A0A087X2R2_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087X2R2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 265 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
1M43.4Very low75.5Confident221 Ų221115.5 Ų115.5100%1.08957%0.574SS**  0119.40-90.7160.962.600108.4L3M1-L3 PolarHBondContact O-N 3.25Å
2K46.7Very low77.1Confident196 Ų196115.6 Ų115.685%0.85257%0.574SS**  trans-68.9121.6169.3-71.3-176.6178.1-178.90107.2R4K2-R4 PolarHBondContact O-N 2.97Å
3L56.3Low78.4Confident150 Ų150106.7 Ų106.779%0.78553%0.53SS*.  trans-65.597.4175.5-158.185.7000107.5M1 L5M1-L3 PolarHBondContact O-N 3.25Å; L3-L5 HydrophobicContact CD2-CD2 3.89Å; L3-L5 HydrophobicContact CG-CD2 4.42Å
4R71.8Confident79.6Confident220 Ų220107.3 Ų107.383%0.8352%0.523SS*.  trans-87.6108.2171.8-74.4-169.6-178.8-161.51.4107.1K2K2-R4 PolarHBondContact O-N 2.97Å
5L81.5Confident80.7Confident97 Ų97106.7 Ų106.751%0.50852%0.523SS..  trans-71.5126.7172.9-60.5174.8000108.7L3 F65 T69L3-L5 HydrophobicContact CD2-CD2 3.89Å; L3-L5 HydrophobicContact CG-CD2 4.42Å; L5-F65 HydrophobicContact CD2-CZ 4.16Å; L5-T69 HydrophobicContact CD2-CG2 4.15Å
6H82.9Confident81.6Confident26 Ų26101.3 Ų101.312%0.1250%0.499CS..  trans-95.9122.3171.4-172.684.4000108.5T69 H111 N125H6-T69 WeakPolarHBondContact CB-O 3.3Å; H6-T69 PolarHBondContact N-O 3.38Å; H6-T69 WeakPolarHBondContact O-CA 3.48Å; H6-H111 AromaticContact CE1-CE1 4Å; H6-H111 AromaticContact CE1-NE2 3.22Å; H6-H111 PolarHBondContact CE1-NE2 3.01Å; H6-H111 AromaticContact NE2-NE2 3.57Å; H6-N125 PolarHBondContact CD2-OD1 3.26Å; H6-N125 VanDerWaalsContact CD2-OD1 3.25Å
7L86.1Confident82.4Confident111 Ų11197.2 Ų97.258%0.58148%0.479SS*.  trans-131.1134.4178.2-66.9174.7000109.4T69L7-T69 HydrophobicContact CD2-CG2 4.28Å
8V88.1Confident83.1Confident7 Ų795.9 Ų95.94%0.04248%0.481CS..  trans-106.7135.4179.8-176.40000109.6D10 W14 R108 C109 N124V8-D10 HydrophobicContact CG1-CB 4.13Å; V8-D10 PolarHBondContact O-N 3.49Å; V8-W14 PolarHBondContact O-NE1 3.17Å; V8-R108 WeakPolarHBondContact CG1-O 3.1Å; V8-C109 HydrophobicContact CG1-CB 4.49Å; V8-C109 HydrophobicContact CG2-CB 4.31Å; V8-N124 WeakPolarHBondContact CB-O 3.34Å; V8-N124 PolarHBondContact O-ND2 2.95Å
9V89.2Confident83.8Confident134 Ų13496.1 Ų96.181%0.81248%0.481SS*.  trans-90.475.6175.9-170.80000108.9
10D90.9Very high84.3Confident5 Ų592.6 Ų92.63%0.02747%0.465CS..  trans-119.9106.3175179.119.8000109V8 M12 G13 W14 R108 H119 N124V8-D10 HydrophobicContact CG1-CB 4.13Å; V8-D10 PolarHBondContact O-N 3.49Å; D10-M12 PolarHBondContact O-N 3.31Å; D10-G13 WeakPolarHBondContact O-CA 3.47Å; D10-G13 PolarHBondContact O-N 2.89Å; D10-W14 PolarHBondContact O-N 3.45Å; D10-R108 IonicContact OD1-CZ 3.56Å; D10-R108 IonicContact OD1-NH1 2.66Å; D10-R108 PolarHBondContact OD1-NH1 3.19Å; D10-H119 IonicContact OD2-CD2 3.96Å; D10-H119 IonicContact OD2-NE2 3.76Å; D10-H119 PolarHBondContact OD2-NE2 3.47Å; D10-N124 WeakPolarHBondContact CB-OD1 3.48Å
11P93.3Very high84.9Confident103 Ų10392.6 Ų92.667%0.66946%0.462SS*.Hα-helixtrans-55.5-37-176.7-2835.1000113.7W14 L15P11-W14 PolarHBondContact O-N 3.18Å; P11-L15 PolarHBondContact O-N 3.2Å; P11-L15 VanDerWaalsContact O-N 3.08Å
12M94.9Very high87.4Confident117 Ų11783.8 Ų83.858%0.57643%0.428SS*.Hα-helixtrans-68.1-38.4175.6-72.2-64.5179.700111.5D10 L15 C16D10-M12 PolarHBondContact O-N 3.31Å; M12-L15 PolarHBondContact O-N 2.81Å; M12-L15 HydrophobicContact SD-CD2 4.49Å; M12-C16 PolarHBondContact O-N 3.36Å; M12-C16 PolarHBondContact O-SG 2.86Å; M12-C16 VanDerWaalsContact O-SG 3.42Å
13G94Very high89.8Confident0 Ų076.4 Ų76.40%040%0.398CS..Hα-helixtrans-62.1-41.3173.900000112.6D10 C16 I17 P121D10-G13 WeakPolarHBondContact O-CA 3.47Å; D10-G13 PolarHBondContact O-N 2.89Å; G13-C16 PolarHBondContact O-N 2.94Å; G13-I17 PolarHBondContact O-N 3.37Å; G13-P121 WeakPolarHBondContact CA-O 3.22Å
14W94.7Very high91.7Very high115 Ų11571.4 Ų71.444%0.43637%0.369SS..Hα-helixtrans-64.3-39.1174.8-77.2110.1000113.2V8 D10 P11 S18 N124V8-W14 PolarHBondContact O-NE1 3.17Å; D10-W14 PolarHBondContact O-N 3.45Å; P11-W14 PolarHBondContact O-N 3.18Å; W14-S18 WeakPolarHBondContact O-CB 3.31Å; W14-S18 PolarHBondContact O-N 3.34Å; W14-S18 PolarHBondContact O-OG 2.89Å; W14-N124 PolarHBondContact NE1-ND2 2.65Å
15L96.2Very high92.9Very high99 Ų9965.1 Ų65.152%0.51835%0.351SS..Hα-helixtrans-60.7-48.4172.6179.163.9000111P11 M12 S18 M19P11-L15 PolarHBondContact O-N 3.2Å; P11-L15 VanDerWaalsContact O-N 3.08Å; M12-L15 PolarHBondContact O-N 2.81Å; M12-L15 HydrophobicContact SD-CD2 4.49Å; L15-S18 WeakPolarHBondContact O-CB 3.35Å; L15-S18 PolarHBondContact O-N 3.27Å; L15-M19 HydrophobicContact CG-SD 4.47Å; L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 3.44Å
16C96.1Very high93.6Very high20 Ų2062.3 Ų62.314%0.13533%0.334CS..Hα-helixtrans-61.5-45.1178.5-73.80000112.8M12 G13 S18 M19 V20 P121 W122M12-C16 PolarHBondContact O-N 3.36Å; M12-C16 PolarHBondContact O-SG 2.86Å; M12-C16 VanDerWaalsContact O-SG 3.42Å; G13-C16 PolarHBondContact O-N 2.94Å; C16-S18 VanDerWaalsContact C-N 3.3Å; C16-S18 PolarHBondContact O-N 3.12Å; C16-M19 PolarHBondContact O-N 3.41Å; C16-V20 WeakPolarHBondContact O-CG2 3.36Å; C16-V20 PolarHBondContact O-N 2.67Å; C16-P121 HydrophobicContact CB-CB 4.28Å; C16-P121 WeakPolarHBondContact CB-O 3.46Å; C16-W122 HydrophobicContact CB-CD2 4.24Å; C16-W122 HydrophobicContact CB-CE3 3.69Å; C16-W122 HydrophobicContact CB-CZ3 4.06Å
17I94.6Very high94.2Very high31 Ų3161.6 Ų61.616%0.15933%0.331CS..Hα-helixtrans-59.3-43.9174.7-77.2-174.5000110.9G13 M19 V20 F21 N124G13-I17 PolarHBondContact O-N 3.37Å; I17-M19 VanDerWaalsContact C-N 3.3Å; I17-M19 PolarHBondContact O-N 3.32Å; I17-V20 PolarHBondContact O-N 3.43Å; I17-F21 WeakPolarHBondContact O-CB 3.37Å; I17-F21 PolarHBondContact O-N 3.08Å; I17-N124 HydrophobicContact CD1-CB 3.3Å; I17-N124 HydrophobicContact CG1-CB 3.96Å
18S95.4Very high94.7Very high74 Ų7457.2 Ų57.252%0.51731%0.309SS..Hα-helixtrans-62-40.5-179.9-57.70000111.3W14 L15 C16 G22W14-S18 WeakPolarHBondContact O-CB 3.31Å; W14-S18 PolarHBondContact O-N 3.34Å; W14-S18 PolarHBondContact O-OG 2.89Å; L15-S18 WeakPolarHBondContact O-CB 3.35Å; L15-S18 PolarHBondContact O-N 3.27Å; C16-S18 VanDerWaalsContact C-N 3.3Å; C16-S18 PolarHBondContact O-N 3.12Å; S18-G22 PolarHBondContact O-N 3Å
19M95.8Very high95Very high99 Ų9962.1 Ų62.149%0.48833%0.33SS..Hα-helixtrans-63.3-47.3174.2-69.3177.368.300112.1L15 C16 I17 F21 G22 I23L15-M19 HydrophobicContact CG-SD 4.47Å; L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 3.44Å; C16-M19 PolarHBondContact O-N 3.41Å; I17-M19 VanDerWaalsContact C-N 3.3Å; I17-M19 PolarHBondContact O-N 3.32Å; M19-F21 VanDerWaalsContact C-N 3.33Å; M19-F21 PolarHBondContact O-N 3.31Å; M19-G22 PolarHBondContact O-N 3.13Å; M19-I23 WeakPolarHBondContact O-CG1 3.4Å; M19-I23 PolarHBondContact O-N 2.97Å
20V95Very high95.1Very high26 Ų2658.7 Ų58.716%0.15830%0.304CS..Hα-helixtrans-60.7-44.8178.6171.60000110.8C16 I17 G22 I23 W24 L64 W122C16-V20 WeakPolarHBondContact O-CG2 3.36Å; C16-V20 PolarHBondContact O-N 2.67Å; I17-V20 PolarHBondContact O-N 3.43Å; V20-G22 VanDerWaalsContact C-N 3.34Å; V20-G22 PolarHBondContact O-N 3.26Å; V20-I23 PolarHBondContact O-N 3.09Å; V20-W24 WeakPolarHBondContact O-CB 3.43Å; V20-W24 PolarHBondContact O-N 3.2Å; V20-L64 HydrophobicContact CG1-CD1 4.42Å; V20-L64 HydrophobicContact CG1-CD2 3.74Å; V20-W122 HydrophobicContact CG2-CE3 3.73Å; V20-W122 HydrophobicContact CG2-CZ3 4.34Å
21F95.8Very high95.2Very high93 Ų9358.6 Ų58.641%0.40830%0.303SS..Hα-helixtrans-63-40.5176.7-176.3-103.1000111.8I17 M19 W24 L25 L61I17-F21 WeakPolarHBondContact O-CB 3.37Å; I17-F21 PolarHBondContact O-N 3.08Å; M19-F21 VanDerWaalsContact C-N 3.33Å; M19-F21 PolarHBondContact O-N 3.31Å; F21-W24 AromaticContact CD2-CE3 3.78Å; F21-W24 HydrophobicContact CD2-CE3 3.78Å; F21-W24 HydrophobicContact CD2-CZ3 4.14Å; F21-W24 AromaticContact CE2-CE3 3.57Å; F21-W24 HydrophobicContact CE2-CE3 3.57Å; F21-W24 AromaticContact CE2-CZ3 3.43Å; F21-W24 HydrophobicContact CE2-CZ3 3.43Å; F21-W24 VanDerWaalsContact CE2-CZ3 3.43Å; F21-W24 HydrophobicContact CZ-CE3 4.25Å; F21-W24 AromaticContact CZ-CZ3 3.9Å; F21-W24 HydrophobicContact CZ-CZ3 3.9Å; F21-W24 PolarHBondContact O-N 3.33Å; F21-L25 HydrophobicContact CE1-CD2 4.34Å; F21-L25 VanDerWaalsContact O-CB 3.28Å; F21-L25 WeakPolarHBondContact O-CB 3.36Å; F21-L25 PolarHBondContact O-N 2.72Å; F21-L61 HydrophobicContact CD2-CD1 4.24Å; F21-L61 HydrophobicContact CE2-CD1 4.3Å
22G96.7Very high95.1Very high36 Ų3653.7 Ų53.737%0.37127%0.272SS..Hα-helixtrans-61.3-44.9174.700000113.1S18 M19 V20 L25 Y26S18-G22 PolarHBondContact O-N 3Å; M19-G22 PolarHBondContact O-N 3.13Å; V20-G22 VanDerWaalsContact C-N 3.34Å; V20-G22 PolarHBondContact O-N 3.26Å; G22-L25 PolarHBondContact O-N 2.97Å; G22-Y26 VanDerWaalsContact O-CB 3.28Å; G22-Y26 WeakPolarHBondContact O-CB 3.43Å; G22-Y26 PolarHBondContact O-N 3.08Å
23I95.7Very high95Very high42 Ų4253.9 Ų53.922%0.21527%0.269CS..Hα-helixtrans-62.8-45.2175.6-66.6166.3000110.5M19 V20 Y26 N27 M186 M190M19-I23 WeakPolarHBondContact O-CG1 3.4Å; M19-I23 PolarHBondContact O-N 2.97Å; V20-I23 PolarHBondContact O-N 3.09Å; I23-Y26 PolarHBondContact O-N 3.03Å; I23-N27 PolarHBondContact O-N 3.33Å; I23-N27 PolarHBondContact O-ND2 3.19Å; I23-M186 HydrophobicContact CG1-SD 4.49Å; I23-M186 HydrophobicContact CG2-SD 4.27Å; I23-M190 HydrophobicContact CD1-CE 4.47Å; I23-M190 HydrophobicContact CG2-CE 4.2Å
24W96.9Very high94.7Very high45 Ų4555 Ų5517%0.1728%0.275CS..Hα-helixtrans-60.6-46.3177.3169.880.5000111.7V20 F21 N27 T28 S57 L61V20-W24 WeakPolarHBondContact O-CB 3.43Å; V20-W24 PolarHBondContact O-N 3.2Å; F21-W24 AromaticContact CD2-CE3 3.78Å; F21-W24 HydrophobicContact CD2-CE3 3.78Å; F21-W24 HydrophobicContact CD2-CZ3 4.14Å; F21-W24 AromaticContact CE2-CE3 3.57Å; F21-W24 HydrophobicContact CE2-CE3 3.57Å; F21-W24 AromaticContact CE2-CZ3 3.43Å; F21-W24 HydrophobicContact CE2-CZ3 3.43Å; F21-W24 VanDerWaalsContact CE2-CZ3 3.43Å; F21-W24 HydrophobicContact CZ-CE3 4.25Å; F21-W24 AromaticContact CZ-CZ3 3.9Å; F21-W24 HydrophobicContact CZ-CZ3 3.9Å; F21-W24 PolarHBondContact O-N 3.33Å; W24-N27 PolarHBondContact O-N 2.87Å; W24-T28 HydrophobicContact CZ2-CG2 4.28Å; W24-T28 PolarHBondContact NE1-OG1 3.19Å; W24-T28 WeakPolarHBondContact O-CB 3.42Å; W24-T28 PolarHBondContact O-N 2.88Å; W24-T28 PolarHBondContact O-OG1 3.07Å; W24-S57 PolarHBondContact NE1-O 3.25Å; W24-S57 PolarHBondContact NE1-OG 3.42Å; W24-L61 HydrophobicContact CD2-CD1 4.26Å; W24-L61 HydrophobicContact CE3-CD1 4.32Å; W24-L61 HydrophobicContact CH2-CD2 3.68Å; W24-L61 HydrophobicContact CZ2-CB 4.09Å; W24-L61 HydrophobicContact CZ2-CD2 3.69Å; W24-L61 HydrophobicContact CZ2-CG 4.31Å; W24-L61 HydrophobicContact CZ3-CD1 4.49Å; W24-L61 HydrophobicContact CZ3-CD2 4.24Å
25L97Very high94.5Very high88 Ų8849.6 Ų49.646%0.46126%0.255SS..Hα-helixtrans-64.7-44.4179.7-177.863.8000111.3F21 G22 N27 T28 F29F21-L25 HydrophobicContact CE1-CD2 4.34Å; F21-L25 VanDerWaalsContact O-CB 3.28Å; F21-L25 WeakPolarHBondContact O-CB 3.36Å; F21-L25 PolarHBondContact O-N 2.72Å; G22-L25 PolarHBondContact O-N 2.97Å; L25-N27 PolarHBondContact O-N 3.32Å; L25-T28 PolarHBondContact O-N 2.72Å; L25-F29 WeakPolarHBondContact O-CB 3.39Å; L25-F29 PolarHBondContact O-N 3.07Å
26Y96.7Very high94.2Very high38 Ų3844.9 Ų44.915%0.14923%0.23CC..Hα-helixtrans-54.2-54.9175.2176.8-86.6000110.8G22 I23 T28 F29 F30 L179 V182 M186G22-Y26 VanDerWaalsContact O-CB 3.28Å; G22-Y26 WeakPolarHBondContact O-CB 3.43Å; G22-Y26 PolarHBondContact O-N 3.08Å; I23-Y26 PolarHBondContact O-N 3.03Å; Y26-T28 PolarHBondContact O-N 3.23Å; Y26-F29 PolarHBondContact O-N 3.34Å; Y26-F30 HydrophobicContact CD1-CD2 4.36Å; Y26-F30 AromaticContact CD2-CD2 3.37Å; Y26-F30 HydrophobicContact CD2-CD2 3.37Å; Y26-F30 AromaticContact CD2-CE2 3.56Å; Y26-F30 HydrophobicContact CD2-CE2 3.56Å; Y26-F30 HydrophobicContact CD2-CG 4.48Å; Y26-F30 HydrophobicContact CE1-CD2 4.44Å; Y26-F30 AromaticContact CE2-CD2 3.48Å; Y26-F30 HydrophobicContact CE2-CD2 3.48Å; Y26-F30 VanDerWaalsContact CE2-CD2 3.48Å; Y26-F30 AromaticContact CE2-CE2 3.74Å; Y26-F30 HydrophobicContact CE2-CE2 3.74Å; Y26-F30 HydrophobicContact CE2-CG 4.26Å; Y26-F30 AromaticContact CG-CD2 3.84Å; Y26-F30 HydrophobicContact CG-CD2 3.84Å; Y26-F30 HydrophobicContact CG-CE2 4.37Å; Y26-F30 WeakPolarHBondContact O-CB 3.3Å; Y26-F30 VanDerWaalsContact O-CD2 3.29Å; Y26-F30 WeakPolarHBondContact O-CD2 3.2Å; Y26-F30 PolarHBondContact O-N 3.3Å; Y26-L179 HydrophobicContact CE2-CD2 4.02Å; Y26-L179 VanDerWaalsContact OH-CA 3.29Å; Y26-L179 WeakPolarHBondContact OH-CA 3.17Å; Y26-L179 WeakPolarHBondContact OH-CD2 3.42Å; Y26-L179 PolarHBondContact OH-O 3.04Å; Y26-V182 HydrophobicContact CE1-CG1 4.34Å; Y26-M186 HydrophobicContact CD1-SD 3.89Å; Y26-M186 HydrophobicContact CE1-SD 4.19Å; Y26-M186 HydrophobicContact CG-SD 4.47Å
27N95.3Very high94Very high11 Ų1147.1 Ų47.16%0.05924%0.24CC..Hα-helixtrans-66.2-42.8-177.3-77.4-86000111.7I23 W24 L25 F29 V31 P32 Y53 S183I23-N27 PolarHBondContact O-N 3.33Å; I23-N27 PolarHBondContact O-ND2 3.19Å; W24-N27 PolarHBondContact O-N 2.87Å; L25-N27 PolarHBondContact O-N 3.32Å; N27-F29 PolarHBondContact O-N 3.25Å; N27-V31 HydrophobicContact CB-CG2 4.43Å; N27-V31 WeakPolarHBondContact O-CB 3.41Å; N27-V31 PolarHBondContact O-N 2.89Å; N27-V31 VanDerWaalsContact O-N 3.14Å; N27-P32 VanDerWaalsContact O-CD 3.3Å; N27-P32 WeakPolarHBondContact O-CD 3.32Å; N27-Y53 PolarHBondContact O-OH 3.04Å; N27-S183 PolarHBondContact OD1-OG 2.93Å
28T95.6Very high93.8Very high18 Ų1847 Ų4711%0.1124%0.242CC..Hα-helixtrans-63.3-27.3-179.7-59.60000112.7W24 L25 Y26 P32 Y54 S57W24-T28 HydrophobicContact CZ2-CG2 4.28Å; W24-T28 PolarHBondContact NE1-OG1 3.19Å; W24-T28 WeakPolarHBondContact O-CB 3.42Å; W24-T28 PolarHBondContact O-N 2.88Å; W24-T28 PolarHBondContact O-OG1 3.07Å; L25-T28 PolarHBondContact O-N 2.72Å; Y26-T28 PolarHBondContact O-N 3.23Å; T28-P32 WeakPolarHBondContact O-CD 3.46Å; T28-P32 VanDerWaalsContact O-CG 3.27Å; T28-P32 WeakPolarHBondContact O-CG 3.27Å; T28-Y54 HydrophobicContact CG2-CD1 4.33Å; T28-Y54 HydrophobicContact CG2-CE1 4.15Å; T28-S57 PolarHBondContact OG1-OG 3.18Å
29F94.8Very high93.5Very high111 Ų11143.7 Ų43.749%0.48722%0.218SC..Hα-helixtrans-93.5-52.2178.3-175.4-99.8000112.9L25 Y26 N27 K33L25-F29 WeakPolarHBondContact O-CB 3.39Å; L25-F29 PolarHBondContact O-N 3.07Å; Y26-F29 PolarHBondContact O-N 3.34Å; N27-F29 PolarHBondContact O-N 3.25Å; F29-K33 HydrophobicContact CE1-CD 4.12Å; F29-K33 HydrophobicContact CZ-CD 4.21Å; F29-K33 VanDerWaalsContact O-CB 3.3Å; F29-K33 WeakPolarHBondContact O-CB 3.3Å; F29-K33 PolarHBondContact O-N 3.46Å
30F92.3Very high93.3Very high62 Ų6243.9 Ų43.927%0.27221%0.214SC..Hα-helixtrans-77.2-40.4-170.5-72-71000113Y26 K33 L34 L179Y26-F30 HydrophobicContact CD1-CD2 4.36Å; Y26-F30 AromaticContact CD2-CD2 3.37Å; Y26-F30 HydrophobicContact CD2-CD2 3.37Å; Y26-F30 AromaticContact CD2-CE2 3.56Å; Y26-F30 HydrophobicContact CD2-CE2 3.56Å; Y26-F30 HydrophobicContact CD2-CG 4.48Å; Y26-F30 HydrophobicContact CE1-CD2 4.44Å; Y26-F30 AromaticContact CE2-CD2 3.48Å; Y26-F30 HydrophobicContact CE2-CD2 3.48Å; Y26-F30 VanDerWaalsContact CE2-CD2 3.48Å; Y26-F30 AromaticContact CE2-CE2 3.74Å; Y26-F30 HydrophobicContact CE2-CE2 3.74Å; Y26-F30 HydrophobicContact CE2-CG 4.26Å; Y26-F30 AromaticContact CG-CD2 3.84Å; Y26-F30 HydrophobicContact CG-CD2 3.84Å; Y26-F30 HydrophobicContact CG-CE2 4.37Å; Y26-F30 WeakPolarHBondContact O-CB 3.3Å; Y26-F30 VanDerWaalsContact O-CD2 3.29Å; Y26-F30 WeakPolarHBondContact O-CD2 3.2Å; Y26-F30 PolarHBondContact O-N 3.3Å; F30-K33 PolarHBondContact O-N 3.23Å; F30-L34 HydrophobicContact CB-CD1 4.4Å; F30-L34 VanDerWaalsContact O-CB 3.3Å; F30-L34 WeakPolarHBondContact O-CB 3.38Å; F30-L34 VanDerWaalsContact O-CG 3.28Å; F30-L34 WeakPolarHBondContact O-CG 3.45Å; F30-L34 PolarHBondContact O-N 3.44Å; F30-L179 HydrophobicContact CD1-CD1 4.05Å; F30-L179 HydrophobicContact CE1-CD1 4.1Å
31V91.8Very high93Very high2 Ų248.6 Ų48.61%0.01224%0.239CC..Hα-helixtrans-63.9-46.6-178.2176.10000110.9N27 K33 V35 L36 Y53 T149 L152 S183N27-V31 HydrophobicContact CB-CG2 4.43Å; N27-V31 WeakPolarHBondContact O-CB 3.41Å; N27-V31 PolarHBondContact O-N 2.89Å; N27-V31 VanDerWaalsContact O-N 3.14Å; V31-K33 PolarHBondContact O-N 2.9Å; V31-V35 WeakPolarHBondContact O-CB 3.45Å; V31-V35 PolarHBondContact O-N 2.95Å; V31-L36 PolarHBondContact O-N 2.88Å; V31-Y53 HydrophobicContact CG1-CE2 4.12Å; V31-T149 HydrophobicContact CG1-CG2 4.46Å; V31-T149 HydrophobicContact CG2-CG2 3.74Å; V31-L152 HydrophobicContact CG1-CB 4.41Å; V31-L152 HydrophobicContact CG1-CD1 3.84Å; V31-S183 WeakPolarHBondContact CG2-OG 3.35Å
32P92.8Very high92.7Very high0 Ų048.7 Ų48.70%024%0.24CC..Iπ-helixtrans-63.3-41.8174.8-26.837.6000113.5N27 T28 L36 L37 Y53 Y54N27-P32 VanDerWaalsContact O-CD 3.3Å; N27-P32 WeakPolarHBondContact O-CD 3.32Å; T28-P32 WeakPolarHBondContact O-CD 3.46Å; T28-P32 VanDerWaalsContact O-CG 3.27Å; T28-P32 WeakPolarHBondContact O-CG 3.27Å; P32-L36 HydrophobicContact CB-CB 4.45Å; P32-L36 HydrophobicContact CB-CD1 4.28Å; P32-L36 HydrophobicContact CG-CD1 4.22Å; P32-L36 PolarHBondContact O-N 2.89Å; P32-L37 WeakPolarHBondContact O-CB 3.3Å; P32-L37 WeakPolarHBondContact O-CG 3.25Å; P32-L37 PolarHBondContact O-N 3.38Å; P32-Y53 HydrophobicContact CG-CD1 3.75Å; P32-Y53 HydrophobicContact CG-CE1 3.49Å; P32-Y53 VanDerWaalsContact CG-CE1 3.49Å; P32-Y54 HydrophobicContact CB-CE2 4.33Å; P32-Y54 VanDerWaalsContact CB-OH 3.31Å; P32-Y54 WeakPolarHBondContact CB-OH 3.42Å; P32-Y54 HydrophobicContact CG-CE1 4.13Å; P32-Y54 HydrophobicContact CG-CE2 4.46Å
33K91.5Very high92.4Very high121 Ų12149.9 Ų49.953%0.52625%0.252SS..Iπ-helixtrans-66.6-38.6-177.8-175.7177.2178.3-178.80112.9F29 F30 V31 P38F29-K33 HydrophobicContact CE1-CD 4.12Å; F29-K33 HydrophobicContact CZ-CD 4.21Å; F29-K33 VanDerWaalsContact O-CB 3.3Å; F29-K33 WeakPolarHBondContact O-CB 3.3Å; F29-K33 PolarHBondContact O-N 3.46Å; F30-K33 PolarHBondContact O-N 3.23Å; V31-K33 PolarHBondContact O-N 2.9Å; K33-P38 WeakPolarHBondContact O-CD 3.49Å; K33-P38 WeakPolarHBondContact O-CG 3.35Å
34L88.7Confident92Very high25 Ų2553.4 Ų53.413%0.13127%0.268CS..Iπ-helixtrans-90.2-26.1-174.9-63.4179.6000113.3F30 E176 L179 L180F30-L34 HydrophobicContact CB-CD1 4.4Å; F30-L34 VanDerWaalsContact O-CB 3.3Å; F30-L34 WeakPolarHBondContact O-CB 3.38Å; F30-L34 VanDerWaalsContact O-CG 3.28Å; F30-L34 WeakPolarHBondContact O-CG 3.45Å; F30-L34 PolarHBondContact O-N 3.44Å; L34-E176 HydrophobicContact CD2-CB 4.44Å; L34-E176 HydrophobicContact CD2-CG 3.9Å; L34-L179 HydrophobicContact CD1-CB 3.86Å; L34-L179 HydrophobicContact CD1-CD1 4.07Å; L34-L180 HydrophobicContact CB-CD2 4.43Å; L34-L180 HydrophobicContact CD1-CG 4.49Å
35V89.3Confident91.7Very high1 Ų152.4 Ų52.41%0.00627%0.265CS..Iπ-helixtrans-121.8-61-172.6-172.80000111.8V31 H39 L152 Q156 L180V31-V35 WeakPolarHBondContact O-CB 3.45Å; V31-V35 PolarHBondContact O-N 2.95Å; V35-H39 WeakPolarHBondContact O-CB 3.37Å; V35-H39 PolarHBondContact O-CD2 3.39Å; V35-H39 PolarHBondContact O-N 2.89Å; V35-L152 HydrophobicContact CG1-CB 4.19Å; V35-L152 HydrophobicContact CG1-CD2 4.46Å; V35-Q156 HydrophobicContact CG1-CB 4.18Å; V35-Q156 HydrophobicContact CG2-CB 4.11Å; V35-Q156 HydrophobicContact CG2-CG 4.02Å; V35-L180 HydrophobicContact CG2-CD2 3.67Å
36L91.2Very high91.6Very high0 Ų052.1 Ų52.10%027%0.269CS..Iπ-helixtrans-70-51.9-169.3-69.8165.6000113.4V31 P32 H39 Y40 I45 L49 V50 Y53 L152V31-L36 PolarHBondContact O-N 2.88Å; P32-L36 HydrophobicContact CB-CB 4.45Å; P32-L36 HydrophobicContact CB-CD1 4.28Å; P32-L36 HydrophobicContact CG-CD1 4.22Å; P32-L36 PolarHBondContact O-N 2.89Å; L36-H39 PolarHBondContact O-N 3.4Å; L36-Y40 VanDerWaalsContact O-CB 3.3Å; L36-Y40 WeakPolarHBondContact O-CB 2.98Å; L36-Y40 PolarHBondContact O-N 2.86Å; L36-I45 HydrophobicContact CB-CD1 4.32Å; L36-I45 HydrophobicContact CD2-CD1 3.61Å; L36-I45 WeakPolarHBondContact O-CD1 3.28Å; L36-L49 HydrophobicContact CD2-CD2 4.13Å; L36-L49 HydrophobicContact CD2-CG 4.24Å; L36-V50 HydrophobicContact CB-CG2 4.29Å; L36-Y53 HydrophobicContact CD1-CD1 3.83Å; L36-Y53 HydrophobicContact CD1-CD2 3.97Å; L36-Y53 HydrophobicContact CD1-CG 3.51Å; L36-L152 HydrophobicContact CD1-CD1 3.93Å; L36-L152 HydrophobicContact CD2-CD1 3.86Å; L36-L152 HydrophobicContact CD2-CD2 3.7Å; L36-L152 HydrophobicContact CD2-CG 4.46Å; L36-L152 HydrophobicContact CG-CD1 3.87Å; L36-L152 HydrophobicContact CG-CD2 4.41Å
37L91.8Very high91.5Very high66 Ų6658.3 Ų58.335%0.34629%0.292SS..Hα-helixtrans-64.7-46.7-174.3-63.7175.4000112.1P32 H39 Y40 D41 V50P32-L37 WeakPolarHBondContact O-CB 3.3Å; P32-L37 WeakPolarHBondContact O-CG 3.25Å; P32-L37 PolarHBondContact O-N 3.38Å; L37-H39 VanDerWaalsContact C-N 3.34Å; L37-H39 PolarHBondContact O-N 3.5Å; L37-Y40 PolarHBondContact O-N 3.41Å; L37-D41 VanDerWaalsContact O-CG 3.24Å; L37-D41 PolarHBondContact O-N 2.9Å; L37-V50 HydrophobicContact CD2-CG1 4.15Å
38P90.4Very high91.6Very high30 Ų3059.8 Ų59.820%0.19531%0.306CS..Hα-helixtrans-57.9-45176.3-2535.4000112.8K33 Y40 D41 E42 L163K33-P38 WeakPolarHBondContact O-CD 3.49Å; K33-P38 WeakPolarHBondContact O-CG 3.35Å; P38-Y40 VanDerWaalsContact C-N 3.32Å; P38-Y40 PolarHBondContact O-N 3.38Å; P38-D41 PolarHBondContact O-N 3.37Å; P38-E42 WeakPolarHBondContact O-CB 3.47Å; P38-E42 WeakPolarHBondContact O-CG 3.27Å; P38-E42 PolarHBondContact O-N 3.06Å; P38-L163 HydrophobicContact CB-CD1 4.3Å
39H87.8Confident91.5Very high3 Ų361.5 Ų61.51%0.01431%0.314CS..Hα-helixtrans-74.3-22.7179.9-72.5-43.2000114.2V35 L36 L37 E42 G43 H44 I45 Q156 F160V35-H39 WeakPolarHBondContact O-CB 3.37Å; V35-H39 PolarHBondContact O-CD2 3.39Å; V35-H39 PolarHBondContact O-N 2.89Å; L36-H39 PolarHBondContact O-N 3.4Å; L37-H39 VanDerWaalsContact C-N 3.34Å; L37-H39 PolarHBondContact O-N 3.5Å; H39-E42 IonicContact CE1-OE2 3.84Å; H39-E42 IonicContact ND1-OE2 3.76Å; H39-E42 PolarHBondContact ND1-OE2 2.98Å; H39-G43 PolarHBondContact O-N 3.36Å; H39-H44 HydrophobicContact CB-CB 4.23Å; H39-H44 AromaticContact ND1-ND1 3.31Å; H39-H44 PolarHBondContact ND1-ND1 3.42Å; H39-H44 PolarHBondContact O-N 3.44Å; H39-I45 HydrophobicContact CB-CD1 4.28Å; H39-I45 HydrophobicContact CB-CG1 4Å; H39-I45 HydrophobicContact CB-CG2 4.4Å; H39-I45 PolarHBondContact O-N 3.04Å; H39-Q156 PolarHBondContact CD2-OE1 3.15Å; H39-Q156 PolarHBondContact NE2-OE1 2.94Å; H39-F160 AromaticContact CD2-CD2 3.35Å; H39-F160 WeakPolarHBondContact CD2-CD2 3.15Å; H39-F160 AromaticContact CD2-CE2 3.53Å; H39-F160 AromaticContact CD2-CG 3.71Å; H39-F160 AromaticContact CE1-CD1 3.67Å; H39-F160 AromaticContact CE1-CD2 3.9Å; H39-F160 AromaticContact CE1-CG 3.43Å; H39-F160 VanDerWaalsContact CE1-CG 3.43Å; H39-F160 WeakPolarHBondContact CE1-CG 3.13Å; H39-F160 VanDerWaalsContact NE2-CB 3.35Å; H39-F160 WeakPolarHBondContact NE2-CB 3.35Å; H39-F160 AromaticContact NE2-CD1 3.77Å; H39-F160 AromaticContact NE2-CD2 3.15Å; H39-F160 WeakPolarHBondContact NE2-CD2 3.22Å; H39-F160 AromaticContact NE2-CE2 3.85Å; H39-F160 AromaticContact NE2-CG 3.13Å; H39-F160 WeakPolarHBondContact NE2-CG 3.04Å
40Y91.6Very high91.6Very high103 Ų10357 Ų5740%0.40430%0.295SS..Hα-helixtrans-70.9-46.9168.5167.4-112000110.9L36 L37 P38 E42 G43 W47 V50L36-Y40 VanDerWaalsContact O-CB 3.3Å; L36-Y40 WeakPolarHBondContact O-CB 2.98Å; L36-Y40 PolarHBondContact O-N 2.86Å; L37-Y40 PolarHBondContact O-N 3.41Å; P38-Y40 VanDerWaalsContact C-N 3.32Å; P38-Y40 PolarHBondContact O-N 3.38Å; Y40-E42 VanDerWaalsContact C-N 3.28Å; Y40-E42 PolarHBondContact O-N 2.7Å; Y40-G43 WeakPolarHBondContact O-CA 3.28Å; Y40-G43 PolarHBondContact O-N 3.49Å; Y40-W47 HydrophobicContact CD2-CB 4.1Å; Y40-W47 HydrophobicContact CE2-CB 3.52Å; Y40-V50 HydrophobicContact CG-CG2 4.35Å
41D90.3Very high91.8Very high126 Ų12657.7 Ų57.767%0.67431%0.305SS*.Hα-helixtrans-63.9-34.2-179.8-66.9-21.8000111.8L37 P38 G43L37-D41 VanDerWaalsContact O-CG 3.24Å; L37-D41 PolarHBondContact O-N 2.9Å; P38-D41 PolarHBondContact O-N 3.37Å; D41-G43 VanDerWaalsContact C-N 3.28Å; D41-G43 PolarHBondContact O-N 2.99Å
42E88.7Confident92Very high94 Ų9460.8 Ų60.844%0.43933%0.325SS..THydrogen-bonded Turntrans-76.9-9.1172.3-69.9179163.100114P38 H39 Y40 H44 L163P38-E42 WeakPolarHBondContact O-CB 3.47Å; P38-E42 WeakPolarHBondContact O-CG 3.27Å; P38-E42 PolarHBondContact O-N 3.06Å; H39-E42 IonicContact CE1-OE2 3.84Å; H39-E42 IonicContact ND1-OE2 3.76Å; H39-E42 PolarHBondContact ND1-OE2 2.98Å; Y40-E42 VanDerWaalsContact C-N 3.28Å; Y40-E42 PolarHBondContact O-N 2.7Å; E42-H44 IonicContact OE2-CE1 3.94Å; E42-H44 PolarHBondContact OE2-CE1 3.39Å; E42-H44 IonicContact OE2-ND1 2.65Å; E42-H44 PolarHBondContact OE2-ND1 3.14Å; E42-L163 WeakPolarHBondContact OE1-CD2 3.49Å
43G89.6Confident92.2Very high61 Ų6160.8 Ų60.863%0.62933%0.325SS*.THydrogen-bonded Turntrans7812.9179.800000115.3H39 Y40 D41H39-G43 PolarHBondContact O-N 3.36Å; Y40-G43 WeakPolarHBondContact O-CA 3.28Å; Y40-G43 PolarHBondContact O-N 3.49Å; D41-G43 VanDerWaalsContact C-N 3.28Å; D41-G43 PolarHBondContact O-N 2.99Å
44H88.6Confident92.5Very high117 Ų11759.5 Ų59.554%0.54232%0.318SS..SBendtrans-74.5-29176.9-63.1154.2000113.1H39 E42 F160H39-H44 HydrophobicContact CB-CB 4.23Å; H39-H44 AromaticContact ND1-ND1 3.31Å; H39-H44 PolarHBondContact ND1-ND1 3.42Å; H39-H44 PolarHBondContact O-N 3.44Å; E42-H44 IonicContact OE2-CE1 3.94Å; E42-H44 PolarHBondContact OE2-CE1 3.39Å; E42-H44 IonicContact OE2-ND1 2.65Å; E42-H44 PolarHBondContact OE2-ND1 3.14Å; H44-F160 HydrophobicContact CB-CE1 4.34Å
45I90.6Very high92.9Very high23 Ų2363 Ų6312%0.11834%0.336CS..SBendtrans-127.3148.9178.864.3165.3000112L36 H39 L49 V50 F160L36-I45 HydrophobicContact CB-CD1 4.32Å; L36-I45 HydrophobicContact CD2-CD1 3.61Å; L36-I45 WeakPolarHBondContact O-CD1 3.28Å; H39-I45 HydrophobicContact CB-CD1 4.28Å; H39-I45 HydrophobicContact CB-CG1 4Å; H39-I45 HydrophobicContact CB-CG2 4.4Å; H39-I45 PolarHBondContact O-N 3.04Å; I45-L49 HydrophobicContact CB-CD2 4.21Å; I45-L49 HydrophobicContact CD1-CD2 4.03Å; I45-L49 HydrophobicContact CG2-CD2 4.24Å; I45-V50 HydrophobicContact CD1-CG2 4.39Å; I45-F160 HydrophobicContact CG2-CZ 4.29Å
46P95Very high93.2Very high83 Ų8363.5 Ų63.554%0.53934%0.34SS..  trans-74.914917730.7-35000111.8A48 L49P46-A48 PolarHBondContact O-N 3.46Å; P46-A48 VanDerWaalsContact O-N 3.07Å; P46-L49 HydrophobicContact CG-CB 4.43Å; P46-L49 WeakPolarHBondContact O-CB 3.28Å; P46-L49 PolarHBondContact O-N 3.41Å
47W94.4Very high93.5Very high168 Ų16863.6 Ų63.664%0.63634%0.341SS*.Hα-helixtrans-54.3-29.9174.268.2-93.3000113.1Y40 L49 V50 V51Y40-W47 HydrophobicContact CD2-CB 4.1Å; Y40-W47 HydrophobicContact CE2-CB 3.52Å; W47-L49 PolarHBondContact O-N 2.83Å; W47-V50 WeakPolarHBondContact O-CB 3.21Å; W47-V50 PolarHBondContact O-N 2.74Å; W47-V50 VanDerWaalsContact O-N 3.13Å; W47-V51 HydrophobicContact CE3-CB 4.38Å; W47-V51 HydrophobicContact CE3-CG2 3.65Å; W47-V51 HydrophobicContact CZ3-CB 4.36Å; W47-V51 HydrophobicContact CZ3-CG2 3.83Å; W47-V51 PolarHBondContact O-N 3.22Å; W47-V51 VanDerWaalsContact O-N 3.08Å
48A96.4Very high93.8Very high41 Ų4163 Ų6334%0.33935%0.346SS..Hα-helixtrans-57.6-34.4177.200000112.2P46 V51 C52P46-A48 PolarHBondContact O-N 3.46Å; P46-A48 VanDerWaalsContact O-N 3.07Å; A48-V51 PolarHBondContact O-N 2.92Å; A48-C52 WeakPolarHBondContact O-CB 3.49Å; A48-C52 PolarHBondContact O-N 2.88Å; A48-C52 PolarHBondContact O-SG 3.42Å
49L95Very high94Very high55 Ų5563.4 Ų63.429%0.28835%0.346SS..Hα-helixtrans-67.7-40.1178.2-167.268.2000111.5L36 I45 P46 W47 C52 Y53 F148 L152L36-L49 HydrophobicContact CD2-CD2 4.13Å; L36-L49 HydrophobicContact CD2-CG 4.24Å; I45-L49 HydrophobicContact CB-CD2 4.21Å; I45-L49 HydrophobicContact CD1-CD2 4.03Å; I45-L49 HydrophobicContact CG2-CD2 4.24Å; P46-L49 HydrophobicContact CG-CB 4.43Å; P46-L49 WeakPolarHBondContact O-CB 3.28Å; P46-L49 PolarHBondContact O-N 3.41Å; W47-L49 PolarHBondContact O-N 2.83Å; L49-C52 PolarHBondContact O-N 3.15Å; L49-Y53 PolarHBondContact O-N 2.99Å; L49-F148 HydrophobicContact CD1-CE2 3.77Å; L49-F148 HydrophobicContact CD1-CZ 3.5Å; L49-F148 HydrophobicContact CG-CE2 4.12Å; L49-F148 HydrophobicContact CG-CZ 3.93Å; L49-L152 HydrophobicContact CD2-CD2 4.42Å
50V95.5Very high94.4Very high15 Ų1563.8 Ų63.89%0.09135%0.349CS..Hα-helixtrans-62-46.5175.7-172.90000110.4L36 L37 Y40 I45 W47 Y53 Y54L36-V50 HydrophobicContact CB-CG2 4.29Å; L37-V50 HydrophobicContact CD2-CG1 4.15Å; Y40-V50 HydrophobicContact CG-CG2 4.35Å; I45-V50 HydrophobicContact CD1-CG2 4.39Å; W47-V50 WeakPolarHBondContact O-CB 3.21Å; W47-V50 PolarHBondContact O-N 2.74Å; W47-V50 VanDerWaalsContact O-N 3.13Å; V50-Y53 PolarHBondContact O-N 2.88Å; V50-Y54 HydrophobicContact CG1-CD2 3.98Å; V50-Y54 HydrophobicContact CG1-CE2 3.83Å; V50-Y54 WeakPolarHBondContact O-CD2 3.29Å; V50-Y54 PolarHBondContact O-N 3.5Å; V50-Y54 VanDerWaalsContact O-N 3.12Å
51V96.8Very high94.7Very high78 Ų7861.6 Ų61.647%0.47334%0.344SS..Hα-helixtrans-63.8-43.2177.3172.10000111.4W47 A48 Y53 Y54 L55W47-V51 HydrophobicContact CE3-CB 4.38Å; W47-V51 HydrophobicContact CE3-CG2 3.65Å; W47-V51 HydrophobicContact CZ3-CB 4.36Å; W47-V51 HydrophobicContact CZ3-CG2 3.83Å; W47-V51 PolarHBondContact O-N 3.22Å; W47-V51 VanDerWaalsContact O-N 3.08Å; A48-V51 PolarHBondContact O-N 2.92Å; V51-Y53 VanDerWaalsContact C-N 3.29Å; V51-Y53 PolarHBondContact O-N 3.42Å; V51-Y54 PolarHBondContact O-N 2.9Å; V51-L55 VanDerWaalsContact O-CB 3.27Å; V51-L55 WeakPolarHBondContact O-CB 3.4Å; V51-L55 PolarHBondContact O-N 3.45Å
52C96.9Very high94.9Very high66 Ų6659.2 Ų59.245%0.44633%0.33SS..Hα-helixtrans-59.3-39.7175.6-76.20000112.2A48 L49 L55 A56 F148A48-C52 WeakPolarHBondContact O-CB 3.49Å; A48-C52 PolarHBondContact O-N 2.88Å; A48-C52 PolarHBondContact O-SG 3.42Å; L49-C52 PolarHBondContact O-N 3.15Å; C52-L55 PolarHBondContact O-N 3.4Å; C52-A56 WeakPolarHBondContact O-CB 3.43Å; C52-A56 PolarHBondContact O-N 2.84Å; C52-F148 HydrophobicContact CB-CE1 4.11Å; C52-F148 HydrophobicContact CB-CZ 4.46Å
53Y97.2Very high95.2Very high0 Ų054.9 Ų54.90%031%0.31CS..Hα-helixtrans-64.1-51.1177.4-176.4-90000111.8N27 V31 P32 L36 L49 V50 V51 L55 A56 S57 L145 F148 T149 L152N27-Y53 PolarHBondContact O-OH 3.04Å; V31-Y53 HydrophobicContact CG1-CE2 4.12Å; P32-Y53 HydrophobicContact CG-CD1 3.75Å; P32-Y53 HydrophobicContact CG-CE1 3.49Å; P32-Y53 VanDerWaalsContact CG-CE1 3.49Å; L36-Y53 HydrophobicContact CD1-CD1 3.83Å; L36-Y53 HydrophobicContact CD1-CD2 3.97Å; L36-Y53 HydrophobicContact CD1-CG 3.51Å; L49-Y53 PolarHBondContact O-N 2.99Å; V50-Y53 PolarHBondContact O-N 2.88Å; V51-Y53 VanDerWaalsContact C-N 3.29Å; V51-Y53 PolarHBondContact O-N 3.42Å; Y53-L55 VanDerWaalsContact C-N 3.3Å; Y53-L55 PolarHBondContact O-N 3.02Å; Y53-A56 PolarHBondContact O-N 2.81Å; Y53-S57 WeakPolarHBondContact O-CB 3.38Å; Y53-S57 PolarHBondContact O-N 3.46Å; Y53-L145 HydrophobicContact CD2-CD1 4.41Å; Y53-L145 HydrophobicContact CE2-CD1 3.94Å; Y53-F148 HydrophobicContact CD2-CD1 4.07Å; Y53-F148 HydrophobicContact CD2-CD2 4.21Å; Y53-F148 HydrophobicContact CD2-CE1 4.24Å; Y53-F148 HydrophobicContact CD2-CE2 4.35Å; Y53-F148 HydrophobicContact CD2-CG 4.06Å; Y53-F148 HydrophobicContact CD2-CZ 4.36Å; Y53-T149 PolarHBondContact OH-OG1 2.96Å; Y53-L152 HydrophobicContact CD2-CD1 3.82Å; Y53-L152 HydrophobicContact CE2-CD1 4.01Å
54Y97.4Very high95.5Very high95 Ų9552.7 Ų52.737%0.37328%0.284SS..Hα-helixtrans-64.5-35.4178.1-78.4-63.6000112.5T28 P32 V50 V51 S57 A58T28-Y54 HydrophobicContact CG2-CD1 4.33Å; T28-Y54 HydrophobicContact CG2-CE1 4.15Å; P32-Y54 HydrophobicContact CB-CE2 4.33Å; P32-Y54 VanDerWaalsContact CB-OH 3.31Å; P32-Y54 WeakPolarHBondContact CB-OH 3.42Å; P32-Y54 HydrophobicContact CG-CE1 4.13Å; P32-Y54 HydrophobicContact CG-CE2 4.46Å; V50-Y54 HydrophobicContact CG1-CD2 3.98Å; V50-Y54 HydrophobicContact CG1-CE2 3.83Å; V50-Y54 WeakPolarHBondContact O-CD2 3.29Å; V50-Y54 PolarHBondContact O-N 3.5Å; V50-Y54 VanDerWaalsContact O-N 3.12Å; V51-Y54 PolarHBondContact O-N 2.9Å; Y54-S57 PolarHBondContact O-N 3.49Å; Y54-A58 WeakPolarHBondContact O-CB 3.34Å; Y54-A58 PolarHBondContact O-N 3.32Å
55L96.7Very high95.8Very high98 Ų9852.3 Ų52.351%0.51328%0.281SS..Hα-helixtrans-63-49.1173-179.661.5000110.8V51 C52 Y53 S57 A58 L59V51-L55 VanDerWaalsContact O-CB 3.27Å; V51-L55 WeakPolarHBondContact O-CB 3.4Å; V51-L55 PolarHBondContact O-N 3.45Å; C52-L55 PolarHBondContact O-N 3.4Å; Y53-L55 VanDerWaalsContact C-N 3.3Å; Y53-L55 PolarHBondContact O-N 3.02Å; L55-S57 VanDerWaalsContact C-N 3.29Å; L55-S57 PolarHBondContact O-N 2.87Å; L55-A58 PolarHBondContact O-N 3.14Å; L55-L59 HydrophobicContact CD1-CD1 4.36Å; L55-L59 HydrophobicContact CD1-CG 4.19Å; L55-L59 HydrophobicContact CG-CD1 4.24Å; L55-L59 HydrophobicContact CG-CG 4.43Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 VanDerWaalsContact O-CG 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.29Å; L55-L59 PolarHBondContact O-N 3.23Å
56A96.4Very high96Very high11 Ų1153.4 Ų53.49%0.09128%0.283CS..Hα-helixtrans-58.6-41.8176.400000111.7C52 Y53 L59 C60 L145C52-A56 WeakPolarHBondContact O-CB 3.43Å; C52-A56 PolarHBondContact O-N 2.84Å; Y53-A56 PolarHBondContact O-N 2.81Å; A56-L59 PolarHBondContact O-N 3.48Å; A56-C60 WeakPolarHBondContact O-CB 3.45Å; A56-C60 PolarHBondContact O-N 3.43Å; A56-L145 HydrophobicContact CB-CD1 4.34Å
57S97.3Very high96Very high3 Ų349.5 Ų49.52%0.02126%0.258CS..Hα-helixtrans-61.5-46.9175176.30000112.4W24 T28 Y53 Y54 L55 L59 C60 L61W24-S57 PolarHBondContact NE1-O 3.25Å; W24-S57 PolarHBondContact NE1-OG 3.42Å; T28-S57 PolarHBondContact OG1-OG 3.18Å; Y53-S57 WeakPolarHBondContact O-CB 3.38Å; Y53-S57 PolarHBondContact O-N 3.46Å; Y54-S57 PolarHBondContact O-N 3.49Å; L55-S57 VanDerWaalsContact C-N 3.29Å; L55-S57 PolarHBondContact O-N 2.87Å; S57-L59 PolarHBondContact O-N 3.28Å; S57-C60 WeakPolarHBondContact O-CB 3.34Å; S57-C60 PolarHBondContact O-N 3.48Å; S57-L61 PolarHBondContact O-N 2.95Å
58A96.9Very high96.1Very high53 Ų5342 Ų4244%0.43823%0.231SC..Hα-helixtrans-64.2-40.1177.900000112.3Y54 L55 L61 M62Y54-A58 WeakPolarHBondContact O-CB 3.34Å; Y54-A58 PolarHBondContact O-N 3.32Å; L55-A58 PolarHBondContact O-N 3.14Å; A58-L61 PolarHBondContact O-N 3.43Å; A58-M62 WeakPolarHBondContact O-CB 3.49Å; A58-M62 PolarHBondContact O-N 3.29Å
59L95.8Very high96Very high39 Ų3941 Ų4120%0.20422%0.221CC..Hα-helixtrans-65.8-38.2175.9-68.3-175.7000112.1L55 A56 S57 M62 A63 Y141 P248L55-L59 HydrophobicContact CD1-CD1 4.36Å; L55-L59 HydrophobicContact CD1-CG 4.19Å; L55-L59 HydrophobicContact CG-CD1 4.24Å; L55-L59 HydrophobicContact CG-CG 4.43Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 VanDerWaalsContact O-CG 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.29Å; L55-L59 PolarHBondContact O-N 3.23Å; A56-L59 PolarHBondContact O-N 3.48Å; S57-L59 PolarHBondContact O-N 3.28Å; L59-M62 PolarHBondContact O-N 3.39Å; L59-A63 WeakPolarHBondContact O-CB 3.45Å; L59-A63 PolarHBondContact O-N 3.44Å; L59-Y141 HydrophobicContact CB-CD1 3.91Å; L59-Y141 HydrophobicContact CB-CE1 3.89Å; L59-Y141 HydrophobicContact CB-CG 4.25Å; L59-Y141 HydrophobicContact CD1-CD1 4.36Å; L59-Y141 HydrophobicContact CD1-CE1 3.64Å; L59-Y141 HydrophobicContact CG-CE1 4.38Å; L59-P248 HydrophobicContact CD1-CG 4.46Å; L59-P248 HydrophobicContact CD2-CB 3.96Å; L59-P248 HydrophobicContact CD2-CG 3.4Å; L59-P248 HydrophobicContact CG-CG 4.47Å
60C96.4Very high95.9Very high11 Ų1139.3 Ų39.37%0.07422%0.215CC..Hα-helixtrans-62.2-47.6173.9-170.60000111.5A56 S57 M62 A63 L64 T142 L145A56-C60 WeakPolarHBondContact O-CB 3.45Å; A56-C60 PolarHBondContact O-N 3.43Å; S57-C60 WeakPolarHBondContact O-CB 3.34Å; S57-C60 PolarHBondContact O-N 3.48Å; C60-M62 PolarHBondContact O-N 3.16Å; C60-A63 PolarHBondContact O-N 2.92Å; C60-L64 PolarHBondContact O-N 3.44Å; C60-T142 PolarHBondContact SG-OG1 2.78Å; C60-L145 HydrophobicContact CB-CD2 4Å
61L96.3Very high95.9Very high57 Ų5742.1 Ų42.130%0.29823%0.23SC..Hα-helixtrans-63.1-42.1176.9-177.367.8000111.9F21 W24 S57 A58 A63 L64 F65F21-L61 HydrophobicContact CD2-CD1 4.24Å; F21-L61 HydrophobicContact CE2-CD1 4.3Å; W24-L61 HydrophobicContact CD2-CD1 4.26Å; W24-L61 HydrophobicContact CE3-CD1 4.32Å; W24-L61 HydrophobicContact CH2-CD2 3.68Å; W24-L61 HydrophobicContact CZ2-CB 4.09Å; W24-L61 HydrophobicContact CZ2-CD2 3.69Å; W24-L61 HydrophobicContact CZ2-CG 4.31Å; W24-L61 HydrophobicContact CZ3-CD1 4.49Å; W24-L61 HydrophobicContact CZ3-CD2 4.24Å; S57-L61 PolarHBondContact O-N 2.95Å; A58-L61 PolarHBondContact O-N 3.43Å; L61-A63 PolarHBondContact O-N 3.49Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 3.27Å; L61-F65 WeakPolarHBondContact O-CB 3.35Å; L61-F65 PolarHBondContact O-N 3.41Å
62M95.4Very high95.7Very high76 Ų7638.4 Ų38.437%0.37421%0.207SC..Hα-helixtrans-60.5-45.3175.2179.163.473.500111.1A58 L59 C60 L64 F65 R66A58-M62 WeakPolarHBondContact O-CB 3.49Å; A58-M62 PolarHBondContact O-N 3.29Å; L59-M62 PolarHBondContact O-N 3.39Å; C60-M62 PolarHBondContact O-N 3.16Å; M62-L64 VanDerWaalsContact C-N 3.33Å; M62-L64 PolarHBondContact O-N 2.84Å; M62-F65 PolarHBondContact O-N 3.21Å; M62-R66 HydrophobicContact CG-CG 4.42Å; M62-R66 WeakPolarHBondContact O-CB 3.4Å; M62-R66 WeakPolarHBondContact O-CG 3.37Å; M62-R66 PolarHBondContact O-N 3Å; M62-R66 HydrophobicContact SD-CG 4.08Å
63A95.2Very high95.5Very high2 Ų235.3 Ų35.32%0.01719%0.186CC..Hα-helixtrans-62.5-40.7177.600000111.8L59 C60 L61 R66 A67 L138 Y141L59-A63 WeakPolarHBondContact O-CB 3.45Å; L59-A63 PolarHBondContact O-N 3.44Å; C60-A63 PolarHBondContact O-N 2.92Å; L61-A63 PolarHBondContact O-N 3.49Å; A63-R66 PolarHBondContact O-N 3.27Å; A63-A67 WeakPolarHBondContact O-CB 3.32Å; A63-A67 PolarHBondContact O-N 2.99Å; A63-L138 HydrophobicContact CB-CB 4.16Å; A63-L138 HydrophobicContact CB-CD1 4.42Å; A63-Y141 HydrophobicContact CB-CD2 3.97Å
64L95.8Very high95.3Very high16 Ų1641.5 Ų41.58%0.08421%0.209CC..Hα-helixtrans-60.3-53.2174.4176.661.3000110.7V20 C60 L61 M62 R66 A67 S68 I123 L138V20-L64 HydrophobicContact CG1-CD1 4.42Å; V20-L64 HydrophobicContact CG1-CD2 3.74Å; C60-L64 PolarHBondContact O-N 3.44Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 3.27Å; M62-L64 VanDerWaalsContact C-N 3.33Å; M62-L64 PolarHBondContact O-N 2.84Å; L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 3.25Å; L64-A67 PolarHBondContact O-N 2.86Å; L64-S68 WeakPolarHBondContact O-CB 3.49Å; L64-S68 PolarHBondContact O-N 2.89Å; L64-S68 PolarHBondContact O-OG 2.92Å; L64-I123 HydrophobicContact CD1-CG2 4.18Å; L64-L138 HydrophobicContact CB-CD1 3.86Å; L64-L138 HydrophobicContact CD1-CD1 4.39Å; L64-L138 HydrophobicContact CD1-CD2 4.04Å
65F95.5Very high95Very high109 Ų10937.3 Ų37.348%0.47819%0.193SC..Hα-helixtrans-56.5-44.9179.8179.1-100.2000111.8L5 L61 M62 S68 T69L5-F65 HydrophobicContact CD2-CZ 4.16Å; L61-F65 WeakPolarHBondContact O-CB 3.35Å; L61-F65 PolarHBondContact O-N 3.41Å; M62-F65 PolarHBondContact O-N 3.21Å; F65-S68 PolarHBondContact O-N 3.07Å; F65-T69 HydrophobicContact CD2-CG2 4.16Å; F65-T69 HydrophobicContact CE2-CG2 3.85Å; F65-T69 HydrophobicContact CZ-CG2 4.08Å; F65-T69 WeakPolarHBondContact O-CB 3.37Å; F65-T69 WeakPolarHBondContact O-CG2 3.38Å; F65-T69 PolarHBondContact O-N 2.69Å; F65-T69 PolarHBondContact O-OG1 3.46Å
66R94.2Very high94.6Very high46 Ų4635.4 Ų35.417%0.17419%0.187CC..Hα-helixtrans-66.9-44.3179.6-68.5178.477.5-143.74112.2M62 A63 L64 S68 T69 A70 W133 L134 Q137 P248 R250M62-R66 HydrophobicContact CG-CG 4.42Å; M62-R66 WeakPolarHBondContact O-CB 3.4Å; M62-R66 WeakPolarHBondContact O-CG 3.37Å; M62-R66 PolarHBondContact O-N 3Å; M62-R66 HydrophobicContact SD-CG 4.08Å; A63-R66 PolarHBondContact O-N 3.27Å; L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 3.25Å; R66-S68 VanDerWaalsContact C-N 3.33Å; R66-S68 PolarHBondContact O-N 3.41Å; R66-T69 PolarHBondContact O-N 3.02Å; R66-A70 WeakPolarHBondContact O-CB 3.42Å; R66-A70 PolarHBondContact O-N 2.93Å; R66-W133 VanDerWaalsContact NH2-CH2 3.26Å; R66-L134 HydrophobicContact CB-CD1 4.3Å; R66-L134 HydrophobicContact CB-CD2 4.17Å; R66-Q137 VanDerWaalsContact NH1-OE1 3.07Å; R66-P248 VanDerWaalsContact CZ-O 3.24Å; R66-P248 PolarHBondContact NH1-O 3.38Å; R66-R250 PolarHBondContact NH2-O 3.16Å
67A95Very high94Very high0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-63.8-40.1177.400000111.6A63 L64 I123 N125 L134 L138A63-A67 WeakPolarHBondContact O-CB 3.32Å; A63-A67 PolarHBondContact O-N 2.99Å; L64-A67 PolarHBondContact O-N 2.86Å; A67-I123 HydrophobicContact CB-CD1 4.31Å; A67-I123 HydrophobicContact CB-CG2 4.09Å; A67-N125 PolarHBondContact O-ND2 3.38Å; A67-N125 VanDerWaalsContact O-ND2 3.08Å; A67-L134 HydrophobicContact CB-CB 4.28Å; A67-L138 HydrophobicContact CB-CD2 4.2Å
68S95.9Very high93.3Very high12 Ų1247.9 Ų47.98%0.08426%0.256CS..Hα-helixtrans-69.1-33.7178.5-70.60000114.2L64 F65 R66 I123 N125L64-S68 WeakPolarHBondContact O-CB 3.49Å; L64-S68 PolarHBondContact O-N 2.89Å; L64-S68 PolarHBondContact O-OG 2.92Å; F65-S68 PolarHBondContact O-N 3.07Å; R66-S68 VanDerWaalsContact C-N 3.33Å; R66-S68 PolarHBondContact O-N 3.41Å; S68-I123 VanDerWaalsContact CA-O 3.23Å; S68-I123 WeakPolarHBondContact CA-O 3.34Å; S68-I123 WeakPolarHBondContact CB-O 3.25Å; S68-I123 WeakPolarHBondContact OG-CA 3.23Å; S68-I123 PolarHBondContact OG-O 2.79Å; S68-N125 PolarHBondContact O-ND2 3.11Å
69T94.8Very high92.5Very high18 Ų1845.9 Ų45.911%0.1124%0.239CC..Hα-helixtrans-105.9-7.7-17261.80000114.9L5 H6 L7 F65 R66L5-T69 HydrophobicContact CD2-CG2 4.15Å; H6-T69 WeakPolarHBondContact CB-O 3.3Å; H6-T69 PolarHBondContact N-O 3.38Å; H6-T69 WeakPolarHBondContact O-CA 3.48Å; L7-T69 HydrophobicContact CD2-CG2 4.28Å; F65-T69 HydrophobicContact CD2-CG2 4.16Å; F65-T69 HydrophobicContact CE2-CG2 3.85Å; F65-T69 HydrophobicContact CZ-CG2 4.08Å; F65-T69 WeakPolarHBondContact O-CB 3.37Å; F65-T69 WeakPolarHBondContact O-CG2 3.38Å; F65-T69 PolarHBondContact O-N 2.69Å; F65-T69 PolarHBondContact O-OG1 3.46Å; R66-T69 PolarHBondContact O-N 3.02Å
70A93.3Very high91.9Very high21 Ų2151.2 Ų51.217%0.17426%0.262CS..SBendtrans-72.7146.7178.500000112.2R66 P72 N125 N131 L134R66-A70 WeakPolarHBondContact O-CB 3.42Å; R66-A70 PolarHBondContact O-N 2.93Å; A70-P72 WeakPolarHBondContact O-CD 3.4Å; A70-N125 PolarHBondContact O-ND2 3.4Å; A70-N131 HydrophobicContact CB-CB 3.82Å; A70-L134 HydrophobicContact CB-CD1 3.43Å; A70-L134 VanDerWaalsContact CB-CD1 3.43Å
71D93.8Very high91.3Very high74 Ų7452.4 Ų52.440%0.39627%0.268SS..  trans-63.2123167.3-167.4-33.5000108.9G73 R74 D130D71-G73 PolarHBondContact O-N 3.48Å; D71-G73 WeakPolarHBondContact OD1-CA 3.38Å; D71-G73 PolarHBondContact OD1-N 3.21Å; D71-R74 PolarHBondContact OD1-N 2.94Å; D71-D130 WeakPolarHBondContact O-CB 3.32Å
72P94.3Very high90.5Very high0 Ų051 Ų510%026%0.262CS..  trans-72.1-5.3178.532.1-38.1000113.6A70 V113 C126 G128 E129 D130A70-P72 WeakPolarHBondContact O-CD 3.4Å; P72-V113 HydrophobicContact CB-CG1 3.93Å; P72-V113 HydrophobicContact CB-CG2 4.47Å; P72-V113 HydrophobicContact CG-CG1 4.3Å; P72-V113 HydrophobicContact CG-CG2 4.04Å; P72-C126 HydrophobicContact CB-CB 3.75Å; P72-C126 WeakPolarHBondContact CB-O 3.27Å; P72-C126 HydrophobicContact CG-CB 3.99Å; P72-G128 CarbonylContact O-C 3.31Å; P72-G128 WeakPolarHBondContact O-CA 3.42Å; P72-E129 PolarHBondContact O-N 2.72Å; P72-D130 PolarHBondContact O-N 3.46Å
73G92.4Very high89.8Confident0 Ų055.3 Ų55.30%028%0.281CS..  trans103.348.6-172.200000111.2D71 L75 R114 D130D71-G73 PolarHBondContact O-N 3.48Å; D71-G73 WeakPolarHBondContact OD1-CA 3.38Å; D71-G73 PolarHBondContact OD1-N 3.21Å; G73-L75 PolarHBondContact O-N 2.99Å; G73-R114 WeakPolarHBondContact O-CB 3.16Å; G73-R114 WeakPolarHBondContact O-CG 3.3Å; G73-R114 PolarHBondContact O-N 2.91Å; G73-D130 WeakPolarHBondContact CA-OD2 3.42Å
74R92.8Very high89.1Confident131 Ų13160.3 Ų60.349%0.49432%0.315SS..BIsolated β-bridgetrans-57.6133.3175.6177.2172.1178.6176.23110.6D71 H111 C112D71-R74 PolarHBondContact OD1-N 2.94Å; R74-H111 HydrophobicContact CG-CB 4.16Å; R74-C112 WeakPolarHBondContact CA-O 3.36Å
75L91.2Very high88.3Confident6 Ų659.9 Ų59.93%0.03131%0.313CS..PPolyproline II helixtrans-69.5137.5174.4-82.9156.9000111.2G73 L97 R99 C112 R114 Y261G73-L75 PolarHBondContact O-N 2.99Å; L75-L97 HydrophobicContact CB-CD1 4.33Å; L75-L97 HydrophobicContact CD1-CD1 4.32Å; L75-R99 HydrophobicContact CD1-CB 3.52Å; L75-C112 HydrophobicContact CB-CB 4.31Å; L75-C112 HydrophobicContact CD1-CB 3.53Å; L75-C112 HydrophobicContact CG-CB 4.44Å; L75-C112 PolarHBondContact N-O 3.36Å; L75-C112 VanDerWaalsContact N-O 3.08Å; L75-R114 HydrophobicContact CD1-CG 4.5Å; L75-R114 HydrophobicContact CD2-CG 3.8Å; L75-R114 HydrophobicContact CG-CG 3.8Å; L75-Y261 HydrophobicContact CD2-CE1 3.88Å
76P88.3Confident87.5Confident59 Ų5962 Ų6238%0.38332%0.318SS..PPolyproline II helixtrans-68.2158172.831.1-34.4000110.6D78 P79P76-D78 VanDerWaalsContact C-N 3.32Å; P76-D78 PolarHBondContact O-N 3.46Å; P76-P79 HydrophobicContact CG-CB 4.02Å
77V83.3Confident86.8Confident126 Ų12668.4 Ų68.476%0.76435%0.35SS*.SBendtrans-67.6-32.8-177.2178.10000112
78D82.4Confident86.2Confident149 Ų14970.1 Ų70.180%0.79736%0.358SS*.SBendtrans-128.782.2176.5-171.617.9000109.6P76P76-D78 VanDerWaalsContact C-N 3.32Å; P76-D78 PolarHBondContact O-N 3.46Å
79P81.5Confident85.8Confident12 Ų1270.2 Ų70.28%0.07836%0.356CS..  trans-71.8134.2178.726-27.8000110.3P76 I81 W89P76-P79 HydrophobicContact CG-CB 4.02Å; P79-I81 WeakPolarHBondContact O-CG1 3.41Å; P79-I81 PolarHBondContact O-N 2.93Å; P79-W89 HydrophobicContact CB-CH2 3.6Å; P79-W89 HydrophobicContact CB-CZ3 3.67Å; P79-W89 HydrophobicContact CG-CH2 4.01Å; P79-W89 HydrophobicContact CG-CZ3 3.52Å
80H82.4Confident85.6Confident150 Ų15073.9 Ų73.969%0.69437%0.372SS*.  trans-67118.3166-17871.8000109.4
81I83.8Confident85.5Confident37 Ų3777 Ų7719%0.1939%0.385CS..  trans-105.3110.4-179.7-53173.1000108.4P79 H83 R86 W89 M98P79-I81 WeakPolarHBondContact O-CG1 3.41Å; P79-I81 PolarHBondContact O-N 2.93Å; I81-H83 PolarHBondContact O-N 2.75Å; I81-R86 HydrophobicContact CG2-CB 4.48Å; I81-W89 HydrophobicContact CD1-CD2 4.17Å; I81-W89 HydrophobicContact CD1-CE3 3.92Å; I81-W89 HydrophobicContact CD1-CZ3 4.34Å; I81-W89 HydrophobicContact CG1-CD2 4.01Å; I81-W89 HydrophobicContact CG1-CE3 3.91Å; I81-W89 HydrophobicContact CG1-CH2 4.1Å; I81-W89 HydrophobicContact CG1-CZ2 4.16Å; I81-W89 HydrophobicContact CG1-CZ3 3.99Å; I81-W89 HydrophobicContact CG2-CD2 4.06Å; I81-W89 HydrophobicContact CG2-CG 4.03Å; I81-W89 HydrophobicContact CG2-CZ2 4.5Å; I81-M98 HydrophobicContact CD1-CB 3.58Å; I81-M98 HydrophobicContact CD1-CG 3.83Å
82P79.9Confident85.5Confident28 Ų2873.7 Ų73.718%0.18237%0.368CS..  trans-57.5138.3173-23.434.3000110.8S84 E85 R86P82-S84 PolarHBondContact O-N 3.34Å; P82-S84 VanDerWaalsContact O-N 3.15Å; P82-E85 HydrophobicContact CB-CB 4.34Å; P82-E85 HydrophobicContact CB-CG 4.25Å; P82-E85 HydrophobicContact CG-CG 4.44Å; P82-E85 PolarHBondContact O-N 2.82Å; P82-R86 PolarHBondContact O-N 2.94Å
83H80.1Confident85.5Confident166 Ų16680.3 Ų80.377%0.76940%0.404SS*.G310 helixtrans-55.1-35.9-179.4-79.1-79.1000112.9I81 E85I81-H83 PolarHBondContact O-N 2.75Å; H83-E85 VanDerWaalsContact C-N 3.28Å; H83-E85 PolarHBondContact O-N 2.9Å
84S79.9Confident85.5Confident106 Ų10687.5 Ų87.574%0.74144%0.435SS*.G310 helixtrans-69.7-19.5178.255.60000114.5P82P82-S84 PolarHBondContact O-N 3.34Å; P82-S84 VanDerWaalsContact O-N 3.15Å
85E78.6Confident85.6Confident7 Ų783 Ų833%0.03342%0.423CS..G310 helixtrans-102.7-5.6-175.3-66.8179.5-177.500112.1P82 H83 E87 Q88 H260 Y261P82-E85 HydrophobicContact CB-CB 4.34Å; P82-E85 HydrophobicContact CB-CG 4.25Å; P82-E85 HydrophobicContact CG-CG 4.44Å; P82-E85 PolarHBondContact O-N 2.82Å; H83-E85 VanDerWaalsContact C-N 3.28Å; H83-E85 PolarHBondContact O-N 2.9Å; E85-E87 VanDerWaalsContact C-N 3.27Å; E85-E87 PolarHBondContact O-N 3.37Å; E85-E87 VanDerWaalsContact O-N 3.09Å; E85-Q88 WeakPolarHBondContact O-CA 3.4Å; E85-Q88 WeakPolarHBondContact O-CB 3.41Å; E85-Q88 PolarHBondContact O-N 3.29Å; E85-H260 IonicContact OE1-ND1 3.7Å; E85-Y261 WeakPolarHBondContact OE2-CB 3.38Å
86R79.2Confident85.6Confident153 Ų15389 Ų8958%0.57746%0.455SS*.G310 helixtrans-54.1-36.4-170.3-173.4177-73.4-143.3-1.6114.4I81 P82 Q88 W89I81-R86 HydrophobicContact CG2-CB 4.48Å; P82-R86 PolarHBondContact O-N 2.94Å; R86-Q88 PolarHBondContact O-N 3Å; R86-W89 PolarHBondContact O-N 3.31Å
87E81Confident85.7Confident181 Ų18187.1 Ų87.185%0.84644%0.442SS*.G310 helixtrans-68.9-11.3178.1-63.8-176.6173.100114.1E85E85-E87 VanDerWaalsContact C-N 3.27Å; E85-E87 PolarHBondContact O-N 3.37Å; E85-E87 VanDerWaalsContact O-N 3.09Å
88Q80.5Confident86.1Confident37 Ų3784.1 Ų84.117%0.17342%0.42CS..G310 helixtrans-10513.9179.7-59.9163.812.300111.9E85 R86 P100 K101 S263E85-Q88 WeakPolarHBondContact O-CA 3.4Å; E85-Q88 WeakPolarHBondContact O-CB 3.41Å; E85-Q88 PolarHBondContact O-N 3.29Å; R86-Q88 PolarHBondContact O-N 3Å; Q88-P100 CarbonylContact O-C 3.47Å; Q88-P100 WeakPolarHBondContact O-CA 3.42Å; Q88-K101 HydrophobicContact CB-CD 4.11Å; Q88-K101 HydrophobicContact CB-CG 4.45Å; Q88-K101 HydrophobicContact CG-CD 4.38Å; Q88-K101 WeakPolarHBondContact O-CG 3.46Å; Q88-K101 PolarHBondContact O-N 3.5Å; Q88-S263 PolarHBondContact NE2-OG 2.83Å; Q88-S263 PolarHBondContact OE1-OG 3.23Å
89W88.6Confident86.5Confident14 Ų1479.2 Ų79.25%0.05339%0.39CS..EExtended strand (participates in β ladder)trans-116.2141.1175.3-71.562.3000109.8P79 I81 R86 M98 R99 P100 Y261P79-W89 HydrophobicContact CB-CH2 3.6Å; P79-W89 HydrophobicContact CB-CZ3 3.67Å; P79-W89 HydrophobicContact CG-CH2 4.01Å; P79-W89 HydrophobicContact CG-CZ3 3.52Å; I81-W89 HydrophobicContact CD1-CD2 4.17Å; I81-W89 HydrophobicContact CD1-CE3 3.92Å; I81-W89 HydrophobicContact CD1-CZ3 4.34Å; I81-W89 HydrophobicContact CG1-CD2 4.01Å; I81-W89 HydrophobicContact CG1-CE3 3.91Å; I81-W89 HydrophobicContact CG1-CH2 4.1Å; I81-W89 HydrophobicContact CG1-CZ2 4.16Å; I81-W89 HydrophobicContact CG1-CZ3 3.99Å; I81-W89 HydrophobicContact CG2-CD2 4.06Å; I81-W89 HydrophobicContact CG2-CG 4.03Å; I81-W89 HydrophobicContact CG2-CZ2 4.5Å; R86-W89 PolarHBondContact O-N 3.31Å; W89-M98 HydrophobicContact CB-CE 3.8Å; W89-M98 HydrophobicContact CE3-CB 3.79Å; W89-M98 HydrophobicContact CZ3-CB 4.4Å; W89-M98 WeakPolarHBondContact CZ3-O 3.46Å; W89-R99 CarbonylContact C-O 3.5Å; W89-R99 VanDerWaalsContact CA-O 3.22Å; W89-R99 WeakPolarHBondContact CA-O 3.43Å; W89-P100 HydrophobicContact CD2-CB 4.11Å; W89-P100 HydrophobicContact CZ2-CB 4.22Å; W89-Y261 AromaticContact CH2-CD1 3.99Å; W89-Y261 HydrophobicContact CH2-CD1 3.99Å; W89-Y261 AromaticContact CH2-CD2 3.77Å; W89-Y261 HydrophobicContact CH2-CD2 3.77Å; W89-Y261 AromaticContact CH2-CE1 3.77Å; W89-Y261 HydrophobicContact CH2-CE1 3.77Å; W89-Y261 AromaticContact CH2-CE2 3.57Å; W89-Y261 HydrophobicContact CH2-CE2 3.57Å; W89-Y261 AromaticContact CH2-CG 3.92Å; W89-Y261 HydrophobicContact CH2-CG 3.92Å; W89-Y261 AromaticContact CH2-CZ 3.54Å; W89-Y261 AromaticContact CZ2-CD1 3.85Å; W89-Y261 HydrophobicContact CZ2-CD1 3.85Å; W89-Y261 AromaticContact CZ2-CD2 3.29Å; W89-Y261 HydrophobicContact CZ2-CD2 3.29Å; W89-Y261 HydrophobicContact CZ2-CE1 4.1Å; W89-Y261 AromaticContact CZ2-CE2 3.6Å; W89-Y261 HydrophobicContact CZ2-CE2 3.6Å; W89-Y261 AromaticContact CZ2-CG 3.36Å; W89-Y261 HydrophobicContact CZ2-CG 3.36Å; W89-Y261 AromaticContact CZ2-CZ 3.98Å
90E89.6Confident86.8Confident95 Ų9579.2 Ų79.244%0.44439%0.39SS..EExtended strand (participates in β ladder)trans-127.2149.7-178.4-65.8172.9-170.800109.4R99E90-R99 PolarHBondContact N-O 3.45Å; E90-R99 WeakPolarHBondContact O-CG 3.28Å; E90-R99 PolarHBondContact O-N 2.93Å
91L91.4Very high86.9Confident86 Ų8677.6 Ų77.645%0.4538%0.381SS..EExtended strand (participates in β ladder)trans-75.6128.6175.6-175.766000110.2M98L91-M98 HydrophobicContact CB-SD 4.11Å; L91-M98 HydrophobicContact CD1-SD 4.09Å
92C94Very high86.9Confident5 Ų578.1 Ų78.13%0.03438%0.381CS..EExtended strand (participates in β ladder)trans-89.4105.5164.3-1770000110.3K94 C95 N96 L97 R99 C112C92-K94 PolarHBondContact O-N 3.36Å; C92-K94 VanDerWaalsContact O-N 3.15Å; C92-C95 HydrophobicContact CB-CB 4.23Å; C92-C95 PolarHBondContact O-N 2.9Å; C92-N96 WeakPolarHBondContact O-CA 3.36Å; C92-N96 PolarHBondContact O-N 2.93Å; C92-L97 PolarHBondContact N-O 3.5Å; C92-R99 HydrophobicContact CB-CG 4.47Å; C92-C112 PolarHBondContact SG-SG 2.8Å
93N93.8Very high87.5Confident139 Ų13977 Ų7774%0.74337%0.374SS*.THydrogen-bonded Turntrans-59.2-29.2179.8-61.7-23.4000114
94K94.1Very high88.1Confident151 Ų15171.5 Ų71.566%0.65735%0.349SS*.THydrogen-bonded Turntrans-75.9-35.8180-66.2-177.1177.6-175.30113.3C92 H105C92-K94 PolarHBondContact O-N 3.36Å; C92-K94 VanDerWaalsContact O-N 3.15Å; K94-H105 WeakPolarHBondContact CD-CD2 3.39Å; K94-H105 WeakPolarHBondContact CD-NE2 3.31Å
95C93.1Very high88.9Confident36 Ų3668.4 Ų68.424%0.24332%0.322CS..THydrogen-bonded Turntrans-97.2-12.9179.9-68.40000112.9C92 L97 H105C92-C95 HydrophobicContact CB-CB 4.23Å; C92-C95 PolarHBondContact O-N 2.9Å; C95-L97 VanDerWaalsContact C-N 3.27Å; C95-L97 HydrophobicContact CB-CD2 3.63Å; C95-L97 HydrophobicContact CB-CG 3.59Å; C95-L97 PolarHBondContact O-N 2.89Å; C95-H105 PolarHBondContact SG-ND1 3.25Å
96N92.5Very high89.7Confident132 Ų13268.4 Ų68.471%0.70632%0.323SS*.THydrogen-bonded Turntrans49.644.6-169.5-162.237.9000113.4C92C92-N96 WeakPolarHBondContact O-CA 3.36Å; C92-N96 PolarHBondContact O-N 2.93Å
97L91Very high90.4Very high20 Ų2065.5 Ų65.511%0.10533%0.326CS..EExtended strand (participates in β ladder)trans-136153.7177.565.182.7000110.9L75 C92 C95 R99L75-L97 HydrophobicContact CB-CD1 4.33Å; L75-L97 HydrophobicContact CD1-CD1 4.32Å; C92-L97 PolarHBondContact N-O 3.5Å; C95-L97 VanDerWaalsContact C-N 3.27Å; C95-L97 HydrophobicContact CB-CD2 3.63Å; C95-L97 HydrophobicContact CB-CG 3.59Å; C95-L97 PolarHBondContact O-N 2.89Å; L97-R99 HydrophobicContact CD1-CB 4.21Å
98M90.9Very high91.1Very high63 Ų6363.2 Ų63.231%0.3131%0.309SS..EExtended strand (participates in β ladder)trans-74.5133.7170.7-64-59.4-64.300109.3I81 W89 L91I81-M98 HydrophobicContact CD1-CB 3.58Å; I81-M98 HydrophobicContact CD1-CG 3.83Å; W89-M98 HydrophobicContact CB-CE 3.8Å; W89-M98 HydrophobicContact CE3-CB 3.79Å; W89-M98 HydrophobicContact CZ3-CB 4.4Å; W89-M98 WeakPolarHBondContact CZ3-O 3.46Å; L91-M98 HydrophobicContact CB-SD 4.11Å; L91-M98 HydrophobicContact CD1-SD 4.09Å
99R90.3Very high91.7Very high45 Ų4562.4 Ų62.417%0.1731%0.308CS..EExtended strand (participates in β ladder)trans-124.7144.6174.764.2175.9-175.3-159.11.6109.9L75 W89 E90 C92 L97 S103L75-R99 HydrophobicContact CD1-CB 3.52Å; W89-R99 CarbonylContact C-O 3.5Å; W89-R99 VanDerWaalsContact CA-O 3.22Å; W89-R99 WeakPolarHBondContact CA-O 3.43Å; E90-R99 PolarHBondContact N-O 3.45Å; E90-R99 WeakPolarHBondContact O-CG 3.28Å; E90-R99 PolarHBondContact O-N 2.93Å; C92-R99 HydrophobicContact CB-CG 4.47Å; L97-R99 HydrophobicContact CD1-CB 4.21Å; R99-S103 WeakPolarHBondContact CD-O 3.21Å; R99-S103 PolarHBondContact NE-O 3.28Å
100P88.7Confident92Very high12 Ų1264.1 Ų64.18%0.07833%0.33CS..EExtended strand (participates in β ladder)trans-70.1159.8173.534.2-37.9000110Q88 W89 S103 Y261Q88-P100 CarbonylContact O-C 3.47Å; Q88-P100 WeakPolarHBondContact O-CA 3.42Å; W89-P100 HydrophobicContact CD2-CB 4.11Å; W89-P100 HydrophobicContact CZ2-CB 4.22Å; P100-S103 VanDerWaalsContact CG-OG 3.27Å; P100-S103 WeakPolarHBondContact CG-OG 3.48Å; P100-S103 VanDerWaalsContact O-CB 3.25Å; P100-S103 WeakPolarHBondContact O-CB 3.29Å; P100-S103 PolarHBondContact O-N 3.47Å; P100-S103 VanDerWaalsContact O-N 3.17Å; P100-S103 PolarHBondContact O-OG 3.47Å; P100-Y261 HydrophobicContact CB-CD1 4.08Å; P100-Y261 HydrophobicContact CB-CG 4.43Å; P100-Y261 HydrophobicContact CG-CD1 3.6Å; P100-Y261 HydrophobicContact CG-CE1 4.1Å; P100-Y261 HydrophobicContact CG-CG 4.41Å
101K83Confident92.2Very high116 Ų11660 Ų6050%0.50431%0.311SS..THydrogen-bonded Turntrans-49.7151168.5-78.5176.3179.7-179.40110.4Q88 S103Q88-K101 HydrophobicContact CB-CD 4.11Å; Q88-K101 HydrophobicContact CB-CG 4.45Å; Q88-K101 HydrophobicContact CG-CD 4.38Å; Q88-K101 WeakPolarHBondContact O-CG 3.46Å; Q88-K101 PolarHBondContact O-N 3.5Å; K101-S103 PolarHBondContact O-N 2.96Å
102R85.5Confident92.4Very high48 Ų4856 Ų5618%0.18129%0.29CS..THydrogen-bonded Turntrans68.3-1.6-173-38178.662.6165.213115.6H104 R115 M116 D208 E213R102-H104 PolarHBondContact O-CD2 3.43Å; R102-R115 HydrophobicContact CB-CG 4.47Å; R102-R115 VanDerWaalsContact O-CA 3.25Å; R102-R115 WeakPolarHBondContact O-CA 3.3Å; R102-R115 PolarHBondContact O-N 3.4Å; R102-M116 PolarHBondContact O-N 3.39Å; R102-D208 IonicContact CZ-OD1 3.81Å; R102-D208 IonicContact NH1-OD1 3.59Å; R102-D208 PolarHBondContact NH1-OD1 3.3Å; R102-D208 VanDerWaalsContact NH1-OD1 3.14Å; R102-D208 IonicContact NH1-OD2 3.9Å; R102-D208 PolarHBondContact NH2-O 3.22Å; R102-D208 IonicContact NH2-OD1 3.66Å; R102-E213 WeakPolarHBondContact CB-OE1 3.35Å; R102-E213 WeakPolarHBondContact CD-OE1 3.4Å; R102-E213 WeakPolarHBondContact CG-OE1 3.5Å; R102-E213 IonicContact CZ-OE1 3.35Å; R102-E213 IonicContact CZ-OE2 3.03Å; R102-E213 IonicContact NE-OE1 2.62Å; R102-E213 PolarHBondContact NE-OE1 3.2Å; R102-E213 IonicContact NE-OE2 3.59Å; R102-E213 IonicContact NH2-OE1 3.37Å; R102-E213 PolarHBondContact NH2-OE1 3.36Å; R102-E213 IonicContact NH2-OE2 3.79Å; R102-E213 PolarHBondContact NH2-OE2 2.79Å
103S91.3Very high92.4Very high5 Ų555.8 Ų55.84%0.03529%0.288CS..  trans-91.6139.2170.9-60.10000111.1R99 P100 K101 V113 R114R99-S103 WeakPolarHBondContact CD-O 3.21Å; R99-S103 PolarHBondContact NE-O 3.28Å; P100-S103 VanDerWaalsContact CG-OG 3.27Å; P100-S103 WeakPolarHBondContact CG-OG 3.48Å; P100-S103 VanDerWaalsContact O-CB 3.25Å; P100-S103 WeakPolarHBondContact O-CB 3.29Å; P100-S103 PolarHBondContact O-N 3.47Å; P100-S103 VanDerWaalsContact O-N 3.17Å; P100-S103 PolarHBondContact O-OG 3.47Å; K101-S103 PolarHBondContact O-N 2.96Å; S103-V113 WeakPolarHBondContact CA-O 3.31Å; S103-V113 WeakPolarHBondContact CB-O 3.48Å; S103-R114 WeakPolarHBondContact OG-CA 3.47Å
104H93.8Very high92.3Very high51 Ų5151.3 Ų51.324%0.23626%0.261CS..EExtended strand (participates in β ladder)trans-129.7150.7-177.5-61-84.6000111.3R102 C112 V113 M116 I212R102-H104 PolarHBondContact O-CD2 3.43Å; H104-C112 CarbonylContact O-C 3.22Å; H104-C112 VanDerWaalsContact O-CA 3.29Å; H104-C112 WeakPolarHBondContact O-CA 3.27Å; H104-V113 PolarHBondContact N-O 2.92Å; H104-V113 PolarHBondContact O-N 3.27Å; H104-M116 HydrophobicContact CB-CB 4.06Å; H104-M116 HydrophobicContact CB-CG 4.42Å; H104-M116 HydrophobicContact CB-SD 3.75Å; H104-I212 HydrophobicContact CB-CD1 3.99Å
105H95.4Very high92.2Very high41 Ų4146.4 Ų46.419%0.1924%0.238CC..EExtended strand (participates in β ladder)trans-84.9121.2173.2177.498.3000109.3K94 C95K94-H105 WeakPolarHBondContact CD-CD2 3.39Å; K94-H105 WeakPolarHBondContact CD-NE2 3.31Å; C95-H105 PolarHBondContact SG-ND1 3.25Å
106C96.2Very high92.2Very high6 Ų645.3 Ų45.34%0.04123%0.23CC..EExtended strand (participates in β ladder)trans-90.4115.9171.1-177.30000109.6R108 C109 G110 H111 M116 C126C106-R108 PolarHBondContact O-N 2.75Å; C106-R108 PolarHBondContact SG-N 2.78Å; C106-C109 HydrophobicContact CB-CB 4.04Å; C106-C109 PolarHBondContact O-N 3.38Å; C106-C109 PolarHBondContact SG-N 2.85Å; C106-C109 VanDerWaalsContact SG-N 3.43Å; C106-G110 PolarHBondContact O-N 3.28Å; C106-H111 PolarHBondContact N-O 2.98Å; C106-M116 HydrophobicContact CB-CE 3.75Å; C106-M116 HydrophobicContact CB-SD 4.06Å; C106-C126 VanDerWaalsContact CB-SG 3.53Å; C106-C126 PolarHBondContact SG-SG 3.3Å
107S94.6Very high92.3Very high92 Ų9239.1 Ų39.164%0.64320%0.197SC*.THydrogen-bonded Turntrans-66.8-25.4176.9510000113.1
108R94.6Very high92.5Very high133 Ų13340.2 Ų40.250%0.50220%0.201SC..THydrogen-bonded Turntrans-73.1-43.6176.1-61.5-76.9-177.3170.1-5.9111.5V8 D10 C106 H119V8-R108 WeakPolarHBondContact CG1-O 3.1Å; D10-R108 IonicContact OD1-CZ 3.56Å; D10-R108 IonicContact OD1-NH1 2.66Å; D10-R108 PolarHBondContact OD1-NH1 3.19Å; C106-R108 PolarHBondContact O-N 2.75Å; C106-R108 PolarHBondContact SG-N 2.78Å; R108-H119 VanDerWaalsContact CB-CE1 3.48Å; R108-H119 WeakPolarHBondContact CB-CE1 3.45Å
109C94.3Very high92.7Very high21 Ų2139 Ų3914%0.14220%0.195CC..THydrogen-bonded Turntrans-84-19.7178.6-56.10000113.6V8 C106 H111 H119 C126V8-C109 HydrophobicContact CG1-CB 4.49Å; V8-C109 HydrophobicContact CG2-CB 4.31Å; C106-C109 HydrophobicContact CB-CB 4.04Å; C106-C109 PolarHBondContact O-N 3.38Å; C106-C109 PolarHBondContact SG-N 2.85Å; C106-C109 VanDerWaalsContact SG-N 3.43Å; C109-H111 VanDerWaalsContact C-N 3.34Å; C109-H111 WeakPolarHBondContact CB-NE2 3.45Å; C109-H111 PolarHBondContact O-CD2 3.49Å; C109-H111 VanDerWaalsContact O-CD2 3.24Å; C109-H111 PolarHBondContact O-N 3.38Å; C109-H119 PolarHBondContact SG-ND1 3.49Å; C109-H119 VanDerWaalsContact SG-ND1 3.37Å; C109-C126 PolarHBondContact SG-SG 3.16Å
110G93.9Very high93Very high50 Ų5037.1 Ų37.152%0.51519%0.189SC..THydrogen-bonded Turntrans73.919.4179.600000114.6C106C106-G110 PolarHBondContact O-N 3.28Å
111H93.8Very high93.4Very high8 Ų838.7 Ų38.74%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-149.4167.3177.362.478.8000112.2H6 R74 C106 C109H6-H111 AromaticContact CE1-CE1 4Å; H6-H111 AromaticContact CE1-NE2 3.22Å; H6-H111 PolarHBondContact CE1-NE2 3.01Å; H6-H111 AromaticContact NE2-NE2 3.57Å; R74-H111 HydrophobicContact CG-CB 4.16Å; C106-H111 PolarHBondContact N-O 2.98Å; C109-H111 VanDerWaalsContact C-N 3.34Å; C109-H111 WeakPolarHBondContact CB-NE2 3.45Å; C109-H111 PolarHBondContact O-CD2 3.49Å; C109-H111 VanDerWaalsContact O-CD2 3.24Å; C109-H111 PolarHBondContact O-N 3.38Å
112C95.1Very high94Very high2 Ų238.9 Ų38.91%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-81.2142.6171.7-62.80000111.5R74 L75 C92 H104R74-C112 WeakPolarHBondContact CA-O 3.36Å; L75-C112 HydrophobicContact CB-CB 4.31Å; L75-C112 HydrophobicContact CD1-CB 3.53Å; L75-C112 HydrophobicContact CG-CB 4.44Å; L75-C112 PolarHBondContact N-O 3.36Å; L75-C112 VanDerWaalsContact N-O 3.08Å; C92-C112 PolarHBondContact SG-SG 2.8Å; H104-C112 CarbonylContact O-C 3.22Å; H104-C112 VanDerWaalsContact O-CA 3.29Å; H104-C112 WeakPolarHBondContact O-CA 3.27Å
113V95Very high94.5Very high0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-121132.1-180177.20000108.5P72 S103 H104 M116 C126P72-V113 HydrophobicContact CB-CG1 3.93Å; P72-V113 HydrophobicContact CB-CG2 4.47Å; P72-V113 HydrophobicContact CG-CG1 4.3Å; P72-V113 HydrophobicContact CG-CG2 4.04Å; S103-V113 WeakPolarHBondContact CA-O 3.31Å; S103-V113 WeakPolarHBondContact CB-O 3.48Å; H104-V113 PolarHBondContact N-O 2.92Å; H104-V113 PolarHBondContact O-N 3.27Å; V113-M116 HydrophobicContact CB-CB 3.96Å; V113-M116 HydrophobicContact CB-CG 4.15Å; V113-M116 HydrophobicContact CB-SD 4.31Å; V113-M116 HydrophobicContact CG1-CB 4.06Å; V113-M116 HydrophobicContact CG1-CG 4.32Å; V113-C126 HydrophobicContact CG1-CB 4.43Å; V113-C126 HydrophobicContact CG2-CB 3.99Å
114R92Very high94.8Very high46 Ų4636.7 Ų36.717%0.17419%0.188CC..THydrogen-bonded Turntrans-69.8134.4176.7-65.8-176.4-67.3166.8-0.2110.8G73 L75 S103 M116 E129 D130G73-R114 WeakPolarHBondContact O-CB 3.16Å; G73-R114 WeakPolarHBondContact O-CG 3.3Å; G73-R114 PolarHBondContact O-N 2.91Å; L75-R114 HydrophobicContact CD1-CG 4.5Å; L75-R114 HydrophobicContact CD2-CG 3.8Å; L75-R114 HydrophobicContact CG-CG 3.8Å; S103-R114 WeakPolarHBondContact OG-CA 3.47Å; R114-M116 PolarHBondContact O-N 2.68Å; R114-M116 VanDerWaalsContact O-N 3.14Å; R114-E129 HydrophobicContact CB-CB 4.16Å; R114-E129 WeakPolarHBondContact CB-OE2 3.39Å; R114-E129 IonicContact CZ-OE2 3.32Å; R114-E129 IonicContact NE-OE2 3.61Å; R114-E129 IonicContact NH1-OE2 3.09Å; R114-E129 PolarHBondContact O-N 2.92Å; R114-D130 IonicContact CZ-OD2 3.82Å; R114-D130 IonicContact NH2-OD1 3.83Å; R114-D130 IonicContact NH2-OD2 3Å; R114-D130 PolarHBondContact NH2-OD2 2.9Å
115R90.3Very high95Very high47 Ų4734.3 Ų34.318%0.17718%0.177CC..THydrogen-bonded Turntrans45.247.5179.6-145177.2-179.6173.2-1.3111R102 D117 E129 D208 T210 E235R102-R115 HydrophobicContact CB-CG 4.47Å; R102-R115 VanDerWaalsContact O-CA 3.25Å; R102-R115 WeakPolarHBondContact O-CA 3.3Å; R102-R115 PolarHBondContact O-N 3.4Å; R115-D117 PolarHBondContact O-N 3.49Å; R115-E129 HydrophobicContact CB-CB 4.03Å; R115-D208 IonicContact CZ-OD1 3.77Å; R115-D208 IonicContact NH2-OD1 2.85Å; R115-D208 PolarHBondContact NH2-OD1 2.95Å; R115-D208 IonicContact NH2-OD2 3.14Å; R115-T210 HydrophobicContact CG-CG2 4.13Å; R115-E235 IonicContact CZ-OE1 3.14Å; R115-E235 IonicContact NH1-OE1 2.75Å; R115-E235 PolarHBondContact NH1-OE1 2.88Å; R115-E235 IonicContact NH2-OE1 3.57Å
116M93.8Very high95Very high13 Ų1332.3 Ų32.36%0.06417%0.168CC..  trans-62.4126.2-172.4-179.4176.9169.100109.4R102 H104 C106 V113 R114 H119 I212R102-M116 PolarHBondContact O-N 3.39Å; H104-M116 HydrophobicContact CB-CB 4.06Å; H104-M116 HydrophobicContact CB-CG 4.42Å; H104-M116 HydrophobicContact CB-SD 3.75Å; C106-M116 HydrophobicContact CB-CE 3.75Å; C106-M116 HydrophobicContact CB-SD 4.06Å; V113-M116 HydrophobicContact CB-CB 3.96Å; V113-M116 HydrophobicContact CB-CG 4.15Å; V113-M116 HydrophobicContact CB-SD 4.31Å; V113-M116 HydrophobicContact CG1-CB 4.06Å; V113-M116 HydrophobicContact CG1-CG 4.32Å; R114-M116 PolarHBondContact O-N 2.68Å; R114-M116 VanDerWaalsContact O-N 3.14Å; M116-H119 HydrophobicContact CE-CB 4.45Å; M116-I212 HydrophobicContact CB-CD1 4.27Å; M116-I212 HydrophobicContact CE-CD1 4.43Å; M116-I212 HydrophobicContact CG-CD1 3.97Å; M116-I212 HydrophobicContact SD-CD1 4.21Å
117D94.4Very high95.1Very high2 Ų232 Ų321%0.01117%0.166CC..  trans-89.3-58.5174.5-169.466.1000110.7R115 V127 Q201 T210 T211 I212R115-D117 PolarHBondContact O-N 3.49Å; D117-V127 HydrophobicContact CB-CB 4.39Å; D117-V127 HydrophobicContact CB-CG1 4.27Å; D117-V127 PolarHBondContact N-O 3.35Å; D117-Q201 PolarHBondContact OD2-NE2 3.44Å; D117-Q201 PolarHBondContact OD2-OE1 3.32Å; D117-T210 WeakPolarHBondContact OD1-CA 3.45Å; D117-T211 PolarHBondContact OD1-N 3.31Å; D117-T211 PolarHBondContact OD1-OG1 2.91Å; D117-T211 PolarHBondContact OD2-OG1 3.29Å; D117-T211 VanDerWaalsContact OD2-OG1 3.05Å; D117-I212 WeakPolarHBondContact O-CG1 3.33Å
118H95Very high95.1Very high44 Ų4427.7 Ų27.720%0.20414%0.135CC..EExtended strand (participates in β ladder)trans-163.8166176.762.7-76.6000111.7C120 C126 V127 F135 Q201H118-C120 WeakPolarHBondContact NE2-CB 3.41Å; H118-C126 WeakPolarHBondContact O-CA 3.37Å; H118-V127 PolarHBondContact N-O 3.41Å; H118-V127 PolarHBondContact O-N 3.26Å; H118-F135 AromaticContact CE1-CE1 3.93Å; H118-F135 AromaticContact NE2-CZ 3.96Å; H118-Q201 PolarHBondContact CE1-NE2 3.4Å
119H96.2Very high94.9Very high37 Ų3724 Ų2417%0.17112%0.123CC..EExtended strand (participates in β ladder)trans-89.4122.9162-176.981.9000108.9D10 R108 C109 M116D10-H119 IonicContact OD2-CD2 3.96Å; D10-H119 IonicContact OD2-NE2 3.76Å; D10-H119 PolarHBondContact OD2-NE2 3.47Å; R108-H119 VanDerWaalsContact CB-CE1 3.48Å; R108-H119 WeakPolarHBondContact CB-CE1 3.45Å; C109-H119 PolarHBondContact SG-ND1 3.49Å; C109-H119 VanDerWaalsContact SG-ND1 3.37Å; M116-H119 HydrophobicContact CE-CB 4.45Å
120C96.6Very high94.8Very high6 Ų625.2 Ų25.24%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-107.8111.9-177.2-177.60000110.1H118 W122 I123 N124 N125 V127H118-C120 WeakPolarHBondContact NE2-CB 3.41Å; C120-W122 PolarHBondContact O-N 2.68Å; C120-I123 HydrophobicContact CB-CD1 4.14Å; C120-I123 HydrophobicContact CB-CG1 3.7Å; C120-I123 PolarHBondContact O-N 3.02Å; C120-N124 PolarHBondContact O-N 2.93Å; C120-N124 VanDerWaalsContact O-N 3.08Å; C120-N125 PolarHBondContact N-O 3.18Å; C120-N125 PolarHBondContact O-N 2.91Å; C120-V127 HydrophobicContact CB-CG2 4.16Å
121P95.9Very high94.8Very high44 Ų4422.9 Ų22.929%0.28610%0.104SC..G310 helixtrans-65.9-28.5179.227.7-34.3000111.8G13 C16 I123 N124G13-P121 WeakPolarHBondContact CA-O 3.22Å; C16-P121 HydrophobicContact CB-CB 4.28Å; C16-P121 WeakPolarHBondContact CB-O 3.46Å; P121-I123 VanDerWaalsContact C-N 3.26Å; P121-I123 PolarHBondContact O-N 3.34Å; P121-N124 PolarHBondContact O-N 2.9Å
122W96.1Very high94.8Very high120 Ų12023.5 Ų23.546%0.45511%0.107SC..G310 helixtrans-67.2-22.6-179.1-55.2108.7000114.6C16 V20 C120C16-W122 HydrophobicContact CB-CD2 4.24Å; C16-W122 HydrophobicContact CB-CE3 3.69Å; C16-W122 HydrophobicContact CB-CZ3 4.06Å; V20-W122 HydrophobicContact CG2-CE3 3.73Å; V20-W122 HydrophobicContact CG2-CZ3 4.34Å; C120-W122 PolarHBondContact O-N 2.68Å
123I96.7Very high94.7Very high2 Ų223.9 Ų23.91%0.0111%0.108CC..G310 helixtrans-110.31.5170.364169.6000112L64 A67 S68 C120 P121 N125 V127 F135 L138L64-I123 HydrophobicContact CD1-CG2 4.18Å; A67-I123 HydrophobicContact CB-CD1 4.31Å; A67-I123 HydrophobicContact CB-CG2 4.09Å; S68-I123 VanDerWaalsContact CA-O 3.23Å; S68-I123 WeakPolarHBondContact CA-O 3.34Å; S68-I123 WeakPolarHBondContact CB-O 3.25Å; S68-I123 WeakPolarHBondContact OG-CA 3.23Å; S68-I123 PolarHBondContact OG-O 2.79Å; C120-I123 HydrophobicContact CB-CD1 4.14Å; C120-I123 HydrophobicContact CB-CG1 3.7Å; C120-I123 PolarHBondContact O-N 3.02Å; P121-I123 VanDerWaalsContact C-N 3.26Å; P121-I123 PolarHBondContact O-N 3.34Å; I123-N125 HydrophobicContact CD1-CB 3.97Å; I123-N125 HydrophobicContact CG1-CB 3.97Å; I123-N125 PolarHBondContact O-N 2.96Å; I123-V127 HydrophobicContact CD1-CG2 3.86Å; I123-F135 HydrophobicContact CD1-CD2 4.21Å; I123-L138 HydrophobicContact CG2-CD2 3.36Å
124N97Very high94.6Very high6 Ų624.3 Ų24.33%0.03211%0.111CC..THydrogen-bonded Turntrans4544.1-172.5-168.523.3000113.2V8 D10 W14 I17 C120 P121V8-N124 WeakPolarHBondContact CB-O 3.34Å; V8-N124 PolarHBondContact O-ND2 2.95Å; D10-N124 WeakPolarHBondContact CB-OD1 3.48Å; W14-N124 PolarHBondContact NE1-ND2 2.65Å; I17-N124 HydrophobicContact CD1-CB 3.3Å; I17-N124 HydrophobicContact CG1-CB 3.96Å; C120-N124 PolarHBondContact O-N 2.93Å; C120-N124 VanDerWaalsContact O-N 3.08Å; P121-N124 PolarHBondContact O-N 2.9Å
125N97.2Very high94.8Very high0 Ų022.4 Ų22.40%010%0.104CC..EExtended strand (participates in β ladder)trans-156.2159.5-175.6-163.55.3000110.3H6 A67 S68 A70 C120 I123 N131H6-N125 PolarHBondContact CD2-OD1 3.26Å; H6-N125 VanDerWaalsContact CD2-OD1 3.25Å; A67-N125 PolarHBondContact O-ND2 3.38Å; A67-N125 VanDerWaalsContact O-ND2 3.08Å; S68-N125 PolarHBondContact O-ND2 3.11Å; A70-N125 PolarHBondContact O-ND2 3.4Å; C120-N125 PolarHBondContact N-O 3.18Å; C120-N125 PolarHBondContact O-N 2.91Å; I123-N125 HydrophobicContact CD1-CB 3.97Å; I123-N125 HydrophobicContact CG1-CB 3.97Å; I123-N125 PolarHBondContact O-N 2.96Å; N125-N131 PolarHBondContact ND2-ND2 3.02Å
126C97.3Very high95Very high0 Ų020.7 Ų20.70%010%0.098CC..EExtended strand (participates in β ladder)trans-71.9149.8166.5-82.20000110.8P72 C106 C109 V113 H118 N131P72-C126 HydrophobicContact CB-CB 3.75Å; P72-C126 WeakPolarHBondContact CB-O 3.27Å; P72-C126 HydrophobicContact CG-CB 3.99Å; C106-C126 VanDerWaalsContact CB-SG 3.53Å; C106-C126 PolarHBondContact SG-SG 3.3Å; C109-C126 PolarHBondContact SG-SG 3.16Å; V113-C126 HydrophobicContact CG1-CB 4.43Å; V113-C126 HydrophobicContact CG2-CB 3.99Å; H118-C126 WeakPolarHBondContact O-CA 3.37Å; C126-N131 PolarHBondContact O-ND2 2.99Å; C126-N131 PolarHBondContact O-OD1 3.43Å
127V97Very high95Very high0 Ų020.2 Ų20.20%010%0.096CC..EExtended strand (participates in β ladder)trans-101.8118.7163-176.60000106.7D117 H118 C120 I123 N131 H132 F135D117-V127 HydrophobicContact CB-CB 4.39Å; D117-V127 HydrophobicContact CB-CG1 4.27Å; D117-V127 PolarHBondContact N-O 3.35Å; H118-V127 PolarHBondContact N-O 3.41Å; H118-V127 PolarHBondContact O-N 3.26Å; C120-V127 HydrophobicContact CB-CG2 4.16Å; I123-V127 HydrophobicContact CD1-CG2 3.86Å; V127-N131 WeakPolarHBondContact CA-OD1 3.49Å; V127-H132 HydrophobicContact CG1-CB 4.2Å; V127-F135 HydrophobicContact CG1-CB 4.01Å; V127-F135 HydrophobicContact CG1-CD1 4.21Å; V127-F135 HydrophobicContact CG1-CG 4.17Å; V127-F135 HydrophobicContact CG2-CB 4.12Å; V127-F135 HydrophobicContact CG2-CD1 4.24Å; V127-F135 HydrophobicContact CG2-CD2 3.82Å; V127-F135 HydrophobicContact CG2-CE2 4.29Å; V127-F135 HydrophobicContact CG2-CG 3.79Å
128G94.5Very high95.1Very high0 Ų020.9 Ų20.90%010%0.099CC..  trans-149.5-170-178.300000111.5P72 D130 N131 H132P72-G128 CarbonylContact O-C 3.31Å; P72-G128 WeakPolarHBondContact O-CA 3.42Å; G128-D130 PolarHBondContact O-N 2.74Å; G128-N131 PolarHBondContact N-OD1 3.23Å; G128-N131 PolarHBondContact O-N 3Å; G128-N131 PolarHBondContact O-OD1 3.25Å; G128-H132 VanDerWaalsContact O-CB 3.3Å; G128-H132 WeakPolarHBondContact O-CB 3.38Å; G128-H132 PolarHBondContact O-N 2.87Å
129E90.8Very high95.2Very high56 Ų5618.9 Ų18.926%0.2629%0.09SC..THydrogen-bonded Turntrans-49.2-39.7-169.4-172.3177.2-169.500114.8P72 R114 R115 R252P72-E129 PolarHBondContact O-N 2.72Å; R114-E129 HydrophobicContact CB-CB 4.16Å; R114-E129 WeakPolarHBondContact CB-OE2 3.39Å; R114-E129 IonicContact CZ-OE2 3.32Å; R114-E129 IonicContact NE-OE2 3.61Å; R114-E129 IonicContact NH1-OE2 3.09Å; R114-E129 PolarHBondContact O-N 2.92Å; R115-E129 HydrophobicContact CB-CB 4.03Å; E129-R252 PolarHBondContact O-NH1 3.24Å
130D91.6Very high95.1Very high47 Ų4720.2 Ų20.225%0.25110%0.095SC..THydrogen-bonded Turntrans-90-20.9-170.6-71.1-31.2000114.5D71 P72 G73 R114 G128 W133 R252D71-D130 WeakPolarHBondContact O-CB 3.32Å; P72-D130 PolarHBondContact O-N 3.46Å; G73-D130 WeakPolarHBondContact CA-OD2 3.42Å; R114-D130 IonicContact CZ-OD2 3.82Å; R114-D130 IonicContact NH2-OD1 3.83Å; R114-D130 IonicContact NH2-OD2 3Å; R114-D130 PolarHBondContact NH2-OD2 2.9Å; G128-D130 PolarHBondContact O-N 2.74Å; D130-W133 PolarHBondContact O-NE1 2.91Å; D130-W133 VanDerWaalsContact O-NE1 3.15Å; D130-R252 IonicContact OD1-NH1 3.2Å; D130-R252 PolarHBondContact OD1-NH1 3.2Å; D130-R252 VanDerWaalsContact OD1-NH1 3.14Å
131N94.1Very high95.1Very high1 Ų120.9 Ų20.91%0.00510%0.097CC..THydrogen-bonded Turntrans-121-0.5-177.876-13000114.6A70 N125 C126 V127 G128 W133 L134 F135A70-N131 HydrophobicContact CB-CB 3.82Å; N125-N131 PolarHBondContact ND2-ND2 3.02Å; C126-N131 PolarHBondContact O-ND2 2.99Å; C126-N131 PolarHBondContact O-OD1 3.43Å; V127-N131 WeakPolarHBondContact CA-OD1 3.49Å; G128-N131 PolarHBondContact N-OD1 3.23Å; G128-N131 PolarHBondContact O-N 3Å; G128-N131 PolarHBondContact O-OD1 3.25Å; N131-W133 PolarHBondContact O-N 3.41Å; N131-L134 HydrophobicContact CB-CD1 4.16Å; N131-L134 WeakPolarHBondContact O-CA 3.39Å; N131-L134 WeakPolarHBondContact O-CB 3.42Å; N131-L134 PolarHBondContact O-N 2.99Å; N131-F135 PolarHBondContact O-N 3.28Å; N131-F135 VanDerWaalsContact O-N 3.11Å
132H93.8Very high95.1Very high21 Ų2119.6 Ų19.610%0.0979%0.088CC..Hα-helixtrans-53.7-40.8179.5-163.4173.8000112.8V127 G128 L134 F135 L136 Q201 V236V127-H132 HydrophobicContact CG1-CB 4.2Å; G128-H132 VanDerWaalsContact O-CB 3.3Å; G128-H132 WeakPolarHBondContact O-CB 3.38Å; G128-H132 PolarHBondContact O-N 2.87Å; H132-L134 VanDerWaalsContact C-N 3.32Å; H132-L134 PolarHBondContact O-N 2.84Å; H132-F135 WeakPolarHBondContact O-CB 3.21Å; H132-F135 PolarHBondContact O-N 3.35Å; H132-L136 WeakPolarHBondContact O-CG 3.39Å; H132-L136 PolarHBondContact O-N 3.08Å; H132-L136 VanDerWaalsContact O-N 3.07Å; H132-Q201 PolarHBondContact NE2-OE1 3.45Å; H132-V236 HydrophobicContact CB-CG1 4.17Å
133W92.8Very high95.2Very high9 Ų915.4 Ų15.43%0.0347%0.074CC..Hα-helixtrans-65.1-31.6176.274.7-75.2000113.8R66 D130 N131 L136 Q137 V236 R250 R252R66-W133 VanDerWaalsContact NH2-CH2 3.26Å; D130-W133 PolarHBondContact O-NE1 2.91Å; D130-W133 VanDerWaalsContact O-NE1 3.15Å; N131-W133 PolarHBondContact O-N 3.41Å; W133-L136 PolarHBondContact O-N 3Å; W133-Q137 HydrophobicContact CE3-CG 4.39Å; W133-Q137 WeakPolarHBondContact O-CG 3.42Å; W133-Q137 PolarHBondContact O-N 2.79Å; W133-V236 HydrophobicContact CB-CG1 4.02Å; W133-R250 VanDerWaalsContact CH2-O 3.31Å; W133-R250 WeakPolarHBondContact CH2-O 3.26Å; W133-R252 HydrophobicContact CD2-CB 4.45Å; W133-R252 HydrophobicContact CZ2-CB 3.74Å
134L94.4Very high95.2Very high9 Ų918 Ų185%0.0479%0.089CC..Hα-helixtrans-70.1-38.4174.6-62.9173.5000110.8R66 A67 A70 N131 H132 L136 Q137 L138R66-L134 HydrophobicContact CB-CD1 4.3Å; R66-L134 HydrophobicContact CB-CD2 4.17Å; A67-L134 HydrophobicContact CB-CB 4.28Å; A70-L134 HydrophobicContact CB-CD1 3.43Å; A70-L134 VanDerWaalsContact CB-CD1 3.43Å; N131-L134 HydrophobicContact CB-CD1 4.16Å; N131-L134 WeakPolarHBondContact O-CA 3.39Å; N131-L134 WeakPolarHBondContact O-CB 3.42Å; N131-L134 PolarHBondContact O-N 2.99Å; H132-L134 VanDerWaalsContact C-N 3.32Å; H132-L134 PolarHBondContact O-N 2.84Å; L134-L136 VanDerWaalsContact C-N 3.31Å; L134-L136 PolarHBondContact O-N 3.45Å; L134-Q137 WeakPolarHBondContact O-CB 3.23Å; L134-Q137 PolarHBondContact O-N 3.21Å; L134-L138 PolarHBondContact O-N 2.8Å
135F95.3Very high95.2Very high7 Ų718.3 Ų18.33%0.0319%0.091CC..Hα-helixtrans-60.7-42.3173.3-175.8-108.9000111.4H118 I123 V127 N131 H132 Q137 L138 C139 Q201H118-F135 AromaticContact CE1-CE1 3.93Å; H118-F135 AromaticContact NE2-CZ 3.96Å; I123-F135 HydrophobicContact CD1-CD2 4.21Å; V127-F135 HydrophobicContact CG1-CB 4.01Å; V127-F135 HydrophobicContact CG1-CD1 4.21Å; V127-F135 HydrophobicContact CG1-CG 4.17Å; V127-F135 HydrophobicContact CG2-CB 4.12Å; V127-F135 HydrophobicContact CG2-CD1 4.24Å; V127-F135 HydrophobicContact CG2-CD2 3.82Å; V127-F135 HydrophobicContact CG2-CE2 4.29Å; V127-F135 HydrophobicContact CG2-CG 3.79Å; N131-F135 PolarHBondContact O-N 3.28Å; N131-F135 VanDerWaalsContact O-N 3.11Å; H132-F135 WeakPolarHBondContact O-CB 3.21Å; H132-F135 PolarHBondContact O-N 3.35Å; F135-Q137 PolarHBondContact O-N 3.18Å; F135-L138 WeakPolarHBondContact O-CB 3.4Å; F135-L138 PolarHBondContact O-N 3.22Å; F135-C139 PolarHBondContact O-N 3.26Å; F135-C139 PolarHBondContact O-SG 3.46Å; F135-Q201 HydrophobicContact CD1-CG 4.3Å; F135-Q201 HydrophobicContact CE1-CG 3.87Å
136L94.4Very high95.2Very high11 Ų1118.7 Ų18.76%0.0589%0.094CC..Hα-helixtrans-62.4-40.7173.6-65176.5000112.9H132 W133 L134 L138 C139 F140 F198 Q201 M202 I205 V236H132-L136 WeakPolarHBondContact O-CG 3.39Å; H132-L136 PolarHBondContact O-N 3.08Å; H132-L136 VanDerWaalsContact O-N 3.07Å; W133-L136 PolarHBondContact O-N 3Å; L134-L136 VanDerWaalsContact C-N 3.31Å; L134-L136 PolarHBondContact O-N 3.45Å; L136-L138 VanDerWaalsContact C-N 3.35Å; L136-C139 PolarHBondContact O-N 3.42Å; L136-F140 WeakPolarHBondContact O-CB 3.31Å; L136-F140 PolarHBondContact O-N 3.39Å; L136-F198 HydrophobicContact CB-CE2 4.49Å; L136-F198 HydrophobicContact CD2-CD2 4.4Å; L136-F198 HydrophobicContact CD2-CE2 4.4Å; L136-Q201 HydrophobicContact CD2-CB 3.76Å; L136-M202 HydrophobicContact CD1-CE 3.3Å; L136-M202 HydrophobicContact CD2-CE 3.38Å; L136-M202 HydrophobicContact CG-CE 3.92Å; L136-I205 HydrophobicContact CD1-CD1 3.66Å; L136-I205 HydrophobicContact CD2-CD1 4.39Å; L136-I205 HydrophobicContact CG-CD1 4.45Å; L136-V236 HydrophobicContact CD1-CG1 4.08Å
137Q94.4Very high95.2Very high3 Ų322.7 Ų22.71%0.01412%0.115CC..Hα-helixtrans-61.2-43.9174.5-73.7-171.3-25.600111.3R66 W133 L134 F135 F140 Y141 W245 L247R66-Q137 VanDerWaalsContact NH1-OE1 3.07Å; W133-Q137 HydrophobicContact CE3-CG 4.39Å; W133-Q137 WeakPolarHBondContact O-CG 3.42Å; W133-Q137 PolarHBondContact O-N 2.79Å; L134-Q137 WeakPolarHBondContact O-CB 3.23Å; L134-Q137 PolarHBondContact O-N 3.21Å; F135-Q137 PolarHBondContact O-N 3.18Å; Q137-F140 PolarHBondContact O-N 2.89Å; Q137-Y141 HydrophobicContact CB-CD2 4.4Å; Q137-Y141 HydrophobicContact CB-CE2 4.41Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.12Å; Q137-Y141 PolarHBondContact O-N 3.5Å; Q137-W245 PolarHBondContact NE2-O 2.86Å; Q137-L247 PolarHBondContact NE2-O 3.37Å
138L95.8Very high95.2Very high16 Ų1624.4 Ų24.48%0.08412%0.122CC..Hα-helixtrans-58.7-49.4175.6171.860.7000111.3A63 L64 A67 I123 L134 F135 L136 F140 Y141 T142A63-L138 HydrophobicContact CB-CB 4.16Å; A63-L138 HydrophobicContact CB-CD1 4.42Å; L64-L138 HydrophobicContact CB-CD1 3.86Å; L64-L138 HydrophobicContact CD1-CD1 4.39Å; L64-L138 HydrophobicContact CD1-CD2 4.04Å; A67-L138 HydrophobicContact CB-CD2 4.2Å; I123-L138 HydrophobicContact CG2-CD2 3.36Å; L134-L138 PolarHBondContact O-N 2.8Å; F135-L138 WeakPolarHBondContact O-CB 3.4Å; F135-L138 PolarHBondContact O-N 3.22Å; L136-L138 VanDerWaalsContact C-N 3.35Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 3.48Å; L138-Y141 PolarHBondContact O-N 2.87Å; L138-T142 WeakPolarHBondContact O-CB 3.36Å; L138-T142 PolarHBondContact O-N 3.15Å; L138-T142 PolarHBondContact O-OG1 3.45Å
139C96.3Very high95.3Very high1 Ų124.5 Ų24.51%0.00712%0.123CC..Hα-helixtrans-58.7-42.4177-69.50000111.8F135 L136 Q143 F198F135-C139 PolarHBondContact O-N 3.26Å; F135-C139 PolarHBondContact O-SG 3.46Å; L136-C139 PolarHBondContact O-N 3.42Å; C139-Q143 VanDerWaalsContact O-CG 3.32Å; C139-Q143 WeakPolarHBondContact O-CG 3.4Å; C139-Q143 PolarHBondContact O-N 3.11Å; C139-Q143 VanDerWaalsContact O-N 3.08Å; C139-Q143 PolarHBondContact O-NE2 3.06Å; C139-F198 HydrophobicContact CB-CB 4.15Å; C139-F198 HydrophobicContact CB-CD2 3.78Å; C139-F198 HydrophobicContact CB-CG 4.46Å
140F95.4Very high95.6Very high66 Ų6623.6 Ų23.629%0.28912%0.12SC..Hα-helixtrans-64.3-51.9178.7175.5-99.7000112.3L136 Q137 L138 T142 Q143 V144 F198 F246L136-F140 WeakPolarHBondContact O-CB 3.31Å; L136-F140 PolarHBondContact O-N 3.39Å; Q137-F140 PolarHBondContact O-N 2.89Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 3.48Å; F140-T142 VanDerWaalsContact C-N 3.31Å; F140-T142 PolarHBondContact O-N 2.9Å; F140-Q143 WeakPolarHBondContact O-CB 3.46Å; F140-Q143 PolarHBondContact O-N 3.22Å; F140-Q143 VanDerWaalsContact O-N 3.17Å; F140-V144 HydrophobicContact CD1-CG2 4.36Å; F140-V144 HydrophobicContact CE1-CG2 3.92Å; F140-V144 HydrophobicContact CE2-CG2 4.15Å; F140-V144 HydrophobicContact CZ-CG2 3.81Å; F140-V144 WeakPolarHBondContact O-CG2 3.26Å; F140-V144 PolarHBondContact O-N 3.47Å; F140-F198 HydrophobicContact CB-CE2 4.32Å; F140-F246 HydrophobicContact CB-CD1 4.24Å; F140-F246 HydrophobicContact CB-CE1 4.17Å; F140-F246 AromaticContact CD1-CD1 3.71Å; F140-F246 HydrophobicContact CD1-CD1 3.71Å; F140-F246 HydrophobicContact CD1-CE1 4.28Å; F140-F246 HydrophobicContact CD1-CG 4.44Å; F140-F246 HydrophobicContact CD2-CD1 4.15Å; F140-F246 AromaticContact CD2-CE1 3.9Å; F140-F246 HydrophobicContact CD2-CE1 3.9Å; F140-F246 HydrophobicContact CE1-CB 4.46Å; F140-F246 HydrophobicContact CE1-CD1 4.06Å; F140-F246 HydrophobicContact CE1-CG 4.38Å; F140-F246 HydrophobicContact CE2-CD1 4.47Å; F140-F246 HydrophobicContact CE2-CE1 4.37Å; F140-F246 AromaticContact CG-CD1 3.75Å; F140-F246 HydrophobicContact CG-CD1 3.75Å; F140-F246 AromaticContact CG-CE1 3.84Å; F140-F246 HydrophobicContact CG-CE1 3.84Å; F140-F246 HydrophobicContact CZ-CD1 4.43Å
141Y96.3Very high95.8Very high20 Ų2024.9 Ų24.98%0.07813%0.129CC..Hα-helixtrans-67.8-32.5-178.2-73.7-61.8000113L59 A63 Q137 L138 V144 L145 F246 P248L59-Y141 HydrophobicContact CB-CD1 3.91Å; L59-Y141 HydrophobicContact CB-CE1 3.89Å; L59-Y141 HydrophobicContact CB-CG 4.25Å; L59-Y141 HydrophobicContact CD1-CD1 4.36Å; L59-Y141 HydrophobicContact CD1-CE1 3.64Å; L59-Y141 HydrophobicContact CG-CE1 4.38Å; A63-Y141 HydrophobicContact CB-CD2 3.97Å; Q137-Y141 HydrophobicContact CB-CD2 4.4Å; Q137-Y141 HydrophobicContact CB-CE2 4.41Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.12Å; Q137-Y141 PolarHBondContact O-N 3.5Å; L138-Y141 PolarHBondContact O-N 2.87Å; Y141-V144 PolarHBondContact O-N 3.01Å; Y141-L145 WeakPolarHBondContact O-CB 3.32Å; Y141-L145 PolarHBondContact O-N 3.48Å; Y141-F246 PolarHBondContact OH-O 3.09Å; Y141-P248 HydrophobicContact CE2-CB 4.16Å; Y141-P248 WeakPolarHBondContact OH-CD 3.41Å
142T96.9Very high95.7Very high16 Ų1625.4 Ų25.410%0.09813%0.132CC..Hα-helixtrans-66.4-39.2173.2-50.30000110.9C60 L138 F140 S146 M190 M194C60-T142 PolarHBondContact SG-OG1 2.78Å; L138-T142 WeakPolarHBondContact O-CB 3.36Å; L138-T142 PolarHBondContact O-N 3.15Å; L138-T142 PolarHBondContact O-OG1 3.45Å; F140-T142 VanDerWaalsContact C-N 3.31Å; F140-T142 PolarHBondContact O-N 2.9Å; T142-S146 VanDerWaalsContact O-CB 3.3Å; T142-S146 WeakPolarHBondContact O-CB 3.13Å; T142-S146 PolarHBondContact O-N 3.4Å; T142-S146 PolarHBondContact O-OG 3.18Å; T142-M190 HydrophobicContact CG2-CE 4.25Å; T142-M194 HydrophobicContact CG2-CG 3.6Å; T142-M194 HydrophobicContact CG2-SD 4.27Å
143Q96.8Very high95.6Very high32 Ų3224.9 Ų24.915%0.1513%0.13CC..Hα-helixtrans-62.4-46.1172.9-77.6166.689.100111.7C139 F140 S146 L147 F191 M194 S195 F198C139-Q143 VanDerWaalsContact O-CG 3.32Å; C139-Q143 WeakPolarHBondContact O-CG 3.4Å; C139-Q143 PolarHBondContact O-N 3.11Å; C139-Q143 VanDerWaalsContact O-N 3.08Å; C139-Q143 PolarHBondContact O-NE2 3.06Å; F140-Q143 WeakPolarHBondContact O-CB 3.46Å; F140-Q143 PolarHBondContact O-N 3.22Å; F140-Q143 VanDerWaalsContact O-N 3.17Å; Q143-S146 WeakPolarHBondContact CA-OG 3.32Å; Q143-S146 PolarHBondContact O-N 3.07Å; Q143-S146 PolarHBondContact O-OG 3.22Å; Q143-S146 VanDerWaalsContact O-OG 3.09Å; Q143-L147 VanDerWaalsContact O-CB 3.23Å; Q143-L147 WeakPolarHBondContact O-CB 3.46Å; Q143-L147 PolarHBondContact O-N 2.92Å; Q143-F191 HydrophobicContact CB-CD2 4.46Å; Q143-F191 HydrophobicContact CB-CE2 4.44Å; Q143-M194 HydrophobicContact CG-CB 3.66Å; Q143-S195 PolarHBondContact OE1-OG 3.05Å; Q143-F198 VanDerWaalsContact NE2-CB 3.34Å
144V96.5Very high95.6Very high56 Ų5629.4 Ų29.434%0.33915%0.15SC..Hα-helixtrans-60.2-49178.1171.70000110.9F140 Y141 F148F140-V144 HydrophobicContact CD1-CG2 4.36Å; F140-V144 HydrophobicContact CE1-CG2 3.92Å; F140-V144 HydrophobicContact CE2-CG2 4.15Å; F140-V144 HydrophobicContact CZ-CG2 3.81Å; F140-V144 WeakPolarHBondContact O-CG2 3.26Å; F140-V144 PolarHBondContact O-N 3.47Å; Y141-V144 PolarHBondContact O-N 3.01Å; V144-F148 VanDerWaalsContact O-CB 3.32Å; V144-F148 WeakPolarHBondContact O-CB 3.45Å; V144-F148 PolarHBondContact O-N 2.98Å
145L97.4Very high95.4Very high13 Ų1330.7 Ų30.77%0.06816%0.159CC..Hα-helixtrans-65.4-43.8-179.2-177.262.4000112.2Y53 A56 C60 Y141 F148 T149Y53-L145 HydrophobicContact CD2-CD1 4.41Å; Y53-L145 HydrophobicContact CE2-CD1 3.94Å; A56-L145 HydrophobicContact CB-CD1 4.34Å; C60-L145 HydrophobicContact CB-CD2 4Å; Y141-L145 WeakPolarHBondContact O-CB 3.32Å; Y141-L145 PolarHBondContact O-N 3.48Å; L145-F148 PolarHBondContact O-N 3.42Å; L145-T149 PolarHBondContact O-N 3.38Å; L145-T149 PolarHBondContact O-OG1 3.08Å
146S97.7Very high95Very high9 Ų931.6 Ų31.66%0.06316%0.163CC..Hα-helixtrans-66.7-40.1178.652.90000112.4T142 Q143 T149 L150 F191T142-S146 VanDerWaalsContact O-CB 3.3Å; T142-S146 WeakPolarHBondContact O-CB 3.13Å; T142-S146 PolarHBondContact O-N 3.4Å; T142-S146 PolarHBondContact O-OG 3.18Å; Q143-S146 WeakPolarHBondContact CA-OG 3.32Å; Q143-S146 PolarHBondContact O-N 3.07Å; Q143-S146 PolarHBondContact O-OG 3.22Å; Q143-S146 VanDerWaalsContact O-OG 3.09Å; S146-T149 PolarHBondContact O-N 3.44Å; S146-L150 WeakPolarHBondContact O-CB 3.47Å; S146-L150 VanDerWaalsContact O-CG 3.3Å; S146-L150 WeakPolarHBondContact O-CG 3.34Å; S146-L150 PolarHBondContact O-N 3.17Å; S146-F191 WeakPolarHBondContact OG-CA 3.38Å
147L97.9Very high94.5Very high83 Ų8337.9 Ų37.944%0.43519%0.187SC..Hα-helixtrans-63.2-42.6172.8-178.160.4000111.4Q143 L150 V151 F191Q143-L147 VanDerWaalsContact O-CB 3.23Å; Q143-L147 WeakPolarHBondContact O-CB 3.46Å; Q143-L147 PolarHBondContact O-N 2.92Å; L147-L150 PolarHBondContact O-N 2.88Å; L147-V151 HydrophobicContact CD1-CG2 4.33Å; L147-V151 WeakPolarHBondContact O-CG2 3.46Å; L147-V151 PolarHBondContact O-N 2.88Å; L147-F191 HydrophobicContact CB-CD2 3.91Å; L147-F191 HydrophobicContact CB-CE2 3.81Å; L147-F191 HydrophobicContact CD1-CE2 4.23Å; L147-F191 HydrophobicContact CD1-CZ 4.37Å; L147-F191 HydrophobicContact CD2-CE2 4.29Å; L147-F191 HydrophobicContact CG-CE2 4.33Å
148F96.9Very high94.1Very high37 Ų3744.9 Ų44.916%0.16222%0.215CC..Hα-helixtrans-60.1-50.1176.9-160.1163000110.4L49 C52 Y53 V144 L145 L150 V151 L152L49-F148 HydrophobicContact CD1-CE2 3.77Å; L49-F148 HydrophobicContact CD1-CZ 3.5Å; L49-F148 HydrophobicContact CG-CE2 4.12Å; L49-F148 HydrophobicContact CG-CZ 3.93Å; C52-F148 HydrophobicContact CB-CE1 4.11Å; C52-F148 HydrophobicContact CB-CZ 4.46Å; Y53-F148 HydrophobicContact CD2-CD1 4.07Å; Y53-F148 HydrophobicContact CD2-CD2 4.21Å; Y53-F148 HydrophobicContact CD2-CE1 4.24Å; Y53-F148 HydrophobicContact CD2-CE2 4.35Å; Y53-F148 HydrophobicContact CD2-CG 4.06Å; Y53-F148 HydrophobicContact CD2-CZ 4.36Å; V144-F148 VanDerWaalsContact O-CB 3.32Å; V144-F148 WeakPolarHBondContact O-CB 3.45Å; V144-F148 PolarHBondContact O-N 2.98Å; L145-F148 PolarHBondContact O-N 3.42Å; F148-L150 VanDerWaalsContact C-N 3.35Å; F148-L150 PolarHBondContact O-N 2.83Å; F148-V151 PolarHBondContact O-N 3.38Å; F148-L152 HydrophobicContact CD2-CD1 3.81Å; F148-L152 HydrophobicContact CD2-CG 3.91Å; F148-L152 HydrophobicContact CE2-CD1 3.85Å; F148-L152 HydrophobicContact CE2-CD2 4.17Å; F148-L152 HydrophobicContact CE2-CG 4.01Å; F148-L152 WeakPolarHBondContact O-CG 3.32Å; F148-L152 PolarHBondContact O-N 2.9Å
149T96Very high93.3Very high2 Ų252.1 Ų52.11%0.01224%0.242CC..Hα-helixtrans-57-45.8174.7-65.30000112.1V31 Y53 L145 S146 V151 L152 D153 S183V31-T149 HydrophobicContact CG1-CG2 4.46Å; V31-T149 HydrophobicContact CG2-CG2 3.74Å; Y53-T149 PolarHBondContact OH-OG1 2.96Å; L145-T149 PolarHBondContact O-N 3.38Å; L145-T149 PolarHBondContact O-OG1 3.08Å; S146-T149 PolarHBondContact O-N 3.44Å; T149-V151 VanDerWaalsContact C-N 3.34Å; T149-V151 PolarHBondContact O-N 2.73Å; T149-L152 WeakPolarHBondContact O-CB 3.18Å; T149-L152 PolarHBondContact O-N 3.25Å; T149-L152 VanDerWaalsContact O-N 3.16Å; T149-D153 PolarHBondContact O-N 3.42Å; T149-S183 VanDerWaalsContact CG2-OG 3.29Å; T149-S183 WeakPolarHBondContact CG2-OG 3.22Å
150L96.4Very high92.3Very high36 Ų3654.3 Ų54.319%0.18825%0.252CS..Hα-helixtrans-61.4-40.4179.5-77.6172.6000113.1S146 L147 F148 F154 V188 F191S146-L150 WeakPolarHBondContact O-CB 3.47Å; S146-L150 VanDerWaalsContact O-CG 3.3Å; S146-L150 WeakPolarHBondContact O-CG 3.34Å; S146-L150 PolarHBondContact O-N 3.17Å; L147-L150 PolarHBondContact O-N 2.88Å; F148-L150 VanDerWaalsContact C-N 3.35Å; F148-L150 PolarHBondContact O-N 2.83Å; L150-F154 VanDerWaalsContact O-CB 3.25Å; L150-F154 WeakPolarHBondContact O-CB 3.44Å; L150-F154 PolarHBondContact O-N 3.3Å; L150-V188 HydrophobicContact CD1-CG2 4.47Å; L150-V188 HydrophobicContact CD2-CG2 3.75Å; L150-F191 HydrophobicContact CD1-CB 3.94Å; L150-F191 HydrophobicContact CD1-CG 4.33Å
151V95.3Very high90.7Very high75 Ų7559 Ų5946%0.45527%0.274SS..Hα-helixtrans-65.5-41.4175.8170.90000110.4L147 F148 T149 F154 C155L147-V151 HydrophobicContact CD1-CG2 4.33Å; L147-V151 WeakPolarHBondContact O-CG2 3.46Å; L147-V151 PolarHBondContact O-N 2.88Å; F148-V151 PolarHBondContact O-N 3.38Å; T149-V151 VanDerWaalsContact C-N 3.34Å; T149-V151 PolarHBondContact O-N 2.73Å; V151-F154 PolarHBondContact O-N 3.09Å; V151-C155 WeakPolarHBondContact O-CB 3.41Å; V151-C155 PolarHBondContact O-N 3.33Å; V151-C155 PolarHBondContact O-SG 3.14Å
152L93Very high89.1Confident11 Ų1161.8 Ų61.86%0.05830%0.295CS..Hα-helixtrans-63.5-46.7176.2-69.6174000111.9V31 V35 L36 L49 Y53 F148 T149 F154 C155 Q156V31-L152 HydrophobicContact CG1-CB 4.41Å; V31-L152 HydrophobicContact CG1-CD1 3.84Å; V35-L152 HydrophobicContact CG1-CB 4.19Å; V35-L152 HydrophobicContact CG1-CD2 4.46Å; L36-L152 HydrophobicContact CD1-CD1 3.93Å; L36-L152 HydrophobicContact CD2-CD1 3.86Å; L36-L152 HydrophobicContact CD2-CD2 3.7Å; L36-L152 HydrophobicContact CD2-CG 4.46Å; L36-L152 HydrophobicContact CG-CD1 3.87Å; L36-L152 HydrophobicContact CG-CD2 4.41Å; L49-L152 HydrophobicContact CD2-CD2 4.42Å; Y53-L152 HydrophobicContact CD2-CD1 3.82Å; Y53-L152 HydrophobicContact CE2-CD1 4.01Å; F148-L152 HydrophobicContact CD2-CD1 3.81Å; F148-L152 HydrophobicContact CD2-CG 3.91Å; F148-L152 HydrophobicContact CE2-CD1 3.85Å; F148-L152 HydrophobicContact CE2-CD2 4.17Å; F148-L152 HydrophobicContact CE2-CG 4.01Å; F148-L152 WeakPolarHBondContact O-CG 3.32Å; F148-L152 PolarHBondContact O-N 2.9Å; T149-L152 WeakPolarHBondContact O-CB 3.18Å; T149-L152 PolarHBondContact O-N 3.25Å; T149-L152 VanDerWaalsContact O-N 3.16Å; L152-F154 VanDerWaalsContact C-N 3.31Å; L152-F154 PolarHBondContact O-N 3.19Å; L152-C155 PolarHBondContact O-N 3.42Å; L152-Q156 WeakPolarHBondContact O-CB 3.24Å; L152-Q156 PolarHBondContact O-N 2.94Å
153D92.3Very high87.1Confident11 Ų1165.1 Ų65.16%0.05931%0.312CS..Hα-helixtrans-62.5-39.5177.6-72.4-15.8000111.2T149 Q156 Y157 S183 A184T149-D153 PolarHBondContact O-N 3.42Å; D153-Q156 PolarHBondContact O-N 3.45Å; D153-Y157 WeakPolarHBondContact O-CB 3.17Å; D153-Y157 PolarHBondContact O-N 2.82Å; D153-S183 VanDerWaalsContact OD2-CB 3.31Å; D153-S183 WeakPolarHBondContact OD2-CB 3.5Å; D153-S183 PolarHBondContact OD2-OG 2.69Å; D153-A184 HydrophobicContact CB-CB 4.39Å; D153-A184 WeakPolarHBondContact OD2-CA 3.36Å; D153-A184 PolarHBondContact OD2-N 2.93Å; D153-A184 VanDerWaalsContact OD2-N 3.16Å
154F91.9Very high85.2Confident103 Ų10368 Ų6845%0.45233%0.332SS..Hα-helixtrans-64.1-47.2174.4179.6-98.5000111.8L150 V151 L152 Q156 Y157 Y158 Y159L150-F154 VanDerWaalsContact O-CB 3.25Å; L150-F154 WeakPolarHBondContact O-CB 3.44Å; L150-F154 PolarHBondContact O-N 3.3Å; V151-F154 PolarHBondContact O-N 3.09Å; L152-F154 VanDerWaalsContact C-N 3.31Å; L152-F154 PolarHBondContact O-N 3.19Å; F154-Q156 VanDerWaalsContact C-N 3.34Å; F154-Q156 PolarHBondContact O-N 2.88Å; F154-Y157 PolarHBondContact O-N 3.39Å; F154-Y158 HydrophobicContact CD1-CD2 4.47Å; F154-Y158 AromaticContact CD2-CD2 3.36Å; F154-Y158 HydrophobicContact CD2-CD2 3.36Å; F154-Y158 AromaticContact CD2-CE2 3.42Å; F154-Y158 HydrophobicContact CD2-CE2 3.42Å; F154-Y158 VanDerWaalsContact CD2-CE2 3.42Å; F154-Y158 HydrophobicContact CE1-CD2 4.44Å; F154-Y158 AromaticContact CE2-CD2 3.28Å; F154-Y158 HydrophobicContact CE2-CD2 3.28Å; F154-Y158 AromaticContact CE2-CE2 3.33Å; F154-Y158 HydrophobicContact CE2-CE2 3.33Å; F154-Y158 HydrophobicContact CE2-CG 4.22Å; F154-Y158 AromaticContact CG-CD2 3.97Å; F154-Y158 HydrophobicContact CG-CD2 3.97Å; F154-Y158 HydrophobicContact CG-CE2 4.42Å; F154-Y158 AromaticContact CZ-CD2 3.87Å; F154-Y158 HydrophobicContact CZ-CD2 3.87Å; F154-Y158 HydrophobicContact CZ-CE2 4.29Å; F154-Y158 HydrophobicContact CZ-CG 4.45Å; F154-Y158 WeakPolarHBondContact O-CD2 3.42Å; F154-Y158 PolarHBondContact O-N 3.06Å; F154-Y159 HydrophobicContact CD1-CE2 4.2Å; F154-Y159 HydrophobicContact CE1-CD2 4.47Å; F154-Y159 AromaticContact CE1-CE2 3.62Å; F154-Y159 HydrophobicContact CE1-CE2 3.62Å; F154-Y159 HydrophobicContact CZ-CE2 4.33Å
155C90Very high82.9Confident36 Ų3676.9 Ų76.924%0.24336%0.359CS..Hα-helixtrans-60.6-43.5176.5-71.70000111.9V151 L152 Y157 Y159 F160V151-C155 WeakPolarHBondContact O-CB 3.41Å; V151-C155 PolarHBondContact O-N 3.33Å; V151-C155 PolarHBondContact O-SG 3.14Å; L152-C155 PolarHBondContact O-N 3.42Å; C155-Y157 VanDerWaalsContact C-N 3.3Å; C155-Y157 PolarHBondContact O-N 2.94Å; C155-Y159 PolarHBondContact O-N 3.46Å; C155-F160 HydrophobicContact CB-CD2 4.25Å; C155-F160 HydrophobicContact CB-CE2 3.8Å; C155-F160 HydrophobicContact CB-CZ 4.49Å; C155-F160 PolarHBondContact O-N 2.99Å
156Q87Confident80.7Confident26 Ų2683 Ų8312%0.12139%0.392CS..Hα-helixtrans-58.6-40.6174.7-171.964.318.600112.8V35 H39 L152 D153 F154 L180V35-Q156 HydrophobicContact CG1-CB 4.18Å; V35-Q156 HydrophobicContact CG2-CB 4.11Å; V35-Q156 HydrophobicContact CG2-CG 4.02Å; H39-Q156 PolarHBondContact CD2-OE1 3.15Å; H39-Q156 PolarHBondContact NE2-OE1 2.94Å; L152-Q156 WeakPolarHBondContact O-CB 3.24Å; L152-Q156 PolarHBondContact O-N 2.94Å; D153-Q156 PolarHBondContact O-N 3.45Å; F154-Q156 VanDerWaalsContact C-N 3.34Å; F154-Q156 PolarHBondContact O-N 2.88Å; Q156-L180 HydrophobicContact CG-CD1 3.67Å; Q156-L180 HydrophobicContact CG-CD2 4.44Å
157Y85.3Confident78.5Confident143 Ų14390.8 Ų90.856%0.56143%0.432SS*.Hα-helixtrans-77.5-36.8-176.1-169.4-92.7000113.2D153 F154 C155 L177D153-Y157 WeakPolarHBondContact O-CB 3.17Å; D153-Y157 PolarHBondContact O-N 2.82Å; F154-Y157 PolarHBondContact O-N 3.39Å; C155-Y157 VanDerWaalsContact C-N 3.3Å; C155-Y157 PolarHBondContact O-N 2.94Å; Y157-L177 HydrophobicContact CD2-CD1 4.43Å; Y157-L177 HydrophobicContact CE2-CD1 4.37Å
158Y84.3Confident76.6Confident151 Ų15192 Ų9259%0.59244%0.436SS*.Hα-helixtrans-108.6-29-169-70.6-74.7000115.5F154F154-Y158 HydrophobicContact CD1-CD2 4.47Å; F154-Y158 AromaticContact CD2-CD2 3.36Å; F154-Y158 HydrophobicContact CD2-CD2 3.36Å; F154-Y158 AromaticContact CD2-CE2 3.42Å; F154-Y158 HydrophobicContact CD2-CE2 3.42Å; F154-Y158 VanDerWaalsContact CD2-CE2 3.42Å; F154-Y158 HydrophobicContact CE1-CD2 4.44Å; F154-Y158 AromaticContact CE2-CD2 3.28Å; F154-Y158 HydrophobicContact CE2-CD2 3.28Å; F154-Y158 AromaticContact CE2-CE2 3.33Å; F154-Y158 HydrophobicContact CE2-CE2 3.33Å; F154-Y158 HydrophobicContact CE2-CG 4.22Å; F154-Y158 AromaticContact CG-CD2 3.97Å; F154-Y158 HydrophobicContact CG-CD2 3.97Å; F154-Y158 HydrophobicContact CG-CE2 4.42Å; F154-Y158 AromaticContact CZ-CD2 3.87Å; F154-Y158 HydrophobicContact CZ-CD2 3.87Å; F154-Y158 HydrophobicContact CZ-CE2 4.29Å; F154-Y158 HydrophobicContact CZ-CG 4.45Å; F154-Y158 WeakPolarHBondContact O-CD2 3.42Å; F154-Y158 PolarHBondContact O-N 3.06Å
159Y80.7Confident75.2Confident167 Ų16797.1 Ų97.166%0.65546%0.46SS*.THydrogen-bonded Turntrans-113.9-36.6-170.1-67.1-87.4000113F154 C155F154-Y159 HydrophobicContact CD1-CE2 4.2Å; F154-Y159 HydrophobicContact CE1-CD2 4.47Å; F154-Y159 AromaticContact CE1-CE2 3.62Å; F154-Y159 HydrophobicContact CE1-CE2 3.62Å; F154-Y159 HydrophobicContact CZ-CE2 4.33Å; C155-Y159 PolarHBondContact O-N 3.46Å
160F73.8Confident74Confident48 Ų48105 Ų10521%0.21149%0.494CS..SBendtrans-78.9127.8178.4-63.1-47.7000110.3H39 H44 I45 C155H39-F160 AromaticContact CD2-CD2 3.35Å; H39-F160 WeakPolarHBondContact CD2-CD2 3.15Å; H39-F160 AromaticContact CD2-CE2 3.53Å; H39-F160 AromaticContact CD2-CG 3.71Å; H39-F160 AromaticContact CE1-CD1 3.67Å; H39-F160 AromaticContact CE1-CD2 3.9Å; H39-F160 AromaticContact CE1-CG 3.43Å; H39-F160 VanDerWaalsContact CE1-CG 3.43Å; H39-F160 WeakPolarHBondContact CE1-CG 3.13Å; H39-F160 VanDerWaalsContact NE2-CB 3.35Å; H39-F160 WeakPolarHBondContact NE2-CB 3.35Å; H39-F160 AromaticContact NE2-CD1 3.77Å; H39-F160 AromaticContact NE2-CD2 3.15Å; H39-F160 WeakPolarHBondContact NE2-CD2 3.22Å; H39-F160 AromaticContact NE2-CE2 3.85Å; H39-F160 AromaticContact NE2-CG 3.13Å; H39-F160 WeakPolarHBondContact NE2-CG 3.04Å; H44-F160 HydrophobicContact CB-CE1 4.34Å; I45-F160 HydrophobicContact CG2-CZ 4.29Å; C155-F160 HydrophobicContact CB-CD2 4.25Å; C155-F160 HydrophobicContact CB-CE2 3.8Å; C155-F160 HydrophobicContact CB-CZ 4.49Å; C155-F160 PolarHBondContact O-N 2.99Å
161Q62.6Low72.8Confident163 Ų163109.5 Ų109.576%0.76251%0.512SS*.PPolyproline II helixtrans-58.5133.6171.6-71.6-93.7-44.700107.3L163Q161-L163 PolarHBondContact O-N 3.21Å
162P62.3Low71.9Confident80 Ų80108 Ų10852%0.51950%0.504SS..PPolyproline II helixtrans-57138.5172.727.1-33.6000107.5T164P162-T164 HydrophobicContact CB-CG2 3.73Å; P162-T164 HydrophobicContact CG-CG2 3.81Å; P162-T164 PolarHBondContact O-N 3.08Å; P162-T164 PolarHBondContact O-OG1 2.95Å
163L56.3Low71.2Confident85 Ų85110.4 Ų110.445%0.44552%0.519SS..SBendtrans-66.657.6179.9-76150.3000110.7P38 E42 Q161 R165P38-L163 HydrophobicContact CB-CD1 4.3Å; E42-L163 WeakPolarHBondContact OE1-CD2 3.49Å; Q161-L163 PolarHBondContact O-N 3.21Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 3.21Å
164T54.8Low70.6Confident92 Ų92118.6 Ų118.656%0.56455%0.549SS*.  trans-93.223-167.544.40000113P162 L166P162-T164 HydrophobicContact CB-CG2 3.73Å; P162-T164 HydrophobicContact CG-CG2 3.81Å; P162-T164 PolarHBondContact O-N 3.08Å; P162-T164 PolarHBondContact O-OG1 2.95Å; T164-L166 VanDerWaalsContact C-N 3.28Å; T164-L166 PolarHBondContact O-N 3.32Å
165R48.7Very low70.2Confident243 Ų243118 Ų11892%0.91755%0.547SS*.SBendtrans-75.4-6.7-171.8-96.9-163.5175.6175.12.1116.3L163L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 3.21Å
166L51.5Low70.1Confident143 Ų143119.7 Ų119.775%0.74955%0.552SS**SBendtrans-144.9165176.4-74.9164.5000109.5T164 Q168T164-L166 VanDerWaalsContact C-N 3.28Å; T164-L166 PolarHBondContact O-N 3.32Å; L166-Q168 PolarHBondContact O-N 3.41Å
167D51.3Low70Confident171 Ų171121.4 Ų121.491%0.91456%0.561SS**  trans-57.252.2164.9-83.5-45.4000112.2E169D167-E169 PolarHBondContact O-N 3.31Å
168Q59Low70.2Confident109 Ų109116.9 Ų116.951%0.50955%0.553SS.*  trans-59.3119.3165.4-150.593.8-7.700105.2L166 K170 T172L166-Q168 PolarHBondContact O-N 3.41Å; Q168-K170 PolarHBondContact O-N 3.22Å; Q168-K170 VanDerWaalsContact O-N 3.08Å; Q168-T172 VanDerWaalsContact CG-OG1 3.22Å; Q168-T172 WeakPolarHBondContact CG-OG1 3.36Å
169E66.6Low70.6Confident145 Ų145112.1 Ų112.168%0.67854%0.538SS*.  trans-47.7124.8-173.1-65.1-154.815500109.6D167 F171 T172D167-E169 PolarHBondContact O-N 3.31Å; E169-F171 HydrophobicContact CB-CB 4.34Å; E169-F171 CarbonylContact O-C 3.59Å; E169-F171 WeakPolarHBondContact O-CA 3.31Å; E169-F171 PolarHBondContact O-N 3.42Å; E169-T172 PolarHBondContact O-N 3.29Å; E169-T172 PolarHBondContact O-OG1 2.99Å
170K70.4Confident71.1Confident168 Ų168105.3 Ų105.373%0.7351%0.513SS*.Hα-helixtrans-44.2-26.6-179.3-70.7174.1179.4170.30113.4Q168 R174Q168-K170 PolarHBondContact O-N 3.22Å; Q168-K170 VanDerWaalsContact O-N 3.08Å; K170-R174 WeakPolarHBondContact O-CB 3.14Å; K170-R174 WeakPolarHBondContact O-CD 3.44Å; K170-R174 WeakPolarHBondContact O-CG 3.25Å; K170-R174 PolarHBondContact O-N 2.83Å
171F71.5Confident72Confident129 Ų129110.3 Ų110.357%0.56653%0.53SS*.Hα-helixtrans-51.9-59.5167.3-173-93.9000113E169 T173 R174 H175E169-F171 HydrophobicContact CB-CB 4.34Å; E169-F171 CarbonylContact O-C 3.59Å; E169-F171 WeakPolarHBondContact O-CA 3.31Å; E169-F171 PolarHBondContact O-N 3.42Å; F171-T173 PolarHBondContact O-N 2.83Å; F171-R174 WeakPolarHBondContact O-CB 3.36Å; F171-R174 PolarHBondContact O-N 3.25Å; F171-R174 VanDerWaalsContact O-N 3.14Å; F171-H175 AromaticContact CD1-CE1 3.7Å; F171-H175 AromaticContact CD1-ND1 3.55Å; F171-H175 AromaticContact CD2-CE1 3.28Å; F171-H175 WeakPolarHBondContact CD2-CE1 3.46Å; F171-H175 AromaticContact CD2-ND1 3.8Å; F171-H175 AromaticContact CE1-CE1 3.41Å; F171-H175 VanDerWaalsContact CE1-CE1 3.41Å; F171-H175 WeakPolarHBondContact CE1-CE1 3.25Å; F171-H175 AromaticContact CE1-ND1 3.55Å; F171-H175 AromaticContact CE1-NE2 3.74Å; F171-H175 AromaticContact CE2-CE1 2.98Å; F171-H175 WeakPolarHBondContact CE2-CE1 3.27Å; F171-H175 AromaticContact CE2-ND1 3.83Å; F171-H175 AromaticContact CE2-NE2 3.52Å; F171-H175 AromaticContact CG-CE1 3.64Å; F171-H175 AromaticContact CG-ND1 3.67Å; F171-H175 AromaticContact CZ-CE1 3.04Å; F171-H175 WeakPolarHBondContact CZ-CE1 3.42Å; F171-H175 AromaticContact CZ-ND1 3.7Å; F171-H175 AromaticContact CZ-NE2 3.22Å; F171-H175 WeakPolarHBondContact CZ-NE2 3.43Å; F171-H175 PolarHBondContact O-N 2.93Å; F171-H175 PolarHBondContact O-ND1 3.33Å
172T77Confident73.5Confident45 Ų45105.5 Ų105.528%0.27651%0.512SS..Hα-helixtrans-59.8-46.2-174.159.60000112.1Q168 E169 R174 H175 E176Q168-T172 VanDerWaalsContact CG-OG1 3.22Å; Q168-T172 WeakPolarHBondContact CG-OG1 3.36Å; E169-T172 PolarHBondContact O-N 3.29Å; E169-T172 PolarHBondContact O-OG1 2.99Å; T172-R174 VanDerWaalsContact C-N 3.32Å; T172-R174 PolarHBondContact O-N 3.08Å; T172-H175 WeakPolarHBondContact O-CB 3.4Å; T172-H175 PolarHBondContact O-N 3.03Å; T172-E176 WeakPolarHBondContact O-CG 3.48Å; T172-E176 PolarHBondContact O-N 3.37Å
173T77.3Confident75.1Confident61 Ų61101.9 Ų101.937%0.37449%0.488SS..Hα-helixtrans-61.3-39.2177.6-50.90000112.1F171 H175 L177F171-T173 PolarHBondContact O-N 2.83Å; T173-H175 VanDerWaalsContact C-N 3.34Å; T173-L177 WeakPolarHBondContact O-CB 3.49Å; T173-L177 PolarHBondContact O-N 2.66Å
174R79.8Confident76.9Confident182 Ų18299.3 Ų99.369%0.68748%0.479SS*.Hα-helixtrans-65.7-37.7175-74.8173.9-179.4-171.50.2112K170 F171 T172 A178K170-R174 WeakPolarHBondContact O-CB 3.14Å; K170-R174 WeakPolarHBondContact O-CD 3.44Å; K170-R174 WeakPolarHBondContact O-CG 3.25Å; K170-R174 PolarHBondContact O-N 2.83Å; F171-R174 WeakPolarHBondContact O-CB 3.36Å; F171-R174 PolarHBondContact O-N 3.25Å; F171-R174 VanDerWaalsContact O-N 3.14Å; T172-R174 VanDerWaalsContact C-N 3.32Å; T172-R174 PolarHBondContact O-N 3.08Å; R174-A178 WeakPolarHBondContact O-CB 3.41Å; R174-A178 PolarHBondContact O-N 3.39Å
175H85.3Confident78.9Confident90 Ų90100.5 Ų100.542%0.41748%0.482SS..Hα-helixtrans-68.7-45.8178.1-74.569.7000111.4F171 T172 T173 L177 A178 L179F171-H175 AromaticContact CD1-CE1 3.7Å; F171-H175 AromaticContact CD1-ND1 3.55Å; F171-H175 AromaticContact CD2-CE1 3.28Å; F171-H175 WeakPolarHBondContact CD2-CE1 3.46Å; F171-H175 AromaticContact CD2-ND1 3.8Å; F171-H175 AromaticContact CE1-CE1 3.41Å; F171-H175 VanDerWaalsContact CE1-CE1 3.41Å; F171-H175 WeakPolarHBondContact CE1-CE1 3.25Å; F171-H175 AromaticContact CE1-ND1 3.55Å; F171-H175 AromaticContact CE1-NE2 3.74Å; F171-H175 AromaticContact CE2-CE1 2.98Å; F171-H175 WeakPolarHBondContact CE2-CE1 3.27Å; F171-H175 AromaticContact CE2-ND1 3.83Å; F171-H175 AromaticContact CE2-NE2 3.52Å; F171-H175 AromaticContact CG-CE1 3.64Å; F171-H175 AromaticContact CG-ND1 3.67Å; F171-H175 AromaticContact CZ-CE1 3.04Å; F171-H175 WeakPolarHBondContact CZ-CE1 3.42Å; F171-H175 AromaticContact CZ-ND1 3.7Å; F171-H175 AromaticContact CZ-NE2 3.22Å; F171-H175 WeakPolarHBondContact CZ-NE2 3.43Å; F171-H175 PolarHBondContact O-N 2.93Å; F171-H175 PolarHBondContact O-ND1 3.33Å; T172-H175 WeakPolarHBondContact O-CB 3.4Å; T172-H175 PolarHBondContact O-N 3.03Å; T173-H175 VanDerWaalsContact C-N 3.34Å; H175-L177 VanDerWaalsContact C-N 3.34Å; H175-L177 PolarHBondContact O-N 3.26Å; H175-A178 WeakPolarHBondContact O-CB 3.33Å; H175-A178 PolarHBondContact O-N 2.87Å; H175-A178 VanDerWaalsContact O-N 3.15Å; H175-L179 WeakPolarHBondContact O-CG 3.45Å; H175-L179 PolarHBondContact O-N 3.14Å
176E85.8Confident81.1Confident73 Ų7391.4 Ų91.434%0.34145%0.45SS..Hα-helixtrans-60.1-44.7176.5-69.2171.8174.400111.4L34 T172 A178 L179 L180L34-E176 HydrophobicContact CD2-CB 4.44Å; L34-E176 HydrophobicContact CD2-CG 3.9Å; T172-E176 WeakPolarHBondContact O-CG 3.48Å; T172-E176 PolarHBondContact O-N 3.37Å; E176-A178 VanDerWaalsContact C-N 3.32Å; E176-A178 PolarHBondContact O-N 3.47Å; E176-L179 PolarHBondContact O-N 3.27Å; E176-L180 WeakPolarHBondContact O-CG 3.45Å; E176-L180 PolarHBondContact O-N 3.29Å
177L86.7Confident83.2Confident61 Ų6184.8 Ų84.832%0.31942%0.417SS..Hα-helixtrans-63.3-37.6175.3-175.561.8000112.3Y157 T173 H175 L180 R181Y157-L177 HydrophobicContact CD2-CD1 4.43Å; Y157-L177 HydrophobicContact CE2-CD1 4.37Å; T173-L177 WeakPolarHBondContact O-CB 3.49Å; T173-L177 PolarHBondContact O-N 2.66Å; H175-L177 VanDerWaalsContact C-N 3.34Å; H175-L177 PolarHBondContact O-N 3.26Å; L177-L180 PolarHBondContact O-N 3.45Å; L177-R181 VanDerWaalsContact O-CG 3.27Å; L177-R181 WeakPolarHBondContact O-CG 3.3Å; L177-R181 PolarHBondContact O-N 2.84Å
178A89.1Confident85.4Confident48 Ų4880.9 Ų80.940%0.39740%0.399SS..Hα-helixtrans-64.1-43.1174.600000111.5R174 H175 E176 L180 R181 V182R174-A178 WeakPolarHBondContact O-CB 3.41Å; R174-A178 PolarHBondContact O-N 3.39Å; H175-A178 WeakPolarHBondContact O-CB 3.33Å; H175-A178 PolarHBondContact O-N 2.87Å; H175-A178 VanDerWaalsContact O-N 3.15Å; E176-A178 VanDerWaalsContact C-N 3.32Å; E176-A178 PolarHBondContact O-N 3.47Å; A178-L180 PolarHBondContact O-N 3.23Å; A178-R181 PolarHBondContact O-N 2.76Å; A178-V182 WeakPolarHBondContact O-CG2 3.38Å; A178-V182 PolarHBondContact O-N 2.81Å
179L92.1Very high87.2Confident51 Ų5180.2 Ų80.227%0.26740%0.402SS..Hα-helixtrans-62.6-41.3176.6-68.5170.5000112.1Y26 F30 L34 H175 E176 V182 S183Y26-L179 HydrophobicContact CE2-CD2 4.02Å; Y26-L179 VanDerWaalsContact OH-CA 3.29Å; Y26-L179 WeakPolarHBondContact OH-CA 3.17Å; Y26-L179 WeakPolarHBondContact OH-CD2 3.42Å; Y26-L179 PolarHBondContact OH-O 3.04Å; F30-L179 HydrophobicContact CD1-CD1 4.05Å; F30-L179 HydrophobicContact CE1-CD1 4.1Å; L34-L179 HydrophobicContact CD1-CB 3.86Å; L34-L179 HydrophobicContact CD1-CD1 4.07Å; H175-L179 WeakPolarHBondContact O-CG 3.45Å; H175-L179 PolarHBondContact O-N 3.14Å; E176-L179 PolarHBondContact O-N 3.27Å; L179-V182 PolarHBondContact O-N 2.9Å; L179-S183 WeakPolarHBondContact O-CB 3.32Å; L179-S183 PolarHBondContact O-N 3.24Å
180L91.1Very high88.6Confident25 Ų2575.3 Ų75.313%0.13138%0.38CS..Hα-helixtrans-65.3-39.5175.2-71170.7000112.2L34 V35 Q156 E176 L177 A178 V182 S183 A184L34-L180 HydrophobicContact CB-CD2 4.43Å; L34-L180 HydrophobicContact CD1-CG 4.49Å; V35-L180 HydrophobicContact CG2-CD2 3.67Å; Q156-L180 HydrophobicContact CG-CD1 3.67Å; Q156-L180 HydrophobicContact CG-CD2 4.44Å; E176-L180 WeakPolarHBondContact O-CG 3.45Å; E176-L180 PolarHBondContact O-N 3.29Å; L177-L180 PolarHBondContact O-N 3.45Å; A178-L180 PolarHBondContact O-N 3.23Å; L180-V182 PolarHBondContact O-N 3.44Å; L180-S183 WeakPolarHBondContact O-CB 3.18Å; L180-S183 PolarHBondContact O-N 2.91Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 3.04Å
181R92.4Very high89.9Confident152 Ų15270.6 Ų70.657%0.57436%0.359SS*.Hα-helixtrans-64.6-39.7175.3-72.7169.6-178.3-179.40.2112.3L177 A178 A184 L185L177-R181 VanDerWaalsContact O-CG 3.27Å; L177-R181 WeakPolarHBondContact O-CG 3.3Å; L177-R181 PolarHBondContact O-N 2.84Å; A178-R181 PolarHBondContact O-N 2.76Å; R181-A184 PolarHBondContact O-N 3.4Å; R181-L185 WeakPolarHBondContact O-CB 3.28Å; R181-L185 PolarHBondContact O-N 3.2Å
182V95.1Very high91.1Very high63 Ų6366 Ų6638%0.38235%0.348SS..Hα-helixtrans-64.3-43.9174.1171.40000110.5Y26 A178 L179 L180 L185 M186Y26-V182 HydrophobicContact CE1-CG1 4.34Å; A178-V182 WeakPolarHBondContact O-CG2 3.38Å; A178-V182 PolarHBondContact O-N 2.81Å; L179-V182 PolarHBondContact O-N 2.9Å; L180-V182 PolarHBondContact O-N 3.44Å; V182-L185 PolarHBondContact O-N 3Å; V182-M186 HydrophobicContact CG1-CE 3.53Å; V182-M186 HydrophobicContact CG1-SD 4.15Å; V182-M186 VanDerWaalsContact O-CG 3.31Å; V182-M186 WeakPolarHBondContact O-CG 3.37Å; V182-M186 PolarHBondContact O-N 3.42Å
183S95.1Very high91.9Very high3 Ų365.3 Ų65.32%0.02135%0.35CS..Hα-helixtrans-56.5-51.4173.9177.90000111.6N27 V31 T149 D153 L179 L180 L185 M186 G187N27-S183 PolarHBondContact OD1-OG 2.93Å; V31-S183 WeakPolarHBondContact CG2-OG 3.35Å; T149-S183 VanDerWaalsContact CG2-OG 3.29Å; T149-S183 WeakPolarHBondContact CG2-OG 3.22Å; D153-S183 VanDerWaalsContact OD2-CB 3.31Å; D153-S183 WeakPolarHBondContact OD2-CB 3.5Å; D153-S183 PolarHBondContact OD2-OG 2.69Å; L179-S183 WeakPolarHBondContact O-CB 3.32Å; L179-S183 PolarHBondContact O-N 3.24Å; L180-S183 WeakPolarHBondContact O-CB 3.18Å; L180-S183 PolarHBondContact O-N 2.91Å; S183-L185 PolarHBondContact O-N 3.12Å; S183-M186 WeakPolarHBondContact O-CB 3.4Å; S183-M186 PolarHBondContact O-N 2.96Å; S183-G187 PolarHBondContact O-N 3.28Å
184A95.1Very high92.8Very high31 Ų3164.1 Ų64.126%0.25634%0.341SS..Hα-helixtrans-61.1-42.4179.900000112.3D153 L180 R181 G187 V188D153-A184 HydrophobicContact CB-CB 4.39Å; D153-A184 WeakPolarHBondContact OD2-CA 3.36Å; D153-A184 PolarHBondContact OD2-N 2.93Å; D153-A184 VanDerWaalsContact OD2-N 3.16Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 3.04Å; R181-A184 PolarHBondContact O-N 3.4Å; A184-G187 PolarHBondContact O-N 2.92Å; A184-V188 WeakPolarHBondContact O-CG2 3.13Å; A184-V188 PolarHBondContact O-N 3.43Å
185L96.2Very high93.5Very high117 Ų11757 Ų5761%0.61332%0.319SS*.Hα-helixtrans-60.7-48175.2177.563.9000111.4R181 V182 S183 G187 V188 V189R181-L185 WeakPolarHBondContact O-CB 3.28Å; R181-L185 PolarHBondContact O-N 3.2Å; V182-L185 PolarHBondContact O-N 3Å; S183-L185 PolarHBondContact O-N 3.12Å; L185-G187 VanDerWaalsContact C-N 3.3Å; L185-G187 PolarHBondContact O-N 3.48Å; L185-V188 PolarHBondContact O-N 2.88Å; L185-V189 HydrophobicContact CD1-CG2 4.3Å; L185-V189 WeakPolarHBondContact O-CG2 3.28Å; L185-V189 PolarHBondContact O-N 3.43Å
186M95.4Very high94Very high52 Ų5256.4 Ų56.426%0.25633%0.325SS..Hα-helixtrans-59.2-44175-70.2175.9179.500110.9I23 Y26 V182 S183 V189 M190I23-M186 HydrophobicContact CG1-SD 4.49Å; I23-M186 HydrophobicContact CG2-SD 4.27Å; Y26-M186 HydrophobicContact CD1-SD 3.89Å; Y26-M186 HydrophobicContact CE1-SD 4.19Å; Y26-M186 HydrophobicContact CG-SD 4.47Å; V182-M186 HydrophobicContact CG1-CE 3.53Å; V182-M186 HydrophobicContact CG1-SD 4.15Å; V182-M186 VanDerWaalsContact O-CG 3.31Å; V182-M186 WeakPolarHBondContact O-CG 3.37Å; V182-M186 PolarHBondContact O-N 3.42Å; S183-M186 WeakPolarHBondContact O-CB 3.4Å; S183-M186 PolarHBondContact O-N 2.96Å; M186-V189 PolarHBondContact O-N 3.48Å; M186-M190 VanDerWaalsContact O-CB 3.26Å; M186-M190 WeakPolarHBondContact O-CB 3.48Å; M186-M190 WeakPolarHBondContact O-CG 3.48Å; M186-M190 PolarHBondContact O-N 3.42Å
187G95.9Very high94.4Very high4 Ų456.2 Ų56.24%0.04133%0.326CS..Hα-helixtrans-57.9-48.3177.600000112.5S183 A184 L185 M190 F191S183-G187 PolarHBondContact O-N 3.28Å; A184-G187 PolarHBondContact O-N 2.92Å; L185-G187 VanDerWaalsContact C-N 3.3Å; L185-G187 PolarHBondContact O-N 3.48Å; G187-M190 PolarHBondContact O-N 2.92Å; G187-F191 WeakPolarHBondContact O-CB 3.33Å; G187-F191 PolarHBondContact O-N 3.39Å
188V97.4Very high94.7Very high89 Ų8955.2 Ų55.254%0.53932%0.319SS..Hα-helixtrans-63.5-47.6179.3170.40000110.9L150 A184 L185 G192L150-V188 HydrophobicContact CD1-CG2 4.47Å; L150-V188 HydrophobicContact CD2-CG2 3.75Å; A184-V188 WeakPolarHBondContact O-CG2 3.13Å; A184-V188 PolarHBondContact O-N 3.43Å; L185-V188 PolarHBondContact O-N 2.88Å; V188-G192 PolarHBondContact O-N 3.02Å
189V96.6Very high94.9Very high95 Ų9561.1 Ų61.158%0.57633%0.333SS*.Hα-helixtrans-62.9-45.4-179.7172.20000110.8L185 M186 G193L185-V189 HydrophobicContact CD1-CG2 4.3Å; L185-V189 WeakPolarHBondContact O-CG2 3.28Å; L185-V189 PolarHBondContact O-N 3.43Å; M186-V189 PolarHBondContact O-N 3.48Å; V189-G193 PolarHBondContact O-N 3.14Å
190M95.4Very high94.9Very high42 Ų4261 Ų6121%0.20734%0.339CS..Hα-helixtrans-69.6-45.2-179.3-67.7-66.4-95.500111.6I23 T142 M186 G187 M194I23-M190 HydrophobicContact CD1-CE 4.47Å; I23-M190 HydrophobicContact CG2-CE 4.2Å; T142-M190 HydrophobicContact CG2-CE 4.25Å; M186-M190 VanDerWaalsContact O-CB 3.26Å; M186-M190 WeakPolarHBondContact O-CB 3.48Å; M186-M190 WeakPolarHBondContact O-CG 3.48Å; M186-M190 PolarHBondContact O-N 3.42Å; G187-M190 PolarHBondContact O-N 2.92Å; M190-M194 VanDerWaalsContact O-CB 3.24Å; M190-M194 WeakPolarHBondContact O-CB 3.3Å; M190-M194 WeakPolarHBondContact O-CG 3.35Å; M190-M194 PolarHBondContact O-N 3.38Å
191F97.3Very high95Very high69 Ų6960.3 Ų60.330%0.30334%0.335SS..Hα-helixtrans-62.4-48.6178.5-177.9-102.6000111.3Q143 S146 L147 L150 G187 S195Q143-F191 HydrophobicContact CB-CD2 4.46Å; Q143-F191 HydrophobicContact CB-CE2 4.44Å; S146-F191 WeakPolarHBondContact OG-CA 3.38Å; L147-F191 HydrophobicContact CB-CD2 3.91Å; L147-F191 HydrophobicContact CB-CE2 3.81Å; L147-F191 HydrophobicContact CD1-CE2 4.23Å; L147-F191 HydrophobicContact CD1-CZ 4.37Å; L147-F191 HydrophobicContact CD2-CE2 4.29Å; L147-F191 HydrophobicContact CG-CE2 4.33Å; L150-F191 HydrophobicContact CD1-CB 3.94Å; L150-F191 HydrophobicContact CD1-CG 4.33Å; G187-F191 WeakPolarHBondContact O-CB 3.33Å; G187-F191 PolarHBondContact O-N 3.39Å; F191-S195 VanDerWaalsContact O-CB 3.22Å; F191-S195 WeakPolarHBondContact O-CB 3.5Å; F191-S195 PolarHBondContact O-N 3.24Å; F191-S195 PolarHBondContact O-OG 3.44Å
192G96.8Very high94.9Very high32 Ų3254.7 Ų54.733%0.3332%0.316SS..Hα-helixtrans-60.9-52.6177.500000111.9V188 M194 S195 S196V188-G192 PolarHBondContact O-N 3.02Å; G192-M194 PolarHBondContact O-N 3.24Å; G192-S195 PolarHBondContact O-N 3.16Å; G192-S196 PolarHBondContact O-N 3.49Å; G192-S196 PolarHBondContact O-OG 3Å; G192-S196 VanDerWaalsContact O-OG 3.12Å
193G95.1Very high94.6Very high32 Ų3253.2 Ų53.233%0.3331%0.31SS..Hα-helixtrans-60.4-45-179.300000113.2V189 S196 L197V189-G193 PolarHBondContact O-N 3.14Å; G193-S196 PolarHBondContact O-N 3.48Å; G193-L197 WeakPolarHBondContact O-CG 3.46Å; G193-L197 PolarHBondContact O-N 2.85Å
194M94.7Very high94.2Very high35 Ų3553.3 Ų53.317%0.17231%0.311CS..Hα-helixtrans-69.9-35.7178.3-66.6-59.2105.800112.6T142 Q143 M190 G192 L197 F198T142-M194 HydrophobicContact CG2-CG 3.6Å; T142-M194 HydrophobicContact CG2-SD 4.27Å; Q143-M194 HydrophobicContact CG-CB 3.66Å; M190-M194 VanDerWaalsContact O-CB 3.24Å; M190-M194 WeakPolarHBondContact O-CB 3.3Å; M190-M194 WeakPolarHBondContact O-CG 3.35Å; M190-M194 PolarHBondContact O-N 3.38Å; G192-M194 PolarHBondContact O-N 3.24Å; M194-L197 HydrophobicContact CE-CD1 3.65Å; M194-L197 PolarHBondContact O-N 3.47Å; M194-L197 HydrophobicContact SD-CD1 4.47Å; M194-F198 WeakPolarHBondContact O-CB 3.25Å; M194-F198 PolarHBondContact O-N 2.84Å
195S95.6Very high93.8Very high32 Ų3252.3 Ų52.322%0.22430%0.301CS..Hα-helixtrans-62.6-44.6174.1-610000111.1Q143 F191 G192 F198 Y199Q143-S195 PolarHBondContact OE1-OG 3.05Å; F191-S195 VanDerWaalsContact O-CB 3.22Å; F191-S195 WeakPolarHBondContact O-CB 3.5Å; F191-S195 PolarHBondContact O-N 3.24Å; F191-S195 PolarHBondContact O-OG 3.44Å; G192-S195 PolarHBondContact O-N 3.16Å; S195-F198 PolarHBondContact O-N 3.33Å; S195-Y199 VanDerWaalsContact O-CB 3.28Å; S195-Y199 WeakPolarHBondContact O-CB 3.21Å; S195-Y199 PolarHBondContact O-N 3.43Å
196S94.9Very high93.3Very high79 Ų7950.6 Ų50.655%0.55229%0.292SS*.Hα-helixtrans-62.9-45176.5-60.20000112.4G192 G193 Y199 A200G192-S196 PolarHBondContact O-N 3.49Å; G192-S196 PolarHBondContact O-OG 3Å; G192-S196 VanDerWaalsContact O-OG 3.12Å; G193-S196 PolarHBondContact O-N 3.48Å; S196-Y199 PolarHBondContact O-N 3.03Å; S196-A200 WeakPolarHBondContact O-CB 3.37Å; S196-A200 PolarHBondContact O-N 3.08Å
197L93.6Very high92.5Very high68 Ų6849.4 Ų49.436%0.35629%0.289SS..Hα-helixtrans-65.4-45.5177.3-72.7176.3000111.9G193 M194 Y199 A200 Q201G193-L197 WeakPolarHBondContact O-CG 3.46Å; G193-L197 PolarHBondContact O-N 2.85Å; M194-L197 HydrophobicContact CE-CD1 3.65Å; M194-L197 PolarHBondContact O-N 3.47Å; M194-L197 HydrophobicContact SD-CD1 4.47Å; L197-Y199 VanDerWaalsContact C-N 3.31Å; L197-Y199 PolarHBondContact O-N 3.47Å; L197-A200 PolarHBondContact O-N 2.91Å; L197-Q201 WeakPolarHBondContact O-CB 3.35Å; L197-Q201 WeakPolarHBondContact O-CG 3.15Å; L197-Q201 PolarHBondContact O-N 3.14Å
198F93.8Very high91.8Very high40 Ų4051.3 Ų51.318%0.17530%0.299CS..Hα-helixtrans-59.7-44.7177.8-172.9-96.1000111.1L136 C139 F140 Q143 M194 S195 Q201 M202L136-F198 HydrophobicContact CB-CE2 4.49Å; L136-F198 HydrophobicContact CD2-CD2 4.4Å; L136-F198 HydrophobicContact CD2-CE2 4.4Å; C139-F198 HydrophobicContact CB-CB 4.15Å; C139-F198 HydrophobicContact CB-CD2 3.78Å; C139-F198 HydrophobicContact CB-CG 4.46Å; F140-F198 HydrophobicContact CB-CE2 4.32Å; Q143-F198 VanDerWaalsContact NE2-CB 3.34Å; M194-F198 WeakPolarHBondContact O-CB 3.25Å; M194-F198 PolarHBondContact O-N 2.84Å; S195-F198 PolarHBondContact O-N 3.33Å; F198-Q201 PolarHBondContact O-N 3.37Å; F198-M202 HydrophobicContact CD1-CG 3.96Å; F198-M202 HydrophobicContact CE1-CG 3.64Å; F198-M202 HydrophobicContact CE1-SD 4.4Å; F198-M202 HydrophobicContact CZ-CG 3.99Å; F198-M202 HydrophobicContact CZ-SD 4.25Å; F198-M202 WeakPolarHBondContact O-CB 3.36Å; F198-M202 VanDerWaalsContact O-CG 3.28Å; F198-M202 WeakPolarHBondContact O-CG 3.42Å; F198-M202 PolarHBondContact O-N 3.39Å
199Y93.5Very high90.8Very high173 Ų17348.6 Ų48.668%0.67828%0.28SS*.Hα-helixtrans-58.7-49.5174.3173.6-97.4000112S195 S196 L197 Q201 M202 A203S195-Y199 VanDerWaalsContact O-CB 3.28Å; S195-Y199 WeakPolarHBondContact O-CB 3.21Å; S195-Y199 PolarHBondContact O-N 3.43Å; S196-Y199 PolarHBondContact O-N 3.03Å; L197-Y199 VanDerWaalsContact C-N 3.31Å; L197-Y199 PolarHBondContact O-N 3.47Å; Y199-Q201 VanDerWaalsContact C-N 3.32Å; Y199-Q201 PolarHBondContact O-N 3.04Å; Y199-M202 PolarHBondContact O-N 3.09Å; Y199-A203 WeakPolarHBondContact O-CB 3.43Å; Y199-A203 PolarHBondContact O-N 3.47Å
200A91.1Very high90Very high48 Ų4844.4 Ų44.440%0.39726%0.255SS..Hα-helixtrans-60.3-41.8-179.200000112.4S196 L197 A203 G204S196-A200 WeakPolarHBondContact O-CB 3.37Å; S196-A200 PolarHBondContact O-N 3.08Å; L197-A200 PolarHBondContact O-N 2.91Å; A200-A203 PolarHBondContact O-N 3.04Å; A200-G204 PolarHBondContact O-N 3.48Å
201Q93.1Very high89.2Confident11 Ų1144.8 Ų44.85%0.05126%0.26CS..Hα-helixtrans-68.6-44.2177.9-68.5-66.6-23.700111.9D117 H118 H132 F135 L136 L197 F198 Y199 A203 G204 I205D117-Q201 PolarHBondContact OD2-NE2 3.44Å; D117-Q201 PolarHBondContact OD2-OE1 3.32Å; H118-Q201 PolarHBondContact CE1-NE2 3.4Å; H132-Q201 PolarHBondContact NE2-OE1 3.45Å; F135-Q201 HydrophobicContact CD1-CG 4.3Å; F135-Q201 HydrophobicContact CE1-CG 3.87Å; L136-Q201 HydrophobicContact CD2-CB 3.76Å; L197-Q201 WeakPolarHBondContact O-CB 3.35Å; L197-Q201 WeakPolarHBondContact O-CG 3.15Å; L197-Q201 PolarHBondContact O-N 3.14Å; F198-Q201 PolarHBondContact O-N 3.37Å; Y199-Q201 VanDerWaalsContact C-N 3.32Å; Y199-Q201 PolarHBondContact O-N 3.04Å; Q201-A203 PolarHBondContact O-N 2.88Å; Q201-G204 PolarHBondContact O-N 2.86Å; Q201-I205 WeakPolarHBondContact O-CG1 3.38Å; Q201-I205 PolarHBondContact O-N 3.02Å
202M90.8Very high88.3Confident34 Ų3443.2 Ų43.217%0.16725%0.254CS..Hα-helixtrans-58-48.8172.4-76.2-62.598.100111.2L136 F198 Y199 G204 I205 L206 L233L136-M202 HydrophobicContact CD1-CE 3.3Å; L136-M202 HydrophobicContact CD2-CE 3.38Å; L136-M202 HydrophobicContact CG-CE 3.92Å; F198-M202 HydrophobicContact CD1-CG 3.96Å; F198-M202 HydrophobicContact CE1-CG 3.64Å; F198-M202 HydrophobicContact CE1-SD 4.4Å; F198-M202 HydrophobicContact CZ-CG 3.99Å; F198-M202 HydrophobicContact CZ-SD 4.25Å; F198-M202 WeakPolarHBondContact O-CB 3.36Å; F198-M202 VanDerWaalsContact O-CG 3.28Å; F198-M202 WeakPolarHBondContact O-CG 3.42Å; F198-M202 PolarHBondContact O-N 3.39Å; Y199-M202 PolarHBondContact O-N 3.09Å; M202-G204 VanDerWaalsContact C-N 3.28Å; M202-G204 PolarHBondContact O-N 3.41Å; M202-I205 HydrophobicContact CE-CD1 3.67Å; M202-I205 PolarHBondContact O-N 2.73Å; M202-L206 WeakPolarHBondContact O-CB 3.43Å; M202-L206 WeakPolarHBondContact O-CG 3.44Å; M202-L206 PolarHBondContact O-N 2.65Å; M202-L233 HydrophobicContact CE-CD2 3.91Å; M202-L233 HydrophobicContact SD-CD2 3.79Å
203A88.9Confident87.4Confident32 Ų3242.9 Ų42.926%0.26424%0.244SC..Hα-helixtrans-59.9-38.4177.300000112.2Y199 A200 Q201 S207Y199-A203 WeakPolarHBondContact O-CB 3.43Å; Y199-A203 PolarHBondContact O-N 3.47Å; A200-A203 PolarHBondContact O-N 3.04Å; Q201-A203 PolarHBondContact O-N 2.88Å; A203-S207 WeakPolarHBondContact O-CB 3.38Å; A203-S207 PolarHBondContact O-N 2.94Å; A203-S207 VanDerWaalsContact O-N 3.1Å; A203-S207 PolarHBondContact O-OG 3.23Å
204G86.6Confident86.6Confident4 Ų445 Ų454%0.04124%0.244CC..Hα-helixtrans-59.8-52.6172.700000112.6A200 Q201 M202 L206 S207 D208 M209 K214A200-G204 PolarHBondContact O-N 3.48Å; Q201-G204 PolarHBondContact O-N 2.86Å; M202-G204 VanDerWaalsContact C-N 3.28Å; M202-G204 PolarHBondContact O-N 3.41Å; G204-L206 VanDerWaalsContact C-N 3.32Å; G204-L206 PolarHBondContact O-N 2.73Å; G204-S207 CarbonylContact O-C 3.21Å; G204-S207 PolarHBondContact O-N 3.38Å; G204-S207 VanDerWaalsContact O-N 3.08Å; G204-S207 PolarHBondContact O-OG 2.88Å; G204-D208 PolarHBondContact O-N 3.05Å; G204-M209 CarbonylContact C-O 3.58Å; G204-M209 VanDerWaalsContact CA-O 3.24Å; G204-M209 WeakPolarHBondContact CA-O 3.32Å; G204-M209 PolarHBondContact O-N 3.49Å; G204-M209 VanDerWaalsContact O-O 3.12Å; G204-K214 VanDerWaalsContact CA-NZ 3.3Å
205I87.1Confident85.6Confident11 Ų1149.7 Ų49.76%0.05627%0.267CS..Hα-helixtrans-61.4-42.5179.8-65.2163.7000111.3L136 Q201 M202 S207 D208 A232 L233 V236L136-I205 HydrophobicContact CD1-CD1 3.66Å; L136-I205 HydrophobicContact CD2-CD1 4.39Å; L136-I205 HydrophobicContact CG-CD1 4.45Å; Q201-I205 WeakPolarHBondContact O-CG1 3.38Å; Q201-I205 PolarHBondContact O-N 3.02Å; M202-I205 HydrophobicContact CE-CD1 3.67Å; M202-I205 PolarHBondContact O-N 2.73Å; I205-S207 PolarHBondContact O-N 2.83Å; I205-D208 PolarHBondContact O-N 2.72Å; I205-A232 HydrophobicContact CG2-CB 4.04Å; I205-A232 WeakPolarHBondContact O-CB 3.24Å; I205-L233 HydrophobicContact CG2-CD2 3.88Å; I205-L233 HydrophobicContact CG2-CG 4.28Å; I205-V236 HydrophobicContact CD1-CB 4.49Å; I205-V236 HydrophobicContact CD1-CG1 4.13Å; I205-V236 HydrophobicContact CD1-CG2 4.09Å; I205-V236 HydrophobicContact CG1-CG2 4.05Å; I205-V236 HydrophobicContact CG2-CG2 3.85Å
206L85.3Confident84.3Confident81 Ų8150.6 Ų50.642%0.42427%0.273SS..Hα-helixtrans-66.2-24.3178.4-67.3174.9000113.4M202 G204 W229 L233M202-L206 WeakPolarHBondContact O-CB 3.43Å; M202-L206 WeakPolarHBondContact O-CG 3.44Å; M202-L206 PolarHBondContact O-N 2.65Å; G204-L206 VanDerWaalsContact C-N 3.32Å; G204-L206 PolarHBondContact O-N 2.73Å; L206-W229 HydrophobicContact CD2-CB 3.46Å; L206-W229 VanDerWaalsContact CD2-CB 3.46Å; L206-L233 HydrophobicContact CD2-CD1 4.35Å
207S80Confident82.5Confident27 Ų2749.7 Ų49.719%0.18926%0.26CS..THydrogen-bonded Turntrans-95.13.7173.8500000113.3A203 G204 I205 M209A203-S207 WeakPolarHBondContact O-CB 3.38Å; A203-S207 PolarHBondContact O-N 2.94Å; A203-S207 VanDerWaalsContact O-N 3.1Å; A203-S207 PolarHBondContact O-OG 3.23Å; G204-S207 CarbonylContact O-C 3.21Å; G204-S207 PolarHBondContact O-N 3.38Å; G204-S207 VanDerWaalsContact O-N 3.08Å; G204-S207 PolarHBondContact O-OG 2.88Å; I205-S207 PolarHBondContact O-N 2.83Å; S207-M209 PolarHBondContact O-N 3.32Å
208D80.4Confident80.5Confident44 Ų4456.2 Ų56.224%0.23529%0.286CS..THydrogen-bonded Turntrans50.735.7-170.9-1668.3000113.2R102 R115 G204 I205 H264R102-D208 IonicContact CZ-OD1 3.81Å; R102-D208 IonicContact NH1-OD1 3.59Å; R102-D208 PolarHBondContact NH1-OD1 3.3Å; R102-D208 VanDerWaalsContact NH1-OD1 3.14Å; R102-D208 IonicContact NH1-OD2 3.9Å; R102-D208 PolarHBondContact NH2-O 3.22Å; R102-D208 IonicContact NH2-OD1 3.66Å; R115-D208 IonicContact CZ-OD1 3.77Å; R115-D208 IonicContact NH2-OD1 2.85Å; R115-D208 PolarHBondContact NH2-OD1 2.95Å; R115-D208 IonicContact NH2-OD2 3.14Å; G204-D208 PolarHBondContact O-N 3.05Å; I205-D208 PolarHBondContact O-N 2.72Å; D208-H264 IonicContact OD2-CE1 3.65Å; D208-H264 IonicContact OD2-ND1 2.72Å
209M76.5Confident78.4Confident31 Ų3159 Ų5915%0.15331%0.311CS..  trans-121.2133.3179.9-72.1-159.8-75.700112G204 S207 K214 Q217 Y223G204-M209 CarbonylContact C-O 3.58Å; G204-M209 VanDerWaalsContact CA-O 3.24Å; G204-M209 WeakPolarHBondContact CA-O 3.32Å; G204-M209 PolarHBondContact O-N 3.49Å; G204-M209 VanDerWaalsContact O-O 3.12Å; S207-M209 PolarHBondContact O-N 3.32Å; M209-K214 HydrophobicContact CB-CG 4.02Å; M209-K214 HydrophobicContact CE-CD 4.2Å; M209-K214 HydrophobicContact CE-CG 3.57Å; M209-K214 HydrophobicContact SD-CG 3.65Å; M209-Q217 VanDerWaalsContact SD-CD 3.59Å; M209-Q217 PolarHBondContact SD-OE1 3.38Å; M209-Y223 WeakPolarHBondContact CE-OH 3.29Å; M209-Y223 PolarHBondContact SD-OH 2.95Å
210T78.6Confident76.1Confident8 Ų854.6 Ų54.65%0.04931%0.305CS..  trans-75.6162.9162.663.70000110.9R115 D117 I212 E213 K214R115-T210 HydrophobicContact CG-CG2 4.13Å; D117-T210 WeakPolarHBondContact OD1-CA 3.45Å; T210-I212 VanDerWaalsContact C-N 3.3Å; T210-I212 PolarHBondContact O-N 2.85Å; T210-E213 WeakPolarHBondContact CB-OE2 3.49Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.27Å; T210-E213 PolarHBondContact N-OE2 3.08Å; T210-E213 PolarHBondContact O-N 3.48Å; T210-E213 WeakPolarHBondContact OG1-CB 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.43Å; T210-E213 PolarHBondContact OG1-N 3.24Å; T210-E213 VanDerWaalsContact OG1-N 3.14Å; T210-E213 PolarHBondContact OG1-OE2 2.96Å; T210-K214 PolarHBondContact O-N 2.94Å
211T80Confident74Confident50 Ų5061 Ų6131%0.30733%0.327SS..Hα-helixtrans-62.2-38.4175-56.70000111.3D117 K214 M215D117-T211 PolarHBondContact OD1-N 3.31Å; D117-T211 PolarHBondContact OD1-OG1 2.91Å; D117-T211 PolarHBondContact OD2-OG1 3.29Å; D117-T211 VanDerWaalsContact OD2-OG1 3.05Å; T211-K214 PolarHBondContact O-N 3.21Å; T211-M215 HydrophobicContact CG2-CE 4.25Å; T211-M215 WeakPolarHBondContact O-CG 3.18Å; T211-M215 PolarHBondContact O-N 3.5Å; T211-M215 VanDerWaalsContact O-N 3.16Å
212I78Confident71.8Confident35 Ų3566.4 Ų66.418%0.17936%0.361CS..Hα-helixtrans-61.8-45.4173.8-69.2171.2000110.7H104 M116 D117 T210 K214 M215 S216H104-I212 HydrophobicContact CB-CD1 3.99Å; M116-I212 HydrophobicContact CB-CD1 4.27Å; M116-I212 HydrophobicContact CE-CD1 4.43Å; M116-I212 HydrophobicContact CG-CD1 3.97Å; M116-I212 HydrophobicContact SD-CD1 4.21Å; D117-I212 WeakPolarHBondContact O-CG1 3.33Å; T210-I212 VanDerWaalsContact C-N 3.3Å; T210-I212 PolarHBondContact O-N 2.85Å; I212-K214 PolarHBondContact O-N 3.36Å; I212-M215 PolarHBondContact O-N 3.42Å; I212-S216 WeakPolarHBondContact O-CB 3.42Å; I212-S216 PolarHBondContact O-N 3Å; I212-S216 PolarHBondContact O-OG 3.4Å
213E77.9Confident69.9Low26 Ų2671 Ų7112%0.12138%0.377CS..Hα-helixtrans-64.4-39.8179.3-74.5160163.900112.6R102 T210 M215 S216 Q217R102-E213 WeakPolarHBondContact CB-OE1 3.35Å; R102-E213 WeakPolarHBondContact CD-OE1 3.4Å; R102-E213 WeakPolarHBondContact CG-OE1 3.5Å; R102-E213 IonicContact CZ-OE1 3.35Å; R102-E213 IonicContact CZ-OE2 3.03Å; R102-E213 IonicContact NE-OE1 2.62Å; R102-E213 PolarHBondContact NE-OE1 3.2Å; R102-E213 IonicContact NE-OE2 3.59Å; R102-E213 IonicContact NH2-OE1 3.37Å; R102-E213 PolarHBondContact NH2-OE1 3.36Å; R102-E213 IonicContact NH2-OE2 3.79Å; R102-E213 PolarHBondContact NH2-OE2 2.79Å; T210-E213 WeakPolarHBondContact CB-OE2 3.49Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.27Å; T210-E213 PolarHBondContact N-OE2 3.08Å; T210-E213 PolarHBondContact O-N 3.48Å; T210-E213 WeakPolarHBondContact OG1-CB 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.43Å; T210-E213 PolarHBondContact OG1-N 3.24Å; T210-E213 VanDerWaalsContact OG1-N 3.14Å; T210-E213 PolarHBondContact OG1-OE2 2.96Å; E213-M215 VanDerWaalsContact C-N 3.27Å; E213-M215 PolarHBondContact O-N 3.23Å; E213-S216 WeakPolarHBondContact CA-OG 3.42Å; E213-S216 PolarHBondContact O-N 3.04Å; E213-S216 PolarHBondContact O-OG 3.31Å; E213-Q217 WeakPolarHBondContact O-CB 3.5Å; E213-Q217 VanDerWaalsContact O-CG 3.26Å; E213-Q217 WeakPolarHBondContact O-CG 3.08Å; E213-Q217 PolarHBondContact O-N 2.89Å
214K77.5Confident68.3Low75 Ų7571.2 Ų71.233%0.32638%0.383SS..Hα-helixtrans-58.8-41173.5-76.7178.2-179.7176.20112G204 M209 T210 T211 I212G204-K214 VanDerWaalsContact CA-NZ 3.3Å; M209-K214 HydrophobicContact CB-CG 4.02Å; M209-K214 HydrophobicContact CE-CD 4.2Å; M209-K214 HydrophobicContact CE-CG 3.57Å; M209-K214 HydrophobicContact SD-CG 3.65Å; T210-K214 PolarHBondContact O-N 2.94Å; T211-K214 PolarHBondContact O-N 3.21Å; I212-K214 PolarHBondContact O-N 3.36Å
215M75.1Confident66.8Low134 Ų13477.3 Ų77.366%0.6642%0.419SS*.Hα-helixtrans-73.2-35.4177.8-67-173.9-62.700112.1T211 I212 E213T211-M215 HydrophobicContact CG2-CE 4.25Å; T211-M215 WeakPolarHBondContact O-CG 3.18Å; T211-M215 PolarHBondContact O-N 3.5Å; T211-M215 VanDerWaalsContact O-N 3.16Å; I212-M215 PolarHBondContact O-N 3.42Å; E213-M215 VanDerWaalsContact C-N 3.27Å; E213-M215 PolarHBondContact O-N 3.23Å
216S68.1Low65.6Low51 Ų5185.4 Ų85.436%0.35745%0.454SS..Hα-helixtrans-80.9-26179.171.20000113.5I212 E213 F218 S219I212-S216 WeakPolarHBondContact O-CB 3.42Å; I212-S216 PolarHBondContact O-N 3Å; I212-S216 PolarHBondContact O-OG 3.4Å; E213-S216 WeakPolarHBondContact CA-OG 3.42Å; E213-S216 PolarHBondContact O-N 3.04Å; E213-S216 PolarHBondContact O-OG 3.31Å; S216-F218 PolarHBondContact O-N 3.36Å; S216-S219 WeakPolarHBondContact O-CA 3.39Å; S216-S219 WeakPolarHBondContact O-CB 3.49Å; S216-S219 PolarHBondContact O-N 3.17Å; S216-S219 PolarHBondContact O-OG 3.39Å
217Q55.7Low64.8Low60 Ų6085.8 Ų85.828%0.2845%0.45SS..THydrogen-bonded Turntrans-68.8-11.5178.1-85.1-175.35.400113.6M209 E213 S219 Y223M209-Q217 VanDerWaalsContact SD-CD 3.59Å; M209-Q217 PolarHBondContact SD-OE1 3.38Å; E213-Q217 WeakPolarHBondContact O-CB 3.5Å; E213-Q217 VanDerWaalsContact O-CG 3.26Å; E213-Q217 WeakPolarHBondContact O-CG 3.08Å; E213-Q217 PolarHBondContact O-N 2.89Å; Q217-S219 PolarHBondContact O-N 3.36Å; Q217-Y223 PolarHBondContact NE2-OH 3.2Å; Q217-Y223 VanDerWaalsContact OE1-CZ 3.28Å; Q217-Y223 PolarHBondContact OE1-OH 3.2Å
218F52.5Low64.9Low205 Ų20587 Ų8790%0.89946%0.458SS*.THydrogen-bonded Turntrans-59-7.6159.7-131.7-84.9000112.5S216S216-F218 PolarHBondContact O-N 3.36Å
219S50.3Low64.9Low100 Ų10090.8 Ų90.870%0.69947%0.469SS*.SBendtrans-126.9-7.6-176.871.60000117.3S216 Q217S216-S219 WeakPolarHBondContact O-CA 3.39Å; S216-S219 WeakPolarHBondContact O-CB 3.49Å; S216-S219 PolarHBondContact O-N 3.17Å; S216-S219 PolarHBondContact O-OG 3.39Å; Q217-S219 PolarHBondContact O-N 3.36Å
220S44Very low65.2Low79 Ų7994 Ų9455%0.55248%0.484SS*.  trans-165.8133.6170.252.20000114.1
221E47Very low65.3Low184 Ų18499.1 Ų99.186%0.8650%0.503SS*.  trans-83.4122173-73.6-165.1151.400111.3
222T48Very low65.5Low124 Ų12497.1 Ų97.176%0.76149%0.491SS*.  trans-151.8105.4153-42.70000107.7
223Y50.8Low65.8Low130 Ų13096.2 Ų96.251%0.5149%0.487SS..  trans-113.3112.6173.1-88.8-85.8000109.9M209 Q217M209-Y223 WeakPolarHBondContact CE-OH 3.29Å; M209-Y223 PolarHBondContact SD-OH 2.95Å; Q217-Y223 PolarHBondContact NE2-OH 3.2Å; Q217-Y223 VanDerWaalsContact OE1-CZ 3.28Å; Q217-Y223 PolarHBondContact OE1-OH 3.2Å
224G55.4Low66.2Low37 Ų3795.1 Ų95.138%0.38148%0.482SS..  trans-67.8173.8158.900000111.2K226G224-K226 PolarHBondContact O-N 3.47Å
225T55.6Low66.6Low131 Ų13193.5 Ų93.580%0.80448%0.476SS*.  trans-59.7129.3-176.119.10000112.5R227T225-R227 PolarHBondContact O-N 3.42Å; T225-R227 VanDerWaalsContact O-N 3.15Å
226K60.1Low67.1Low181 Ų18188 Ų8879%0.78745%0.45SS*.  trans-59.9115.5176-107.4-178.4179.3174.90110.5G224G224-K226 PolarHBondContact O-N 3.47Å
227R69.6Low68Low89 Ų8986 Ų8634%0.33644%0.435SS..  trans-71.6156.9172.3-65.6-177.6176.8174.75.6110.6T225 E235 H264T225-R227 PolarHBondContact O-N 3.42Å; T225-R227 VanDerWaalsContact O-N 3.15Å; R227-E235 IonicContact NH1-OE1 3.51Å; R227-E235 IonicContact NH1-OE2 3.82Å; R227-E235 PolarHBondContact NH1-OE2 3.01Å; R227-H264 VanDerWaalsContact CZ-CE1 3.44Å; R227-H264 PolarHBondContact NH1-CE1 2.95Å; R227-H264 PolarHBondContact NH2-CE1 3.14Å; R227-H264 PolarHBondContact NH2-ND1 3.15Å
228S82.5Confident69.3Low53 Ų5383.3 Ų83.337%0.37142%0.424SS..  trans-66.5146.417495.20000110.8Q230 W231 A232S228-Q230 PolarHBondContact O-N 3.46Å; S228-Q230 VanDerWaalsContact O-N 3.14Å; S228-W231 WeakPolarHBondContact O-CB 3.48Å; S228-W231 PolarHBondContact O-N 2.99Å; S228-A232 PolarHBondContact O-N 3.13Å
229W80.2Confident70.7Confident123 Ų12374.3 Ų74.347%0.46639%0.386SS..Hα-helixtrans-55.8-33-179.866.7-96.1000113.5L206 W231 A232 L233L206-W229 HydrophobicContact CD2-CB 3.46Å; L206-W229 VanDerWaalsContact CD2-CB 3.46Å; W229-W231 VanDerWaalsContact C-N 3.31Å; W229-W231 PolarHBondContact O-N 3.23Å; W229-A232 PolarHBondContact O-N 2.85Å; W229-L233 HydrophobicContact CE3-CD1 3.93Å; W229-L233 HydrophobicContact CZ3-CD1 4.22Å; W229-L233 PolarHBondContact O-N 3.14Å; W229-L233 VanDerWaalsContact O-N 3.16Å
230Q82.6Confident72.1Confident100 Ų10077.3 Ų77.347%0.46738%0.382SS..Hα-helixtrans-65.8-38.6179.3-62.9-176-9.400111S228 A234S228-Q230 PolarHBondContact O-N 3.46Å; S228-Q230 VanDerWaalsContact O-N 3.14Å; Q230-A234 WeakPolarHBondContact O-CB 3.46Å; Q230-A234 PolarHBondContact O-N 2.79Å
231W81.5Confident73.8Confident115 Ų11582.7 Ų82.744%0.43639%0.39SS..Hα-helixtrans-69.2-45.8177.8-77.9114.5000111.8S228 W229 L233 A234 E235 R240S228-W231 WeakPolarHBondContact O-CB 3.48Å; S228-W231 PolarHBondContact O-N 2.99Å; W229-W231 VanDerWaalsContact C-N 3.31Å; W229-W231 PolarHBondContact O-N 3.23Å; W231-L233 PolarHBondContact O-N 3Å; W231-A234 PolarHBondContact O-N 3.24Å; W231-E235 WeakPolarHBondContact O-CB 3.34Å; W231-E235 PolarHBondContact O-N 2.75Å; W231-R240 VanDerWaalsContact CH2-CZ 3.42Å
232A83.6Confident75.5Confident8 Ų879.1 Ų79.17%0.06637%0.372CS..Hα-helixtrans-59.1-47179.800000112.1I205 S228 W229 E235 V236I205-A232 HydrophobicContact CG2-CB 4.04Å; I205-A232 WeakPolarHBondContact O-CB 3.24Å; S228-A232 PolarHBondContact O-N 3.13Å; W229-A232 PolarHBondContact O-N 2.85Å; A232-E235 PolarHBondContact O-N 3.28Å; A232-V236 PolarHBondContact O-N 3.08Å
233L84.3Confident77Confident15 Ų1580.6 Ų80.68%0.07937%0.374CS..Hα-helixtrans-68.2-39.1176.9-73.3169.8000112.5M202 I205 L206 W229 W231 E235 V236 C237 W245M202-L233 HydrophobicContact CE-CD2 3.91Å; M202-L233 HydrophobicContact SD-CD2 3.79Å; I205-L233 HydrophobicContact CG2-CD2 3.88Å; I205-L233 HydrophobicContact CG2-CG 4.28Å; L206-L233 HydrophobicContact CD2-CD1 4.35Å; W229-L233 HydrophobicContact CE3-CD1 3.93Å; W229-L233 HydrophobicContact CZ3-CD1 4.22Å; W229-L233 PolarHBondContact O-N 3.14Å; W229-L233 VanDerWaalsContact O-N 3.16Å; W231-L233 PolarHBondContact O-N 3Å; L233-E235 VanDerWaalsContact C-N 3.25Å; L233-E235 PolarHBondContact O-N 2.91Å; L233-V236 PolarHBondContact O-N 3.36Å; L233-C237 VanDerWaalsContact O-CB 3.27Å; L233-C237 WeakPolarHBondContact O-CB 3.33Å; L233-C237 PolarHBondContact O-N 3.07Å; L233-C237 PolarHBondContact O-SG 3.25Å; L233-W245 HydrophobicContact CB-CH2 3.4Å; L233-W245 HydrophobicContact CB-CZ2 3.84Å; L233-W245 HydrophobicContact CB-CZ3 3.93Å; L233-W245 HydrophobicContact CD1-CH2 3.79Å; L233-W245 HydrophobicContact CD1-CZ3 3.76Å; L233-W245 HydrophobicContact CG-CH2 4.19Å; L233-W245 HydrophobicContact CG-CZ3 4.34Å
234A85.6Confident78.5Confident3 Ų377.3 Ų77.33%0.02537%0.365CS..Hα-helixtrans-65.5-31.1178.200000112.3Q230 W231 G238 T239 R240 L255Q230-A234 WeakPolarHBondContact O-CB 3.46Å; Q230-A234 PolarHBondContact O-N 2.79Å; W231-A234 PolarHBondContact O-N 3.24Å; A234-G238 CarbonylContact O-C 3.49Å; A234-G238 VanDerWaalsContact O-CA 3.25Å; A234-G238 WeakPolarHBondContact O-CA 3.22Å; A234-G238 PolarHBondContact O-N 3.23Å; A234-T239 VanDerWaalsContact CA-O 3.31Å; A234-T239 WeakPolarHBondContact CA-O 3.38Å; A234-T239 WeakPolarHBondContact CB-O 3.38Å; A234-T239 PolarHBondContact O-N 3.15Å; A234-R240 HydrophobicContact CB-CG 4.12Å; A234-L255 VanDerWaalsContact C-CD1 3.5Å; A234-L255 HydrophobicContact CB-CD1 3.77Å; A234-L255 VanDerWaalsContact O-CD1 3.25Å; A234-L255 WeakPolarHBondContact O-CD1 3.35Å
235E85.9Confident79.7Confident41 Ų4176.8 Ų76.819%0.19235%0.352CS..Hα-helixtrans-68.3-47.3175.5-172.7176.7165.900111.9R115 R227 W231 A232 L233 G238 R252R115-E235 IonicContact CZ-OE1 3.14Å; R115-E235 IonicContact NH1-OE1 2.75Å; R115-E235 PolarHBondContact NH1-OE1 2.88Å; R115-E235 IonicContact NH2-OE1 3.57Å; R227-E235 IonicContact NH1-OE1 3.51Å; R227-E235 IonicContact NH1-OE2 3.82Å; R227-E235 PolarHBondContact NH1-OE2 3.01Å; W231-E235 WeakPolarHBondContact O-CB 3.34Å; W231-E235 PolarHBondContact O-N 2.75Å; A232-E235 PolarHBondContact O-N 3.28Å; L233-E235 VanDerWaalsContact C-N 3.25Å; L233-E235 PolarHBondContact O-N 2.91Å; E235-G238 PolarHBondContact O-N 2.68Å; E235-R252 PolarHBondContact O-NH2 2.83Å
236V85.8Confident80.8Confident19 Ų1974.2 Ų74.212%0.11533%0.33CS..Hα-helixtrans-63-52.6175.1173.10000110.2H132 W133 L136 I205 A232 L233 G238 R252H132-V236 HydrophobicContact CB-CG1 4.17Å; W133-V236 HydrophobicContact CB-CG1 4.02Å; L136-V236 HydrophobicContact CD1-CG1 4.08Å; I205-V236 HydrophobicContact CD1-CB 4.49Å; I205-V236 HydrophobicContact CD1-CG1 4.13Å; I205-V236 HydrophobicContact CD1-CG2 4.09Å; I205-V236 HydrophobicContact CG1-CG2 4.05Å; I205-V236 HydrophobicContact CG2-CG2 3.85Å; A232-V236 PolarHBondContact O-N 3.08Å; L233-V236 PolarHBondContact O-N 3.36Å; V236-G238 VanDerWaalsContact C-N 3.26Å; V236-G238 PolarHBondContact O-N 3.1Å; V236-R252 PolarHBondContact O-NE 2.74Å
237C86.7Confident81.8Confident8 Ų869.5 Ų69.55%0.05431%0.313CS..Hα-helixtrans-74.9-10.9-177.9-65.20000113.7L233 T239 W245 R250L233-C237 VanDerWaalsContact O-CB 3.27Å; L233-C237 WeakPolarHBondContact O-CB 3.33Å; L233-C237 PolarHBondContact O-N 3.07Å; L233-C237 PolarHBondContact O-SG 3.25Å; C237-T239 VanDerWaalsContact C-N 3.28Å; C237-T239 PolarHBondContact O-N 3.34Å; C237-W245 HydrophobicContact CB-CB 4.39Å; C237-W245 HydrophobicContact CB-CD2 4.17Å; C237-W245 HydrophobicContact CB-CG 3.72Å; C237-W245 VanDerWaalsContact SG-CG 3.59Å; C237-R250 PolarHBondContact O-NH1 3.31Å; C237-R250 VanDerWaalsContact O-NH1 3.14Å; C237-R250 PolarHBondContact O-NH2 3.44Å
238G82.7Confident81.9Confident5 Ų566 Ų665%0.05230%0.301CS..THydrogen-bonded Turntrans59.734.7-177.300000113.9A234 E235 V236 Q253A234-G238 CarbonylContact O-C 3.49Å; A234-G238 VanDerWaalsContact O-CA 3.25Å; A234-G238 WeakPolarHBondContact O-CA 3.22Å; A234-G238 PolarHBondContact O-N 3.23Å; E235-G238 PolarHBondContact O-N 2.68Å; V236-G238 VanDerWaalsContact C-N 3.26Å; V236-G238 PolarHBondContact O-N 3.1Å; G238-Q253 CarbonylContact C-O 3.38Å; G238-Q253 VanDerWaalsContact C-O 3.31Å; G238-Q253 WeakPolarHBondContact CA-O 3.48Å
239T82.1Confident81.6Confident15 Ų1570.3 Ų70.39%0.09232%0.319CS..  trans-169147.6172.1-173.40000111A234 C237 W241 L244 W245A234-T239 VanDerWaalsContact CA-O 3.31Å; A234-T239 WeakPolarHBondContact CA-O 3.38Å; A234-T239 WeakPolarHBondContact CB-O 3.38Å; A234-T239 PolarHBondContact O-N 3.15Å; C237-T239 VanDerWaalsContact C-N 3.28Å; C237-T239 PolarHBondContact O-N 3.34Å; T239-W241 VanDerWaalsContact C-N 3.31Å; T239-W241 WeakPolarHBondContact CG2-O 3.49Å; T239-W241 PolarHBondContact OG1-N 2.86Å; T239-L244 HydrophobicContact CG2-CB 3.91Å; T239-W245 VanDerWaalsContact CG2-CD1 3.41Å; T239-W245 PolarHBondContact O-NE1 3.15Å
240R80.5Confident81.8Confident163 Ų16366.4 Ų66.462%0.61530%0.304SS*.SBendtrans-80.9-13.2171.4-59.6-170.4-173.1173.912.9113.2W231 A234 K242W231-R240 VanDerWaalsContact CH2-CZ 3.42Å; A234-R240 HydrophobicContact CB-CG 4.12Å; R240-K242 PolarHBondContact O-N 2.83Å
241W80Confident81.7Confident193 Ų19365.3 Ų65.373%0.73131%0.308SS*.  trans-82.3102.8-178.8-63.989.2000110.8T239 L243 L244T239-W241 VanDerWaalsContact C-N 3.31Å; T239-W241 WeakPolarHBondContact CG2-O 3.49Å; T239-W241 PolarHBondContact OG1-N 2.86Å; W241-L243 VanDerWaalsContact C-N 3.32Å; W241-L243 PolarHBondContact O-N 3.39Å; W241-L244 HydrophobicContact CB-CB 4.29Å; W241-L244 HydrophobicContact CB-CD1 3.72Å; W241-L244 HydrophobicContact CB-CG 3.76Å; W241-L244 HydrophobicContact CG-CD1 4.2Å; W241-L244 WeakPolarHBondContact O-CB 3.37Å; W241-L244 PolarHBondContact O-N 2.81Å
242K82.6Confident81.8Confident108 Ų10861.8 Ų61.847%0.4729%0.294SS..G310 helixtrans-57.9-38.2-172.7-60176.2-177171.20113.9R240 L244 W245R240-K242 PolarHBondContact O-N 2.83Å; K242-L244 PolarHBondContact O-N 3.4Å; K242-W245 HydrophobicContact CB-CD2 4.44Å; K242-W245 HydrophobicContact CB-CE3 4.43Å; K242-W245 HydrophobicContact CB-CZ3 4.5Å; K242-W245 HydrophobicContact CG-CH2 3.92Å; K242-W245 HydrophobicContact CG-CZ2 4Å; K242-W245 HydrophobicContact CG-CZ3 4.23Å; K242-W245 VanDerWaalsContact O-CB 3.27Å; K242-W245 WeakPolarHBondContact O-CB 3.32Å; K242-W245 VanDerWaalsContact O-CG 3.29Å; K242-W245 PolarHBondContact O-N 2.78Å; K242-W245 VanDerWaalsContact O-N 3.11Å
243L79.6Confident81.6Confident156 Ų15668.5 Ų68.582%0.81732%0.324SS*.G310 helixtrans-62.1-29.5178.2-64175.1000112.6W241 W245W241-L243 VanDerWaalsContact C-N 3.32Å; W241-L243 PolarHBondContact O-N 3.39Å; L243-W245 PolarHBondContact O-N 3.22Å
244L81.8Confident81.1Confident60 Ų6071.2 Ų71.231%0.31434%0.343SS..G310 helixtrans-75.3-13.2179.4-59.7-173.1000113.2T239 W241 K242 F246 L247 R250T239-L244 HydrophobicContact CG2-CB 3.91Å; W241-L244 HydrophobicContact CB-CB 4.29Å; W241-L244 HydrophobicContact CB-CD1 3.72Å; W241-L244 HydrophobicContact CB-CG 3.76Å; W241-L244 HydrophobicContact CG-CD1 4.2Å; W241-L244 WeakPolarHBondContact O-CB 3.37Å; W241-L244 PolarHBondContact O-N 2.81Å; K242-L244 PolarHBondContact O-N 3.4Å; L244-F246 VanDerWaalsContact C-N 3.25Å; L244-F246 PolarHBondContact O-N 3.24Å; L244-L247 HydrophobicContact CD2-CD1 3.34Å; L244-L247 HydrophobicContact CG-CD1 4.5Å; L244-L247 PolarHBondContact O-N 2.62Å; L244-R250 PolarHBondContact O-NE 3.48Å
245W81.4Confident80.4Confident27 Ų2774.2 Ų74.210%0.10236%0.359CS..G310 helixtrans-65.7-32.4179.9-62.1-5.8000111.9Q137 L233 C237 T239 K242 L243Q137-W245 PolarHBondContact NE2-O 2.86Å; L233-W245 HydrophobicContact CB-CH2 3.4Å; L233-W245 HydrophobicContact CB-CZ2 3.84Å; L233-W245 HydrophobicContact CB-CZ3 3.93Å; L233-W245 HydrophobicContact CD1-CH2 3.79Å; L233-W245 HydrophobicContact CD1-CZ3 3.76Å; L233-W245 HydrophobicContact CG-CH2 4.19Å; L233-W245 HydrophobicContact CG-CZ3 4.34Å; C237-W245 HydrophobicContact CB-CB 4.39Å; C237-W245 HydrophobicContact CB-CD2 4.17Å; C237-W245 HydrophobicContact CB-CG 3.72Å; C237-W245 VanDerWaalsContact SG-CG 3.59Å; T239-W245 VanDerWaalsContact CG2-CD1 3.41Å; T239-W245 PolarHBondContact O-NE1 3.15Å; K242-W245 HydrophobicContact CB-CD2 4.44Å; K242-W245 HydrophobicContact CB-CE3 4.43Å; K242-W245 HydrophobicContact CB-CZ3 4.5Å; K242-W245 HydrophobicContact CG-CH2 3.92Å; K242-W245 HydrophobicContact CG-CZ2 4Å; K242-W245 HydrophobicContact CG-CZ3 4.23Å; K242-W245 VanDerWaalsContact O-CB 3.27Å; K242-W245 WeakPolarHBondContact O-CB 3.32Å; K242-W245 VanDerWaalsContact O-CG 3.29Å; K242-W245 PolarHBondContact O-N 2.78Å; K242-W245 VanDerWaalsContact O-N 3.11Å; L243-W245 PolarHBondContact O-N 3.22Å
246F76.9Confident79.4Confident77 Ų7777 Ų7734%0.33837%0.372SS..G310 helixtrans-104.916.9-179.6-52.4-75.1000112.3F140 Y141 L244 P248F140-F246 HydrophobicContact CB-CD1 4.24Å; F140-F246 HydrophobicContact CB-CE1 4.17Å; F140-F246 AromaticContact CD1-CD1 3.71Å; F140-F246 HydrophobicContact CD1-CD1 3.71Å; F140-F246 HydrophobicContact CD1-CE1 4.28Å; F140-F246 HydrophobicContact CD1-CG 4.44Å; F140-F246 HydrophobicContact CD2-CD1 4.15Å; F140-F246 AromaticContact CD2-CE1 3.9Å; F140-F246 HydrophobicContact CD2-CE1 3.9Å; F140-F246 HydrophobicContact CE1-CB 4.46Å; F140-F246 HydrophobicContact CE1-CD1 4.06Å; F140-F246 HydrophobicContact CE1-CG 4.38Å; F140-F246 HydrophobicContact CE2-CD1 4.47Å; F140-F246 HydrophobicContact CE2-CE1 4.37Å; F140-F246 AromaticContact CG-CD1 3.75Å; F140-F246 HydrophobicContact CG-CD1 3.75Å; F140-F246 AromaticContact CG-CE1 3.84Å; F140-F246 HydrophobicContact CG-CE1 3.84Å; F140-F246 HydrophobicContact CZ-CD1 4.43Å; Y141-F246 PolarHBondContact OH-O 3.09Å; L244-F246 VanDerWaalsContact C-N 3.25Å; L244-F246 PolarHBondContact O-N 3.24Å; F246-P248 WeakPolarHBondContact O-CD 3.21Å
247L83Confident77.7Confident82 Ų8279.1 Ų79.143%0.42940%0.397SS..  trans-85.6115.9173.1-96152.4000109.8Q137 L244 L249 R250Q137-L247 PolarHBondContact NE2-O 3.37Å; L244-L247 HydrophobicContact CD2-CD1 3.34Å; L244-L247 HydrophobicContact CG-CD1 4.5Å; L244-L247 PolarHBondContact O-N 2.62Å; L247-L249 PolarHBondContact O-N 3.18Å; L247-R250 HydrophobicContact CB-CB 4.38Å
248P70.3Confident75.8Confident14 Ų1481.6 Ų81.69%0.09142%0.424CS..THydrogen-bonded Turntrans-80-15.9-16628.3-30.7000113.5L59 R66 Y141 F246L59-P248 HydrophobicContact CD1-CG 4.46Å; L59-P248 HydrophobicContact CD2-CB 3.96Å; L59-P248 HydrophobicContact CD2-CG 3.4Å; L59-P248 HydrophobicContact CG-CG 4.47Å; R66-P248 VanDerWaalsContact CZ-O 3.24Å; R66-P248 PolarHBondContact NH1-O 3.38Å; Y141-P248 HydrophobicContact CE2-CB 4.16Å; Y141-P248 WeakPolarHBondContact OH-CD 3.41Å; F246-P248 WeakPolarHBondContact O-CD 3.21Å
249L77Confident73.9Confident145 Ų14587.6 Ų87.676%0.75945%0.45SS*.THydrogen-bonded Turntrans-100.22.7-179.1-61.4176.9000113.3L247L247-L249 PolarHBondContact O-N 3.18Å
250R84.6Confident72.2Confident40 Ų4093.1 Ų93.115%0.15148%0.475CS..PPolyproline II helixtrans-77.9147.1-175.6-169.2-176.962.51214.2111.4R66 W133 C237 L244 L247R66-R250 PolarHBondContact NH2-O 3.16Å; W133-R250 VanDerWaalsContact CH2-O 3.31Å; W133-R250 WeakPolarHBondContact CH2-O 3.26Å; C237-R250 PolarHBondContact O-NH1 3.31Å; C237-R250 VanDerWaalsContact O-NH1 3.14Å; C237-R250 PolarHBondContact O-NH2 3.44Å; L244-R250 PolarHBondContact O-NE 3.48Å; L247-R250 HydrophobicContact CB-CB 4.38Å
251S80.8Confident70.8Confident77 Ų7786.3 Ų86.354%0.53845%0.449SS..PPolyproline II helixtrans-91.3135.7163-54.30000110.6Q253S251-Q253 PolarHBondContact O-N 3.32Å
252R82.4Confident69.2Low41 Ų4183.4 Ų83.416%0.15544%0.438CS..PPolyproline II helixtrans-69.1129.9174.5178.3174.5175.6-109.43.8109.5E129 D130 W133 E235 V236E129-R252 PolarHBondContact O-NH1 3.24Å; D130-R252 IonicContact OD1-NH1 3.2Å; D130-R252 PolarHBondContact OD1-NH1 3.2Å; D130-R252 VanDerWaalsContact OD1-NH1 3.14Å; W133-R252 HydrophobicContact CD2-CB 4.45Å; W133-R252 HydrophobicContact CZ2-CB 3.74Å; E235-R252 PolarHBondContact O-NH2 2.83Å; V236-R252 PolarHBondContact O-NE 2.74Å
253Q80Confident67.2Low149 Ų14980 Ų8070%0.69643%0.428SS*.  trans-109.3115.8166.2-67.3-154.7-18.300108.4G238 S251 L255G238-Q253 CarbonylContact C-O 3.38Å; G238-Q253 VanDerWaalsContact C-O 3.31Å; G238-Q253 WeakPolarHBondContact CA-O 3.48Å; S251-Q253 PolarHBondContact O-N 3.32Å; Q253-L255 PolarHBondContact O-N 2.59Å
254P73.3Confident65.3Low73 Ų7376 Ų7647%0.47441%0.405SS..  trans-56.1136.4175.3-2434.2000110.4H256P254-H256 WeakPolarHBondContact CB-O 3.37Å; P254-H256 PolarHBondContact O-N 2.95Å
255L71.5Confident62.9Low66 Ų6680.5 Ų80.535%0.34643%0.434SS..SBendtrans-68.8-11.3179-71.6178.1000113.4A234 Q253A234-L255 VanDerWaalsContact C-CD1 3.5Å; A234-L255 HydrophobicContact CB-CD1 3.77Å; A234-L255 VanDerWaalsContact O-CD1 3.25Å; A234-L255 WeakPolarHBondContact O-CD1 3.35Å; Q253-L255 PolarHBondContact O-N 2.59Å
256H65.5Low61.9Low100 Ų10083.2 Ų83.246%0.46345%0.451SS..SBendtrans-131.4145.7174.4-6381.3000108.9P254 R262P254-H256 WeakPolarHBondContact CB-O 3.37Å; P254-H256 PolarHBondContact O-N 2.95Å; H256-R262 PolarHBondContact NE2-NH1 3.39Å
257G49.5Very low61.2Low63 Ų6383.5 Ų83.565%0.64946%0.457SS*.  trans-53.6138.8177.700000111.9
258G45.7Very low59.9Low60 Ų6083.6 Ų83.662%0.61946%0.459SS*.THydrogen-bonded Turntrans-54.3143.3-179.300000111.7
259H43.6Very low59.3Low131 Ų13187.6 Ų87.661%0.60648%0.48SS*.THydrogen-bonded Turntrans93.12.8176.4-47.2-67.8000118.3Y261H259-Y261 VanDerWaalsContact O-CD2 3.3Å; H259-Y261 WeakPolarHBondContact O-CD2 3.42Å; H259-Y261 PolarHBondContact O-N 2.98Å; H259-Y261 VanDerWaalsContact O-N 3.09Å
260H46.2Very low58.2Low131 Ų13184.1 Ų84.161%0.60646%0.463SS*.  trans-78.395.6158.6-92.3-64.6000109.5E85 R262E85-H260 IonicContact OE1-ND1 3.7Å; H260-R262 HydrophobicContact CB-CG 4.45Å; H260-R262 PolarHBondContact O-N 3.09Å
261Y51.5Low56.5Low20 Ų2087 Ų878%0.07848%0.484CS..  trans-7463.8166.5-61.9-84.7000108L75 E85 W89 P100 H259 S263L75-Y261 HydrophobicContact CD2-CE1 3.88Å; E85-Y261 WeakPolarHBondContact OE2-CB 3.38Å; W89-Y261 AromaticContact CH2-CD1 3.99Å; W89-Y261 HydrophobicContact CH2-CD1 3.99Å; W89-Y261 AromaticContact CH2-CD2 3.77Å; W89-Y261 HydrophobicContact CH2-CD2 3.77Å; W89-Y261 AromaticContact CH2-CE1 3.77Å; W89-Y261 HydrophobicContact CH2-CE1 3.77Å; W89-Y261 AromaticContact CH2-CE2 3.57Å; W89-Y261 HydrophobicContact CH2-CE2 3.57Å; W89-Y261 AromaticContact CH2-CG 3.92Å; W89-Y261 HydrophobicContact CH2-CG 3.92Å; W89-Y261 AromaticContact CH2-CZ 3.54Å; W89-Y261 AromaticContact CZ2-CD1 3.85Å; W89-Y261 HydrophobicContact CZ2-CD1 3.85Å; W89-Y261 AromaticContact CZ2-CD2 3.29Å; W89-Y261 HydrophobicContact CZ2-CD2 3.29Å; W89-Y261 HydrophobicContact CZ2-CE1 4.1Å; W89-Y261 AromaticContact CZ2-CE2 3.6Å; W89-Y261 HydrophobicContact CZ2-CE2 3.6Å; W89-Y261 AromaticContact CZ2-CG 3.36Å; W89-Y261 HydrophobicContact CZ2-CG 3.36Å; W89-Y261 AromaticContact CZ2-CZ 3.98Å; P100-Y261 HydrophobicContact CB-CD1 4.08Å; P100-Y261 HydrophobicContact CB-CG 4.43Å; P100-Y261 HydrophobicContact CG-CD1 3.6Å; P100-Y261 HydrophobicContact CG-CE1 4.1Å; P100-Y261 HydrophobicContact CG-CG 4.41Å; H259-Y261 VanDerWaalsContact O-CD2 3.3Å; H259-Y261 WeakPolarHBondContact O-CD2 3.42Å; H259-Y261 PolarHBondContact O-N 2.98Å; H259-Y261 VanDerWaalsContact O-N 3.09Å; Y261-S263 PolarHBondContact O-N 3.38Å
262R46.3Very low54.7Low131 Ų13187.7 Ų87.749%0.49448%0.48SS..  trans-55.8118.8-164.1-119.9-177.3-179.9170.70.6109.5H256 H260 H264H256-R262 PolarHBondContact NE2-NH1 3.39Å; H260-R262 HydrophobicContact CB-CG 4.45Å; H260-R262 PolarHBondContact O-N 3.09Å; R262-H264 PolarHBondContact O-CD2 3Å; R262-H264 VanDerWaalsContact O-CD2 3.24Å; R262-H264 PolarHBondContact O-N 2.67Å; R262-H264 VanDerWaalsContact O-N 3.13Å
263S40.5Very low52.6Low37 Ų3791.3 Ų91.326%0.25951%0.505SS..  trans-42.2115.1147.2-35.20000108.8Q88 Y261 V265Q88-S263 PolarHBondContact NE2-OG 2.83Å; Q88-S263 PolarHBondContact OE1-OG 3.23Å; Y261-S263 PolarHBondContact O-N 3.38Å; S263-V265 VanDerWaalsContact C-N 3.26Å; S263-V265 PolarHBondContact O-N 2.58Å
264H40.2Very low50.3Low71 Ų7186.5 Ų86.533%0.32949%0.489SS..  trans-87.983.9156.6-69-109.7000105.6D208 R227 R262D208-H264 IonicContact OD2-CE1 3.65Å; D208-H264 IonicContact OD2-ND1 2.72Å; R227-H264 VanDerWaalsContact CZ-CE1 3.44Å; R227-H264 PolarHBondContact NH1-CE1 2.95Å; R227-H264 PolarHBondContact NH2-CE1 3.14Å; R227-H264 PolarHBondContact NH2-ND1 3.15Å; R262-H264 PolarHBondContact O-CD2 3Å; R262-H264 VanDerWaalsContact O-CD2 3.24Å; R262-H264 PolarHBondContact O-N 2.67Å; R262-H264 VanDerWaalsContact O-N 3.13Å
265V30.3Very low48.2Very low155 Ų15587.7 Ų87.794%0.93949%0.49SS*.  trans-870155.7-174.40000106.7S263S263-V265 VanDerWaalsContact C-N 3.26Å; S263-V265 PolarHBondContact O-N 2.58Å

Retrieved 265 of 265 residues in 80.9 ms (Link to these results)

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