A0A060YEB4_ONCMY Loading...

3-oxo-5-alpha-steroid 4-dehydrogenase

Converts testosterone (T) into 5-alpha-dihydrotestosterone (DHT) and progesterone or corticosterone into their corresponding 5-alpha-3-oxosteroids. It plays a central role in sexual differentiation and androgen physiology. Converts testosterone into 5-alpha-dihydrotestosterone and progesterone or corticosterone into their corresponding 5-alpha-3-oxosteroids. It plays a central role in sexual differentiation and androgen physiology.

AlphaFold DB , UniProt , Accession A0A060YEB4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110493760, Length 253 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
1M68.4Low91.4Very high128 Ų12897.8 Ų97.863%0.63148%0.479SS*.  0144.60-77.6-178.5-97.500108.7L67 H131M1-L67 HydrophobicContact CE-CD2 4.28Å; M1-H131 PolarHBondContact O-CE1 3.19Å; M1-H131 PolarHBondContact O-ND1 3.44Å
2E84.6Confident91.9Very high173 Ų17389.8 Ų89.881%0.80844%0.44SS*.  trans-80.3160.4175.6-66.7-178.1167.900111.9K4 H127E2-K4 PolarHBondContact O-N 3.09Å; E2-H127 PolarHBondContact O-NE2 3.26Å
3C89.8Confident92.4Very high41 Ų4194.2 Ų94.228%0.27745%0.449SS..  trans-62.5130.9174.9178.60000111E5 H131 C132C3-E5 HydrophobicContact CB-CG 4.38Å; C3-E5 PolarHBondContact O-N 3.18Å; C3-E5 WeakPolarHBondContact SG-CG 3.49Å; C3-H131 HydrophobicContact CB-CB 4.46Å; C3-H131 WeakPolarHBondContact CB-O 3.3Å; C3-C132 VanDerWaalsContact CA-SG 3.56Å; C3-C132 HydrophobicContact CB-CB 4.05Å; C3-C132 WeakPolarHBondContact CB-SG 3.41Å; C3-C132 VanDerWaalsContact SG-CA 3.5Å; C3-C132 WeakPolarHBondContact SG-CB 3.4Å; C3-C132 CovalentContact SG-SG 2.03Å; C3-C132 PolarHBondContact SG-SG 2.91Å
4K92.7Very high92.8Very high104 Ų10490.4 Ų90.445%0.45245%0.447SS..  trans-100.662.4177.9-65.4-176.2179.7178.40110.2E2 N6 V7 I8 H127E2-K4 PolarHBondContact O-N 3.09Å; K4-N6 PolarHBondContact O-N 3.03Å; K4-V7 HydrophobicContact CB-CB 4.13Å; K4-V7 HydrophobicContact CB-CG2 4.24Å; K4-V7 PolarHBondContact O-N 3.11Å; K4-I8 WeakPolarHBondContact O-CG1 3.39Å; K4-I8 PolarHBondContact O-N 2.93Å; K4-H127 PolarHBondContact N-NE2 3.43Å
5E92Very high93.1Very high125 Ų12585.5 Ų85.558%0.58442%0.422SS*.Hα-helixtrans-50.3-51-170.5-67.4-175.6173.100113.2C3 V7 I8 H9C3-E5 HydrophobicContact CB-CG 4.38Å; C3-E5 PolarHBondContact O-N 3.18Å; C3-E5 WeakPolarHBondContact SG-CG 3.49Å; E5-V7 VanDerWaalsContact C-N 3.27Å; E5-V7 PolarHBondContact O-N 3.34Å; E5-I8 PolarHBondContact O-N 3.33Å; E5-I8 VanDerWaalsContact O-N 3.13Å; E5-H9 PolarHBondContact O-CD2 3.16Å; E5-H9 VanDerWaalsContact O-CD2 3.23Å; E5-H9 PolarHBondContact O-N 3.15Å
6N95Very high93.4Very high143 Ų14381.6 Ų81.677%0.76540%0.403SS*.Hα-helixtrans-57.6-39.4-179.3-69.9-27.3000112.7K4 F10K4-N6 PolarHBondContact O-N 3.03Å; N6-F10 VanDerWaalsContact O-CB 3.26Å; N6-F10 WeakPolarHBondContact O-CB 3.36Å; N6-F10 PolarHBondContact O-N 3.14Å
7V95.6Very high93.6Very high65 Ų6582.5 Ų82.539%0.39441%0.414SS..Hα-helixtrans-69-45.8178.4178.30000110K4 E5 F10 L11 F123K4-V7 HydrophobicContact CB-CB 4.13Å; K4-V7 HydrophobicContact CB-CG2 4.24Å; K4-V7 PolarHBondContact O-N 3.11Å; E5-V7 VanDerWaalsContact C-N 3.27Å; E5-V7 PolarHBondContact O-N 3.34Å; V7-F10 PolarHBondContact O-N 3.34Å; V7-L11 HydrophobicContact CG1-CD1 3.9Å; V7-L11 HydrophobicContact CG1-CG 4.32Å; V7-L11 WeakPolarHBondContact O-CB 3.25Å; V7-L11 VanDerWaalsContact O-CG 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.31Å; V7-L11 PolarHBondContact O-N 2.86Å; V7-F123 HydrophobicContact CG1-CE1 4.31Å
8I96.3Very high93.7Very high5 Ų579.3 Ų79.33%0.02641%0.406CS..Hα-helixtrans-62.1-45.4179.4-62.9-62.1000111K4 E5 L11 S12 L124 H127 Y128 T211K4-I8 WeakPolarHBondContact O-CG1 3.39Å; K4-I8 PolarHBondContact O-N 2.93Å; E5-I8 PolarHBondContact O-N 3.33Å; E5-I8 VanDerWaalsContact O-N 3.13Å; I8-L11 PolarHBondContact O-N 2.87Å; I8-S12 WeakPolarHBondContact O-CB 3.5Å; I8-S12 PolarHBondContact O-N 3.02Å; I8-S12 PolarHBondContact O-OG 3.29Å; I8-L124 HydrophobicContact CB-CD1 4.34Å; I8-L124 HydrophobicContact CD1-CD1 3.72Å; I8-L124 HydrophobicContact CG2-CD1 3.9Å; I8-H127 HydrophobicContact CD1-CB 4.17Å; I8-Y128 HydrophobicContact CG2-CD2 4.03Å; I8-T211 HydrophobicContact CG2-CG2 4.23Å; I8-T211 VanDerWaalsContact CG2-OG1 3.26Å; I8-T211 WeakPolarHBondContact CG2-OG1 3.3Å
9H95.9Very high93.8Very high93 Ų9375.2 Ų75.243%0.43139%0.385SS..Hα-helixtrans-62.8-45.9177-82.7-72.1000112.1E5 L11 S12 W13E5-H9 PolarHBondContact O-CD2 3.16Å; E5-H9 VanDerWaalsContact O-CD2 3.23Å; E5-H9 PolarHBondContact O-N 3.15Å; H9-L11 PolarHBondContact O-N 3.25Å; H9-S12 PolarHBondContact O-N 2.96Å; H9-W13 VanDerWaalsContact O-CD1 3.28Å; H9-W13 PolarHBondContact O-N 3.22Å
10F97.5Very high93.9Very high161 Ų16175 Ų7571%0.70639%0.387SS*.Hα-helixtrans-60.6-46.6178180-97000111.9N6 V7 W13 G14N6-F10 VanDerWaalsContact O-CB 3.26Å; N6-F10 WeakPolarHBondContact O-CB 3.36Å; N6-F10 PolarHBondContact O-N 3.14Å; V7-F10 PolarHBondContact O-N 3.34Å; F10-W13 PolarHBondContact O-N 3.23Å; F10-G14 PolarHBondContact O-N 3.25Å
11L97.4Very high93.9Very high38 Ų3874 Ų7420%0.19939%0.39CS..Hα-helixtrans-64.1-40.8177.7-70177.4000112V7 I8 H9 G14 F15 V120 F123 L124V7-L11 HydrophobicContact CG1-CD1 3.9Å; V7-L11 HydrophobicContact CG1-CG 4.32Å; V7-L11 WeakPolarHBondContact O-CB 3.25Å; V7-L11 VanDerWaalsContact O-CG 3.26Å; V7-L11 WeakPolarHBondContact O-CG 3.31Å; V7-L11 PolarHBondContact O-N 2.86Å; I8-L11 PolarHBondContact O-N 2.87Å; H9-L11 PolarHBondContact O-N 3.25Å; L11-G14 CarbonylContact O-C 3.58Å; L11-G14 WeakPolarHBondContact O-CA 3.48Å; L11-G14 PolarHBondContact O-N 2.74Å; L11-F15 WeakPolarHBondContact O-CD2 3.44Å; L11-F15 PolarHBondContact O-N 2.6Å; L11-V120 HydrophobicContact CD1-CG1 4.26Å; L11-V120 HydrophobicContact CD2-CG1 3.92Å; L11-F123 HydrophobicContact CD1-CD1 4.18Å; L11-F123 HydrophobicContact CD1-CE1 4.31Å; L11-L124 HydrophobicContact CB-CD1 3.86Å; L11-L124 HydrophobicContact CB-CD2 4.2Å; L11-L124 HydrophobicContact CD1-CD1 4.28Å
12S97.8Very high94.9Very high1 Ų171.1 Ų71.11%0.00737%0.372CS..Hα-helixtrans-62.6-44.8177.9-570000111.8I8 H9 G14 F15 I16 T211 S214I8-S12 WeakPolarHBondContact O-CB 3.5Å; I8-S12 PolarHBondContact O-N 3.02Å; I8-S12 PolarHBondContact O-OG 3.29Å; H9-S12 PolarHBondContact O-N 2.96Å; S12-G14 VanDerWaalsContact C-N 3.33Å; S12-F15 WeakPolarHBondContact O-CB 3.27Å; S12-F15 PolarHBondContact O-N 3.44Å; S12-I16 WeakPolarHBondContact O-CG1 3.38Å; S12-I16 PolarHBondContact O-N 2.74Å; S12-T211 WeakPolarHBondContact OG-CA 3.37Å; S12-S214 VanDerWaalsContact O-CB 3.29Å; S12-S214 WeakPolarHBondContact O-CB 3.18Å
13W98Very high95.4Very high148 Ų14865.9 Ų65.956%0.56135%0.35SS*.Hα-helixtrans-65.4-37.5173.3-80.3114.6000112.3H9 F10 F15 I16 V17H9-W13 VanDerWaalsContact O-CD1 3.28Å; H9-W13 PolarHBondContact O-N 3.22Å; F10-W13 PolarHBondContact O-N 3.23Å; W13-F15 VanDerWaalsContact C-N 3.31Å; W13-F15 PolarHBondContact O-N 3.36Å; W13-I16 HydrophobicContact CD2-CD1 4.38Å; W13-I16 HydrophobicContact CE3-CB 4.33Å; W13-I16 HydrophobicContact CE3-CD1 3.83Å; W13-I16 HydrophobicContact CE3-CG2 4.36Å; W13-I16 HydrophobicContact CZ3-CD1 4Å; W13-I16 HydrophobicContact CZ3-CG2 4.36Å; W13-I16 PolarHBondContact O-N 3.03Å; W13-V17 WeakPolarHBondContact O-CG2 3.43Å; W13-V17 PolarHBondContact O-N 3.15Å
14G97.6Very high95.5Very high40 Ų4068.8 Ų68.841%0.41236%0.362SS..Hα-helixtrans-57.7-41.7171.600000112.7F10 L11 S12 G18F10-G14 PolarHBondContact O-N 3.25Å; L11-G14 CarbonylContact O-C 3.58Å; L11-G14 WeakPolarHBondContact O-CA 3.48Å; L11-G14 PolarHBondContact O-N 2.74Å; S12-G14 VanDerWaalsContact C-N 3.33Å; G14-G18 WeakPolarHBondContact O-CA 3.43Å; G14-G18 PolarHBondContact O-N 3.07Å
15F97.4Very high95.4Very high17 Ų1769 Ų698%0.07536%0.364CS..Hα-helixtrans-64.3-42.4174.6-90.7-130.2000111.8L11 S12 W13 G18 A19 F117 V120 N121 L124 F215 F218L11-F15 WeakPolarHBondContact O-CD2 3.44Å; L11-F15 PolarHBondContact O-N 2.6Å; S12-F15 WeakPolarHBondContact O-CB 3.27Å; S12-F15 PolarHBondContact O-N 3.44Å; W13-F15 VanDerWaalsContact C-N 3.31Å; W13-F15 PolarHBondContact O-N 3.36Å; F15-G18 PolarHBondContact O-N 2.7Å; F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 3.28Å; F15-A19 PolarHBondContact O-N 3.44Å; F15-F117 HydrophobicContact CD1-CE2 4.11Å; F15-F117 HydrophobicContact CD1-CZ 4.3Å; F15-F117 HydrophobicContact CE1-CD2 4.4Å; F15-F117 AromaticContact CE1-CE2 3.44Å; F15-F117 HydrophobicContact CE1-CE2 3.44Å; F15-F117 VanDerWaalsContact CE1-CE2 3.44Å; F15-F117 AromaticContact CE1-CZ 3.52Å; F15-F117 HydrophobicContact CE1-CZ 3.52Å; F15-F117 HydrophobicContact CE2-CE2 4.32Å; F15-F117 HydrophobicContact CZ-CD2 4.09Å; F15-F117 AromaticContact CZ-CE2 3.56Å; F15-F117 HydrophobicContact CZ-CE2 3.56Å; F15-F117 AromaticContact CZ-CZ 3.98Å; F15-F117 HydrophobicContact CZ-CZ 3.98Å; F15-V120 HydrophobicContact CE2-CG1 3.85Å; F15-V120 HydrophobicContact CZ-CG1 4.34Å; F15-N121 HydrophobicContact CE1-CB 4.07Å; F15-N121 HydrophobicContact CZ-CB 3.91Å; F15-L124 HydrophobicContact CD2-CD2 4.32Å; F15-L124 HydrophobicContact CE1-CD2 4.48Å; F15-L124 HydrophobicContact CE2-CD2 4.29Å; F15-L124 HydrophobicContact CG-CD2 4.45Å; F15-L124 HydrophobicContact CZ-CD2 4.37Å; F15-F215 HydrophobicContact CD1-CB 4.43Å; F15-F215 HydrophobicContact CD1-CD2 4.46Å; F15-F215 HydrophobicContact CE1-CD2 4.13Å; F15-F218 HydrophobicContact CD1-CB 4.31Å
16I97.9Very high95.1Very high23 Ų2363.2 Ų63.212%0.11834%0.338CS..Hα-helixtrans-63.4-49.9177.4-67.2167.2000111S12 W13 G18 A19 V20 L210 L217S12-I16 WeakPolarHBondContact O-CG1 3.38Å; S12-I16 PolarHBondContact O-N 2.74Å; W13-I16 HydrophobicContact CD2-CD1 4.38Å; W13-I16 HydrophobicContact CE3-CB 4.33Å; W13-I16 HydrophobicContact CE3-CD1 3.83Å; W13-I16 HydrophobicContact CE3-CG2 4.36Å; W13-I16 HydrophobicContact CZ3-CD1 4Å; W13-I16 HydrophobicContact CZ3-CG2 4.36Å; W13-I16 PolarHBondContact O-N 3.03Å; I16-G18 VanDerWaalsContact C-N 3.33Å; I16-G18 PolarHBondContact O-N 2.78Å; I16-A19 WeakPolarHBondContact O-CB 3.35Å; I16-A19 PolarHBondContact O-N 3.24Å; I16-V20 PolarHBondContact O-N 2.72Å; I16-V20 VanDerWaalsContact O-N 3.13Å; I16-L210 HydrophobicContact CD1-CD1 3.94Å; I16-L217 HydrophobicContact CB-CD2 4.39Å; I16-L217 HydrophobicContact CG1-CD2 4.14Å; I16-L217 HydrophobicContact CG2-CD2 4Å
17V97.5Very high94.6Very high97 Ų9760.9 Ų60.959%0.58833%0.329SS*.Hα-helixtrans-62.9-43.7178.4173.50000110.5W13 A19 V20 A21W13-V17 WeakPolarHBondContact O-CG2 3.43Å; W13-V17 PolarHBondContact O-N 3.15Å; V17-A19 VanDerWaalsContact C-N 3.33Å; V17-A19 PolarHBondContact O-N 2.76Å; V17-V20 PolarHBondContact O-N 2.96Å; V17-A21 WeakPolarHBondContact O-CB 3.43Å; V17-A21 PolarHBondContact O-N 2.74Å
18G95.5Very high94Very high26 Ų2668.1 Ų68.127%0.26835%0.349SS..Hα-helixtrans-59.8-41175.200000112.6G14 F15 I16 A21 Y22G14-G18 WeakPolarHBondContact O-CA 3.43Å; G14-G18 PolarHBondContact O-N 3.07Å; F15-G18 PolarHBondContact O-N 2.7Å; I16-G18 VanDerWaalsContact C-N 3.33Å; I16-G18 PolarHBondContact O-N 2.78Å; G18-A21 PolarHBondContact O-N 3.03Å; G18-Y22 WeakPolarHBondContact O-CB 3.13Å; G18-Y22 PolarHBondContact O-N 3.09Å
19A95.3Very high93.3Very high1 Ų171.7 Ų71.71%0.00837%0.371CS..Hα-helixtrans-59.8-49.7176.900000111.3F15 I16 V17 Y22 L23 L217 F218 C221F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 3.28Å; F15-A19 PolarHBondContact O-N 3.44Å; I16-A19 WeakPolarHBondContact O-CB 3.35Å; I16-A19 PolarHBondContact O-N 3.24Å; V17-A19 VanDerWaalsContact C-N 3.33Å; V17-A19 PolarHBondContact O-N 2.76Å; A19-Y22 PolarHBondContact O-N 3.42Å; A19-L23 WeakPolarHBondContact O-CB 3.44Å; A19-L23 PolarHBondContact O-N 3.2Å; A19-L217 HydrophobicContact CB-CG 4.26Å; A19-F218 HydrophobicContact CB-CB 4.1Å; A19-F218 HydrophobicContact CB-CD2 3.96Å; A19-F218 HydrophobicContact CB-CG 4.41Å; A19-C221 HydrophobicContact CB-CB 3.88Å; A19-C221 WeakPolarHBondContact O-CB 3Å
20V95.3Very high92.7Very high71 Ų7171.3 Ų71.343%0.4337%0.37SS..Hα-helixtrans-64.4-45.5178.8176.70000111I16 V17 Y22 L23 L24I16-V20 PolarHBondContact O-N 2.72Å; I16-V20 VanDerWaalsContact O-N 3.13Å; V17-V20 PolarHBondContact O-N 2.96Å; V20-Y22 VanDerWaalsContact C-N 3.32Å; V20-Y22 PolarHBondContact O-N 2.98Å; V20-L23 PolarHBondContact O-N 3.31Å; V20-L24 HydrophobicContact CG1-CD1 4.19Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 3.01Å
21A94.2Very high91.8Very high55 Ų5564.7 Ų64.746%0.45534%0.342SS..Hα-helixtrans-60.4-43.1177.600000111.7V17 G18 L24 Q25V17-A21 WeakPolarHBondContact O-CB 3.43Å; V17-A21 PolarHBondContact O-N 2.74Å; G18-A21 PolarHBondContact O-N 3.03Å; A21-L24 PolarHBondContact O-N 3.25Å; A21-Q25 WeakPolarHBondContact O-CB 3.12Å; A21-Q25 PolarHBondContact O-N 2.69Å
22Y90.8Very high90.9Very high66 Ų6665 Ų6526%0.25935%0.346SS..Hα-helixtrans-69.5-38.8179.9-161.2-119.2000112.3G18 A19 V20 Q25 Q26 T31G18-Y22 WeakPolarHBondContact O-CB 3.13Å; G18-Y22 PolarHBondContact O-N 3.09Å; A19-Y22 PolarHBondContact O-N 3.42Å; V20-Y22 VanDerWaalsContact C-N 3.32Å; V20-Y22 PolarHBondContact O-N 2.98Å; Y22-Q25 PolarHBondContact O-N 3.06Å; Y22-Q26 HydrophobicContact CD1-CG 4.45Å; Y22-Q26 HydrophobicContact CE1-CG 4.35Å; Y22-Q26 WeakPolarHBondContact O-CB 3.28Å; Y22-Q26 WeakPolarHBondContact O-CG 3.36Å; Y22-Q26 PolarHBondContact O-N 3.42Å; Y22-T31 WeakPolarHBondContact OH-CG2 3.45Å; Y22-T31 PolarHBondContact OH-OG1 2.95Å
23L93.3Very high89.9Confident63 Ų6367.5 Ų67.533%0.3336%0.356SS..Hα-helixtrans-56.6-52.3171173.960.5000110.7A19 V20 Q25 Q26 T27 C221 P225A19-L23 WeakPolarHBondContact O-CB 3.44Å; A19-L23 PolarHBondContact O-N 3.2Å; V20-L23 PolarHBondContact O-N 3.31Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 PolarHBondContact O-N 2.81Å; L23-Q26 PolarHBondContact O-N 3.38Å; L23-Q26 VanDerWaalsContact O-N 3.16Å; L23-T27 WeakPolarHBondContact O-CG2 3.13Å; L23-T27 PolarHBondContact O-N 2.99Å; L23-T27 VanDerWaalsContact O-N 3.13Å; L23-C221 HydrophobicContact CB-CB 4.01Å; L23-P225 HydrophobicContact CD1-CB 4.47Å; L23-P225 HydrophobicContact CD1-CG 3.3Å
24L92.4Very high89.1Confident102 Ų10261.3 Ų61.353%0.53434%0.338SS..Hα-helixtrans-60.7-41.5178.9-69.2174.1000111.8V20 A21 T27V20-L24 HydrophobicContact CG1-CD1 4.19Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 3.01Å; A21-L24 PolarHBondContact O-N 3.25Å; L24-T27 PolarHBondContact O-N 3.49Å; L24-T27 PolarHBondContact O-OG1 3.24Å
25Q90Very high88.3Confident108 Ų10861.2 Ų61.251%0.50533%0.325SS..Hα-helixtrans-60.9-45.6174.8-175.2-178.58.400111.3A21 Y22 L23 T27 R28 T29A21-Q25 WeakPolarHBondContact O-CB 3.12Å; A21-Q25 PolarHBondContact O-N 2.69Å; Y22-Q25 PolarHBondContact O-N 3.06Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-Q25 PolarHBondContact O-N 2.81Å; Q25-T27 PolarHBondContact O-N 3.04Å; Q25-R28 WeakPolarHBondContact O-CA 3.41Å; Q25-R28 PolarHBondContact O-N 3.2Å; Q25-T29 PolarHBondContact O-N 2.84Å; Q25-T29 PolarHBondContact O-OG1 3.2Å
26Q87.1Confident87.5Confident4 Ų461.5 Ų61.52%0.01933%0.326CS..Hα-helixtrans-67.5-19.9-178.4-76.9-159.930.500114.5Y22 L23 R28 T29 S222 P225 H229Y22-Q26 HydrophobicContact CD1-CG 4.45Å; Y22-Q26 HydrophobicContact CE1-CG 4.35Å; Y22-Q26 WeakPolarHBondContact O-CB 3.28Å; Y22-Q26 WeakPolarHBondContact O-CG 3.36Å; Y22-Q26 PolarHBondContact O-N 3.42Å; L23-Q26 PolarHBondContact O-N 3.38Å; L23-Q26 VanDerWaalsContact O-N 3.16Å; Q26-R28 PolarHBondContact O-N 2.9Å; Q26-T29 VanDerWaalsContact CA-O 3.31Å; Q26-T29 WeakPolarHBondContact CA-O 3.3Å; Q26-S222 PolarHBondContact NE2-O 3.27Å; Q26-S222 PolarHBondContact OE1-O 2.97Å; Q26-P225 HydrophobicContact CB-CB 3.94Å; Q26-P225 HydrophobicContact CB-CG 4.33Å; Q26-H229 PolarHBondContact O-NE2 3.31Å
27T83.8Confident86.3Confident95 Ų9562.2 Ų62.258%0.58333%0.331SS*.Hα-helixtrans-68.6-23.2169.2670000112.7L23 L24 Q25L23-T27 WeakPolarHBondContact O-CG2 3.13Å; L23-T27 PolarHBondContact O-N 2.99Å; L23-T27 VanDerWaalsContact O-N 3.13Å; L24-T27 PolarHBondContact O-N 3.49Å; L24-T27 PolarHBondContact O-OG1 3.24Å; Q25-T27 PolarHBondContact O-N 3.04Å
28R83.6Confident84.4Confident217 Ų21762.1 Ų62.182%0.81933%0.331SS*.Hα-helixtrans-101.1-40.9-177.9-58.7-178.7-176.7179.10.7112.6Q25 Q26Q25-R28 WeakPolarHBondContact O-CA 3.41Å; Q25-R28 PolarHBondContact O-N 3.2Å; Q26-R28 PolarHBondContact O-N 2.9Å
29T81.7Confident82.2Confident79 Ų7966.2 Ų66.249%0.48536%0.356SS..SBendtrans-137.6141.6-174.755.10000112Q25 Q26Q25-T29 PolarHBondContact O-N 2.84Å; Q25-T29 PolarHBondContact O-OG1 3.2Å; Q26-T29 VanDerWaalsContact CA-O 3.31Å; Q26-T29 WeakPolarHBondContact CA-O 3.3Å
30Q82.6Confident79.8Confident86 Ų8673.7 Ų73.740%0.40240%0.395SS..  trans-83.8137.1177.4-67.9167.6-16.800110.4P32 Y36 H229Q30-P32 WeakPolarHBondContact O-CD 3.15Å; Q30-Y36 HydrophobicContact CB-CD1 4.19Å; Q30-Y36 HydrophobicContact CB-CD2 4.23Å; Q30-Y36 HydrophobicContact CB-CG 3.94Å; Q30-Y36 HydrophobicContact CG-CD1 4.33Å; Q30-Y36 HydrophobicContact CG-CE1 4.42Å; Q30-H229 HydrophobicContact CG-CB 4.45Å; Q30-H229 PolarHBondContact NE2-ND1 3.23Å
31T77.9Confident77.5Confident21 Ų2172.1 Ų72.113%0.12939%0.394CS..  trans-63.3119.9174-49.80000109.5Y22 Y33 I110Y22-T31 WeakPolarHBondContact OH-CG2 3.45Å; Y22-T31 PolarHBondContact OH-OG1 2.95Å; T31-Y33 HydrophobicContact CG2-CD1 4.14Å; T31-Y33 PolarHBondContact O-N 3.13Å; T31-I110 HydrophobicContact CG2-CD1 4.44Å
32P79.7Confident75.3Confident44 Ų4476.1 Ų76.129%0.28641%0.412SS..SBendtrans-82.964.2-165.835.3-39.1000111.9Q30 Y109 I110Q30-P32 WeakPolarHBondContact O-CD 3.15Å; P32-Y109 WeakPolarHBondContact CG-OH 3.5Å; P32-I110 HydrophobicContact CG-CD1 4.25Å
33Y76.9Confident73.5Confident55 Ų5577.2 Ų77.222%0.21643%0.428CS..SBendtrans-133.7152.3167.693.3-102.1000111.6T31 R35 W53 R226T31-Y33 HydrophobicContact CG2-CD1 4.14Å; T31-Y33 PolarHBondContact O-N 3.13Å; Y33-R35 PolarHBondContact O-N 3.37Å; Y33-W53 HydrophobicContact CE2-CZ2 4.24Å; Y33-R226 VanDerWaalsContact CD1-NH1 3.28Å; Y33-R226 VanDerWaalsContact CZ-NH1 3.33Å; Y33-R226 PolarHBondContact O-NH2 3.38Å; Y33-R226 VanDerWaalsContact O-NH2 3.12Å; Y33-R226 PolarHBondContact OH-NE 2.95Å; Y33-R226 PolarHBondContact OH-NH2 3.06Å
34G80.5Confident72.2Confident17 Ų1776.4 Ų76.418%0.17544%0.435CS..G310 helixtrans73.3-108.9-179.500000112.1Y36 Y177G34-Y36 VanDerWaalsContact C-N 3.34Å; G34-Y177 PolarHBondContact O-OH 3.3Å
35R80.5Confident71.9Confident39 Ų3981.8 Ų81.815%0.14745%0.448CS..G310 helixtrans-73.9-25-179.4-76.8176.7-135.6-167.33.3113.8Y33 Y177 Y234Y33-R35 PolarHBondContact O-N 3.37Å; R35-Y177 WeakPolarHBondContact CA-OH 3.44Å; R35-Y177 HydrophobicContact CB-CE1 4.45Å; R35-Y177 HydrophobicContact CG-CD1 3.79Å; R35-Y177 HydrophobicContact CG-CD2 4.38Å; R35-Y177 HydrophobicContact CG-CE1 3.06Å; R35-Y177 HydrophobicContact CG-CE2 3.77Å; R35-Y177 HydrophobicContact CG-CG 4.41Å; R35-Y177 VanDerWaalsContact CG-OH 3.23Å; R35-Y177 WeakPolarHBondContact CG-OH 3.48Å; R35-Y177 PolarHBondContact N-OH 3.33Å; R35-Y234 PolarHBondContact NH1-OH 3.45Å; R35-Y234 PolarHBondContact NH2-OH 2.99Å
36Y80.6Confident71.8Confident22 Ų2279.9 Ų79.99%0.08644%0.444CS..G310 helixtrans-10111.1-169.6-50-59.1000113.1Q30 G34 T38 H229 H230Q30-Y36 HydrophobicContact CB-CD1 4.19Å; Q30-Y36 HydrophobicContact CB-CD2 4.23Å; Q30-Y36 HydrophobicContact CB-CG 3.94Å; Q30-Y36 HydrophobicContact CG-CD1 4.33Å; Q30-Y36 HydrophobicContact CG-CE1 4.42Å; G34-Y36 VanDerWaalsContact C-N 3.34Å; Y36-T38 PolarHBondContact O-N 3.2Å; Y36-H229 HydrophobicContact CE1-CB 4.48Å; Y36-H229 HydrophobicContact CE2-CB 4.42Å; Y36-H229 WeakPolarHBondContact OH-CB 2.97Å; Y36-H229 PolarHBondContact OH-O 3.29Å; Y36-H229 VanDerWaalsContact OH-O 3.05Å; Y36-H230 AromaticContact CE2-CE1 3.55Å; Y36-H230 AromaticContact CE2-ND1 3.68Å; Y36-H230 AromaticContact CZ-CE1 3.88Å; Y36-H230 AromaticContact CZ-ND1 3.58Å; Y36-H230 PolarHBondContact OH-N 3.01Å; Y36-H230 VanDerWaalsContact OH-N 3.17Å; Y36-H230 PolarHBondContact OH-ND1 3.34Å
37V72.6Confident71.9Confident38 Ų3880.1 Ų80.123%0.2345%0.446CS..  trans-72.5106.4167.7-176.70000106.7
38T58.1Low72.3Confident96 Ų9679.6 Ų79.659%0.58944%0.444SS*.  trans-63.7136.2174.8440000110.2Y36 D40Y36-T38 PolarHBondContact O-N 3.2Å; T38-D40 PolarHBondContact O-N 3.31Å
39S49.2Very low72.7Confident112 Ų11269.6 Ų69.678%0.78341%0.408SS*.THydrogen-bonded Turntrans-66.4-18.7174.5-48.50000112.9
40D46.2Very low73.3Confident158 Ų15871.3 Ų71.385%0.84541%0.409SS*.THydrogen-bonded Turntrans-113.18.2-159.2-52.5-26.3000114.8T38T38-D40 PolarHBondContact O-N 3.31Å
41G46.5Very low73.9Confident38 Ų3871.2 Ų71.239%0.39241%0.411SS..SBendtrans-131.4118.9176.100000108.8P43G41-P43 WeakPolarHBondContact O-CD 3.48Å
42T46.8Very low74.7Confident138 Ų13870.2 Ų70.285%0.84740%0.404SS*.  trans-31.2107.9-177.434.80000111G44T42-G44 VanDerWaalsContact C-N 3.31Å; T42-G44 PolarHBondContact O-N 3.18Å
43P53.8Low75.5Confident89 Ų8969.7 Ų69.758%0.57840%0.397SS*.  trans-65108171.326.4-28.2000103.9G41 T46G41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-T46 HydrophobicContact CB-CG2 3.86Å
44G65.4Low76.5Confident47 Ų4769.8 Ų69.849%0.48540%0.398SS..  trans-46.2153.5161.700000108.1T42 T46T42-G44 VanDerWaalsContact C-N 3.31Å; T42-G44 PolarHBondContact O-N 3.18Å; G44-T46 WeakPolarHBondContact O-CG2 3.5Å; G44-T46 PolarHBondContact O-N 2.8Å
45R85.4Confident77.2Confident215 Ų21572.2 Ų72.281%0.81141%0.407SS*.SBendtrans-31.7123.5-175.3-68.8178.9179.5176.6-0.5112.1L108R45-L108 HydrophobicContact CB-CD1 3.5Å; R45-L108 VanDerWaalsContact CB-CD1 3.5Å; R45-L108 HydrophobicContact CB-CG 4.28Å; R45-L108 WeakPolarHBondContact O-CB 3.44Å; R45-L108 WeakPolarHBondContact O-CG 3.5Å; R45-L108 PolarHBondContact O-N 3.43Å
46T89.5Confident78Confident68 Ų6871.1 Ų71.142%0.41740%0.404SS..EExtended strand (participates in β ladder)trans-104.7155.5-176.158.60000111.7P43 G44 S106P43-T46 HydrophobicContact CB-CG2 3.86Å; G44-T46 WeakPolarHBondContact O-CG2 3.5Å; G44-T46 PolarHBondContact O-N 2.8Å; T46-S106 CarbonylContact C-O 3.26Å; T46-S106 WeakPolarHBondContact CA-O 3.42Å
47C89.2Confident78.8Confident8 Ų871.1 Ų71.15%0.05440%0.404CS..EExtended strand (participates in β ladder)trans-113.6138.5173.2-176.80000110.3A49 A52 P105 S106 L108 V111C47-A49 PolarHBondContact O-N 2.92Å; C47-A52 HydrophobicContact CB-CB 4.09Å; C47-A52 PolarHBondContact SG-N 3.18Å; C47-P105 CarbonylContact O-C 3.58Å; C47-P105 VanDerWaalsContact O-CA 3.3Å; C47-P105 WeakPolarHBondContact O-CA 3.35Å; C47-S106 PolarHBondContact N-O 2.91Å; C47-S106 PolarHBondContact O-N 2.95Å; C47-L108 HydrophobicContact CB-CD2 3.72Å; C47-V111 HydrophobicContact CB-CG2 4.38Å
48P92.6Very high80Confident84 Ų8471.3 Ų71.355%0.54540%0.404SS..  trans-52.3137.5172.5-2634.7000111.5K50 L51 A52P48-K50 VanDerWaalsContact C-N 3.29Å; P48-K50 PolarHBondContact O-N 2.76Å; P48-K50 VanDerWaalsContact O-N 3.15Å; P48-L51 PolarHBondContact O-N 3.25Å; P48-A52 WeakPolarHBondContact O-CB 3.45Å; P48-A52 PolarHBondContact O-N 2.88Å
49A90.9Very high81.9Confident8 Ų867.5 Ų67.57%0.06638%0.381CS..Hα-helixtrans-52.4-44.7-170.800000113.4C47 L51 A52 W53 T101 G103 R104C47-A49 PolarHBondContact O-N 2.92Å; A49-L51 PolarHBondContact O-N 2.91Å; A49-A52 PolarHBondContact O-N 3.27Å; A49-W53 WeakPolarHBondContact O-CB 3.18Å; A49-W53 PolarHBondContact O-N 3.34Å; A49-T101 HydrophobicContact CB-CG2 4.18Å; A49-G103 WeakPolarHBondContact CB-O 3.37Å; A49-R104 WeakPolarHBondContact CB-O 3.32Å
50K94.3Very high84.2Confident114 Ų11462.2 Ų62.250%0.49634%0.344SS..Hα-helixtrans-59-47179.5-62.3-170.7177.8-157.80112.6P48 F54 S98 L99 T101P48-K50 VanDerWaalsContact C-N 3.29Å; P48-K50 PolarHBondContact O-N 2.76Å; P48-K50 VanDerWaalsContact O-N 3.15Å; K50-F54 VanDerWaalsContact O-CB 3.32Å; K50-F54 WeakPolarHBondContact O-CB 3.46Å; K50-F54 PolarHBondContact O-N 3.18Å; K50-S98 WeakPolarHBondContact CA-O 3.4Å; K50-S98 WeakPolarHBondContact CB-O 3.39Å; K50-L99 WeakPolarHBondContact CD-O 3.29Å; K50-L99 VanDerWaalsContact CE-O 3.24Å; K50-L99 WeakPolarHBondContact CE-O 3.43Å; K50-L99 PolarHBondContact NZ-O 3.39Å; K50-T101 WeakPolarHBondContact CE-O 3.47Å; K50-T101 HydrophobicContact CG-CG2 4.05Å
51L95.8Very high86.7Confident85 Ų8556.3 Ų56.345%0.44531%0.311SS..Hα-helixtrans-69.4-40.8179.3-178.462.1000111.2P48 A49 F54 L55P48-L51 PolarHBondContact O-N 3.25Å; A49-L51 PolarHBondContact O-N 2.91Å; L51-F54 PolarHBondContact O-N 2.97Å; L51-L55 HydrophobicContact CD1-CD1 3.84Å; L51-L55 HydrophobicContact CD1-CD2 4.39Å; L51-L55 HydrophobicContact CD1-CG 3.85Å; L51-L55 HydrophobicContact CD2-CD1 4.45Å; L51-L55 HydrophobicContact CG-CD1 3.79Å; L51-L55 HydrophobicContact CG-CG 4.22Å; L51-L55 WeakPolarHBondContact O-CB 3.13Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.2Å
52A94.6Very high89.1Confident0 Ų058 Ų580%031%0.31CS..Hα-helixtrans-58.1-51.4176.700000111.9C47 P48 A49 L55 Q56 V111C47-A52 HydrophobicContact CB-CB 4.09Å; C47-A52 PolarHBondContact SG-N 3.18Å; P48-A52 WeakPolarHBondContact O-CB 3.45Å; P48-A52 PolarHBondContact O-N 2.88Å; A49-A52 PolarHBondContact O-N 3.27Å; A52-L55 PolarHBondContact O-N 3.05Å; A52-Q56 WeakPolarHBondContact O-CB 3.29Å; A52-Q56 WeakPolarHBondContact O-CG 3.31Å; A52-Q56 PolarHBondContact O-N 2.92Å; A52-V111 HydrophobicContact CB-CG2 3.6Å
53W95.2Very high91.5Very high33 Ų3353.2 Ų53.213%0.12528%0.281CS..Hα-helixtrans-65.4-40.9178.2-81.993.8000111.9Y33 A49 E57 Y97 S98 T101Y33-W53 HydrophobicContact CE2-CZ2 4.24Å; A49-W53 WeakPolarHBondContact O-CB 3.18Å; A49-W53 PolarHBondContact O-N 3.34Å; W53-E57 HydrophobicContact CE3-CG 4.07Å; W53-E57 WeakPolarHBondContact O-CB 3.44Å; W53-E57 WeakPolarHBondContact O-CG 3.49Å; W53-E57 PolarHBondContact O-N 3.37Å; W53-Y97 HydrophobicContact CD2-CD1 4.42Å; W53-Y97 AromaticContact CD2-CE1 3.73Å; W53-Y97 HydrophobicContact CD2-CE1 3.73Å; W53-Y97 AromaticContact CE2-CE1 3.97Å; W53-Y97 HydrophobicContact CE3-CD1 4.11Å; W53-Y97 AromaticContact CE3-CE1 3.65Å; W53-Y97 HydrophobicContact CE3-CE1 3.65Å; W53-Y97 HydrophobicContact CG-CE1 4.36Å; W53-Y97 HydrophobicContact CH2-CE1 4.05Å; W53-Y97 HydrophobicContact CZ2-CE1 4.13Å; W53-Y97 HydrophobicContact CZ3-CD1 4.44Å; W53-Y97 AromaticContact CZ3-CE1 3.82Å; W53-Y97 HydrophobicContact CZ3-CE1 3.82Å; W53-S98 VanDerWaalsContact C-OG 3.27Å; W53-S98 WeakPolarHBondContact CB-OG 3.38Å; W53-S98 PolarHBondContact O-OG 3.34Å; W53-T101 HydrophobicContact CG-CG2 4.4Å
54F97.9Very high93.6Very high56 Ų5649 Ų4925%0.24625%0.254CS..Hα-helixtrans-61.6-49.6176.5-177.9-94.9000111.8K50 L51 L58 T94 F95 S98K50-F54 VanDerWaalsContact O-CB 3.32Å; K50-F54 WeakPolarHBondContact O-CB 3.46Å; K50-F54 PolarHBondContact O-N 3.18Å; L51-F54 PolarHBondContact O-N 2.97Å; F54-L58 HydrophobicContact CE1-CD2 3.96Å; F54-L58 HydrophobicContact CZ-CD1 4.44Å; F54-L58 HydrophobicContact CZ-CD2 4.25Å; F54-L58 WeakPolarHBondContact O-CB 3.33Å; F54-L58 PolarHBondContact O-N 2.88Å; F54-L58 VanDerWaalsContact O-N 3.09Å; F54-T94 HydrophobicContact CD2-CG2 3.82Å; F54-T94 HydrophobicContact CE2-CG2 3.84Å; F54-F95 AromaticContact CE2-CD1 3.88Å; F54-F95 HydrophobicContact CE2-CD1 3.88Å; F54-F95 AromaticContact CE2-CE1 3.83Å; F54-F95 HydrophobicContact CE2-CE1 3.83Å; F54-F95 HydrophobicContact CZ-CE1 4.2Å; F54-S98 PolarHBondContact N-OG 3.37Å
55L97.1Very high95Very high69 Ų6948.2 Ų48.236%0.36124%0.238SC..Hα-helixtrans-66.9-38.9-177.4-70.6175.6000113L51 A52 P59 V111L51-L55 HydrophobicContact CD1-CD1 3.84Å; L51-L55 HydrophobicContact CD1-CD2 4.39Å; L51-L55 HydrophobicContact CD1-CG 3.85Å; L51-L55 HydrophobicContact CD2-CD1 4.45Å; L51-L55 HydrophobicContact CG-CD1 3.79Å; L51-L55 HydrophobicContact CG-CG 4.22Å; L51-L55 WeakPolarHBondContact O-CB 3.13Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.2Å; A52-L55 PolarHBondContact O-N 3.05Å; L55-P59 WeakPolarHBondContact O-CD 3.26Å; L55-V111 HydrophobicContact CB-CG1 4.45Å
56Q96.4Very high95.5Very high16 Ų1642.5 Ų42.58%0.07522%0.222CC..Hα-helixtrans-73.7-33-176.279.2-174.624.900112.3A52 V111 A114 C118A52-Q56 WeakPolarHBondContact O-CB 3.29Å; A52-Q56 WeakPolarHBondContact O-CG 3.31Å; A52-Q56 PolarHBondContact O-N 2.92Å; Q56-V111 HydrophobicContact CB-CG1 4.39Å; Q56-A114 HydrophobicContact CB-CB 3.69Å; Q56-A114 HydrophobicContact CG-CB 4.2Å; Q56-C118 WeakPolarHBondContact O-CB 3.38Å; Q56-C118 PolarHBondContact O-SG 3.01Å
57E97.2Very high95.7Very high22 Ų2240.2 Ų40.210%0.10321%0.207CC..Hα-helixtrans-92.1-27.6-174.3-56.5-64156.800112.8W53 P59 S60 Y90 R93 T94W53-E57 HydrophobicContact CE3-CG 4.07Å; W53-E57 WeakPolarHBondContact O-CB 3.44Å; W53-E57 WeakPolarHBondContact O-CG 3.49Å; W53-E57 PolarHBondContact O-N 3.37Å; E57-P59 VanDerWaalsContact C-N 3.34Å; E57-S60 PolarHBondContact O-N 3.43Å; E57-S60 VanDerWaalsContact O-N 3.08Å; E57-Y90 WeakPolarHBondContact OE2-CE1 3.5Å; E57-R93 HydrophobicContact CB-CG 4.21Å; E57-R93 HydrophobicContact CG-CG 3.76Å; E57-T94 WeakPolarHBondContact CB-OG1 3.43Å
58L98.1Very high95.8Very high41 Ų4141.7 Ų41.722%0.21522%0.215CC..Hα-helixtrans-50.3-42.2-177.6177.466000114.4F54 S60 F61 L62 T94 F95F54-L58 HydrophobicContact CE1-CD2 3.96Å; F54-L58 HydrophobicContact CZ-CD1 4.44Å; F54-L58 HydrophobicContact CZ-CD2 4.25Å; F54-L58 WeakPolarHBondContact O-CB 3.33Å; F54-L58 PolarHBondContact O-N 2.88Å; F54-L58 VanDerWaalsContact O-N 3.09Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 3.04Å; L58-F61 PolarHBondContact O-N 3.32Å; L58-L62 HydrophobicContact CD1-CB 4.29Å; L58-L62 HydrophobicContact CG-CB 4.35Å; L58-L62 WeakPolarHBondContact O-CB 3.23Å; L58-L62 PolarHBondContact O-N 3.2Å; L58-T94 HydrophobicContact CB-CG2 3.92Å; L58-T94 HydrophobicContact CD1-CG2 3.98Å; L58-F95 HydrophobicContact CD1-CE1 4.45Å; L58-F95 HydrophobicContact CD1-CZ 3.89Å
59P98.3Very high95.8Very high17 Ų1744.3 Ų44.311%0.1122%0.224CC..Hα-helixtrans-60.2-34.7-179.3-24.534.5000113.8L55 E57 F61 L62 V63 L115 C118 S119L55-P59 WeakPolarHBondContact O-CD 3.26Å; E57-P59 VanDerWaalsContact C-N 3.34Å; P59-F61 PolarHBondContact O-N 2.96Å; P59-L62 PolarHBondContact O-N 2.78Å; P59-V63 HydrophobicContact CB-CG2 4.43Å; P59-V63 VanDerWaalsContact O-CB 3.26Å; P59-V63 WeakPolarHBondContact O-CB 3.4Å; P59-V63 VanDerWaalsContact O-CG2 3.3Å; P59-V63 WeakPolarHBondContact O-CG2 3.08Å; P59-V63 PolarHBondContact O-N 3.41Å; P59-L115 HydrophobicContact CG-CG 4.13Å; P59-C118 HydrophobicContact CB-CB 4.24Å; P59-C118 HydrophobicContact CG-CB 4.46Å; P59-S119 VanDerWaalsContact CB-OG 3.29Å; P59-S119 WeakPolarHBondContact CB-OG 3.42Å
60S97.6Very high95.7Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-69.1-20178-70.50000112.8E57 L58 P64 F86 Y90 C118E57-S60 PolarHBondContact O-N 3.43Å; E57-S60 VanDerWaalsContact O-N 3.08Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 3.04Å; S60-P64 WeakPolarHBondContact O-CD 3.27Å; S60-P64 VanDerWaalsContact O-CG 3.28Å; S60-P64 WeakPolarHBondContact O-CG 3.23Å; S60-F86 VanDerWaalsContact O-CE1 3.26Å; S60-F86 WeakPolarHBondContact O-CE1 3.32Å; S60-Y90 WeakPolarHBondContact OG-CE1 3.16Å; S60-C118 VanDerWaalsContact OG-CA 3.24Å; S60-C118 WeakPolarHBondContact OG-CA 3.24Å; S60-C118 WeakPolarHBondContact OG-CB 3.21Å; S60-C118 PolarHBondContact OG-O 2.81Å; S60-C118 VanDerWaalsContact OG-O 3.07Å; S60-C118 PolarHBondContact OG-SG 2.89Å
61F98Very high95.3Very high35 Ų3542.9 Ų42.915%0.15423%0.227CC..Hα-helixtrans-89.3-49.7167.9177.9-98.6000111.5L58 P59 P64 M65 C87 F91 F95L58-F61 PolarHBondContact O-N 3.32Å; P59-F61 PolarHBondContact O-N 2.96Å; F61-P64 WeakPolarHBondContact O-CD 3.49Å; F61-M65 HydrophobicContact CD1-CG 4.34Å; F61-M65 HydrophobicContact CD2-CG 4.47Å; F61-M65 HydrophobicContact CE1-CG 4Å; F61-M65 HydrophobicContact CE2-CG 4.14Å; F61-M65 HydrophobicContact CZ-CG 3.9Å; F61-M65 VanDerWaalsContact O-CG 3.22Å; F61-M65 WeakPolarHBondContact O-CG 3.43Å; F61-M65 PolarHBondContact O-N 3.17Å; F61-C87 HydrophobicContact CD2-CB 4.29Å; F61-C87 WeakPolarHBondContact CD2-O 3.44Å; F61-C87 HydrophobicContact CE2-CB 4.24Å; F61-F91 HydrophobicContact CD2-CB 4.08Å; F61-F91 HydrophobicContact CE2-CB 3.89Å; F61-F91 HydrophobicContact CE2-CD2 4.05Å; F61-F91 HydrophobicContact CE2-CG 4.47Å; F61-F91 HydrophobicContact CZ-CD2 4.12Å; F61-F95 AromaticContact CD1-CE2 3.55Å; F61-F95 HydrophobicContact CD1-CE2 3.55Å; F61-F95 AromaticContact CD1-CZ 3.93Å; F61-F95 HydrophobicContact CD1-CZ 3.93Å; F61-F95 HydrophobicContact CD2-CE2 4.44Å; F61-F95 AromaticContact CE1-CE2 3.7Å; F61-F95 HydrophobicContact CE1-CE2 3.7Å; F61-F95 HydrophobicContact CE1-CZ 4.06Å; F61-F95 AromaticContact CG-CE2 3.95Å; F61-F95 HydrophobicContact CG-CE2 3.95Å; F61-F95 HydrophobicContact CZ-CE2 4.22Å
62L97.8Very high94.5Very high74 Ų7447.3 Ų47.339%0.38725%0.251SS..Hα-helixtrans-70-40.3-168.8-175.662000112.5L58 P59 M65 L66L58-L62 HydrophobicContact CD1-CB 4.29Å; L58-L62 HydrophobicContact CG-CB 4.35Å; L58-L62 WeakPolarHBondContact O-CB 3.23Å; L58-L62 PolarHBondContact O-N 3.2Å; P59-L62 PolarHBondContact O-N 2.78Å; L62-M65 PolarHBondContact O-N 3.49Å; L62-L66 HydrophobicContact CD1-CD1 4.14Å; L62-L66 HydrophobicContact CD1-CD2 4.47Å; L62-L66 HydrophobicContact CD1-CG 4.04Å; L62-L66 HydrophobicContact CD2-CD1 4.42Å; L62-L66 HydrophobicContact CG-CD1 3.84Å; L62-L66 HydrophobicContact CG-CG 4.18Å; L62-L66 WeakPolarHBondContact O-CB 3.26Å; L62-L66 VanDerWaalsContact O-CG 3.27Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.48Å
63V97.6Very high93.5Very high37 Ų3749.8 Ų49.822%0.22427%0.266CS..Hα-helixtrans-64.3-51.5-177.7174.70000111.7P59 M65 L66 L67 F123P59-V63 HydrophobicContact CB-CG2 4.43Å; P59-V63 VanDerWaalsContact O-CB 3.26Å; P59-V63 WeakPolarHBondContact O-CB 3.4Å; P59-V63 VanDerWaalsContact O-CG2 3.3Å; P59-V63 WeakPolarHBondContact O-CG2 3.08Å; P59-V63 PolarHBondContact O-N 3.41Å; V63-M65 VanDerWaalsContact C-N 3.28Å; V63-M65 PolarHBondContact O-N 3.37Å; V63-L66 PolarHBondContact O-N 2.91Å; V63-L67 HydrophobicContact CG1-CD1 4.12Å; V63-L67 HydrophobicContact CG1-CG 4.47Å; V63-L67 WeakPolarHBondContact O-CG 3.18Å; V63-L67 PolarHBondContact O-N 2.98Å; V63-F123 HydrophobicContact CG1-CB 3.98Å
64P96.1Very high92.5Very high1 Ų156.4 Ų56.41%0.00630%0.299CS..Hα-helixtrans-57.2-40174-22.329.4000113.4S60 F61 L67 L68 L83 F86 G122S60-P64 WeakPolarHBondContact O-CD 3.27Å; S60-P64 VanDerWaalsContact O-CG 3.28Å; S60-P64 WeakPolarHBondContact O-CG 3.23Å; F61-P64 WeakPolarHBondContact O-CD 3.49Å; P64-L67 PolarHBondContact O-N 3.19Å; P64-L68 WeakPolarHBondContact O-CB 3.34Å; P64-L68 PolarHBondContact O-N 3.41Å; P64-L83 HydrophobicContact CB-CD1 4.05Å; P64-F86 HydrophobicContact CG-CD1 4.17Å; P64-F86 HydrophobicContact CG-CE1 3.86Å; P64-G122 WeakPolarHBondContact CG-O 3.41Å
65M95.6Very high91.3Very high30 Ų3058.9 Ų58.915%0.14832%0.32CS..Hα-helixtrans-65.4-42.5178.6-71.5-55.7-5500112.4F61 L62 V63 L67 L68 L69 W84 C87F61-M65 HydrophobicContact CD1-CG 4.34Å; F61-M65 HydrophobicContact CD2-CG 4.47Å; F61-M65 HydrophobicContact CE1-CG 4Å; F61-M65 HydrophobicContact CE2-CG 4.14Å; F61-M65 HydrophobicContact CZ-CG 3.9Å; F61-M65 VanDerWaalsContact O-CG 3.22Å; F61-M65 WeakPolarHBondContact O-CG 3.43Å; F61-M65 PolarHBondContact O-N 3.17Å; L62-M65 PolarHBondContact O-N 3.49Å; V63-M65 VanDerWaalsContact C-N 3.28Å; V63-M65 PolarHBondContact O-N 3.37Å; M65-L67 VanDerWaalsContact C-N 3.34Å; M65-L68 HydrophobicContact CE-CD2 4.35Å; M65-L68 PolarHBondContact O-N 3.33Å; M65-L69 VanDerWaalsContact O-CG 3.28Å; M65-L69 WeakPolarHBondContact O-CG 3.36Å; M65-L69 PolarHBondContact O-N 2.83Å; M65-W84 HydrophobicContact CE-CH2 3.62Å; M65-W84 HydrophobicContact CE-CZ2 4.35Å; M65-W84 HydrophobicContact CE-CZ3 4.17Å; M65-W84 HydrophobicContact SD-CH2 3.89Å; M65-W84 HydrophobicContact SD-CZ3 3.9Å; M65-C87 HydrophobicContact SD-CB 4.48Å
66L95.3Very high90.6Very high94 Ų9457.5 Ų57.549%0.49232%0.316SS..Hα-helixtrans-65.8-38175.3-71174.8000111.6L62 V63 L69 S70L62-L66 HydrophobicContact CD1-CD1 4.14Å; L62-L66 HydrophobicContact CD1-CD2 4.47Å; L62-L66 HydrophobicContact CD1-CG 4.04Å; L62-L66 HydrophobicContact CD2-CD1 4.42Å; L62-L66 HydrophobicContact CG-CD1 3.84Å; L62-L66 HydrophobicContact CG-CG 4.18Å; L62-L66 WeakPolarHBondContact O-CB 3.26Å; L62-L66 VanDerWaalsContact O-CG 3.27Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.48Å; V63-L66 PolarHBondContact O-N 2.91Å; L66-L69 PolarHBondContact O-N 3.22Å; L66-S70 VanDerWaalsContact O-CB 3.3Å; L66-S70 WeakPolarHBondContact O-CB 3.39Å; L66-S70 PolarHBondContact O-N 3.44Å; L66-S70 PolarHBondContact O-OG 2.83Å
67L93.6Very high90Very high20 Ų2062.5 Ų62.511%0.10534%0.343CS..Hα-helixtrans-63.7-43.3174.6-71.1173.4000111.5M1 V63 P64 M65 L69 S70 T71 F123 H127 L130M1-L67 HydrophobicContact CE-CD2 4.28Å; V63-L67 HydrophobicContact CG1-CD1 4.12Å; V63-L67 HydrophobicContact CG1-CG 4.47Å; V63-L67 WeakPolarHBondContact O-CG 3.18Å; V63-L67 PolarHBondContact O-N 2.98Å; P64-L67 PolarHBondContact O-N 3.19Å; M65-L67 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 2.87Å; L67-S70 PolarHBondContact O-N 3Å; L67-S70 PolarHBondContact O-OG 3.04Å; L67-T71 WeakPolarHBondContact O-CB 3.2Å; L67-T71 PolarHBondContact O-N 3.39Å; L67-T71 PolarHBondContact O-OG1 2.89Å; L67-F123 HydrophobicContact CD1-CD2 4.19Å; L67-H127 HydrophobicContact CD1-CB 4.32Å; L67-L130 HydrophobicContact CB-CD1 3.57Å
68L92.3Very high89.4Confident40 Ų4061.7 Ų61.721%0.20934%0.34CS..Hα-helixtrans-60.4-44.6176.1177.965.3000111.4P64 M65 S70 L83 W84 L130P64-L68 WeakPolarHBondContact O-CB 3.34Å; P64-L68 PolarHBondContact O-N 3.41Å; M65-L68 HydrophobicContact CE-CD2 4.35Å; M65-L68 PolarHBondContact O-N 3.33Å; L68-S70 VanDerWaalsContact C-N 3.34Å; L68-S70 PolarHBondContact O-N 3.1Å; L68-L83 HydrophobicContact CB-CD2 4.34Å; L68-L83 HydrophobicContact CD1-CD2 4.06Å; L68-L83 HydrophobicContact CD2-CD2 4.29Å; L68-L83 HydrophobicContact CG-CD2 4.46Å; L68-W84 HydrophobicContact CD2-CZ2 4.07Å; L68-L130 HydrophobicContact CB-CD1 4.37Å; L68-L130 HydrophobicContact CD1-CD2 3.78Å
69L91.6Very high89Confident139 Ų13962.1 Ų62.173%0.72834%0.34SS*.Hα-helixtrans-73.7-21.9-179.1-67.6173.6000114.2M65 L66 L67M65-L69 VanDerWaalsContact O-CG 3.28Å; M65-L69 WeakPolarHBondContact O-CG 3.36Å; M65-L69 PolarHBondContact O-N 2.83Å; L66-L69 PolarHBondContact O-N 3.22Å; L67-L69 PolarHBondContact O-N 2.87Å
70S89.4Confident88.6Confident78 Ų7863.2 Ų63.255%0.54535%0.345SS..THydrogen-bonded Turntrans-99.82.7-17858.20000113.7L66 L67 L68L66-S70 VanDerWaalsContact O-CB 3.3Å; L66-S70 WeakPolarHBondContact O-CB 3.39Å; L66-S70 PolarHBondContact O-N 3.44Å; L66-S70 PolarHBondContact O-OG 2.83Å; L67-S70 PolarHBondContact O-N 3Å; L67-S70 PolarHBondContact O-OG 3.04Å; L68-S70 VanDerWaalsContact C-N 3.34Å; L68-S70 PolarHBondContact O-N 3.1Å
71T86.3Confident88.4Confident13 Ų1366.8 Ų66.88%0.0836%0.364CS..  trans-117.8122.8-173.9-66.30000111.1L67 T73 H131L67-T71 WeakPolarHBondContact O-CB 3.2Å; L67-T71 PolarHBondContact O-N 3.39Å; L67-T71 PolarHBondContact O-OG1 2.89Å; T71-T73 VanDerWaalsContact C-N 3.33Å; T71-T73 HydrophobicContact CG2-CG2 3.26Å; T71-T73 PolarHBondContact O-N 2.91Å; T71-T73 VanDerWaalsContact O-N 3.12Å; T71-H131 WeakPolarHBondContact CG2-CE1 3.48Å; T71-H131 PolarHBondContact OG1-CE1 2.99Å
72D78.9Confident88.3Confident178 Ų17865.1 Ų65.195%0.95236%0.357SS*.  trans-80.381.6163.4-76.8-33.7000109.7
73T72.6Confident88.2Confident53 Ų5361.7 Ų61.733%0.32534%0.339SS..  trans-104142169.438.20000110.1T71 L130T71-T73 VanDerWaalsContact C-N 3.33Å; T71-T73 HydrophobicContact CG2-CG2 3.26Å; T71-T73 PolarHBondContact O-N 2.91Å; T71-T73 VanDerWaalsContact O-N 3.12Å; T73-L130 WeakPolarHBondContact CG2-O 3.48Å
74Q75.3Confident88.1Confident172 Ų17266.2 Ų66.280%0.80435%0.352SS*.  trans-62.6130.5170.4-71.5-66.7-1400109.4S76Q74-S76 PolarHBondContact O-N 3.28Å
75P73.6Confident88.2Confident107 Ų10766.4 Ų66.470%0.69535%0.353SS*.  trans-55.5134.2178.4-23.232000110.7
76S82.4Confident88.3Confident40 Ų4065 Ų6528%0.2835%0.346SS..  trans-137.5107.4177.7178.70000107.9Q74 G78 K79 D80Q74-S76 PolarHBondContact O-N 3.28Å; S76-G78 PolarHBondContact O-N 2.96Å; S76-K79 PolarHBondContact O-N 3.44Å; S76-D80 PolarHBondContact N-OD2 3.48Å; S76-D80 WeakPolarHBondContact O-CB 3.33Å; S76-D80 VanDerWaalsContact O-CG 3.27Å; S76-D80 PolarHBondContact O-N 2.86Å
77L82.9Confident88.5Confident121 Ų12160.6 Ų60.663%0.63432%0.323SS*.Hα-helixtrans-49.4-41.3-172.6-175.766.7000112.9L81L77-L81 WeakPolarHBondContact O-CB 3.46Å; L77-L81 PolarHBondContact O-N 3.47Å
78G84.9Confident88.7Confident5 Ų563.5 Ų63.55%0.05234%0.338CS..Hα-helixtrans-67.6-46.8178.600000113.5S76 L82S76-G78 PolarHBondContact O-N 2.96Å; G78-L82 WeakPolarHBondContact O-CD1 3.37Å; G78-L82 VanDerWaalsContact O-CG 3.3Å; G78-L82 WeakPolarHBondContact O-CG 3.47Å; G78-L82 PolarHBondContact O-N 2.91Å; G78-L82 VanDerWaalsContact O-N 3.14Å
79K89.8Confident89Confident50 Ų5061.7 Ų61.722%0.21733%0.329CS..Hα-helixtrans-67.1-43.4179.5-58.9-178.4-163.7-173.30111S76 L82 L83 M129 A133 Y135S76-K79 PolarHBondContact O-N 3.44Å; K79-L82 PolarHBondContact O-N 3.24Å; K79-L83 WeakPolarHBondContact O-CB 3.28Å; K79-L83 PolarHBondContact O-N 3Å; K79-M129 HydrophobicContact CB-CG 4.28Å; K79-M129 HydrophobicContact CB-SD 4.07Å; K79-M129 HydrophobicContact CG-SD 4.4Å; K79-M129 WeakPolarHBondContact O-CG 3.43Å; K79-A133 WeakPolarHBondContact CE-O 3.44Å; K79-A133 PolarHBondContact NZ-O 3.39Å; K79-Y135 HydrophobicContact CG-CD2 3.65Å; K79-Y135 HydrophobicContact CG-CE2 3.87Å
80D90.1Very high89.3Confident40 Ų4055.5 Ų55.521%0.21430%0.296CS..Hα-helixtrans-63.5-44.4179.4-64.5-28.8000110.4S76 L82 L83 W84S76-D80 PolarHBondContact N-OD2 3.48Å; S76-D80 WeakPolarHBondContact O-CB 3.33Å; S76-D80 VanDerWaalsContact O-CG 3.27Å; S76-D80 PolarHBondContact O-N 2.86Å; D80-L82 VanDerWaalsContact C-N 3.35Å; D80-L82 PolarHBondContact O-N 2.93Å; D80-L83 PolarHBondContact O-N 3.49Å; D80-W84 WeakPolarHBondContact O-CB 3.24Å; D80-W84 PolarHBondContact O-N 3.43Å
81L93.1Very high89.8Confident75 Ų7556.2 Ų56.239%0.39329%0.289SS..Hα-helixtrans-56.1-48.2174.6175.864.6000111.8L77 W84 T85 L149L77-L81 WeakPolarHBondContact O-CB 3.46Å; L77-L81 PolarHBondContact O-N 3.47Å; L81-W84 PolarHBondContact O-N 3.28Å; L81-T85 WeakPolarHBondContact O-CB 3.35Å; L81-T85 PolarHBondContact O-N 3.46Å; L81-T85 PolarHBondContact O-OG1 3.37Å; L81-L149 HydrophobicContact CD2-CD1 3.79Å; L81-L149 HydrophobicContact CG-CD1 4.49Å
82L95.4Very high90.3Very high0 Ų056.5 Ų56.50%029%0.29CS..Hα-helixtrans-68.9-41.1-178.3-67.9163.9000111.7G78 K79 D80 T85 F86 M129 Y135 L145 L149 Y203 A206 T207G78-L82 WeakPolarHBondContact O-CD1 3.37Å; G78-L82 VanDerWaalsContact O-CG 3.3Å; G78-L82 WeakPolarHBondContact O-CG 3.47Å; G78-L82 PolarHBondContact O-N 2.91Å; G78-L82 VanDerWaalsContact O-N 3.14Å; K79-L82 PolarHBondContact O-N 3.24Å; D80-L82 VanDerWaalsContact C-N 3.35Å; D80-L82 PolarHBondContact O-N 2.93Å; L82-T85 WeakPolarHBondContact O-CB 3.49Å; L82-T85 PolarHBondContact O-N 3.43Å; L82-F86 PolarHBondContact O-N 2.89Å; L82-F86 VanDerWaalsContact O-N 3.08Å; L82-M129 HydrophobicContact CB-CE 3.64Å; L82-M129 HydrophobicContact CB-SD 3.91Å; L82-M129 HydrophobicContact CD1-CE 4.2Å; L82-M129 HydrophobicContact CD1-SD 4.29Å; L82-Y135 HydrophobicContact CD1-CE2 3.74Å; L82-L145 HydrophobicContact CD1-CD1 4.39Å; L82-L145 HydrophobicContact CD2-CD1 3.89Å; L82-L145 HydrophobicContact CG-CD1 4.34Å; L82-L149 HydrophobicContact CD2-CD2 4.32Å; L82-Y203 HydrophobicContact CB-CE2 4.32Å; L82-Y203 HydrophobicContact CD2-CE2 4.35Å; L82-Y203 WeakPolarHBondContact O-CE2 3.04Å; L82-Y203 PolarHBondContact O-OH 3.14Å; L82-A206 HydrophobicContact CD2-CB 3.8Å; L82-T207 HydrophobicContact CB-CG2 4.24Å; L82-T207 HydrophobicContact CD1-CG2 4Å; L82-T207 HydrophobicContact CD2-CG2 3.81Å; L82-T207 HydrophobicContact CG-CG2 4.22Å
83L95.7Very high91.2Very high3 Ų348.3 Ų48.32%0.01625%0.245CC..Hα-helixtrans-60.6-47.3173.9-176.662.9000111.5P64 L68 K79 D80 T85 F86 C87 M129 L130P64-L83 HydrophobicContact CB-CD1 4.05Å; L68-L83 HydrophobicContact CB-CD2 4.34Å; L68-L83 HydrophobicContact CD1-CD2 4.06Å; L68-L83 HydrophobicContact CD2-CD2 4.29Å; L68-L83 HydrophobicContact CG-CD2 4.46Å; K79-L83 WeakPolarHBondContact O-CB 3.28Å; K79-L83 PolarHBondContact O-N 3Å; D80-L83 PolarHBondContact O-N 3.49Å; L83-T85 VanDerWaalsContact C-N 3.28Å; L83-T85 PolarHBondContact O-N 3.35Å; L83-F86 WeakPolarHBondContact O-CB 3.31Å; L83-F86 PolarHBondContact O-N 2.88Å; L83-C87 PolarHBondContact O-N 3.26Å; L83-C87 PolarHBondContact O-SG 2.85Å; L83-M129 HydrophobicContact CB-CG 3.89Å; L83-M129 HydrophobicContact CD1-CB 4.35Å; L83-L130 HydrophobicContact CD2-CD1 4.46Å; L83-L130 HydrophobicContact CD2-CD2 3.75Å; L83-L130 HydrophobicContact CD2-CG 4.06Å
84W96.3Very high92.4Very high132 Ų13245.8 Ų45.850%0.523%0.23SC..Hα-helixtrans-65.8-32.2177.3-80.8114.6000112.6M65 L68 D80 L81 C87 L88M65-W84 HydrophobicContact CE-CH2 3.62Å; M65-W84 HydrophobicContact CE-CZ2 4.35Å; M65-W84 HydrophobicContact CE-CZ3 4.17Å; M65-W84 HydrophobicContact SD-CH2 3.89Å; M65-W84 HydrophobicContact SD-CZ3 3.9Å; L68-W84 HydrophobicContact CD2-CZ2 4.07Å; D80-W84 WeakPolarHBondContact O-CB 3.24Å; D80-W84 PolarHBondContact O-N 3.43Å; L81-W84 PolarHBondContact O-N 3.28Å; W84-C87 HydrophobicContact CE3-CB 4.14Å; W84-C87 PolarHBondContact O-N 2.97Å; W84-L88 VanDerWaalsContact O-CB 3.23Å; W84-L88 WeakPolarHBondContact O-CB 3.16Å; W84-L88 PolarHBondContact O-N 3.44Å
85T97.7Very high93.5Very high5 Ų540.5 Ų40.53%0.03121%0.205CC..Hα-helixtrans-61.6-44.7173.2-60.70000110.8L81 L82 L83 L88 H89 L149 F152 Y203L81-T85 WeakPolarHBondContact O-CB 3.35Å; L81-T85 PolarHBondContact O-N 3.46Å; L81-T85 PolarHBondContact O-OG1 3.37Å; L82-T85 WeakPolarHBondContact O-CB 3.49Å; L82-T85 PolarHBondContact O-N 3.43Å; L83-T85 VanDerWaalsContact C-N 3.28Å; L83-T85 PolarHBondContact O-N 3.35Å; T85-L88 PolarHBondContact O-N 3.45Å; T85-H89 PolarHBondContact O-N 3.12Å; T85-L149 HydrophobicContact CG2-CD2 4.2Å; T85-F152 HydrophobicContact CG2-CD1 3.38Å; T85-F152 HydrophobicContact CG2-CD2 4.01Å; T85-F152 HydrophobicContact CG2-CE1 3.25Å; T85-F152 HydrophobicContact CG2-CE2 3.87Å; T85-F152 HydrophobicContact CG2-CG 3.77Å; T85-F152 HydrophobicContact CG2-CZ 3.49Å; T85-F152 VanDerWaalsContact CG2-CZ 3.49Å; T85-F152 WeakPolarHBondContact O-CZ 3.49Å; T85-Y203 HydrophobicContact CG2-CD2 4.38Å
86F98.3Very high94.6Very high1 Ų139 Ų390%0.00419%0.19CC..Hα-helixtrans-62.7-47.2173.3-176.7-93.3000112.3S60 P64 L82 L83 L88 H89 Y90 Q125 W200 Y203 F215S60-F86 VanDerWaalsContact O-CE1 3.26Å; S60-F86 WeakPolarHBondContact O-CE1 3.32Å; P64-F86 HydrophobicContact CG-CD1 4.17Å; P64-F86 HydrophobicContact CG-CE1 3.86Å; L82-F86 PolarHBondContact O-N 2.89Å; L82-F86 VanDerWaalsContact O-N 3.08Å; L83-F86 WeakPolarHBondContact O-CB 3.31Å; L83-F86 PolarHBondContact O-N 2.88Å; F86-L88 VanDerWaalsContact C-N 3.29Å; F86-L88 PolarHBondContact O-N 3.46Å; F86-H89 PolarHBondContact O-N 3.3Å; F86-Y90 HydrophobicContact CD1-CD2 4.01Å; F86-Y90 HydrophobicContact CD1-CE2 4.42Å; F86-Y90 HydrophobicContact CD2-CD2 4.42Å; F86-Y90 HydrophobicContact CD2-CE2 4.23Å; F86-Y90 AromaticContact CE1-CD2 3.6Å; F86-Y90 HydrophobicContact CE1-CD2 3.6Å; F86-Y90 AromaticContact CE1-CE2 3.74Å; F86-Y90 HydrophobicContact CE1-CE2 3.74Å; F86-Y90 HydrophobicContact CE2-CD2 4.03Å; F86-Y90 AromaticContact CE2-CE2 3.49Å; F86-Y90 HydrophobicContact CE2-CE2 3.49Å; F86-Y90 VanDerWaalsContact CE2-CE2 3.49Å; F86-Y90 HydrophobicContact CG-CD2 4.41Å; F86-Y90 AromaticContact CZ-CD2 3.62Å; F86-Y90 HydrophobicContact CZ-CD2 3.62Å; F86-Y90 AromaticContact CZ-CE2 3.21Å; F86-Y90 HydrophobicContact CZ-CE2 3.21Å; F86-Y90 PolarHBondContact O-N 2.84Å; F86-Q125 HydrophobicContact CD2-CB 4.25Å; F86-Q125 HydrophobicContact CD2-CG 4.26Å; F86-Q125 HydrophobicContact CE1-CB 4.24Å; F86-Q125 HydrophobicContact CE2-CB 3.9Å; F86-Q125 HydrophobicContact CE2-CG 3.57Å; F86-Q125 HydrophobicContact CZ-CB 3.87Å; F86-Q125 HydrophobicContact CZ-CG 3.77Å; F86-W200 AromaticContact CD2-CH2 3.69Å; F86-W200 HydrophobicContact CD2-CH2 3.69Å; F86-W200 AromaticContact CD2-CZ3 3.58Å; F86-W200 HydrophobicContact CD2-CZ3 3.58Å; F86-W200 AromaticContact CE2-CH2 3.79Å; F86-W200 HydrophobicContact CE2-CH2 3.79Å; F86-W200 AromaticContact CE2-CZ3 3.89Å; F86-W200 HydrophobicContact CE2-CZ3 3.89Å; F86-Y203 HydrophobicContact CB-CE2 4.33Å; F86-Y203 HydrophobicContact CD2-CE1 4.01Å; F86-F215 HydrophobicContact CE2-CE1 4.21Å
87C98.1Very high95.3Very high1 Ų138.3 Ų38.31%0.00718%0.181CC..Hα-helixtrans-63.8-33.6178.3-71.50000112.6F61 M65 L83 W84 Y90 F91F61-C87 HydrophobicContact CD2-CB 4.29Å; F61-C87 WeakPolarHBondContact CD2-O 3.44Å; F61-C87 HydrophobicContact CE2-CB 4.24Å; M65-C87 HydrophobicContact SD-CB 4.48Å; L83-C87 PolarHBondContact O-N 3.26Å; L83-C87 PolarHBondContact O-SG 2.85Å; W84-C87 HydrophobicContact CE3-CB 4.14Å; W84-C87 PolarHBondContact O-N 2.97Å; C87-Y90 PolarHBondContact O-N 3.35Å; C87-F91 VanDerWaalsContact O-CB 3.24Å; C87-F91 WeakPolarHBondContact O-CB 3.49Å; C87-F91 PolarHBondContact O-N 3.09Å
88L98.5Very high95.9Very high80 Ų8032.6 Ų32.642%0.41915%0.151SC..Hα-helixtrans-62.8-45.5177.8175.864.2000111.4W84 T85 F86 F91 Q92 F153 M156W84-L88 VanDerWaalsContact O-CB 3.23Å; W84-L88 WeakPolarHBondContact O-CB 3.16Å; W84-L88 PolarHBondContact O-N 3.44Å; T85-L88 PolarHBondContact O-N 3.45Å; F86-L88 VanDerWaalsContact C-N 3.29Å; F86-L88 PolarHBondContact O-N 3.46Å; L88-F91 PolarHBondContact O-N 2.85Å; L88-Q92 PolarHBondContact O-N 3.02Å; L88-F153 HydrophobicContact CD2-CE1 3.88Å; L88-M156 HydrophobicContact CD2-SD 4.36Å; L88-M156 HydrophobicContact CG-CE 4.06Å; L88-M156 HydrophobicContact CG-SD 4.38Å
89H98.5Very high96.4Very high2 Ų237 Ų371%0.00917%0.173CC..Hα-helixtrans-56.7-54.4173.3173.495.7000110.9T85 F86 F91 Q92 R93 F152 E196 E199 W200T85-H89 PolarHBondContact O-N 3.12Å; F86-H89 PolarHBondContact O-N 3.3Å; H89-F91 VanDerWaalsContact C-N 3.27Å; H89-F91 PolarHBondContact O-N 3.45Å; H89-Q92 WeakPolarHBondContact O-CB 3.49Å; H89-Q92 PolarHBondContact O-N 2.94Å; H89-Q92 VanDerWaalsContact O-N 3.09Å; H89-R93 PolarHBondContact O-N 3.3Å; H89-F152 HydrophobicContact CB-CZ 4.06Å; H89-E196 IonicContact CE1-OE1 3.74Å; H89-E196 IonicContact NE2-OE1 2.73Å; H89-E199 IonicContact CE1-OE1 3.43Å; H89-E199 IonicContact CE1-OE2 2.66Å; H89-E199 IonicContact CG-OE1 3.68Å; H89-E199 IonicContact ND1-OE1 3.84Å; H89-E199 PolarHBondContact ND1-OE1 3.24Å; H89-E199 IonicContact ND1-OE2 3.74Å; H89-E199 PolarHBondContact ND1-OE2 3.23Å; H89-W200 HydrophobicContact CB-CH2 4.18Å; H89-W200 HydrophobicContact CB-CZ2 4.41Å; H89-W200 AromaticContact CD2-CH2 3.93Å; H89-W200 AromaticContact CD2-CZ2 3.44Å; H89-W200 VanDerWaalsContact CD2-CZ2 3.44Å; H89-W200 WeakPolarHBondContact CD2-CZ2 3.47Å; H89-W200 AromaticContact CE1-CZ2 3.82Å; H89-W200 AromaticContact CG-CH2 3.94Å; H89-W200 AromaticContact CG-CZ2 3.68Å; H89-W200 AromaticContact ND1-CZ2 3.91Å; H89-W200 AromaticContact NE2-CZ2 3.57Å
90Y98.4Very high96.5Very high9 Ų938.9 Ų38.94%0.03519%0.185CC..Hα-helixtrans-70.1-24.9-175.7-82-71.6000113.2E57 S60 F86 C87 T94 N121 W200 F215E57-Y90 WeakPolarHBondContact OE2-CE1 3.5Å; S60-Y90 WeakPolarHBondContact OG-CE1 3.16Å; F86-Y90 HydrophobicContact CD1-CD2 4.01Å; F86-Y90 HydrophobicContact CD1-CE2 4.42Å; F86-Y90 HydrophobicContact CD2-CD2 4.42Å; F86-Y90 HydrophobicContact CD2-CE2 4.23Å; F86-Y90 AromaticContact CE1-CD2 3.6Å; F86-Y90 HydrophobicContact CE1-CD2 3.6Å; F86-Y90 AromaticContact CE1-CE2 3.74Å; F86-Y90 HydrophobicContact CE1-CE2 3.74Å; F86-Y90 HydrophobicContact CE2-CD2 4.03Å; F86-Y90 AromaticContact CE2-CE2 3.49Å; F86-Y90 HydrophobicContact CE2-CE2 3.49Å; F86-Y90 VanDerWaalsContact CE2-CE2 3.49Å; F86-Y90 HydrophobicContact CG-CD2 4.41Å; F86-Y90 AromaticContact CZ-CD2 3.62Å; F86-Y90 HydrophobicContact CZ-CD2 3.62Å; F86-Y90 AromaticContact CZ-CE2 3.21Å; F86-Y90 HydrophobicContact CZ-CE2 3.21Å; F86-Y90 PolarHBondContact O-N 2.84Å; C87-Y90 PolarHBondContact O-N 3.35Å; Y90-T94 WeakPolarHBondContact O-CB 3.29Å; Y90-T94 PolarHBondContact O-N 3.18Å; Y90-T94 PolarHBondContact O-OG1 2.65Å; Y90-N121 PolarHBondContact OH-ND2 3.16Å; Y90-W200 HydrophobicContact CD2-CH2 4.35Å; Y90-W200 AromaticContact CE2-CH2 3.81Å; Y90-W200 HydrophobicContact CE2-CH2 3.81Å; Y90-W200 AromaticContact CE2-CZ2 3.97Å; Y90-W200 HydrophobicContact CE2-CZ2 3.97Å; Y90-F215 WeakPolarHBondContact OH-CZ 3.44Å
91F98.5Very high96.6Very high93 Ų9337.3 Ų37.341%0.40818%0.177SC..Hα-helixtrans-63.6-49.1168.8-179.6-91.8000110.6F61 C87 L88 H89 R93 F95 I96F61-F91 HydrophobicContact CD2-CB 4.08Å; F61-F91 HydrophobicContact CE2-CB 3.89Å; F61-F91 HydrophobicContact CE2-CD2 4.05Å; F61-F91 HydrophobicContact CE2-CG 4.47Å; F61-F91 HydrophobicContact CZ-CD2 4.12Å; C87-F91 VanDerWaalsContact O-CB 3.24Å; C87-F91 WeakPolarHBondContact O-CB 3.49Å; C87-F91 PolarHBondContact O-N 3.09Å; L88-F91 PolarHBondContact O-N 2.85Å; H89-F91 VanDerWaalsContact C-N 3.27Å; H89-F91 PolarHBondContact O-N 3.45Å; F91-R93 PolarHBondContact O-N 3.44Å; F91-F95 HydrophobicContact CB-CD2 4.44Å; F91-F95 HydrophobicContact CD2-CB 4.5Å; F91-F95 AromaticContact CD2-CD2 3.37Å; F91-F95 HydrophobicContact CD2-CD2 3.37Å; F91-F95 AromaticContact CD2-CE2 3.89Å; F91-F95 HydrophobicContact CD2-CE2 3.89Å; F91-F95 HydrophobicContact CD2-CG 4.21Å; F91-F95 HydrophobicContact CE2-CB 4.23Å; F91-F95 AromaticContact CE2-CD2 3.7Å; F91-F95 HydrophobicContact CE2-CD2 3.7Å; F91-F95 HydrophobicContact CE2-CE2 4.34Å; F91-F95 HydrophobicContact CE2-CG 4.11Å; F91-F95 HydrophobicContact CG-CD2 4.01Å; F91-F95 HydrophobicContact CZ-CB 4.34Å; F91-F95 WeakPolarHBondContact O-CB 3.23Å; F91-F95 PolarHBondContact O-N 3.33Å; F91-I96 HydrophobicContact CD1-CD1 4.5Å; F91-I96 HydrophobicContact CE1-CD1 4.24Å; F91-I96 HydrophobicContact CE1-CG1 4.45Å
92Q98.4Very high96.4Very high19 Ų1937.1 Ų37.19%0.08917%0.173CC..Iπ-helixtrans-59.5-48.4175.8-169.1-74.8-20.400110.8L88 H89 T94 I96 Y97 M156 I160L88-Q92 PolarHBondContact O-N 3.02Å; H89-Q92 WeakPolarHBondContact O-CB 3.49Å; H89-Q92 PolarHBondContact O-N 2.94Å; H89-Q92 VanDerWaalsContact O-N 3.09Å; Q92-T94 PolarHBondContact O-N 3.4Å; Q92-I96 HydrophobicContact CG-CB 4.45Å; Q92-I96 HydrophobicContact CG-CD1 4.29Å; Q92-I96 CarbonylContact O-C 3.56Å; Q92-I96 WeakPolarHBondContact O-CA 3.28Å; Q92-I96 VanDerWaalsContact O-CB 3.27Å; Q92-I96 WeakPolarHBondContact O-CB 3.49Å; Q92-I96 PolarHBondContact O-N 2.9Å; Q92-Y97 PolarHBondContact O-N 2.83Å; Q92-M156 HydrophobicContact CB-CE 3.81Å; Q92-M156 HydrophobicContact CG-CE 4.24Å; Q92-I160 HydrophobicContact CG-CD1 3.74Å; Q92-I160 HydrophobicContact CG-CG1 4.04Å
93R97.4Very high95.8Very high6 Ų638.5 Ų38.52%0.02319%0.188CC..Iπ-helixtrans-64.9-42.8-176.5-175.564.674.2-151.10111.9E57 H89 F91 S98 N159 D163 E196E57-R93 HydrophobicContact CB-CG 4.21Å; E57-R93 HydrophobicContact CG-CG 3.76Å; H89-R93 PolarHBondContact O-N 3.3Å; F91-R93 PolarHBondContact O-N 3.44Å; R93-S98 PolarHBondContact O-N 3.14Å; R93-S98 VanDerWaalsContact O-N 3.14Å; R93-S98 PolarHBondContact O-OG 3.34Å; R93-N159 PolarHBondContact NH2-ND2 2.76Å; R93-N159 PolarHBondContact NH2-OD1 3.14Å; R93-D163 IonicContact CZ-OD2 2.7Å; R93-D163 IonicContact NH1-OD2 3.77Å; R93-D163 PolarHBondContact NH1-OD2 3.13Å; R93-D163 IonicContact NH2-OD2 2.82Å; R93-E196 IonicContact CZ-OE1 3.77Å; R93-E196 IonicContact NE-OE1 3.81Å; R93-E196 IonicContact NH2-OE1 2.92Å; R93-E196 PolarHBondContact NH2-OE1 2.86Å; R93-E196 IonicContact NH2-OE2 3.31Å
94T97.7Very high95.3Very high0 Ų042.2 Ų42.20%020%0.201CC..Iπ-helixtrans-80-53.5-176-54.40000112.3F54 E57 L58 Y90 Q92 S98F54-T94 HydrophobicContact CD2-CG2 3.82Å; F54-T94 HydrophobicContact CE2-CG2 3.84Å; E57-T94 WeakPolarHBondContact CB-OG1 3.43Å; L58-T94 HydrophobicContact CB-CG2 3.92Å; L58-T94 HydrophobicContact CD1-CG2 3.98Å; Y90-T94 WeakPolarHBondContact O-CB 3.29Å; Y90-T94 PolarHBondContact O-N 3.18Å; Y90-T94 PolarHBondContact O-OG1 2.65Å; Q92-T94 PolarHBondContact O-N 3.4Å; T94-S98 WeakPolarHBondContact O-CB 3.13Å; T94-S98 PolarHBondContact O-OG 2.93Å
95F98Very high95Very high62 Ų6239.2 Ų39.227%0.27220%0.199SC..Iπ-helixtrans-95.4-17.1-169.5-58-79.1000113.7F54 L58 F61 F91 L99F54-F95 AromaticContact CE2-CD1 3.88Å; F54-F95 HydrophobicContact CE2-CD1 3.88Å; F54-F95 AromaticContact CE2-CE1 3.83Å; F54-F95 HydrophobicContact CE2-CE1 3.83Å; F54-F95 HydrophobicContact CZ-CE1 4.2Å; L58-F95 HydrophobicContact CD1-CE1 4.45Å; L58-F95 HydrophobicContact CD1-CZ 3.89Å; F61-F95 AromaticContact CD1-CE2 3.55Å; F61-F95 HydrophobicContact CD1-CE2 3.55Å; F61-F95 AromaticContact CD1-CZ 3.93Å; F61-F95 HydrophobicContact CD1-CZ 3.93Å; F61-F95 HydrophobicContact CD2-CE2 4.44Å; F61-F95 AromaticContact CE1-CE2 3.7Å; F61-F95 HydrophobicContact CE1-CE2 3.7Å; F61-F95 HydrophobicContact CE1-CZ 4.06Å; F61-F95 AromaticContact CG-CE2 3.95Å; F61-F95 HydrophobicContact CG-CE2 3.95Å; F61-F95 HydrophobicContact CZ-CE2 4.22Å; F91-F95 HydrophobicContact CB-CD2 4.44Å; F91-F95 HydrophobicContact CD2-CB 4.5Å; F91-F95 AromaticContact CD2-CD2 3.37Å; F91-F95 HydrophobicContact CD2-CD2 3.37Å; F91-F95 AromaticContact CD2-CE2 3.89Å; F91-F95 HydrophobicContact CD2-CE2 3.89Å; F91-F95 HydrophobicContact CD2-CG 4.21Å; F91-F95 HydrophobicContact CE2-CB 4.23Å; F91-F95 AromaticContact CE2-CD2 3.7Å; F91-F95 HydrophobicContact CE2-CD2 3.7Å; F91-F95 HydrophobicContact CE2-CE2 4.34Å; F91-F95 HydrophobicContact CE2-CG 4.11Å; F91-F95 HydrophobicContact CG-CD2 4.01Å; F91-F95 HydrophobicContact CZ-CB 4.34Å; F91-F95 WeakPolarHBondContact O-CB 3.23Å; F91-F95 PolarHBondContact O-N 3.33Å; F95-L99 WeakPolarHBondContact O-CD1 3.3Å; F95-L99 WeakPolarHBondContact O-CG 3.36Å
96I97.7Very high94.6Very high74 Ų7439.2 Ų39.238%0.37920%0.199SC..Iπ-helixtrans-107.5-65.6179-52.7-179.6000110F91 Q92 S98 L99 L100F91-I96 HydrophobicContact CD1-CD1 4.5Å; F91-I96 HydrophobicContact CE1-CD1 4.24Å; F91-I96 HydrophobicContact CE1-CG1 4.45Å; Q92-I96 HydrophobicContact CG-CB 4.45Å; Q92-I96 HydrophobicContact CG-CD1 4.29Å; Q92-I96 CarbonylContact O-C 3.56Å; Q92-I96 WeakPolarHBondContact O-CA 3.28Å; Q92-I96 VanDerWaalsContact O-CB 3.27Å; Q92-I96 WeakPolarHBondContact O-CB 3.49Å; Q92-I96 PolarHBondContact O-N 2.9Å; I96-S98 PolarHBondContact O-N 3.46Å; I96-L99 PolarHBondContact O-N 3.15Å; I96-L100 HydrophobicContact CG2-CD1 3.94Å; I96-L100 WeakPolarHBondContact O-CG 3.39Å; I96-L100 PolarHBondContact O-N 2.88Å
97Y96.8Very high94.2Very high27 Ų2739.6 Ų39.611%0.10620%0.202CC..Iπ-helixtrans-60.5-46.3-174.9173.2-96.6000112.4W53 Q92 L99 L100 T101 D163 L167W53-Y97 HydrophobicContact CD2-CD1 4.42Å; W53-Y97 AromaticContact CD2-CE1 3.73Å; W53-Y97 HydrophobicContact CD2-CE1 3.73Å; W53-Y97 AromaticContact CE2-CE1 3.97Å; W53-Y97 HydrophobicContact CE3-CD1 4.11Å; W53-Y97 AromaticContact CE3-CE1 3.65Å; W53-Y97 HydrophobicContact CE3-CE1 3.65Å; W53-Y97 HydrophobicContact CG-CE1 4.36Å; W53-Y97 HydrophobicContact CH2-CE1 4.05Å; W53-Y97 HydrophobicContact CZ2-CE1 4.13Å; W53-Y97 HydrophobicContact CZ3-CD1 4.44Å; W53-Y97 AromaticContact CZ3-CE1 3.82Å; W53-Y97 HydrophobicContact CZ3-CE1 3.82Å; Q92-Y97 PolarHBondContact O-N 2.83Å; Y97-L99 VanDerWaalsContact C-N 3.26Å; Y97-L99 PolarHBondContact O-N 2.91Å; Y97-L100 PolarHBondContact O-N 3.49Å; Y97-L100 VanDerWaalsContact O-N 3.1Å; Y97-T101 PolarHBondContact O-N 2.99Å; Y97-D163 HydrophobicContact CD2-CB 4.05Å; Y97-D163 HydrophobicContact CE2-CB 3.93Å; Y97-L167 HydrophobicContact CD2-CD1 4.33Å; Y97-L167 HydrophobicContact CE2-CD1 4.44Å
98S95.6Very high93.9Very high0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-63.3-30.4-178.5-55.40000113.2K50 W53 F54 R93 T94 I96 T101K50-S98 WeakPolarHBondContact CA-O 3.4Å; K50-S98 WeakPolarHBondContact CB-O 3.39Å; W53-S98 VanDerWaalsContact C-OG 3.27Å; W53-S98 WeakPolarHBondContact CB-OG 3.38Å; W53-S98 PolarHBondContact O-OG 3.34Å; F54-S98 PolarHBondContact N-OG 3.37Å; R93-S98 PolarHBondContact O-N 3.14Å; R93-S98 VanDerWaalsContact O-N 3.14Å; R93-S98 PolarHBondContact O-OG 3.34Å; T94-S98 WeakPolarHBondContact O-CB 3.13Å; T94-S98 PolarHBondContact O-OG 2.93Å; I96-S98 PolarHBondContact O-N 3.46Å; S98-T101 WeakPolarHBondContact O-CG2 3.42Å
99L93.9Very high93.5Very high97 Ų9745.7 Ų45.751%0.50823%0.225SC..Hα-helixtrans-77-28.6176.8-60.7-172.2000112.6K50 F95 I96 Y97K50-L99 WeakPolarHBondContact CD-O 3.29Å; K50-L99 VanDerWaalsContact CE-O 3.24Å; K50-L99 WeakPolarHBondContact CE-O 3.43Å; K50-L99 PolarHBondContact NZ-O 3.39Å; F95-L99 WeakPolarHBondContact O-CD1 3.3Å; F95-L99 WeakPolarHBondContact O-CG 3.36Å; I96-L99 PolarHBondContact O-N 3.15Å; Y97-L99 VanDerWaalsContact C-N 3.26Å; Y97-L99 PolarHBondContact O-N 2.91Å
100L93.6Very high93.1Very high90 Ų9046.7 Ų46.747%0.47123%0.231SC..Hα-helixtrans-90.1-17.9-179-62.9177.2000113.4I96 Y97 K102 L167I96-L100 HydrophobicContact CG2-CD1 3.94Å; I96-L100 WeakPolarHBondContact O-CG 3.39Å; I96-L100 PolarHBondContact O-N 2.88Å; Y97-L100 PolarHBondContact O-N 3.49Å; Y97-L100 VanDerWaalsContact O-N 3.1Å; L100-K102 PolarHBondContact O-N 3.48Å; L100-L167 HydrophobicContact CB-CD1 4.01Å
101T91.1Very high92.9Very high7 Ų746.6 Ų46.64%0.04323%0.231CC..  trans-59.2134.3-173.9-164.70000113.3A49 K50 W53 Y97 S98A49-T101 HydrophobicContact CB-CG2 4.18Å; K50-T101 WeakPolarHBondContact CE-O 3.47Å; K50-T101 HydrophobicContact CG-CG2 4.05Å; W53-T101 HydrophobicContact CG-CG2 4.4Å; Y97-T101 PolarHBondContact O-N 2.99Å; S98-T101 WeakPolarHBondContact O-CG2 3.42Å
102K88.3Confident92.7Very high71 Ų7148.9 Ų48.931%0.30924%0.241SC..  trans-11236.2176.3-56.8174-169.5160.40110.5L100 L167 R170L100-K102 PolarHBondContact O-N 3.48Å; K102-L167 PolarHBondContact NZ-O 3.03Å; K102-R170 HydrophobicContact CD-CB 4.32Å; K102-R170 WeakPolarHBondContact CD-O 3.33Å; K102-R170 PolarHBondContact NZ-O 3.49Å; K102-R170 PolarHBondContact O-NH1 3.24Å
103G83.3Confident92.5Very high30 Ų3051.3 Ų51.331%0.30926%0.26SS..PPolyproline II helixtrans-70.8162.8-179.900000113.4A49A49-G103 WeakPolarHBondContact CB-O 3.37Å
104R86.3Confident92.4Very high80 Ų8052.1 Ų52.130%0.30227%0.268SS..PPolyproline II helixtrans-69.3154.7164.4-66.4-173.9-177.2-167.1-5.1109.5A49 V175A49-R104 WeakPolarHBondContact CB-O 3.32Å; R104-V175 HydrophobicContact CG-CG1 4.13Å
105P88.6Confident92.3Very high69 Ų6955 Ų5545%0.44828%0.283SS..PPolyproline II helixtrans-50.6140.2171.5-26.535.2000112.4C47C47-P105 CarbonylContact O-C 3.58Å; C47-P105 VanDerWaalsContact O-CA 3.3Å; C47-P105 WeakPolarHBondContact O-CA 3.35Å
106S89.8Confident92.3Very high5 Ų555.1 Ų55.14%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-98.4139.7-178.9-65.10000110.6T46 C47T46-S106 CarbonylContact C-O 3.26Å; T46-S106 WeakPolarHBondContact CA-O 3.42Å; C47-S106 PolarHBondContact N-O 2.91Å; C47-S106 PolarHBondContact O-N 2.95Å
107P90.9Very high92.3Very high10 Ų1054 Ų547%0.06528%0.281CS..EExtended strand (participates in β ladder)trans-59.7134.5172.3-22.832.6000112.2Y109 I110 V111P107-Y109 VanDerWaalsContact C-N 3.29Å; P107-Y109 HydrophobicContact CB-CD1 3.67Å; P107-Y109 HydrophobicContact CB-CE1 3.4Å; P107-Y109 VanDerWaalsContact CB-CE1 3.4Å; P107-Y109 HydrophobicContact CG-CE1 4.2Å; P107-Y109 PolarHBondContact O-N 3.4Å; P107-I110 HydrophobicContact CB-CD1 4.24Å; P107-I110 HydrophobicContact CB-CG1 4.22Å; P107-I110 HydrophobicContact CG-CD1 3.95Å; P107-I110 HydrophobicContact CG-CG1 4.47Å; P107-I110 WeakPolarHBondContact O-CB 3.29Å; P107-I110 PolarHBondContact O-N 3.1Å; P107-V111 PolarHBondContact O-N 3.38Å
108L90.7Very high92.3Very high78 Ų7852.9 Ų52.941%0.40828%0.277SS..Hα-helixtrans-60.3-34.7-175-82.6178.8000114R45 C47 I110 V111 F112R45-L108 HydrophobicContact CB-CD1 3.5Å; R45-L108 VanDerWaalsContact CB-CD1 3.5Å; R45-L108 HydrophobicContact CB-CG 4.28Å; R45-L108 WeakPolarHBondContact O-CB 3.44Å; R45-L108 WeakPolarHBondContact O-CG 3.5Å; R45-L108 PolarHBondContact O-N 3.43Å; C47-L108 HydrophobicContact CB-CD2 3.72Å; L108-I110 PolarHBondContact O-N 2.85Å; L108-V111 PolarHBondContact O-N 3.31Å; L108-F112 WeakPolarHBondContact O-CB 3.31Å; L108-F112 PolarHBondContact O-N 2.93Å
109Y89.9Confident92.4Very high130 Ų13054.8 Ų54.851%0.5129%0.291SS..Hα-helixtrans-64.8-31178.976.4-91000112.1P32 P107 S113P32-Y109 WeakPolarHBondContact CG-OH 3.5Å; P107-Y109 VanDerWaalsContact C-N 3.29Å; P107-Y109 HydrophobicContact CB-CD1 3.67Å; P107-Y109 HydrophobicContact CB-CE1 3.4Å; P107-Y109 VanDerWaalsContact CB-CE1 3.4Å; P107-Y109 HydrophobicContact CG-CE1 4.2Å; P107-Y109 PolarHBondContact O-N 3.4Å; Y109-S113 WeakPolarHBondContact O-CB 3.44Å; Y109-S113 PolarHBondContact O-N 3.38Å; Y109-S113 PolarHBondContact O-OG 3.03Å
110I90.8Very high92.6Very high24 Ų2452.5 Ų52.512%0.12328%0.281CS..Hα-helixtrans-70.1-45.3174.1-61.6-176.8000109.4T31 P32 P107 L108 F112 S113 A114T31-I110 HydrophobicContact CG2-CD1 4.44Å; P32-I110 HydrophobicContact CG-CD1 4.25Å; P107-I110 HydrophobicContact CB-CD1 4.24Å; P107-I110 HydrophobicContact CB-CG1 4.22Å; P107-I110 HydrophobicContact CG-CD1 3.95Å; P107-I110 HydrophobicContact CG-CG1 4.47Å; P107-I110 WeakPolarHBondContact O-CB 3.29Å; P107-I110 PolarHBondContact O-N 3.1Å; L108-I110 PolarHBondContact O-N 2.85Å; I110-F112 VanDerWaalsContact C-N 3.31Å; I110-F112 PolarHBondContact O-N 3.36Å; I110-S113 PolarHBondContact O-N 3.12Å; I110-A114 WeakPolarHBondContact O-CB 3.47Å; I110-A114 PolarHBondContact O-N 2.92Å
111V93.8Very high92.8Very high7 Ų748.2 Ų48.24%0.04226%0.258CS..Hα-helixtrans-58.8-45176.8-177.40000110.7C47 A52 L55 Q56 P107 L108 A114 L115C47-V111 HydrophobicContact CB-CG2 4.38Å; A52-V111 HydrophobicContact CB-CG2 3.6Å; L55-V111 HydrophobicContact CB-CG1 4.45Å; Q56-V111 HydrophobicContact CB-CG1 4.39Å; P107-V111 PolarHBondContact O-N 3.38Å; L108-V111 PolarHBondContact O-N 3.31Å; V111-A114 PolarHBondContact O-N 2.92Å; V111-L115 VanDerWaalsContact O-CB 3.3Å; V111-L115 WeakPolarHBondContact O-CB 3.4Å; V111-L115 PolarHBondContact O-N 2.84Å
112F94.7Very high93.2Very high140 Ų14047.9 Ų47.961%0.61426%0.256SS*.Hα-helixtrans-64.1-45.3177.5-177.6-99.4000112.2L108 I110 A114 L115 V116L108-F112 WeakPolarHBondContact O-CB 3.31Å; L108-F112 PolarHBondContact O-N 2.93Å; I110-F112 VanDerWaalsContact C-N 3.31Å; I110-F112 PolarHBondContact O-N 3.36Å; F112-A114 VanDerWaalsContact C-N 3.32Å; F112-A114 PolarHBondContact O-N 3.21Å; F112-L115 PolarHBondContact O-N 2.83Å; F112-V116 HydrophobicContact CD1-CG2 4.37Å; F112-V116 HydrophobicContact CE1-CG2 3.95Å; F112-V116 HydrophobicContact CE2-CG2 4.45Å; F112-V116 HydrophobicContact CZ-CG2 3.99Å; F112-V116 WeakPolarHBondContact O-CG2 3.35Å; F112-V116 PolarHBondContact O-N 3.33Å
113S93.6Very high93.6Very high71 Ų7147 Ų4750%0.49725%0.253SS..Hα-helixtrans-61.5-42177.7-570000111.6Y109 I110 V116 F117Y109-S113 WeakPolarHBondContact O-CB 3.44Å; Y109-S113 PolarHBondContact O-N 3.38Å; Y109-S113 PolarHBondContact O-OG 3.03Å; I110-S113 PolarHBondContact O-N 3.12Å; S113-V116 PolarHBondContact O-N 3.29Å; S113-F117 WeakPolarHBondContact O-CB 3.38Å; S113-F117 PolarHBondContact O-N 3.4Å
114A94.9Very high94.3Very high23 Ų2345.6 Ų45.619%0.1924%0.238CC..Hα-helixtrans-69.3-36.8177.300000112.4Q56 I110 V111 F112 F117 C118Q56-A114 HydrophobicContact CB-CB 3.69Å; Q56-A114 HydrophobicContact CG-CB 4.2Å; I110-A114 WeakPolarHBondContact O-CB 3.47Å; I110-A114 PolarHBondContact O-N 2.92Å; V111-A114 PolarHBondContact O-N 2.92Å; F112-A114 VanDerWaalsContact C-N 3.32Å; F112-A114 PolarHBondContact O-N 3.21Å; A114-F117 PolarHBondContact O-N 3.43Å; A114-C118 WeakPolarHBondContact O-CB 3.33Å; A114-C118 PolarHBondContact O-N 3.48Å; A114-C118 PolarHBondContact O-SG 3.43Å; A114-C118 VanDerWaalsContact O-SG 3.33Å
115L97.1Very high94.8Very high59 Ų5941.9 Ų41.931%0.30922%0.224SC..Hα-helixtrans-61.8-44.9173.3-177.4154.7000111.4P59 V111 F112 S119P59-L115 HydrophobicContact CG-CG 4.13Å; V111-L115 VanDerWaalsContact O-CB 3.3Å; V111-L115 WeakPolarHBondContact O-CB 3.4Å; V111-L115 PolarHBondContact O-N 2.84Å; F112-L115 PolarHBondContact O-N 2.83Å; L115-S119 WeakPolarHBondContact O-CB 3.4Å; L115-S119 PolarHBondContact O-N 2.66Å; L115-S119 PolarHBondContact O-OG 3.17Å
116V97.3Very high95.1Very high66 Ų6638.6 Ų38.640%0.420%0.203SC..Hα-helixtrans-62.4-48175.1172.70000110.3F112 S113 C118 S119 V120F112-V116 HydrophobicContact CD1-CG2 4.37Å; F112-V116 HydrophobicContact CE1-CG2 3.95Å; F112-V116 HydrophobicContact CE2-CG2 4.45Å; F112-V116 HydrophobicContact CZ-CG2 3.99Å; F112-V116 WeakPolarHBondContact O-CG2 3.35Å; F112-V116 PolarHBondContact O-N 3.33Å; S113-V116 PolarHBondContact O-N 3.29Å; V116-C118 PolarHBondContact O-N 2.73Å; V116-S119 PolarHBondContact O-N 3.37Å; V116-V120 WeakPolarHBondContact O-CG2 3.3Å; V116-V120 PolarHBondContact O-N 3.38Å
117F97.1Very high95.4Very high49 Ų4938.4 Ų38.422%0.21520%0.201CC..Hα-helixtrans-57-50177.7177.1-92000111.9F15 S113 A114 S119 V120 N121 F215 F218F15-F117 HydrophobicContact CD1-CE2 4.11Å; F15-F117 HydrophobicContact CD1-CZ 4.3Å; F15-F117 HydrophobicContact CE1-CD2 4.4Å; F15-F117 AromaticContact CE1-CE2 3.44Å; F15-F117 HydrophobicContact CE1-CE2 3.44Å; F15-F117 VanDerWaalsContact CE1-CE2 3.44Å; F15-F117 AromaticContact CE1-CZ 3.52Å; F15-F117 HydrophobicContact CE1-CZ 3.52Å; F15-F117 HydrophobicContact CE2-CE2 4.32Å; F15-F117 HydrophobicContact CZ-CD2 4.09Å; F15-F117 AromaticContact CZ-CE2 3.56Å; F15-F117 HydrophobicContact CZ-CE2 3.56Å; F15-F117 AromaticContact CZ-CZ 3.98Å; F15-F117 HydrophobicContact CZ-CZ 3.98Å; S113-F117 WeakPolarHBondContact O-CB 3.38Å; S113-F117 PolarHBondContact O-N 3.4Å; A114-F117 PolarHBondContact O-N 3.43Å; F117-S119 VanDerWaalsContact C-N 3.3Å; F117-S119 PolarHBondContact O-N 3.33Å; F117-V120 PolarHBondContact O-N 3.25Å; F117-N121 HydrophobicContact CE1-CB 4.31Å; F117-N121 WeakPolarHBondContact O-CB 3.37Å; F117-N121 PolarHBondContact O-N 2.98Å; F117-F215 HydrophobicContact CE1-CD2 4.48Å; F117-F215 AromaticContact CE1-CE2 3.93Å; F117-F215 HydrophobicContact CE1-CE2 3.93Å; F117-F215 HydrophobicContact CZ-CD2 4.05Å; F117-F215 AromaticContact CZ-CE2 3.91Å; F117-F215 HydrophobicContact CZ-CE2 3.91Å; F117-F218 AromaticContact CD2-CE1 3.99Å; F117-F218 HydrophobicContact CD2-CE1 3.99Å; F117-F218 AromaticContact CD2-CZ 3.92Å; F117-F218 HydrophobicContact CD2-CZ 3.92Å; F117-F218 HydrophobicContact CE1-CD1 4.33Å; F117-F218 HydrophobicContact CE1-CE1 4.14Å; F117-F218 AromaticContact CE2-CD1 3.51Å; F117-F218 HydrophobicContact CE2-CD1 3.51Å; F117-F218 HydrophobicContact CE2-CD2 4.12Å; F117-F218 AromaticContact CE2-CE1 3.24Å; F117-F218 HydrophobicContact CE2-CE1 3.24Å; F117-F218 AromaticContact CE2-CE2 3.9Å; F117-F218 HydrophobicContact CE2-CE2 3.9Å; F117-F218 AromaticContact CE2-CG 3.95Å; F117-F218 HydrophobicContact CE2-CG 3.95Å; F117-F218 AromaticContact CE2-CZ 3.45Å; F117-F218 HydrophobicContact CE2-CZ 3.45Å; F117-F218 VanDerWaalsContact CE2-CZ 3.45Å; F117-F218 AromaticContact CZ-CD1 3.32Å; F117-F218 HydrophobicContact CZ-CD1 3.32Å; F117-F218 AromaticContact CZ-CE1 3.34Å; F117-F218 HydrophobicContact CZ-CE1 3.34Å; F117-F218 HydrophobicContact CZ-CG 4.04Å; F117-F218 HydrophobicContact CZ-CZ 4.06Å
118C97.9Very high95.6Very high4 Ų439.8 Ų39.83%0.02721%0.205CC..Hα-helixtrans-66.1-32.3179.9-730000112.6Q56 P59 S60 A114 V116 G122Q56-C118 WeakPolarHBondContact O-CB 3.38Å; Q56-C118 PolarHBondContact O-SG 3.01Å; P59-C118 HydrophobicContact CB-CB 4.24Å; P59-C118 HydrophobicContact CG-CB 4.46Å; S60-C118 VanDerWaalsContact OG-CA 3.24Å; S60-C118 WeakPolarHBondContact OG-CA 3.24Å; S60-C118 WeakPolarHBondContact OG-CB 3.21Å; S60-C118 PolarHBondContact OG-O 2.81Å; S60-C118 VanDerWaalsContact OG-O 3.07Å; S60-C118 PolarHBondContact OG-SG 2.89Å; A114-C118 WeakPolarHBondContact O-CB 3.33Å; A114-C118 PolarHBondContact O-N 3.48Å; A114-C118 PolarHBondContact O-SG 3.43Å; A114-C118 VanDerWaalsContact O-SG 3.33Å; V116-C118 PolarHBondContact O-N 2.73Å; C118-G122 PolarHBondContact O-N 3.41Å
119S98.1Very high95.8Very high40 Ų4036.1 Ų36.128%0.2819%0.186SC..Hα-helixtrans-65.8-46.3174.2-57.30000111.2P59 L115 V116 F117 F123P59-S119 VanDerWaalsContact CB-OG 3.29Å; P59-S119 WeakPolarHBondContact CB-OG 3.42Å; L115-S119 WeakPolarHBondContact O-CB 3.4Å; L115-S119 PolarHBondContact O-N 2.66Å; L115-S119 PolarHBondContact O-OG 3.17Å; V116-S119 PolarHBondContact O-N 3.37Å; F117-S119 VanDerWaalsContact C-N 3.3Å; F117-S119 PolarHBondContact O-N 3.33Å; S119-F123 WeakPolarHBondContact O-CB 3.46Å; S119-F123 PolarHBondContact O-N 3.36Å
120V97.8Very high95.9Very high49 Ų4930.5 Ų30.530%0.29717%0.165SC..Hα-helixtrans-67.4-42.6177.6177.90000110.8L11 F15 V116 F117 F123 L124L11-V120 HydrophobicContact CD1-CG1 4.26Å; L11-V120 HydrophobicContact CD2-CG1 3.92Å; F15-V120 HydrophobicContact CE2-CG1 3.85Å; F15-V120 HydrophobicContact CZ-CG1 4.34Å; V116-V120 WeakPolarHBondContact O-CG2 3.3Å; V116-V120 PolarHBondContact O-N 3.38Å; F117-V120 PolarHBondContact O-N 3.25Å; V120-F123 PolarHBondContact O-N 3.39Å; V120-L124 WeakPolarHBondContact O-CB 2.94Å; V120-L124 PolarHBondContact O-N 2.88Å
121N98.1Very high95.9Very high0 Ų030.7 Ų30.70%017%0.165CC..Hα-helixtrans-64.7-48177.7-17043.3000111.4F15 Y90 F117 F123 L124 Q125 F215F15-N121 HydrophobicContact CE1-CB 4.07Å; F15-N121 HydrophobicContact CZ-CB 3.91Å; Y90-N121 PolarHBondContact OH-ND2 3.16Å; F117-N121 HydrophobicContact CE1-CB 4.31Å; F117-N121 WeakPolarHBondContact O-CB 3.37Å; F117-N121 PolarHBondContact O-N 2.98Å; N121-F123 VanDerWaalsContact C-N 3.32Å; N121-F123 PolarHBondContact O-N 3.13Å; N121-L124 PolarHBondContact O-N 2.87Å; N121-L124 VanDerWaalsContact O-N 3.14Å; N121-Q125 VanDerWaalsContact O-CG 3.31Å; N121-Q125 WeakPolarHBondContact O-CG 3.44Å; N121-Q125 PolarHBondContact O-N 2.92Å; N121-Q125 WeakPolarHBondContact OD1-CG 3.28Å; N121-Q125 PolarHBondContact OD1-NE2 3.5Å; N121-F215 WeakPolarHBondContact ND2-CE1 3.45Å; N121-F215 VanDerWaalsContact ND2-CE2 3.31Å; N121-F215 WeakPolarHBondContact ND2-CE2 3.37Å; N121-F215 VanDerWaalsContact ND2-CZ 3.25Å; N121-F215 WeakPolarHBondContact ND2-CZ 3.35Å; N121-F215 WeakPolarHBondContact OD1-CG 3.15Å
122G97.7Very high95.9Very high0 Ų031.4 Ų31.40%017%0.17CC..Hα-helixtrans-57.7-44176.400000112.1P64 C118 G126P64-G122 WeakPolarHBondContact CG-O 3.41Å; C118-G122 PolarHBondContact O-N 3.41Å; G122-G126 PolarHBondContact O-N 2.93Å
123F97.4Very high95.7Very high54 Ų5424.8 Ų24.824%0.23714%0.141CC..Hα-helixtrans-61.9-49172.6174.8-99.5000111.9V7 L11 V63 L67 S119 V120 N121 Q125 H127V7-F123 HydrophobicContact CG1-CE1 4.31Å; L11-F123 HydrophobicContact CD1-CD1 4.18Å; L11-F123 HydrophobicContact CD1-CE1 4.31Å; V63-F123 HydrophobicContact CG1-CB 3.98Å; L67-F123 HydrophobicContact CD1-CD2 4.19Å; S119-F123 WeakPolarHBondContact O-CB 3.46Å; S119-F123 PolarHBondContact O-N 3.36Å; V120-F123 PolarHBondContact O-N 3.39Å; N121-F123 VanDerWaalsContact C-N 3.32Å; N121-F123 PolarHBondContact O-N 3.13Å; F123-Q125 PolarHBondContact O-N 3.26Å; F123-H127 HydrophobicContact CD2-CB 4.34Å; F123-H127 HydrophobicContact CE1-CB 4.42Å; F123-H127 HydrophobicContact CE2-CB 3.98Å; F123-H127 AromaticContact CE2-ND1 3.77Å; F123-H127 HydrophobicContact CZ-CB 4.02Å; F123-H127 AromaticContact CZ-CG 3.89Å; F123-H127 AromaticContact CZ-ND1 3.83Å; F123-H127 WeakPolarHBondContact O-CB 3.44Å; F123-H127 PolarHBondContact O-N 2.9Å
124L97.4Very high95.5Very high0 Ų027.3 Ų27.30%015%0.154CC..Hα-helixtrans-59.4-50.3-176.417859.4000111.6I8 L11 F15 V120 N121 Y128 T211I8-L124 HydrophobicContact CB-CD1 4.34Å; I8-L124 HydrophobicContact CD1-CD1 3.72Å; I8-L124 HydrophobicContact CG2-CD1 3.9Å; L11-L124 HydrophobicContact CB-CD1 3.86Å; L11-L124 HydrophobicContact CB-CD2 4.2Å; L11-L124 HydrophobicContact CD1-CD1 4.28Å; F15-L124 HydrophobicContact CD2-CD2 4.32Å; F15-L124 HydrophobicContact CE1-CD2 4.48Å; F15-L124 HydrophobicContact CE2-CD2 4.29Å; F15-L124 HydrophobicContact CG-CD2 4.45Å; F15-L124 HydrophobicContact CZ-CD2 4.37Å; V120-L124 WeakPolarHBondContact O-CB 2.94Å; V120-L124 PolarHBondContact O-N 2.88Å; N121-L124 PolarHBondContact O-N 2.87Å; N121-L124 VanDerWaalsContact O-N 3.14Å; L124-Y128 WeakPolarHBondContact O-CB 3.45Å; L124-Y128 PolarHBondContact O-N 3.33Å; L124-Y128 VanDerWaalsContact O-N 3.13Å; L124-T211 HydrophobicContact CD1-CG2 3.57Å; L124-T211 HydrophobicContact CD2-CG2 4.15Å; L124-T211 HydrophobicContact CG-CG2 3.46Å; L124-T211 VanDerWaalsContact CG-CG2 3.46Å
125Q97.3Very high95.1Very high2 Ų228.1 Ų28.11%0.00915%0.152CC..Hα-helixtrans-71.9-43.9-179.3-55.2-54.4-26.400111.8F86 N121 F123 M129 T211F86-Q125 HydrophobicContact CD2-CB 4.25Å; F86-Q125 HydrophobicContact CD2-CG 4.26Å; F86-Q125 HydrophobicContact CE1-CB 4.24Å; F86-Q125 HydrophobicContact CE2-CB 3.9Å; F86-Q125 HydrophobicContact CE2-CG 3.57Å; F86-Q125 HydrophobicContact CZ-CB 3.87Å; F86-Q125 HydrophobicContact CZ-CG 3.77Å; N121-Q125 VanDerWaalsContact O-CG 3.31Å; N121-Q125 WeakPolarHBondContact O-CG 3.44Å; N121-Q125 PolarHBondContact O-N 2.92Å; N121-Q125 WeakPolarHBondContact OD1-CG 3.28Å; N121-Q125 PolarHBondContact OD1-NE2 3.5Å; F123-Q125 PolarHBondContact O-N 3.26Å; Q125-M129 WeakPolarHBondContact O-CB 3.36Å; Q125-M129 PolarHBondContact O-N 2.82Å; Q125-T211 PolarHBondContact NE2-O 2.91Å
126G95.6Very high94.5Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-65.8-49.6-179.900000112.6G122 Y128 M129 L130G122-G126 PolarHBondContact O-N 2.93Å; G126-Y128 VanDerWaalsContact C-N 3.34Å; G126-Y128 PolarHBondContact O-N 2.66Å; G126-M129 PolarHBondContact O-N 2.9Å; G126-L130 WeakPolarHBondContact O-CB 3.38Å; G126-L130 WeakPolarHBondContact O-CG 3.15Å; G126-L130 PolarHBondContact O-N 3.33Å
127H95.2Very high93.7Very high1 Ų136 Ų361%0.00519%0.192CC..Hα-helixtrans-63.8-40.8178.9-169.295000111.2E2 K4 I8 L67 F123 H131E2-H127 PolarHBondContact O-NE2 3.26Å; K4-H127 PolarHBondContact N-NE2 3.43Å; I8-H127 HydrophobicContact CD1-CB 4.17Å; L67-H127 HydrophobicContact CD1-CB 4.32Å; F123-H127 HydrophobicContact CD2-CB 4.34Å; F123-H127 HydrophobicContact CE1-CB 4.42Å; F123-H127 HydrophobicContact CE2-CB 3.98Å; F123-H127 AromaticContact CE2-ND1 3.77Å; F123-H127 HydrophobicContact CZ-CB 4.02Å; F123-H127 AromaticContact CZ-CG 3.89Å; F123-H127 AromaticContact CZ-ND1 3.83Å; F123-H127 WeakPolarHBondContact O-CB 3.44Å; F123-H127 PolarHBondContact O-N 2.9Å; H127-H131 AromaticContact CD2-CD2 3.98Å; H127-H131 AromaticContact CE1-CD2 3.35Å; H127-H131 PolarHBondContact CE1-CD2 2.99Å; H127-H131 AromaticContact CG-CD2 3.79Å; H127-H131 AromaticContact ND1-CD2 3.43Å; H127-H131 PolarHBondContact ND1-CD2 3.37Å; H127-H131 AromaticContact NE2-CD2 3.71Å; H127-H131 WeakPolarHBondContact O-CB 3.44Å; H127-H131 PolarHBondContact O-N 2.89Å
128Y95.4Very high93.1Very high38 Ų3838 Ų3815%0.14921%0.209CC..Iπ-helixtrans-60.5-50.8175.9176.6-102.2000111.4I8 L124 G126 L130 C132 A133 S209 T211I8-Y128 HydrophobicContact CG2-CD2 4.03Å; L124-Y128 WeakPolarHBondContact O-CB 3.45Å; L124-Y128 PolarHBondContact O-N 3.33Å; L124-Y128 VanDerWaalsContact O-N 3.13Å; G126-Y128 VanDerWaalsContact C-N 3.34Å; G126-Y128 PolarHBondContact O-N 2.66Å; Y128-L130 PolarHBondContact O-N 3.31Å; Y128-C132 HydrophobicContact CD2-CB 3.62Å; Y128-C132 HydrophobicContact CE2-CB 4.03Å; Y128-C132 HydrophobicContact CG-CB 4.42Å; Y128-C132 CarbonylContact O-C 3.52Å; Y128-C132 WeakPolarHBondContact O-CA 3.27Å; Y128-C132 WeakPolarHBondContact O-CB 3.49Å; Y128-C132 PolarHBondContact O-N 3.08Å; Y128-A133 HydrophobicContact CD1-CB 4.41Å; Y128-A133 HydrophobicContact CE1-CB 3.96Å; Y128-A133 PolarHBondContact O-N 3.31Å; Y128-S209 WeakPolarHBondContact CE1-OG 3.1Å; Y128-S209 WeakPolarHBondContact OH-CB 3.46Å; Y128-T211 HydrophobicContact CD1-CG2 4.38Å; Y128-T211 WeakPolarHBondContact CD2-OG1 3.42Å; Y128-T211 HydrophobicContact CG-CG2 4.01Å
129M94.3Very high92.5Very high1 Ų138.6 Ų38.61%0.00521%0.21CC..Iπ-helixtrans-65.8-39.8-176.2-165.156.664.500112.9K79 L82 L83 Q125 G126 A133 Y135 T207K79-M129 HydrophobicContact CB-CG 4.28Å; K79-M129 HydrophobicContact CB-SD 4.07Å; K79-M129 HydrophobicContact CG-SD 4.4Å; K79-M129 WeakPolarHBondContact O-CG 3.43Å; L82-M129 HydrophobicContact CB-CE 3.64Å; L82-M129 HydrophobicContact CB-SD 3.91Å; L82-M129 HydrophobicContact CD1-CE 4.2Å; L82-M129 HydrophobicContact CD1-SD 4.29Å; L83-M129 HydrophobicContact CB-CG 3.89Å; L83-M129 HydrophobicContact CD1-CB 4.35Å; Q125-M129 WeakPolarHBondContact O-CB 3.36Å; Q125-M129 PolarHBondContact O-N 2.82Å; G126-M129 PolarHBondContact O-N 2.9Å; M129-A133 HydrophobicContact SD-CB 4.08Å; M129-Y135 HydrophobicContact SD-CE2 3.97Å; M129-T207 HydrophobicContact CE-CG2 3.66Å
130L93Very high91.7Very high12 Ų1242.2 Ų42.26%0.06322%0.223CC..Iπ-helixtrans-75.9-38.6-178.2-71167.9000113.1L67 L68 T73 L83 G126 Y128L67-L130 HydrophobicContact CB-CD1 3.57Å; L68-L130 HydrophobicContact CB-CD1 4.37Å; L68-L130 HydrophobicContact CD1-CD2 3.78Å; T73-L130 WeakPolarHBondContact CG2-O 3.48Å; L83-L130 HydrophobicContact CD2-CD1 4.46Å; L83-L130 HydrophobicContact CD2-CD2 3.75Å; L83-L130 HydrophobicContact CD2-CG 4.06Å; G126-L130 WeakPolarHBondContact O-CB 3.38Å; G126-L130 WeakPolarHBondContact O-CG 3.15Å; G126-L130 PolarHBondContact O-N 3.33Å; Y128-L130 PolarHBondContact O-N 3.31Å
131H91.4Very high91.1Very high29 Ų2945.9 Ų45.913%0.13425%0.245CC..Iπ-helixtrans-117-26.4-167-56.5-66000115M1 C3 T71 H127M1-H131 PolarHBondContact O-CE1 3.19Å; M1-H131 PolarHBondContact O-ND1 3.44Å; C3-H131 HydrophobicContact CB-CB 4.46Å; C3-H131 WeakPolarHBondContact CB-O 3.3Å; T71-H131 WeakPolarHBondContact CG2-CE1 3.48Å; T71-H131 PolarHBondContact OG1-CE1 2.99Å; H127-H131 AromaticContact CD2-CD2 3.98Å; H127-H131 AromaticContact CE1-CD2 3.35Å; H127-H131 PolarHBondContact CE1-CD2 2.99Å; H127-H131 AromaticContact CG-CD2 3.79Å; H127-H131 AromaticContact ND1-CD2 3.43Å; H127-H131 PolarHBondContact ND1-CD2 3.37Å; H127-H131 AromaticContact NE2-CD2 3.71Å; H127-H131 WeakPolarHBondContact O-CB 3.44Å; H127-H131 PolarHBondContact O-N 2.89Å
132C92.1Very high90.8Very high22 Ų2247.5 Ų47.515%0.14925%0.254CS..Iπ-helixtrans-114.9-28-168.4-60.40000114C3 Y128 T134C3-C132 VanDerWaalsContact CA-SG 3.56Å; C3-C132 HydrophobicContact CB-CB 4.05Å; C3-C132 WeakPolarHBondContact CB-SG 3.41Å; C3-C132 VanDerWaalsContact SG-CA 3.5Å; C3-C132 WeakPolarHBondContact SG-CB 3.4Å; C3-C132 CovalentContact SG-SG 2.03Å; C3-C132 PolarHBondContact SG-SG 2.91Å; Y128-C132 HydrophobicContact CD2-CB 3.62Å; Y128-C132 HydrophobicContact CE2-CB 4.03Å; Y128-C132 HydrophobicContact CG-CB 4.42Å; Y128-C132 CarbonylContact O-C 3.52Å; Y128-C132 WeakPolarHBondContact O-CA 3.27Å; Y128-C132 WeakPolarHBondContact O-CB 3.49Å; Y128-C132 PolarHBondContact O-N 3.08Å; C132-T134 PolarHBondContact O-N 2.91Å
133A91.8Very high90.6Very high0 Ų053.8 Ų53.80%029%0.286CS..  trans-66.3127.5179.800000110K79 Y128 M129 Y135K79-A133 WeakPolarHBondContact CE-O 3.44Å; K79-A133 PolarHBondContact NZ-O 3.39Å; Y128-A133 HydrophobicContact CD1-CB 4.41Å; Y128-A133 HydrophobicContact CE1-CB 3.96Å; Y128-A133 PolarHBondContact O-N 3.31Å; M129-A133 HydrophobicContact SD-CB 4.08Å; A133-Y135 HydrophobicContact CB-CE2 3.91Å
134T88Confident90.5Very high124 Ų12455 Ų5576%0.76129%0.289SS*.  trans-119.1125.5171.6490000107.9C132C132-T134 PolarHBondContact O-N 2.91Å
135Y87.8Confident90.4Very high41 Ų4155.4 Ų55.416%0.16129%0.292CS..  trans-125.4131179.1-66.5-56.2000107.7K79 L82 M129 A133 W139 T207K79-Y135 HydrophobicContact CG-CD2 3.65Å; K79-Y135 HydrophobicContact CG-CE2 3.87Å; L82-Y135 HydrophobicContact CD1-CE2 3.74Å; M129-Y135 HydrophobicContact SD-CE2 3.97Å; A133-Y135 HydrophobicContact CB-CE2 3.91Å; Y135-W139 HydrophobicContact CD1-CB 4.46Å; Y135-W139 AromaticContact CD1-CD1 3.49Å; Y135-W139 VanDerWaalsContact CD1-CD1 3.49Å; Y135-W139 AromaticContact CD1-CD2 3.57Å; Y135-W139 HydrophobicContact CD1-CD2 3.57Å; Y135-W139 AromaticContact CD1-CE2 3.49Å; Y135-W139 VanDerWaalsContact CD1-CE2 3.49Å; Y135-W139 HydrophobicContact CD1-CE3 4.27Å; Y135-W139 AromaticContact CD1-CG 3.6Å; Y135-W139 HydrophobicContact CD1-CG 3.6Å; Y135-W139 HydrophobicContact CD1-CZ2 4.17Å; Y135-W139 AromaticContact CD1-NE1 3.41Å; Y135-W139 HydrophobicContact CE1-CD2 4.16Å; Y135-W139 AromaticContact CE1-CE2 3.58Å; Y135-W139 HydrophobicContact CE1-CG 4.42Å; Y135-W139 AromaticContact CE1-CZ2 3.92Å; Y135-W139 HydrophobicContact CE1-CZ2 3.92Å; Y135-W139 AromaticContact CE1-NE1 3.47Å; Y135-W139 HydrophobicContact CG-CB 4.39Å; Y135-W139 AromaticContact CG-CD1 3.63Å; Y135-W139 HydrophobicContact CG-CD2 4.32Å; Y135-W139 AromaticContact CG-CG 3.86Å; Y135-W139 HydrophobicContact CG-CG 3.86Å; Y135-W139 AromaticContact CG-NE1 3.98Å; Y135-T207 WeakPolarHBondContact CE1-O 3.37Å; Y135-T207 WeakPolarHBondContact OH-CA 3.35Å; Y135-T207 PolarHBondContact OH-O 3.43Å
136D84.1Confident90.3Very high126 Ų12657.5 Ų57.567%0.67431%0.314SS*.  trans-68.4159.8175.1-58.1-37000110.3T138 W139D136-T138 PolarHBondContact O-N 3.27Å; D136-W139 WeakPolarHBondContact O-CB 3.2Å; D136-W139 PolarHBondContact O-N 2.84Å
137D80.1Confident90.4Very high164 Ų16460.1 Ų60.188%0.87733%0.33SS*.G310 helixtrans-58.4-24.3-178.5-66.2-34.2000113W139D137-W139 VanDerWaalsContact C-N 3.32Å
138T84.6Confident90.5Very high90 Ų9060.1 Ų60.155%0.55233%0.33SS*.G310 helixtrans-82.2-4.6177.159.20000113.8D136 Q140 T141 D142D136-T138 PolarHBondContact O-N 3.27Å; T138-Q140 PolarHBondContact O-N 2.95Å; T138-T141 PolarHBondContact O-N 2.93Å; T138-T141 VanDerWaalsContact O-N 3.12Å; T138-T141 PolarHBondContact O-OG1 2.87Å; T138-T141 VanDerWaalsContact O-OG1 3.06Å; T138-D142 PolarHBondContact O-N 3.45Å
139W85.1Confident90.7Very high17 Ų1759.5 Ų59.56%0.06433%0.329CS..G310 helixtrans-61-32-174.9-167.7-109.1000113.1Y135 D136 D137 T141 D142 R144 L145 A206 W208Y135-W139 HydrophobicContact CD1-CB 4.46Å; Y135-W139 AromaticContact CD1-CD1 3.49Å; Y135-W139 VanDerWaalsContact CD1-CD1 3.49Å; Y135-W139 AromaticContact CD1-CD2 3.57Å; Y135-W139 HydrophobicContact CD1-CD2 3.57Å; Y135-W139 AromaticContact CD1-CE2 3.49Å; Y135-W139 VanDerWaalsContact CD1-CE2 3.49Å; Y135-W139 HydrophobicContact CD1-CE3 4.27Å; Y135-W139 AromaticContact CD1-CG 3.6Å; Y135-W139 HydrophobicContact CD1-CG 3.6Å; Y135-W139 HydrophobicContact CD1-CZ2 4.17Å; Y135-W139 AromaticContact CD1-NE1 3.41Å; Y135-W139 HydrophobicContact CE1-CD2 4.16Å; Y135-W139 AromaticContact CE1-CE2 3.58Å; Y135-W139 HydrophobicContact CE1-CG 4.42Å; Y135-W139 AromaticContact CE1-CZ2 3.92Å; Y135-W139 HydrophobicContact CE1-CZ2 3.92Å; Y135-W139 AromaticContact CE1-NE1 3.47Å; Y135-W139 HydrophobicContact CG-CB 4.39Å; Y135-W139 AromaticContact CG-CD1 3.63Å; Y135-W139 HydrophobicContact CG-CD2 4.32Å; Y135-W139 AromaticContact CG-CG 3.86Å; Y135-W139 HydrophobicContact CG-CG 3.86Å; Y135-W139 AromaticContact CG-NE1 3.98Å; D136-W139 WeakPolarHBondContact O-CB 3.2Å; D136-W139 PolarHBondContact O-N 2.84Å; D137-W139 VanDerWaalsContact C-N 3.32Å; W139-T141 PolarHBondContact O-N 2.84Å; W139-D142 HydrophobicContact CD2-CB 4.44Å; W139-D142 HydrophobicContact CE3-CB 4.16Å; W139-D142 WeakPolarHBondContact O-CB 3.09Å; W139-D142 PolarHBondContact O-N 3.35Å; W139-D142 VanDerWaalsContact O-N 3.12Å; W139-R144 HydrophobicContact CH2-CB 4.32Å; W139-L145 WeakPolarHBondContact O-CD2 3.33Å; W139-A206 VanDerWaalsContact CZ2-O 3.3Å; W139-A206 WeakPolarHBondContact CZ2-O 3.37Å; W139-A206 PolarHBondContact NE1-O 3.06Å; W139-W208 HydrophobicContact CH2-CB 3.58Å; W139-W208 HydrophobicContact CH2-CG 4.23Å; W139-W208 HydrophobicContact CZ2-CB 3.96Å
140Q81.4Confident90.8Very high116 Ų11665.2 Ų65.254%0.54236%0.359SS..G310 helixtrans-65-25.5-179.7-62.1-179.723.400113T138T138-Q140 PolarHBondContact O-N 2.95Å
141T85.4Confident91.1Very high126 Ų12667.6 Ų67.677%0.77337%0.371SS*.G310 helixtrans-103.83.1177.355.70000112.5T138 W139T138-T141 PolarHBondContact O-N 2.93Å; T138-T141 VanDerWaalsContact O-N 3.12Å; T138-T141 PolarHBondContact O-OG1 2.87Å; T138-T141 VanDerWaalsContact O-OG1 3.06Å; W139-T141 PolarHBondContact O-N 2.84Å
142D90.9Very high91.5Very high34 Ų3466.2 Ų66.218%0.18236%0.364CS..  trans-69.5135.3-179.9-162.2-70000111.1T138 W139 R144 L145 G146T138-D142 PolarHBondContact O-N 3.45Å; W139-D142 HydrophobicContact CD2-CB 4.44Å; W139-D142 HydrophobicContact CE3-CB 4.16Å; W139-D142 WeakPolarHBondContact O-CB 3.09Å; W139-D142 PolarHBondContact O-N 3.35Å; W139-D142 VanDerWaalsContact O-N 3.12Å; D142-R144 VanDerWaalsContact CG-NE 3.34Å; D142-R144 PolarHBondContact O-N 2.91Å; D142-R144 WeakPolarHBondContact OD1-CB 3.35Å; D142-R144 VanDerWaalsContact OD1-CG 3.29Å; D142-R144 WeakPolarHBondContact OD1-CG 3.49Å; D142-R144 IonicContact OD1-CZ 2.76Å; D142-R144 PolarHBondContact OD1-N 3.28Å; D142-R144 IonicContact OD1-NE 3.86Å; D142-R144 PolarHBondContact OD1-NE 3.26Å; D142-R144 IonicContact OD1-NH2 3.17Å; D142-R144 IonicContact OD2-CZ 3.27Å; D142-R144 IonicContact OD2-NE 3.57Å; D142-R144 PolarHBondContact OD2-NE 3.41Å; D142-R144 IonicContact OD2-NH2 3.52Å; D142-R144 PolarHBondContact OD2-NH2 3.41Å; D142-L145 PolarHBondContact O-N 3.06Å; D142-L145 VanDerWaalsContact O-N 3.14Å; D142-G146 PolarHBondContact O-N 3.12Å
143I94.6Very high91.8Very high132 Ų13269.7 Ų69.768%0.67738%0.377SS*.Hα-helixtrans-58.8-30.7179.1-166.2165.9000112.2G146 T147I143-G146 PolarHBondContact O-N 3.2Å; I143-T147 HydrophobicContact CG1-CG2 3.86Å; I143-T147 VanDerWaalsContact O-CB 3.32Å; I143-T147 WeakPolarHBondContact O-CB 3.24Å; I143-T147 VanDerWaalsContact O-CG2 3.29Å; I143-T147 WeakPolarHBondContact O-CG2 3.39Å; I143-T147 PolarHBondContact O-N 2.87Å; I143-T147 PolarHBondContact O-OG1 3.24Å
144R95.1Very high92.1Very high79 Ų7974 Ų7430%0.29840%0.4SS..Hα-helixtrans-63.6-42.6178.2-67.4170.3-77.4-174.4-6.1111.6W139 D142 T147 G148 L205W139-R144 HydrophobicContact CH2-CB 4.32Å; D142-R144 VanDerWaalsContact CG-NE 3.34Å; D142-R144 PolarHBondContact O-N 2.91Å; D142-R144 WeakPolarHBondContact OD1-CB 3.35Å; D142-R144 VanDerWaalsContact OD1-CG 3.29Å; D142-R144 WeakPolarHBondContact OD1-CG 3.49Å; D142-R144 IonicContact OD1-CZ 2.76Å; D142-R144 PolarHBondContact OD1-N 3.28Å; D142-R144 IonicContact OD1-NE 3.86Å; D142-R144 PolarHBondContact OD1-NE 3.26Å; D142-R144 IonicContact OD1-NH2 3.17Å; D142-R144 IonicContact OD2-CZ 3.27Å; D142-R144 IonicContact OD2-NE 3.57Å; D142-R144 PolarHBondContact OD2-NE 3.41Å; D142-R144 IonicContact OD2-NH2 3.52Å; D142-R144 PolarHBondContact OD2-NH2 3.41Å; R144-T147 PolarHBondContact O-OG1 2.67Å; R144-G148 WeakPolarHBondContact O-CA 3.24Å; R144-G148 PolarHBondContact O-N 3.12Å; R144-L205 HydrophobicContact CB-CD1 4.37Å; R144-L205 HydrophobicContact CG-CD1 4.25Å
145L94.8Very high92.6Very high9 Ų968.1 Ų68.15%0.04736%0.364CS..Hα-helixtrans-63.7-52177.2-179.463000110.6L82 W139 D142 G148 L149 A206L82-L145 HydrophobicContact CD1-CD1 4.39Å; L82-L145 HydrophobicContact CD2-CD1 3.89Å; L82-L145 HydrophobicContact CG-CD1 4.34Å; W139-L145 WeakPolarHBondContact O-CD2 3.33Å; D142-L145 PolarHBondContact O-N 3.06Å; D142-L145 VanDerWaalsContact O-N 3.14Å; L145-G148 PolarHBondContact O-N 3.48Å; L145-L149 HydrophobicContact CD1-CD1 3.81Å; L145-L149 HydrophobicContact CD1-CG 4.11Å; L145-L149 HydrophobicContact CG-CD1 4.03Å; L145-L149 WeakPolarHBondContact O-CB 3.43Å; L145-L149 VanDerWaalsContact O-CG 3.3Å; L145-L149 WeakPolarHBondContact O-CG 3.39Å; L145-L149 PolarHBondContact O-N 3Å; L145-A206 HydrophobicContact CD1-CB 4.22Å
146G95.6Very high93.1Very high47 Ų4766.9 Ų66.949%0.48536%0.36SS..Hα-helixtrans-63.1-47.5-178.200000113.3D142 I143 L150D142-G146 PolarHBondContact O-N 3.12Å; I143-G146 PolarHBondContact O-N 3.2Å; G146-L150 WeakPolarHBondContact O-CB 3.06Å; G146-L150 PolarHBondContact O-N 3.29Å
147T97.4Very high93.8Very high55 Ų5563.6 Ų63.634%0.33735%0.35SS..Hα-helixtrans-67.6-40.9178.154.60000112I143 R144 L150 M151 L205I143-T147 HydrophobicContact CG1-CG2 3.86Å; I143-T147 VanDerWaalsContact O-CB 3.32Å; I143-T147 WeakPolarHBondContact O-CB 3.24Å; I143-T147 VanDerWaalsContact O-CG2 3.29Å; I143-T147 WeakPolarHBondContact O-CG2 3.39Å; I143-T147 PolarHBondContact O-N 2.87Å; I143-T147 PolarHBondContact O-OG1 3.24Å; R144-T147 PolarHBondContact O-OG1 2.67Å; T147-L150 PolarHBondContact O-N 3.48Å; T147-M151 WeakPolarHBondContact O-CB 3.41Å; T147-M151 VanDerWaalsContact O-CG 3.31Å; T147-M151 WeakPolarHBondContact O-CG 3.46Å; T147-M151 PolarHBondContact O-N 3.42Å; T147-L205 WeakPolarHBondContact OG1-CD2 3.34Å
148G98.1Very high94.7Very high0 Ų057.1 Ų57.10%032%0.315CS..Hα-helixtrans-64.2-43.3177.500000112.9R144 L145 M151 F152 G202R144-G148 WeakPolarHBondContact O-CA 3.24Å; R144-G148 PolarHBondContact O-N 3.12Å; L145-G148 PolarHBondContact O-N 3.48Å; G148-M151 PolarHBondContact O-N 3.31Å; G148-F152 WeakPolarHBondContact O-CB 3.33Å; G148-F152 PolarHBondContact O-N 2.9Å; G148-G202 CarbonylContact C-O 3.34Å; G148-G202 WeakPolarHBondContact CA-O 3.44Å; G148-G202 CarbonylContact O-C 3.55Å; G148-G202 VanDerWaalsContact O-C 3.28Å; G148-G202 VanDerWaalsContact O-CA 3.23Å; G148-G202 WeakPolarHBondContact O-CA 3.37Å
149L97.9Very high95.4Very high25 Ų2552.9 Ų52.913%0.13129%0.289CS..Hα-helixtrans-66-40174.7-71.8174.7000112.2L81 L82 T85 L145 M151 F152 F153 A206L81-L149 HydrophobicContact CD2-CD1 3.79Å; L81-L149 HydrophobicContact CG-CD1 4.49Å; L82-L149 HydrophobicContact CD2-CD2 4.32Å; T85-L149 HydrophobicContact CG2-CD2 4.2Å; L145-L149 HydrophobicContact CD1-CD1 3.81Å; L145-L149 HydrophobicContact CD1-CG 4.11Å; L145-L149 HydrophobicContact CG-CD1 4.03Å; L145-L149 WeakPolarHBondContact O-CB 3.43Å; L145-L149 VanDerWaalsContact O-CG 3.3Å; L145-L149 WeakPolarHBondContact O-CG 3.39Å; L145-L149 PolarHBondContact O-N 3Å; L149-M151 VanDerWaalsContact C-N 3.35Å; L149-M151 PolarHBondContact O-N 2.7Å; L149-F152 WeakPolarHBondContact O-CB 3.2Å; L149-F152 PolarHBondContact O-N 3.35Å; L149-F153 HydrophobicContact CB-CD2 4.44Å; L149-F153 HydrophobicContact CB-CE2 4.37Å; L149-F153 HydrophobicContact CD2-CE2 4.29Å; L149-F153 WeakPolarHBondContact O-CD2 3.23Å; L149-F153 PolarHBondContact O-N 3.15Å; L149-A206 HydrophobicContact CG-CB 4.4Å
150L98.4Very high96Very high122 Ų12254.9 Ų54.964%0.63930%0.3SS*.Hα-helixtrans-59.6-47174.317762.9000111.2G146 T147 F152 L154G146-L150 WeakPolarHBondContact O-CB 3.06Å; G146-L150 PolarHBondContact O-N 3.29Å; T147-L150 PolarHBondContact O-N 3.48Å; L150-F152 VanDerWaalsContact C-N 3.32Å; L150-F152 PolarHBondContact O-N 2.82Å; L150-L154 VanDerWaalsContact O-CB 3.23Å; L150-L154 WeakPolarHBondContact O-CB 3.34Å; L150-L154 PolarHBondContact O-N 3.17Å
151M98.6Very high96.8Very high61 Ų6153.9 Ų53.930%0.330%0.295SS..Hα-helixtrans-60.5-42.6174.6-72.9174.165.500111.5T147 G148 L149 G155 L198 C201 L205T147-M151 WeakPolarHBondContact O-CB 3.41Å; T147-M151 VanDerWaalsContact O-CG 3.31Å; T147-M151 WeakPolarHBondContact O-CG 3.46Å; T147-M151 PolarHBondContact O-N 3.42Å; G148-M151 PolarHBondContact O-N 3.31Å; L149-M151 VanDerWaalsContact C-N 3.35Å; L149-M151 PolarHBondContact O-N 2.7Å; M151-G155 PolarHBondContact O-N 3.09Å; M151-L198 HydrophobicContact CB-CD1 4.26Å; M151-L198 HydrophobicContact CE-CD1 3.7Å; M151-L198 HydrophobicContact CG-CD1 4.32Å; M151-C201 HydrophobicContact CE-CB 4.29Å; M151-L205 HydrophobicContact SD-CD2 3.84Å
152F98.7Very high97.4Very high1 Ų147.9 Ų47.90%0.00426%0.258CS..Hα-helixtrans-56.8-58.5177.6-175.4-86.9000111.5T85 H89 G148 L149 L150 L154 G155 M156 E199 W200 Y203T85-F152 HydrophobicContact CG2-CD1 3.38Å; T85-F152 HydrophobicContact CG2-CD2 4.01Å; T85-F152 HydrophobicContact CG2-CE1 3.25Å; T85-F152 HydrophobicContact CG2-CE2 3.87Å; T85-F152 HydrophobicContact CG2-CG 3.77Å; T85-F152 HydrophobicContact CG2-CZ 3.49Å; T85-F152 VanDerWaalsContact CG2-CZ 3.49Å; T85-F152 WeakPolarHBondContact O-CZ 3.49Å; H89-F152 HydrophobicContact CB-CZ 4.06Å; G148-F152 WeakPolarHBondContact O-CB 3.33Å; G148-F152 PolarHBondContact O-N 2.9Å; L149-F152 WeakPolarHBondContact O-CB 3.2Å; L149-F152 PolarHBondContact O-N 3.35Å; L150-F152 VanDerWaalsContact C-N 3.32Å; L150-F152 PolarHBondContact O-N 2.82Å; F152-L154 VanDerWaalsContact C-N 3.35Å; F152-L154 PolarHBondContact O-N 3.41Å; F152-G155 PolarHBondContact O-N 2.86Å; F152-M156 HydrophobicContact CE1-SD 4.05Å; F152-M156 WeakPolarHBondContact O-CB 3.2Å; F152-M156 PolarHBondContact O-N 2.92Å; F152-E199 HydrophobicContact CD1-CG 4.35Å; F152-E199 HydrophobicContact CD2-CG 3.46Å; F152-E199 VanDerWaalsContact CD2-CG 3.46Å; F152-E199 VanDerWaalsContact CD2-O 3.28Å; F152-E199 WeakPolarHBondContact CD2-O 3.47Å; F152-E199 HydrophobicContact CE1-CG 4.23Å; F152-E199 HydrophobicContact CE2-CG 3.36Å; F152-E199 HydrophobicContact CG-CG 3.99Å; F152-E199 HydrophobicContact CZ-CG 3.78Å; F152-E199 WeakPolarHBondContact CZ-OE1 3.41Å; F152-W200 HydrophobicContact CE2-CE3 4.38Å; F152-W200 HydrophobicContact CE2-CZ3 4.12Å; F152-Y203 HydrophobicContact CD2-CD2 4.29Å; F152-Y203 HydrophobicContact CD2-CG 4.42Å; F152-Y203 HydrophobicContact CE2-CD2 4.29Å; F152-Y203 HydrophobicContact CE2-CG 4.43Å
153F98.7Very high97.7Very high94 Ų9446.5 Ų46.541%0.41225%0.251SS..Hα-helixtrans-67.7-34.2-176.1-72.1-64.5000112.7L88 L149 A157L88-F153 HydrophobicContact CD2-CE1 3.88Å; L149-F153 HydrophobicContact CB-CD2 4.44Å; L149-F153 HydrophobicContact CB-CE2 4.37Å; L149-F153 HydrophobicContact CD2-CE2 4.29Å; L149-F153 WeakPolarHBondContact O-CD2 3.23Å; L149-F153 PolarHBondContact O-N 3.15Å; F153-A157 VanDerWaalsContact O-CB 3.27Å; F153-A157 WeakPolarHBondContact O-CB 3.2Å; F153-A157 PolarHBondContact O-N 2.67Å
154L98.6Very high97.8Very high92 Ų9245.1 Ų45.148%0.48224%0.241SC..Hα-helixtrans-64.6-45.2172.6-178.761000111.1L150 F152 A157 I158 L198L150-L154 VanDerWaalsContact O-CB 3.23Å; L150-L154 WeakPolarHBondContact O-CB 3.34Å; L150-L154 PolarHBondContact O-N 3.17Å; F152-L154 VanDerWaalsContact C-N 3.35Å; F152-L154 PolarHBondContact O-N 3.41Å; L154-A157 PolarHBondContact O-N 3.35Å; L154-I158 HydrophobicContact CD1-CD1 4.22Å; L154-I158 HydrophobicContact CG-CD1 4.09Å; L154-I158 VanDerWaalsContact O-CG1 3.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.25Å; L154-I158 PolarHBondContact O-N 3.32Å; L154-L198 HydrophobicContact CD2-CD2 4.21Å; L154-L198 HydrophobicContact CG-CD2 4.18Å
155G98.7Very high97.9Very high0 Ų042.5 Ų42.50%023%0.233CC..Hα-helixtrans-59.7-48.5175.400000112.2M151 F152 A157 I158 N159 G195M151-G155 PolarHBondContact O-N 3.09Å; F152-G155 PolarHBondContact O-N 2.86Å; G155-A157 PolarHBondContact O-N 3.36Å; G155-I158 PolarHBondContact O-N 3.06Å; G155-N159 WeakPolarHBondContact O-CB 3.41Å; G155-N159 PolarHBondContact O-N 3.41Å; G155-G195 CarbonylContact C-O 3.28Å; G155-G195 VanDerWaalsContact C-O 3.26Å; G155-G195 WeakPolarHBondContact CA-O 3.39Å; G155-G195 CarbonylContact O-C 3.4Å; G155-G195 VanDerWaalsContact O-CA 3.26Å; G155-G195 WeakPolarHBondContact O-CA 3.09Å
156M98.7Very high97.9Very high15 Ų1544 Ų447%0.07424%0.241CC..Hα-helixtrans-59.8-44.3177-168.6-178.9-176.800111.6L88 Q92 F152 I158 N159 I160 E199L88-M156 HydrophobicContact CD2-SD 4.36Å; L88-M156 HydrophobicContact CG-CE 4.06Å; L88-M156 HydrophobicContact CG-SD 4.38Å; Q92-M156 HydrophobicContact CB-CE 3.81Å; Q92-M156 HydrophobicContact CG-CE 4.24Å; F152-M156 HydrophobicContact CE1-SD 4.05Å; F152-M156 WeakPolarHBondContact O-CB 3.2Å; F152-M156 PolarHBondContact O-N 2.92Å; M156-I158 PolarHBondContact O-N 3.48Å; M156-N159 PolarHBondContact O-N 2.87Å; M156-I160 HydrophobicContact CE-CD1 3.8Å; M156-I160 HydrophobicContact CG-CD1 3.77Å; M156-I160 HydrophobicContact CG-CG1 4.4Å; M156-I160 WeakPolarHBondContact O-CB 3.36Å; M156-I160 VanDerWaalsContact O-CG1 3.26Å; M156-I160 WeakPolarHBondContact O-CG1 3.26Å; M156-I160 PolarHBondContact O-N 2.85Å; M156-I160 HydrophobicContact SD-CD1 4.45Å; M156-E199 HydrophobicContact CB-CG 4.29Å; M156-E199 WeakPolarHBondContact CB-OE1 3.29Å; M156-E199 WeakPolarHBondContact CG-OE1 3.5Å
157A98.7Very high97.8Very high56 Ų5642.7 Ų42.746%0.46322%0.223SC..Hα-helixtrans-61.5-44.5176.800000111.8F153 L154 G155 H161F153-A157 VanDerWaalsContact O-CB 3.27Å; F153-A157 WeakPolarHBondContact O-CB 3.2Å; F153-A157 PolarHBondContact O-N 2.67Å; L154-A157 PolarHBondContact O-N 3.35Å; G155-A157 PolarHBondContact O-N 3.36Å; A157-H161 WeakPolarHBondContact O-CB 3.5Å; A157-H161 PolarHBondContact O-N 3.06Å
158I98.6Very high97.6Very high29 Ų2944.7 Ų44.715%0.14923%0.231CC..Hα-helixtrans-63.1-43.3175.9-68.1166.5000110.7L154 G155 M156 S162 M184 F194 L198L154-I158 HydrophobicContact CD1-CD1 4.22Å; L154-I158 HydrophobicContact CG-CD1 4.09Å; L154-I158 VanDerWaalsContact O-CG1 3.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.25Å; L154-I158 PolarHBondContact O-N 3.32Å; G155-I158 PolarHBondContact O-N 3.06Å; M156-I158 PolarHBondContact O-N 3.48Å; I158-S162 WeakPolarHBondContact O-CB 3.47Å; I158-S162 PolarHBondContact O-N 3.44Å; I158-S162 PolarHBondContact O-OG 3.15Å; I158-M184 HydrophobicContact CG2-CB 4.03Å; I158-M184 HydrophobicContact CG2-CG 4.12Å; I158-F194 HydrophobicContact CD1-CD1 4.42Å; I158-F194 HydrophobicContact CD1-CE1 4.06Å; I158-F194 HydrophobicContact CG2-CD1 4.27Å; I158-L198 HydrophobicContact CD1-CD2 4.38Å
159N98.6Very high97.3Very high1 Ų146.5 Ų46.51%0.00524%0.241CC..Hα-helixtrans-60.3-54.9179.1-179.7-93.7000111.2R93 G155 M156 H161 S162 D163 N192R93-N159 PolarHBondContact NH2-ND2 2.76Å; R93-N159 PolarHBondContact NH2-OD1 3.14Å; G155-N159 WeakPolarHBondContact O-CB 3.41Å; G155-N159 PolarHBondContact O-N 3.41Å; M156-N159 PolarHBondContact O-N 2.87Å; N159-H161 PolarHBondContact O-N 2.86Å; N159-S162 PolarHBondContact O-N 3.38Å; N159-D163 WeakPolarHBondContact O-CB 3.43Å; N159-D163 PolarHBondContact O-N 3.32Å; N159-D163 PolarHBondContact OD1-OD2 3.45Å; N159-N192 PolarHBondContact ND2-O 3.25Å
160I98.5Very high96.7Very high59 Ų5947.3 Ų47.330%0.30324%0.242SC..Hα-helixtrans-61.4-45.2-178.9-64.9168.9000111.1Q92 M156 S162 D163 H164Q92-I160 HydrophobicContact CG-CD1 3.74Å; Q92-I160 HydrophobicContact CG-CG1 4.04Å; M156-I160 HydrophobicContact CE-CD1 3.8Å; M156-I160 HydrophobicContact CG-CD1 3.77Å; M156-I160 HydrophobicContact CG-CG1 4.4Å; M156-I160 WeakPolarHBondContact O-CB 3.36Å; M156-I160 VanDerWaalsContact O-CG1 3.26Å; M156-I160 WeakPolarHBondContact O-CG1 3.26Å; M156-I160 PolarHBondContact O-N 2.85Å; M156-I160 HydrophobicContact SD-CD1 4.45Å; I160-S162 VanDerWaalsContact C-N 3.34Å; I160-S162 PolarHBondContact O-N 3.4Å; I160-D163 PolarHBondContact O-N 3.44Å; I160-H164 WeakPolarHBondContact O-CB 3.31Å; I160-H164 PolarHBondContact O-N 3.49Å
161H98.4Very high96Very high95 Ų9548.9 Ų48.944%0.4424%0.244SC..Hα-helixtrans-61-44.7178.5179.473.7000111.5A157 N159 H164 I165A157-H161 WeakPolarHBondContact O-CB 3.5Å; A157-H161 PolarHBondContact O-N 3.06Å; N159-H161 PolarHBondContact O-N 2.86Å; H161-H164 WeakPolarHBondContact O-CB 3.49Å; H161-H164 PolarHBondContact O-N 3.27Å; H161-I165 WeakPolarHBondContact NE2-CD1 3.26Å; H161-I165 WeakPolarHBondContact O-CG1 3.43Å; H161-I165 PolarHBondContact O-N 3.25Å
162S98.2Very high94.9Very high0 Ų051.5 Ų51.50%027%0.265CS..Hα-helixtrans-67.5-42.2179.7-59.30000112I158 N159 I160 H164 I165 L166 F185 A191I158-S162 WeakPolarHBondContact O-CB 3.47Å; I158-S162 PolarHBondContact O-N 3.44Å; I158-S162 PolarHBondContact O-OG 3.15Å; N159-S162 PolarHBondContact O-N 3.38Å; I160-S162 VanDerWaalsContact C-N 3.34Å; I160-S162 PolarHBondContact O-N 3.4Å; S162-H164 VanDerWaalsContact C-N 3.31Å; S162-H164 PolarHBondContact O-N 3.1Å; S162-I165 WeakPolarHBondContact O-CB 3.38Å; S162-I165 PolarHBondContact O-N 3.21Å; S162-L166 WeakPolarHBondContact O-CG 3.47Å; S162-L166 PolarHBondContact O-N 3.42Å; S162-F185 WeakPolarHBondContact O-CE2 3.41Å; S162-A191 WeakPolarHBondContact OG-CB 3.24Å
163D97.1Very high93.6Very high4 Ų455.1 Ų55.12%0.02130%0.303CS..Hα-helixtrans-62.2-40.6173.9-81.8-18.5000111.1R93 Y97 N159 I160 I165 L166 L167 N192R93-D163 IonicContact CZ-OD2 2.7Å; R93-D163 IonicContact NH1-OD2 3.77Å; R93-D163 PolarHBondContact NH1-OD2 3.13Å; R93-D163 IonicContact NH2-OD2 2.82Å; Y97-D163 HydrophobicContact CD2-CB 4.05Å; Y97-D163 HydrophobicContact CE2-CB 3.93Å; N159-D163 WeakPolarHBondContact O-CB 3.43Å; N159-D163 PolarHBondContact O-N 3.32Å; N159-D163 PolarHBondContact OD1-OD2 3.45Å; I160-D163 PolarHBondContact O-N 3.44Å; D163-I165 VanDerWaalsContact C-N 3.35Å; D163-I165 PolarHBondContact O-N 2.87Å; D163-L166 PolarHBondContact O-N 3.37Å; D163-L166 VanDerWaalsContact O-N 3.14Å; D163-L167 WeakPolarHBondContact O-CB 3.3Å; D163-L167 WeakPolarHBondContact O-CG 3.34Å; D163-L167 PolarHBondContact O-N 3.36Å; D163-N192 WeakPolarHBondContact OD1-CB 3.49Å; D163-N192 PolarHBondContact OD1-ND2 3.18Å
164H96.6Very high92.8Very high103 Ų10352.9 Ų52.948%0.47729%0.294SS..Hα-helixtrans-60.2-43.3175.7-169.575.5000112.2I160 H161 S162 L166 L167 N168I160-H164 WeakPolarHBondContact O-CB 3.31Å; I160-H164 PolarHBondContact O-N 3.49Å; H161-H164 WeakPolarHBondContact O-CB 3.49Å; H161-H164 PolarHBondContact O-N 3.27Å; S162-H164 VanDerWaalsContact C-N 3.31Å; S162-H164 PolarHBondContact O-N 3.1Å; H164-L166 PolarHBondContact O-N 2.84Å; H164-L167 PolarHBondContact O-N 3.18Å; H164-N168 PolarHBondContact CD2-ND2 3.25Å; H164-N168 PolarHBondContact NE2-ND2 2.85Å; H164-N168 PolarHBondContact O-N 3.36Å; H164-N168 VanDerWaalsContact O-N 3.12Å; H164-N168 PolarHBondContact O-ND2 3.48Å
165I96.8Very high91.6Very high25 Ų2551.9 Ų51.913%0.12829%0.292CS..Hα-helixtrans-57.3-50.4172.3-69.5169.5000110.1H161 S162 D163 L167 N168 L169 P180 F185H161-I165 WeakPolarHBondContact NE2-CD1 3.26Å; H161-I165 WeakPolarHBondContact O-CG1 3.43Å; H161-I165 PolarHBondContact O-N 3.25Å; S162-I165 WeakPolarHBondContact O-CB 3.38Å; S162-I165 PolarHBondContact O-N 3.21Å; D163-I165 VanDerWaalsContact C-N 3.35Å; D163-I165 PolarHBondContact O-N 2.87Å; I165-L167 VanDerWaalsContact C-N 3.32Å; I165-L167 PolarHBondContact O-N 2.79Å; I165-N168 PolarHBondContact O-N 2.93Å; I165-N168 VanDerWaalsContact O-N 3.13Å; I165-L169 WeakPolarHBondContact O-CG 3.47Å; I165-L169 PolarHBondContact O-N 3.48Å; I165-P180 HydrophobicContact CG2-CB 4.34Å; I165-F185 HydrophobicContact CB-CD2 4.31Å; I165-F185 HydrophobicContact CB-CE2 4.03Å; I165-F185 HydrophobicContact CD1-CD2 4.04Å; I165-F185 HydrophobicContact CD1-CE2 4.41Å; I165-F185 HydrophobicContact CG2-CD2 3.95Å; I165-F185 HydrophobicContact CG2-CE2 3.93Å
166L95Very high90.9Very high39 Ų3956 Ų5620%0.20432%0.316CS..Hα-helixtrans-60.9-39.3-178.9-68.8176.2000112.9S162 D163 H164 N168 L169 P180 F185S162-L166 WeakPolarHBondContact O-CG 3.47Å; S162-L166 PolarHBondContact O-N 3.42Å; D163-L166 PolarHBondContact O-N 3.37Å; D163-L166 VanDerWaalsContact O-N 3.14Å; H164-L166 PolarHBondContact O-N 2.84Å; L166-N168 VanDerWaalsContact C-N 3.29Å; L166-N168 PolarHBondContact O-N 3.42Å; L166-L169 HydrophobicContact CD2-CD1 4.01Å; L166-L169 PolarHBondContact O-N 3.38Å; L166-P180 HydrophobicContact CD2-CB 4.09Å; L166-P180 HydrophobicContact CD2-CG 4.45Å; L166-F185 HydrophobicContact CD1-CZ 3.9Å; L166-F185 HydrophobicContact CD2-CE1 4.23Å; L166-F185 HydrophobicContact CD2-CE2 4.27Å; L166-F185 HydrophobicContact CD2-CZ 3.65Å; L166-F185 HydrophobicContact CG-CE2 4.09Å; L166-F185 HydrophobicContact CG-CZ 3.6Å
167L92.7Very high90.3Very high20 Ų2056 Ų5611%0.10532%0.316CS..Hα-helixtrans-66.1-31.6177.5-69.3173.3000112.5Y97 L100 K102 D163 H164 I165Y97-L167 HydrophobicContact CD2-CD1 4.33Å; Y97-L167 HydrophobicContact CE2-CD1 4.44Å; L100-L167 HydrophobicContact CB-CD1 4.01Å; K102-L167 PolarHBondContact NZ-O 3.03Å; D163-L167 WeakPolarHBondContact O-CB 3.3Å; D163-L167 WeakPolarHBondContact O-CG 3.34Å; D163-L167 PolarHBondContact O-N 3.36Å; H164-L167 PolarHBondContact O-N 3.18Å; I165-L167 VanDerWaalsContact C-N 3.32Å; I165-L167 PolarHBondContact O-N 2.79Å
168N93.3Very high90Very high98 Ų9857.1 Ų57.152%0.52431%0.31SS..Hα-helixtrans-83.1-14179.1-70.3-27.6000113.6H164 I165 L166 R170H164-N168 PolarHBondContact CD2-ND2 3.25Å; H164-N168 PolarHBondContact NE2-ND2 2.85Å; H164-N168 PolarHBondContact O-N 3.36Å; H164-N168 VanDerWaalsContact O-N 3.12Å; H164-N168 PolarHBondContact O-ND2 3.48Å; I165-N168 PolarHBondContact O-N 2.93Å; I165-N168 VanDerWaalsContact O-N 3.13Å; L166-N168 VanDerWaalsContact C-N 3.29Å; L166-N168 PolarHBondContact O-N 3.42Å; N168-R170 PolarHBondContact O-N 3.49Å
169L91.6Very high89.9Confident38 Ų3856.7 Ų56.720%0.19931%0.308CS..THydrogen-bonded Turntrans-67-21.5173-67.7174.2000113.2I165 L166 K178 P180I165-L169 WeakPolarHBondContact O-CG 3.47Å; I165-L169 PolarHBondContact O-N 3.48Å; L166-L169 HydrophobicContact CD2-CD1 4.01Å; L166-L169 PolarHBondContact O-N 3.38Å; L169-K178 HydrophobicContact CD2-CB 4.33Å; L169-K178 WeakPolarHBondContact O-CD 3.14Å; L169-K178 PolarHBondContact O-NZ 2.87Å; L169-P180 HydrophobicContact CD1-CB 3.89Å
170R86.8Confident89.7Confident42 Ų4256.6 Ų56.616%0.15831%0.307CS..SBendtrans-113.4131.9-176.6-65.3-178.5-179169.32.6112.3K102 N168 Y177K102-R170 HydrophobicContact CD-CB 4.32Å; K102-R170 WeakPolarHBondContact CD-O 3.33Å; K102-R170 PolarHBondContact NZ-O 3.49Å; K102-R170 PolarHBondContact O-NH1 3.24Å; N168-R170 PolarHBondContact O-N 3.49Å; R170-Y177 PolarHBondContact NH2-OH 3.02Å
171K82.9Confident89.6Confident155 Ų15560.4 Ų60.467%0.67432%0.322SS*.  trans-72.1153.8160.3-64.1-177.2-179.8-178.60109.9G173 E174K171-G173 PolarHBondContact O-N 2.69Å; K171-E174 HydrophobicContact CB-CB 4.22Å; K171-E174 PolarHBondContact N-OE2 3.16Å; K171-E174 VanDerWaalsContact O-CB 3.24Å; K171-E174 WeakPolarHBondContact O-CB 3.45Å; K171-E174 PolarHBondContact O-N 3.48Å
172P75.8Confident89.4Confident115 Ų11557.1 Ų57.175%0.74731%0.314SS*.THydrogen-bonded Turntrans-52.8127.9173.2-25.335000111.2E174P172-E174 VanDerWaalsContact C-N 3.3Å; P172-E174 PolarHBondContact O-N 2.98Å
173G72.3Confident89.4Confident78 Ų7859.1 Ų59.180%0.80433%0.334SS*.THydrogen-bonded Turntrans82.7-7.4-176.500000115.6K171K171-G173 PolarHBondContact O-N 2.69Å
174E80.6Confident89.4Confident47 Ų4760.6 Ų60.622%0.2234%0.341CS..  trans-79129.6178.7-168.6-178.1-178.100111.5K171 P172 V176 K178K171-E174 HydrophobicContact CB-CB 4.22Å; K171-E174 PolarHBondContact N-OE2 3.16Å; K171-E174 VanDerWaalsContact O-CB 3.24Å; K171-E174 WeakPolarHBondContact O-CB 3.45Å; K171-E174 PolarHBondContact O-N 3.48Å; P172-E174 VanDerWaalsContact C-N 3.3Å; P172-E174 PolarHBondContact O-N 2.98Å; E174-V176 HydrophobicContact CG-CB 4.13Å; E174-V176 HydrophobicContact CG-CG2 4.26Å; E174-K178 WeakPolarHBondContact OE1-CE 3.34Å; E174-K178 IonicContact OE1-NZ 3.5Å; E174-K178 PolarHBondContact OE1-NZ 3.02Å; E174-K178 IonicContact OE2-NZ 3.03Å; E174-K178 PolarHBondContact OE2-NZ 2.76Å
175V73.5Confident89.4Confident71 Ų7155.7 Ų55.743%0.4332%0.319SS..  trans-109.80.8-176.3-174.70000112.4R104R104-V175 HydrophobicContact CG-CG1 4.13Å
176V83.4Confident89.4Confident85 Ų8558.5 Ų58.552%0.51533%0.331SS..  trans-74140-179.3-176.60000110.6E174E174-V176 HydrophobicContact CG-CB 4.13Å; E174-V176 HydrophobicContact CG-CG2 4.26Å
177Y87.3Confident89.6Confident17 Ų1762.2 Ų62.27%0.06734%0.343CS..  trans-93.4138.9173.3-70.6-83.6000109.5G34 R35 R170 Y233 F238G34-Y177 PolarHBondContact O-OH 3.3Å; R35-Y177 WeakPolarHBondContact CA-OH 3.44Å; R35-Y177 HydrophobicContact CB-CE1 4.45Å; R35-Y177 HydrophobicContact CG-CD1 3.79Å; R35-Y177 HydrophobicContact CG-CD2 4.38Å; R35-Y177 HydrophobicContact CG-CE1 3.06Å; R35-Y177 HydrophobicContact CG-CE2 3.77Å; R35-Y177 HydrophobicContact CG-CG 4.41Å; R35-Y177 VanDerWaalsContact CG-OH 3.23Å; R35-Y177 WeakPolarHBondContact CG-OH 3.48Å; R35-Y177 PolarHBondContact N-OH 3.33Å; R170-Y177 PolarHBondContact NH2-OH 3.02Å; Y177-Y233 HydrophobicContact CG-CE1 4.37Å; Y177-F238 VanDerWaalsContact O-CZ 3.3Å; Y177-F238 WeakPolarHBondContact O-CZ 3.43Å
178K92.4Very high89.8Confident79 Ų7961.2 Ų61.234%0.34334%0.338SS..  trans-127.3159.3177.2-62.3175.9-171151.40109.5L169 E174 P180L169-K178 HydrophobicContact CD2-CB 4.33Å; L169-K178 WeakPolarHBondContact O-CD 3.14Å; L169-K178 PolarHBondContact O-NZ 2.87Å; E174-K178 WeakPolarHBondContact OE1-CE 3.34Å; E174-K178 IonicContact OE1-NZ 3.5Å; E174-K178 PolarHBondContact OE1-NZ 3.02Å; E174-K178 IonicContact OE2-NZ 3.03Å; E174-K178 PolarHBondContact OE2-NZ 2.76Å; K178-P180 WeakPolarHBondContact O-CD 3.23Å
179I95.1Very high90Very high19 Ų1956.7 Ų56.710%0.09731%0.314CS..  trans-72.2120.1173.6-58.5173.7000108.6F238 D240 Y241I179-F238 HydrophobicContact CD1-CB 3.8Å; I179-F238 HydrophobicContact CD1-CD1 4.11Å; I179-F238 HydrophobicContact CD1-CG 3.93Å; I179-F238 HydrophobicContact CG1-CB 4.11Å; I179-F238 HydrophobicContact CG1-CD1 3.86Å; I179-F238 HydrophobicContact CG1-CD2 3.97Å; I179-F238 HydrophobicContact CG1-CE1 4.24Å; I179-F238 HydrophobicContact CG1-CE2 4.34Å; I179-F238 HydrophobicContact CG1-CG 3.71Å; I179-F238 HydrophobicContact CG1-CZ 4.46Å; I179-D240 WeakPolarHBondContact CD1-OD1 3.28Å; I179-Y241 HydrophobicContact CD1-CD2 4.16Å; I179-Y241 HydrophobicContact CG1-CD2 4.14Å; I179-Y241 HydrophobicContact CG2-CD2 4.07Å; I179-Y241 HydrophobicContact CG2-CE2 4.05Å
180P95.6Very high90.3Very high0 Ų054.9 Ų54.90%031%0.305CS..  trans-69139.6173.728.7-33.4000110.6I165 L166 L169 K178 F185 Y234 R245I165-P180 HydrophobicContact CG2-CB 4.34Å; L166-P180 HydrophobicContact CD2-CB 4.09Å; L166-P180 HydrophobicContact CD2-CG 4.45Å; L169-P180 HydrophobicContact CD1-CB 3.89Å; K178-P180 WeakPolarHBondContact O-CD 3.23Å; P180-F185 HydrophobicContact CB-CB 4.19Å; P180-F185 HydrophobicContact CB-CD1 3.68Å; P180-F185 HydrophobicContact CB-CD2 3.76Å; P180-F185 HydrophobicContact CB-CE1 3.9Å; P180-F185 HydrophobicContact CB-CE2 3.98Å; P180-F185 HydrophobicContact CB-CG 3.61Å; P180-F185 HydrophobicContact CB-CZ 4.06Å; P180-F185 HydrophobicContact CG-CB 4.39Å; P180-F185 HydrophobicContact CG-CD1 3.44Å; P180-F185 VanDerWaalsContact CG-CD1 3.44Å; P180-F185 HydrophobicContact CG-CD2 4.46Å; P180-F185 HydrophobicContact CG-CE1 3.7Å; P180-F185 HydrophobicContact CG-CG 3.86Å; P180-F185 HydrophobicContact CG-CZ 4.33Å; P180-Y234 WeakPolarHBondContact CD-OH 3.06Å; P180-R245 PolarHBondContact O-NH1 3.03Å; P180-R245 PolarHBondContact O-NH2 3.42Å; P180-R245 VanDerWaalsContact O-NH2 3.15Å
181K95.3Very high90.8Very high138 Ų13852.9 Ų52.960%0.630%0.297SS*.  trans-132.6153177.3-61.8-174.5-179.3-176.40109.6
182G95.6Very high91.5Very high27 Ų2746.2 Ų46.228%0.27827%0.269SS..SBendtrans93.4155.5-178.500000114.1M184 F185 E186G182-M184 PolarHBondContact O-N 2.6Å; G182-F185 WeakPolarHBondContact O-CB 3.47Å; G182-F185 PolarHBondContact O-N 2.99Å; G182-E186 PolarHBondContact N-OE1 3.08Å
183G96.8Very high92.6Very high41 Ų4141.3 Ų41.342%0.42324%0.236SC..G310 helixtrans55.7-136.217700000112.7F185 E186G183-F185 PolarHBondContact O-N 3.04Å; G183-E186 PolarHBondContact O-N 3.14Å
184M97.3Very high93.8Very high35 Ų3539.7 Ų39.717%0.17221%0.207CC..G310 helixtrans-71.1-14-175.7-161.364.8-160.700113.5I158 G182 E186 Y187 V188 A191 F194 P250I158-M184 HydrophobicContact CG2-CB 4.03Å; I158-M184 HydrophobicContact CG2-CG 4.12Å; G182-M184 PolarHBondContact O-N 2.6Å; M184-E186 PolarHBondContact O-N 3.25Å; M184-Y187 HydrophobicContact CE-CD2 4.05Å; M184-Y187 HydrophobicContact CE-CG 4.29Å; M184-Y187 PolarHBondContact O-N 3.25Å; M184-Y187 VanDerWaalsContact O-N 3.14Å; M184-Y187 HydrophobicContact SD-CD2 3.88Å; M184-V188 HydrophobicContact CE-CG2 4.45Å; M184-V188 HydrophobicContact CG-CG2 4.07Å; M184-V188 PolarHBondContact O-N 3.33Å; M184-V188 VanDerWaalsContact O-N 3.16Å; M184-A191 HydrophobicContact CB-CB 3.88Å; M184-A191 HydrophobicContact CG-CB 4.26Å; M184-F194 HydrophobicContact CE-CD1 4.18Å; M184-F194 HydrophobicContact CE-CE1 4.02Å; M184-F194 HydrophobicContact CG-CD1 4.15Å; M184-P250 HydrophobicContact CE-CB 4.08Å; M184-P250 HydrophobicContact CE-CG 3.11Å
185F97.9Very high94.7Very high1 Ų137.4 Ų37.40%0.00420%0.196CC..G310 helixtrans-65.7-18.1174.4-74.1-69.1000113.6S162 I165 L166 P180 G182 G183 Y187 V188 S189 A191 R245S162-F185 WeakPolarHBondContact O-CE2 3.41Å; I165-F185 HydrophobicContact CB-CD2 4.31Å; I165-F185 HydrophobicContact CB-CE2 4.03Å; I165-F185 HydrophobicContact CD1-CD2 4.04Å; I165-F185 HydrophobicContact CD1-CE2 4.41Å; I165-F185 HydrophobicContact CG2-CD2 3.95Å; I165-F185 HydrophobicContact CG2-CE2 3.93Å; L166-F185 HydrophobicContact CD1-CZ 3.9Å; L166-F185 HydrophobicContact CD2-CE1 4.23Å; L166-F185 HydrophobicContact CD2-CE2 4.27Å; L166-F185 HydrophobicContact CD2-CZ 3.65Å; L166-F185 HydrophobicContact CG-CE2 4.09Å; L166-F185 HydrophobicContact CG-CZ 3.6Å; P180-F185 HydrophobicContact CB-CB 4.19Å; P180-F185 HydrophobicContact CB-CD1 3.68Å; P180-F185 HydrophobicContact CB-CD2 3.76Å; P180-F185 HydrophobicContact CB-CE1 3.9Å; P180-F185 HydrophobicContact CB-CE2 3.98Å; P180-F185 HydrophobicContact CB-CG 3.61Å; P180-F185 HydrophobicContact CB-CZ 4.06Å; P180-F185 HydrophobicContact CG-CB 4.39Å; P180-F185 HydrophobicContact CG-CD1 3.44Å; P180-F185 VanDerWaalsContact CG-CD1 3.44Å; P180-F185 HydrophobicContact CG-CD2 4.46Å; P180-F185 HydrophobicContact CG-CE1 3.7Å; P180-F185 HydrophobicContact CG-CG 3.86Å; P180-F185 HydrophobicContact CG-CZ 4.33Å; G182-F185 WeakPolarHBondContact O-CB 3.47Å; G182-F185 PolarHBondContact O-N 2.99Å; G183-F185 PolarHBondContact O-N 3.04Å; F185-Y187 PolarHBondContact O-N 3.5Å; F185-V188 WeakPolarHBondContact CA-O 3.34Å; F185-S189 VanDerWaalsContact CE1-O 3.28Å; F185-S189 WeakPolarHBondContact CE1-O 3.37Å; F185-A191 HydrophobicContact CD1-CB 3.54Å; F185-A191 HydrophobicContact CD2-CB 4.02Å; F185-A191 HydrophobicContact CE1-CB 3.56Å; F185-A191 HydrophobicContact CE2-CB 4.03Å; F185-A191 HydrophobicContact CG-CB 3.77Å; F185-A191 HydrophobicContact CZ-CB 3.8Å; F185-R245 VanDerWaalsContact O-CD 3.25Å; F185-R245 WeakPolarHBondContact O-CD 3.26Å; F185-R245 PolarHBondContact O-NE 3.45Å; F185-R245 PolarHBondContact O-NH1 3.26Å; F185-R245 PolarHBondContact O-NH2 3.38Å
186E97Very high95.9Very high84 Ų8435.4 Ų35.439%0.39318%0.182SC..G310 helixtrans-67.8-21174.7-61.2-49.9147.900113.3G182 G183 M184 R245G182-E186 PolarHBondContact N-OE1 3.08Å; G183-E186 PolarHBondContact O-N 3.14Å; M184-E186 PolarHBondContact O-N 3.25Å; E186-R245 IonicContact OE1-NH2 3.97Å; E186-R245 IonicContact OE2-CZ 3.39Å; E186-R245 IonicContact OE2-NH2 3.7Å; E186-R245 PolarHBondContact OE2-NH2 3.28Å
187Y97.6Very high96.6Very high116 Ų11632.4 Ų32.446%0.45516%0.163SC..THydrogen-bonded Turntrans-105.8-38.3179.8-53.9-78.9000112.5M184 F185 R245 K246 F251M184-Y187 HydrophobicContact CE-CD2 4.05Å; M184-Y187 HydrophobicContact CE-CG 4.29Å; M184-Y187 PolarHBondContact O-N 3.25Å; M184-Y187 VanDerWaalsContact O-N 3.14Å; M184-Y187 HydrophobicContact SD-CD2 3.88Å; F185-Y187 PolarHBondContact O-N 3.5Å; Y187-R245 CarbonylContact O-C 3.39Å; Y187-R245 WeakPolarHBondContact O-CA 3.16Å; Y187-K246 PolarHBondContact O-N 3.49Å; Y187-F251 AromaticContact CD1-CE1 3.98Å; Y187-F251 HydrophobicContact CD1-CE1 3.98Å; Y187-F251 HydrophobicContact CD1-CE2 4.43Å; Y187-F251 AromaticContact CD1-CZ 3.59Å; Y187-F251 HydrophobicContact CD1-CZ 3.59Å; Y187-F251 HydrophobicContact CE1-CE1 4.39Å; Y187-F251 AromaticContact CE1-CZ 3.83Å; Y187-F251 HydrophobicContact CE1-CZ 3.83Å
188V98.1Very high97.1Very high0 Ų033.2 Ų33.20%017%0.168CC..BIsolated β-bridgetrans-137147.7-172.2-61.10000113.4M184 F185 A191 F194 K246 P250M184-V188 HydrophobicContact CE-CG2 4.45Å; M184-V188 HydrophobicContact CG-CG2 4.07Å; M184-V188 PolarHBondContact O-N 3.33Å; M184-V188 VanDerWaalsContact O-N 3.16Å; F185-V188 WeakPolarHBondContact CA-O 3.34Å; V188-A191 HydrophobicContact CG2-CB 4.1Å; V188-F194 HydrophobicContact CG2-CB 4.43Å; V188-K246 CarbonylContact C-O 3.58Å; V188-K246 WeakPolarHBondContact CA-O 3.47Å; V188-K246 HydrophobicContact CG1-CB 4.25Å; V188-P250 HydrophobicContact CG1-CB 4.34Å; V188-P250 HydrophobicContact CG1-CG 3.91Å
189S97.6Very high97.4Very high3 Ų329.5 Ų29.52%0.02115%0.152CC..THydrogen-bonded Turntrans-72.7-35.8178.4-54.60000113.7F185 H231 Y241 K246 A247F185-S189 VanDerWaalsContact CE1-O 3.28Å; F185-S189 WeakPolarHBondContact CE1-O 3.37Å; S189-H231 PolarHBondContact OG-ND1 3.24Å; S189-Y241 WeakPolarHBondContact CB-OH 3.45Å; S189-Y241 PolarHBondContact OG-OH 3.28Å; S189-K246 PolarHBondContact N-O 3.49Å; S189-K246 PolarHBondContact OG-O 3.37Å; S189-A247 PolarHBondContact N-O 3.35Å
190G97.1Very high97.6Very high0 Ų028.7 Ų28.70%015%0.148CC..THydrogen-bonded Turntrans-101.851.4179.900000111.7N192 F193 F194 A247G190-N192 VanDerWaalsContact C-N 3.3Å; G190-N192 PolarHBondContact O-N 3.16Å; G190-F193 WeakPolarHBondContact O-CA 3.49Å; G190-F193 WeakPolarHBondContact O-CB 3.36Å; G190-F193 PolarHBondContact O-N 3.06Å; G190-F194 PolarHBondContact O-N 3.04Å; G190-A247 PolarHBondContact N-O 3.43Å
191A98.1Very high97.7Very high0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-56.2-40.2-176.200000113.9S162 M184 F185 V188 F194 G195S162-A191 WeakPolarHBondContact OG-CB 3.24Å; M184-A191 HydrophobicContact CB-CB 3.88Å; M184-A191 HydrophobicContact CG-CB 4.26Å; F185-A191 HydrophobicContact CD1-CB 3.54Å; F185-A191 HydrophobicContact CD2-CB 4.02Å; F185-A191 HydrophobicContact CE1-CB 3.56Å; F185-A191 HydrophobicContact CE2-CB 4.03Å; F185-A191 HydrophobicContact CG-CB 3.77Å; F185-A191 HydrophobicContact CZ-CB 3.8Å; V188-A191 HydrophobicContact CG2-CB 4.1Å; A191-F194 PolarHBondContact O-N 2.98Å; A191-G195 PolarHBondContact O-N 2.86Å; A191-G195 VanDerWaalsContact O-N 3.1Å
192N97.9Very high97.9Very high14 Ų1424 Ų248%0.07513%0.132CC..Hα-helixtrans-65.1-40.7174.760.9-29.1000111.8N159 D163 G190 G195 E196N159-N192 PolarHBondContact ND2-O 3.25Å; D163-N192 WeakPolarHBondContact OD1-CB 3.49Å; D163-N192 PolarHBondContact OD1-ND2 3.18Å; G190-N192 VanDerWaalsContact C-N 3.3Å; G190-N192 PolarHBondContact O-N 3.16Å; N192-G195 PolarHBondContact O-N 3.38Å; N192-E196 PolarHBondContact O-N 3.26Å
193F97.9Very high98Very high13 Ų1322.8 Ų22.86%0.05712%0.119CC..Hα-helixtrans-66.4-38.3176.2-56.3-39.7000112.6G190 E196 I197 I223 R226 A227 H230G190-F193 WeakPolarHBondContact O-CA 3.49Å; G190-F193 WeakPolarHBondContact O-CB 3.36Å; G190-F193 PolarHBondContact O-N 3.06Å; F193-E196 PolarHBondContact O-N 2.81Å; F193-I197 VanDerWaalsContact O-CG1 3.29Å; F193-I197 WeakPolarHBondContact O-CG1 3.32Å; F193-I197 PolarHBondContact O-N 3.42Å; F193-I223 HydrophobicContact CB-CB 4.28Å; F193-I223 HydrophobicContact CB-CD1 3.96Å; F193-I223 HydrophobicContact CB-CG1 3.99Å; F193-I223 HydrophobicContact CD1-CB 3.89Å; F193-I223 HydrophobicContact CD1-CD1 4.06Å; F193-I223 HydrophobicContact CD1-CG1 4.31Å; F193-I223 HydrophobicContact CD1-CG2 4.38Å; F193-I223 HydrophobicContact CE1-CB 4.46Å; F193-I223 HydrophobicContact CG-CB 4.11Å; F193-I223 HydrophobicContact CG-CD1 4.39Å; F193-I223 HydrophobicContact CG-CG1 4.36Å; F193-R226 HydrophobicContact CE2-CB 4.46Å; F193-R226 HydrophobicContact CE2-CG 4.08Å; F193-R226 HydrophobicContact CZ-CG 4.14Å; F193-A227 HydrophobicContact CB-CB 4.42Å; F193-A227 HydrophobicContact CD2-CB 3.74Å; F193-H230 AromaticContact CE2-CD2 3.75Å; F193-H230 AromaticContact CE2-NE2 3.99Å
194F98.3Very high98.1Very high43 Ų4321.4 Ų21.419%0.18910%0.104CC..Hα-helixtrans-59.2-47.6173173-104.5000111.4I158 M184 V188 G190 A191 E196 I197 L198 V248 P250I158-F194 HydrophobicContact CD1-CD1 4.42Å; I158-F194 HydrophobicContact CD1-CE1 4.06Å; I158-F194 HydrophobicContact CG2-CD1 4.27Å; M184-F194 HydrophobicContact CE-CD1 4.18Å; M184-F194 HydrophobicContact CE-CE1 4.02Å; M184-F194 HydrophobicContact CG-CD1 4.15Å; V188-F194 HydrophobicContact CG2-CB 4.43Å; G190-F194 PolarHBondContact O-N 3.04Å; A191-F194 PolarHBondContact O-N 2.98Å; F194-E196 VanDerWaalsContact C-N 3.34Å; F194-E196 PolarHBondContact O-N 2.89Å; F194-I197 PolarHBondContact O-N 3.42Å; F194-L198 HydrophobicContact CE1-CD2 4.48Å; F194-L198 WeakPolarHBondContact O-CB 3.25Å; F194-L198 PolarHBondContact O-N 3.47Å; F194-V248 HydrophobicContact CB-CG2 4.13Å; F194-V248 WeakPolarHBondContact CB-O 3.28Å; F194-V248 WeakPolarHBondContact CD2-O 3.16Å; F194-P250 HydrophobicContact CE2-CG 4.44Å; F194-P250 HydrophobicContact CZ-CG 4.41Å
195G98.4Very high98.1Very high0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-57.2-46.2176.500000112.3G155 A191 N192 L198 E199G155-G195 CarbonylContact C-O 3.28Å; G155-G195 VanDerWaalsContact C-O 3.26Å; G155-G195 WeakPolarHBondContact CA-O 3.39Å; G155-G195 CarbonylContact O-C 3.4Å; G155-G195 VanDerWaalsContact O-CA 3.26Å; G155-G195 WeakPolarHBondContact O-CA 3.09Å; A191-G195 PolarHBondContact O-N 2.86Å; A191-G195 VanDerWaalsContact O-N 3.1Å; N192-G195 PolarHBondContact O-N 3.38Å; G195-L198 PolarHBondContact O-N 3.28Å; G195-E199 VanDerWaalsContact O-CB 3.29Å; G195-E199 WeakPolarHBondContact O-CB 3.4Å; G195-E199 PolarHBondContact O-N 3.39Å
196E98.6Very high98.1Very high28 Ų2821.8 Ų21.813%0.13111%0.106CC..Hα-helixtrans-69-36.2-179.1-165.5157.3-144.300113H89 R93 N192 F193 F194 E199 W200 T219 I223H89-E196 IonicContact CE1-OE1 3.74Å; H89-E196 IonicContact NE2-OE1 2.73Å; R93-E196 IonicContact CZ-OE1 3.77Å; R93-E196 IonicContact NE-OE1 3.81Å; R93-E196 IonicContact NH2-OE1 2.92Å; R93-E196 PolarHBondContact NH2-OE1 2.86Å; R93-E196 IonicContact NH2-OE2 3.31Å; N192-E196 PolarHBondContact O-N 3.26Å; F193-E196 PolarHBondContact O-N 2.81Å; F194-E196 VanDerWaalsContact C-N 3.34Å; F194-E196 PolarHBondContact O-N 2.89Å; E196-E199 WeakPolarHBondContact O-CB 3.19Å; E196-E199 PolarHBondContact O-N 2.78Å; E196-W200 PolarHBondContact O-N 3.47Å; E196-W200 VanDerWaalsContact O-N 3.1Å; E196-T219 HydrophobicContact CG-CG2 4.24Å; E196-I223 HydrophobicContact CB-CD1 3.82Å; E196-I223 HydrophobicContact CG-CD1 3.99Å
197I98.4Very high98Very high23 Ų2317.9 Ų17.912%0.1189%0.088CC..Hα-helixtrans-63.3-48.2171.9-69.6168000110.2F193 F194 E199 W200 C201 M220 I223 V248F193-I197 VanDerWaalsContact O-CG1 3.29Å; F193-I197 WeakPolarHBondContact O-CG1 3.32Å; F193-I197 PolarHBondContact O-N 3.42Å; F194-I197 PolarHBondContact O-N 3.42Å; I197-E199 VanDerWaalsContact C-N 3.26Å; I197-E199 PolarHBondContact O-N 3.34Å; I197-W200 PolarHBondContact O-N 3.38Å; I197-C201 WeakPolarHBondContact O-CB 3.26Å; I197-C201 PolarHBondContact O-N 3.08Å; I197-C201 PolarHBondContact O-SG 3Å; I197-M220 HydrophobicContact CD1-CG 4.38Å; I197-M220 HydrophobicContact CG2-CB 4.45Å; I197-M220 HydrophobicContact CG2-CE 3.88Å; I197-M220 HydrophobicContact CG2-CG 4.3Å; I197-I223 HydrophobicContact CD1-CG1 4.02Å; I197-I223 HydrophobicContact CG1-CD1 3.95Å; I197-I223 HydrophobicContact CG1-CG1 3.89Å; I197-V248 HydrophobicContact CD1-CG2 3.99Å
198L98.6Very high97.9Very high34 Ų3419.8 Ų19.818%0.1789%0.094CC..Hα-helixtrans-60.1-40.4178.5-179.662.4000111.3M151 L154 I158 F194 G195 G202M151-L198 HydrophobicContact CB-CD1 4.26Å; M151-L198 HydrophobicContact CE-CD1 3.7Å; M151-L198 HydrophobicContact CG-CD1 4.32Å; L154-L198 HydrophobicContact CD2-CD2 4.21Å; L154-L198 HydrophobicContact CG-CD2 4.18Å; I158-L198 HydrophobicContact CD1-CD2 4.38Å; F194-L198 HydrophobicContact CE1-CD2 4.48Å; F194-L198 WeakPolarHBondContact O-CB 3.25Å; F194-L198 PolarHBondContact O-N 3.47Å; G195-L198 PolarHBondContact O-N 3.28Å; L198-G202 PolarHBondContact O-N 3.49Å
199E98.6Very high97.8Very high0 Ų020.3 Ų20.30%010%0.098CC..Hα-helixtrans-57.8-55.7178.1-178173.4-17200111.1H89 F152 M156 G195 E196 I197 C201 G202 Y203H89-E199 IonicContact CE1-OE1 3.43Å; H89-E199 IonicContact CE1-OE2 2.66Å; H89-E199 IonicContact CG-OE1 3.68Å; H89-E199 IonicContact ND1-OE1 3.84Å; H89-E199 PolarHBondContact ND1-OE1 3.24Å; H89-E199 IonicContact ND1-OE2 3.74Å; H89-E199 PolarHBondContact ND1-OE2 3.23Å; F152-E199 HydrophobicContact CD1-CG 4.35Å; F152-E199 HydrophobicContact CD2-CG 3.46Å; F152-E199 VanDerWaalsContact CD2-CG 3.46Å; F152-E199 VanDerWaalsContact CD2-O 3.28Å; F152-E199 WeakPolarHBondContact CD2-O 3.47Å; F152-E199 HydrophobicContact CE1-CG 4.23Å; F152-E199 HydrophobicContact CE2-CG 3.36Å; F152-E199 HydrophobicContact CG-CG 3.99Å; F152-E199 HydrophobicContact CZ-CG 3.78Å; F152-E199 WeakPolarHBondContact CZ-OE1 3.41Å; M156-E199 HydrophobicContact CB-CG 4.29Å; M156-E199 WeakPolarHBondContact CB-OE1 3.29Å; M156-E199 WeakPolarHBondContact CG-OE1 3.5Å; G195-E199 VanDerWaalsContact O-CB 3.29Å; G195-E199 WeakPolarHBondContact O-CB 3.4Å; G195-E199 PolarHBondContact O-N 3.39Å; E196-E199 WeakPolarHBondContact O-CB 3.19Å; E196-E199 PolarHBondContact O-N 2.78Å; I197-E199 VanDerWaalsContact C-N 3.26Å; I197-E199 PolarHBondContact O-N 3.34Å; E199-C201 PolarHBondContact O-N 3.22Å; E199-G202 WeakPolarHBondContact O-CA 3.44Å; E199-G202 PolarHBondContact O-N 2.83Å; E199-G202 VanDerWaalsContact O-N 3.15Å; E199-Y203 PolarHBondContact O-N 2.95Å
200W98.6Very high97.8Very high3 Ų322.9 Ų22.91%0.01111%0.111CC..Hα-helixtrans-71.9-30.7-177.8-64.7118.4000113.8F86 H89 Y90 F152 E196 I197 G202 Y203 A204 F215 A216 T219F86-W200 AromaticContact CD2-CH2 3.69Å; F86-W200 HydrophobicContact CD2-CH2 3.69Å; F86-W200 AromaticContact CD2-CZ3 3.58Å; F86-W200 HydrophobicContact CD2-CZ3 3.58Å; F86-W200 AromaticContact CE2-CH2 3.79Å; F86-W200 HydrophobicContact CE2-CH2 3.79Å; F86-W200 AromaticContact CE2-CZ3 3.89Å; F86-W200 HydrophobicContact CE2-CZ3 3.89Å; H89-W200 HydrophobicContact CB-CH2 4.18Å; H89-W200 HydrophobicContact CB-CZ2 4.41Å; H89-W200 AromaticContact CD2-CH2 3.93Å; H89-W200 AromaticContact CD2-CZ2 3.44Å; H89-W200 VanDerWaalsContact CD2-CZ2 3.44Å; H89-W200 WeakPolarHBondContact CD2-CZ2 3.47Å; H89-W200 AromaticContact CE1-CZ2 3.82Å; H89-W200 AromaticContact CG-CH2 3.94Å; H89-W200 AromaticContact CG-CZ2 3.68Å; H89-W200 AromaticContact ND1-CZ2 3.91Å; H89-W200 AromaticContact NE2-CZ2 3.57Å; Y90-W200 HydrophobicContact CD2-CH2 4.35Å; Y90-W200 AromaticContact CE2-CH2 3.81Å; Y90-W200 HydrophobicContact CE2-CH2 3.81Å; Y90-W200 AromaticContact CE2-CZ2 3.97Å; Y90-W200 HydrophobicContact CE2-CZ2 3.97Å; F152-W200 HydrophobicContact CE2-CE3 4.38Å; F152-W200 HydrophobicContact CE2-CZ3 4.12Å; E196-W200 PolarHBondContact O-N 3.47Å; E196-W200 VanDerWaalsContact O-N 3.1Å; I197-W200 PolarHBondContact O-N 3.38Å; W200-G202 VanDerWaalsContact C-N 3.33Å; W200-Y203 HydrophobicContact CE3-CD1 4.04Å; W200-Y203 HydrophobicContact CE3-CG 4.21Å; W200-Y203 HydrophobicContact CZ3-CD1 4.04Å; W200-Y203 HydrophobicContact CZ3-CG 4.25Å; W200-Y203 PolarHBondContact O-N 3.44Å; W200-A204 WeakPolarHBondContact O-CB 3.13Å; W200-A204 PolarHBondContact O-N 2.74Å; W200-F215 AromaticContact CD2-CD1 3.95Å; W200-F215 HydrophobicContact CD2-CD1 3.95Å; W200-F215 AromaticContact CD2-CE1 3.37Å; W200-F215 HydrophobicContact CD2-CE1 3.37Å; W200-F215 HydrophobicContact CD2-CZ 4.16Å; W200-F215 AromaticContact CE2-CE1 3.38Å; W200-F215 AromaticContact CE2-CZ 3.8Å; W200-F215 AromaticContact CE3-CD1 3.84Å; W200-F215 HydrophobicContact CE3-CD1 3.84Å; W200-F215 AromaticContact CE3-CE1 3.52Å; W200-F215 HydrophobicContact CE3-CE1 3.52Å; W200-F215 HydrophobicContact CG-CD1 4.44Å; W200-F215 HydrophobicContact CG-CE1 4.05Å; W200-F215 AromaticContact CH2-CE1 3.71Å; W200-F215 HydrophobicContact CH2-CE1 3.71Å; W200-F215 AromaticContact CZ2-CE1 3.53Å; W200-F215 HydrophobicContact CZ2-CE1 3.53Å; W200-F215 AromaticContact CZ2-CZ 3.96Å; W200-F215 HydrophobicContact CZ2-CZ 3.96Å; W200-F215 HydrophobicContact CZ3-CD1 4.23Å; W200-F215 AromaticContact CZ3-CE1 3.71Å; W200-F215 HydrophobicContact CZ3-CE1 3.71Å; W200-A216 HydrophobicContact CB-CB 4.04Å; W200-A216 WeakPolarHBondContact O-CB 3.28Å; W200-T219 HydrophobicContact CG-CG2 4.42Å
201C98.5Very high97.8Very high39 Ų3923.1 Ų23.126%0.26411%0.112SC..Hα-helixtrans-62.5-41.6168.9-73.80000111.4M151 I197 E199 A204 L205M151-C201 HydrophobicContact CE-CB 4.29Å; I197-C201 WeakPolarHBondContact O-CB 3.26Å; I197-C201 PolarHBondContact O-N 3.08Å; I197-C201 PolarHBondContact O-SG 3Å; E199-C201 PolarHBondContact O-N 3.22Å; C201-A204 PolarHBondContact O-N 3.41Å; C201-L205 WeakPolarHBondContact O-CB 3.5Å; C201-L205 PolarHBondContact O-N 2.93Å
202G98.5Very high97.7Very high0 Ų023.1 Ų23.10%011%0.113CC..Hα-helixtrans-61.5-44.2173.200000112.3G148 L198 E199 W200 A204 L205 A206G148-G202 CarbonylContact C-O 3.34Å; G148-G202 WeakPolarHBondContact CA-O 3.44Å; G148-G202 CarbonylContact O-C 3.55Å; G148-G202 VanDerWaalsContact O-C 3.28Å; G148-G202 VanDerWaalsContact O-CA 3.23Å; G148-G202 WeakPolarHBondContact O-CA 3.37Å; L198-G202 PolarHBondContact O-N 3.49Å; E199-G202 WeakPolarHBondContact O-CA 3.44Å; E199-G202 PolarHBondContact O-N 2.83Å; E199-G202 VanDerWaalsContact O-N 3.15Å; W200-G202 VanDerWaalsContact C-N 3.33Å; G202-A204 PolarHBondContact O-N 2.9Å; G202-L205 PolarHBondContact O-N 2.89Å; G202-A206 WeakPolarHBondContact O-CB 3.43Å; G202-A206 PolarHBondContact O-N 3.05Å
203Y98.4Very high97.7Very high2 Ų227.4 Ų27.41%0.00813%0.131CC..Hα-helixtrans-60.7-45175.3-166.6-119.2000112.3L82 T85 F86 F152 E199 W200 L205 A206 T207 T212L82-Y203 HydrophobicContact CB-CE2 4.32Å; L82-Y203 HydrophobicContact CD2-CE2 4.35Å; L82-Y203 WeakPolarHBondContact O-CE2 3.04Å; L82-Y203 PolarHBondContact O-OH 3.14Å; T85-Y203 HydrophobicContact CG2-CD2 4.38Å; F86-Y203 HydrophobicContact CB-CE2 4.33Å; F86-Y203 HydrophobicContact CD2-CE1 4.01Å; F152-Y203 HydrophobicContact CD2-CD2 4.29Å; F152-Y203 HydrophobicContact CD2-CG 4.42Å; F152-Y203 HydrophobicContact CE2-CD2 4.29Å; F152-Y203 HydrophobicContact CE2-CG 4.43Å; E199-Y203 PolarHBondContact O-N 2.95Å; W200-Y203 HydrophobicContact CE3-CD1 4.04Å; W200-Y203 HydrophobicContact CE3-CG 4.21Å; W200-Y203 HydrophobicContact CZ3-CD1 4.04Å; W200-Y203 HydrophobicContact CZ3-CG 4.25Å; W200-Y203 PolarHBondContact O-N 3.44Å; Y203-L205 VanDerWaalsContact C-N 3.3Å; Y203-L205 PolarHBondContact O-N 3.47Å; Y203-A206 PolarHBondContact O-N 3.2Å; Y203-T207 HydrophobicContact CD1-CG2 4.37Å; Y203-T207 HydrophobicContact CD2-CG2 4.1Å; Y203-T207 HydrophobicContact CE1-CG2 4.07Å; Y203-T207 HydrophobicContact CE2-CG2 3.75Å; Y203-T207 HydrophobicContact CG-CG2 4.37Å; Y203-T207 WeakPolarHBondContact O-CB 3.35Å; Y203-T207 VanDerWaalsContact O-CG2 3.28Å; Y203-T207 WeakPolarHBondContact O-CG2 3.35Å; Y203-T207 PolarHBondContact O-N 2.89Å; Y203-T207 PolarHBondContact O-OG1 2.76Å; Y203-T212 HydrophobicContact CD1-CG2 3.9Å; Y203-T212 HydrophobicContact CE1-CG2 3.54Å
204A98.3Very high97.8Very high12 Ų1226.8 Ų26.810%0.09913%0.128CC..Hα-helixtrans-61.8-38.5176.800000112.2W200 C201 G202 T207 W208 F213 A216W200-A204 WeakPolarHBondContact O-CB 3.13Å; W200-A204 PolarHBondContact O-N 2.74Å; C201-A204 PolarHBondContact O-N 3.41Å; G202-A204 PolarHBondContact O-N 2.9Å; A204-T207 PolarHBondContact O-OG1 3.39Å; A204-W208 WeakPolarHBondContact O-CA 3.13Å; A204-W208 PolarHBondContact O-N 2.99Å; A204-F213 HydrophobicContact CB-CB 4.46Å; A204-A216 HydrophobicContact CB-CB 3.95Å
205L97.9Very high97.8Very high44 Ų4425 Ų2523%0.2312%0.12CC..Hα-helixtrans-66.7-45.3174.7-178.760.8000112R144 T147 M151 C201 G202 Y203 T207 W208R144-L205 HydrophobicContact CB-CD1 4.37Å; R144-L205 HydrophobicContact CG-CD1 4.25Å; T147-L205 WeakPolarHBondContact OG1-CD2 3.34Å; M151-L205 HydrophobicContact SD-CD2 3.84Å; C201-L205 WeakPolarHBondContact O-CB 3.5Å; C201-L205 PolarHBondContact O-N 2.93Å; G202-L205 PolarHBondContact O-N 2.89Å; Y203-L205 VanDerWaalsContact C-N 3.3Å; Y203-L205 PolarHBondContact O-N 3.47Å; L205-T207 VanDerWaalsContact C-N 3.31Å; L205-T207 PolarHBondContact O-N 3.18Å; L205-W208 HydrophobicContact CD1-CE3 3.92Å; L205-W208 HydrophobicContact CD1-CZ3 3.68Å; L205-W208 PolarHBondContact O-N 2.91Å
206A96.8Very high97.8Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-67-30.7-177.800000113.6L82 W139 L145 L149 G202 Y203L82-A206 HydrophobicContact CD2-CB 3.8Å; W139-A206 VanDerWaalsContact CZ2-O 3.3Å; W139-A206 WeakPolarHBondContact CZ2-O 3.37Å; W139-A206 PolarHBondContact NE1-O 3.06Å; L145-A206 HydrophobicContact CD1-CB 4.22Å; L149-A206 HydrophobicContact CG-CB 4.4Å; G202-A206 WeakPolarHBondContact O-CB 3.43Å; G202-A206 PolarHBondContact O-N 3.05Å; Y203-A206 PolarHBondContact O-N 3.2Å
207T95.8Very high97.7Very high1 Ų125.9 Ų25.91%0.00613%0.126CC..Hα-helixtrans-96-22.3-17954.50000112.9L82 M129 Y135 Y203 A204 L205 S209 T212L82-T207 HydrophobicContact CB-CG2 4.24Å; L82-T207 HydrophobicContact CD1-CG2 4Å; L82-T207 HydrophobicContact CD2-CG2 3.81Å; L82-T207 HydrophobicContact CG-CG2 4.22Å; M129-T207 HydrophobicContact CE-CG2 3.66Å; Y135-T207 WeakPolarHBondContact CE1-O 3.37Å; Y135-T207 WeakPolarHBondContact OH-CA 3.35Å; Y135-T207 PolarHBondContact OH-O 3.43Å; Y203-T207 HydrophobicContact CD1-CG2 4.37Å; Y203-T207 HydrophobicContact CD2-CG2 4.1Å; Y203-T207 HydrophobicContact CE1-CG2 4.07Å; Y203-T207 HydrophobicContact CE2-CG2 3.75Å; Y203-T207 HydrophobicContact CG-CG2 4.37Å; Y203-T207 WeakPolarHBondContact O-CB 3.35Å; Y203-T207 VanDerWaalsContact O-CG2 3.28Å; Y203-T207 WeakPolarHBondContact O-CG2 3.35Å; Y203-T207 PolarHBondContact O-N 2.89Å; Y203-T207 PolarHBondContact O-OG1 2.76Å; A204-T207 PolarHBondContact O-OG1 3.39Å; L205-T207 VanDerWaalsContact C-N 3.31Å; L205-T207 PolarHBondContact O-N 3.18Å; T207-S209 PolarHBondContact O-N 3.44Å; T207-T212 HydrophobicContact CG2-CG2 3.96Å; T207-T212 WeakPolarHBondContact OG1-CB 3.4Å; T207-T212 VanDerWaalsContact OG1-CG2 3.26Å; T207-T212 WeakPolarHBondContact OG1-CG2 3.31Å; T207-T212 PolarHBondContact OG1-OG1 2.9Å
208W96.3Very high97.7Very high156 Ų15626.5 Ų26.559%0.59113%0.128SC*.THydrogen-bonded Turntrans47.751.1179.1-159.9-105.9000114W139 A204 L205W139-W208 HydrophobicContact CH2-CB 3.58Å; W139-W208 HydrophobicContact CH2-CG 4.23Å; W139-W208 HydrophobicContact CZ2-CB 3.96Å; A204-W208 WeakPolarHBondContact O-CA 3.13Å; A204-W208 PolarHBondContact O-N 2.99Å; L205-W208 HydrophobicContact CD1-CE3 3.92Å; L205-W208 HydrophobicContact CD1-CZ3 3.68Å; L205-W208 PolarHBondContact O-N 2.91Å
209S95.6Very high97.6Very high11 Ų1125.3 Ų25.38%0.07712%0.122CC..  trans-130.7151.9-17683.80000113.4Y128 T207 T211 T212 F213Y128-S209 WeakPolarHBondContact CE1-OG 3.1Å; Y128-S209 WeakPolarHBondContact OH-CB 3.46Å; T207-S209 PolarHBondContact O-N 3.44Å; S209-T211 PolarHBondContact O-N 3Å; S209-T211 PolarHBondContact OG-N 2.71Å; S209-T212 PolarHBondContact O-OG1 3.24Å; S209-T212 WeakPolarHBondContact OG-CG2 3.33Å; S209-T212 PolarHBondContact OG-N 3.45Å; S209-T212 PolarHBondContact OG-OG1 3.42Å; S209-F213 VanDerWaalsContact O-CB 3.23Å; S209-F213 WeakPolarHBondContact O-CB 3.12Å; S209-F213 PolarHBondContact O-N 2.82Å
210L96.9Very high97.5Very high58 Ų5829.2 Ų29.230%0.30414%0.141SC..Hα-helixtrans-59.5-37.6171-179.164.6000111.4I16 F213 S214I16-L210 HydrophobicContact CD1-CD1 3.94Å; L210-F213 PolarHBondContact O-N 2.71Å; L210-S214 WeakPolarHBondContact O-CB 3.24Å; L210-S214 PolarHBondContact O-N 3.27Å
211T96.9Very high97.4Very high4 Ų429.7 Ų29.73%0.02515%0.145CC..Hα-helixtrans-59.6-51.2-178.2-520000112.1I8 S12 L124 Q125 Y128 S209 S214 F215I8-T211 HydrophobicContact CG2-CG2 4.23Å; I8-T211 VanDerWaalsContact CG2-OG1 3.26Å; I8-T211 WeakPolarHBondContact CG2-OG1 3.3Å; S12-T211 WeakPolarHBondContact OG-CA 3.37Å; L124-T211 HydrophobicContact CD1-CG2 3.57Å; L124-T211 HydrophobicContact CD2-CG2 4.15Å; L124-T211 HydrophobicContact CG-CG2 3.46Å; L124-T211 VanDerWaalsContact CG-CG2 3.46Å; Q125-T211 PolarHBondContact NE2-O 2.91Å; Y128-T211 HydrophobicContact CD1-CG2 4.38Å; Y128-T211 WeakPolarHBondContact CD2-OG1 3.42Å; Y128-T211 HydrophobicContact CG-CG2 4.01Å; S209-T211 PolarHBondContact O-N 3Å; S209-T211 PolarHBondContact OG-N 2.71Å; T211-S214 PolarHBondContact O-N 3.5Å; T211-S214 PolarHBondContact O-OG 2.86Å; T211-F215 PolarHBondContact O-N 3.35Å
212T97.1Very high97.1Very high1 Ų128.7 Ų28.71%0.00614%0.138CC..Hα-helixtrans-76.4-34.9-178.4540000111.6Y203 T207 S209 S214 F215 A216Y203-T212 HydrophobicContact CD1-CG2 3.9Å; Y203-T212 HydrophobicContact CE1-CG2 3.54Å; T207-T212 HydrophobicContact CG2-CG2 3.96Å; T207-T212 WeakPolarHBondContact OG1-CB 3.4Å; T207-T212 VanDerWaalsContact OG1-CG2 3.26Å; T207-T212 WeakPolarHBondContact OG1-CG2 3.31Å; T207-T212 PolarHBondContact OG1-OG1 2.9Å; S209-T212 PolarHBondContact O-OG1 3.24Å; S209-T212 WeakPolarHBondContact OG-CG2 3.33Å; S209-T212 PolarHBondContact OG-N 3.45Å; S209-T212 PolarHBondContact OG-OG1 3.42Å; T212-S214 VanDerWaalsContact C-N 3.34Å; T212-S214 PolarHBondContact O-N 2.87Å; T212-F215 PolarHBondContact O-N 3.13Å; T212-A216 PolarHBondContact O-N 3.26Å
213F98.3Very high96.9Very high104 Ų10429.7 Ų29.746%0.45614%0.144SC..Hα-helixtrans-59.5-43.5171174.4-99.4000112.1A204 S209 L210 F215 A216 L217A204-F213 HydrophobicContact CB-CB 4.46Å; S209-F213 VanDerWaalsContact O-CB 3.23Å; S209-F213 WeakPolarHBondContact O-CB 3.12Å; S209-F213 PolarHBondContact O-N 2.82Å; L210-F213 PolarHBondContact O-N 2.71Å; F213-F215 VanDerWaalsContact C-N 3.25Å; F213-F215 PolarHBondContact O-N 2.79Å; F213-A216 PolarHBondContact O-N 3.4Å; F213-L217 HydrophobicContact CE1-CD2 4.36Å; F213-L217 WeakPolarHBondContact O-CB 3.22Å; F213-L217 PolarHBondContact O-N 3.45Å
214S98.3Very high96.6Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-59.3-38.7179.875.70000112.1S12 L210 T211 T212 F218S12-S214 VanDerWaalsContact O-CB 3.29Å; S12-S214 WeakPolarHBondContact O-CB 3.18Å; L210-S214 WeakPolarHBondContact O-CB 3.24Å; L210-S214 PolarHBondContact O-N 3.27Å; T211-S214 PolarHBondContact O-N 3.5Å; T211-S214 PolarHBondContact O-OG 2.86Å; T212-S214 VanDerWaalsContact C-N 3.34Å; T212-S214 PolarHBondContact O-N 2.87Å; S214-F218 WeakPolarHBondContact O-CB 3.5Å; S214-F218 PolarHBondContact O-N 3.34Å
215F98.3Very high96.4Very high5 Ų530.6 Ų30.62%0.02215%0.151CC..Hα-helixtrans-72.3-42.5175.7179.2-129.6000112.5F15 F86 Y90 F117 N121 W200 T211 T212 F213 L217 F218 T219F15-F215 HydrophobicContact CD1-CB 4.43Å; F15-F215 HydrophobicContact CD1-CD2 4.46Å; F15-F215 HydrophobicContact CE1-CD2 4.13Å; F86-F215 HydrophobicContact CE2-CE1 4.21Å; Y90-F215 WeakPolarHBondContact OH-CZ 3.44Å; F117-F215 HydrophobicContact CE1-CD2 4.48Å; F117-F215 AromaticContact CE1-CE2 3.93Å; F117-F215 HydrophobicContact CE1-CE2 3.93Å; F117-F215 HydrophobicContact CZ-CD2 4.05Å; F117-F215 AromaticContact CZ-CE2 3.91Å; F117-F215 HydrophobicContact CZ-CE2 3.91Å; N121-F215 WeakPolarHBondContact ND2-CE1 3.45Å; N121-F215 VanDerWaalsContact ND2-CE2 3.31Å; N121-F215 WeakPolarHBondContact ND2-CE2 3.37Å; N121-F215 VanDerWaalsContact ND2-CZ 3.25Å; N121-F215 WeakPolarHBondContact ND2-CZ 3.35Å; N121-F215 WeakPolarHBondContact OD1-CG 3.15Å; W200-F215 AromaticContact CD2-CD1 3.95Å; W200-F215 HydrophobicContact CD2-CD1 3.95Å; W200-F215 AromaticContact CD2-CE1 3.37Å; W200-F215 HydrophobicContact CD2-CE1 3.37Å; W200-F215 HydrophobicContact CD2-CZ 4.16Å; W200-F215 AromaticContact CE2-CE1 3.38Å; W200-F215 AromaticContact CE2-CZ 3.8Å; W200-F215 AromaticContact CE3-CD1 3.84Å; W200-F215 HydrophobicContact CE3-CD1 3.84Å; W200-F215 AromaticContact CE3-CE1 3.52Å; W200-F215 HydrophobicContact CE3-CE1 3.52Å; W200-F215 HydrophobicContact CG-CD1 4.44Å; W200-F215 HydrophobicContact CG-CE1 4.05Å; W200-F215 AromaticContact CH2-CE1 3.71Å; W200-F215 HydrophobicContact CH2-CE1 3.71Å; W200-F215 AromaticContact CZ2-CE1 3.53Å; W200-F215 HydrophobicContact CZ2-CE1 3.53Å; W200-F215 AromaticContact CZ2-CZ 3.96Å; W200-F215 HydrophobicContact CZ2-CZ 3.96Å; W200-F215 HydrophobicContact CZ3-CD1 4.23Å; W200-F215 AromaticContact CZ3-CE1 3.71Å; W200-F215 HydrophobicContact CZ3-CE1 3.71Å; T211-F215 PolarHBondContact O-N 3.35Å; T212-F215 PolarHBondContact O-N 3.13Å; F213-F215 VanDerWaalsContact C-N 3.25Å; F213-F215 PolarHBondContact O-N 2.79Å; F215-L217 VanDerWaalsContact C-N 3.3Å; F215-L217 PolarHBondContact O-N 2.72Å; F215-F218 PolarHBondContact O-N 3.01Å; F215-F218 VanDerWaalsContact O-N 3.16Å; F215-T219 PolarHBondContact O-N 2.82Å; F215-T219 PolarHBondContact O-OG1 3.07Å
216A98.4Very high96.1Very high4 Ų429.1 Ų29.13%0.03314%0.142CC..Hα-helixtrans-58.3-42.8174.600000112.1W200 A204 T212 F213 T219 M220W200-A216 HydrophobicContact CB-CB 4.04Å; W200-A216 WeakPolarHBondContact O-CB 3.28Å; A204-A216 HydrophobicContact CB-CB 3.95Å; T212-A216 PolarHBondContact O-N 3.26Å; F213-A216 PolarHBondContact O-N 3.4Å; A216-T219 PolarHBondContact O-N 2.95Å; A216-M220 PolarHBondContact O-N 3.35Å
217L98.3Very high96Very high42 Ų4229.1 Ų29.122%0.2214%0.142CC..Hα-helixtrans-63.4-45.4174.5-177.864.9000111.4I16 A19 F213 F215 T219 M220 C221I16-L217 HydrophobicContact CB-CD2 4.39Å; I16-L217 HydrophobicContact CG1-CD2 4.14Å; I16-L217 HydrophobicContact CG2-CD2 4Å; A19-L217 HydrophobicContact CB-CG 4.26Å; F213-L217 HydrophobicContact CE1-CD2 4.36Å; F213-L217 WeakPolarHBondContact O-CB 3.22Å; F213-L217 PolarHBondContact O-N 3.45Å; F215-L217 VanDerWaalsContact C-N 3.3Å; F215-L217 PolarHBondContact O-N 2.72Å; L217-T219 VanDerWaalsContact C-N 3.35Å; L217-T219 PolarHBondContact O-N 3.39Å; L217-M220 PolarHBondContact O-N 3.46Å; L217-C221 WeakPolarHBondContact O-CB 3.36Å; L217-C221 PolarHBondContact O-N 2.7Å; L217-C221 PolarHBondContact O-SG 3.43Å; L217-C221 VanDerWaalsContact O-SG 3.38Å
218F97.6Very high95.9Very high36 Ų3634.6 Ų34.616%0.15816%0.164CC..Hα-helixtrans-59.2-45.1176.6-173.2-83.3000112.2F15 A19 F117 S214 F215 C221 S222F15-F218 HydrophobicContact CD1-CB 4.31Å; A19-F218 HydrophobicContact CB-CB 4.1Å; A19-F218 HydrophobicContact CB-CD2 3.96Å; A19-F218 HydrophobicContact CB-CG 4.41Å; F117-F218 AromaticContact CD2-CE1 3.99Å; F117-F218 HydrophobicContact CD2-CE1 3.99Å; F117-F218 AromaticContact CD2-CZ 3.92Å; F117-F218 HydrophobicContact CD2-CZ 3.92Å; F117-F218 HydrophobicContact CE1-CD1 4.33Å; F117-F218 HydrophobicContact CE1-CE1 4.14Å; F117-F218 AromaticContact CE2-CD1 3.51Å; F117-F218 HydrophobicContact CE2-CD1 3.51Å; F117-F218 HydrophobicContact CE2-CD2 4.12Å; F117-F218 AromaticContact CE2-CE1 3.24Å; F117-F218 HydrophobicContact CE2-CE1 3.24Å; F117-F218 AromaticContact CE2-CE2 3.9Å; F117-F218 HydrophobicContact CE2-CE2 3.9Å; F117-F218 AromaticContact CE2-CG 3.95Å; F117-F218 HydrophobicContact CE2-CG 3.95Å; F117-F218 AromaticContact CE2-CZ 3.45Å; F117-F218 HydrophobicContact CE2-CZ 3.45Å; F117-F218 VanDerWaalsContact CE2-CZ 3.45Å; F117-F218 AromaticContact CZ-CD1 3.32Å; F117-F218 HydrophobicContact CZ-CD1 3.32Å; F117-F218 AromaticContact CZ-CE1 3.34Å; F117-F218 HydrophobicContact CZ-CE1 3.34Å; F117-F218 HydrophobicContact CZ-CG 4.04Å; F117-F218 HydrophobicContact CZ-CZ 4.06Å; S214-F218 WeakPolarHBondContact O-CB 3.5Å; S214-F218 PolarHBondContact O-N 3.34Å; F215-F218 PolarHBondContact O-N 3.01Å; F215-F218 VanDerWaalsContact O-N 3.16Å; F218-C221 PolarHBondContact O-N 3.27Å; F218-S222 VanDerWaalsContact O-CB 3.24Å; F218-S222 WeakPolarHBondContact O-CB 3.3Å; F218-S222 PolarHBondContact O-N 3.42Å; F218-S222 PolarHBondContact O-OG 2.97Å
219T97.1Very high95.7Very high9 Ų928.2 Ų28.26%0.05514%0.14CC..Hα-helixtrans-57.3-53.1174.5-62.60000110.1E196 W200 F215 A216 L217 C221 S222 I223E196-T219 HydrophobicContact CG-CG2 4.24Å; W200-T219 HydrophobicContact CG-CG2 4.42Å; F215-T219 PolarHBondContact O-N 2.82Å; F215-T219 PolarHBondContact O-OG1 3.07Å; A216-T219 PolarHBondContact O-N 2.95Å; L217-T219 VanDerWaalsContact C-N 3.35Å; L217-T219 PolarHBondContact O-N 3.39Å; T219-C221 VanDerWaalsContact C-N 3.34Å; T219-C221 PolarHBondContact O-N 2.86Å; T219-S222 WeakPolarHBondContact CA-OG 3.36Å; T219-S222 PolarHBondContact O-N 2.88Å; T219-S222 VanDerWaalsContact O-N 3.08Å; T219-S222 PolarHBondContact O-OG 3.25Å; T219-I223 HydrophobicContact CG2-CD1 3.61Å; T219-I223 HydrophobicContact CG2-CG1 4.16Å; T219-I223 WeakPolarHBondContact O-CG1 3.26Å; T219-I223 PolarHBondContact O-N 2.94Å
220M96.3Very high95.6Very high82 Ų8228.3 Ų28.340%0.40414%0.14SC..Hα-helixtrans-55.8-45.9179.1-171.2-175.8-62.100112.8I197 A216 L217 S222 G224I197-M220 HydrophobicContact CD1-CG 4.38Å; I197-M220 HydrophobicContact CG2-CB 4.45Å; I197-M220 HydrophobicContact CG2-CE 3.88Å; I197-M220 HydrophobicContact CG2-CG 4.3Å; A216-M220 PolarHBondContact O-N 3.35Å; L217-M220 PolarHBondContact O-N 3.46Å; M220-S222 VanDerWaalsContact C-N 3.32Å; M220-S222 PolarHBondContact O-N 2.83Å; M220-G224 VanDerWaalsContact O-CA 3.28Å; M220-G224 WeakPolarHBondContact O-CA 3.42Å; M220-G224 PolarHBondContact O-N 2.98Å
221C95.4Very high95.6Very high13 Ų1326.4 Ų26.49%0.08813%0.129CC..Hα-helixtrans-70-25.6179.2-72.10000113.8A19 L23 L217 F218 T219 P225A19-C221 HydrophobicContact CB-CB 3.88Å; A19-C221 WeakPolarHBondContact O-CB 3Å; L23-C221 HydrophobicContact CB-CB 4.01Å; L217-C221 WeakPolarHBondContact O-CB 3.36Å; L217-C221 PolarHBondContact O-N 2.7Å; L217-C221 PolarHBondContact O-SG 3.43Å; L217-C221 VanDerWaalsContact O-SG 3.38Å; F218-C221 PolarHBondContact O-N 3.27Å; T219-C221 VanDerWaalsContact C-N 3.34Å; T219-C221 PolarHBondContact O-N 2.86Å; C221-P225 WeakPolarHBondContact O-CD 3.41Å; C221-P225 WeakPolarHBondContact O-CG 3.26Å
222S92.6Very high95.4Very high18 Ų1832.3 Ų32.313%0.12615%0.151CC..Hα-helixtrans-90.5-40.3-177.761.40000113.7Q26 F218 T219 M220Q26-S222 PolarHBondContact NE2-O 3.27Å; Q26-S222 PolarHBondContact OE1-O 2.97Å; F218-S222 VanDerWaalsContact O-CB 3.24Å; F218-S222 WeakPolarHBondContact O-CB 3.3Å; F218-S222 PolarHBondContact O-N 3.42Å; F218-S222 PolarHBondContact O-OG 2.97Å; T219-S222 WeakPolarHBondContact CA-OG 3.36Å; T219-S222 PolarHBondContact O-N 2.88Å; T219-S222 VanDerWaalsContact O-N 3.08Å; T219-S222 PolarHBondContact O-OG 3.25Å; M220-S222 VanDerWaalsContact C-N 3.32Å; M220-S222 PolarHBondContact O-N 2.83Å
223I94Very high95.3Very high22 Ų2234.8 Ų34.811%0.11316%0.161CC..Hα-helixtrans-101.1-19.9-178.274.8-175.4000113.4F193 E196 I197 T219 R226 A227F193-I223 HydrophobicContact CB-CB 4.28Å; F193-I223 HydrophobicContact CB-CD1 3.96Å; F193-I223 HydrophobicContact CB-CG1 3.99Å; F193-I223 HydrophobicContact CD1-CB 3.89Å; F193-I223 HydrophobicContact CD1-CD1 4.06Å; F193-I223 HydrophobicContact CD1-CG1 4.31Å; F193-I223 HydrophobicContact CD1-CG2 4.38Å; F193-I223 HydrophobicContact CE1-CB 4.46Å; F193-I223 HydrophobicContact CG-CB 4.11Å; F193-I223 HydrophobicContact CG-CD1 4.39Å; F193-I223 HydrophobicContact CG-CG1 4.36Å; E196-I223 HydrophobicContact CB-CD1 3.82Å; E196-I223 HydrophobicContact CG-CD1 3.99Å; I197-I223 HydrophobicContact CD1-CG1 4.02Å; I197-I223 HydrophobicContact CG1-CD1 3.95Å; I197-I223 HydrophobicContact CG1-CG1 3.89Å; T219-I223 HydrophobicContact CG2-CD1 3.61Å; T219-I223 HydrophobicContact CG2-CG1 4.16Å; T219-I223 WeakPolarHBondContact O-CG1 3.26Å; T219-I223 PolarHBondContact O-N 2.94Å; I223-R226 WeakPolarHBondContact O-CB 3.4Å; I223-R226 PolarHBondContact O-N 3.18Å; I223-A227 PolarHBondContact O-N 2.87Å
224G93.2Very high95.2Very high13 Ų1330 Ų3013%0.13414%0.139CC..Hα-helixtrans-59.2-56174.900000113.2M220 R226 A227 Y228M220-G224 VanDerWaalsContact O-CA 3.28Å; M220-G224 WeakPolarHBondContact O-CA 3.42Å; M220-G224 PolarHBondContact O-N 2.98Å; G224-R226 PolarHBondContact O-N 3.34Å; G224-A227 VanDerWaalsContact O-CB 3.31Å; G224-A227 WeakPolarHBondContact O-CB 3.08Å; G224-A227 PolarHBondContact O-N 3.42Å; G224-A227 VanDerWaalsContact O-N 3.09Å; G224-Y228 PolarHBondContact O-N 3.32Å
225P93.1Very high95Very high19 Ų1934.9 Ų34.912%0.12316%0.162CC..Hα-helixtrans-65.1-30.6177.7-18.131.2000112L23 Q26 C221 A227 Y228 H229L23-P225 HydrophobicContact CD1-CB 4.47Å; L23-P225 HydrophobicContact CD1-CG 3.3Å; Q26-P225 HydrophobicContact CB-CB 3.94Å; Q26-P225 HydrophobicContact CB-CG 4.33Å; C221-P225 WeakPolarHBondContact O-CD 3.41Å; C221-P225 WeakPolarHBondContact O-CG 3.26Å; P225-A227 VanDerWaalsContact C-N 3.32Å; P225-A227 PolarHBondContact O-N 2.85Å; P225-Y228 WeakPolarHBondContact O-CB 3.45Å; P225-Y228 PolarHBondContact O-N 3.4Å; P225-H229 PolarHBondContact O-CD2 3.09Å; P225-H229 PolarHBondContact O-N 3.06Å
226R91.8Very high94.9Very high13 Ų1340.8 Ų40.85%0.04919%0.19CC..Hα-helixtrans-60.7-40.6172.9-168.4-175.5-174.689.76.1112.3Y33 F193 I223 G224 Y228 H229 H230Y33-R226 VanDerWaalsContact CD1-NH1 3.28Å; Y33-R226 VanDerWaalsContact CZ-NH1 3.33Å; Y33-R226 PolarHBondContact O-NH2 3.38Å; Y33-R226 VanDerWaalsContact O-NH2 3.12Å; Y33-R226 PolarHBondContact OH-NE 2.95Å; Y33-R226 PolarHBondContact OH-NH2 3.06Å; F193-R226 HydrophobicContact CE2-CB 4.46Å; F193-R226 HydrophobicContact CE2-CG 4.08Å; F193-R226 HydrophobicContact CZ-CG 4.14Å; I223-R226 WeakPolarHBondContact O-CB 3.4Å; I223-R226 PolarHBondContact O-N 3.18Å; G224-R226 PolarHBondContact O-N 3.34Å; R226-Y228 VanDerWaalsContact C-N 3.34Å; R226-H229 PolarHBondContact O-N 2.9Å; R226-H230 PolarHBondContact O-N 3.38Å; R226-H230 PolarHBondContact O-ND1 2.85Å
227A94.1Very high94.6Very high0 Ų045.1 Ų45.10%021%0.208CC..Hα-helixtrans-62.6-41.5174.800000111.8F193 I223 G224 P225 H230 H231 V248F193-A227 HydrophobicContact CB-CB 4.42Å; F193-A227 HydrophobicContact CD2-CB 3.74Å; I223-A227 PolarHBondContact O-N 2.87Å; G224-A227 VanDerWaalsContact O-CB 3.31Å; G224-A227 WeakPolarHBondContact O-CB 3.08Å; G224-A227 PolarHBondContact O-N 3.42Å; G224-A227 VanDerWaalsContact O-N 3.09Å; P225-A227 VanDerWaalsContact C-N 3.32Å; P225-A227 PolarHBondContact O-N 2.85Å; A227-H230 WeakPolarHBondContact O-CB 3.13Å; A227-H230 PolarHBondContact O-N 3.34Å; A227-H231 PolarHBondContact O-N 3.35Å; A227-V248 HydrophobicContact CB-CB 3.66Å; A227-V248 HydrophobicContact CB-CG1 4.29Å; A227-V248 HydrophobicContact CB-CG2 4.14Å
228Y94.1Very high94.5Very high117 Ų11744.8 Ų44.846%0.45921%0.205SC..Hα-helixtrans-60.4-46.7173.5177.7-96000112G224 P225 R226 H230 H231 R232G224-Y228 PolarHBondContact O-N 3.32Å; P225-Y228 WeakPolarHBondContact O-CB 3.45Å; P225-Y228 PolarHBondContact O-N 3.4Å; R226-Y228 VanDerWaalsContact C-N 3.34Å; Y228-H230 VanDerWaalsContact C-N 3.26Å; Y228-H230 PolarHBondContact O-N 2.83Å; Y228-H231 WeakPolarHBondContact O-CB 3.4Å; Y228-H231 PolarHBondContact O-N 3.31Å; Y228-R232 PolarHBondContact O-N 2.93Å
229H92.8Very high94.3Very high21 Ų2152.8 Ų52.810%0.09724%0.243CC..Hα-helixtrans-62.6-34175.2-67.1-56.9000112.4Q26 Q30 Y36 P225 R226 Y233Q26-H229 PolarHBondContact O-NE2 3.31Å; Q30-H229 HydrophobicContact CG-CB 4.45Å; Q30-H229 PolarHBondContact NE2-ND1 3.23Å; Y36-H229 HydrophobicContact CE1-CB 4.48Å; Y36-H229 HydrophobicContact CE2-CB 4.42Å; Y36-H229 WeakPolarHBondContact OH-CB 2.97Å; Y36-H229 PolarHBondContact OH-O 3.29Å; Y36-H229 VanDerWaalsContact OH-O 3.05Å; P225-H229 PolarHBondContact O-CD2 3.09Å; P225-H229 PolarHBondContact O-N 3.06Å; R226-H229 PolarHBondContact O-N 2.9Å; H229-Y233 WeakPolarHBondContact O-CB 3.42Å; H229-Y233 PolarHBondContact O-N 3.46Å
230H93.6Very high94.2Very high14 Ų1457.7 Ų57.77%0.06527%0.269CS..Hα-helixtrans-67.9-42.5174.6-78.422.3000111.3Y36 F193 R226 A227 Y228 Y233 Y234Y36-H230 AromaticContact CE2-CE1 3.55Å; Y36-H230 AromaticContact CE2-ND1 3.68Å; Y36-H230 AromaticContact CZ-CE1 3.88Å; Y36-H230 AromaticContact CZ-ND1 3.58Å; Y36-H230 PolarHBondContact OH-N 3.01Å; Y36-H230 VanDerWaalsContact OH-N 3.17Å; Y36-H230 PolarHBondContact OH-ND1 3.34Å; F193-H230 AromaticContact CE2-CD2 3.75Å; F193-H230 AromaticContact CE2-NE2 3.99Å; R226-H230 PolarHBondContact O-N 3.38Å; R226-H230 PolarHBondContact O-ND1 2.85Å; A227-H230 WeakPolarHBondContact O-CB 3.13Å; A227-H230 PolarHBondContact O-N 3.34Å; Y228-H230 VanDerWaalsContact C-N 3.26Å; Y228-H230 PolarHBondContact O-N 2.83Å; H230-Y233 PolarHBondContact O-N 2.82Å; H230-Y234 WeakPolarHBondContact O-CD2 3.39Å; H230-Y234 PolarHBondContact O-N 3.5Å
231H95.9Very high94.3Very high18 Ų1854.3 Ų54.38%0.08325%0.252CS..Hα-helixtrans-58.7-52176.3-174.770.3000111.3S189 A227 Y228 Y233 Y234 Q235 R245 K246 A247S189-H231 PolarHBondContact OG-ND1 3.24Å; A227-H231 PolarHBondContact O-N 3.35Å; Y228-H231 WeakPolarHBondContact O-CB 3.4Å; Y228-H231 PolarHBondContact O-N 3.31Å; H231-Y233 PolarHBondContact O-N 3.46Å; H231-Y234 WeakPolarHBondContact O-CB 3.37Å; H231-Y234 PolarHBondContact O-N 3.13Å; H231-Y234 VanDerWaalsContact O-N 3.09Å; H231-Q235 PolarHBondContact NE2-NE2 2.99Å; H231-Q235 WeakPolarHBondContact O-CG 3.35Å; H231-Q235 PolarHBondContact O-N 3.05Å; H231-R245 PolarHBondContact CE1-O 2.87Å; H231-K246 PolarHBondContact ND1-O 2.97Å; H231-A247 HydrophobicContact CB-CB 3.71Å
232R94.3Very high94.3Very high128 Ų12855.6 Ų55.648%0.48326%0.26SS..Hα-helixtrans-58-46.9177.2-177.2177.1172.3177.60.7112.2Y228 Y234 Q235 E236Y228-R232 PolarHBondContact O-N 2.93Å; R232-Y234 VanDerWaalsContact C-N 3.27Å; R232-Y234 PolarHBondContact O-N 2.81Å; R232-Q235 PolarHBondContact O-N 2.03Å; R232-E236 HydrophobicContact CG-CG 4.45Å; R232-E236 WeakPolarHBondContact CG-OE1 3.29Å; R232-E236 IonicContact CZ-OE1 3.18Å; R232-E236 IonicContact NE-OE1 3.46Å; R232-E236 PolarHBondContact NE-OE1 2.9Å; R232-E236 IonicContact NH2-OE1 2.8Å; R232-E236 PolarHBondContact NH2-OE1 3.46Å; R232-E236 WeakPolarHBondContact O-CG 3.39Å; R232-E236 PolarHBondContact O-N 2.81Å
233Y94.1Very high94.3Very high52 Ų5265.8 Ų65.820%0.20430%0.295CS..Hα-helixtrans-57.2-40.7175.9173.9-92.8000112.4Y177 H229 H230 H231 K237Y177-Y233 HydrophobicContact CG-CE1 4.37Å; H229-Y233 WeakPolarHBondContact O-CB 3.42Å; H229-Y233 PolarHBondContact O-N 3.46Å; H230-Y233 PolarHBondContact O-N 2.82Å; H231-Y233 PolarHBondContact O-N 3.46Å; Y233-K237 HydrophobicContact CE1-CB 4.44Å; Y233-K237 HydrophobicContact CE1-CD 3.59Å; Y233-K237 HydrophobicContact CE2-CD 4.15Å; Y233-K237 WeakPolarHBondContact O-CB 3.38Å; Y233-K237 PolarHBondContact O-N 3.01Å; Y233-K237 WeakPolarHBondContact OH-CD 3.35Å; Y233-K237 PolarHBondContact OH-NZ 3Å
234Y95.4Very high94.3Very high3 Ų369.2 Ų69.21%0.01232%0.321CS..Hα-helixtrans-66.8-42.1178.5-79.5-58.6000112.2R35 P180 H230 H231 R232 K237 F238 Y241R35-Y234 PolarHBondContact NH1-OH 3.45Å; R35-Y234 PolarHBondContact NH2-OH 2.99Å; P180-Y234 WeakPolarHBondContact CD-OH 3.06Å; H230-Y234 WeakPolarHBondContact O-CD2 3.39Å; H230-Y234 PolarHBondContact O-N 3.5Å; H231-Y234 WeakPolarHBondContact O-CB 3.37Å; H231-Y234 PolarHBondContact O-N 3.13Å; H231-Y234 VanDerWaalsContact O-N 3.09Å; R232-Y234 VanDerWaalsContact C-N 3.27Å; R232-Y234 PolarHBondContact O-N 2.81Å; Y234-K237 PolarHBondContact O-N 3.14Å; Y234-F238 AromaticContact CD1-CD2 3.71Å; Y234-F238 HydrophobicContact CD1-CD2 3.71Å; Y234-F238 AromaticContact CD1-CE2 3.51Å; Y234-F238 HydrophobicContact CD1-CE2 3.51Å; Y234-F238 HydrophobicContact CE1-CD2 4.49Å; Y234-F238 AromaticContact CE1-CE2 3.89Å; Y234-F238 HydrophobicContact CE1-CE2 3.89Å; Y234-F238 PolarHBondContact O-N 2.9Å; Y234-Y241 VanDerWaalsContact CB-CE2 3.47Å; Y234-Y241 HydrophobicContact CD1-CD2 4.45Å; Y234-Y241 HydrophobicContact CD1-CE2 4.16Å; Y234-Y241 HydrophobicContact CD2-CE2 4.21Å; Y234-Y241 HydrophobicContact CG-CD2 4.24Å; Y234-Y241 AromaticContact CG-CE2 3.73Å; Y234-Y241 HydrophobicContact CG-CE2 3.73Å
235Q95.5Very high94.5Very high103 Ų10368.7 Ų68.748%0.48132%0.315SS..Hα-helixtrans-63.7-39.6176.9-69.7176.2-36.700112.7H231 R232 Y241H231-Q235 PolarHBondContact NE2-NE2 2.99Å; H231-Q235 WeakPolarHBondContact O-CG 3.35Å; H231-Q235 PolarHBondContact O-N 3.05Å; R232-Q235 PolarHBondContact O-N 2.03Å; Q235-Y241 HydrophobicContact CG-CD1 3.91Å; Q235-Y241 HydrophobicContact CG-CE1 4.31Å
236E94.6Very high94.7Very high129 Ų12971.4 Ų71.460%0.60333%0.325SS*.Hα-helixtrans-74.4-33.4179.4-70.4172.3177.100112.2R232R232-E236 HydrophobicContact CG-CG 4.45Å; R232-E236 WeakPolarHBondContact CG-OE1 3.29Å; R232-E236 IonicContact CZ-OE1 3.18Å; R232-E236 IonicContact NE-OE1 3.46Å; R232-E236 PolarHBondContact NE-OE1 2.9Å; R232-E236 IonicContact NH2-OE1 2.8Å; R232-E236 PolarHBondContact NH2-OE1 3.46Å; R232-E236 WeakPolarHBondContact O-CG 3.39Å; R232-E236 PolarHBondContact O-N 2.81Å
237K93.6Very high94.9Very high96 Ų9670.8 Ų70.842%0.41732%0.323SS..Hα-helixtrans-87.9-34.6-173.3179.2165.1176.8158.40114.5Y233 Y234Y233-K237 HydrophobicContact CE1-CB 4.44Å; Y233-K237 HydrophobicContact CE1-CD 3.59Å; Y233-K237 HydrophobicContact CE2-CD 4.15Å; Y233-K237 WeakPolarHBondContact O-CB 3.38Å; Y233-K237 PolarHBondContact O-N 3.01Å; Y233-K237 WeakPolarHBondContact OH-CD 3.35Å; Y233-K237 PolarHBondContact OH-NZ 3Å; Y234-K237 PolarHBondContact O-N 3.14Å
238F95.3Very high95Very high35 Ų3571.1 Ų71.115%0.15433%0.325CS..  trans-119.2114.7-171.4-59.2-84.9000110.7Y177 I179 Y234 D240 Y241Y177-F238 VanDerWaalsContact O-CZ 3.3Å; Y177-F238 WeakPolarHBondContact O-CZ 3.43Å; I179-F238 HydrophobicContact CD1-CB 3.8Å; I179-F238 HydrophobicContact CD1-CD1 4.11Å; I179-F238 HydrophobicContact CD1-CG 3.93Å; I179-F238 HydrophobicContact CG1-CB 4.11Å; I179-F238 HydrophobicContact CG1-CD1 3.86Å; I179-F238 HydrophobicContact CG1-CD2 3.97Å; I179-F238 HydrophobicContact CG1-CE1 4.24Å; I179-F238 HydrophobicContact CG1-CE2 4.34Å; I179-F238 HydrophobicContact CG1-CG 3.71Å; I179-F238 HydrophobicContact CG1-CZ 4.46Å; Y234-F238 AromaticContact CD1-CD2 3.71Å; Y234-F238 HydrophobicContact CD1-CD2 3.71Å; Y234-F238 AromaticContact CD1-CE2 3.51Å; Y234-F238 HydrophobicContact CD1-CE2 3.51Å; Y234-F238 HydrophobicContact CE1-CD2 4.49Å; Y234-F238 AromaticContact CE1-CE2 3.89Å; Y234-F238 HydrophobicContact CE1-CE2 3.89Å; Y234-F238 PolarHBondContact O-N 2.9Å; F238-D240 PolarHBondContact O-N 3.37Å; F238-Y241 VanDerWaalsContact O-CB 3.31Å; F238-Y241 WeakPolarHBondContact O-CB 3.27Å; F238-Y241 PolarHBondContact O-N 3.33Å
239E94.6Very high95Very high203 Ų20369 Ų6995%0.94932%0.321SS*.THydrogen-bonded Turntrans-62.6-32.1176.9-63.8-177174.300112.2Y241E239-Y241 VanDerWaalsContact C-N 3.29Å; E239-Y241 PolarHBondContact O-N 2.96Å
240D95.1Very high95Very high112 Ų11269.1 Ų69.160%0.59932%0.323SS*.THydrogen-bonded Turntrans-87.513.5179.169.7-40.1000113.6I179 F238I179-D240 WeakPolarHBondContact CD1-OD1 3.28Å; F238-D240 PolarHBondContact O-N 3.37Å
241Y96.9Very high94.9Very high12 Ų1276.2 Ų76.25%0.04735%0.354CS..  trans-66.3129.4-179.8-165.5-108.9000112.5I179 S189 Y234 Q235 F238 E239 R243 R245I179-Y241 HydrophobicContact CD1-CD2 4.16Å; I179-Y241 HydrophobicContact CG1-CD2 4.14Å; I179-Y241 HydrophobicContact CG2-CD2 4.07Å; I179-Y241 HydrophobicContact CG2-CE2 4.05Å; S189-Y241 WeakPolarHBondContact CB-OH 3.45Å; S189-Y241 PolarHBondContact OG-OH 3.28Å; Y234-Y241 VanDerWaalsContact CB-CE2 3.47Å; Y234-Y241 HydrophobicContact CD1-CD2 4.45Å; Y234-Y241 HydrophobicContact CD1-CE2 4.16Å; Y234-Y241 HydrophobicContact CD2-CE2 4.21Å; Y234-Y241 HydrophobicContact CG-CD2 4.24Å; Y234-Y241 AromaticContact CG-CE2 3.73Å; Y234-Y241 HydrophobicContact CG-CE2 3.73Å; Q235-Y241 HydrophobicContact CG-CD1 3.91Å; Q235-Y241 HydrophobicContact CG-CE1 4.31Å; F238-Y241 VanDerWaalsContact O-CB 3.31Å; F238-Y241 WeakPolarHBondContact O-CB 3.27Å; F238-Y241 PolarHBondContact O-N 3.33Å; E239-Y241 VanDerWaalsContact C-N 3.29Å; E239-Y241 PolarHBondContact O-N 2.96Å; Y241-R243 PolarHBondContact O-N 3.48Å; Y241-R243 VanDerWaalsContact O-N 3.09Å; Y241-R245 HydrophobicContact CE1-CB 4.34Å
242P95.1Very high94.7Very high39 Ų3981.6 Ų81.625%0.25338%0.382SS..  trans-63.1114.1-179.2-24.635.3000112.8S244 R245P242-S244 PolarHBondContact O-N 3.01Å; P242-R245 HydrophobicContact CB-CG 4.09Å; P242-R245 PolarHBondContact O-N 3.43Å
243R93.4Very high94.2Very high232 Ų23280 Ų8088%0.87538%0.383SS*.THydrogen-bonded Turntrans-68.5-17.6-178.5-62.7-172.8-178.6-176.90.6114.3Y241 R245Y241-R243 PolarHBondContact O-N 3.48Å; Y241-R243 VanDerWaalsContact O-N 3.09Å; R243-R245 VanDerWaalsContact C-N 3.3Å
244S95Very high94.2Very high94 Ų9481.4 Ų81.466%0.65739%0.391SS*.THydrogen-bonded Turntrans-72.7-23.3176.553.50000113P242P242-S244 PolarHBondContact O-N 3.01Å
245R97Very high94.1Very high3 Ų385.5 Ų85.51%0.01141%0.411CS..  trans-66.8147.7-178.7-70.8175.8-174.9-163.1-3.6110.9P180 F185 E186 Y187 H231 Y241 P242 R243P180-R245 PolarHBondContact O-NH1 3.03Å; P180-R245 PolarHBondContact O-NH2 3.42Å; P180-R245 VanDerWaalsContact O-NH2 3.15Å; F185-R245 VanDerWaalsContact O-CD 3.25Å; F185-R245 WeakPolarHBondContact O-CD 3.26Å; F185-R245 PolarHBondContact O-NE 3.45Å; F185-R245 PolarHBondContact O-NH1 3.26Å; F185-R245 PolarHBondContact O-NH2 3.38Å; E186-R245 IonicContact OE1-NH2 3.97Å; E186-R245 IonicContact OE2-CZ 3.39Å; E186-R245 IonicContact OE2-NH2 3.7Å; E186-R245 PolarHBondContact OE2-NH2 3.28Å; Y187-R245 CarbonylContact O-C 3.39Å; Y187-R245 WeakPolarHBondContact O-CA 3.16Å; H231-R245 PolarHBondContact CE1-O 2.87Å; Y241-R245 HydrophobicContact CE1-CB 4.34Å; P242-R245 HydrophobicContact CB-CG 4.09Å; P242-R245 PolarHBondContact O-N 3.43Å; R243-R245 VanDerWaalsContact C-N 3.3Å
246K97.5Very high94Very high75 Ų7584.5 Ų84.533%0.32641%0.408SS..BIsolated β-bridgetrans-106.1174.9171.4-61.8-55.9-178.2-177.30110.1Y187 V188 S189 H231 L253Y187-K246 PolarHBondContact O-N 3.49Å; V188-K246 CarbonylContact C-O 3.58Å; V188-K246 WeakPolarHBondContact CA-O 3.47Å; V188-K246 HydrophobicContact CG1-CB 4.25Å; S189-K246 PolarHBondContact N-O 3.49Å; S189-K246 PolarHBondContact OG-O 3.37Å; H231-K246 PolarHBondContact ND1-O 2.97Å; K246-L253 WeakPolarHBondContact CB-OXT 3.31Å
247A96.1Very high94Very high0 Ų081.9 Ų81.90%040%0.396CS..SBendtrans-74.6-51-178.800000112.5S189 G190 H231 L253S189-A247 PolarHBondContact N-O 3.35Å; G190-A247 PolarHBondContact N-O 3.43Å; H231-A247 HydrophobicContact CB-CB 3.71Å; A247-L253 VanDerWaalsContact CB-OXT 3.27Å; A247-L253 WeakPolarHBondContact CB-OXT 3.3Å; A247-L253 PolarHBondContact N-O 3.35Å; A247-L253 VanDerWaalsContact N-O 3.07Å; A247-L253 PolarHBondContact N-OXT 3.02Å
248V96.3Very high94Very high8 Ų881 Ų815%0.04840%0.395CS..SBendtrans-150.6-36.2-171.660.10000114.5F194 I197 A227 L253F194-V248 HydrophobicContact CB-CG2 4.13Å; F194-V248 WeakPolarHBondContact CB-O 3.28Å; F194-V248 WeakPolarHBondContact CD2-O 3.16Å; I197-V248 HydrophobicContact CD1-CG2 3.99Å; A227-V248 HydrophobicContact CB-CB 3.66Å; A227-V248 HydrophobicContact CB-CG1 4.29Å; A227-V248 HydrophobicContact CB-CG2 4.14Å; V248-L253 CarbonylContact C-O 3.6Å; V248-L253 PolarHBondContact N-O 3.49Å
249I93.8Very high93.9Very high73 Ų7384.1 Ų84.137%0.37441%0.411SS..SBendtrans-100.4117.2176.5-58.6169.5000108.4F251 I252 L253I249-F251 PolarHBondContact O-N 3.12Å; I249-I252 HydrophobicContact CB-CB 4.14Å; I249-I252 HydrophobicContact CG2-CB 3.77Å; I249-I252 HydrophobicContact CG2-CD1 3.75Å; I249-I252 HydrophobicContact CG2-CG1 4.13Å; I249-I252 HydrophobicContact CG2-CG2 4.47Å; I249-I252 PolarHBondContact O-N 2.76Å; I249-I252 VanDerWaalsContact O-N 3.11Å; I249-L253 HydrophobicContact CB-CB 4.32Å; I249-L253 HydrophobicContact CD1-CB 4.49Å; I249-L253 PolarHBondContact N-O 3.23Å; I249-L253 PolarHBondContact O-N 2.69Å
250P91.7Very high93.9Very high22 Ų2275.6 Ų75.614%0.14337%0.372CS..THydrogen-bonded Turntrans-52.7133.5-178.5-27.236.5000111.8M184 V188 F194 I252M184-P250 HydrophobicContact CE-CB 4.08Å; M184-P250 HydrophobicContact CE-CG 3.11Å; V188-P250 HydrophobicContact CG1-CB 4.34Å; V188-P250 HydrophobicContact CG1-CG 3.91Å; F194-P250 HydrophobicContact CE2-CG 4.44Å; F194-P250 HydrophobicContact CZ-CG 4.41Å; P250-I252 PolarHBondContact O-N 3.29Å
251F91.9Very high93.8Very high164 Ų16472.8 Ų72.872%0.71936%0.355SS*.THydrogen-bonded Turntrans63.9-8.2179.2-41.6-71.6000116.3Y187 I249Y187-F251 AromaticContact CD1-CE1 3.98Å; Y187-F251 HydrophobicContact CD1-CE1 3.98Å; Y187-F251 HydrophobicContact CD1-CE2 4.43Å; Y187-F251 AromaticContact CD1-CZ 3.59Å; Y187-F251 HydrophobicContact CD1-CZ 3.59Å; Y187-F251 HydrophobicContact CE1-CE1 4.39Å; Y187-F251 AromaticContact CE1-CZ 3.83Å; Y187-F251 HydrophobicContact CE1-CZ 3.83Å; I249-F251 PolarHBondContact O-N 3.12Å
252I91.8Very high93.5Very high130 Ų13077.8 Ų77.867%0.66738%0.381SS*.THydrogen-bonded Turntrans-111-67.9-175.7-61.2171.2000111I249 P250I249-I252 HydrophobicContact CB-CB 4.14Å; I249-I252 HydrophobicContact CG2-CB 3.77Å; I249-I252 HydrophobicContact CG2-CD1 3.75Å; I249-I252 HydrophobicContact CG2-CG1 4.13Å; I249-I252 HydrophobicContact CG2-CG2 4.47Å; I249-I252 PolarHBondContact O-N 2.76Å; I249-I252 VanDerWaalsContact O-N 3.11Å; P250-I252 PolarHBondContact O-N 3.29Å
253L82.9Confident93.4Very high94 Ų9481.4 Ų81.449%0.49239%0.392SS..  trans-130.20-168.9177.761.4000112.5K246 A247 V248 I249K246-L253 WeakPolarHBondContact CB-OXT 3.31Å; A247-L253 VanDerWaalsContact CB-OXT 3.27Å; A247-L253 WeakPolarHBondContact CB-OXT 3.3Å; A247-L253 PolarHBondContact N-O 3.35Å; A247-L253 VanDerWaalsContact N-O 3.07Å; A247-L253 PolarHBondContact N-OXT 3.02Å; V248-L253 CarbonylContact C-O 3.6Å; V248-L253 PolarHBondContact N-O 3.49Å; I249-L253 HydrophobicContact CB-CB 4.32Å; I249-L253 HydrophobicContact CD1-CB 4.49Å; I249-L253 PolarHBondContact N-O 3.23Å; I249-L253 PolarHBondContact O-N 2.69Å

Retrieved 253 of 253 residues in 1371.7 ms (Link to these results)

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