD2-CE2 3.27Å
127I94.3Very high93.3Very high2 Ų230.6 Ų30.61%0.0116%0.158CC..  trans-101.1116.6177.3-72.2-64.8000109.2I114 H124 L142 Y167 A187 L191I114-I127 HydrophobicContact CD1-CD1 3.61Å; I114-I127 HydrophobicContact CD1-CG1 3.91Å; H124-I127 HydrophobicContact CB-CD1 4.1Å; H124-I127 HydrophobicContact CB-CG1 3.86Å; H124-I127 WeakPolarHBondContact ND1-CD1 3.39Å; I127-L142 HydrophobicContact CD1-CD2 4.27Å; I127-Y167 WeakPolarHBondContact O-CB 3.4Å; I127-Y167 VanDerWaalsContact O-CG 3.28Å; I127-A187 HydrophobicContact CB-CB 3.75Å; I127-A187 HydrophobicContact CG2-CB 3.74Å; I127-L191 HydrophobicContact CG2-CD1 3.5Å
128K93.9Very high93.4Very high14 Ų1431.4 Ų31.46%0.06117%0.166CC..SBendtrans-165.7158.3-171.757.6-179.1-170.6150.60109.7D126 E130 N131 I132 Y167D126-K128 WeakPolarHBondContact OD1-CD 3.5Å; D126-K128 WeakPolarHBondContact OD2-CE 3.35Å; K128-E130 HydrophobicContact CD-CB 4.45Å; K128-E130 WeakPolarHBondContact CD-OE1 3.48Å; K128-E130 WeakPolarHBondContact CE-OE1 3.21Å; K128-E130 HydrophobicContact CG-CB 4.31Å; K128-E130 IonicContact NZ-OE1 3.97Å; K128-E130 PolarHBondContact NZ-OE1 3.19Å; K128-E130 IonicContact NZ-OE2 2.97Å; K128-E130 PolarHBondContact NZ-OE2 2.95Å; K128-E130 PolarHBondContact O-N 3.41Å; K128-E130 VanDerWaalsContact O-N 3.11Å; K128-N131 WeakPolarHBondContact CE-ND2 3.31Å; K128-N131 HydrophobicContact CG-CB 4.22Å; K128-N131 PolarHBondContact O-N 3.27Å; K128-I132 WeakPolarHBondContact O-CG1 3.26Å; K128-Y167 HydrophobicContact CB-CD1 4.42Å; K128-Y167 HydrophobicContact CB-CD2 3.49Å; K128-Y167 VanDerWaalsContact CB-CD2 3.49Å; K128-Y167 HydrophobicContact CB-CE1 4.4Å; K128-Y167 HydrophobicContact CB-CE2 3.47Å; K128-Y167 VanDerWaalsContact CB-CE2 3.47Å; K128-Y167 HydrophobicContact CB-CG 4.01Å
129P95.9Very high93.6Very high1 Ų131 Ų311%0.00616%0.164CC..G310 helixtrans-56.7-31-174.2-27.636.3000115.1I87 L88 L91 N131 I132 Y167 L191 E194I87-P129 HydrophobicContact CB-CB 4.34Å; I87-P129 HydrophobicContact CG2-CB 4.22Å; L88-P129 HydrophobicContact CB-CB 3.83Å; L88-P129 HydrophobicContact CD1-CB 4.49Å; L88-P129 PolarHBondContact N-O 3.43Å; L91-P129 HydrophobicContact CD1-CB 4.12Å; L91-P129 HydrophobicContact CD1-CG 4.05Å; P129-N131 VanDerWaalsContact C-N 3.29Å; P129-N131 PolarHBondContact O-N 3.44Å; P129-I132 PolarHBondContact O-N 2.85Å; P129-Y167 VanDerWaalsContact CD-CZ 3.45Å; P129-Y167 WeakPolarHBondContact CD-OH 3.23Å; P129-L191 HydrophobicContact CG-CD2 3.7Å; P129-E194 WeakPolarHBondContact CG-OE2 3.47Å
130E91.7Very high93.7Very high75 Ų7527 Ų2735%0.3514%0.136SC..G310 helixtrans-60-35.4175.6-61.4164.5-107.300113.4L88 K128 T164L88-E130 HydrophobicContact CD2-CG 3.56Å; K128-E130 HydrophobicContact CD-CB 4.45Å; K128-E130 WeakPolarHBondContact CD-OE1 3.48Å; K128-E130 WeakPolarHBondContact CE-OE1 3.21Å; K128-E130 HydrophobicContact CG-CB 4.31Å; K128-E130 IonicContact NZ-OE1 3.97Å; K128-E130 PolarHBondContact NZ-OE1 3.19Å; K128-E130 IonicContact NZ-OE2 2.97Å; K128-E130 PolarHBondContact NZ-OE2 2.95Å; K128-E130 PolarHBondContact O-N 3.41Å; K128-E130 VanDerWaalsContact O-N 3.11Å; E130-T164 PolarHBondContact OE1-OG1 3.03Å
131N93.4Very high94Very high13 Ų1323.8 Ų23.87%0.0712%0.121CC..G310 helixtrans-95.53.9-172.5-69.3-5.9000112.8D126 K128 P129 C143D126-N131 PolarHBondContact O-ND2 2.92Å; D126-N131 PolarHBondContact OD2-ND2 3.38Å; K128-N131 WeakPolarHBondContact CE-ND2 3.31Å; K128-N131 HydrophobicContact CG-CB 4.22Å; K128-N131 PolarHBondContact O-N 3.27Å; P129-N131 VanDerWaalsContact C-N 3.29Å; P129-N131 PolarHBondContact O-N 3.44Å; N131-C143 PolarHBondContact O-N 3.35Å; N131-C143 PolarHBondContact O-SG 3.28Å; N131-C143 VanDerWaalsContact O-SG 3.33Å
132I97.1Very high94.3Very high0 Ų020 Ų200%010%0.101CC..EExtended strand (participates in β ladder)trans-112.496-178.4-54.9163.6000107.2T86 I87 I110 K128 P129 V140 L142 L191T86-I132 WeakPolarHBondContact CA-O 3.39Å; I87-I132 HydrophobicContact CD1-CB 3.95Å; I87-I132 HydrophobicContact CD1-CD1 4.44Å; I87-I132 HydrophobicContact CD1-CG2 3.36Å; I87-I132 HydrophobicContact CG1-CB 4.16Å; I87-I132 HydrophobicContact CG1-CG2 3.87Å; I87-I132 PolarHBondContact N-O 3.23Å; I110-I132 HydrophobicContact CD1-CD1 3.99Å; I110-I132 HydrophobicContact CD1-CG2 4.15Å; I110-I132 HydrophobicContact CG1-CD1 4.4Å; I110-I132 HydrophobicContact CG1-CG2 3.98Å; K128-I132 WeakPolarHBondContact O-CG1 3.26Å; P129-I132 PolarHBondContact O-N 2.85Å; I132-V140 HydrophobicContact CG2-CG1 3.4Å; I132-L142 HydrophobicContact CB-CD2 4.5Å; I132-L142 HydrophobicContact CG1-CD2 3.9Å; I132-L142 HydrophobicContact CG2-CD2 4.16Å; I132-L191 HydrophobicContact CD1-CD1 3.55Å; I132-L191 HydrophobicContact CD1-CD2 4.23Å
133L97.4Very high94.4Very high30 Ų3020.9 Ų20.916%0.15711%0.107CC..EExtended strand (participates in β ladder)trans-81.6148.7-176.8-43.6179.3000110V64 V83 H85 T86 V140 K141 C143V64-L133 HydrophobicContact CB-CD1 4.46Å; V64-L133 HydrophobicContact CG2-CD1 4.21Å; V83-L133 HydrophobicContact CB-CB 3.72Å; V83-L133 HydrophobicContact CB-CD1 3.9Å; V83-L133 HydrophobicContact CB-CG 4.45Å; V83-L133 HydrophobicContact CG1-CB 3.52Å; V83-L133 HydrophobicContact CG2-CB 4.26Å; V83-L133 HydrophobicContact CG2-CD1 3.94Å; H85-L133 CarbonylContact O-C 3.6Å; H85-L133 WeakPolarHBondContact O-CA 3.34Å; T86-L133 HydrophobicContact CG2-CD2 3.74Å; L133-V140 CarbonylContact O-C 3.58Å; L133-V140 WeakPolarHBondContact O-CA 3.46Å; L133-K141 HydrophobicContact CB-CB 4.4Å; L133-K141 VanDerWaalsContact CB-O 3.27Å; L133-K141 WeakPolarHBondContact CB-O 3.42Å; L133-K141 WeakPolarHBondContact CG-O 3.43Å; L133-K141 PolarHBondContact N-O 2.75Å; L133-K141 PolarHBondContact O-N 2.88Å; L133-C143 HydrophobicContact CD1-CB 3.88Å; L133-C143 HydrophobicContact CG-CB 4.15Å
134V97.8Very high93.9Very high1 Ų122.5 Ų22.51%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-129.1136.2-179.9-173.90000110.4V83 D84 H85 I87 Y106 V140V83-V134 VanDerWaalsContact CG1-C 3.44Å; V83-V134 VanDerWaalsContact CG1-O 3.3Å; V83-V134 WeakPolarHBondContact CG1-O 3.36Å; D84-V134 PolarHBondContact N-O 3.08Å; H85-V134 PolarHBondContact N-O 3.23Å; H85-V134 PolarHBondContact O-N 2.85Å; I87-V134 HydrophobicContact CG1-CG2 3.65Å; Y106-V134 HydrophobicContact CE1-CG1 4.03Å; Y106-V134 HydrophobicContact CE1-CG2 4.44Å; Y106-V134 HydrophobicContact CE2-CG2 4.39Å; V134-V140 HydrophobicContact CG2-CG2 4.42Å
135S96.5Very high93Very high12 Ų1223.2 Ų23.28%0.08412%0.119CC..  trans-87.3165.2177.988.20000113.1S137 G138 V139 D309S135-S137 PolarHBondContact O-N 2.69Å; S135-S137 PolarHBondContact OG-N 3.12Å; S135-S137 VanDerWaalsContact OG-N 3.15Å; S135-S137 PolarHBondContact OG-OG 2.78Å; S135-G138 PolarHBondContact O-N 3.17Å; S135-G138 PolarHBondContact OG-N 3.09Å; S135-V139 PolarHBondContact N-O 3.18Å; S135-V139 WeakPolarHBondContact OG-CB 3.48Å; S135-V139 PolarHBondContact OG-N 2.89Å; S135-V139 VanDerWaalsContact OG-N 3.07Å; S135-D309 WeakPolarHBondContact CB-OD2 3.41Å; S135-D309 PolarHBondContact OG-OD2 2.8Å
136Q93.8Very high91.6Very high149 Ų14922.8 Ų22.870%0.69613%0.127SC*.THydrogen-bonded Turntrans-61.9-3.3173.5-60-175.3-8.100114.8D84D84-Q136 HydrophobicContact CB-CG 3.81Å; D84-Q136 VanDerWaalsContact CG-CG 3.41Å; D84-Q136 WeakPolarHBondContact OD1-CG 3.37Å; D84-Q136 PolarHBondContact OD1-NE2 3.12Å
137S94.9Very high89.9Confident17 Ų1722.9 Ų22.912%0.11913%0.127CC..THydrogen-bonded Turntrans-114.94.417168.80000113.8S135 K305 D309S135-S137 PolarHBondContact O-N 2.69Å; S135-S137 PolarHBondContact OG-N 3.12Å; S135-S137 VanDerWaalsContact OG-N 3.15Å; S135-S137 PolarHBondContact OG-OG 2.78Å; S137-K305 VanDerWaalsContact O-CD 3.27Å; S137-K305 WeakPolarHBondContact O-CD 3.47Å; S137-K305 WeakPolarHBondContact O-CE 3.44Å; S137-K305 PolarHBondContact O-NZ 3.36Å; S137-D309 WeakPolarHBondContact CB-OD1 3.46Å; S137-D309 PolarHBondContact OG-OD1 2.91Å; S137-D309 PolarHBondContact OG-OD2 2.68Å
138G96.7Very high88Confident17 Ų1723.6 Ų23.618%0.17513%0.133CC..SBendtrans81.222.3-177.600000114.1Q109 S135Q109-G138 PolarHBondContact NE2-O 2.98Å; S135-G138 PolarHBondContact O-N 3.17Å; S135-G138 PolarHBondContact OG-N 3.09Å
139V98.2Very high86.3Confident2 Ų225.3 Ų25.31%0.01214%0.139CC..  trans-81.7117.1170.1-178.70000108.5S135 L302 K305 I306S135-V139 PolarHBondContact N-O 3.18Å; S135-V139 WeakPolarHBondContact OG-CB 3.48Å; S135-V139 PolarHBondContact OG-N 2.89Å; S135-V139 VanDerWaalsContact OG-N 3.07Å; V139-L302 HydrophobicContact CG2-CD1 4.28Å; V139-K305 HydrophobicContact CG2-CB 3.82Å; V139-I306 HydrophobicContact CG1-CG1 4.12Å; V139-I306 HydrophobicContact CG2-CG1 4.07Å
140V98.5Very high84.4Confident0 Ų027.8 Ų27.80%015%0.154CC..EExtended strand (participates in β ladder)trans-78.8139.9176.7171.30000110N62 Y106 Q109 I110 I132 L133 V134N62-V140 WeakPolarHBondContact CA-O 3.23Å; N62-V140 WeakPolarHBondContact CB-O 3.49Å; N62-V140 PolarHBondContact ND2-O 2.85Å; N62-V140 VanDerWaalsContact ND2-O 3.16Å; Y106-V140 HydrophobicContact CD1-CG2 3.73Å; Y106-V140 HydrophobicContact CE1-CG2 4.35Å; Y106-V140 HydrophobicContact CG-CG2 4.15Å; Q109-V140 HydrophobicContact CB-CB 3.75Å; Q109-V140 HydrophobicContact CB-CG1 4.43Å; Q109-V140 HydrophobicContact CB-CG2 4.12Å; I110-V140 HydrophobicContact CG1-CG1 4.05Å; I132-V140 HydrophobicContact CG2-CG1 3.4Å; L133-V140 CarbonylContact O-C 3.58Å; L133-V140 WeakPolarHBondContact O-CA 3.46Å; V134-V140 HydrophobicContact CG2-CG2 4.42Å
141K97.4Very high82.4Confident28 Ų2827.8 Ų27.812%0.12216%0.157CC..EExtended strand (participates in β ladder)trans-136.4112.9175.6-76.9177.1168.5-73.30111.5E61 N62 L63 E81 V83 L133E61-K141 PolarHBondContact O-NZ 3.33Å; N62-K141 CarbonylContact O-C 3.45Å; N62-K141 WeakPolarHBondContact O-CA 3.4Å; L63-K141 PolarHBondContact O-NZ 3.13Å; E81-K141 WeakPolarHBondContact OE1-CD 3.48Å; E81-K141 VanDerWaalsContact OE1-CE 3.23Å; E81-K141 WeakPolarHBondContact OE1-CE 3.36Å; E81-K141 IonicContact OE1-NZ 2.69Å; E81-K141 PolarHBondContact OE1-NZ 2.96Å; V83-K141 HydrophobicContact CG2-CB 4.22Å; V83-K141 HydrophobicContact CG2-CD 3.67Å; L133-K141 HydrophobicContact CB-CB 4.4Å; L133-K141 VanDerWaalsContact CB-O 3.27Å; L133-K141 WeakPolarHBondContact CB-O 3.42Å; L133-K141 WeakPolarHBondContact CG-O 3.43Å; L133-K141 PolarHBondContact N-O 2.75Å; L133-K141 PolarHBondContact O-N 2.88Å
142L95.9Very high79.7Confident0 Ų030.7 Ų30.70%018%0.182CC..EExtended strand (participates in β ladder)trans-70.4140.8175.3-54.1174.6000111.1N62 L63 V64 I110 I114 I127 I132N62-L142 PolarHBondContact O-N 3.49Å; L63-L142 HydrophobicContact CD2-CB 3.83Å; L63-L142 HydrophobicContact CD2-CD1 3.99Å; L63-L142 HydrophobicContact CD2-CG 4.29Å; V64-L142 WeakPolarHBondContact CG1-O 3.16Å; V64-L142 PolarHBondContact N-O 2.84Å; I110-L142 HydrophobicContact CG1-CD2 4.38Å; I110-L142 HydrophobicContact CG2-CD2 4.36Å; I114-L142 HydrophobicContact CD1-CD1 3.62Å; I114-L142 HydrophobicContact CG1-CD1 3.88Å; I127-L142 HydrophobicContact CD1-CD2 4.27Å; I132-L142 HydrophobicContact CB-CD2 4.5Å; I132-L142 HydrophobicContact CG1-CD2 3.9Å; I132-L142 HydrophobicContact CG2-CD2 4.16Å
143C90.6Very high76.8Confident21 Ų2132.9 Ų32.914%0.14220%0.2CC..  trans-139.7175.7178.777.30000114.2V64 H124 N131 L133V64-C143 HydrophobicContact CB-CB 4.16Å; V64-C143 HydrophobicContact CG1-CB 3.57Å; H124-C143 PolarHBondContact CE1-O 3.5Å; H124-C143 PolarHBondContact NE2-O 2.89Å; N131-C143 PolarHBondContact O-N 3.35Å; N131-C143 PolarHBondContact O-SG 3.28Å; N131-C143 VanDerWaalsContact O-SG 3.33Å; L133-C143 HydrophobicContact CD1-CB 3.88Å; L133-C143 HydrophobicContact CG-CB 4.15Å
144D80.4Confident73.9Confident40 Ų4038.2 Ų38.221%0.21424%0.237CC..  trans62.154.5-178.4-140-15.2000117.1K33 G146K33-D144 IonicContact NZ-OD1 2.67Å; K33-D144 PolarHBondContact NZ-OD1 2.83Å; K33-D144 IonicContact NZ-OD2 3.33Å; K33-D144 PolarHBondContact NZ-OD2 3.11Å; D144-G146 PolarHBondContact O-N 3.28Å; D144-G146 PolarHBondContact OD1-N 3.01Å
145F70.8Confident71.3Confident15 Ų1541.4 Ų41.47%0.06627%0.27CS..G310 helixtrans-60.111.3165.4-68.1-85.1000115.4L55 L58 L63 C117 H124 F147 A148L55-F145 HydrophobicContact CD2-CB 3.99Å; L55-F145 HydrophobicContact CD2-CD2 4.13Å; L55-F145 HydrophobicContact CD2-CG 4.27Å; L58-F145 HydrophobicContact CD1-CD1 4.45Å; L58-F145 HydrophobicContact CD1-CE1 4.42Å; L63-F145 HydrophobicContact CD1-CZ 4.19Å; L63-F145 HydrophobicContact CD2-CE2 4.1Å; L63-F145 HydrophobicContact CD2-CZ 3.61Å; L63-F145 HydrophobicContact CG-CZ 4.45Å; C117-F145 VanDerWaalsContact SG-CE1 3.55Å; H124-F145 AromaticContact CD2-CD1 3.93Å; H124-F145 AromaticContact CD2-CE1 3.39Å; H124-F145 WeakPolarHBondContact CD2-CE1 3.41Å; H124-F145 AromaticContact CD2-CZ 3.6Å; H124-F145 AromaticContact NE2-CE1 3.92Å; H124-F145 AromaticContact NE2-CZ 3.8Å; F145-F147 PolarHBondContact O-N 2.94Å; F145-F147 VanDerWaalsContact O-N 3.13Å; F145-A148 HydrophobicContact CB-CB 3.94Å; F145-A148 HydrophobicContact CD1-CB 3.73Å; F145-A148 HydrophobicContact CG-CB 4.36Å; F145-A148 VanDerWaalsContact O-CB 3.23Å; F145-A148 WeakPolarHBondContact O-CB 3.12Å; F145-A148 PolarHBondContact O-N 3.46Å
146G59.3Low68.7Low31 Ų3144.6 Ų44.632%0.3228%0.284SS..G310 helixtrans-62.6-17.2178.600000114.5D144D144-G146 PolarHBondContact O-N 3.28Å; D144-G146 PolarHBondContact OD1-N 3.01Å
147F54.1Low66.1Low12 Ų1243.6 Ų43.65%0.05329%0.288CS..G310 helixtrans-95-12.5172.2-63.7-106.7000113.7Y15 R125 D126 F145 R149 Y161 A163Y15-F147 HydrophobicContact CD2-CE2 4.1Å; Y15-F147 HydrophobicContact CE1-CE2 4.47Å; Y15-F147 HydrophobicContact CE2-CD2 4.32Å; Y15-F147 AromaticContact CE2-CE2 3.26Å; Y15-F147 HydrophobicContact CE2-CE2 3.26Å; Y15-F147 AromaticContact CE2-CZ 3.49Å; Y15-F147 HydrophobicContact CE2-CZ 3.49Å; Y15-F147 VanDerWaalsContact CE2-CZ 3.49Å; Y15-F147 AromaticContact CZ-CE2 3.53Å; Y15-F147 AromaticContact CZ-CZ 3.42Å; Y15-F147 VanDerWaalsContact CZ-CZ 3.42Å; Y15-F147 WeakPolarHBondContact OH-CZ 3.3Å; R125-F147 HydrophobicContact CB-CB 4.12Å; R125-F147 PolarHBondContact NH1-O 3.42Å; D126-F147 HydrophobicContact CB-CB 4.41Å; D126-F147 HydrophobicContact CB-CD1 4.3Å; D126-F147 HydrophobicContact CB-CD2 3.38Å; D126-F147 HydrophobicContact CB-CE1 4.3Å; D126-F147 HydrophobicContact CB-CE2 3.4Å; D126-F147 HydrophobicContact CB-CG 3.83Å; D126-F147 HydrophobicContact CB-CZ 3.84Å; D126-F147 WeakPolarHBondContact OD2-CE2 3.27Å; F145-F147 PolarHBondContact O-N 2.94Å; F145-F147 VanDerWaalsContact O-N 3.13Å; F147-R149 PolarHBondContact O-N 2.85Å; F147-Y161 HydrophobicContact CD1-CD1 4.23Å; F147-Y161 HydrophobicContact CD1-CD2 4.07Å; F147-Y161 AromaticContact CD1-CE1 3.77Å; F147-Y161 HydrophobicContact CD1-CE1 3.77Å; F147-Y161 AromaticContact CD1-CE2 3.6Å; F147-Y161 HydrophobicContact CD1-CE2 3.6Å; F147-Y161 HydrophobicContact CD1-CG 4.36Å; F147-Y161 AromaticContact CD1-CZ 3.4Å; F147-Y161 AromaticContact CE1-CD1 3.51Å; F147-Y161 HydrophobicContact CE1-CD1 3.51Å; F147-Y161 AromaticContact CE1-CD2 3.92Å; F147-Y161 HydrophobicContact CE1-CD2 3.92Å; F147-Y161 AromaticContact CE1-CE1 3.42Å; F147-Y161 HydrophobicContact CE1-CE1 3.42Å; F147-Y161 VanDerWaalsContact CE1-CE1 3.42Å; F147-Y161 AromaticContact CE1-CE2 3.85Å; F147-Y161 HydrophobicContact CE1-CE2 3.85Å; F147-Y161 AromaticContact CE1-CG 3.76Å; F147-Y161 HydrophobicContact CE1-CG 3.76Å; F147-Y161 AromaticContact CE1-CZ 3.56Å; F147-Y161 HydrophobicContact CZ-CD1 4.2Å; F147-Y161 HydrophobicContact CZ-CE1 4.09Å; F147-A163 HydrophobicContact CZ-CB 4.26Å
148A53.3Low63.9Low18 Ų1846.1 Ų46.115%0.14930%0.295CS..  trans-75.8127.8-161.400000111.1I122 I123 F145I122-A148 HydrophobicContact CG2-CB 3.84Å; I123-A148 VanDerWaalsContact O-CA 3.22Å; I123-A148 WeakPolarHBondContact O-CA 3.47Å; I123-A148 WeakPolarHBondContact O-CB 3.45Å; F145-A148 HydrophobicContact CB-CB 3.94Å; F145-A148 HydrophobicContact CD1-CB 3.73Å; F145-A148 HydrophobicContact CG-CB 4.36Å; F145-A148 VanDerWaalsContact O-CB 3.23Å; F145-A148 WeakPolarHBondContact O-CB 3.12Å; F145-A148 PolarHBondContact O-N 3.46Å
149R59.1Low61.4Low49 Ų4949.2 Ų49.219%0.18531%0.31CS..EExtended strand (participates in β ladder)trans-118.8141.7-176.7-65.4-164.2-178.5-169.96.8111I123 F147 E156 V157 Y158I123-R149 PolarHBondContact N-O 2.95Å; I123-R149 PolarHBondContact O-N 3.09Å; F147-R149 PolarHBondContact O-N 2.85Å; R149-E156 IonicContact CZ-OE2 2.79Å; R149-E156 VanDerWaalsContact NH1-CB 3.27Å; R149-E156 PolarHBondContact NH1-O 3.18Å; R149-E156 IonicContact NH1-OE2 3.66Å; R149-E156 PolarHBondContact NH1-OE2 3.15Å; R149-V157 PolarHBondContact NH2-O 3.45Å; R149-Y158 VanDerWaalsContact NH1-CE1 3.3Å
150T55.9Low58.6Low53 Ų5355.8 Ų55.833%0.32535%0.346SS..EExtended strand (participates in β ladder)trans-68.5140.3164-32.10000109R50 N121 A152R50-T150 PolarHBondContact NH2-OG1 3.41Å; N121-T150 WeakPolarHBondContact O-CA 3.47Å; T150-A152 PolarHBondContact O-N 3.29Å
151L49.8Very low56.3Low76 Ų7658.2 Ų58.240%0.39836%0.355SS..SBendtrans-70.857.4176.3-79144.5000113.6N121 I123 K181N121-L151 HydrophobicContact CB-CB 4.43Å; N121-L151 HydrophobicContact CB-CD1 4.13Å; N121-L151 PolarHBondContact O-N 2.88Å; I123-L151 HydrophobicContact CD1-CD2 3.86Å; I123-L151 HydrophobicContact CD1-CG 4.07Å; I123-L151 HydrophobicContact CG1-CD1 4.21Å; I123-L151 HydrophobicContact CG1-CD2 4.35Å; I123-L151 HydrophobicContact CG1-CG 4.12Å; L151-K181 HydrophobicContact CD1-CD 4.26Å; L151-K181 HydrophobicContact CD1-CG 3.92Å
152A35.3Very low54Low73 Ų7363.2 Ų63.260%0.60339%0.388SS*.  trans-162.586.617600000114T150T150-A152 PolarHBondContact O-N 3.29Å
153A36.5Very low52.3Low46 Ų4664.4 Ų64.438%0.3840%0.397SS..  trans178.1109146.400000111.3G155 E156A153-G155 PolarHBondContact O-N 2.95Å; A153-E156 HydrophobicContact CB-CG 3.88Å
154P37.3Very low51.5Low142 Ų14265.5 Ų65.592%0.92240%0.403SS*.THydrogen-bonded Turntrans-63.5128.2167.3-19.332.7000110.6
155G42.6Very low51.9Low69 Ų6966.4 Ų66.471%0.71140%0.404SS*.THydrogen-bonded Turntrans97.54.4173.500000117A153 V157A153-G155 PolarHBondContact O-N 2.95Å; G155-V157 PolarHBondContact O-N 3.48Å
156E43.4Very low53.1Low79 Ų7969.7 Ų69.737%0.36942%0.416SS..  trans-69.594167-78.5-169.9171.800110.5R50 R149 A153 Y158R50-E156 IonicContact NH1-OE1 2.66Å; R149-E156 IonicContact CZ-OE2 2.79Å; R149-E156 VanDerWaalsContact NH1-CB 3.27Å; R149-E156 PolarHBondContact NH1-O 3.18Å; R149-E156 IonicContact NH1-OE2 3.66Å; R149-E156 PolarHBondContact NH1-OE2 3.15Å; A153-E156 HydrophobicContact CB-CG 3.88Å; E156-Y158 PolarHBondContact O-N 3.07Å
157V39.1Very low54.9Low128 Ų12869.1 Ų69.178%0.77640%0.404SS*.  trans-41.5127.8178.5-178.60000111.5R149 G155R149-V157 PolarHBondContact NH2-O 3.45Å; G155-V157 PolarHBondContact O-N 3.48Å
158Y48.1Very low56.9Low70 Ų7070.5 Ų70.528%0.27541%0.409SS..PPolyproline II helixtrans-82.2127.2176.8-50.7-79.8000108.3R149 E156 D160 V177 Y179R149-Y158 VanDerWaalsContact NH1-CE1 3.3Å; E156-Y158 PolarHBondContact O-N 3.07Å; Y158-D160 PolarHBondContact O-N 3.36Å; Y158-V177 HydrophobicContact CD2-CG1 4.28Å; Y158-V177 HydrophobicContact CE2-CB 3.81Å; Y158-V177 HydrophobicContact CE2-CG1 3.74Å; Y158-V177 PolarHBondContact OH-O 3.17Å; Y158-V177 VanDerWaalsContact OH-O 3.12Å; Y158-Y179 HydrophobicContact CD1-CE1 4.05Å; Y158-Y179 AromaticContact CE1-CE1 3.6Å; Y158-Y179 HydrophobicContact CE1-CE1 3.6Å; Y158-Y179 AromaticContact CE1-CZ 3.78Å; Y158-Y179 WeakPolarHBondContact CE1-OH 3.34Å; Y158-Y179 AromaticContact CZ-CE1 3.95Å
159T43.5Very low59Low81 Ų8169.6 Ų69.650%0.49740%0.402SS..PPolyproline II helixtrans-65.6129.6168.342.70000108.5Y161T159-Y161 WeakPolarHBondContact O-CD2 3.44Å; T159-Y161 WeakPolarHBondContact O-CE2 3.49Å; T159-Y161 WeakPolarHBondContact OG1-CE2 3.34Å; T159-Y161 PolarHBondContact OG1-OH 3.33Å
160D40.8Very low60.8Low141 Ų14167.3 Ų67.375%0.75439%0.393SS*.PPolyproline II helixtrans-67.2132.1171.8-158.2-8.5000109.1Y158Y158-D160 PolarHBondContact O-N 3.36Å
161Y49.7Very low62.7Low51 Ų5164.9 Ų64.920%0.238%0.378CS..  trans-116.4113.8-158.9-90.8-66.2000113.2Y15 F147 T159 A163 R168Y15-Y161 AromaticContact CE1-CE1 3.96Å; Y15-Y161 HydrophobicContact CE1-CE1 3.96Å; Y15-Y161 AromaticContact CZ-CE1 3.91Å; Y15-Y161 WeakPolarHBondContact OH-CD1 3.39Å; Y15-Y161 WeakPolarHBondContact OH-CE1 3.33Å; F147-Y161 HydrophobicContact CD1-CD1 4.23Å; F147-Y161 HydrophobicContact CD1-CD2 4.07Å; F147-Y161 AromaticContact CD1-CE1 3.77Å; F147-Y161 HydrophobicContact CD1-CE1 3.77Å; F147-Y161 AromaticContact CD1-CE2 3.6Å; F147-Y161 HydrophobicContact CD1-CE2 3.6Å; F147-Y161 HydrophobicContact CD1-CG 4.36Å; F147-Y161 AromaticContact CD1-CZ 3.4Å; F147-Y161 AromaticContact CE1-CD1 3.51Å; F147-Y161 HydrophobicContact CE1-CD1 3.51Å; F147-Y161 AromaticContact CE1-CD2 3.92Å; F147-Y161 HydrophobicContact CE1-CD2 3.92Å; F147-Y161 AromaticContact CE1-CE1 3.42Å; F147-Y161 HydrophobicContact CE1-CE1 3.42Å; F147-Y161 VanDerWaalsContact CE1-CE1 3.42Å; F147-Y161 AromaticContact CE1-CE2 3.85Å; F147-Y161 HydrophobicContact CE1-CE2 3.85Å; F147-Y161 AromaticContact CE1-CG 3.76Å; F147-Y161 HydrophobicContact CE1-CG 3.76Å; F147-Y161 AromaticContact CE1-CZ 3.56Å; F147-Y161 HydrophobicContact CZ-CD1 4.2Å; F147-Y161 HydrophobicContact CZ-CE1 4.09Å; T159-Y161 WeakPolarHBondContact O-CD2 3.44Å; T159-Y161 WeakPolarHBondContact O-CE2 3.49Å; T159-Y161 WeakPolarHBondContact OG1-CE2 3.34Å; T159-Y161 PolarHBondContact OG1-OH 3.33Å; Y161-A163 VanDerWaalsContact C-N 3.34Å; Y161-A163 PolarHBondContact O-N 3.25Å; Y161-A163 VanDerWaalsContact O-N 3.09Å; Y161-R168 PolarHBondContact O-NH2 2.94Å
162V48.2Very low64.7Low132 Ų13263 Ų6380%0.837%0.368SS*.  trans-79.784.1165.5-172.20000108.7S14S14-V162 PolarHBondContact OG-O 3.32Å; S14-V162 VanDerWaalsContact OG-O 3.09Å
163A60.7Low67.5Low25 Ų2559.7 Ų59.721%0.20734%0.341CS..SBendtrans-156.5154.9179.500000110.6F147 Y161 R165 R168F147-A163 HydrophobicContact CZ-CB 4.26Å; Y161-A163 VanDerWaalsContact C-N 3.34Å; Y161-A163 PolarHBondContact O-N 3.25Å; Y161-A163 VanDerWaalsContact O-N 3.09Å; A163-R165 PolarHBondContact O-N 2.93Å; A163-R165 VanDerWaalsContact O-N 3.08Å; A163-R168 PolarHBondContact O-NH2 3.27Å
164T73.5Confident70.2Confident44 Ų4457.6 Ų57.627%0.2732%0.323SS..  trans-46108.3-176.4-35.20000112.5E130 W166 Y167E130-T164 PolarHBondContact OE1-OG1 3.03Å; T164-W166 HydrophobicContact CG2-CB 4.5Å; T164-W166 HydrophobicContact CG2-CD2 3.8Å; T164-W166 HydrophobicContact CG2-CE3 3.87Å; T164-W166 HydrophobicContact CG2-CG 4.07Å; T164-W166 HydrophobicContact CG2-CZ3 4.48Å; T164-Y167 HydrophobicContact CG2-CD2 4.44Å; T164-Y167 HydrophobicContact CG2-CE2 3.89Å
165R90.1Very high72.7Confident60 Ų6052.6 Ų52.623%0.22630%0.298CS..G310 helixtrans-83-9.9-171.871.3175.664.375.8-8.4115.2A163 Y167 R168 G204 E205 S206 D207 Q210A163-R165 PolarHBondContact O-N 2.93Å; A163-R165 VanDerWaalsContact O-N 3.08Å; R165-Y167 PolarHBondContact O-N 3.28Å; R165-R168 HydrophobicContact CB-CG 4.41Å; R165-R168 WeakPolarHBondContact O-CB 3.44Å; R165-R168 WeakPolarHBondContact O-CG 3.34Å; R165-R168 PolarHBondContact O-N 3.38Å; R165-G204 VanDerWaalsContact CD-O 3.29Å; R165-G204 WeakPolarHBondContact CD-O 3.44Å; R165-G204 WeakPolarHBondContact CG-O 3.33Å; R165-G204 PolarHBondContact NH1-O 3.24Å; R165-E205 VanDerWaalsContact CZ-C 3.47Å; R165-E205 PolarHBondContact NH1-O 3.16Å; R165-E205 PolarHBondContact NH2-O 2.74Å; R165-E205 VanDerWaalsContact NH2-O 3.1Å; R165-S206 VanDerWaalsContact CD-C 3.5Å; R165-S206 VanDerWaalsContact CD-O 3.27Å; R165-S206 WeakPolarHBondContact CD-O 3.31Å; R165-D207 WeakPolarHBondContact CD-OD1 3.19Å; R165-D207 IonicContact CZ-OD1 3.82Å; R165-D207 IonicContact NE-OD1 2.67Å; R165-D207 PolarHBondContact NE-OD1 3.18Å; R165-D207 IonicContact NH2-OD1 3.63Å; R165-Q210 HydrophobicContact CG-CB 4.27Å; R165-Q210 HydrophobicContact CG-CG 4.22Å
166W95.7Very high75Confident83 Ų8349.8 Ų49.831%0.31427%0.266SS..G310 helixtrans-58.8-20.6-169.7-53.8-20.5000114.9T164 P200 F202 P203 G204 Q210T164-W166 HydrophobicContact CG2-CB 4.5Å; T164-W166 HydrophobicContact CG2-CD2 3.8Å; T164-W166 HydrophobicContact CG2-CE3 3.87Å; T164-W166 HydrophobicContact CG2-CG 4.07Å; T164-W166 HydrophobicContact CG2-CZ3 4.48Å; W166-P200 HydrophobicContact CD2-CB 4.24Å; W166-P200 HydrophobicContact CE3-CB 3.56Å; W166-P200 HydrophobicContact CE3-CG 3.87Å; W166-P200 HydrophobicContact CH2-CG 4.26Å; W166-P200 HydrophobicContact CZ3-CB 3.9Å; W166-P200 HydrophobicContact CZ3-CG 3.7Å; W166-F202 VanDerWaalsContact CA-O 3.32Å; W166-F202 WeakPolarHBondContact CA-O 3.39Å; W166-F202 VanDerWaalsContact CB-O 3.28Å; W166-F202 WeakPolarHBondContact CB-O 3.48Å; W166-P203 VanDerWaalsContact CD1-CA 3.46Å; W166-P203 HydrophobicContact CZ2-CB 4.33Å; W166-P203 PolarHBondContact NE1-O 2.82Å; W166-P203 VanDerWaalsContact NE1-O 3.13Å; W166-G204 VanDerWaalsContact CD1-N 3.35Å; W166-G204 PolarHBondContact NE1-O 3.4Å; W166-Q210 PolarHBondContact O-NE2 3.31Å
167Y96.5Very high77.1Confident19 Ų1950.3 Ų50.38%0.07527%0.274CS..G310 helixtrans-104.80.8-178.8-45.3-84.7000113.2I127 K128 P129 T164 R165 C190 L191 E194I127-Y167 WeakPolarHBondContact O-CB 3.4Å; I127-Y167 VanDerWaalsContact O-CG 3.28Å; K128-Y167 HydrophobicContact CB-CD1 4.42Å; K128-Y167 HydrophobicContact CB-CD2 3.49Å; K128-Y167 VanDerWaalsContact CB-CD2 3.49Å; K128-Y167 HydrophobicContact CB-CE1 4.4Å; K128-Y167 HydrophobicContact CB-CE2 3.47Å; K128-Y167 VanDerWaalsContact CB-CE2 3.47Å; K128-Y167 HydrophobicContact CB-CG 4.01Å; P129-Y167 VanDerWaalsContact CD-CZ 3.45Å; P129-Y167 WeakPolarHBondContact CD-OH 3.23Å; T164-Y167 HydrophobicContact CG2-CD2 4.44Å; T164-Y167 HydrophobicContact CG2-CE2 3.89Å; R165-Y167 PolarHBondContact O-N 3.28Å; Y167-C190 HydrophobicContact CD1-CB 3.97Å; Y167-L191 HydrophobicContact CE1-CD2 4.23Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.05Å; Y167-E194 PolarHBondContact OH-OE1 2.99Å; Y167-E194 VanDerWaalsContact OH-OE1 3.09Å; Y167-E194 PolarHBondContact OH-OE2 2.87Å; Y167-E194 VanDerWaalsContact OH-OE2 3.09Å
168R95.2Very high79.3Confident41 Ų4152 Ų5216%0.15527%0.272CS..  trans-72.6131.1179.7-67.8-178.7-171-1792.7110.5Y161 A163 R165 L172 L173 W186 D207Y161-R168 PolarHBondContact O-NH2 2.94Å; A163-R168 PolarHBondContact O-NH2 3.27Å; R165-R168 HydrophobicContact CB-CG 4.41Å; R165-R168 WeakPolarHBondContact O-CB 3.44Å; R165-R168 WeakPolarHBondContact O-CG 3.34Å; R165-R168 PolarHBondContact O-N 3.38Å; R168-L172 HydrophobicContact CB-CB 4.4Å; R168-L173 HydrophobicContact CB-CD1 4.39Å; R168-L173 HydrophobicContact CB-CD2 3.9Å; R168-L173 HydrophobicContact CB-CG 3.95Å; R168-L173 HydrophobicContact CG-CD2 4.49Å; R168-W186 PolarHBondContact O-NE1 3.23Å; R168-D207 IonicContact NH1-OD1 3.44Å; R168-D207 IonicContact NH1-OD2 3.58Å; R168-D207 PolarHBondContact NH1-OD2 3.07Å
169A97.1Very high81.3Confident0 Ų050.1 Ų50.10%026%0.264CS..  trans-69.9154.617100000111.8E171 L172 L173 V183 W186A169-E171 VanDerWaalsContact C-N 3.26Å; A169-E171 VanDerWaalsContact CB-CD 3.44Å; A169-E171 HydrophobicContact CB-CG 4.29Å; A169-E171 WeakPolarHBondContact CB-OE1 3.5Å; A169-E171 WeakPolarHBondContact CB-OE2 3.39Å; A169-E171 PolarHBondContact O-N 2.74Å; A169-L172 WeakPolarHBondContact O-CB 3.3Å; A169-L172 PolarHBondContact O-N 3.24Å; A169-L173 PolarHBondContact O-N 2.93Å; A169-V183 HydrophobicContact CB-CB 4.22Å; A169-V183 HydrophobicContact CB-CG1 4.16Å; A169-W186 VanDerWaalsContact CA-CD1 3.5Å; A169-W186 HydrophobicContact CB-CB 3.71Å; A169-W186 HydrophobicContact CB-CD2 4.08Å; A169-W186 HydrophobicContact CB-CG 3.6Å
170P97.3Very high83.5Confident0 Ų047.3 Ų47.30%025%0.252CS..Hα-helixtrans-54.9-38-176.9-26.534.6000114.1L172 L173 V174 W186 I214 L221 I272P170-L172 PolarHBondContact O-N 2.78Å; P170-L173 PolarHBondContact O-N 3.13Å; P170-L173 VanDerWaalsContact O-N 3.15Å; P170-V174 PolarHBondContact O-N 2.91Å; P170-V174 VanDerWaalsContact O-N 3.07Å; P170-W186 HydrophobicContact CG-CE3 4.45Å; P170-W186 HydrophobicContact CG-CH2 3.73Å; P170-W186 HydrophobicContact CG-CZ2 4.12Å; P170-W186 HydrophobicContact CG-CZ3 3.9Å; P170-I214 HydrophobicContact CG-CG2 4.22Å; P170-L221 HydrophobicContact CB-CD2 3.93Å; P170-I272 HydrophobicContact CG-CD1 4.13Å
171E96.1Very high86.2Confident2 Ų243 Ų431%0.00923%0.226CC..Hα-helixtrans-60.6-30.317760-90.6-151.400113.4A169 G175 D176 V183 H225 R277A169-E171 VanDerWaalsContact C-N 3.26Å; A169-E171 VanDerWaalsContact CB-CD 3.44Å; A169-E171 HydrophobicContact CB-CG 4.29Å; A169-E171 WeakPolarHBondContact CB-OE1 3.5Å; A169-E171 WeakPolarHBondContact CB-OE2 3.39Å; A169-E171 PolarHBondContact O-N 2.74Å; E171-G175 PolarHBondContact O-N 3.26Å; E171-D176 HydrophobicContact CB-CB 4.19Å; E171-D176 WeakPolarHBondContact O-CB 3.39Å; E171-D176 PolarHBondContact O-N 2.93Å; E171-V183 HydrophobicContact CG-CG1 3.94Å; E171-V183 WeakPolarHBondContact OE1-CG1 3.06Å; E171-H225 IonicContact OE2-CE1 2.73Å; E171-R277 IonicContact OE1-CZ 2.74Å; E171-R277 IonicContact OE1-NH1 2.8Å; E171-R277 PolarHBondContact OE1-NH1 3.08Å; E171-R277 IonicContact OE1-NH2 3.93Å; E171-R277 IonicContact OE2-CZ 2.7Å; E171-R277 IonicContact OE2-NH1 3.41Å; E171-R277 PolarHBondContact OE2-NH1 3.45Å; E171-R277 IonicContact OE2-NH2 3.29Å; E171-R277 PolarHBondContact OE2-NH2 3.15Å
172L93Very high88.4Confident37 Ų3741.4 Ų41.419%0.19422%0.223CC..Hα-helixtrans-77.5-35.9176.2-64.7177.9000111.7R168 A169 P170 G175 Y179 V183R168-L172 HydrophobicContact CB-CB 4.4Å; A169-L172 WeakPolarHBondContact O-CB 3.3Å; A169-L172 PolarHBondContact O-N 3.24Å; P170-L172 PolarHBondContact O-N 2.78Å; L172-G175 PolarHBondContact O-N 2.75Å; L172-Y179 HydrophobicContact CD2-CD1 3.58Å; L172-Y179 HydrophobicContact CD2-CD2 4Å; L172-Y179 HydrophobicContact CD2-CE1 3.94Å; L172-Y179 HydrophobicContact CD2-CE2 4.33Å; L172-Y179 HydrophobicContact CD2-CG 3.63Å; L172-V183 HydrophobicContact CD1-CB 3.99Å; L172-V183 HydrophobicContact CD1-CG1 3.95Å; L172-V183 HydrophobicContact CD1-CG2 4.47Å; L172-V183 HydrophobicContact CD2-CG1 4.15Å; L172-V183 HydrophobicContact CG-CB 4.47Å; L172-V183 HydrophobicContact CG-CG1 3.88Å
173L93.7Very high90.8Very high4 Ų435.4 Ų35.42%0.02119%0.187CC..Hα-helixtrans-72.8-36.6-178-65.7166000112.3R168 A169 P170 G175 D207 Q210 L211 I214 F235R168-L173 HydrophobicContact CB-CD1 4.39Å; R168-L173 HydrophobicContact CB-CD2 3.9Å; R168-L173 HydrophobicContact CB-CG 3.95Å; R168-L173 HydrophobicContact CG-CD2 4.49Å; A169-L173 PolarHBondContact O-N 2.93Å; P170-L173 PolarHBondContact O-N 3.13Å; P170-L173 VanDerWaalsContact O-N 3.15Å; L173-G175 VanDerWaalsContact C-N 3.29Å; L173-D207 HydrophobicContact CD2-CB 4Å; L173-Q210 HydrophobicContact CD1-CB 4.12Å; L173-Q210 HydrophobicContact CD1-CG 3.49Å; L173-Q210 VanDerWaalsContact CD1-CG 3.49Å; L173-Q210 HydrophobicContact CD2-CB 4.14Å; L173-Q210 HydrophobicContact CD2-CG 3.89Å; L173-Q210 HydrophobicContact CG-CG 4.36Å; L173-L211 HydrophobicContact CB-CD1 4.24Å; L173-L211 HydrophobicContact CB-CD2 3.81Å; L173-L211 HydrophobicContact CB-CG 3.92Å; L173-L211 HydrophobicContact CD1-CD2 3.86Å; L173-L211 HydrophobicContact CD1-CG 4.12Å; L173-I214 HydrophobicContact CD1-CD1 3.64Å; L173-F235 WeakPolarHBondContact O-CE2 3.47Å; L173-F235 WeakPolarHBondContact O-CZ 3.45Å
174V93.8Very high92.5Very high1 Ų134.2 Ų34.21%0.00618%0.177CC..THydrogen-bonded Turntrans-78-14.6174.1-55.60000113.2P170 L211 L221 H225 L228 F229 N232P170-V174 PolarHBondContact O-N 2.91Å; P170-V174 VanDerWaalsContact O-N 3.07Å; V174-L211 HydrophobicContact CG1-CD1 4.16Å; V174-L211 HydrophobicContact CG1-CD2 4.43Å; V174-L221 HydrophobicContact CG1-CD1 4.01Å; V174-H225 HydrophobicContact CG1-CB 4.23Å; V174-H225 HydrophobicContact CG2-CB 4.12Å; V174-L228 HydrophobicContact CB-CB 4.35Å; V174-L228 HydrophobicContact CG2-CB 4.04Å; V174-L228 HydrophobicContact CG2-CD1 4.35Å; V174-F229 HydrophobicContact CB-CB 4.29Å; V174-F229 HydrophobicContact CG1-CB 4.04Å; V174-F229 HydrophobicContact CG1-CD2 4.44Å; V174-N232 PolarHBondContact O-ND2 3.01Å; V174-N232 VanDerWaalsContact O-ND2 3.08Å
175G89.7Confident93.7Very high38 Ų3832.3 Ų32.339%0.39217%0.165SC..THydrogen-bonded Turntrans85.133.1-179.600000114.9E171 L172 L173 V177E171-G175 PolarHBondContact O-N 3.26Å; L172-G175 PolarHBondContact O-N 2.75Å; L173-G175 VanDerWaalsContact C-N 3.29Å; G175-V177 PolarHBondContact O-N 2.91Å
176D90.8Very high94.2Very high10 Ų1029.4 Ų29.45%0.05315%0.154CC..  trans-64.1134.7170.6-159.3-36.7000110E171 K178 Y179 R224 L228E171-D176 HydrophobicContact CB-CB 4.19Å; E171-D176 WeakPolarHBondContact O-CB 3.39Å; E171-D176 PolarHBondContact O-N 2.93Å; D176-K178 WeakPolarHBondContact OD1-CB 3.35Å; D176-K178 PolarHBondContact OD1-N 3.11Å; D176-Y179 WeakPolarHBondContact O-CD1 3.37Å; D176-R224 IonicContact OD1-NH2 3.76Å; D176-R224 PolarHBondContact OD1-NH2 2.81Å; D176-R224 IonicContact OD2-CZ 3.65Å; D176-R224 IonicContact OD2-NE 3.68Å; D176-R224 PolarHBondContact OD2-NE 3.1Å; D176-R224 IonicContact OD2-NH2 2.71Å; D176-R224 PolarHBondContact OD2-NH2 3.27Å; D176-L228 HydrophobicContact CB-CD1 3.59Å; D176-L228 VanDerWaalsContact CG-CD1 3.41Å; D176-L228 WeakPolarHBondContact OD2-CD1 3.5Å
177V86.1Confident94.3Very high89 Ų8925.7 Ų25.754%0.53914%0.141SC..SBendtrans-92.5-5.3178.4-57.70000113Y158 G175Y158-V177 HydrophobicContact CD2-CG1 4.28Å; Y158-V177 HydrophobicContact CE2-CB 3.81Å; Y158-V177 HydrophobicContact CE2-CG1 3.74Å; Y158-V177 PolarHBondContact OH-O 3.17Å; Y158-V177 VanDerWaalsContact OH-O 3.12Å; G175-V177 PolarHBondContact O-N 2.91Å
178K86.8Confident94.4Very high165 Ų16524.8 Ų24.872%0.71714%0.138SC*.  trans-111.432.7-179.3-56.5176.4-178175.10111.9D176D176-K178 WeakPolarHBondContact OD1-CB 3.35Å; D176-K178 PolarHBondContact OD1-N 3.11Å
179Y88.7Confident94.6Very high29 Ų2922.9 Ų22.911%0.11413%0.13CC..  trans-68.5159.4170.368-96.1000111.2I123 R125 Y158 L172 D176 V183I123-Y179 HydrophobicContact CD1-CD2 4.11Å; I123-Y179 HydrophobicContact CD1-CE2 3.93Å; R125-Y179 HydrophobicContact CG-CE2 4.35Å; R125-Y179 VanDerWaalsContact CZ-OH 3.3Å; R125-Y179 PolarHBondContact NE-OH 3.37Å; Y158-Y179 HydrophobicContact CD1-CE1 4.05Å; Y158-Y179 AromaticContact CE1-CE1 3.6Å; Y158-Y179 HydrophobicContact CE1-CE1 3.6Å; Y158-Y179 AromaticContact CE1-CZ 3.78Å; Y158-Y179 WeakPolarHBondContact CE1-OH 3.34Å; Y158-Y179 AromaticContact CZ-CE1 3.95Å; L172-Y179 HydrophobicContact CD2-CD1 3.58Å; L172-Y179 HydrophobicContact CD2-CD2 4Å; L172-Y179 HydrophobicContact CD2-CE1 3.94Å; L172-Y179 HydrophobicContact CD2-CE2 4.33Å; L172-Y179 HydrophobicContact CD2-CG 3.63Å; D176-Y179 WeakPolarHBondContact O-CD1 3.37Å; Y179-V183 HydrophobicContact CD2-CG1 4.04Å; Y179-V183 HydrophobicContact CD2-CG2 4.49Å; Y179-V183 HydrophobicContact CG-CG1 4.29Å
180G91.3Very high94.6Very high23 Ų2323 Ų2324%0.23713%0.131CC..  trans-138.6-159-176.100000113.6A182 V183G180-A182 PolarHBondContact O-N 3.16Å; G180-A182 VanDerWaalsContact O-N 3.09Å; G180-V183 WeakPolarHBondContact O-CG2 3.24Å; G180-V183 PolarHBondContact O-N 3.49Å
181K95.5Very high94.7Very high51 Ų5123 Ų2322%0.22213%0.131CC..THydrogen-bonded Turntrans-53.4-28.6178.7-66179.5-171.6-177.50113.5H118 N121 L151 V183 D184H118-K181 HydrophobicContact CB-CD 3.97Å; H118-K181 PolarHBondContact CE1-O 3.07Å; H118-K181 VanDerWaalsContact CE1-O 3.24Å; H118-K181 VanDerWaalsContact O-CE 3.31Å; H118-K181 WeakPolarHBondContact O-CE 3.48Å; H118-K181 PolarHBondContact O-NZ 3.38Å; N121-K181 WeakPolarHBondContact OD1-CE 3.35Å; N121-K181 PolarHBondContact OD1-NZ 2.86Å; L151-K181 HydrophobicContact CD1-CD 4.26Å; L151-K181 HydrophobicContact CD1-CG 3.92Å; K181-V183 PolarHBondContact O-N 2.78Å; K181-V183 VanDerWaalsContact O-N 3.12Å; K181-D184 PolarHBondContact O-N 2.74Å; K181-D184 VanDerWaalsContact O-N 3.17Å
182A97.8Very high94.8Very high17 Ų1722.9 Ų22.914%0.1413%0.131CC..Hα-helixtrans-57-20.3178.300000115.3G180 V185 W186 P274 R277G180-A182 PolarHBondContact O-N 3.16Å; G180-A182 VanDerWaalsContact O-N 3.09Å; A182-V185 PolarHBondContact O-N 2.97Å; A182-W186 PolarHBondContact O-N 3.15Å; A182-W186 VanDerWaalsContact O-N 3.11Å; A182-P274 HydrophobicContact CB-CB 3.81Å; A182-R277 PolarHBondContact O-NH1 2.92Å
183V97.1Very high95.1Very high5 Ų521.1 Ų21.13%0.0312%0.122CC..Hα-helixtrans-70.3-34.2176.6-54.20000112.4I123 R125 A169 E171 L172 Y179 G180 K181 V185 A187I123-V183 HydrophobicContact CG2-CG2 3.41Å; I123-V183 VanDerWaalsContact CG2-CG2 3.41Å; R125-V183 HydrophobicContact CG-CG2 4.29Å; A169-V183 HydrophobicContact CB-CB 4.22Å; A169-V183 HydrophobicContact CB-CG1 4.16Å; E171-V183 HydrophobicContact CG-CG1 3.94Å; E171-V183 WeakPolarHBondContact OE1-CG1 3.06Å; L172-V183 HydrophobicContact CD1-CB 3.99Å; L172-V183 HydrophobicContact CD1-CG1 3.95Å; L172-V183 HydrophobicContact CD1-CG2 4.47Å; L172-V183 HydrophobicContact CD2-CG1 4.15Å; L172-V183 HydrophobicContact CG-CB 4.47Å; L172-V183 HydrophobicContact CG-CG1 3.88Å; Y179-V183 HydrophobicContact CD2-CG1 4.04Å; Y179-V183 HydrophobicContact CD2-CG2 4.49Å; Y179-V183 HydrophobicContact CG-CG1 4.29Å; G180-V183 WeakPolarHBondContact O-CG2 3.24Å; G180-V183 PolarHBondContact O-N 3.49Å; K181-V183 PolarHBondContact O-N 2.78Å; K181-V183 VanDerWaalsContact O-N 3.12Å; V183-V185 VanDerWaalsContact C-N 3.34Å; V183-A187 PolarHBondContact O-N 3.1Å
184D97.9Very high95.3Very high1 Ų121.4 Ų21.41%0.00512%0.123CC..Hα-helixtrans-72.7-34.1177.1-58.8-32.9000110.3I114 H118 I123 H124 R125 K181 A187 I188I114-D184 HydrophobicContact CG2-CB 3.82Å; H118-D184 IonicContact CD2-OD2 2.69Å; H118-D184 IonicContact CE1-OD2 2.64Å; H118-D184 IonicContact NE2-OD2 2.62Å; H118-D184 PolarHBondContact NE2-OD2 2.76Å; I123-D184 WeakPolarHBondContact CA-OD2 3.38Å; I123-D184 VanDerWaalsContact CG2-OD2 3.29Å; I123-D184 WeakPolarHBondContact CG2-OD2 3.35Å; H124-D184 PolarHBondContact N-OD1 3.36Å; H124-D184 PolarHBondContact N-OD2 3.36Å; R125-D184 PolarHBondContact N-OD1 3.33Å; K181-D184 PolarHBondContact O-N 2.74Å; K181-D184 VanDerWaalsContact O-N 3.17Å; D184-A187 PolarHBondContact O-N 3.36Å; D184-I188 WeakPolarHBondContact O-CG1 3.35Å; D184-I188 PolarHBondContact O-N 3.21Å
185V98.8Very high95.5Very high3 Ų321.4 Ų21.42%0.01812%0.123CC..Hα-helixtrans-64.4-41.8175.7178.90000111.3A182 V183 I188 G189 C269 R277 L283A182-V185 PolarHBondContact O-N 2.97Å; V183-V185 VanDerWaalsContact C-N 3.34Å; V185-I188 WeakPolarHBondContact O-CB 3.46Å; V185-I188 PolarHBondContact O-N 3.41Å; V185-G189 PolarHBondContact O-N 3.09Å; V185-C269 HydrophobicContact CG1-CB 4.27Å; V185-C269 WeakPolarHBondContact O-CB 3.4Å; V185-R277 HydrophobicContact CB-CB 4.5Å; V185-R277 HydrophobicContact CG1-CB 3.98Å; V185-L283 HydrophobicContact CG1-CD1 4.26Å
186W98.8Very high95.9Very high0 Ų020.6 Ų20.60%011%0.109CC..Hα-helixtrans-59.1-47.2172.6177.2-82.5000112.1R168 A169 P170 A182 I188 G189 C190 F202 I214 L218 L270 I272R168-W186 PolarHBondContact O-NE1 3.23Å; A169-W186 VanDerWaalsContact CA-CD1 3.5Å; A169-W186 HydrophobicContact CB-CB 3.71Å; A169-W186 HydrophobicContact CB-CD2 4.08Å; A169-W186 HydrophobicContact CB-CG 3.6Å; P170-W186 HydrophobicContact CG-CE3 4.45Å; P170-W186 HydrophobicContact CG-CH2 3.73Å; P170-W186 HydrophobicContact CG-CZ2 4.12Å; P170-W186 HydrophobicContact CG-CZ3 3.9Å; A182-W186 PolarHBondContact O-N 3.15Å; A182-W186 VanDerWaalsContact O-N 3.11Å; W186-I188 VanDerWaalsContact C-N 3.32Å; W186-I188 PolarHBondContact O-N 3.44Å; W186-G189 VanDerWaalsContact O-CA 3.3Å; W186-G189 WeakPolarHBondContact O-CA 3.45Å; W186-G189 PolarHBondContact O-N 2.8Å; W186-C190 PolarHBondContact O-N 3.43Å; W186-F202 HydrophobicContact CZ2-CD2 4.35Å; W186-F202 AromaticContact CZ2-CE2 3.95Å; W186-F202 HydrophobicContact CZ2-CE2 3.95Å; W186-I214 HydrophobicContact CH2-CG2 3.81Å; W186-I214 HydrophobicContact CZ2-CD1 3.74Å; W186-I214 HydrophobicContact CZ2-CG1 3.91Å; W186-I214 HydrophobicContact CZ2-CG2 4.06Å; W186-L218 HydrophobicContact CH2-CD1 3.53Å; W186-L218 HydrophobicContact CZ2-CD1 4.27Å; W186-L218 HydrophobicContact CZ3-CD1 4.2Å; W186-L270 HydrophobicContact CD2-CD2 3.82Å; W186-L270 HydrophobicContact CE3-CB 4.5Å; W186-L270 HydrophobicContact CE3-CD2 4.08Å; W186-L270 HydrophobicContact CG-CD2 4.28Å; W186-L270 HydrophobicContact CH2-CD2 4.34Å; W186-L270 HydrophobicContact CZ2-CD2 4.07Å; W186-L270 HydrophobicContact CZ3-CB 4.31Å; W186-L270 HydrophobicContact CZ3-CD2 4.35Å; W186-L270 VanDerWaalsContact CZ3-O 3.23Å; W186-L270 WeakPolarHBondContact CZ3-O 3.49Å; W186-I272 HydrophobicContact CH2-CD1 4.03Å; W186-I272 HydrophobicContact CZ3-CD1 4.29Å
187A98.4Very high96.3Very high4 Ų423 Ų233%0.03312%0.121CC..Hα-helixtrans-62.4-38178.800000112.4I127 V183 D184 G189 C190 L191I127-A187 HydrophobicContact CB-CB 3.75Å; I127-A187 HydrophobicContact CG2-CB 3.74Å; V183-A187 PolarHBondContact O-N 3.1Å; D184-A187 PolarHBondContact O-N 3.36Å; A187-G189 VanDerWaalsContact C-N 3.27Å; A187-G189 PolarHBondContact O-N 3.34Å; A187-C190 PolarHBondContact O-N 3.28Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.08Å
188I98.8Very high96.8Very high1 Ų119.6 Ų19.61%0.00510%0.104CC..Hα-helixtrans-58.6-40.7169.4-67.8163.6000110.6L107 I110 I111 I114 D184 V185 W186 L191 V192L107-I188 HydrophobicContact CD2-CG2 4.29Å; I110-I188 HydrophobicContact CG2-CD1 4.46Å; I110-I188 HydrophobicContact CG2-CG1 4.07Å; I111-I188 HydrophobicContact CD1-CG2 4.36Å; I111-I188 HydrophobicContact CG1-CD1 4.16Å; I111-I188 HydrophobicContact CG1-CG2 4.07Å; I114-I188 HydrophobicContact CB-CD1 4.37Å; I114-I188 HydrophobicContact CG1-CD1 4.21Å; I114-I188 HydrophobicContact CG2-CD1 4.4Å; D184-I188 WeakPolarHBondContact O-CG1 3.35Å; D184-I188 PolarHBondContact O-N 3.21Å; V185-I188 WeakPolarHBondContact O-CB 3.46Å; V185-I188 PolarHBondContact O-N 3.41Å; W186-I188 VanDerWaalsContact C-N 3.32Å; W186-I188 PolarHBondContact O-N 3.44Å; I188-L191 WeakPolarHBondContact O-CB 3.46Å; I188-L191 PolarHBondContact O-N 3.14Å; I188-V192 VanDerWaalsContact O-CG2 3.29Å; I188-V192 WeakPolarHBondContact O-CG2 3.32Å; I188-V192 PolarHBondContact O-N 3.4Å
189G98.7Very high97.2Very high0 Ų017.6 Ų17.60%010%0.097CC..Hα-helixtrans-58.2-44.9174.500000114.2V185 W186 A187 L191 V192V185-G189 PolarHBondContact O-N 3.09Å; W186-G189 VanDerWaalsContact O-CA 3.3Å; W186-G189 WeakPolarHBondContact O-CA 3.45Å; W186-G189 PolarHBondContact O-N 2.8Å; A187-G189 VanDerWaalsContact C-N 3.27Å; A187-G189 PolarHBondContact O-N 3.34Å; G189-L191 VanDerWaalsContact C-N 3.34Å; G189-V192 PolarHBondContact O-N 3.01Å
190C98.8Very high97.6Very high2 Ų217.8 Ų17.81%0.01410%0.102CC..Hα-helixtrans-60.9-44172.8-67.50000111.6Y167 W186 A187 V192 I193 E194Y167-C190 HydrophobicContact CD1-CB 3.97Å; W186-C190 PolarHBondContact O-N 3.43Å; A187-C190 PolarHBondContact O-N 3.28Å; C190-V192 VanDerWaalsContact C-N 3.32Å; C190-V192 PolarHBondContact O-N 3.09Å; C190-I193 PolarHBondContact O-N 2.89Å; C190-E194 PolarHBondContact O-N 3.39Å
191L98.5Very high97.9Very high0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-64.6-29.6-179.8-72.8169.6000113.6I127 P129 I132 Y167 A187 I188 G189 I193 M195I127-L191 HydrophobicContact CG2-CD1 3.5Å; P129-L191 HydrophobicContact CG-CD2 3.7Å; I132-L191 HydrophobicContact CD1-CD1 3.55Å; I132-L191 HydrophobicContact CD1-CD2 4.23Å; Y167-L191 HydrophobicContact CE1-CD2 4.23Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.08Å; I188-L191 WeakPolarHBondContact O-CB 3.46Å; I188-L191 PolarHBondContact O-N 3.14Å; G189-L191 VanDerWaalsContact C-N 3.34Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 3.11Å; L191-M195 HydrophobicContact CB-CE 4.23Å; L191-M195 VanDerWaalsContact O-CB 3.32Å; L191-M195 WeakPolarHBondContact O-CB 3.29Å; L191-M195 WeakPolarHBondContact O-CE 3.34Å; L191-M195 WeakPolarHBondContact O-CG 3.36Å; L191-M195 PolarHBondContact O-N 3.34Å
192V98.4Very high98Very high1 Ų114.4 Ų14.41%0.0068%0.081CC..Hα-helixtrans-58.1-46.7174.1178.20000110.9L107 I188 G189 C190 L196 V262 L265 A266L107-V192 HydrophobicContact CD1-CB 4.38Å; L107-V192 HydrophobicContact CD1-CG1 4.4Å; L107-V192 HydrophobicContact CD1-CG2 3.81Å; L107-V192 HydrophobicContact CD2-CG2 4.05Å; I188-V192 VanDerWaalsContact O-CG2 3.29Å; I188-V192 WeakPolarHBondContact O-CG2 3.32Å; I188-V192 PolarHBondContact O-N 3.4Å; G189-V192 PolarHBondContact O-N 3.01Å; C190-V192 VanDerWaalsContact C-N 3.32Å; C190-V192 PolarHBondContact O-N 3.09Å; V192-L196 WeakPolarHBondContact O-CD1 3.49Å; V192-V262 HydrophobicContact CG1-CG1 3.74Å; V192-L265 HydrophobicContact CG1-CD2 4.39Å; V192-L265 HydrophobicContact CG2-CD2 4.1Å; V192-L265 HydrophobicContact CG2-CG 4.27Å; V192-A266 HydrophobicContact CB-CB 4.46Å; V192-A266 HydrophobicContact CG1-CB 4.3Å
193I98.3Very high98Very high0 Ų015.7 Ų15.70%09%0.088CC..Hα-helixtrans-76-47.1-178.2-55.7-59.8000110.6C190 L191 M195 L196 M197 L201 L251 Y255 L258 A266C190-I193 PolarHBondContact O-N 2.89Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 3.11Å; I193-M195 VanDerWaalsContact C-N 3.34Å; I193-M195 PolarHBondContact O-N 3.44Å; I193-L196 PolarHBondContact O-N 3.11Å; I193-L196 VanDerWaalsContact O-N 3.11Å; I193-M197 HydrophobicContact CG2-CG 3.89Å; I193-M197 WeakPolarHBondContact O-CB 3.28Å; I193-M197 WeakPolarHBondContact O-CG 3.4Å; I193-M197 PolarHBondContact O-N 3.11Å; I193-L201 HydrophobicContact CB-CB 4.39Å; I193-L201 HydrophobicContact CB-CD1 4.36Å; I193-L201 HydrophobicContact CB-CD2 4.45Å; I193-L201 HydrophobicContact CG1-CD1 4.35Å; I193-L201 HydrophobicContact CG1-CD2 4.14Å; I193-L201 HydrophobicContact CG2-CD1 4.07Å; I193-L251 HydrophobicContact CG1-CD2 4.46Å; I193-Y255 HydrophobicContact CG2-CD2 4.05Å; I193-Y255 HydrophobicContact CG2-CE1 4.14Å; I193-Y255 HydrophobicContact CG2-CE2 3.6Å; I193-Y255 HydrophobicContact CG2-CG 4.49Å; I193-L258 HydrophobicContact CD1-CD1 3.76Å; I193-A266 HydrophobicContact CD1-CB 3.81Å; I193-A266 HydrophobicContact CG1-CB 4.17Å
194E98.4Very high97.9Very high10 Ų1015.4 Ų15.45%0.0479%0.086CC..Hα-helixtrans-59.4-43-178-179.4177.8-142.600112.3L91 P129 Y167 C190 L196 M197 G198 Q199L91-E194 HydrophobicContact CD1-CG 4.07Å; P129-E194 WeakPolarHBondContact CG-OE2 3.47Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.05Å; Y167-E194 PolarHBondContact OH-OE1 2.99Å; Y167-E194 VanDerWaalsContact OH-OE1 3.09Å; Y167-E194 PolarHBondContact OH-OE2 2.87Å; Y167-E194 VanDerWaalsContact OH-OE2 3.09Å; C190-E194 PolarHBondContact O-N 3.39Å; E194-L196 VanDerWaalsContact C-N 3.27Å; E194-L196 PolarHBondContact O-N 3.45Å; E194-M197 PolarHBondContact O-N 3.35Å; E194-G198 WeakPolarHBondContact O-CA 3.49Å; E194-G198 PolarHBondContact O-N 2.8Å; E194-Q199 WeakPolarHBondContact CA-O 3.46Å
195M98.7Very high97.5Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-68.1-22.8178.9-72.4-167.5-69.900114.2I87 L98 V103 Y106 L107 I110 L191 I193I87-M195 HydrophobicContact CD1-SD 3.86Å; I87-M195 HydrophobicContact CG2-CG 4.02Å; I87-M195 HydrophobicContact CG2-SD 3.8Å; L98-M195 WeakPolarHBondContact CB-O 3.41Å; L98-M195 HydrophobicContact CD1-CB 4.34Å; L98-M195 HydrophobicContact CD1-CG 4.34Å; L98-M195 HydrophobicContact CD1-SD 4.45Å; L98-M195 PolarHBondContact N-O 2.78Å; V103-M195 HydrophobicContact CG1-CB 4.09Å; V103-M195 HydrophobicContact CG1-CE 4.25Å; V103-M195 HydrophobicContact CG2-CB 3.88Å; Y106-M195 HydrophobicContact CD2-SD 4.13Å; L107-M195 HydrophobicContact CD1-CE 4.4Å; L107-M195 HydrophobicContact CD2-CE 3.35Å; L107-M195 HydrophobicContact CG-CE 3.53Å; I110-M195 HydrophobicContact CD1-CE 4.16Å; L191-M195 HydrophobicContact CB-CE 4.23Å; L191-M195 VanDerWaalsContact O-CB 3.32Å; L191-M195 WeakPolarHBondContact O-CB 3.29Å; L191-M195 WeakPolarHBondContact O-CE 3.34Å; L191-M195 WeakPolarHBondContact O-CG 3.36Å; L191-M195 PolarHBondContact O-N 3.34Å; I193-M195 VanDerWaalsContact C-N 3.34Å; I193-M195 PolarHBondContact O-N 3.44Å
196L98.4Very high97.2Very high22 Ų2225.6 Ų25.612%0.11514%0.138CC..Hα-helixtrans-95.3-19.2177.4-71.6167.3000113.7Y100 V103 V192 I193 E194 L258 V262Y100-L196 HydrophobicContact CD2-CD2 4.31Å; V103-L196 HydrophobicContact CB-CD2 3.98Å; V103-L196 HydrophobicContact CB-CG 4.32Å; V103-L196 HydrophobicContact CG1-CD1 4.38Å; V103-L196 HydrophobicContact CG1-CD2 4.18Å; V103-L196 HydrophobicContact CG1-CG 3.99Å; V103-L196 HydrophobicContact CG2-CD2 3.62Å; V103-L196 HydrophobicContact CG2-CG 4Å; V192-L196 WeakPolarHBondContact O-CD1 3.49Å; I193-L196 PolarHBondContact O-N 3.11Å; I193-L196 VanDerWaalsContact O-N 3.11Å; E194-L196 VanDerWaalsContact C-N 3.27Å; E194-L196 PolarHBondContact O-N 3.45Å; L196-L258 HydrophobicContact CB-CD2 3.9Å; L196-L258 HydrophobicContact CD1-CD2 4.17Å; L196-V262 HydrophobicContact CD1-CB 4.36Å; L196-V262 HydrophobicContact CD1-CG1 3.4Å; L196-V262 VanDerWaalsContact CD1-CG1 3.4Å; L196-V262 HydrophobicContact CD1-CG2 3.98Å
197M97.8Very high96.8Very high59 Ų5927.3 Ų27.329%0.29115%0.148SC..Hα-helixtrans-114-11-174.8-60.5-56.8-44.600114.2I193 E194 Q199 Y255 L258I193-M197 HydrophobicContact CG2-CG 3.89Å; I193-M197 WeakPolarHBondContact O-CB 3.28Å; I193-M197 WeakPolarHBondContact O-CG 3.4Å; I193-M197 PolarHBondContact O-N 3.11Å; E194-M197 PolarHBondContact O-N 3.35Å; M197-Q199 PolarHBondContact O-N 3.04Å; M197-Y255 HydrophobicContact CB-CE1 4.31Å; M197-Y255 HydrophobicContact CE-CD1 3.84Å; M197-Y255 HydrophobicContact CE-CE1 4.23Å; M197-Y255 HydrophobicContact CG-CD1 3.7Å; M197-Y255 HydrophobicContact CG-CE1 3.76Å; M197-Y255 HydrophobicContact CG-CG 4.48Å; M197-Y255 HydrophobicContact SD-CD1 3.8Å; M197-Y255 HydrophobicContact SD-CE1 4.39Å; M197-L258 HydrophobicContact CG-CD1 4.33Å; M197-L258 HydrophobicContact SD-CD1 4.13Å; M197-L258 HydrophobicContact SD-CD2 3.83Å; M197-L258 HydrophobicContact SD-CG 3.99Å
198G96.8Very high96.6Very high18 Ų1829.3 Ų29.319%0.18616%0.157CC..SBendtrans72.84.8-176.900000114.5E194E194-G198 WeakPolarHBondContact O-CA 3.49Å; E194-G198 PolarHBondContact O-N 2.8Å
199Q95.5Very high96.3Very high123 Ų12331.5 Ų31.558%0.57517%0.169SC*.SBendtrans-134.8137.8-172.4-64-173.7-4.600112E194 M197 L201E194-Q199 WeakPolarHBondContact CA-O 3.46Å; M197-Q199 PolarHBondContact O-N 3.04Å; Q199-L201 PolarHBondContact O-N 3.35Å
200P97.1Very high96.2Very high33 Ų3331.5 Ų31.521%0.21417%0.169CC..  trans-62.6131.6177.726.3-36.3000111.5W166 F202 P203W166-P200 HydrophobicContact CD2-CB 4.24Å; W166-P200 HydrophobicContact CE3-CB 3.56Å; W166-P200 HydrophobicContact CE3-CG 3.87Å; W166-P200 HydrophobicContact CH2-CG 4.26Å; W166-P200 HydrophobicContact CZ3-CB 3.9Å; W166-P200 HydrophobicContact CZ3-CG 3.7Å; P200-F202 PolarHBondContact O-N 2.99Å; P200-P203 HydrophobicContact CB-CB 4.49Å; P200-P203 HydrophobicContact CG-CB 4.02Å
201L97.9Very high96.1Very high3 Ų331.4 Ų31.42%0.01617%0.168CC..SBendtrans-61.4-43.5-174.917561.7000113.2I193 Q199 L251 R254 Y255 L270I193-L201 HydrophobicContact CB-CB 4.39Å; I193-L201 HydrophobicContact CB-CD1 4.36Å; I193-L201 HydrophobicContact CB-CD2 4.45Å; I193-L201 HydrophobicContact CG1-CD1 4.35Å; I193-L201 HydrophobicContact CG1-CD2 4.14Å; I193-L201 HydrophobicContact CG2-CD1 4.07Å; Q199-L201 PolarHBondContact O-N 3.35Å; L201-L251 HydrophobicContact CD1-CD2 3.6Å; L201-L251 HydrophobicContact CD2-CD2 4.31Å; L201-R254 PolarHBondContact O-NH1 3.35Å; L201-R254 PolarHBondContact O-NH2 3.32Å; L201-Y255 HydrophobicContact CD1-CE2 3.76Å; L201-L270 HydrophobicContact CD2-CD1 3.45Å; L201-L270 VanDerWaalsContact CD2-CD1 3.45Å; L201-L270 HydrophobicContact CD2-CD2 4.47Å
202F97.8Very high95.9Very high1 Ų135.3 Ų35.30%0.00419%0.186CC..  trans-131.584.4-176.3-57.9-49.2000110.4W166 W186 P200 G204 Q210 H213 I214 C217 L218 L270W166-F202 VanDerWaalsContact CA-O 3.32Å; W166-F202 WeakPolarHBondContact CA-O 3.39Å; W166-F202 VanDerWaalsContact CB-O 3.28Å; W166-F202 WeakPolarHBondContact CB-O 3.48Å; W186-F202 HydrophobicContact CZ2-CD2 4.35Å; W186-F202 AromaticContact CZ2-CE2 3.95Å; W186-F202 HydrophobicContact CZ2-CE2 3.95Å; P200-F202 PolarHBondContact O-N 2.99Å; F202-G204 VanDerWaalsContact C-N 3.3Å; F202-G204 PolarHBondContact O-N 2.86Å; F202-G204 VanDerWaalsContact O-N 3.11Å; F202-Q210 PolarHBondContact O-NE2 3.15Å; F202-Q210 PolarHBondContact O-OE1 3.18Å; F202-H213 HydrophobicContact CB-CB 4.17Å; F202-H213 HydrophobicContact CD1-CB 4.07Å; F202-H213 WeakPolarHBondContact CE1-O 3.29Å; F202-I214 HydrophobicContact CB-CG1 4.43Å; F202-I214 HydrophobicContact CD1-CG1 4.39Å; F202-I214 HydrophobicContact CD2-CG1 3.75Å; F202-I214 HydrophobicContact CE2-CG1 4.04Å; F202-I214 HydrophobicContact CG-CG1 3.95Å; F202-I214 HydrophobicContact CZ-CG1 4.49Å; F202-C217 HydrophobicContact CE1-CB 3.57Å; F202-C217 HydrophobicContact CZ-CB 4.07Å; F202-L218 HydrophobicContact CE2-CD1 3.98Å; F202-L218 HydrophobicContact CZ-CD1 3.64Å; F202-L218 HydrophobicContact CZ-CG 4.18Å; F202-L270 HydrophobicContact CE2-CD2 4.34Å
203P96.3Very high95.7Very high43 Ų4338 Ų3828%0.27920%0.199SC..  trans-85.137.4-167.634.7-37.3000115.5W166 P200W166-P203 VanDerWaalsContact CD1-CA 3.46Å; W166-P203 HydrophobicContact CZ2-CB 4.33Å; W166-P203 PolarHBondContact NE1-O 2.82Å; W166-P203 VanDerWaalsContact NE1-O 3.13Å; P200-P203 HydrophobicContact CB-CB 4.49Å; P200-P203 HydrophobicContact CG-CB 4.02Å
204G95Very high95.7Very high0 Ų038 Ų380%020%0.199CC..  trans-62.9138.1-16700000116.9R165 W166 F202 D209 Q210R165-G204 VanDerWaalsContact CD-O 3.29Å; R165-G204 WeakPolarHBondContact CD-O 3.44Å; R165-G204 WeakPolarHBondContact CG-O 3.33Å; R165-G204 PolarHBondContact NH1-O 3.24Å; W166-G204 VanDerWaalsContact CD1-N 3.35Å; W166-G204 PolarHBondContact NE1-O 3.4Å; F202-G204 VanDerWaalsContact C-N 3.3Å; F202-G204 PolarHBondContact O-N 2.86Å; F202-G204 VanDerWaalsContact O-N 3.11Å; G204-D209 WeakPolarHBondContact CA-OD2 3.33Å; G204-Q210 VanDerWaalsContact CA-OE1 3.28Å
205E91Very high95.5Very high172 Ų17237.6 Ų37.680%0.80420%0.197SC*.SBendtrans-83.6-22.3-178.1-62.2-159.4138.400113.7R165 D209R165-E205 VanDerWaalsContact CZ-C 3.47Å; R165-E205 PolarHBondContact NH1-O 3.16Å; R165-E205 PolarHBondContact NH2-O 2.74Å; R165-E205 VanDerWaalsContact NH2-O 3.1Å; E205-D209 PolarHBondContact N-OD2 2.92Å
206S90.9Very high95.3Very high45 Ų4539.1 Ų39.132%0.31521%0.206SC..SBendtrans-138.8167.7174.170.60000110.9R165 I208 D209 Q210R165-S206 VanDerWaalsContact CD-C 3.5Å; R165-S206 VanDerWaalsContact CD-O 3.27Å; R165-S206 WeakPolarHBondContact CD-O 3.31Å; S206-I208 VanDerWaalsContact C-N 3.3Å; S206-I208 PolarHBondContact O-N 3.03Å; S206-I208 VanDerWaalsContact OG-CG2 3.26Å; S206-I208 WeakPolarHBondContact OG-CG2 3.43Å; S206-D209 PolarHBondContact O-N 2.74Å; S206-D209 VanDerWaalsContact OG-CB 3.23Å; S206-D209 WeakPolarHBondContact OG-CB 3.18Å; S206-D209 PolarHBondContact OG-N 2.9Å; S206-Q210 WeakPolarHBondContact O-CB 3.45Å; S206-Q210 PolarHBondContact O-N 3.37Å
207D91.7Very high95.2Very high37 Ų3738.4 Ų38.420%0.19820%0.203CC..Hα-helixtrans-72-24.9-177-71.438.1000112.1R165 R168 L173 L211 F235R165-D207 WeakPolarHBondContact CD-OD1 3.19Å; R165-D207 IonicContact CZ-OD1 3.82Å; R165-D207 IonicContact NE-OD1 2.67Å; R165-D207 PolarHBondContact NE-OD1 3.18Å; R165-D207 IonicContact NH2-OD1 3.63Å; R168-D207 IonicContact NH1-OD1 3.44Å; R168-D207 IonicContact NH1-OD2 3.58Å; R168-D207 PolarHBondContact NH1-OD2 3.07Å; L173-D207 HydrophobicContact CD2-CB 4Å; D207-L211 VanDerWaalsContact O-CG 3.31Å; D207-L211 WeakPolarHBondContact O-CG 3.32Å; D207-L211 PolarHBondContact O-N 3.24Å; D207-F235 HydrophobicContact CB-CZ 4.4Å
208I93.2Very high95Very high45 Ų4537.6 Ų37.623%0.23120%0.2CC..Hα-helixtrans-74.2-39.3169178.860000112.3S206 L211 H212 F229 V238S206-I208 VanDerWaalsContact C-N 3.3Å; S206-I208 PolarHBondContact O-N 3.03Å; S206-I208 VanDerWaalsContact OG-CG2 3.26Å; S206-I208 WeakPolarHBondContact OG-CG2 3.43Å; I208-L211 WeakPolarHBondContact O-CB 3.46Å; I208-L211 PolarHBondContact O-N 3.41Å; I208-H212 PolarHBondContact O-N 2.56Å; I208-F229 HydrophobicContact CD1-CE2 3.98Å; I208-F229 HydrophobicContact CD1-CZ 3.85Å; I208-V238 HydrophobicContact CB-CG1 4.4Å; I208-V238 HydrophobicContact CD1-CG1 3.98Å; I208-V238 HydrophobicContact CG1-CG1 3.79Å
209D93.7Very high94.8Very high48 Ų4837.6 Ų37.626%0.25720%0.199SC..Hα-helixtrans-69.7-36.4176.9177.657.7000112G204 E205 S206 L211 H212 H213G204-D209 WeakPolarHBondContact CA-OD2 3.33Å; E205-D209 PolarHBondContact N-OD2 2.92Å; S206-D209 PolarHBondContact O-N 2.74Å; S206-D209 VanDerWaalsContact OG-CB 3.23Å; S206-D209 WeakPolarHBondContact OG-CB 3.18Å; S206-D209 PolarHBondContact OG-N 2.9Å; D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 2.78Å; D209-H212 WeakPolarHBondContact O-CB 3.27Å; D209-H212 PolarHBondContact O-N 2.95Å; D209-H212 VanDerWaalsContact O-N 3.15Å; D209-H213 PolarHBondContact O-CD2 3.23Å; D209-H213 PolarHBondContact O-N 3.49Å; D209-H213 IonicContact OD2-CD2 3.16Å
210Q95.9Very high94.7Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-59.8-42.7168.3-171.368.134.400111.7R165 W166 L173 F202 G204 S206 I214R165-Q210 HydrophobicContact CG-CB 4.27Å; R165-Q210 HydrophobicContact CG-CG 4.22Å; W166-Q210 PolarHBondContact O-NE2 3.31Å; L173-Q210 HydrophobicContact CD1-CB 4.12Å; L173-Q210 HydrophobicContact CD1-CG 3.49Å; L173-Q210 VanDerWaalsContact CD1-CG 3.49Å; L173-Q210 HydrophobicContact CD2-CB 4.14Å; L173-Q210 HydrophobicContact CD2-CG 3.89Å; L173-Q210 HydrophobicContact CG-CG 4.36Å; F202-Q210 PolarHBondContact O-NE2 3.15Å; F202-Q210 PolarHBondContact O-OE1 3.18Å; G204-Q210 VanDerWaalsContact CA-OE1 3.28Å; S206-Q210 WeakPolarHBondContact O-CB 3.45Å; S206-Q210 PolarHBondContact O-N 3.37Å; Q210-I214 HydrophobicContact CG-CD1 4.19Å; Q210-I214 WeakPolarHBondContact O-CB 3.34Å; Q210-I214 WeakPolarHBondContact O-CD1 3.42Å; Q210-I214 WeakPolarHBondContact O-CG1 3.41Å; Q210-I214 PolarHBondContact O-N 3.15Å; Q210-I214 VanDerWaalsContact O-N 3.12Å
211L95.8Very high94.6Very high0 Ų034.2 Ų34.20%018%0.183CC..Hα-helixtrans-65.3-37.1173.4-74.4171.9000112L173 V174 D207 I208 D209 I214 M215 L221 F229 L240L173-L211 HydrophobicContact CB-CD1 4.24Å; L173-L211 HydrophobicContact CB-CD2 3.81Å; L173-L211 HydrophobicContact CB-CG 3.92Å; L173-L211 HydrophobicContact CD1-CD2 3.86Å; L173-L211 HydrophobicContact CD1-CG 4.12Å; V174-L211 HydrophobicContact CG1-CD1 4.16Å; V174-L211 HydrophobicContact CG1-CD2 4.43Å; D207-L211 VanDerWaalsContact O-CG 3.31Å; D207-L211 WeakPolarHBondContact O-CG 3.32Å; D207-L211 PolarHBondContact O-N 3.24Å; I208-L211 WeakPolarHBondContact O-CB 3.46Å; I208-L211 PolarHBondContact O-N 3.41Å; D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 2.78Å; L211-I214 PolarHBondContact O-N 3.48Å; L211-M215 WeakPolarHBondContact O-CB 3.28Å; L211-M215 VanDerWaalsContact O-CG 3.23Å; L211-M215 WeakPolarHBondContact O-CG 3.32Å; L211-M215 PolarHBondContact O-N 3Å; L211-L221 HydrophobicContact CD2-CD1 4.08Å; L211-L221 HydrophobicContact CD2-CD2 4.2Å; L211-F229 HydrophobicContact CD1-CD2 3.86Å; L211-F229 HydrophobicContact CD1-CE2 3.97Å; L211-L240 HydrophobicContact CD1-CD2 4.19Å
212H94.4Very high94.5Very high81 Ų8135.8 Ų35.838%0.37519%0.192SC..Hα-helixtrans-60.1-56173.7-178-79000111.4I208 D209 I214 M215 T216 P241I208-H212 PolarHBondContact O-N 2.56Å; D209-H212 WeakPolarHBondContact O-CB 3.27Å; D209-H212 PolarHBondContact O-N 2.95Å; D209-H212 VanDerWaalsContact O-N 3.15Å; H212-I214 PolarHBondContact O-N 2.93Å; H212-M215 PolarHBondContact O-N 3.44Å; H212-M215 VanDerWaalsContact O-N 3.07Å; H212-T216 PolarHBondContact CE1-OG1 2.83Å; H212-T216 PolarHBondContact O-N 3.37Å; H212-T216 PolarHBondContact O-OG1 2.98Å; H212-T216 VanDerWaalsContact O-OG1 3.07Å; H212-P241 HydrophobicContact CB-CG 3.89Å
213H95.7Very high94.5Very high57 Ų5740.5 Ų40.526%0.26422%0.222SC..Hα-helixtrans-51.9-41176-85.1-62.9000113.4F202 D209 C217F202-H213 HydrophobicContact CB-CB 4.17Å; F202-H213 HydrophobicContact CD1-CB 4.07Å; F202-H213 WeakPolarHBondContact CE1-O 3.29Å; D209-H213 PolarHBondContact O-CD2 3.23Å; D209-H213 PolarHBondContact O-N 3.49Å; D209-H213 IonicContact OD2-CD2 3.16Å; H213-C217 PolarHBondContact O-N 2.96Å
214I96.9Very high94.5Very high0 Ų043.1 Ų43.10%023%0.227CC..Hα-helixtrans-66.5-49.6176.8-72169.8000110.9P170 L173 W186 F202 Q210 L211 H212 C217 L218 I272P170-I214 HydrophobicContact CG-CG2 4.22Å; L173-I214 HydrophobicContact CD1-CD1 3.64Å; W186-I214 HydrophobicContact CH2-CG2 3.81Å; W186-I214 HydrophobicContact CZ2-CD1 3.74Å; W186-I214 HydrophobicContact CZ2-CG1 3.91Å; W186-I214 HydrophobicContact CZ2-CG2 4.06Å; F202-I214 HydrophobicContact CB-CG1 4.43Å; F202-I214 HydrophobicContact CD1-CG1 4.39Å; F202-I214 HydrophobicContact CD2-CG1 3.75Å; F202-I214 HydrophobicContact CE2-CG1 4.04Å; F202-I214 HydrophobicContact CG-CG1 3.95Å; F202-I214 HydrophobicContact CZ-CG1 4.49Å; Q210-I214 HydrophobicContact CG-CD1 4.19Å; Q210-I214 WeakPolarHBondContact O-CB 3.34Å; Q210-I214 WeakPolarHBondContact O-CD1 3.42Å; Q210-I214 WeakPolarHBondContact O-CG1 3.41Å; Q210-I214 PolarHBondContact O-N 3.15Å; Q210-I214 VanDerWaalsContact O-N 3.12Å; L211-I214 PolarHBondContact O-N 3.48Å; H212-I214 PolarHBondContact O-N 2.93Å; I214-C217 PolarHBondContact O-N 3.27Å; I214-L218 HydrophobicContact CG2-CD1 4.44Å; I214-L218 WeakPolarHBondContact O-CB 3.26Å; I214-L218 PolarHBondContact O-N 2.75Å; I214-I272 HydrophobicContact CG2-CD1 3.59Å
215M95.4Very high94.5Very high2 Ų243.2 Ų43.21%0.0123%0.227CC..Hα-helixtrans-69.5-34.4-175.2-70.7171.860.700112.8L211 H212 C217 G219 N220 L221 L240 P241 I243L211-M215 WeakPolarHBondContact O-CB 3.28Å; L211-M215 VanDerWaalsContact O-CG 3.23Å; L211-M215 WeakPolarHBondContact O-CG 3.32Å; L211-M215 PolarHBondContact O-N 3Å; H212-M215 PolarHBondContact O-N 3.44Å; H212-M215 VanDerWaalsContact O-N 3.07Å; M215-C217 VanDerWaalsContact C-N 3.29Å; M215-C217 PolarHBondContact O-N 3.11Å; M215-G219 WeakPolarHBondContact CA-O 3.48Å; M215-G219 VanDerWaalsContact O-CA 3.26Å; M215-G219 WeakPolarHBondContact O-CA 3.23Å; M215-G219 PolarHBondContact O-N 3.23Å; M215-N220 WeakPolarHBondContact CE-OD1 3.39Å; M215-L221 HydrophobicContact CG-CD2 4.09Å; M215-L221 HydrophobicContact CG-CG 4.1Å; M215-L221 HydrophobicContact SD-CD1 4.17Å; M215-L221 HydrophobicContact SD-CD2 4.33Å; M215-L221 HydrophobicContact SD-CG 3.77Å; M215-L240 HydrophobicContact CE-CB 4.36Å; M215-L240 HydrophobicContact SD-CD2 4.23Å; M215-P241 WeakPolarHBondContact CE-O 3.38Å; M215-I243 HydrophobicContact CB-CG1 3.85Å; M215-I243 HydrophobicContact CE-CG1 4.48Å
216T94.6Very high94.8Very high32 Ų3238.3 Ų38.320%0.19620%0.204CC..Hα-helixtrans-59.3-39.2171.2-57.80000111.5H212 T248 E249H212-T216 PolarHBondContact CE1-OG1 2.83Å; H212-T216 PolarHBondContact O-N 3.37Å; H212-T216 PolarHBondContact O-OG1 2.98Å; H212-T216 VanDerWaalsContact O-OG1 3.07Å; T216-T248 CarbonylContact O-C 3.49Å; T216-T248 WeakPolarHBondContact O-CA 3.39Å; T216-E249 PolarHBondContact O-N 3.19Å
217C94.9Very high95Very high8 Ų841 Ų415%0.05421%0.212CC..Hα-helixtrans-89.7-30.6-174.7-168.90000114.3F202 H213 I214 M215 E249F202-C217 HydrophobicContact CE1-CB 3.57Å; F202-C217 HydrophobicContact CZ-CB 4.07Å; H213-C217 PolarHBondContact O-N 2.96Å; I214-C217 PolarHBondContact O-N 3.27Å; M215-C217 VanDerWaalsContact C-N 3.29Å; M215-C217 PolarHBondContact O-N 3.11Å; C217-E249 WeakPolarHBondContact CA-O 3.49Å; C217-E249 PolarHBondContact SG-O 3.19Å
218L94.6Very high95.2Very high42 Ų4241.6 Ų41.622%0.2222%0.215CC..Hα-helixtrans-125.82.4-167.2-61169.7000113.7W186 F202 I214 L251 L270 I272W186-L218 HydrophobicContact CH2-CD1 3.53Å; W186-L218 HydrophobicContact CZ2-CD1 4.27Å; W186-L218 HydrophobicContact CZ3-CD1 4.2Å; F202-L218 HydrophobicContact CE2-CD1 3.98Å; F202-L218 HydrophobicContact CZ-CD1 3.64Å; F202-L218 HydrophobicContact CZ-CG 4.18Å; I214-L218 HydrophobicContact CG2-CD1 4.44Å; I214-L218 WeakPolarHBondContact O-CB 3.26Å; I214-L218 PolarHBondContact O-N 2.75Å; L218-L251 HydrophobicContact CD2-CD1 4.41Å; L218-L270 HydrophobicContact CD1-CB 3.99Å; L218-L270 HydrophobicContact CD2-CB 4.46Å; L218-I272 HydrophobicContact CB-CD1 3.86Å; L218-I272 HydrophobicContact CB-CG1 4.01Å; L218-I272 HydrophobicContact CD1-CD1 4.37Å
219G92.5Very high95.3Very high17 Ų1739.5 Ų39.518%0.17520%0.204CC..  trans81.1-172.3178.300000114.5M215M215-G219 WeakPolarHBondContact CA-O 3.48Å; M215-G219 VanDerWaalsContact O-CA 3.26Å; M215-G219 WeakPolarHBondContact O-CA 3.23Å; M215-G219 PolarHBondContact O-N 3.23Å
220N92.8Very high95.3Very high81 Ų8143.5 Ų43.543%0.43322%0.216SC..PPolyproline II helixtrans-68.3144.5-169.4-74.1-66.4000114M215 I243M215-N220 WeakPolarHBondContact CE-OD1 3.39Å; N220-I243 PolarHBondContact ND2-O 3.2Å
221L95.8Very high95.3Very high4 Ų450.3 Ų50.32%0.02125%0.246CC..PPolyproline II helixtrans-59.3148.8176-59.4-177.1000112P170 V174 L211 M215 H225 Q226 L240 I272P170-L221 HydrophobicContact CB-CD2 3.93Å; V174-L221 HydrophobicContact CG1-CD1 4.01Å; L211-L221 HydrophobicContact CD2-CD1 4.08Å; L211-L221 HydrophobicContact CD2-CD2 4.2Å; M215-L221 HydrophobicContact CG-CD2 4.09Å; M215-L221 HydrophobicContact CG-CG 4.1Å; M215-L221 HydrophobicContact SD-CD1 4.17Å; M215-L221 HydrophobicContact SD-CD2 4.33Å; M215-L221 HydrophobicContact SD-CG 3.77Å; L221-H225 HydrophobicContact CB-CB 4.1Å; L221-H225 HydrophobicContact CD1-CB 4.32Å; L221-Q226 HydrophobicContact CB-CG 3.95Å; L221-Q226 PolarHBondContact O-NE2 3.33Å; L221-L240 HydrophobicContact CD1-CD1 3.99Å; L221-L240 HydrophobicContact CD1-CD2 3.9Å; L221-I272 HydrophobicContact CD2-CG2 4.4Å
222I96.2Very high95Very high37 Ų3752.1 Ų52.119%0.1926%0.256CS..PPolyproline II helixtrans-60.4150171.356.7166.8000111.6R224 H225 Q226 I272 D273I222-R224 VanDerWaalsContact C-N 3.25Å; I222-R224 HydrophobicContact CD1-CB 4.42Å; I222-R224 PolarHBondContact O-N 3.46Å; I222-R224 VanDerWaalsContact O-N 3.08Å; I222-H225 HydrophobicContact CG1-CB 4.07Å; I222-H225 PolarHBondContact O-N 3.21Å; I222-Q226 PolarHBondContact O-N 3.02Å; I222-Q226 VanDerWaalsContact O-N 3.15Å; I222-I272 HydrophobicContact CG2-CG2 4.33Å; I222-D273 HydrophobicContact CG2-CB 3.79Å
223P96.7Very high94.8Very high99 Ų9953.6 Ų53.664%0.64327%0.272SS*.Hα-helixtrans-52.8-37.2-174.2-30.536.3000114.9H225 Q226 E227P223-H225 PolarHBondContact O-N 2.89Å; P223-Q226 PolarHBondContact O-N 3.13Å; P223-E227 WeakPolarHBondContact O-CB 3.37Å; P223-E227 PolarHBondContact O-N 2.64Å
224R96.1Very high94.5Very high99 Ų9955.8 Ų55.837%0.37429%0.29SS..Hα-helixtrans-59.8-41.4174.4172177.3163.8-175-7.9112.9D176 I222 L228D176-R224 IonicContact OD1-NH2 3.76Å; D176-R224 PolarHBondContact OD1-NH2 2.81Å; D176-R224 IonicContact OD2-CZ 3.65Å; D176-R224 IonicContact OD2-NE 3.68Å; D176-R224 PolarHBondContact OD2-NE 3.1Å; D176-R224 IonicContact OD2-NH2 2.71Å; D176-R224 PolarHBondContact OD2-NH2 3.27Å; I222-R224 VanDerWaalsContact C-N 3.25Å; I222-R224 HydrophobicContact CD1-CB 4.42Å; I222-R224 PolarHBondContact O-N 3.46Å; I222-R224 VanDerWaalsContact O-N 3.08Å; R224-L228 HydrophobicContact CG-CD1 4.08Å; R224-L228 WeakPolarHBondContact O-CB 3.42Å; R224-L228 WeakPolarHBondContact O-CD1 3.16Å; R224-L228 VanDerWaalsContact O-CG 3.26Å; R224-L228 WeakPolarHBondContact O-CG 3.15Å; R224-L228 PolarHBondContact O-N 3.29Å
225H96.6Very high94.1Very high1 Ų156.8 Ų56.81%0.00529%0.294CS..Hα-helixtrans-72.8-36.2179-67.6176000111.1E171 V174 L221 I222 P223 L228 F229E171-H225 IonicContact OE2-CE1 2.73Å; V174-H225 HydrophobicContact CG1-CB 4.23Å; V174-H225 HydrophobicContact CG2-CB 4.12Å; L221-H225 HydrophobicContact CB-CB 4.1Å; L221-H225 HydrophobicContact CD1-CB 4.32Å; I222-H225 HydrophobicContact CG1-CB 4.07Å; I222-H225 PolarHBondContact O-N 3.21Å; P223-H225 PolarHBondContact O-N 2.89Å; H225-L228 PolarHBondContact O-N 2.76Å; H225-F229 WeakPolarHBondContact O-CB 3.33Å; H225-F229 PolarHBondContact O-N 3.42Å
226Q96.1Very high93.8Very high69 Ų6960.6 Ų60.632%0.32233%0.326SS..Hα-helixtrans-61.6-47.6171-56.7-179.310.900111.4L221 I222 P223 L228 F229 Y230 L240L221-Q226 HydrophobicContact CB-CG 3.95Å; L221-Q226 PolarHBondContact O-NE2 3.33Å; I222-Q226 PolarHBondContact O-N 3.02Å; I222-Q226 VanDerWaalsContact O-N 3.15Å; P223-Q226 PolarHBondContact O-N 3.13Å; Q226-L228 VanDerWaalsContact C-N 3.33Å; Q226-L228 PolarHBondContact O-N 2.76Å; Q226-F229 PolarHBondContact O-N 3.39Å; Q226-Y230 HydrophobicContact CB-CE2 4.48Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.21Å; Q226-Y230 PolarHBondContact O-N 3.27Å; Q226-L240 HydrophobicContact CB-CD1 4.12Å; Q226-L240 HydrophobicContact CG-CD1 3.95Å
227E95.9Very high93.5Very high103 Ų10363.3 Ų63.348%0.48136%0.36SS..Hα-helixtrans-58.8-43.3177.7-172.1-166.8168.100111.9P223 K231P223-E227 WeakPolarHBondContact O-CB 3.37Å; P223-E227 PolarHBondContact O-N 2.64Å; E227-K231 HydrophobicContact CG-CD 4.08Å; E227-K231 WeakPolarHBondContact O-CB 3.18Å; E227-K231 VanDerWaalsContact O-CG 3.26Å; E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 2.67Å; E227-K231 VanDerWaalsContact O-N 3.09Å; E227-K231 WeakPolarHBondContact OE1-CE 3.23Å; E227-K231 IonicContact OE1-NZ 3.95Å; E227-K231 PolarHBondContact OE1-NZ 3.35Å
228L94.9Very high93.4Very high49 Ų4965.6 Ų65.626%0.25737%0.374SS..Hα-helixtrans-66-44.3176.6-74.2166.9000112.1V174 D176 R224 H225 Q226 Y230 K231 N232V174-L228 HydrophobicContact CB-CB 4.35Å; V174-L228 HydrophobicContact CG2-CB 4.04Å; V174-L228 HydrophobicContact CG2-CD1 4.35Å; D176-L228 HydrophobicContact CB-CD1 3.59Å; D176-L228 VanDerWaalsContact CG-CD1 3.41Å; D176-L228 WeakPolarHBondContact OD2-CD1 3.5Å; R224-L228 HydrophobicContact CG-CD1 4.08Å; R224-L228 WeakPolarHBondContact O-CB 3.42Å; R224-L228 WeakPolarHBondContact O-CD1 3.16Å; R224-L228 VanDerWaalsContact O-CG 3.26Å; R224-L228 WeakPolarHBondContact O-CG 3.15Å; R224-L228 PolarHBondContact O-N 3.29Å; H225-L228 PolarHBondContact O-N 2.76Å; Q226-L228 VanDerWaalsContact C-N 3.33Å; Q226-L228 PolarHBondContact O-N 2.76Å; L228-Y230 PolarHBondContact O-N 2.88Å; L228-K231 PolarHBondContact O-N 2.8Å; L228-N232 WeakPolarHBondContact O-CB 3.24Å; L228-N232 PolarHBondContact O-N 3.31Å
229F95.2Very high93.2Very high1 Ų172.4 Ų72.40%0.00440%0.396CS..Hα-helixtrans-55.6-52.2175.7179.4-86000111.3V174 I208 L211 H225 Q226 K231 N232 F235 V238 L240V174-F229 HydrophobicContact CB-CB 4.29Å; V174-F229 HydrophobicContact CG1-CB 4.04Å; V174-F229 HydrophobicContact CG1-CD2 4.44Å; I208-F229 HydrophobicContact CD1-CE2 3.98Å; I208-F229 HydrophobicContact CD1-CZ 3.85Å; L211-F229 HydrophobicContact CD1-CD2 3.86Å; L211-F229 HydrophobicContact CD1-CE2 3.97Å; H225-F229 WeakPolarHBondContact O-CB 3.33Å; H225-F229 PolarHBondContact O-N 3.42Å; Q226-F229 PolarHBondContact O-N 3.39Å; F229-K231 VanDerWaalsContact C-N 3.26Å; F229-K231 PolarHBondContact O-N 3.02Å; F229-N232 PolarHBondContact O-N 3.35Å; F229-F235 HydrophobicContact CD1-CB 4.41Å; F229-F235 HydrophobicContact CD2-CB 4.27Å; F229-F235 HydrophobicContact CD2-CD1 4.42Å; F229-F235 AromaticContact CD2-CD2 3.39Å; F229-F235 HydrophobicContact CD2-CD2 3.39Å; F229-F235 AromaticContact CD2-CE2 3.77Å; F229-F235 HydrophobicContact CD2-CE2 3.77Å; F229-F235 AromaticContact CD2-CG 3.78Å; F229-F235 HydrophobicContact CD2-CG 3.78Å; F229-F235 HydrophobicContact CD2-CZ 4.43Å; F229-F235 HydrophobicContact CE1-CB 3.96Å; F229-F235 HydrophobicContact CE1-CG 4.43Å; F229-F235 HydrophobicContact CE2-CB 3.82Å; F229-F235 AromaticContact CE2-CD1 3.7Å; F229-F235 HydrophobicContact CE2-CD1 3.7Å; F229-F235 AromaticContact CE2-CD2 3.51Å; F229-F235 HydrophobicContact CE2-CD2 3.51Å; F229-F235 HydrophobicContact CE2-CE1 4.12Å; F229-F235 AromaticContact CE2-CE2 3.96Å; F229-F235 HydrophobicContact CE2-CE2 3.96Å; F229-F235 AromaticContact CE2-CG 3.37Å; F229-F235 HydrophobicContact CE2-CG 3.37Å; F229-F235 HydrophobicContact CE2-CZ 4.25Å; F229-F235 HydrophobicContact CG-CD2 4.06Å; F229-F235 HydrophobicContact CG-CG 4.47Å; F229-F235 HydrophobicContact CZ-CB 3.64Å; F229-F235 HydrophobicContact CZ-CD1 4.12Å; F229-F235 HydrophobicContact CZ-CD2 4.24Å; F229-F235 AromaticContact CZ-CG 3.75Å; F229-F235 HydrophobicContact CZ-CG 3.75Å; F229-V238 HydrophobicContact CZ-CB 4.25Å; F229-V238 HydrophobicContact CZ-CG1 4.01Å; F229-L240 HydrophobicContact CB-CD1 4.39Å; F229-L240 HydrophobicContact CB-CD2 4.42Å; F229-L240 HydrophobicContact CD1-CD1 4.21Å; F229-L240 HydrophobicContact CD1-CD2 3.87Å; F229-L240 HydrophobicContact CD1-CG 3.62Å; F229-L240 HydrophobicContact CD2-CD2 3.63Å; F229-L240 HydrophobicContact CD2-CG 4.32Å; F229-L240 HydrophobicContact CE1-CD2 4Å; F229-L240 HydrophobicContact CE1-CG 3.83Å; F229-L240 HydrophobicContact CE2-CD2 3.75Å; F229-L240 HydrophobicContact CE2-CG 4.48Å; F229-L240 HydrophobicContact CG-CD1 4.29Å; F229-L240 HydrophobicContact CG-CD2 3.7Å; F229-L240 HydrophobicContact CG-CG 3.9Å; F229-L240 HydrophobicContact CZ-CD2 3.93Å; F229-L240 HydrophobicContact CZ-CG 4.25Å
230Y95.4Very high93Very high131 Ų13172.1 Ų72.151%0.51439%0.391SS..Hα-helixtrans-70.4-18.4-179.1-68.1-58.2000114.3Q226 L228 L240Q226-Y230 HydrophobicContact CB-CE2 4.48Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.21Å; Q226-Y230 PolarHBondContact O-N 3.27Å; L228-Y230 PolarHBondContact O-N 2.88Å; Y230-L240 HydrophobicContact CE2-CD1 4.15Å; Y230-L240 PolarHBondContact OH-N 3.44Å
231K94.4Very high92.4Very high144 Ų14469.5 Ų69.563%0.62638%0.378SS*.Hα-helixtrans-90-15.1173-74.7178.6178.6-178.80113.8E227 L228 F229 P233E227-K231 HydrophobicContact CG-CD 4.08Å; E227-K231 WeakPolarHBondContact O-CB 3.18Å; E227-K231 VanDerWaalsContact O-CG 3.26Å; E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 2.67Å; E227-K231 VanDerWaalsContact O-N 3.09Å; E227-K231 WeakPolarHBondContact OE1-CE 3.23Å; E227-K231 IonicContact OE1-NZ 3.95Å; E227-K231 PolarHBondContact OE1-NZ 3.35Å; L228-K231 PolarHBondContact O-N 2.8Å; F229-K231 VanDerWaalsContact C-N 3.26Å; F229-K231 PolarHBondContact O-N 3.02Å; K231-P233 WeakPolarHBondContact O-CD 3.47Å
232N90.9Very high91.5Very high38 Ų3876.3 Ų76.320%0.20341%0.41CS..  trans-80118.1-176.3-176-15.5000110.5V174 L228 F229 V234 F235V174-N232 PolarHBondContact O-ND2 3.01Å; V174-N232 VanDerWaalsContact O-ND2 3.08Å; L228-N232 WeakPolarHBondContact O-CB 3.24Å; L228-N232 PolarHBondContact O-N 3.31Å; F229-N232 PolarHBondContact O-N 3.35Å; N232-V234 PolarHBondContact O-N 2.83Å; N232-V234 WeakPolarHBondContact OD1-CB 3.39Å; N232-V234 WeakPolarHBondContact OD1-CG2 3.34Å; N232-V234 PolarHBondContact OD1-N 3.25Å; N232-F235 HydrophobicContact CB-CD2 3.97Å; N232-F235 PolarHBondContact O-N 2.7Å
233P89.9Confident90.7Very high112 Ų11275.3 Ų75.373%0.72741%0.405SS*.G310 helixtrans-60.1-20.4-178.6-2535.6000114.9K231 F235 A236K231-P233 WeakPolarHBondContact O-CD 3.47Å; P233-F235 PolarHBondContact O-N 3.37Å; P233-A236 WeakPolarHBondContact O-CB 3.27Å; P233-A236 PolarHBondContact O-N 3.49Å
234V87.9Confident89.8Confident103 Ų10376.2 Ų76.262%0.62440%0.398SS*.G310 helixtrans-64.9-29.7176.1179.10000111.7N232N232-V234 PolarHBondContact O-N 2.83Å; N232-V234 WeakPolarHBondContact OD1-CB 3.39Å; N232-V234 WeakPolarHBondContact OD1-CG2 3.34Å; N232-V234 PolarHBondContact OD1-N 3.25Å
235F89.4Confident88.7Confident21 Ų2178.2 Ų78.29%0.09242%0.417CS..G310 helixtrans-10216.9179.7-55.4-55.5000113.1L173 D207 F229 N232 P233 G237 V238L173-F235 WeakPolarHBondContact O-CE2 3.47Å; L173-F235 WeakPolarHBondContact O-CZ 3.45Å; D207-F235 HydrophobicContact CB-CZ 4.4Å; F229-F235 HydrophobicContact CD1-CB 4.41Å; F229-F235 HydrophobicContact CD2-CB 4.27Å; F229-F235 HydrophobicContact CD2-CD1 4.42Å; F229-F235 AromaticContact CD2-CD2 3.39Å; F229-F235 HydrophobicContact CD2-CD2 3.39Å; F229-F235 AromaticContact CD2-CE2 3.77Å; F229-F235 HydrophobicContact CD2-CE2 3.77Å; F229-F235 AromaticContact CD2-CG 3.78Å; F229-F235 HydrophobicContact CD2-CG 3.78Å; F229-F235 HydrophobicContact CD2-CZ 4.43Å; F229-F235 HydrophobicContact CE1-CB 3.96Å; F229-F235 HydrophobicContact CE1-CG 4.43Å; F229-F235 HydrophobicContact CE2-CB 3.82Å; F229-F235 AromaticContact CE2-CD1 3.7Å; F229-F235 HydrophobicContact CE2-CD1 3.7Å; F229-F235 AromaticContact CE2-CD2 3.51Å; F229-F235 HydrophobicContact CE2-CD2 3.51Å; F229-F235 HydrophobicContact CE2-CE1 4.12Å; F229-F235 AromaticContact CE2-CE2 3.96Å; F229-F235 HydrophobicContact CE2-CE2 3.96Å; F229-F235 AromaticContact CE2-CG 3.37Å; F229-F235 HydrophobicContact CE2-CG 3.37Å; F229-F235 HydrophobicContact CE2-CZ 4.25Å; F229-F235 HydrophobicContact CG-CD2 4.06Å; F229-F235 HydrophobicContact CG-CG 4.47Å; F229-F235 HydrophobicContact CZ-CB 3.64Å; F229-F235 HydrophobicContact CZ-CD1 4.12Å; F229-F235 HydrophobicContact CZ-CD2 4.24Å; F229-F235 AromaticContact CZ-CG 3.75Å; F229-F235 HydrophobicContact CZ-CG 3.75Å; N232-F235 HydrophobicContact CB-CD2 3.97Å; N232-F235 PolarHBondContact O-N 2.7Å; P233-F235 PolarHBondContact O-N 3.37Å; F235-G237 PolarHBondContact O-N 3.41Å; F235-G237 VanDerWaalsContact O-N 3.13Å; F235-V238 HydrophobicContact CB-CB 4.34Å; F235-V238 WeakPolarHBondContact O-CB 3.02Å; F235-V238 PolarHBondContact O-N 3.25Å
236A89.6Confident87.3Confident82 Ų8284.3 Ų84.368%0.67845%0.454SS*.THydrogen-bonded Turntrans-60.3116.4-179.700000111.9P233P233-A236 WeakPolarHBondContact O-CB 3.27Å; P233-A236 PolarHBondContact O-N 3.49Å
237G88.6Confident86.4Confident89 Ų8985.1 Ų85.192%0.91846%0.458SS*.THydrogen-bonded Turntrans90.3-8.9-17600000114.8F235F235-G237 PolarHBondContact O-N 3.41Å; F235-G237 VanDerWaalsContact O-N 3.13Å
238V91.8Very high85.9Confident56 Ų5682.4 Ų82.434%0.33945%0.449SS..  trans-86.1150.6171.2-169.40000109.2I208 F229 F235I208-V238 HydrophobicContact CB-CG1 4.4Å; I208-V238 HydrophobicContact CD1-CG1 3.98Å; I208-V238 HydrophobicContact CG1-CG1 3.79Å; F229-V238 HydrophobicContact CZ-CB 4.25Å; F229-V238 HydrophobicContact CZ-CG1 4.01Å; F235-V238 HydrophobicContact CB-CB 4.34Å; F235-V238 WeakPolarHBondContact O-CB 3.02Å; F235-V238 PolarHBondContact O-N 3.25Å
239R90Very high85.6Confident184 Ų18483.9 Ų83.969%0.69445%0.454SS*.  trans-115.1151.9169.8-68.5-172.2175.7-145.1-0110.3
240L89.4Confident85.5Confident12 Ų1285.3 Ų85.36%0.06346%0.463CS..  trans-66.6149.4163.5-69.2172.4000109.6L211 M215 L221 Q226 F229 Y230 E242L211-L240 HydrophobicContact CD1-CD2 4.19Å; M215-L240 HydrophobicContact CE-CB 4.36Å; M215-L240 HydrophobicContact SD-CD2 4.23Å; L221-L240 HydrophobicContact CD1-CD1 3.99Å; L221-L240 HydrophobicContact CD1-CD2 3.9Å; Q226-L240 HydrophobicContact CB-CD1 4.12Å; Q226-L240 HydrophobicContact CG-CD1 3.95Å; F229-L240 HydrophobicContact CB-CD1 4.39Å; F229-L240 HydrophobicContact CB-CD2 4.42Å; F229-L240 HydrophobicContact CD1-CD1 4.21Å; F229-L240 HydrophobicContact CD1-CD2 3.87Å; F229-L240 HydrophobicContact CD1-CG 3.62Å; F229-L240 HydrophobicContact CD2-CD2 3.63Å; F229-L240 HydrophobicContact CD2-CG 4.32Å; F229-L240 HydrophobicContact CE1-CD2 4Å; F229-L240 HydrophobicContact CE1-CG 3.83Å; F229-L240 HydrophobicContact CE2-CD2 3.75Å; F229-L240 HydrophobicContact CE2-CG 4.48Å; F229-L240 HydrophobicContact CG-CD1 4.29Å; F229-L240 HydrophobicContact CG-CD2 3.7Å; F229-L240 HydrophobicContact CG-CG 3.9Å; F229-L240 HydrophobicContact CZ-CD2 3.93Å; F229-L240 HydrophobicContact CZ-CG 4.25Å; Y230-L240 HydrophobicContact CE2-CD1 4.15Å; Y230-L240 PolarHBondContact OH-N 3.44Å; L240-E242 PolarHBondContact O-N 3Å
241P80.1Confident85.5Confident26 Ų2679.1 Ų79.117%0.16944%0.439CS..  trans-62.3130.4171.6-22.134.9000111.4H212 M215 I243H212-P241 HydrophobicContact CB-CG 3.89Å; M215-P241 WeakPolarHBondContact CE-O 3.38Å; P241-I243 VanDerWaalsContact C-N 3.28Å; P241-I243 HydrophobicContact CB-CD1 3.86Å; P241-I243 HydrophobicContact CB-CG1 4.1Å; P241-I243 PolarHBondContact O-N 3.4Å; P241-I243 VanDerWaalsContact O-N 3.08Å
242E77.5Confident85.5Confident146 Ų14676.1 Ų76.168%0.68243%0.427SS*.  trans-84.271.8172.2-70.2177.7-157.900109.7L240 K244L240-E242 PolarHBondContact O-N 3Å; E242-K244 PolarHBondContact O-N 3.27Å
243I78.9Confident85.6Confident17 Ų1779.7 Ų79.79%0.08745%0.445CS..  trans-66.7117.7177.7-54.5-60.9000109.4M215 N220 P241 E247 T248M215-I243 HydrophobicContact CB-CG1 3.85Å; M215-I243 HydrophobicContact CE-CG1 4.48Å; N220-I243 PolarHBondContact ND2-O 3.2Å; P241-I243 VanDerWaalsContact C-N 3.28Å; P241-I243 HydrophobicContact CB-CD1 3.86Å; P241-I243 HydrophobicContact CB-CG1 4.1Å; P241-I243 PolarHBondContact O-N 3.4Å; P241-I243 VanDerWaalsContact O-N 3.08Å; I243-E247 HydrophobicContact CG2-CB 4.35Å; I243-T248 HydrophobicContact CG2-CG2 3.69Å
244K77.4Confident85.9Confident117 Ų11777.5 Ų77.551%0.50942%0.423SS..  trans-82.1156.9168.3-59.3174.9-148.767.40110.1E242 T246 E247 T248E242-K244 PolarHBondContact O-N 3.27Å; K244-T246 PolarHBondContact O-N 3.19Å; K244-T246 VanDerWaalsContact O-N 3.15Å; K244-E247 HydrophobicContact CB-CG 4.32Å; K244-E247 WeakPolarHBondContact CB-OE2 3.3Å; K244-E247 WeakPolarHBondContact CG-OE2 3.5Å; K244-E247 PolarHBondContact N-OE2 2.81Å; K244-E247 IonicContact NZ-OE1 2.63Å; K244-E247 PolarHBondContact NZ-OE1 3.29Å; K244-E247 IonicContact NZ-OE2 2.99Å; K244-E247 PolarHBondContact NZ-OE2 3.41Å; K244-E247 WeakPolarHBondContact O-CA 3.35Å; K244-E247 WeakPolarHBondContact O-CB 3.46Å; K244-E247 PolarHBondContact O-N 3.35Å; K244-T248 PolarHBondContact O-N 3.28Å
245D71.9Confident86.2Confident141 Ų14173.4 Ų73.475%0.75440%0.396SS*.G310 helixtrans-56.6-35.7178.6-54.9-44.5000112.2E247 T248D245-E247 PolarHBondContact O-N 3.45Å; D245-T248 PolarHBondContact O-N 2.82Å; D245-T248 PolarHBondContact O-OG1 3.48Å
246T69.1Low86.5Confident129 Ų12977.3 Ų77.379%0.79142%0.423SS*.G310 helixtrans-67.6-12.4174.954.50000114.9K244K244-T246 PolarHBondContact O-N 3.19Å; K244-T246 VanDerWaalsContact O-N 3.15Å
247E75.9Confident86.7Confident87 Ų8783 Ų8341%0.40743%0.433SS..G310 helixtrans-107.55.1-179.8-65.1158.1179.100111I243 K244 D245I243-E247 HydrophobicContact CG2-CB 4.35Å; K244-E247 HydrophobicContact CB-CG 4.32Å; K244-E247 WeakPolarHBondContact CB-OE2 3.3Å; K244-E247 WeakPolarHBondContact CG-OE2 3.5Å; K244-E247 PolarHBondContact N-OE2 2.81Å; K244-E247 IonicContact NZ-OE1 2.63Å; K244-E247 PolarHBondContact NZ-OE1 3.29Å; K244-E247 IonicContact NZ-OE2 2.99Å; K244-E247 PolarHBondContact NZ-OE2 3.41Å; K244-E247 WeakPolarHBondContact O-CA 3.35Å; K244-E247 WeakPolarHBondContact O-CB 3.46Å; K244-E247 PolarHBondContact O-N 3.35Å; D245-E247 PolarHBondContact O-N 3.45Å
248T84.6Confident87.1Confident46 Ų4680 Ų8028%0.28240%0.395SS..  trans-84.1142.6175.564.10000112.4T216 I243 K244 D245 P250T216-T248 CarbonylContact O-C 3.49Å; T216-T248 WeakPolarHBondContact O-CA 3.39Å; I243-T248 HydrophobicContact CG2-CG2 3.69Å; K244-T248 PolarHBondContact O-N 3.28Å; D245-T248 PolarHBondContact O-N 2.82Å; D245-T248 PolarHBondContact O-OG1 3.48Å; T248-P250 WeakPolarHBondContact O-CD 3.37Å
249E89.7Confident87.3Confident79 Ų7980.2 Ų80.237%0.36940%0.398SS..  trans-121.581.5172-164.9-165.5-165.100110.4T216 C217 R254T216-E249 PolarHBondContact O-N 3.19Å; C217-E249 WeakPolarHBondContact CA-O 3.49Å; C217-E249 PolarHBondContact SG-O 3.19Å; E249-R254 HydrophobicContact CG-CB 3.97Å; E249-R254 HydrophobicContact CG-CG 4.45Å; E249-R254 WeakPolarHBondContact OE1-CG 3.33Å; E249-R254 VanDerWaalsContact OE2-CD 3.3Å; E249-R254 WeakPolarHBondContact OE2-CD 3.14Å; E249-R254 IonicContact OE2-NE 3.54Å
250P93.1Very high87.7Confident31 Ų3179.2 Ų79.220%0.20140%0.401CS..  trans-55.1151.1176.5-26.435000113.3T248 E252 I253 R254T248-P250 WeakPolarHBondContact O-CD 3.37Å; P250-E252 HydrophobicContact CB-CG 4.21Å; P250-E252 WeakPolarHBondContact CB-OE2 3.24Å; P250-E252 PolarHBondContact O-N 3.01Å; P250-E252 VanDerWaalsContact O-N 3.11Å; P250-I253 HydrophobicContact CB-CG1 4.46Å; P250-I253 HydrophobicContact CG-CD1 4.4Å; P250-I253 WeakPolarHBondContact O-CA 3.1Å; P250-I253 PolarHBondContact O-N 3.13Å; P250-R254 PolarHBondContact O-N 2.94Å
251L94.9Very high88.1Confident1 Ų180 Ų801%0.00541%0.407CS..Hα-helixtrans-52.5-36.2-177.8-67.3171.4000113.6I193 L201 L218 Y255 I263 A266 K267 L270I193-L251 HydrophobicContact CG1-CD2 4.46Å; L201-L251 HydrophobicContact CD1-CD2 3.6Å; L201-L251 HydrophobicContact CD2-CD2 4.31Å; L218-L251 HydrophobicContact CD2-CD1 4.41Å; L251-Y255 HydrophobicContact CD2-CD2 4.27Å; L251-Y255 HydrophobicContact CD2-CE2 4.16Å; L251-Y255 WeakPolarHBondContact O-CA 3.23Å; L251-Y255 WeakPolarHBondContact O-CB 3.36Å; L251-Y255 WeakPolarHBondContact O-CD2 3.48Å; L251-Y255 PolarHBondContact O-N 3.43Å; L251-I263 HydrophobicContact CB-CD1 4.11Å; L251-I263 HydrophobicContact CB-CG2 4.36Å; L251-A266 HydrophobicContact CD1-CB 4.15Å; L251-K267 HydrophobicContact CD1-CG 4.02Å; L251-L270 HydrophobicContact CD1-CD1 4.01Å
252E94.4Very high89Confident81 Ų8178.8 Ų78.838%0.37940%0.399SS..Hα-helixtrans-69.2-27.2176.259.2-92.2-133.900114.1P250 P256 I263 K267P250-E252 HydrophobicContact CB-CG 4.21Å; P250-E252 WeakPolarHBondContact CB-OE2 3.24Å; P250-E252 PolarHBondContact O-N 3.01Å; P250-E252 VanDerWaalsContact O-N 3.11Å; E252-P256 WeakPolarHBondContact O-CA 3.43Å; E252-I263 HydrophobicContact CB-CG2 4.4Å; E252-K267 IonicContact OE1-NZ 2.61Å; E252-K267 PolarHBondContact OE1-NZ 3Å; E252-K267 WeakPolarHBondContact OE2-CE 3.33Å; E252-K267 IonicContact OE2-NZ 2.83Å; E252-K267 PolarHBondContact OE2-NZ 3.2Å
253I93.9Very high90Very high113 Ų11372.4 Ų72.458%0.57937%0.369SS*.Hα-helixtrans-83.3-40.8175.5-57.4-166.5000109.9P250 P256P250-I253 HydrophobicContact CB-CG1 4.46Å; P250-I253 HydrophobicContact CG-CD1 4.4Å; P250-I253 WeakPolarHBondContact O-CA 3.1Å; P250-I253 PolarHBondContact O-N 3.13Å; I253-P256 WeakPolarHBondContact O-CD 3.21Å
254R94.7Very high90.9Very high67 Ų6774.7 Ų74.725%0.25338%0.382SS..Hα-helixtrans-70.1-32.9178.1-165.5169.6177.8-150.9-9.4113L201 E249 P250L201-R254 PolarHBondContact O-NH1 3.35Å; L201-R254 PolarHBondContact O-NH2 3.32Å; E249-R254 HydrophobicContact CG-CB 3.97Å; E249-R254 HydrophobicContact CG-CG 4.45Å; E249-R254 WeakPolarHBondContact OE1-CG 3.33Å; E249-R254 VanDerWaalsContact OE2-CD 3.3Å; E249-R254 WeakPolarHBondContact OE2-CD 3.14Å; E249-R254 IonicContact OE2-NE 3.54Å; P250-R254 PolarHBondContact O-N 2.94Å
255Y95.4Very high91.9Very high16 Ų1669.2 Ų69.26%0.06336%0.358CS..  trans-130.359.2-176.1-54-72.4000113I193 M197 L201 L251 K257 L258I193-Y255 HydrophobicContact CG2-CD2 4.05Å; I193-Y255 HydrophobicContact CG2-CE1 4.14Å; I193-Y255 HydrophobicContact CG2-CE2 3.6Å; I193-Y255 HydrophobicContact CG2-CG 4.49Å; M197-Y255 HydrophobicContact CB-CE1 4.31Å; M197-Y255 HydrophobicContact CE-CD1 3.84Å; M197-Y255 HydrophobicContact CE-CE1 4.23Å; M197-Y255 HydrophobicContact CG-CD1 3.7Å; M197-Y255 HydrophobicContact CG-CE1 3.76Å; M197-Y255 HydrophobicContact CG-CG 4.48Å; M197-Y255 HydrophobicContact SD-CD1 3.8Å; M197-Y255 HydrophobicContact SD-CE1 4.39Å; L201-Y255 HydrophobicContact CD1-CE2 3.76Å; L251-Y255 HydrophobicContact CD2-CD2 4.27Å; L251-Y255 HydrophobicContact CD2-CE2 4.16Å; L251-Y255 WeakPolarHBondContact O-CA 3.23Å; L251-Y255 WeakPolarHBondContact O-CB 3.36Å; L251-Y255 WeakPolarHBondContact O-CD2 3.48Å; L251-Y255 PolarHBondContact O-N 3.43Å; Y255-K257 PolarHBondContact O-N 2.86Å; Y255-L258 HydrophobicContact CG-CD1 4.14Å; Y255-L258 PolarHBondContact O-N 3.31Å
256P95Very high93.2Very high103 Ų10362.5 Ų62.567%0.66932%0.322SS*.THydrogen-bonded Turntrans-711.3-170.632-37.6000114.4E252 I253E252-P256 WeakPolarHBondContact O-CA 3.43Å; I253-P256 WeakPolarHBondContact O-CD 3.21Å
257K94.3Very high94.6Very high202 Ų20260.3 Ų60.388%0.87830%0.301SS*.THydrogen-bonded Turntrans-98.8-11.3174.6-63.8-178.8-178.8176.20113.2Y255Y255-K257 PolarHBondContact O-N 2.86Å
258L96.3Very high95.6Very high25 Ų2560.2 Ų60.213%0.13130%0.3CS..SBendtrans-77.4137.2178-69.6-179.3000110.3I193 L196 M197 Y255 V262 I263I193-L258 HydrophobicContact CD1-CD1 3.76Å; L196-L258 HydrophobicContact CB-CD2 3.9Å; L196-L258 HydrophobicContact CD1-CD2 4.17Å; M197-L258 HydrophobicContact CG-CD1 4.33Å; M197-L258 HydrophobicContact SD-CD1 4.13Å; M197-L258 HydrophobicContact SD-CD2 3.83Å; M197-L258 HydrophobicContact SD-CG 3.99Å; Y255-L258 HydrophobicContact CG-CD1 4.14Å; Y255-L258 PolarHBondContact O-N 3.31Å; L258-V262 HydrophobicContact CB-CG1 4.48Å; L258-V262 HydrophobicContact CD1-CG1 4.23Å; L258-I263 HydrophobicContact CB-CD1 3.94Å; L258-I263 HydrophobicContact CB-CG1 4.18Å; L258-I263 HydrophobicContact CD1-CD1 4.02Å
259P97.1Very high96.3Very high61 Ų6158 Ų5840%0.39629%0.286SS..  trans-56.9144.5174.6-25.834.6000112.3Y100 V261 V262 I263Y100-P259 HydrophobicContact CE2-CG 4.29Å; P259-V261 HydrophobicContact CB-CG1 4.01Å; P259-V261 PolarHBondContact O-N 3.49Å; P259-V261 VanDerWaalsContact O-N 3.12Å; P259-V262 HydrophobicContact CB-CG2 4.24Å; P259-V262 HydrophobicContact CG-CG2 4.29Å; P259-V262 WeakPolarHBondContact O-CA 3.32Å; P259-V262 VanDerWaalsContact O-CB 3.31Å; P259-V262 WeakPolarHBondContact O-CB 3.44Å; P259-V262 PolarHBondContact O-N 2.82Å; P259-I263 PolarHBondContact O-N 3.36Å
260E97.6Very high96.7Very high163 Ų16354.4 Ų54.476%0.76227%0.269SS*.Hα-helixtrans-54.2-37.4-179.9-172.9-179174.700112.3V262 I263 N264E260-V262 VanDerWaalsContact C-N 3.25Å; E260-V262 PolarHBondContact O-N 2.88Å; E260-I263 PolarHBondContact O-N 2.96Å; E260-N264 VanDerWaalsContact O-CB 3.29Å; E260-N264 WeakPolarHBondContact O-CB 3.39Å; E260-N264 PolarHBondContact O-N 3.15Å
261V98.2Very high97Very high29 Ų2956.4 Ų56.418%0.17628%0.276CS..Hα-helixtrans-61.6-28.8176.467.70000113.6P259 L265 H286 D287 F288 M291P259-V261 HydrophobicContact CB-CG1 4.01Å; P259-V261 PolarHBondContact O-N 3.49Å; P259-V261 VanDerWaalsContact O-N 3.12Å; V261-L265 PolarHBondContact O-N 2.79Å; V261-H286 PolarHBondContact O-CE1 3.36Å; V261-D287 HydrophobicContact CG2-CB 3.79Å; V261-F288 HydrophobicContact CG2-CB 4.02Å; V261-M291 HydrophobicContact CG1-SD 4.47Å; V261-M291 HydrophobicContact CG2-SD 4.34Å
262V98.3Very high97.1Very high0 Ų057 Ų570%028%0.279CS..Hα-helixtrans-74.6-48.5172.7175.90000110.3Y100 V192 L196 L258 P259 E260 N264 L265 A266 F288Y100-V262 HydrophobicContact CE2-CG2 3.71Å; V192-V262 HydrophobicContact CG1-CG1 3.74Å; L196-V262 HydrophobicContact CD1-CB 4.36Å; L196-V262 HydrophobicContact CD1-CG1 3.4Å; L196-V262 VanDerWaalsContact CD1-CG1 3.4Å; L196-V262 HydrophobicContact CD1-CG2 3.98Å; L258-V262 HydrophobicContact CB-CG1 4.48Å; L258-V262 HydrophobicContact CD1-CG1 4.23Å; P259-V262 HydrophobicContact CB-CG2 4.24Å; P259-V262 HydrophobicContact CG-CG2 4.29Å; P259-V262 WeakPolarHBondContact O-CA 3.32Å; P259-V262 VanDerWaalsContact O-CB 3.31Å; P259-V262 WeakPolarHBondContact O-CB 3.44Å; P259-V262 PolarHBondContact O-N 2.82Å; E260-V262 VanDerWaalsContact C-N 3.25Å; E260-V262 PolarHBondContact O-N 2.88Å; V262-N264 PolarHBondContact O-N 3.23Å; V262-L265 PolarHBondContact O-N 3.07Å; V262-A266 WeakPolarHBondContact O-CB 3.16Å; V262-A266 PolarHBondContact O-N 3.29Å; V262-F288 HydrophobicContact CG2-CD2 4.04Å; V262-F288 HydrophobicContact CG2-CE2 3.87Å
263I98.3Very high97.3Very high13 Ų1354.3 Ų54.37%0.06727%0.267CS..Hα-helixtrans-60.3-38.7178-60.9-63.3000110.4L251 E252 L258 P259 E260 A266 K267L251-I263 HydrophobicContact CB-CD1 4.11Å; L251-I263 HydrophobicContact CB-CG2 4.36Å; E252-I263 HydrophobicContact CB-CG2 4.4Å; L258-I263 HydrophobicContact CB-CD1 3.94Å; L258-I263 HydrophobicContact CB-CG1 4.18Å; L258-I263 HydrophobicContact CD1-CD1 4.02Å; P259-I263 PolarHBondContact O-N 3.36Å; E260-I263 PolarHBondContact O-N 2.96Å; I263-A266 PolarHBondContact O-N 3.4Å; I263-K267 HydrophobicContact CG2-CD 4.12Å; I263-K267 HydrophobicContact CG2-CG 4.32Å; I263-K267 WeakPolarHBondContact O-CB 3.18Å; I263-K267 WeakPolarHBondContact O-CG 3.4Å; I263-K267 PolarHBondContact O-N 3.39Å
264N98.4Very high97.5Very high64 Ų6449.8 Ų49.834%0.34225%0.245SC..Hα-helixtrans-64.8-44.3177.1-160.5-79.8000112.1E260 V262 K268 H286E260-N264 VanDerWaalsContact O-CB 3.29Å; E260-N264 WeakPolarHBondContact O-CB 3.39Å; E260-N264 PolarHBondContact O-N 3.15Å; V262-N264 PolarHBondContact O-N 3.23Å; N264-K268 WeakPolarHBondContact O-CG 3.33Å; N264-K268 PolarHBondContact O-N 3.07Å; N264-K268 WeakPolarHBondContact OD1-CE 3.37Å; N264-K268 PolarHBondContact OD1-NZ 2.61Å; N264-H286 PolarHBondContact OD1-NE2 3.43Å
265L98.7Very high97.6Very high2 Ų253.2 Ų53.21%0.0127%0.269CS..Hα-helixtrans-60.9-49173.6179.362.8000111.3L107 V192 V261 V262 K268 C269 L283 H286 F288 F289L107-L265 HydrophobicContact CD1-CD2 4.38Å; V192-L265 HydrophobicContact CG1-CD2 4.39Å; V192-L265 HydrophobicContact CG2-CD2 4.1Å; V192-L265 HydrophobicContact CG2-CG 4.27Å; V261-L265 PolarHBondContact O-N 2.79Å; V262-L265 PolarHBondContact O-N 3.07Å; L265-K268 PolarHBondContact O-N 3.27Å; L265-C269 PolarHBondContact O-N 3.08Å; L265-C269 VanDerWaalsContact O-N 3.13Å; L265-C269 PolarHBondContact O-SG 3.07Å; L265-L283 HydrophobicContact CD1-CD2 3.81Å; L265-H286 HydrophobicContact CD1-CB 4.18Å; L265-F288 HydrophobicContact CD2-CB 4.04Å; L265-F288 HydrophobicContact CD2-CD1 3.51Å; L265-F288 HydrophobicContact CD2-CD2 4.44Å; L265-F288 HydrophobicContact CD2-CE1 4.03Å; L265-F288 HydrophobicContact CD2-CG 3.74Å; L265-F289 HydrophobicContact CD2-CE2 4.4Å; L265-F289 HydrophobicContact CD2-CZ 4.48Å
266A98.6Very high97.7Very high0 Ų058.9 Ų58.90%029%0.293CS..Hα-helixtrans-60.3-47.117900000111.5V192 I193 L251 V262 I263 K268 C269 L270V192-A266 HydrophobicContact CB-CB 4.46Å; V192-A266 HydrophobicContact CG1-CB 4.3Å; I193-A266 HydrophobicContact CD1-CB 3.81Å; I193-A266 HydrophobicContact CG1-CB 4.17Å; L251-A266 HydrophobicContact CD1-CB 4.15Å; V262-A266 WeakPolarHBondContact O-CB 3.16Å; V262-A266 PolarHBondContact O-N 3.29Å; I263-A266 PolarHBondContact O-N 3.4Å; A266-K268 PolarHBondContact O-N 3.05Å; A266-C269 PolarHBondContact O-N 2.88Å; A266-L270 HydrophobicContact CB-CD1 4.39Å; A266-L270 VanDerWaalsContact O-CB 3.25Å; A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 VanDerWaalsContact O-CG 3.26Å; A266-L270 WeakPolarHBondContact O-CG 3Å; A266-L270 PolarHBondContact O-N 3.41Å
267K98.2Very high97.9Very high83 Ų8354.7 Ų54.736%0.36126%0.264SS..Hα-helixtrans-61.6-38.9177.2-77.7-174.5175.7-171.80113.5L251 E252 I263 C269 L270 H271L251-K267 HydrophobicContact CD1-CG 4.02Å; E252-K267 IonicContact OE1-NZ 2.61Å; E252-K267 PolarHBondContact OE1-NZ 3Å; E252-K267 WeakPolarHBondContact OE2-CE 3.33Å; E252-K267 IonicContact OE2-NZ 2.83Å; E252-K267 PolarHBondContact OE2-NZ 3.2Å; I263-K267 HydrophobicContact CG2-CD 4.12Å; I263-K267 HydrophobicContact CG2-CG 4.32Å; I263-K267 WeakPolarHBondContact O-CB 3.18Å; I263-K267 WeakPolarHBondContact O-CG 3.4Å; I263-K267 PolarHBondContact O-N 3.39Å; K267-C269 VanDerWaalsContact C-N 3.34Å; K267-L270 PolarHBondContact O-N 3.12Å; K267-H271 PolarHBondContact O-N 3.19Å
268K98.6Very high98.1Very high86 Ų8646.4 Ų46.437%0.37423%0.231SC..Hα-helixtrans-61.5-42.7174.2-78167.6176.8161.50111.4N264 L265 A266 P278 H286N264-K268 WeakPolarHBondContact O-CG 3.33Å; N264-K268 PolarHBondContact O-N 3.07Å; N264-K268 WeakPolarHBondContact OD1-CE 3.37Å; N264-K268 PolarHBondContact OD1-NZ 2.61Å; L265-K268 PolarHBondContact O-N 3.27Å; A266-K268 PolarHBondContact O-N 3.05Å; K268-P278 HydrophobicContact CB-CG 4.3Å; K268-P278 WeakPolarHBondContact O-CD 3.21Å; K268-H286 PolarHBondContact NZ-CD2 2.9Å; K268-H286 PolarHBondContact NZ-NE2 2.94Å
269C98.8Very high98.2Very high0 Ų051.8 Ų51.80%025%0.254CS..Hα-helixtrans-71.1-37.7176.4-690000113.5V185 L265 A266 K267 H271 R277V185-C269 HydrophobicContact CG1-CB 4.27Å; V185-C269 WeakPolarHBondContact O-CB 3.4Å; L265-C269 PolarHBondContact O-N 3.08Å; L265-C269 VanDerWaalsContact O-N 3.13Å; L265-C269 PolarHBondContact O-SG 3.07Å; A266-C269 PolarHBondContact O-N 2.88Å; K267-C269 VanDerWaalsContact C-N 3.34Å; C269-H271 VanDerWaalsContact C-N 3.34Å; C269-H271 PolarHBondContact O-N 2.97Å; C269-R277 VanDerWaalsContact O-CD 3.29Å; C269-R277 WeakPolarHBondContact O-CD 3.29Å
270L98.7Very high98.3Very high2 Ų249 Ų491%0.0124%0.236CC..THydrogen-bonded Turntrans-93.923.1-173.3-64.9170.7000113.6W186 L201 F202 L218 L251 A266 K267 I272W186-L270 HydrophobicContact CD2-CD2 3.82Å; W186-L270 HydrophobicContact CE3-CB 4.5Å; W186-L270 HydrophobicContact CE3-CD2 4.08Å; W186-L270 HydrophobicContact CG-CD2 4.28Å; W186-L270 HydrophobicContact CH2-CD2 4.34Å; W186-L270 HydrophobicContact CZ2-CD2 4.07Å; W186-L270 HydrophobicContact CZ3-CB 4.31Å; W186-L270 HydrophobicContact CZ3-CD2 4.35Å; W186-L270 VanDerWaalsContact CZ3-O 3.23Å; W186-L270 WeakPolarHBondContact CZ3-O 3.49Å; L201-L270 HydrophobicContact CD2-CD1 3.45Å; L201-L270 VanDerWaalsContact CD2-CD1 3.45Å; L201-L270 HydrophobicContact CD2-CD2 4.47Å; F202-L270 HydrophobicContact CE2-CD2 4.34Å; L218-L270 HydrophobicContact CD1-CB 3.99Å; L218-L270 HydrophobicContact CD2-CB 4.46Å; L251-L270 HydrophobicContact CD1-CD1 4.01Å; A266-L270 HydrophobicContact CB-CD1 4.39Å; A266-L270 VanDerWaalsContact O-CB 3.25Å; A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 VanDerWaalsContact O-CG 3.26Å; A266-L270 WeakPolarHBondContact O-CG 3Å; A266-L270 PolarHBondContact O-N 3.41Å; K267-L270 PolarHBondContact O-N 3.12Å; L270-I272 PolarHBondContact O-N 3.37Å
271H98.4Very high98.2Very high73 Ų7344 Ų4434%0.33822%0.223SC..  trans-65.7124.3175.7-165.7-69.2000110.3K267 C269 D273 K276 R277K267-H271 PolarHBondContact O-N 3.19Å; C269-H271 VanDerWaalsContact C-N 3.34Å; C269-H271 PolarHBondContact O-N 2.97Å; H271-D273 VanDerWaalsContact C-N 3.35Å; H271-D273 VanDerWaalsContact CE1-CB 3.45Å; H271-D273 WeakPolarHBondContact CE1-CB 3.32Å; H271-D273 WeakPolarHBondContact ND1-CB 3.21Å; H271-D273 PolarHBondContact ND1-N 3.09Å; H271-D273 VanDerWaalsContact ND1-N 3.19Å; H271-D273 PolarHBondContact ND1-O 3.09Å; H271-D273 VanDerWaalsContact ND1-O 3.09Å; H271-D273 PolarHBondContact O-N 3.42Å; H271-K276 VanDerWaalsContact CE1-CD 3.42Å; H271-K276 WeakPolarHBondContact CE1-CD 3.46Å; H271-R277 HydrophobicContact CB-CG 4.05Å; H271-R277 PolarHBondContact O-NE 2.92Å; H271-R277 PolarHBondContact O-NH2 3.47Å
272I97.5Very high98.2Very high14 Ų1446.6 Ų46.67%0.07224%0.235CC..SBendtrans-54.4-49.5-175.9-69.2-67.8000111.7P170 W186 I214 L218 L221 I222 L270 P274 R277P170-I272 HydrophobicContact CG-CD1 4.13Å; W186-I272 HydrophobicContact CH2-CD1 4.03Å; W186-I272 HydrophobicContact CZ3-CD1 4.29Å; I214-I272 HydrophobicContact CG2-CD1 3.59Å; L218-I272 HydrophobicContact CB-CD1 3.86Å; L218-I272 HydrophobicContact CB-CG1 4.01Å; L218-I272 HydrophobicContact CD1-CD1 4.37Å; L221-I272 HydrophobicContact CD2-CG2 4.4Å; I222-I272 HydrophobicContact CG2-CG2 4.33Å; L270-I272 PolarHBondContact O-N 3.37Å; I272-P274 WeakPolarHBondContact O-CD 3.25Å; I272-R277 PolarHBondContact O-NH2 3.11Å; I272-R277 VanDerWaalsContact O-NH2 3.11Å
273D97.9Very high98.2Very high24 Ų2446.7 Ų46.713%0.12824%0.236CC..SBendtrans-67.6115.8171.1-172.2-8.5000110.2I222 H271 D275 K276I222-D273 HydrophobicContact CG2-CB 3.79Å; H271-D273 VanDerWaalsContact C-N 3.35Å; H271-D273 VanDerWaalsContact CE1-CB 3.45Å; H271-D273 WeakPolarHBondContact CE1-CB 3.32Å; H271-D273 WeakPolarHBondContact ND1-CB 3.21Å; H271-D273 PolarHBondContact ND1-N 3.09Å; H271-D273 VanDerWaalsContact ND1-N 3.19Å; H271-D273 PolarHBondContact ND1-O 3.09Å; H271-D273 VanDerWaalsContact ND1-O 3.09Å; H271-D273 PolarHBondContact O-N 3.42Å; D273-D275 VanDerWaalsContact C-N 3.3Å; D273-D275 PolarHBondContact O-N 3.33Å; D273-D275 PolarHBondContact OD1-N 2.96Å; D273-K276 HydrophobicContact CB-CD 4.1Å; D273-K276 HydrophobicContact CB-CG 4.46Å; D273-K276 PolarHBondContact O-N 3.34Å; D273-K276 WeakPolarHBondContact OD2-CD 3.34Å; D273-K276 VanDerWaalsContact OD2-CE 3.3Å; D273-K276 WeakPolarHBondContact OD2-CE 3.26Å; D273-K276 IonicContact OD2-NZ 3.94Å; D273-K276 PolarHBondContact OD2-NZ 3.26Å
274P97.9Very high98.2Very high18 Ų1847.3 Ų47.312%0.11724%0.239CC..G310 helixtrans-68.8-26.8-175.628-34.5000113.2A182 I272 K276 R277A182-P274 HydrophobicContact CB-CB 3.81Å; I272-P274 WeakPolarHBondContact O-CD 3.25Å; P274-K276 PolarHBondContact O-N 3.32Å; P274-R277 PolarHBondContact O-N 3.25Å
275D97.4Very high98.1Very high140 Ų14050.7 Ų50.775%0.74925%0.253SS*.G310 helixtrans-74.3-5.7-178.3-65.6-25.8000112.4D273D273-D275 VanDerWaalsContact C-N 3.3Å; D273-D275 PolarHBondContact O-N 3.33Å; D273-D275 PolarHBondContact OD1-N 2.96Å
276K98.3Very high98.1Very high134 Ų13451.1 Ų51.158%0.58325%0.254SS*.G310 helixtrans-106.3-0.5175.1-69.1174-177.71340114H271 D273 P274H271-K276 VanDerWaalsContact CE1-CD 3.42Å; H271-K276 WeakPolarHBondContact CE1-CD 3.46Å; D273-K276 HydrophobicContact CB-CD 4.1Å; D273-K276 HydrophobicContact CB-CG 4.46Å; D273-K276 PolarHBondContact O-N 3.34Å; D273-K276 WeakPolarHBondContact OD2-CD 3.34Å; D273-K276 VanDerWaalsContact OD2-CE 3.3Å; D273-K276 WeakPolarHBondContact OD2-CE 3.26Å; D273-K276 IonicContact OD2-NZ 3.94Å; D273-K276 PolarHBondContact OD2-NZ 3.26Å; P274-K276 PolarHBondContact O-N 3.32Å
277R98.6Very high98.1Very high16 Ų1655.6 Ų55.66%0.0628%0.278CS..SBendtrans-78.8136.8173.9-61179.7-156.9141.214.7109.3E171 A182 V185 C269 H271 I272 P274E171-R277 IonicContact OE1-CZ 2.74Å; E171-R277 IonicContact OE1-NH1 2.8Å; E171-R277 PolarHBondContact OE1-NH1 3.08Å; E171-R277 IonicContact OE1-NH2 3.93Å; E171-R277 IonicContact OE2-CZ 2.7Å; E171-R277 IonicContact OE2-NH1 3.41Å; E171-R277 PolarHBondContact OE2-NH1 3.45Å; E171-R277 IonicContact OE2-NH2 3.29Å; E171-R277 PolarHBondContact OE2-NH2 3.15Å; A182-R277 PolarHBondContact O-NH1 2.92Å; V185-R277 HydrophobicContact CB-CB 4.5Å; V185-R277 HydrophobicContact CG1-CB 3.98Å; C269-R277 VanDerWaalsContact O-CD 3.29Å; C269-R277 WeakPolarHBondContact O-CD 3.29Å; H271-R277 HydrophobicContact CB-CG 4.05Å; H271-R277 PolarHBondContact O-NE 2.92Å; H271-R277 PolarHBondContact O-NH2 3.47Å; I272-R277 PolarHBondContact O-NH2 3.11Å; I272-R277 VanDerWaalsContact O-NH2 3.11Å; P274-R277 PolarHBondContact O-N 3.25Å
278P98.5Very high98.1Very high28 Ų2851.6 Ų51.618%0.18226%0.261CS..PPolyproline II helixtrans-68160.8-179.830-36.6000112.1K268 D282 L283K268-P278 HydrophobicContact CB-CG 4.3Å; K268-P278 WeakPolarHBondContact O-CD 3.21Å; P278-D282 HydrophobicContact CB-CB 4.1Å; P278-L283 HydrophobicContact CB-CD2 4.3Å; P278-L283 HydrophobicContact CB-CG 4.44Å; P278-L283 HydrophobicContact CG-CD2 3.43Å; P278-L283 VanDerWaalsContact CG-CD2 3.43Å; P278-L283 HydrophobicContact CG-CG 3.9Å
279F98.3Very high98.1Very high138 Ų13847.5 Ų47.561%0.60524%0.243SC*.PPolyproline II helixtrans-76.1157.2167.8-57.5-70.7000110.5A281 D282 L283F279-A281 PolarHBondContact O-N 3.13Å; F279-A281 VanDerWaalsContact O-N 3.15Å; F279-D282 WeakPolarHBondContact CA-OD2 3.49Å; F279-D282 WeakPolarHBondContact CB-OD2 3.26Å; F279-D282 WeakPolarHBondContact CD2-OD2 3.43Å; F279-D282 PolarHBondContact N-OD2 2.59Å; F279-D282 PolarHBondContact O-N 3.35Å; F279-L283 PolarHBondContact O-N 3.11Å; F279-L283 VanDerWaalsContact O-N 3.16Å
280C98.2Very high98Very high3 Ų351.4 Ų51.42%0.0226%0.261CS..Hα-helixtrans-59.4-27.7178.8-64.10000113.5I111 I114 L284I111-C280 HydrophobicContact CG2-CB 3.89Å; I111-C280 WeakPolarHBondContact CG2-O 3.39Å; I114-C280 VanDerWaalsContact CG2-SG 3.52Å; C280-L284 PolarHBondContact O-N 2.66Å
281A96.1Very high97.8Very high58 Ų5855.9 Ų55.948%0.47928%0.283SS..Hα-helixtrans-64.3-42.2172.500000112F279 L283 L284 H285F279-A281 PolarHBondContact O-N 3.13Å; F279-A281 VanDerWaalsContact O-N 3.15Å; A281-L283 VanDerWaalsContact C-N 3.34Å; A281-L284 PolarHBondContact O-N 2.73Å; A281-H285 PolarHBondContact O-CE1 3.17Å; A281-H285 PolarHBondContact O-ND1 3.06Å
282D98Very high97.6Very high82 Ų8259.1 Ų59.144%0.43930%0.303SS..Hα-helixtrans-69.2-35.5-179.5-41.5-43.4000110.9P278 F279 L284 H285P278-D282 HydrophobicContact CB-CB 4.1Å; F279-D282 WeakPolarHBondContact CA-OD2 3.49Å; F279-D282 WeakPolarHBondContact CB-OD2 3.26Å; F279-D282 WeakPolarHBondContact CD2-OD2 3.43Å; F279-D282 PolarHBondContact N-OD2 2.59Å; F279-D282 PolarHBondContact O-N 3.35Å; D282-L284 VanDerWaalsContact C-N 3.27Å; D282-L284 PolarHBondContact O-N 2.89Å; D282-H285 WeakPolarHBondContact O-CB 3.39Å; D282-H285 PolarHBondContact O-N 3.04Å
283L98.4Very high97.5Very high2 Ų259.7 Ų59.71%0.0131%0.313CS..Hα-helixtrans-59.4-33.7175.9-71.4-179.6000113.3I111 V185 L265 P278 F279 A281 H285 H286 F289I111-L283 HydrophobicContact CD1-CB 4.21Å; I111-L283 HydrophobicContact CD1-CD1 4.47Å; I111-L283 HydrophobicContact CG1-CD1 4.45Å; I111-L283 HydrophobicContact CG2-CB 3.96Å; V185-L283 HydrophobicContact CG1-CD1 4.26Å; L265-L283 HydrophobicContact CD1-CD2 3.81Å; P278-L283 HydrophobicContact CB-CD2 4.3Å; P278-L283 HydrophobicContact CB-CG 4.44Å; P278-L283 HydrophobicContact CG-CD2 3.43Å; P278-L283 VanDerWaalsContact CG-CD2 3.43Å; P278-L283 HydrophobicContact CG-CG 3.9Å; F279-L283 PolarHBondContact O-N 3.11Å; F279-L283 VanDerWaalsContact O-N 3.16Å; A281-L283 VanDerWaalsContact C-N 3.34Å; L283-H285 PolarHBondContact O-N 2.85Å; L283-H286 WeakPolarHBondContact O-CB 3.39Å; L283-H286 PolarHBondContact O-N 3.13Å; L283-H286 VanDerWaalsContact O-N 3.17Å; L283-F289 WeakPolarHBondContact O-CD2 3.49Å; L283-F289 WeakPolarHBondContact O-CE2 3.32Å
284L97.6Very high97.5Very high26 Ų2659.4 Ų59.414%0.13631%0.31CS..Hα-helixtrans-68.9-21.2176.4-63.5172.6000112.7F108 I111 N112 C280 A281 D282 H286 Q290F108-L284 HydrophobicContact CD2-CD2 3.7Å; F108-L284 HydrophobicContact CE2-CD2 3.87Å; F108-L284 HydrophobicContact CG-CD2 4.28Å; I111-L284 HydrophobicContact CB-CD2 3.89Å; I111-L284 HydrophobicContact CB-CG 4.5Å; I111-L284 HydrophobicContact CG2-CD1 4.4Å; I111-L284 HydrophobicContact CG2-CD2 3.59Å; I111-L284 HydrophobicContact CG2-CG 3.67Å; N112-L284 WeakPolarHBondContact OD1-CD1 3.35Å; C280-L284 PolarHBondContact O-N 2.66Å; A281-L284 PolarHBondContact O-N 2.73Å; D282-L284 VanDerWaalsContact C-N 3.27Å; D282-L284 PolarHBondContact O-N 2.89Å; L284-H286 VanDerWaalsContact C-N 3.31Å; L284-Q290 PolarHBondContact O-NE2 3.23Å
285H97.7Very high97.5Very high136 Ų13658.9 Ų58.963%0.6331%0.308SS*.THydrogen-bonded Turntrans-88.94.7175.5-59.588000112.7A281 D282 L283A281-H285 PolarHBondContact O-CE1 3.17Å; A281-H285 PolarHBondContact O-ND1 3.06Å; D282-H285 WeakPolarHBondContact O-CB 3.39Å; D282-H285 PolarHBondContact O-N 3.04Å; L283-H285 PolarHBondContact O-N 2.85Å
286H98.6Very high97.4Very high11 Ų1158.7 Ų58.75%0.05130%0.302CS..SBendtrans-67.8145.9175.8-159.7-97.9000111.9V261 N264 L265 K268 L283 L284 F288 F289 Q290V261-H286 PolarHBondContact O-CE1 3.36Å; N264-H286 PolarHBondContact OD1-NE2 3.43Å; L265-H286 HydrophobicContact CD1-CB 4.18Å; K268-H286 PolarHBondContact NZ-CD2 2.9Å; K268-H286 PolarHBondContact NZ-NE2 2.94Å; L283-H286 WeakPolarHBondContact O-CB 3.39Å; L283-H286 PolarHBondContact O-N 3.13Å; L283-H286 VanDerWaalsContact O-N 3.17Å; L284-H286 VanDerWaalsContact C-N 3.31Å; H286-F288 WeakPolarHBondContact ND1-CB 3.47Å; H286-F288 PolarHBondContact ND1-N 2.86Å; H286-F288 PolarHBondContact O-N 2.86Å; H286-F289 HydrophobicContact CB-CD2 4.3Å; H286-F289 PolarHBondContact O-N 3.35Å; H286-Q290 PolarHBondContact O-N 3.49Å
287D98.3Very high97.4Very high93 Ų9359.1 Ų59.150%0.49730%0.3SS..Hα-helixtrans-53.4-32.9179.5-54.4-55.4000112.4V261 F289 Q290 M291V261-D287 HydrophobicContact CG2-CB 3.79Å; D287-F289 PolarHBondContact O-N 3.46Å; D287-Q290 PolarHBondContact O-N 3.34Å; D287-Q290 VanDerWaalsContact O-N 3.13Å; D287-M291 HydrophobicContact CB-CG 4.25Å; D287-M291 VanDerWaalsContact O-CB 3.24Å; D287-M291 WeakPolarHBondContact O-CB 3.37Å; D287-M291 WeakPolarHBondContact O-CG 3.36Å; D287-M291 PolarHBondContact O-N 3.27Å
288F98.4Very high97.3Very high0 Ų058.5 Ų58.50%030%0.298CS..Hα-helixtrans-52.9-26.6173.4-178.3-100.1000114.4Y100 V103 Q104 L107 V261 V262 L265 H286Y100-F288 HydrophobicContact CD2-CE2 4.45Å; Y100-F288 HydrophobicContact CE1-CE2 4.36Å; Y100-F288 HydrophobicContact CE2-CD2 4.27Å; Y100-F288 AromaticContact CE2-CE2 3.68Å; Y100-F288 HydrophobicContact CE2-CE2 3.68Å; Y100-F288 AromaticContact CZ-CD2 3.94Å; Y100-F288 AromaticContact CZ-CE2 3.62Å; Y100-F288 WeakPolarHBondContact OH-CD2 3.44Å; V103-F288 HydrophobicContact CG1-CZ 4.34Å; Q104-F288 HydrophobicContact CB-CE1 4.27Å; Q104-F288 HydrophobicContact CB-CZ 4.31Å; Q104-F288 HydrophobicContact CG-CD1 4.34Å; Q104-F288 HydrophobicContact CG-CE1 3.69Å; Q104-F288 HydrophobicContact CG-CE2 3.94Å; Q104-F288 HydrophobicContact CG-CZ 3.46Å; Q104-F288 VanDerWaalsContact CG-CZ 3.46Å; Q104-F288 PolarHBondContact NE2-O 3.43Å; L107-F288 HydrophobicContact CD1-CE1 3.67Å; L107-F288 HydrophobicContact CD1-CZ 4Å; V261-F288 HydrophobicContact CG2-CB 4.02Å; V262-F288 HydrophobicContact CG2-CD2 4.04Å; V262-F288 HydrophobicContact CG2-CE2 3.87Å; L265-F288 HydrophobicContact CD2-CB 4.04Å; L265-F288 HydrophobicContact CD2-CD1 3.51Å; L265-F288 HydrophobicContact CD2-CD2 4.44Å; L265-F288 HydrophobicContact CD2-CE1 4.03Å; L265-F288 HydrophobicContact CD2-CG 3.74Å; H286-F288 WeakPolarHBondContact ND1-CB 3.47Å; H286-F288 PolarHBondContact ND1-N 2.86Å; H286-F288 PolarHBondContact O-N 2.86Å
289F98.3Very high97.3Very high0 Ų059.8 Ų59.80%031%0.308CS..Hα-helixtrans-110.1-21.4173.8-53.5-71000113.7L107 F108 I111 L265 L283 H286 D287 F294 A295L107-F289 HydrophobicContact CB-CE1 3.97Å; L107-F289 HydrophobicContact CB-CZ 3.81Å; F108-F289 HydrophobicContact CB-CD1 4.03Å; F108-F289 HydrophobicContact CB-CE1 3.88Å; F108-F289 HydrophobicContact CD2-CB 4.36Å; F108-F289 AromaticContact CD2-CD1 3.89Å; F108-F289 HydrophobicContact CD2-CD1 3.89Å; F108-F289 HydrophobicContact CD2-CE1 4.44Å; F108-F289 HydrophobicContact CD2-CG 4.17Å; F108-F289 HydrophobicContact CG-CD1 4.47Å; I111-F289 HydrophobicContact CD1-CE2 3.66Å; I111-F289 HydrophobicContact CD1-CZ 3.49Å; I111-F289 VanDerWaalsContact CD1-CZ 3.49Å; L265-F289 HydrophobicContact CD2-CE2 4.4Å; L265-F289 HydrophobicContact CD2-CZ 4.48Å; L283-F289 WeakPolarHBondContact O-CD2 3.49Å; L283-F289 WeakPolarHBondContact O-CE2 3.32Å; H286-F289 HydrophobicContact CB-CD2 4.3Å; H286-F289 PolarHBondContact O-N 3.35Å; D287-F289 PolarHBondContact O-N 3.46Å; F289-F294 HydrophobicContact CB-CD1 4.34Å; F289-F294 HydrophobicContact CD1-CD1 4.34Å; F289-F294 HydrophobicContact CD1-CE1 4.11Å; F289-F294 WeakPolarHBondContact O-CB 3.35Å; F289-A295 HydrophobicContact CB-CB 4.36Å; F289-A295 WeakPolarHBondContact O-CB 3.46Å; F289-A295 PolarHBondContact O-N 3.44Å
290Q97.4Very high97.1Very high82 Ų8258.9 Ų58.938%0.38331%0.306SS..Hα-helixtrans-91-24.6-177.6-60.7-58.6-35.100113.3L284 H286 D287 G293L284-Q290 PolarHBondContact O-NE2 3.23Å; H286-Q290 PolarHBondContact O-N 3.49Å; D287-Q290 PolarHBondContact O-N 3.34Å; D287-Q290 VanDerWaalsContact O-N 3.13Å; Q290-G293 PolarHBondContact O-N 3.03Å
291M93.9Very high97.1Very high95 Ų9561.9 Ų61.947%0.46832%0.319SS..G310 helixtrans-53.8140.1173.8-80179.672.800111.2V261 D287 G293 F294V261-M291 HydrophobicContact CG1-SD 4.47Å; V261-M291 HydrophobicContact CG2-SD 4.34Å; D287-M291 HydrophobicContact CB-CG 4.25Å; D287-M291 VanDerWaalsContact O-CB 3.24Å; D287-M291 WeakPolarHBondContact O-CB 3.37Å; D287-M291 WeakPolarHBondContact O-CG 3.36Å; D287-M291 PolarHBondContact O-N 3.27Å; M291-G293 PolarHBondContact O-N 3.21Å; M291-F294 PolarHBondContact O-N 2.81Å
292D94.4Very high97.2Very high141 Ų14159.3 Ų59.375%0.75430%0.297SS*.G310 helixtrans51.711.5-173.1-53.3-44.3000115.1R297D292-R297 PolarHBondContact O-NH1 3.38Å; D292-R297 PolarHBondContact O-NH2 3.23Å
293G95.5Very high97.1Very high27 Ų2759.7 Ų59.728%0.27830%0.297SS..G310 helixtrans69.432.5-171.600000114Q290 M291 A295 R297Q290-G293 PolarHBondContact O-N 3.03Å; M291-G293 PolarHBondContact O-N 3.21Å; G293-A295 PolarHBondContact O-N 3.43Å; G293-R297 PolarHBondContact O-N 3.4Å; G293-R297 PolarHBondContact O-NH1 2.66Å
294F97.9Very high96.9Very high17 Ų1764.9 Ų64.98%0.07532%0.324CS..Hα-helixtrans-56.5-49.1-179.6166.6-85.8000112.7Q104 K105 F108 F289 M291 E296 R297 F298Q104-F294 HydrophobicContact CB-CD2 4.43Å; Q104-F294 HydrophobicContact CB-CE1 4.01Å; Q104-F294 HydrophobicContact CB-CE2 3.8Å; Q104-F294 HydrophobicContact CB-CZ 3.58Å; K105-F294 HydrophobicContact CG-CE2 3.84Å; K105-F294 HydrophobicContact CG-CZ 3.66Å; F108-F294 HydrophobicContact CB-CE1 4.36Å; F108-F294 HydrophobicContact CD2-CE1 4.44Å; F108-F294 HydrophobicContact CG-CE1 4.48Å; F289-F294 HydrophobicContact CB-CD1 4.34Å; F289-F294 HydrophobicContact CD1-CD1 4.34Å; F289-F294 HydrophobicContact CD1-CE1 4.11Å; F289-F294 WeakPolarHBondContact O-CB 3.35Å; M291-F294 PolarHBondContact O-N 2.81Å; F294-E296 PolarHBondContact O-N 2.91Å; F294-R297 PolarHBondContact O-N 2.69Å; F294-F298 HydrophobicContact CD1-CB 4.46Å; F294-F298 HydrophobicContact CE1-CB 3.99Å; F294-F298 AromaticContact CE1-CD1 3.96Å; F294-F298 HydrophobicContact CE1-CD1 3.96Å; F294-F298 HydrophobicContact CE1-CG 4.23Å; F294-F298 HydrophobicContact CE2-CB 4.11Å; F294-F298 HydrophobicContact CE2-CG 4.32Å; F294-F298 HydrophobicContact CZ-CB 3.79Å; F294-F298 AromaticContact CZ-CD1 3.71Å; F294-F298 HydrophobicContact CZ-CD1 3.71Å; F294-F298 AromaticContact CZ-CG 3.76Å; F294-F298 HydrophobicContact CZ-CG 3.76Å; F294-F298 WeakPolarHBondContact O-CB 3.43Å; F294-F298 PolarHBondContact O-N 2.85Å
295A97Very high96.8Very high8 Ų865.9 Ų65.97%0.06633%0.327CS..Hα-helixtrans-58.5-43-173.900000113.2F108 F289 G293 S299F108-A295 HydrophobicContact CE2-CB 3.75Å; F108-A295 HydrophobicContact CZ-CB 4.35Å; F289-A295 HydrophobicContact CB-CB 4.36Å; F289-A295 WeakPolarHBondContact O-CB 3.46Å; F289-A295 PolarHBondContact O-N 3.44Å; G293-A295 PolarHBondContact O-N 3.43Å; A295-S299 WeakPolarHBondContact O-CB 3.29Å; A295-S299 PolarHBondContact O-N 2.9Å; A295-S299 PolarHBondContact O-OG 2.82Å
296E96Very high96.7Very high136 Ų13661 Ų6164%0.63631%0.305SS*.Hα-helixtrans-66-51.2179.7-169.2-167.9160.300111.2F294 F298 S299 Q300F294-E296 PolarHBondContact O-N 2.91Å; E296-F298 VanDerWaalsContact C-N 3.34Å; E296-F298 PolarHBondContact O-N 3.46Å; E296-S299 PolarHBondContact O-N 3.44Å; E296-Q300 PolarHBondContact O-N 3.27Å
297R97.5Very high96.4Very high142 Ų14264.4 Ų64.454%0.53632%0.321SS..Hα-helixtrans-58.6-46176.6-78.1-165.5-62.1-76.9-0.9112D292 G293 F294 S299 Q300 E301D292-R297 PolarHBondContact O-NH1 3.38Å; D292-R297 PolarHBondContact O-NH2 3.23Å; G293-R297 PolarHBondContact O-N 3.4Å; G293-R297 PolarHBondContact O-NH1 2.66Å; F294-R297 PolarHBondContact O-N 2.69Å; R297-S299 VanDerWaalsContact C-N 3.34Å; R297-S299 PolarHBondContact O-N 3.14Å; R297-Q300 PolarHBondContact O-N 2.93Å; R297-E301 PolarHBondContact O-N 3.48Å
298F98.1Very high96Very high3 Ų365.3 Ų65.31%0.01332%0.32CS..Hα-helixtrans-71.3-31.5-174.5-176.9-123.9000112.1K105 F108 Q109 F294 E296 Q300 E301 L302K105-F298 HydrophobicContact CB-CE1 3.94Å; K105-F298 HydrophobicContact CB-CE2 4Å; K105-F298 HydrophobicContact CB-CZ 3.63Å; K105-F298 HydrophobicContact CD-CD2 3.86Å; K105-F298 HydrophobicContact CD-CE2 3.62Å; K105-F298 HydrophobicContact CD-CZ 4.19Å; K105-F298 HydrophobicContact CG-CD1 4.16Å; K105-F298 HydrophobicContact CG-CD2 3.73Å; K105-F298 HydrophobicContact CG-CE1 3.96Å; K105-F298 HydrophobicContact CG-CE2 3.54Å; K105-F298 HydrophobicContact CG-CG 4.06Å; K105-F298 HydrophobicContact CG-CZ 3.66Å; K105-F298 WeakPolarHBondContact O-CE1 3.45Å; F108-F298 HydrophobicContact CB-CD1 4.21Å; F108-F298 HydrophobicContact CB-CE1 4.2Å; F108-F298 AromaticContact CD1-CD1 3.61Å; F108-F298 HydrophobicContact CD1-CD1 3.61Å; F108-F298 AromaticContact CD1-CE1 3.81Å; F108-F298 HydrophobicContact CD1-CE1 3.81Å; F108-F298 HydrophobicContact CE1-CD1 4.2Å; F108-F298 HydrophobicContact CG-CD1 4.02Å; F108-F298 HydrophobicContact CG-CE1 4.32Å; Q109-F298 HydrophobicContact CG-CE1 4.07Å; Q109-F298 HydrophobicContact CG-CZ 4.28Å; F294-F298 HydrophobicContact CD1-CB 4.46Å; F294-F298 HydrophobicContact CE1-CB 3.99Å; F294-F298 AromaticContact CE1-CD1 3.96Å; F294-F298 HydrophobicContact CE1-CD1 3.96Å; F294-F298 HydrophobicContact CE1-CG 4.23Å; F294-F298 HydrophobicContact CE2-CB 4.11Å; F294-F298 HydrophobicContact CE2-CG 4.32Å; F294-F298 HydrophobicContact CZ-CB 3.79Å; F294-F298 AromaticContact CZ-CD1 3.71Å; F294-F298 HydrophobicContact CZ-CD1 3.71Å; F294-F298 AromaticContact CZ-CG 3.76Å; F294-F298 HydrophobicContact CZ-CG 3.76Å; F294-F298 WeakPolarHBondContact O-CB 3.43Å; F294-F298 PolarHBondContact O-N 2.85Å; E296-F298 VanDerWaalsContact C-N 3.34Å; E296-F298 PolarHBondContact O-N 3.46Å; F298-Q300 VanDerWaalsContact C-N 3.3Å; F298-Q300 PolarHBondContact O-N 2.92Å; F298-E301 HydrophobicContact CD2-CB 4.1Å; F298-E301 HydrophobicContact CD2-CG 4.39Å; F298-E301 PolarHBondContact O-N 3.02Å; F298-L302 HydrophobicContact CE1-CD2 4.42Å; F298-L302 HydrophobicContact CE2-CB 4.39Å; F298-L302 HydrophobicContact CZ-CB 4.36Å; F298-L302 HydrophobicContact CZ-CD1 4.44Å; F298-L302 WeakPolarHBondContact O-CB 3.24Å; F298-L302 PolarHBondContact O-N 3.42Å
299S96.8Very high95.6Very high55 Ų5566.1 Ų66.139%0.38533%0.325SS..Hα-helixtrans-59.9-40.7171.8-58.80000111.8A295 E296 R297 Q303A295-S299 WeakPolarHBondContact O-CB 3.29Å; A295-S299 PolarHBondContact O-N 2.9Å; A295-S299 PolarHBondContact O-OG 2.82Å; E296-S299 PolarHBondContact O-N 3.44Å; R297-S299 VanDerWaalsContact C-N 3.34Å; R297-S299 PolarHBondContact O-N 3.14Å; S299-Q303 PolarHBondContact O-N 3.05Å
300Q95.8Very high95Very high120 Ų12068.8 Ų68.856%0.56135%0.347SS*.Hα-helixtrans-70.2-40.1175.7-60.3176.732.200112.3E296 R297 F298E296-Q300 PolarHBondContact O-N 3.27Å; R297-Q300 PolarHBondContact O-N 2.93Å; F298-Q300 VanDerWaalsContact C-N 3.3Å; F298-Q300 PolarHBondContact O-N 2.92Å
301E97.5Very high94.5Very high65 Ų6571.5 Ų71.530%0.30435%0.354SS..Hα-helixtrans-61.8-41.9173.4-174.6-167.3129.200112K105 R297 F298 L304 K305K105-E301 IonicContact NZ-OE1 2.65Å; K105-E301 PolarHBondContact NZ-OE1 3.31Å; K105-E301 IonicContact NZ-OE2 2.77Å; K105-E301 PolarHBondContact NZ-OE2 2.99Å; R297-E301 PolarHBondContact O-N 3.48Å; F298-E301 HydrophobicContact CD2-CB 4.1Å; F298-E301 HydrophobicContact CD2-CG 4.39Å; F298-E301 PolarHBondContact O-N 3.02Å; E301-L304 PolarHBondContact O-N 3.47Å; E301-K305 HydrophobicContact CG-CD 4.26Å; E301-K305 WeakPolarHBondContact O-CG 3.47Å; E301-K305 PolarHBondContact O-N 2.8Å; E301-K305 VanDerWaalsContact O-N 3.14Å; E301-K305 WeakPolarHBondContact OE1-CE 3.19Å; E301-K305 IonicContact OE1-NZ 3.76Å; E301-K305 PolarHBondContact OE1-NZ 3.11Å
302L97.1Very high93.8Very high4 Ų471 Ų712%0.02135%0.353CS..Hα-helixtrans-66.4-44.4-175.4178.456.6000111.8Q109 V139 F298 L304 K305 I306Q109-L302 HydrophobicContact CG-CD1 4.21Å; Q109-L302 HydrophobicContact CG-CD2 3.83Å; Q109-L302 VanDerWaalsContact OE1-CD1 3.31Å; V139-L302 HydrophobicContact CG2-CD1 4.28Å; F298-L302 HydrophobicContact CE1-CD2 4.42Å; F298-L302 HydrophobicContact CE2-CB 4.39Å; F298-L302 HydrophobicContact CZ-CB 4.36Å; F298-L302 HydrophobicContact CZ-CD1 4.44Å; F298-L302 WeakPolarHBondContact O-CB 3.24Å; F298-L302 PolarHBondContact O-N 3.42Å; L302-L304 VanDerWaalsContact C-N 3.31Å; L302-L304 PolarHBondContact O-N 2.89Å; L302-K305 WeakPolarHBondContact O-CB 3.29Å; L302-K305 PolarHBondContact O-N 3.21Å; L302-K305 VanDerWaalsContact O-N 3.08Å; L302-I306 HydrophobicContact CD1-CD1 3.9Å; L302-I306 HydrophobicContact CD1-CG1 4.15Å; L302-I306 HydrophobicContact CG-CD1 3.76Å; L302-I306 HydrophobicContact CG-CG1 4.48Å; L302-I306 WeakPolarHBondContact O-CD1 3.49Å; L302-I306 WeakPolarHBondContact O-CG1 3.36Å; L302-I306 PolarHBondContact O-N 3.38Å
303Q95.9Very high92.9Very high91 Ų9166.8 Ų66.843%0.42533%0.33SS..Hα-helixtrans-53.8-47.5174.5177.960.230.500111.7S299 K305 I306 E307S299-Q303 PolarHBondContact O-N 3.05Å; Q303-K305 VanDerWaalsContact C-N 3.32Å; Q303-K305 PolarHBondContact O-N 3.26Å; Q303-I306 PolarHBondContact O-N 2.87Å; Q303-E307 PolarHBondContact NE2-OE1 3.21Å; Q303-E307 WeakPolarHBondContact O-CG 3.37Å; Q303-E307 PolarHBondContact O-N 3.07Å
304L95.6Very high91.6Very high111 Ų11169.6 Ų69.658%0.58135%0.346SS*.Hα-helixtrans-65.7-32.9179.1-64.6173.6000112.8E301 L302 K308E301-L304 PolarHBondContact O-N 3.47Å; L302-L304 VanDerWaalsContact C-N 3.31Å; L302-L304 PolarHBondContact O-N 2.89Å; L304-K308 WeakPolarHBondContact O-CB 2.97Å; L304-K308 PolarHBondContact O-N 3.4Å; L304-K308 VanDerWaalsContact O-N 3.09Å
305K96Very high89.6Confident46 Ų4674.4 Ų74.420%0.237%0.372CS..Hα-helixtrans-68.8-44.4173.2-75.3172.4160.4-176.10112.1S137 V139 E301 L302 Q303 E307 K308 D309S137-K305 VanDerWaalsContact O-CD 3.27Å; S137-K305 WeakPolarHBondContact O-CD 3.47Å; S137-K305 WeakPolarHBondContact O-CE 3.44Å; S137-K305 PolarHBondContact O-NZ 3.36Å; V139-K305 HydrophobicContact CG2-CB 3.82Å; E301-K305 HydrophobicContact CG-CD 4.26Å; E301-K305 WeakPolarHBondContact O-CG 3.47Å; E301-K305 PolarHBondContact O-N 2.8Å; E301-K305 VanDerWaalsContact O-N 3.14Å; E301-K305 WeakPolarHBondContact OE1-CE 3.19Å; E301-K305 IonicContact OE1-NZ 3.76Å; E301-K305 PolarHBondContact OE1-NZ 3.11Å; L302-K305 WeakPolarHBondContact O-CB 3.29Å; L302-K305 PolarHBondContact O-N 3.21Å; L302-K305 VanDerWaalsContact O-N 3.08Å; Q303-K305 VanDerWaalsContact C-N 3.32Å; Q303-K305 PolarHBondContact O-N 3.26Å; K305-E307 VanDerWaalsContact C-N 3.33Å; K305-E307 PolarHBondContact O-N 3.26Å; K305-K308 WeakPolarHBondContact O-CB 3.31Å; K305-K308 PolarHBondContact O-N 2.8Å; K305-K308 VanDerWaalsContact O-N 3.11Å; K305-D309 PolarHBondContact O-N 3.44Å
306I94.3Very high87.4Confident35 Ų3578.1 Ų78.118%0.17940%0.395CS..Hα-helixtrans-60.8-43.3176.7-67.9158.3000110.6E61 V139 L302 Q303 K308 D309 A310E61-I306 HydrophobicContact CB-CD1 3.61Å; E61-I306 HydrophobicContact CB-CG1 4.24Å; E61-I306 HydrophobicContact CG-CD1 3.86Å; E61-I306 VanDerWaalsContact OE1-CD1 3.24Å; E61-I306 WeakPolarHBondContact OE1-CD1 3.5Å; V139-I306 HydrophobicContact CG1-CG1 4.12Å; V139-I306 HydrophobicContact CG2-CG1 4.07Å; L302-I306 HydrophobicContact CD1-CD1 3.9Å; L302-I306 HydrophobicContact CD1-CG1 4.15Å; L302-I306 HydrophobicContact CG-CD1 3.76Å; L302-I306 HydrophobicContact CG-CG1 4.48Å; L302-I306 WeakPolarHBondContact O-CD1 3.49Å; L302-I306 WeakPolarHBondContact O-CG1 3.36Å; L302-I306 PolarHBondContact O-N 3.38Å; Q303-I306 PolarHBondContact O-N 2.87Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 2.93Å; I306-D309 PolarHBondContact O-N 2.82Å; I306-A310 WeakPolarHBondContact O-CB 3.48Å; I306-A310 PolarHBondContact O-N 3.46Å
307E92.6Very high85.2Confident82 Ų8281 Ų8138%0.38341%0.406SS..Hα-helixtrans-65-34174.7-72.8176.1-160.100113.3Q303 K305 R311Q303-E307 PolarHBondContact NE2-OE1 3.21Å; Q303-E307 WeakPolarHBondContact O-CG 3.37Å; Q303-E307 PolarHBondContact O-N 3.07Å; K305-E307 VanDerWaalsContact C-N 3.33Å; K305-E307 PolarHBondContact O-N 3.26Å; E307-R311 WeakPolarHBondContact O-CG 3.38Å; E307-R311 PolarHBondContact O-N 2.85Å; E307-R311 PolarHBondContact O-NE 3.08Å
308K90.4Very high82.5Confident111 Ų11183.5 Ų83.548%0.48342%0.42SS..Hα-helixtrans-66.1-45173-177.2-177176.4-173.90110.7L304 K305 I306 R311 N312L304-K308 WeakPolarHBondContact O-CB 2.97Å; L304-K308 PolarHBondContact O-N 3.4Å; L304-K308 VanDerWaalsContact O-N 3.09Å; K305-K308 WeakPolarHBondContact O-CB 3.31Å; K305-K308 PolarHBondContact O-N 2.8Å; K305-K308 VanDerWaalsContact O-N 3.11Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 2.93Å; K308-R311 PolarHBondContact O-N 3.18Å; K308-N312 VanDerWaalsContact O-CG 3.27Å; K308-N312 PolarHBondContact O-N 2.83Å; K308-N312 PolarHBondContact O-ND2 3Å
309D88.6Confident79.7Confident18 Ų1888 Ų8810%0.09645%0.452CS..Hα-helixtrans-69.4-36.3179-808.6000113.1S135 S137 K305 I306 R311 N312 N313S135-D309 WeakPolarHBondContact CB-OD2 3.41Å; S135-D309 PolarHBondContact OG-OD2 2.8Å; S137-D309 WeakPolarHBondContact CB-OD1 3.46Å; S137-D309 PolarHBondContact OG-OD1 2.91Å; S137-D309 PolarHBondContact OG-OD2 2.68Å; K305-D309 PolarHBondContact O-N 3.44Å; I306-D309 PolarHBondContact O-N 2.82Å; D309-R311 VanDerWaalsContact C-N 3.34Å; D309-N312 PolarHBondContact O-N 2.77Å; D309-N313 VanDerWaalsContact O-CB 3.31Å; D309-N313 WeakPolarHBondContact O-CB 3.49Å; D309-N313 PolarHBondContact O-N 3.04Å; D309-N313 PolarHBondContact O-ND2 3.04Å
310A86.9Confident77Confident56 Ų5694.2 Ų94.246%0.46348%0.475SS..Hα-helixtrans-62.6-40.1173.600000111.7I306 N313 S314I306-A310 WeakPolarHBondContact O-CB 3.48Å; I306-A310 PolarHBondContact O-N 3.46Å; A310-N313 PolarHBondContact O-N 2.8Å; A310-S314 WeakPolarHBondContact O-CB 3.43Å; A310-S314 PolarHBondContact O-N 2.87Å; A310-S314 PolarHBondContact O-OG 3.36Å
311R85.9Confident74.3Confident138 Ų13895.5 Ų95.552%0.52149%0.486SS..Hα-helixtrans-65.1-47.7172.1-74.9174.5-74179.4-6111.7E307 K308 D309 N313 S314 L315E307-R311 WeakPolarHBondContact O-CG 3.38Å; E307-R311 PolarHBondContact O-N 2.85Å; E307-R311 PolarHBondContact O-NE 3.08Å; K308-R311 PolarHBondContact O-N 3.18Å; D309-R311 VanDerWaalsContact C-N 3.34Å; R311-N313 VanDerWaalsContact C-N 3.26Å; R311-N313 PolarHBondContact O-N 3.28Å; R311-S314 WeakPolarHBondContact CA-OG 3.3Å; R311-S314 PolarHBondContact O-N 3.1Å; R311-S314 PolarHBondContact O-OG 2.76Å; R311-S314 VanDerWaalsContact O-OG 3.07Å; R311-L315 WeakPolarHBondContact O-CG 3.41Å; R311-L315 PolarHBondContact O-N 3.11Å; R311-L315 VanDerWaalsContact O-N 3.13Å
312N80.9Confident71.4Confident86 Ų86103.4 Ų103.446%0.4651%0.513SS..Hα-helixtrans-59.5-34.6177-71.1-22.5000113.2K308 D309K308-N312 VanDerWaalsContact O-CG 3.27Å; K308-N312 PolarHBondContact O-N 2.83Å; K308-N312 PolarHBondContact O-ND2 3Å; D309-N312 PolarHBondContact O-N 2.77Å
313N74.3Confident68.7Low51 Ų51110.9 Ų110.927%0.27355%0.545SS..Hα-helixtrans-80.6-17.3178.6-88.8-77.1000114.9R28 D309 A310 R311R28-N313 WeakPolarHBondContact CD-O 3.42Å; R28-N313 PolarHBondContact NE-O 2.65Å; R28-N313 PolarHBondContact NE-OD1 3.35Å; R28-N313 PolarHBondContact NH2-OD1 3.23Å; D309-N313 VanDerWaalsContact O-CB 3.31Å; D309-N313 WeakPolarHBondContact O-CB 3.49Å; D309-N313 PolarHBondContact O-N 3.04Å; D309-N313 PolarHBondContact O-ND2 3.04Å; A310-N313 PolarHBondContact O-N 2.8Å; R311-N313 VanDerWaalsContact C-N 3.26Å; R311-N313 PolarHBondContact O-N 3.28Å
314S69.3Low65.8Low87 Ų87115.7 Ų115.761%0.60857%0.565SS**Hα-helixtrans-101.5-24.3-17749.60000113.7A310 R311 P316A310-S314 WeakPolarHBondContact O-CB 3.43Å; A310-S314 PolarHBondContact O-N 2.87Å; A310-S314 PolarHBondContact O-OG 3.36Å; R311-S314 WeakPolarHBondContact CA-OG 3.3Å; R311-S314 PolarHBondContact O-N 3.1Å; R311-S314 PolarHBondContact O-OG 2.76Å; R311-S314 VanDerWaalsContact O-OG 3.07Å; S314-P316 WeakPolarHBondContact O-CD 3.18Å
315L56Low62.9Low117 Ų117117.1 Ų117.161%0.61357%0.568SS**SBendtrans-71.7120.5178.8-74.5169.1000112.2R311 K317R311-L315 WeakPolarHBondContact O-CG 3.41Å; R311-L315 PolarHBondContact O-N 3.11Å; R311-L315 VanDerWaalsContact O-N 3.13Å; L315-K317 PolarHBondContact O-N 2.87Å
316P50.7Low60Low87 Ų87121.4 Ų121.457%0.56559%0.587SS**  trans-68.9114.9168.628.5-32.3000109S314 K318S314-P316 WeakPolarHBondContact O-CD 3.18Å; P316-K318 VanDerWaalsContact C-N 3.29Å; P316-K318 PolarHBondContact O-N 2.86Å
317K48.9Very low57.1Low195 Ų195127.2 Ų127.285%0.84862%0.619SS**  trans-66.585.3174.6-72.8-172.1176.7-1770110.3L315 S319L315-K317 PolarHBondContact O-N 2.87Å; K317-S319 PolarHBondContact O-N 3.47Å; K317-S319 VanDerWaalsContact O-N 3.15Å
318K41Very low54.3Low195 Ų195129.6 Ų129.685%0.84863%0.634SS**  trans-53.2117.8165.6-74.6-175175.6-179.10108.1P316 Q320P316-K318 VanDerWaalsContact C-N 3.29Å; P316-K318 PolarHBondContact O-N 2.86Å; K318-Q320 PolarHBondContact O-N 3Å
319S40.1Very low51.6Low97 Ų97128.8 Ų128.868%0.67865%0.648SS**  trans-65.3121.2179.643.50000110K317 N321K317-S319 PolarHBondContact O-N 3.47Å; K317-S319 VanDerWaalsContact O-N 3.15Å; S319-N321 PolarHBondContact O-N 3.44Å
320Q39.1Very low48.9Very low186 Ų186136.8 Ų136.887%0.86969%0.69SS**  trans-77.355.1166.8-71.7-158.6300111.1K318 R322K318-Q320 PolarHBondContact O-N 3Å; Q320-R322 PolarHBondContact O-N 3.15Å
321N38.4Very low46.2Very low147 Ų147138.1 Ų138.179%0.78671%0.709SS**  trans-77.464.6162.3-8119.1000109.1S319 K323S319-N321 PolarHBondContact O-N 3.44Å; N321-K323 VanDerWaalsContact C-N 3.34Å; N321-K323 PolarHBondContact O-N 2.84Å; N321-K323 VanDerWaalsContact O-N 3.11Å
322R38.4Very low43.6Very low232 Ų232140.5 Ų140.588%0.87573%0.726SS**  trans-72.697.5157.7-84-170.3169-170.1-4106.9Q320 K324Q320-R322 PolarHBondContact O-N 3.15Å; R322-K324 PolarHBondContact O-N 3.22Å; R322-K324 VanDerWaalsContact O-N 3.17Å
323K39.4Very low41.2Very low160 Ų160142.2 Ų142.270%0.69673%0.731SS**  trans-45.5122.3162.2-93.9-179.1153.2-159.40108N321 E325N321-K323 VanDerWaalsContact C-N 3.34Å; N321-K323 PolarHBondContact O-N 2.84Å; N321-K323 VanDerWaalsContact O-N 3.11Å; K323-E325 VanDerWaalsContact C-N 3.27Å; K323-E325 HydrophobicContact CB-CG 4.5Å; K323-E325 HydrophobicContact CD-CG 4.49Å; K323-E325 VanDerWaalsContact CE-OE1 3.32Å; K323-E325 WeakPolarHBondContact CE-OE1 3.33Å; K323-E325 IonicContact NZ-OE1 3.44Å; K323-E325 PolarHBondContact NZ-OE1 3.29Å; K323-E325 IonicContact NZ-OE2 2.75Å; K323-E325 PolarHBondContact O-N 3.01Å
324K34.4Very low39.2Very low193 Ų193148.2 Ų148.284%0.83975%0.75SS**  trans-95.663.9169.8-165.1178.9-177.5-177.90108.2R322 K326R322-K324 PolarHBondContact O-N 3.22Å; R322-K324 VanDerWaalsContact O-N 3.17Å; K324-K326 PolarHBondContact O-N 3.25Å
325E34.4Very low37.4Very low140 Ų140152.8 Ų152.865%0.65476%0.759SS**  trans-66.3123.7164.6-78.2164.9163.900106.7K323K323-E325 VanDerWaalsContact C-N 3.27Å; K323-E325 HydrophobicContact CB-CG 4.5Å; K323-E325 HydrophobicContact CD-CG 4.49Å; K323-E325 VanDerWaalsContact CE-OE1 3.32Å; K323-E325 WeakPolarHBondContact CE-OE1 3.33Å; K323-E325 IonicContact NZ-OE1 3.44Å; K323-E325 PolarHBondContact NZ-OE1 3.29Å; K323-E325 IonicContact NZ-OE2 2.75Å; K323-E325 PolarHBondContact O-N 3.01Å
326K35.6Very low36.1Very low136 Ų136152.9 Ų152.959%0.59176%0.764SS**  trans-124.395.3-172.7179.1-178-176.1-72.70106.4K324 D328K324-K326 PolarHBondContact O-N 3.25Å; K326-D328 IonicContact NZ-OD1 2.69Å; K326-D328 PolarHBondContact NZ-OD1 2.98Å; K326-D328 IonicContact NZ-OD2 2.81Å; K326-D328 PolarHBondContact NZ-OD2 2.99Å; K326-D328 PolarHBondContact O-N 2.84Å
327D34.2Very low34.9Very low158 Ų158155.8 Ų155.885%0.84577%0.774SS**  trans-66.7115.9168.5-63.3-46.4000108.1
328D33.2Very low33.8Very low132 Ų132152.7 Ų152.771%0.70677%0.772SS**  trans-9693.5170.7-88.6-44.9000109.2K326K326-D328 IonicContact NZ-OD1 2.69Å; K326-D328 PolarHBondContact NZ-OD1 2.98Å; K326-D328 IonicContact NZ-OD2 2.81Å; K326-D328 PolarHBondContact NZ-OD2 2.99Å; K326-D328 PolarHBondContact O-N 2.84Å
329A34.4Very low33.1Very low94 Ų94148.8 Ų148.878%0.77776%0.764SS**  trans-114.2129.7173.600000110.3
330L32.2Very low32.5Very low185 Ų185151.8 Ų151.897%0.96977%0.767SS**  trans-56.9142.8-175.7-59.4158.8000112.9
331G28.9Very low31.9Very low84 Ų84149.5 Ų149.587%0.86676%0.761SS**  trans-174125.9171.900000111.6
332E31.4Very low31.4Very low188 Ų188148 Ų14888%0.87976%0.757SS**  trans-115.8161.5-162.2-133.2179.8168.100114.2
333E31.9Very low30.8Very low122 Ų122144.1 Ų144.157%0.5775%0.754SS**  trans82.2131.8151.4-73.7-142.1116.600124.9
334R32.4Very low30.3Very low177 Ų177141.3 Ų141.367%0.66876%0.761SS**  trans77.9113.8141.8-70.1171.8-171.4171.319.9119.3
335K29.9Very low30Very low183 Ų183139.2 Ų139.280%0.79676%0.759SS**  73.5138.391.4-69.1179.1-173176.60112.2
336T28.6Very low30.5Very low119 Ų119137.7 Ų137.773%0.7376%0.761SS**  cis-152160.436.645.70000114.8
337L27Very low30.3Very low148 Ų148140 Ų14078%0.77577%0.771SS**  trans28.8123.2137.8-55.7164.9000119
338V24.4Very low30.1Very low130 Ų130140.7 Ų140.779%0.78877%0.773SS**  68.6122.752.7-174.70000114.1
339V27.8Very low30Very low114 Ų114142.2 Ų142.269%0.69177%0.773SS**  trans155.8120.2142.5156.60000113.1
340Q27.5Very low29.9Very low160 Ų160143.5 Ų143.575%0.74877%0.767SS**  trans59.5127146.2-65.9179-3400120.8
341D25.5Very low29.9Very low137 Ų137139.7 Ų139.773%0.73376%0.756SS**  85.6149.775.4-62.6-15.1000112.9
342T27.6Very low30Very low115 Ų115144.8 Ų144.871%0.70675%0.754SS**  cis-150.91588.8-3.20000112.6
343N25.5Very low29.8Very low151 Ų151141.4 Ų141.481%0.80775%0.746SS**  trans12.5139.5148.4-56.1-29.4000123.4
344A29.5Very low29.5Very low101 Ų101142.4 Ų142.484%0.83575%0.754SS**  140129.812000000117.6
345D27.9Very low29.2Very low150 Ų150144 Ų14480%0.80277%0.766SS**  trans-73.9176.1159.2-111.3-51.1000110.8
346P46.2Very low29.2Very low107 Ų107142.1 Ų142.170%0.69576%0.764SS**  cis-142168.52140.4-19.8000119.7
347K29.4Very low29.1Very low184 Ų184146.5 Ų146.580%0.877%0.772SS**  trans19134.4143.1-53.3170.2-177.8170.90120.9
348I31.6Very low29Very low173 Ų173143 Ų14389%0.88777%0.772SS**  -177.9176.3111.4-94.8168.5000112.5
349K30.6Very low29.3Very low164 Ų164142.1 Ų142.171%0.71377%0.772SS**  trans-97.7162.7-150.5-94168.5134.9-102.70118.8
350D32.5Very low29.3Very low121 Ų121145.4 Ų145.465%0.64778%0.777SS**  trans68.4107.9138.6-65.4-23.7000122.8
351S31.2Very low29.5Very low105 Ų105144.2 Ų144.273%0.73477%0.774SS**  142.9154.395.167.10000119.3
352K30.8Very low29.5Very low191 Ų191145.2 Ų145.283%0.8378%0.779SS**  trans84.3128.5146.1-84.5177.2-179.5175.20124.1
353V28.1Very low29.6Very low118 Ų118142.4 Ų142.472%0.71577%0.774SS**  trans97.5105.6131.4167.40000121.7
354L25.2Very low29.8Very low142 Ų142142.9 Ų142.974%0.74377%0.771SS**  trans38.8131.4137.7-71.2150.9000122.5I356L354-I356 HydrophobicContact CD2-CD1 4.44Å; L354-I356 HydrophobicContact CD2-CG1 4.24Å
355K26.7Very low29.9Very low211 Ų211145.7 Ų145.792%0.91776%0.764SS**  -147.2161.6121.7-135166.2-172.1170.10113.1
356I29.5Very low30.1Very low144 Ų144142.6 Ų142.674%0.73876%0.76SS**  trans-119.9138.9-165.1-63.1162000110.7L354L354-I356 HydrophobicContact CD2-CD1 4.44Å; L354-I356 HydrophobicContact CD2-CG1 4.24Å
357K26.9Very low29.4Very low211 Ų211144.6 Ų144.692%0.91776%0.76SS**  trans-160.1152.2142.9-128.8176.7-177.9-178.50111
358G25.2Very low29.5Very low75 Ų75144.1 Ų144.177%0.77376%0.758SS**  trans-170.3173.7177.400000112.9
359S29.3Very low29.4Very low111 Ų111138.6 Ų138.678%0.77674%0.744SS**  trans-153.3113.6175.247.40000106.8
360K29.7Very low29.5Very low182 Ų182136.6 Ų136.679%0.79175%0.75SS**  67.811493.9-72.7-143170.1-170.60112.8
361I30.5Very low29.5Very low136 Ų136141.8 Ų141.870%0.69776%0.761SS**  73.8128.670.4-70.4170.4000109.2
362D26.6Very low29.8Very low157 Ų157141 Ų14184%0.8476%0.761SS**  cis-125.2-176.717.1-85-63.3000112.5
363G28.7Very low30.1Very low57 Ų57137 Ų13759%0.58876%0.757SS**  cis140114.2-9.500000115.5
364E31Very low30.5Very low161 Ų161138.9 Ų138.975%0.75276%0.763SS**  trans66.6161.3154.8-55.9-149.8126.500119.7
365K31.3Very low31Very low159 Ų159136.1 Ų136.169%0.69176%0.761SS**  cis-161.4158.7-6-128.9168.5-171.7141.70112.7
366A30.7Very low31Very low86 Ų86130.9 Ų130.971%0.71175%0.75SS**  trans58.4158.6147.400000120
367E32.1Very low31.2Very low149 Ų149129.4 Ų129.470%0.69675%0.752SS**  cis-169178.7-20.3-101.4-165.5134.400105.8
368K32.4Very low31.4Very low173 Ų173126.1 Ų126.175%0.75274%0.743SS**  cis-162.9167-0-122.3164.3179.8131.70105.8
369G27.7Very low31.6Very low58 Ų58130.5 Ų130.560%0.59874%0.743SS**  cis162157.6-10.200000112.8
370S33.7Very low31.4Very low121 Ų121132.4 Ų132.485%0.84675%0.745SS**  trans66.6157.816379.40000119
371R33.3Very low31.3Very low230 Ų230128.5 Ų128.587%0.86874%0.741SS**  cis-128.3144.95.2-92.1-175.5161.1121.5-7.6109.6
372A36.8Very low31.2Very low89 Ų89126 Ų12674%0.73675%0.748SS**  68145.270.400000113.3
373S37.6Very low31.4Very low106 Ų106125.3 Ų125.374%0.74175%0.75SS**  cis-163169.31927.20000108
374N36.2Very low31.5Very low159 Ų159128.3 Ų128.385%0.8576%0.762SS**  cis-166.3174.33.2-108.78.4000106.2
375A34.4Very low31.5Very low84 Ų84129.3 Ų129.369%0.69477%0.766SS**  cis-159.1-142.7-15.900000105.5
376S28.3Very low31.6Very low100 Ų100129.8 Ų129.870%0.69977%0.774SS**  cis-167.3131.8-3.8440000111.7
377C33.3Very low31.6Very low114 Ų114135.5 Ų135.577%0.7778%0.783SS**  trans58.6144.3132.2-55.70000123.5
378L30.2Very low31.3Very low141 Ų141132 Ų13274%0.73879%0.786SS**  cis-162.1178-8.7-104.7170.9000111.3
379H29.9Very low31.1Very low167 Ų167131.9 Ų131.977%0.77379%0.794SS**  trans-33.4160.6177.3-65.7-56.3000119.7
380D24.3Very low31.8Very low151 Ų151133.9 Ų133.981%0.80780%0.796SS**  -156-160.356.2-160.99.3000117
381S28.8Very low31.6Very low101 Ų101132.5 Ų132.571%0.70679%0.786SS**  trans-139.5145.6-145.5-32.70000113.1
382G27.6Very low31.2Very low82 Ų82127.8 Ų127.885%0.84578%0.783SS**  trans-169103.7177.600000116.6
383T31.9Very low30.7Very low144 Ų144128.2 Ų128.288%0.88378%0.781SS**  trans-58144.918040.90000117.6
384S29.6Very low30.2Very low120 Ų120130.6 Ų130.684%0.83978%0.784SS**  -167.7160.8118.248.70000113.2
385H30.9Very low29.8Very low181 Ų181134.6 Ų134.684%0.83879%0.787SS**  trans-87.2161.1174.4-66.9-73.9000110.6
386I32.8Very low29.5Very low169 Ų169137.4 Ų137.487%0.86779%0.791SS**  -172.716283.8-91.2174.2000111.1
387K30.7Very low29.4Very low207 Ų207139.3 Ų139.390%0.980%0.803SS**  trans-73.1157.9177-54.6164.6-176.7172.40111.7
388G27.2Very low29.2Very low74 Ų74138.5 Ų138.576%0.76380%0.798SS**  cis168.1-166.9200000112.4
389L27.6Very low29.2Very low172 Ų172139 Ų13990%0.90180%0.801SS**  trans-62.4170.2171.4-122.963.4000112.2
390P42.2Very low29.2Very low100 Ų100136.8 Ų136.865%0.64980%0.8SS**  cis-148.6166.610.743.3-23.2000120.8
391S29.1Very low29.4Very low91 Ų91136 Ų13664%0.63680%0.795SS**  trans58.1156.4134.269.70000124.5
392T25.5Very low29.8Very low132 Ų132138.2 Ų138.281%0.8180%0.798SS**  trans67.3146.7162550000117.6
393S27.1Very low29.8Very low98 Ų98141.7 Ų141.769%0.68580%0.797SS**  cis-166.3160.4-14.848.70000110.9
394L27.6Very low29.8Very low156 Ų156143 Ų14382%0.81779%0.793SS**  trans13.4123.1150.3-70.8161.8000118.8
395R27.8Very low29.8Very low242 Ų242142.5 Ų142.591%0.91379%0.789SS**  -168.7157.3109.5-107.4174.5-169.5-176.23.7114.3
396D26.9Very low29.7Very low143 Ų143145.5 Ų145.577%0.76579%0.793SS**  trans-76.8154.8176.7-38.3-99.2000112.4
397C25.6Very low29.8Very low140 Ų140144.8 Ų144.895%0.94679%0.791SS**  trans-142.8134.4153.7-920000108.6
398S30.8Very low30.3Very low97 Ų97140.9 Ų140.968%0.67879%0.787SS**  trans-130.2150-179.154.60000112
399N29.8Very low30.3Very low151 Ų151140.7 Ų140.781%0.80779%0.785SS**  trans68.9157.2172.8-47.9-29.5000113.8
400V30.1Very low30.3Very low121 Ų121141.4 Ų141.473%0.73379%0.786SS**  cis-157.1149.343.2162.70000111.3
401N27.1Very low29.6Very low135 Ų135140.6 Ų140.672%0.72279%0.787SS**  trans40.9127.9159.9-61.5-2000120.9
402I39Very low29.8Very low147 Ų147143.9 Ų143.975%0.75480%0.796SS**  62.5110.664.9-59.3170.2000113.5
403D26.6Very low30.3Very low156 Ų156143.3 Ų143.383%0.83480%0.795SS**  -158.1167.3121.4-142.7-24.3000112
404H31.5Very low30.9Very low172 Ų172143.8 Ų143.880%0.79680%0.796SS**  trans-118.8145.9-176.1-80.7-64.6000113.5
405S30.8Very low30.8Very low109 Ų109143.3 Ų143.376%0.76279%0.793SS**  156.5165.4111.463.30000116.1
406R28.3Very low30.7Very low243 Ų243136.8 Ų136.892%0.91778%0.78SS**  trans76.297160.7-71.5-174.6169.1177.6-2.3121.3
407N33.8Very low30.7Very low154 Ų154137.6 Ų137.682%0.82478%0.779SS**  trans-62.4164.5146.7-115.7-1.1000112
408P42.7Very low30.7Very low126 Ų126137.1 Ų137.182%0.81877%0.767SS**  -155.2152.587.639.4-20.3000119.7
409G26.9Very low30.6Very low69 Ų69140.3 Ų140.371%0.71178%0.776SS**  trans87.7150.7148.900000117.4
410M28.3Very low30.4Very low187 Ų187139.2 Ų139.292%0.92178%0.78SS**  cis-161.2170.1-3.4-84.1-178.866.900107.2
411A27.4Very low30.3Very low83 Ų83137.7 Ų137.769%0.68678%0.78SS**  cis-168.1166.9-3000000108.1
412I32.2Very low30.5Very low161 Ų161138.3 Ų138.383%0.82679%0.789SS**  trans-109.9153.3-179.3-52.5163.4000110
413P36.2Very low30.1Very low119 Ų119135.6 Ų135.677%0.77379%0.788SS**  trans-141.6163.6133.835.2-20000116.3
414P38.9Very low31Very low109 Ų109134.4 Ų134.471%0.70879%0.789SS**  trans-124.1-167.1-176.133.1-11.4000114.2
415L27.1Very low31Very low146 Ų146129.2 Ų129.276%0.76478%0.782SS**  trans137109.5138.3-71.4171.1000119.3
416T24.9Very low31.1Very low105 Ų105131.6 Ų131.664%0.64479%0.785SS**  51.9137.6126.962.60000127.7
417H27.6Very low31.2Very low159 Ų159127 Ų12774%0.73678%0.778SS**  trans93.8121131.8-83.2-55.7000124.9
418N26Very low31.3Very low130 Ų130124.3 Ų124.370%0.69578%0.778SS**  trans105130130.2-71-8.6000124.9
419L27.2Very low30.6Very low165 Ų165122.1 Ų122.186%0.86478%0.778SS**  trans60.8118.7141.7-66.3167.8000123.2
420S26.9Very low30.8Very low127 Ų127128.2 Ų128.289%0.88879%0.79SS**  -170.4176.8115-161.30000111.4
421A27.5Very low30.9Very low90 Ų90122.4 Ų122.474%0.74478%0.778SS**  trans-143.2158-169.700000115.2
422V30.6Very low31Very low148 Ų148125.3 Ų125.390%0.89779%0.787SS**  trans-148.3142.8156.7179.10000109.9
423A30.6Very low31.3Very low89 Ų89125.3 Ų125.374%0.73679%0.787SS**  trans-140.6159.216500000108.7
424P46.6Very low31.6Very low131 Ų131125.8 Ų125.885%0.85179%0.791SS**  -147.3175.68236.8-18000114.7
425G29.6Very low31Very low64 Ų64124.3 Ų124.366%0.6680%0.795SS**  cis157.7173.8-8.900000113.7
426I34.2Very low31.3Very low159 Ų159123.9 Ų123.982%0.81580%0.798SS**  trans71.3137.6161.7-46.4177.4000115.8
427N30.2Very low31.5Very low145 Ų145127.4 Ų127.478%0.77581%0.807SS**  cis-118.2155.62-89.3-50.4000109.5
428A35.3Very low31.7Very low99 Ų99124.8 Ų124.882%0.81881%0.807SS**  cis70.5126.647.900000114.5
429G27.8Very low31.8Very low80 Ų80129 Ų12983%0.82582%0.815SS**  cis-162.5-152.3-2.700000109.7
430M32.6Very low31.9Very low197 Ų197132 Ų13297%0.9782%0.815SS**  cis-172.2138.8-4.6179.9155.5169.500111.4
431G28.6Very low32.1Very low64 Ų64133 Ų13366%0.6682%0.815SS**  trans66.1160.2157.600000120
432T31.4Very low32.2Very low144 Ų144135.2 Ų135.288%0.88381%0.814SS**  cis-161.1155.6-10.5-2.10000111.2
433I36.6Very low32.2Very low162 Ų162134.8 Ų134.883%0.83180%0.802SS**  trans-125.5132.6171.3-79174.5000106.7
434P42.7Very low32.2Very low129 Ų129137.6 Ų137.684%0.83880%0.798SS**  -155.5169.4103.140.4-21.8000116.7
435G27.7Very low31.4Very low77 Ų77137 Ų13779%0.79479%0.792SS**  trans158.3109.3160.900000114.9
436V32.9Very low31.5Very low138 Ų138142.9 Ų142.984%0.83680%0.799SS**  trans-118.9132.6170.7173.90000108.9
437Q29.4Very low31.4Very low178 Ų178143.9 Ų143.983%0.83280%0.798SS**  trans-158.9145.6160-117165.68.800112.1
438S31Very low31.5Very low105 Ų105147.5 Ų147.573%0.73480%0.802SS**  trans-127.4136.7-176.8-55.50000110.2
439Y29.2Very low31.1Very low219 Ų219148.4 Ų148.486%0.85980%0.801SS**  trans-142.4143.3165-86.9-76.9000112.1
440R29.1Very low31.1Very low228 Ų228150.3 Ų150.386%0.8679%0.793SS**  trans-86.1161.8165.5-68.5173.5168154.4-7.4110
441V29.6Very low31.5Very low147 Ų147146.5 Ų146.589%0.89178%0.782SS**  trans-167.1158.5132.9136.30000109.4
442D30.5Very low31.5Very low137 Ų137152 Ų15273%0.73379%0.788SS**  trans-106.4159.4-164.3-87.6-68.9000116.2
443E31.1Very low31.3Very low138 Ų138151.7 Ų151.765%0.64579%0.786SS**  trans62.2139.5140.9-77.8-153.7116.100126.6
444K29.9Very low31Very low149 Ų149153.5 Ų153.565%0.64879%0.788SS**  trans80.2113.8135.1-79.7168.5174.41370123.3
445T30.8Very low31.1Very low118 Ų118153 Ų15372%0.72478%0.784SS**  trans75.1158.2134.764.60000119.4
446K31.6Very low31Very low188 Ų188154.8 Ų154.882%0.81779%0.785SS**  cis-153.5163.61.3-130.8158.8-169.6172.80113.4
447K32.5Very low30.7Very low179 Ų179156.9 Ų156.978%0.77879%0.786SS**  trans-47.2158.2174.6-50.8170.8177.7-178.20117.3
448Y30.7Very low31Very low221 Ų221154.2 Ų154.287%0.86778%0.784SS**  -176.9160.9115.8-96.6-75.7000107.6
449C27.2Very low30.9Very low119 Ų119154.2 Ų154.280%0.80478%0.784SS**  cis-137.4175.420.7-124.80000115.3
450N27.6Very low31.6Very low120 Ų120149.1 Ų149.164%0.64278%0.778SS**  trans-140.2153.4-179.7-152.78.5000107.9
451P41.9Very low31.4Very low116 Ų116143.9 Ų143.975%0.75378%0.776SS**  -147.3141.6100.834-15.8000114.2
452F27.5Very low31.3Very low179 Ų179140.1 Ų140.179%0.78577%0.766SS**  65.3111.775.4-105.7-80.9000116.7
453V29Very low31.1Very low138 Ų138140.7 Ų140.784%0.83677%0.768SS**  178.3148.1123.2149.30000111.6
454K29.5Very low31Very low200 Ų200145 Ų14587%0.8778%0.78SS**  trans-136.4168.4172.2-96.3-171.5179.1-177.10106.3
455P44Very low30.9Very low118 Ų118144.7 Ų144.777%0.76679%0.785SS**  cis-150.7-158.232.943.4-20.7000116.1
456S25.9Very low30.7Very low115 Ų115147.2 Ų147.280%0.80479%0.791SS**  trans118.2140143.586.80000120.3
457Q27.4Very low30.5Very low183 Ų183144.4 Ų144.486%0.85579%0.785SS**  trans-101.9-176163.8-63.6177.6-42.900107.9
458P35.5Very low30.3Very low122 Ų122142.6 Ų142.679%0.79279%0.789SS**  cis-133.4-161.81.840.7-19.8000114.7
459S28.6Very low30Very low104 Ų104136.1 Ų136.173%0.72778%0.781SS**  trans-84.3-172.4166.658.40000111.2
460P43.7Very low30Very low113 Ų113136.9 Ų136.973%0.73478%0.782SS**  cis-143.3-1637.738.1-13.7000116.8
461S25.8Very low29.9Very low118 Ų118135.7 Ų135.783%0.82578%0.783SS**  trans91.2150151.4-57.10000122
462G25.9Very low29.2Very low67 Ų67136.8 Ų136.869%0.69179%0.787SS**  trans93.9107.1175.200000113.6
463I27.2Very low29.2Very low150 Ų150133 Ų13377%0.76978%0.783SS**  cis63100.248.7-47177.7000113.4
464Y27.9Very low29.1Very low227 Ų227131.6 Ų131.689%0.8978%0.78SS**  -172.2153.4112-107.2-74.2000112.2
465N28.4Very low29Very low143 Ų143131.5 Ų131.577%0.76578%0.782SS**  trans-87.3156174.1-73.1-36.3000111.9
466M27.3Very low28.4Very low172 Ų172133.8 Ų133.885%0.84778%0.78SS**  trans-153.3147.8138-117.8-64.8105.300112.4
467N27.4Very low28.6Very low129 Ų129137.1 Ų137.169%0.6978%0.776SS**  trans-108.2134-176.8-61.4-50.9000111.1
468V27.1Very low28.7Very low141 Ų141135.4 Ų135.486%0.85577%0.772SS**  trans-146119.1148.3-173.70000106.1
469A25.2Very low28.3Very low84 Ų84136.9 Ų136.969%0.69477%0.772SS**  cis94.877.822.100000115.6
470T27Very low28.4Very low136 Ų136140.5 Ų140.583%0.83478%0.778SS**  trans-163.7156.315633.10000109.6
471S25.5Very low27.8Very low94 Ų94139.4 Ų139.466%0.65778%0.778SS**  176.5122.9-59.947.10000110.2
472V27.5Very low27.9Very low139 Ų139139.8 Ų139.884%0.84277%0.771SS**  trans66.2155.1161.5-176.70000114.1
473S26.5Very low28.1Very low100 Ų100145.3 Ų145.370%0.69978%0.776SS**  cis-128.7147.4-0.411.60000108.8
474S27.9Very low28.2Very low109 Ų109147.9 Ų147.976%0.76278%0.782SS**  71.7103.255.1-56.30000114.8
475E28.1Very low28.4Very low198 Ų198147.6 Ų147.693%0.92578%0.779SS**  trans-155.9160.6133.5-125.7172.5-156.700112.8
476K30.3Very low28.3Very low165 Ų165148.9 Ų148.972%0.71778%0.778SS**  trans-137.3152.8179-67176.8-178.3172.50107.9
477Y29.8Very low28.4Very low185 Ų185148.6 Ų148.673%0.72577%0.774SS**  163.3137.4106-101.6-69.3000115.6
478L29.5Very low28.4Very low148 Ų148151.5 Ų151.578%0.77578%0.777SS**  trans56.8168.3147.9-105.849.4000117.6
479L28.4Very low28.4Very low152 Ų152150.2 Ų150.280%0.79677%0.774SS**  cis-136.3-176.77.5-128.6-180000111.9
480Q29.9Very low29Very low181 Ų181156 Ų15685%0.84678%0.784SS**  trans-133.7131.9-165.9174.9-169.838.900111.2
481A31.2Very low29.1Very low89 Ų89153.6 Ų153.674%0.73678%0.778SS**  trans-155.6116.3174.800000117.6
482N27.4Very low29.5Very low127 Ų127157.3 Ų157.368%0.67979%0.79SS**  trans56.4112.4137.3-71.6-65.4000125.1
483K31.5Very low29.5Very low182 Ų182156.1 Ų156.179%0.79178%0.783SS**  48.3122.1120-59174-175.7170.20120.7
484K28.6Very low29.7Very low204 Ų204163.1 Ų163.189%0.88779%0.794SS**  -174.4151.194.3-98.5176.6-175.8178.40112.4
485R31.1Very low29.9Very low221 Ų221165 Ų16583%0.83480%0.795SS**  trans-70.2149.4163.1-79.5-175178.7172.5-0.4110
486K27.3Very low30Very low171 Ų171160.4 Ų160.474%0.74378%0.782SS**  trans-146.6111.7155-108.3176.7164.8-164.20108.8Y488K486-Y488 HydrophobicContact CB-CE2 4.24Å; K486-Y488 HydrophobicContact CD-CE2 3.87Å; K486-Y488 WeakPolarHBondContact CE-OH 3.35Å; K486-Y488 HydrophobicContact CG-CE2 3.96Å
487E28.3Very low29.9Very low165 Ų165161.9 Ų161.977%0.77179%0.792SS**  trans-90.1145166.2-67.1167.7136.700108.2
488Y28.7Very low29.9Very low191 Ų191159 Ų15975%0.74979%0.788SS**  trans-141.3149.4166.9-80.6-74.3000110.1K486K486-Y488 HydrophobicContact CB-CE2 4.24Å; K486-Y488 HydrophobicContact CD-CE2 3.87Å; K486-Y488 WeakPolarHBondContact CE-OH 3.35Å; K486-Y488 HydrophobicContact CG-CE2 3.96Å
489S26.7Very low29.9Very low114 Ų114159.2 Ų159.280%0.79779%0.79SS**  trans-82.2175.5-170.155.70000113.8
490K37Very low30Very low205 Ų205160.3 Ų160.389%0.89179%0.785SS**  trans-49.4141.7166.2-64177.6177.7178.90111.7
491A30.2Very low30Very low86 Ų86157.4 Ų157.471%0.71178%0.775SS**  trans-146.6133.3153.300000107.7V493A491-V493 PolarHBondContact O-N 2.63Å
492D33Very low30Very low171 Ų171161.8 Ų161.891%0.91478%0.78SS**  trans-76.7119175.7-75-66.7000110.1
493V29.1Very low30.1Very low115 Ų115163.3 Ų163.370%0.69779%0.787SS**  trans-102.194.3179.9-173.70000109.6A491 L495A491-V493 PolarHBondContact O-N 2.63Å; V493-L495 HydrophobicContact CG1-CD2 4.39Å; V493-L495 HydrophobicContact CG1-CG 4.12Å
494R30.6Very low30.2Very low247 Ų247160.5 Ų160.593%0.93279%0.788SS**  trans-66.8129.1156.2-81.8-179.5167.7169.8-5108.2
495L30.6Very low30.3Very low148 Ų148159.2 Ų159.278%0.77579%0.785SS**  trans-107.3147.2166.4-77.9168.7000109.3V493V493-L495 HydrophobicContact CG1-CD2 4.39Å; V493-L495 HydrophobicContact CG1-CG 4.12Å
496P31Very low30.4Very low102 Ų102157.3 Ų157.366%0.66279%0.79SS**  trans-73.7155.9-173.330.9-36.1000112.6L498P496-L498 PolarHBondContact O-N 2.97Å
497E28.8Very low30.4Very low196 Ų196160 Ų16092%0.91680%0.795SS**  trans-72121.1170.1-62.6-178.5151.200109.5
498L30.1Very low30.3Very low125 Ų125156.5 Ų156.565%0.65480%0.795SS**  trans-100.1107.3173.4-73.3172.6000109.2P496 Y500P496-L498 PolarHBondContact O-N 2.97Å; L498-Y500 HydrophobicContact CB-CD2 4.1Å; L498-Y500 HydrophobicContact CB-CE2 3.61Å; L498-Y500 HydrophobicContact CD1-CE2 4.29Å; L498-Y500 WeakPolarHBondContact O-CD2 3.42Å
499N29.5Very low30.2Very low151 Ų151155.5 Ų155.581%0.80780%0.802SS**  trans-78.9121175.5-169.45.2000109.7
500Y29.9Very low30.2Very low175 Ų175159.3 Ų159.369%0.68681%0.807SS**  trans-114.982.2-175-82.9-78.6000111.7L498L498-Y500 HydrophobicContact CB-CD2 4.1Å; L498-Y500 HydrophobicContact CB-CE2 3.61Å; L498-Y500 HydrophobicContact CD1-CE2 4.29Å; L498-Y500 WeakPolarHBondContact O-CD2 3.42Å
501N30.1Very low29.6Very low120 Ų120152.9 Ų152.964%0.64280%0.799SS**  trans-91.6151.4150.9-76.2-23.1000108.9
502H30.4Very low29.6Very low181 Ų181156.8 Ų156.884%0.83881%0.806SS**  trans72.3114.8179.1-43.8-73.8000116.7
503L29.6Very low29.2Very low160 Ų160152.5 Ų152.584%0.83879%0.794SS**  trans-146.2121.1159.1-108.9168.3000106.8
504P34.5Very low29.2Very low122 Ų122157.6 Ų157.679%0.79280%0.801SS**  trans-80.3158.9177.732.4-34.5000112.2
505E30.8Very low29Very low177 Ų177153.6 Ų153.683%0.82780%0.798SS**  trans-67.8146.2174.5-56.5180108.300112.4
506L31.8Very low28.8Very low181 Ų181151.7 Ų151.795%0.94880%0.797SS**  trans-140.7141.7152.5-86.7-179.6000110.6
507R27.6Very low28.6Very low227 Ų227158.5 Ų158.586%0.85781%0.81SS**  trans-99.3159.4179.8-66.2-178.1179.3179.80.2111.7
508A26.4Very low28.6Very low92 Ų92157.2 Ų157.276%0.7681%0.808SS**  trans62.3124.3152.800000119.2
509L27.8Very low28.5Very low171 Ų171159.1 Ų159.190%0.89582%0.817SS**  -150140.5102.5-134.181000110.1
510E24.9Very low28.4Very low194 Ų194161.6 Ų161.691%0.90782%0.821SS**  trans-92.9153.5168.8-64.3177103.800110
511G25.8Very low28.4Very low70 Ų70162.9 Ų162.972%0.72283%0.83SS**  trans165.5131.2166.400000118.2
512I28.4Very low28.2Very low168 Ų168166.2 Ų166.286%0.86284%0.842SS**  trans66.274.8146.9-43-177.5000117.6
513A26.5Very low28Very low80 Ų80165.5 Ų165.566%0.66184%0.844SS**  41.9124.7115.300000122.2
514R27.5Very low28Very low223 Ų223168 Ų16884%0.84285%0.848SS**  43.5114.3127.9-58.1175179.6146.9-1.2118.7
515N26.7Very low27.6Very low162 Ų162167.2 Ų167.287%0.86685%0.846SS**  -175.6135.596.6-93.7-43.6000112.4
516S26.2Very low27.4Very low109 Ų109166.8 Ų166.876%0.76285%0.848SS**  trans-100.7140.3171.4510000110.8
517R28.1Very low27.3Very low244 Ų244163.3 Ų163.392%0.92184%0.839SS**  trans-139.4131.1158.6-73.7-165.2175.8-175.6-0.2109.8
518L27.6Very low27.4Very low169 Ų169159.4 Ų159.489%0.88583%0.831SS**  trans-78.6150.3177.9-54.188.6000110.7
519I28.5Very low27.5Very low165 Ų165160.9 Ų160.985%0.84684%0.835SS**  trans-112.4120.1163.6-67.4178.6000107.3
520K26.8Very low27.6Very low203 Ų203162.3 Ų162.388%0.88383%0.829SS**  trans-63.2146.4170.6-71.2-178.6175.6-179.30109.4
521K29.8Very low27.9Very low203 Ų203160.8 Ų160.888%0.88383%0.825SS**  trans-119.1139165.9-158.2173-174179.80109.1
522E27.5Very low28.2Very low190 Ų190163.3 Ų163.389%0.88883%0.829SS**  trans-82.2152.3-169.4-61.3174.3124.700112.7
523N24.9Very low28.1Very low165 Ų165160.6 Ų160.688%0.88283%0.825SS**  trans-75.9147.4171.8-73-23.4000110.9
524K30.4Very low28.2Very low212 Ų212165.5 Ų165.592%0.92284%0.839SS**  trans-138.9133.2154.4-142.9169.9-172175.30109.2
525S25.6Very low28.2Very low107 Ų107159.2 Ų159.275%0.74884%0.835SS**  trans-99-172.9-167.851.50000112.8
526L26.8Very low28.3Very low167 Ų167156.4 Ų156.487%0.87483%0.834SS**  trans95.5131.5-172-57.7164.6000113.2
527S28.8Very low28.4Very low108 Ų108159.8 Ų159.876%0.75584%0.842SS**  cis-160.7160.3-1145.20000110.5
528E29.6Very low28.4Very low146 Ų146156.3 Ų156.368%0.68284%0.836SS**  trans-65.6152.7-172.2-55.9-174167.800116R530E528-R530 IonicContact OE1-NH2 2.91Å; E528-R530 IonicContact OE2-CZ 3.77Å; E528-R530 VanDerWaalsContact OE2-CZ 3.29Å; E528-R530 IonicContact OE2-NE 3.08Å; E528-R530 PolarHBondContact OE2-NE 2.93Å; E528-R530 IonicContact OE2-NH2 2.74Å; E528-R530 PolarHBondContact OE2-NH2 3.12Å
529S28.8Very low28.6Very low123 Ų123155.1 Ų155.186%0.8683%0.83SS**  trans-145.6150.3131.664.30000110.2
530R30.1Very low28.7Very low201 Ų201155.2 Ų155.276%0.75883%0.826SS**  trans-100.1152.3-167-58.8167.9-166.4175.30.8110.2E528E528-R530 IonicContact OE1-NH2 2.91Å; E528-R530 IonicContact OE2-CZ 3.77Å; E528-R530 VanDerWaalsContact OE2-CZ 3.29Å; E528-R530 IonicContact OE2-NE 3.08Å; E528-R530 PolarHBondContact OE2-NE 2.93Å; E528-R530 IonicContact OE2-NH2 2.74Å; E528-R530 PolarHBondContact OE2-NH2 3.12Å
531I32.1Very low28.8Very low162 Ų162150.5 Ų150.583%0.83183%0.825SS**  -173.1149.292.5-90.6165.6000107.7
532P30.9Very low28.9Very low122 Ų122145.8 Ų145.879%0.79282%0.818SS**  trans-90.4153.7-156.334.7-37.4000116.4
533S26.7Very low29Very low112 Ų112142.2 Ų142.278%0.78381%0.813SS**  trans-110134.916255.70000109.8A535S533-A535 PolarHBondContact O-N 3.03Å
534L28.7Very low29.3Very low183 Ų183142.5 Ų142.596%0.95881%0.813SS**  trans-70.4122.7-179-70.391000112.1
535A28.7Very low29.2Very low91 Ų91136.4 Ų136.475%0.75280%0.803SS**  trans-156.6133.1157.400000109.6S533S533-A535 PolarHBondContact O-N 3.03Å
536A27.9Very low29.4Very low103 Ų103138.9 Ų138.985%0.85181%0.806SS**  trans46.7113.3167.900000119.3
537I28.5Very low29.5Very low179 Ų179138.4 Ų138.492%0.91880%0.8SS**  trans-126.5113.1142.2-62.8179.8000107.7
538E27.1Very low29.6Very low172 Ų172142.2 Ų142.280%0.80481%0.806SS**  trans-148.1144.4153.6-169.9168.4-122.900108.6
539L32Very low29.5Very low143 Ų143139.2 Ų139.275%0.74981%0.814SS**  trans149106.6144.5-78.9179.6000112.2
540H31.4Very low29.6Very low168 Ų168138.8 Ų138.878%0.77882%0.818SS**  trans43.3126.2140.1-74.6-98.6000122.8
541A29.6Very low29.6Very low104 Ų104133.2 Ų133.286%0.8682%0.822SS**  -148.3160.4126.100000110.1
542S30.8Very low29.5Very low104 Ų104131 Ų13173%0.72782%0.822SS**  trans-115.5145.4-157.7-52.50000116.3
543S29.6Very low30.4Very low114 Ų114130.2 Ų130.280%0.79782%0.817SS**  trans67122.9146.9-163.50000120.7
544I30.6Very low30.6Very low172 Ų172132.3 Ų132.388%0.88282%0.818SS**  -164.8164115.8-99.1160.8000109.3
545A29.8Very low30.8Very low84 Ų84127.3 Ų127.369%0.69480%0.798SS**  trans-99.7177.4-15800000116.8
546L29.3Very low30.9Very low158 Ų158129.4 Ų129.483%0.82780%0.797SS**  trans109136.1149.2-75.6157.6000121.2
547Q28.5Very low31.2Very low158 Ų158131.3 Ų131.374%0.73879%0.793SS**  trans70.8108.1150.6-79.3170.5-43.600122.6
548Q31.3Very low31.5Very low188 Ų188127.8 Ų127.888%0.87978%0.784SS**  29.2122.9119.2-62.2177.3-9.700119.2
549G28Very low31.9Very low82 Ų82128.8 Ų128.885%0.84579%0.789SS**  trans-169.6132.6161.900000112
550A30.5Very low32Very low115 Ų115127.6 Ų127.695%0.9579%0.791SS**  trans-80.5159.7-179.200000112.7
551G28.9Very low32.1Very low83 Ų83126.3 Ų126.386%0.85679%0.79SS**  trans177.266.8179.100000116.9
552S30.8Very low32.6Very low117 Ų117129.4 Ų129.482%0.81879%0.791SS**  trans-117.4168.8151.764.40000107.5
553P49.5Very low33.7Very low105 Ų105130 Ų13068%0.68279%0.793SS**  cis-137.3-154.414.833.4-8.1000113.8
554L31.9Very low33.9Very low156 Ų156136.3 Ų136.382%0.81780%0.799SS**  trans80.3143.8166.5-53.7171000116.6
555S31.7Very low34.1Very low77 Ų77136.7 Ų136.754%0.53880%0.799SS.*  cis-165.4172.7-17.449.80000110.5
556D31Very low34.8Very low136 Ų136142 Ų14273%0.72781%0.809SS**  trans70.5144158.1-39.9-42000117.5
557D34Very low35.8Very low142 Ų142143.1 Ų143.176%0.75981%0.81SS**  cis-154.2161.9-8.3-139.2-27000113.3
558S34.4Very low36.6Very low105 Ų105144 Ų14473%0.73482%0.815SS**  trans44.9110.2157.667.80000121.7
559E36.8Very low37.5Very low193 Ų193146.4 Ų146.490%0.90283%0.825SS**  trans-89.6149.8140.5-75.5-173.9113.200110.6
560C33.6Very low37.9Very low119 Ų119149.6 Ų149.680%0.80482%0.824SS**  trans179.1153.3146.1-104.30000108.1
561D32.8Very low38.3Very low140 Ų140151.4 Ų151.475%0.74982%0.817SS**  cis-143.9146.525.9-102.3-46.2000113.4
562L39.8Very low38.8Very low170 Ų170155.2 Ų155.289%0.8982%0.815SS**  trans-154.1100.8157.2-109.6179.8000109.9
563P53.9Low39.3Very low117 Ų117157.5 Ų157.576%0.7682%0.815SS**PPolyproline II helixtrans-90.8132.5174.432.4-30.9000111.9
564R34.3Very low38.7Very low246 Ų246160.8 Ų160.893%0.92882%0.823SS**PPolyproline II helixtrans-93.1153169.2-164.2175.5-174.2176.10.6109.5
565M35.8Very low39.1Very low179 Ų179161.1 Ų161.188%0.88282%0.824SS**PPolyproline II helixtrans-61.8142.8178.3-56.8172.1100.600112.2
566E44.8Very low39.7Very low195 Ų195167.1 Ų167.191%0.91184%0.844SS**  trans-151.8158.2143.2-122.2160.5-136.800110.2
567H48.9Very low40.3Very low183 Ų183169.5 Ų169.585%0.84785%0.853SS**  trans-149.5147.1-172.8-122.2-9.4000109.3
568Q46.8Very low40.9Very low177 Ų177171.8 Ų171.883%0.82786%0.861SS**  trans72.4140.6-170.7-53.7172.2-5.900113
569H48.3Very low41.4Very low237 Ų237177.8 Ų177.8100%1.09787%0.872SS**  cis-135.3013.3-139.6-44.4000115

Retrieved 569 of 569 residues in 171.4 ms (Link to these results)

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