YH046_YEAST Loading...

Putative uncharacterized protein YHL046W-A

AlphaFold DB , UniProt , Accession A0A023PYG5, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 108 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
1M50.4Low48.6Very low81 Ų8174.5 Ų74.540%0.39938%0.381SS..  0116.10-162.7171.9170.200109.1N5 R6 A9 L41 I48M1-N5 VanDerWaalsContact CE-C 3.49Å; M1-N5 HydrophobicContact CE-CB 3.74Å; M1-N5 VanDerWaalsContact CE-O 3.29Å; M1-N5 WeakPolarHBondContact CE-O 3.46Å; M1-N5 HydrophobicContact CG-CB 3.61Å; M1-R6 HydrophobicContact CE-CG 4.2Å; M1-R6 HydrophobicContact CG-CG 4.34Å; M1-R6 HydrophobicContact SD-CG 4.26Å; M1-A9 HydrophobicContact CE-CB 4.35Å; M1-L41 HydrophobicContact CE-CD1 3.82Å; M1-I48 HydrophobicContact CB-CG2 4.28Å
2N47.7Very low48.9Very low81 Ų8174.5 Ų74.543%0.43339%0.391SS..  trans-69.9166.5179.867.60.9000110.7E4 N5 R6N2-E4 PolarHBondContact O-N 2.81Å; N2-N5 PolarHBondContact O-N 3.23Å; N2-N5 WeakPolarHBondContact OD1-CB 3.4Å; N2-N5 PolarHBondContact OD1-N 3.02Å; N2-N5 PolarHBondContact OD1-OD1 3.4Å; N2-R6 PolarHBondContact O-N 3.38Å
3A49.8Very low49.2Very low65 Ų6570.2 Ų70.254%0.53737%0.368SS..Hα-helixtrans-61.4-32-177.700000112.6R6 N7A3-R6 PolarHBondContact O-N 3.22Å; A3-N7 PolarHBondContact O-N 3.28Å
4E46.1Very low49.6Very low129 Ų12967.4 Ų67.460%0.60336%0.355SS*.Hα-helixtrans-60.8-48.9177-171.5174.5-167.300112.2N2 R6 N7 I8N2-E4 PolarHBondContact O-N 2.81Å; E4-R6 PolarHBondContact O-N 3.26Å; E4-N7 PolarHBondContact O-N 3.03Å; E4-N7 VanDerWaalsContact O-N 3.14Å; E4-I8 HydrophobicContact CG-CD1 4.29Å; E4-I8 WeakPolarHBondContact O-CG1 3.49Å; E4-I8 PolarHBondContact O-N 3.44Å
5N45.8Very low49.4Very low67 Ų6766.4 Ų66.436%0.35836%0.356SS..Hα-helixtrans-63-32.1177.6-69.40.1000112.4M1 N2 A9M1-N5 VanDerWaalsContact CE-C 3.49Å; M1-N5 HydrophobicContact CE-CB 3.74Å; M1-N5 VanDerWaalsContact CE-O 3.29Å; M1-N5 WeakPolarHBondContact CE-O 3.46Å; M1-N5 HydrophobicContact CG-CB 3.61Å; N2-N5 PolarHBondContact O-N 3.23Å; N2-N5 WeakPolarHBondContact OD1-CB 3.4Å; N2-N5 PolarHBondContact OD1-N 3.02Å; N2-N5 PolarHBondContact OD1-OD1 3.4Å; N5-A9 PolarHBondContact O-N 3.01Å; N5-A9 VanDerWaalsContact O-N 3.11Å
6R47.6Very low49.3Very low131 Ų13169 Ų6949%0.49436%0.36SS..Hα-helixtrans-68.6-41175.6-76.7-179.1-86.7173.4-6.3111.8M1 N2 A3 E4 A9 F10M1-R6 HydrophobicContact CE-CG 4.2Å; M1-R6 HydrophobicContact CG-CG 4.34Å; M1-R6 HydrophobicContact SD-CG 4.26Å; N2-R6 PolarHBondContact O-N 3.38Å; A3-R6 PolarHBondContact O-N 3.22Å; E4-R6 PolarHBondContact O-N 3.26Å; R6-A9 PolarHBondContact O-N 3.29Å; R6-F10 WeakPolarHBondContact O-CB 3.29Å; R6-F10 PolarHBondContact O-N 3.21Å
7N48.1Very low49.4Very low72 Ų7266.2 Ų66.239%0.38535%0.345SS..Hα-helixtrans-67-39175.7-101.9-5.1000112.5A3 E4 F10 N11A3-N7 PolarHBondContact O-N 3.28Å; E4-N7 PolarHBondContact O-N 3.03Å; E4-N7 VanDerWaalsContact O-N 3.14Å; N7-F10 PolarHBondContact O-N 3.29Å; N7-N11 WeakPolarHBondContact O-CB 3.43Å; N7-N11 PolarHBondContact O-N 3.01Å
8I47.4Very low49.4Very low96 Ų9664.4 Ų64.449%0.49234%0.335SS..Hα-helixtrans-62.8-47.5176.1-67.5167.5000110.3E4 F10 N11 C12E4-I8 HydrophobicContact CG-CD1 4.29Å; E4-I8 WeakPolarHBondContact O-CG1 3.49Å; E4-I8 PolarHBondContact O-N 3.44Å; I8-F10 VanDerWaalsContact C-N 3.35Å; I8-F10 PolarHBondContact O-N 3.2Å; I8-N11 PolarHBondContact O-N 3.25Å; I8-C12 VanDerWaalsContact O-CB 3.29Å; I8-C12 WeakPolarHBondContact O-CB 3.45Å; I8-C12 PolarHBondContact O-N 2.76Å
9A49.5Very low49.1Very low5 Ų564.9 Ų64.94%0.04135%0.35CS..Hα-helixtrans-60.5-44.2177.800000111.9M1 N5 R6 C12 Q13M1-A9 HydrophobicContact CE-CB 4.35Å; N5-A9 PolarHBondContact O-N 3.01Å; N5-A9 VanDerWaalsContact O-N 3.11Å; R6-A9 PolarHBondContact O-N 3.29Å; A9-C12 PolarHBondContact O-N 2.93Å; A9-Q13 VanDerWaalsContact O-CG 3.23Å; A9-Q13 WeakPolarHBondContact O-CG 3.24Å; A9-Q13 PolarHBondContact O-N 3.33Å; A9-Q13 VanDerWaalsContact O-N 3.07Å
10F52.6Low48.8Very low46 Ų4662.1 Ų62.120%0.20233%0.334CS..Hα-helixtrans-64.2-46.5177.6-174-95000112.6R6 N7 I8 C12 Q13 V14 F89R6-F10 WeakPolarHBondContact O-CB 3.29Å; R6-F10 PolarHBondContact O-N 3.21Å; N7-F10 PolarHBondContact O-N 3.29Å; I8-F10 VanDerWaalsContact C-N 3.35Å; I8-F10 PolarHBondContact O-N 3.2Å; F10-C12 VanDerWaalsContact C-N 3.34Å; F10-C12 PolarHBondContact O-N 3.05Å; F10-Q13 WeakPolarHBondContact O-CB 3.34Å; F10-Q13 PolarHBondContact O-N 3.12Å; F10-V14 HydrophobicContact CD1-CG2 4.19Å; F10-V14 HydrophobicContact CE1-CG2 3.8Å; F10-V14 HydrophobicContact CZ-CG2 4.07Å; F10-V14 WeakPolarHBondContact O-CG2 3.47Å; F10-V14 PolarHBondContact O-N 3.14Å; F10-F89 HydrophobicContact CE2-CB 4.25Å; F10-F89 HydrophobicContact CE2-CD1 4.08Å; F10-F89 HydrophobicContact CE2-CD2 4.49Å; F10-F89 HydrophobicContact CE2-CG 4.03Å; F10-F89 HydrophobicContact CZ-CB 3.83Å; F10-F89 HydrophobicContact CZ-CG 4.07Å
11N50.2Low48.8Very low46 Ų4660.4 Ų60.425%0.24633%0.327CS..Hα-helixtrans-65.1-38178.2-80.4-23000112N7 I8 Q13 V14 S15N7-N11 WeakPolarHBondContact O-CB 3.43Å; N7-N11 PolarHBondContact O-N 3.01Å; I8-N11 PolarHBondContact O-N 3.25Å; N11-Q13 VanDerWaalsContact C-N 3.29Å; N11-Q13 PolarHBondContact O-N 3.4Å; N11-V14 PolarHBondContact O-N 3.45Å; N11-S15 WeakPolarHBondContact O-CB 3.3Å; N11-S15 PolarHBondContact O-N 3.39Å; N11-S15 PolarHBondContact O-OG 2.79Å; N11-S15 VanDerWaalsContact O-OG 3.1Å
12C52.1Low48.8Very low75 Ų7561.5 Ų61.551%0.50734%0.343SS..Hα-helixtrans-61.2-41.2174.4-151.70000111I8 A9 F10 Y16I8-C12 VanDerWaalsContact O-CB 3.29Å; I8-C12 WeakPolarHBondContact O-CB 3.45Å; I8-C12 PolarHBondContact O-N 2.76Å; A9-C12 PolarHBondContact O-N 2.93Å; F10-C12 VanDerWaalsContact C-N 3.34Å; F10-C12 PolarHBondContact O-N 3.05Å; C12-Y16 WeakPolarHBondContact O-CB 3.44Å; C12-Y16 PolarHBondContact O-N 3.12Å
13Q52.6Low48.9Very low18 Ų1859.9 Ų59.98%0.08434%0.335CS..Hα-helixtrans-66.2-41.4177.7-73164.39.400113.2A9 F10 N11 F17 F30 N34 L56A9-Q13 VanDerWaalsContact O-CG 3.23Å; A9-Q13 WeakPolarHBondContact O-CG 3.24Å; A9-Q13 PolarHBondContact O-N 3.33Å; A9-Q13 VanDerWaalsContact O-N 3.07Å; F10-Q13 WeakPolarHBondContact O-CB 3.34Å; F10-Q13 PolarHBondContact O-N 3.12Å; N11-Q13 VanDerWaalsContact C-N 3.29Å; N11-Q13 PolarHBondContact O-N 3.4Å; Q13-F17 WeakPolarHBondContact O-CB 3.42Å; Q13-F17 PolarHBondContact O-N 3.32Å; Q13-F30 HydrophobicContact CB-CZ 4.12Å; Q13-F30 HydrophobicContact CG-CZ 3.98Å; Q13-N34 WeakPolarHBondContact CG-OD1 3.46Å; Q13-N34 PolarHBondContact NE2-OD1 3.24Å; Q13-N34 VanDerWaalsContact NE2-OD1 3.11Å; Q13-L56 HydrophobicContact CG-CD2 4.26Å
14V54Low48.9Very low31 Ų3159 Ų5919%0.18832%0.32CS..Hα-helixtrans-68.9-48.1177.3173.70000111F10 N11 Y16 F17 L18F10-V14 HydrophobicContact CD1-CG2 4.19Å; F10-V14 HydrophobicContact CE1-CG2 3.8Å; F10-V14 HydrophobicContact CZ-CG2 4.07Å; F10-V14 WeakPolarHBondContact O-CG2 3.47Å; F10-V14 PolarHBondContact O-N 3.14Å; N11-V14 PolarHBondContact O-N 3.45Å; V14-Y16 VanDerWaalsContact C-N 3.27Å; V14-Y16 PolarHBondContact O-N 2.67Å; V14-F17 PolarHBondContact O-N 3.19Å; V14-L18 HydrophobicContact CG1-CD1 3.95Å; V14-L18 HydrophobicContact CG1-CG 4.48Å; V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.39Å; V14-L18 PolarHBondContact O-N 3.16Å
15S47.6Very low49.1Very low53 Ų5360.8 Ų60.837%0.37132%0.322SS..Hα-helixtrans-57.2-42.7176.4-670000111.9N11 L18 A19 F101N11-S15 WeakPolarHBondContact O-CB 3.3Å; N11-S15 PolarHBondContact O-N 3.39Å; N11-S15 PolarHBondContact O-OG 2.79Å; N11-S15 VanDerWaalsContact O-OG 3.1Å; S15-L18 PolarHBondContact O-N 3.46Å; S15-A19 WeakPolarHBondContact O-CB 3.46Å; S15-A19 PolarHBondContact O-N 3.48Å; S15-F101 VanDerWaalsContact OG-CE1 3.29Å; S15-F101 WeakPolarHBondContact OG-CE1 3.47Å; S15-F101 WeakPolarHBondContact OG-CZ 3.29Å
16Y46.8Very low49.2Very low108 Ų10859.9 Ų59.942%0.42432%0.316SS..Hα-helixtrans-70.8-40.3-179.8-159.5-96.8000111.3C12 V14 L18 A19 I20 I26 F30C12-Y16 WeakPolarHBondContact O-CB 3.44Å; C12-Y16 PolarHBondContact O-N 3.12Å; V14-Y16 VanDerWaalsContact C-N 3.27Å; V14-Y16 PolarHBondContact O-N 2.67Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; Y16-L18 PolarHBondContact O-N 3.09Å; Y16-A19 WeakPolarHBondContact O-CB 3.41Å; Y16-A19 PolarHBondContact O-N 3.43Å; Y16-A19 VanDerWaalsContact O-N 3.16Å; Y16-I20 HydrophobicContact CD1-CD1 3.76Å; Y16-I20 HydrophobicContact CD1-CG2 4.03Å; Y16-I20 HydrophobicContact CE1-CD1 3.97Å; Y16-I20 HydrophobicContact CE1-CG2 3.79Å; Y16-I20 WeakPolarHBondContact O-CG1 3.4Å; Y16-I20 VanDerWaalsContact O-CG2 3.29Å; Y16-I20 WeakPolarHBondContact O-CG2 3.31Å; Y16-I20 PolarHBondContact O-N 2.97Å; Y16-I20 VanDerWaalsContact O-N 3.12Å; Y16-I26 HydrophobicContact CE1-CG2 3.8Å; Y16-F30 AromaticContact CD1-CD2 3.81Å; Y16-F30 HydrophobicContact CD1-CD2 3.81Å; Y16-F30 HydrophobicContact CD1-CE2 4.09Å; Y16-F30 HydrophobicContact CE1-CD2 4.31Å
17F51Low49.3Very low22 Ų2253.7 Ų53.710%0.09629%0.293CS..Hα-helixtrans-58.8-41173.7-179.5-110.3000112.9Q13 V14 A19 I20 S21 L63Q13-F17 WeakPolarHBondContact O-CB 3.42Å; Q13-F17 PolarHBondContact O-N 3.32Å; V14-F17 PolarHBondContact O-N 3.19Å; F17-A19 VanDerWaalsContact C-N 3.35Å; F17-I20 WeakPolarHBondContact O-CG1 3.11Å; F17-I20 PolarHBondContact O-N 3.07Å; F17-S21 PolarHBondContact O-N 3.48Å; F17-L63 HydrophobicContact CB-CD1 4.29Å; F17-L63 HydrophobicContact CD1-CD2 3.8Å; F17-L63 HydrophobicContact CD2-CB 4.14Å; F17-L63 HydrophobicContact CD2-CD1 3.33Å; F17-L63 HydrophobicContact CD2-CD2 3.34Å; F17-L63 HydrophobicContact CD2-CG 3.71Å; F17-L63 HydrophobicContact CE1-CD2 3.64Å; F17-L63 HydrophobicContact CE2-CB 3.74Å; F17-L63 HydrophobicContact CE2-CD1 3.83Å; F17-L63 HydrophobicContact CE2-CD2 3.16Å; F17-L63 HydrophobicContact CE2-CG 3.69Å; F17-L63 HydrophobicContact CG-CD1 3.93Å; F17-L63 HydrophobicContact CG-CD2 3.65Å; F17-L63 HydrophobicContact CG-CG 4.34Å; F17-L63 HydrophobicContact CZ-CB 4.49Å; F17-L63 HydrophobicContact CZ-CD2 3.32Å; F17-L63 HydrophobicContact CZ-CG 4.32Å
18L49.8Very low49.4Very low34 Ų3453.6 Ų53.618%0.17829%0.292CS..Hα-helixtrans-65.5-40.1176.3-69.3170.6000111.5V14 S15 Y16 I20 S21 F101 L105V14-L18 HydrophobicContact CG1-CD1 3.95Å; V14-L18 HydrophobicContact CG1-CG 4.48Å; V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.39Å; V14-L18 PolarHBondContact O-N 3.16Å; S15-L18 PolarHBondContact O-N 3.46Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; Y16-L18 PolarHBondContact O-N 3.09Å; L18-I20 VanDerWaalsContact C-N 3.26Å; L18-I20 PolarHBondContact O-N 3.43Å; L18-S21 PolarHBondContact O-OG 2.92Å; L18-F101 HydrophobicContact CD1-CD1 3.39Å; L18-F101 HydrophobicContact CD1-CE1 3.76Å; L18-F101 HydrophobicContact CD1-CG 4.3Å; L18-L105 HydrophobicContact CB-CD1 4.12Å; L18-L105 HydrophobicContact CD1-CD1 3.67Å; L18-L105 HydrophobicContact CD2-CD1 3.59Å; L18-L105 HydrophobicContact CG-CD1 3.95Å
19A44.6Very low49.8Very low74 Ų7454 Ų5461%0.61230%0.296SS*.Hα-helixtrans-65.1-25.6176.900000113.7S15 Y16 F17S15-A19 WeakPolarHBondContact O-CB 3.46Å; S15-A19 PolarHBondContact O-N 3.48Å; Y16-A19 WeakPolarHBondContact O-CB 3.41Å; Y16-A19 PolarHBondContact O-N 3.43Å; Y16-A19 VanDerWaalsContact O-N 3.16Å; F17-A19 VanDerWaalsContact C-N 3.35Å
20I41.9Very low49.9Very low7 Ų754 Ų544%0.03630%0.295CS..THydrogen-bonded Turntrans-111.77-169.370.2-176.1000113.9Y16 F17 L18 S22 D23 I26 F30Y16-I20 HydrophobicContact CD1-CD1 3.76Å; Y16-I20 HydrophobicContact CD1-CG2 4.03Å; Y16-I20 HydrophobicContact CE1-CD1 3.97Å; Y16-I20 HydrophobicContact CE1-CG2 3.79Å; Y16-I20 WeakPolarHBondContact O-CG1 3.4Å; Y16-I20 VanDerWaalsContact O-CG2 3.29Å; Y16-I20 WeakPolarHBondContact O-CG2 3.31Å; Y16-I20 PolarHBondContact O-N 2.97Å; Y16-I20 VanDerWaalsContact O-N 3.12Å; F17-I20 WeakPolarHBondContact O-CG1 3.11Å; F17-I20 PolarHBondContact O-N 3.07Å; L18-I20 VanDerWaalsContact C-N 3.26Å; L18-I20 PolarHBondContact O-N 3.43Å; I20-S22 PolarHBondContact O-N 3.25Å; I20-D23 PolarHBondContact O-N 2.9Å; I20-I26 HydrophobicContact CB-CB 3.82Å; I20-I26 HydrophobicContact CB-CD1 3.88Å; I20-I26 HydrophobicContact CB-CG1 4.45Å; I20-I26 HydrophobicContact CB-CG2 3.65Å; I20-I26 HydrophobicContact CD1-CB 4.3Å; I20-I26 HydrophobicContact CD1-CG2 3.86Å; I20-I26 HydrophobicContact CG1-CG2 4.31Å; I20-I26 HydrophobicContact CG2-CB 3.97Å; I20-I26 HydrophobicContact CG2-CD1 3.85Å; I20-I26 HydrophobicContact CG2-CG1 4.48Å; I20-I26 HydrophobicContact CG2-CG2 3.25Å; I20-F30 HydrophobicContact CD1-CD2 4.41Å
21S49.2Very low49.9Very low27 Ų2754 Ų5419%0.18930%0.298CS..THydrogen-bonded Turntrans-64.912-175.4730000115.9F17 L18 R70F17-S21 PolarHBondContact O-N 3.48Å; L18-S21 PolarHBondContact O-OG 2.92Å; S21-R70 PolarHBondContact O-NH1 3.45Å
22S49.6Very low50.1Low104 Ų10455.4 Ų55.473%0.72731%0.31SS*.THydrogen-bonded Turntrans-113.3-16.9175.651.80000115.4I20I20-S22 PolarHBondContact O-N 3.25Å
23D50.5Low50.4Low48 Ų4857.3 Ų57.326%0.25731%0.31SS..  trans-139.6121.4-175.1-164-32.3000113.5I20 R25 I26I20-D23 PolarHBondContact O-N 2.9Å; D23-R25 VanDerWaalsContact C-N 3.26Å; D23-R25 PolarHBondContact O-N 2.99Å; D23-R25 WeakPolarHBondContact OD1-CB 3.25Å; D23-R25 PolarHBondContact OD1-N 3.27Å; D23-R25 IonicContact OD1-NE 3.23Å; D23-R25 PolarHBondContact OD1-NE 3.24Å; D23-R25 IonicContact OD1-NH2 3.91Å; D23-R25 IonicContact OD2-CZ 3.5Å; D23-R25 IonicContact OD2-NE 3.38Å; D23-R25 PolarHBondContact OD2-NE 3.1Å; D23-R25 IonicContact OD2-NH2 2.81Å; D23-R25 PolarHBondContact OD2-NH2 2.95Å; D23-I26 HydrophobicContact CB-CD1 4.01Å; D23-I26 HydrophobicContact CB-CG1 4.2Å; D23-I26 PolarHBondContact O-N 3.33Å
24L51.1Low50.4Low45 Ų4556.8 Ų56.824%0.23631%0.308CS..Hα-helixtrans-61.2-29.9-178.7-161.964.8000113.7I26 I27 N28 W67L24-I26 PolarHBondContact O-N 3.33Å; L24-I27 HydrophobicContact CD1-CD1 4.03Å; L24-I27 WeakPolarHBondContact O-CB 3.39Å; L24-I27 PolarHBondContact O-N 3.34Å; L24-N28 PolarHBondContact O-N 3.22Å; L24-W67 HydrophobicContact CB-CD2 4.28Å; L24-W67 HydrophobicContact CB-CE3 4.34Å; L24-W67 HydrophobicContact CB-CH2 3.44Å; L24-W67 VanDerWaalsContact CB-CH2 3.44Å; L24-W67 HydrophobicContact CB-CZ2 3.47Å; L24-W67 VanDerWaalsContact CB-CZ2 3.47Å; L24-W67 HydrophobicContact CB-CZ3 3.91Å; L24-W67 HydrophobicContact CD1-CB 4.33Å; L24-W67 HydrophobicContact CD1-CD2 3.24Å; L24-W67 HydrophobicContact CD1-CE3 3.03Å; L24-W67 HydrophobicContact CD1-CG 3.82Å; L24-W67 HydrophobicContact CD1-CH2 3.77Å; L24-W67 HydrophobicContact CD1-CZ2 4.04Å; L24-W67 HydrophobicContact CD1-CZ3 3.27Å; L24-W67 HydrophobicContact CD2-CE3 4.15Å; L24-W67 HydrophobicContact CD2-CH2 3.72Å; L24-W67 HydrophobicContact CD2-CZ3 3.47Å; L24-W67 VanDerWaalsContact CD2-CZ3 3.47Å; L24-W67 HydrophobicContact CG-CD2 4.25Å; L24-W67 HydrophobicContact CG-CE3 3.97Å; L24-W67 HydrophobicContact CG-CH2 3.77Å; L24-W67 HydrophobicContact CG-CZ2 4.17Å; L24-W67 HydrophobicContact CG-CZ3 3.67Å
25R48.3Very low50.5Low168 Ų16858 Ų5863%0.63431%0.313SS*.Hα-helixtrans-58.3-35.7-178.8-75.6175.4-75.6-172.9-1.2110.7D23 I27 N28 D29D23-R25 VanDerWaalsContact C-N 3.26Å; D23-R25 PolarHBondContact O-N 2.99Å; D23-R25 WeakPolarHBondContact OD1-CB 3.25Å; D23-R25 PolarHBondContact OD1-N 3.27Å; D23-R25 IonicContact OD1-NE 3.23Å; D23-R25 PolarHBondContact OD1-NE 3.24Å; D23-R25 IonicContact OD1-NH2 3.91Å; D23-R25 IonicContact OD2-CZ 3.5Å; D23-R25 IonicContact OD2-NE 3.38Å; D23-R25 PolarHBondContact OD2-NE 3.1Å; D23-R25 IonicContact OD2-NH2 2.81Å; D23-R25 PolarHBondContact OD2-NH2 2.95Å; R25-I27 VanDerWaalsContact C-N 3.3Å; R25-I27 PolarHBondContact O-N 2.69Å; R25-N28 WeakPolarHBondContact O-CB 3.49Å; R25-N28 PolarHBondContact O-N 2.8Å; R25-D29 PolarHBondContact O-N 2.96Å; R25-D29 VanDerWaalsContact O-N 3.12Å
26I48.5Very low51.1Low47 Ų4758.4 Ų58.424%0.24132%0.316CS..Hα-helixtrans-72.2-27.4-178.9-43.9172.8000111.6Y16 I20 D23 L24 D29 F30Y16-I26 HydrophobicContact CE1-CG2 3.8Å; I20-I26 HydrophobicContact CB-CB 3.82Å; I20-I26 HydrophobicContact CB-CD1 3.88Å; I20-I26 HydrophobicContact CB-CG1 4.45Å; I20-I26 HydrophobicContact CB-CG2 3.65Å; I20-I26 HydrophobicContact CD1-CB 4.3Å; I20-I26 HydrophobicContact CD1-CG2 3.86Å; I20-I26 HydrophobicContact CG1-CG2 4.31Å; I20-I26 HydrophobicContact CG2-CB 3.97Å; I20-I26 HydrophobicContact CG2-CD1 3.85Å; I20-I26 HydrophobicContact CG2-CG1 4.48Å; I20-I26 HydrophobicContact CG2-CG2 3.25Å; D23-I26 HydrophobicContact CB-CD1 4.01Å; D23-I26 HydrophobicContact CB-CG1 4.2Å; D23-I26 PolarHBondContact O-N 3.33Å; L24-I26 PolarHBondContact O-N 3.33Å; I26-D29 PolarHBondContact O-N 3.34Å; I26-F30 WeakPolarHBondContact O-CB 3.49Å; I26-F30 PolarHBondContact O-N 3.04Å; I26-F30 VanDerWaalsContact O-N 3.09Å
27I49.6Very low51.5Low2 Ų256.7 Ų56.71%0.0131%0.311CS..Hα-helixtrans-69.6-34.3170.6-60.3175.1000111L24 R25 F30 R64 W67L24-I27 HydrophobicContact CD1-CD1 4.03Å; L24-I27 WeakPolarHBondContact O-CB 3.39Å; L24-I27 PolarHBondContact O-N 3.34Å; R25-I27 VanDerWaalsContact C-N 3.3Å; R25-I27 PolarHBondContact O-N 2.69Å; I27-F30 WeakPolarHBondContact O-CB 3.2Å; I27-F30 PolarHBondContact O-N 3.44Å; I27-R64 HydrophobicContact CG2-CB 4.33Å; I27-R64 HydrophobicContact CG2-CG 4.08Å; I27-W67 HydrophobicContact CD1-CB 3.69Å; I27-W67 HydrophobicContact CD1-CG 3.78Å
28N49.8Very low51.6Low69 Ų6955.9 Ų55.937%0.36931%0.307SS..Hα-helixtrans-69.3-34.2176-73.7-17.8000112.3L24 R25 F30 P32 R64L24-N28 PolarHBondContact O-N 3.22Å; R25-N28 WeakPolarHBondContact O-CB 3.49Å; R25-N28 PolarHBondContact O-N 2.8Å; N28-F30 VanDerWaalsContact C-N 3.34Å; N28-P32 VanDerWaalsContact O-CD 3.24Å; N28-P32 WeakPolarHBondContact O-CD 3.3Å; N28-R64 VanDerWaalsContact OD1-CZ 3.25Å; N28-R64 PolarHBondContact OD1-NE 2.87Å; N28-R64 PolarHBondContact OD1-NH2 3.19Å
29D55.8Low52Low106 Ų10656.5 Ų56.557%0.56731%0.314SS*.Hα-helixtrans-80.7-17.1177.7-62.4-26.8000112.8R25 I26 P32 F33R25-D29 PolarHBondContact O-N 2.96Å; R25-D29 VanDerWaalsContact O-N 3.12Å; I26-D29 PolarHBondContact O-N 3.34Å; D29-P32 WeakPolarHBondContact O-CD 3.5Å; D29-F33 WeakPolarHBondContact O-CB 3.28Å; D29-F33 PolarHBondContact O-N 2.94Å; D29-F33 VanDerWaalsContact O-N 3.16Å
30F52.4Low52.7Low5 Ų557 Ų572%0.02231%0.314CS..Hα-helixtrans-66-38.4-177.8-176.2-99.5000114.2Q13 Y16 I20 I26 I27 N28 N34 L56 L63Q13-F30 HydrophobicContact CB-CZ 4.12Å; Q13-F30 HydrophobicContact CG-CZ 3.98Å; Y16-F30 AromaticContact CD1-CD2 3.81Å; Y16-F30 HydrophobicContact CD1-CD2 3.81Å; Y16-F30 HydrophobicContact CD1-CE2 4.09Å; Y16-F30 HydrophobicContact CE1-CD2 4.31Å; I20-F30 HydrophobicContact CD1-CD2 4.41Å; I26-F30 WeakPolarHBondContact O-CB 3.49Å; I26-F30 PolarHBondContact O-N 3.04Å; I26-F30 VanDerWaalsContact O-N 3.09Å; I27-F30 WeakPolarHBondContact O-CB 3.2Å; I27-F30 PolarHBondContact O-N 3.44Å; N28-F30 VanDerWaalsContact C-N 3.34Å; F30-N34 WeakPolarHBondContact CD2-ND2 3.49Å; F30-N34 WeakPolarHBondContact CE1-ND2 3.21Å; F30-N34 WeakPolarHBondContact CE2-ND2 3.49Å; F30-N34 WeakPolarHBondContact CZ-ND2 3.41Å; F30-N34 WeakPolarHBondContact O-CB 2.81Å; F30-N34 PolarHBondContact O-N 3.23Å; F30-N34 PolarHBondContact O-ND2 3.16Å; F30-L56 HydrophobicContact CE1-CD2 4.08Å; F30-L56 HydrophobicContact CZ-CD2 4.49Å; F30-L63 HydrophobicContact CE1-CD1 4.16Å; F30-L63 HydrophobicContact CZ-CD1 4.38Å
31V51.5Low53.4Low44 Ų4460.3 Ų60.327%0.26733%0.331SS..Hα-helixtrans-67.9-51.3-179.9177.40000111.3F33 N34 L35 S60V31-F33 VanDerWaalsContact C-N 3.32Å; V31-F33 PolarHBondContact O-N 3.39Å; V31-N34 PolarHBondContact O-N 2.97Å; V31-L35 HydrophobicContact CG1-CD1 3.64Å; V31-L35 HydrophobicContact CG1-CG 4.36Å; V31-L35 WeakPolarHBondContact O-CB 3.22Å; V31-L35 WeakPolarHBondContact O-CD1 3.45Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 3.23Å; V31-S60 WeakPolarHBondContact CG2-OG 3.4Å
32P55.1Low53.8Low76 Ų7660.8 Ų60.849%0.49434%0.34SS..Hα-helixtrans-56.5-44.4174.3-22.930.5000112.8N28 D29 L35 S36N28-P32 VanDerWaalsContact O-CD 3.24Å; N28-P32 WeakPolarHBondContact O-CD 3.3Å; D29-P32 WeakPolarHBondContact O-CD 3.5Å; P32-L35 PolarHBondContact O-N 3.43Å; P32-S36 WeakPolarHBondContact O-CB 3.46Å; P32-S36 PolarHBondContact O-N 3.41Å; P32-S36 PolarHBondContact O-OG 3.5Å
33F57.9Low54.1Low115 Ų11561.5 Ų61.550%0.50434%0.336SS..Hα-helixtrans-62.4-50.6-178.8179.2-97.6000111.9D29 V31 L35 S36 F37D29-F33 WeakPolarHBondContact O-CB 3.28Å; D29-F33 PolarHBondContact O-N 2.94Å; D29-F33 VanDerWaalsContact O-N 3.16Å; V31-F33 VanDerWaalsContact C-N 3.32Å; V31-F33 PolarHBondContact O-N 3.39Å; F33-L35 VanDerWaalsContact C-N 3.34Å; F33-L35 PolarHBondContact O-N 3.11Å; F33-S36 PolarHBondContact O-N 2.98Å; F33-S36 PolarHBondContact O-OG 3.04Å; F33-F37 WeakPolarHBondContact O-CB 3.36Å; F33-F37 PolarHBondContact O-N 3.31Å
34N54Low54.6Low8 Ų865.2 Ų65.24%0.04335%0.352CS..Hα-helixtrans-65.1-36.3179.3-90.4-68.5000113.1Q13 F30 V31 S36 F37 I38 L56Q13-N34 WeakPolarHBondContact CG-OD1 3.46Å; Q13-N34 PolarHBondContact NE2-OD1 3.24Å; Q13-N34 VanDerWaalsContact NE2-OD1 3.11Å; F30-N34 WeakPolarHBondContact CD2-ND2 3.49Å; F30-N34 WeakPolarHBondContact CE1-ND2 3.21Å; F30-N34 WeakPolarHBondContact CE2-ND2 3.49Å; F30-N34 WeakPolarHBondContact CZ-ND2 3.41Å; F30-N34 WeakPolarHBondContact O-CB 2.81Å; F30-N34 PolarHBondContact O-N 3.23Å; F30-N34 PolarHBondContact O-ND2 3.16Å; V31-N34 PolarHBondContact O-N 2.97Å; N34-S36 VanDerWaalsContact C-N 3.35Å; N34-F37 PolarHBondContact O-N 2.91Å; N34-I38 WeakPolarHBondContact O-CB 3.43Å; N34-I38 PolarHBondContact O-N 3.48Å; N34-L56 HydrophobicContact CB-CD1 3.79Å; N34-L56 HydrophobicContact CB-CD2 3.65Å; N34-L56 HydrophobicContact CB-CG 4.33Å
35L54.7Low55Low55 Ų5567.7 Ų67.729%0.28837%0.373SS..Hα-helixtrans-62.5-43.2173.2-76.1167.9000111.1V31 P32 F33 I38 S39 I53V31-L35 HydrophobicContact CG1-CD1 3.64Å; V31-L35 HydrophobicContact CG1-CG 4.36Å; V31-L35 WeakPolarHBondContact O-CB 3.22Å; V31-L35 WeakPolarHBondContact O-CD1 3.45Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 3.23Å; P32-L35 PolarHBondContact O-N 3.43Å; F33-L35 VanDerWaalsContact C-N 3.34Å; F33-L35 PolarHBondContact O-N 3.11Å; L35-I38 PolarHBondContact O-N 3.01Å; L35-S39 WeakPolarHBondContact O-CB 3.23Å; L35-S39 PolarHBondContact O-N 3.47Å; L35-S39 PolarHBondContact O-OG 2.86Å; L35-I53 HydrophobicContact CD2-CB 4.49Å; L35-I53 HydrophobicContact CD2-CD1 3.74Å; L35-I53 HydrophobicContact CD2-CG1 4.04Å; L35-I53 HydrophobicContact CD2-CG2 3.79Å
36S60.3Low55.4Low63 Ų6361.9 Ų61.944%0.44136%0.358SS..Hα-helixtrans-65.8-39.1176.777.50000112.7P32 F33 N34 S39 S40P32-S36 WeakPolarHBondContact O-CB 3.46Å; P32-S36 PolarHBondContact O-N 3.41Å; P32-S36 PolarHBondContact O-OG 3.5Å; F33-S36 PolarHBondContact O-N 2.98Å; F33-S36 PolarHBondContact O-OG 3.04Å; N34-S36 VanDerWaalsContact C-N 3.35Å; S36-S39 VanDerWaalsContact C-OG 3.31Å; S36-S39 WeakPolarHBondContact CA-OG 3.37Å; S36-S39 PolarHBondContact O-OG 2.7Å; S36-S40 WeakPolarHBondContact O-CB 3.18Å; S36-S40 PolarHBondContact O-N 3.31Å
37F56.7Low55.8Low71 Ų7164.4 Ų64.431%0.31138%0.38SS..Hα-helixtrans-68.5-41.7177.8179.4-107.8000111.1F33 N34 S40 L41F33-F37 WeakPolarHBondContact O-CB 3.36Å; F33-F37 PolarHBondContact O-N 3.31Å; N34-F37 PolarHBondContact O-N 2.91Å; F37-S40 WeakPolarHBondContact O-CB 3.27Å; F37-S40 PolarHBondContact O-N 3.49Å; F37-S40 PolarHBondContact O-OG 3.18Å; F37-L41 HydrophobicContact CD1-CD1 3.96Å; F37-L41 HydrophobicContact CE1-CD1 3.58Å; F37-L41 HydrophobicContact CE1-CG 4.25Å; F37-L41 HydrophobicContact CZ-CD1 4.13Å; F37-L41 HydrophobicContact CZ-CD2 4.29Å; F37-L41 HydrophobicContact CZ-CG 4.38Å; F37-L41 WeakPolarHBondContact O-CG 3.44Å; F37-L41 PolarHBondContact O-N 2.91Å
38I52.4Low55.9Low5 Ų567.7 Ų67.73%0.02640%0.397CS..Hα-helixtrans-72.7-42179-77.8167.2000112.7N34 L35 S40 L41 F49 T52 I53 L56N34-I38 WeakPolarHBondContact O-CB 3.43Å; N34-I38 PolarHBondContact O-N 3.48Å; L35-I38 PolarHBondContact O-N 3.01Å; I38-S40 PolarHBondContact O-N 3.06Å; I38-L41 HydrophobicContact CG1-CD1 4.15Å; I38-L41 WeakPolarHBondContact O-CA 3.46Å; I38-L41 WeakPolarHBondContact O-CB 3.23Å; I38-L41 PolarHBondContact O-N 2.69Å; I38-F49 HydrophobicContact CB-CE2 4.49Å; I38-F49 HydrophobicContact CG2-CD2 3.6Å; I38-F49 HydrophobicContact CG2-CE2 3.39Å; I38-F49 HydrophobicContact CG2-CG 4.28Å; I38-F49 HydrophobicContact CG2-CZ 3.86Å; I38-F49 WeakPolarHBondContact O-CE2 3.46Å; I38-T52 HydrophobicContact CD1-CG2 3.59Å; I38-T52 HydrophobicContact CG1-CG2 4.42Å; I38-I53 HydrophobicContact CG2-CD1 4.39Å; I38-I53 HydrophobicContact CG2-CG1 3.89Å; I38-L56 HydrophobicContact CD1-CD1 2.9Å; I38-L56 HydrophobicContact CD1-CG 4.31Å; I38-L56 HydrophobicContact CG1-CD1 4.23Å
39S57.4Low56.2Low47 Ų4765.4 Ų65.433%0.32938%0.384SS..Hα-helixtrans-53.7-33.7168.746.10000111.6L35 S36 L41 E44L35-S39 WeakPolarHBondContact O-CB 3.23Å; L35-S39 PolarHBondContact O-N 3.47Å; L35-S39 PolarHBondContact O-OG 2.86Å; S36-S39 VanDerWaalsContact C-OG 3.31Å; S36-S39 WeakPolarHBondContact CA-OG 3.37Å; S36-S39 PolarHBondContact O-OG 2.7Å; S39-L41 VanDerWaalsContact C-N 3.35Å; S39-L41 PolarHBondContact O-N 3.43Å; S39-E44 WeakPolarHBondContact CB-OE1 3.02Å
40S59.5Low56.2Low86 Ų8663.7 Ų63.760%0.60138%0.38SS*.Hα-helixtrans-72.7-19.4173.185.40000115.3S36 F37 I38 G42S36-S40 WeakPolarHBondContact O-CB 3.18Å; S36-S40 PolarHBondContact O-N 3.31Å; F37-S40 WeakPolarHBondContact O-CB 3.27Å; F37-S40 PolarHBondContact O-N 3.49Å; F37-S40 PolarHBondContact O-OG 3.18Å; I38-S40 PolarHBondContact O-N 3.06Å; S40-G42 VanDerWaalsContact C-N 3.29Å; S40-G42 PolarHBondContact O-N 2.94Å
41L56.3Low56.4Low75 Ų7566.7 Ų66.739%0.39340%0.401SS..THydrogen-bonded Turntrans-81-3.3180-72.2170.4000113.9M1 F37 I38 S39M1-L41 HydrophobicContact CE-CD1 3.82Å; F37-L41 HydrophobicContact CD1-CD1 3.96Å; F37-L41 HydrophobicContact CE1-CD1 3.58Å; F37-L41 HydrophobicContact CE1-CG 4.25Å; F37-L41 HydrophobicContact CZ-CD1 4.13Å; F37-L41 HydrophobicContact CZ-CD2 4.29Å; F37-L41 HydrophobicContact CZ-CG 4.38Å; F37-L41 WeakPolarHBondContact O-CG 3.44Å; F37-L41 PolarHBondContact O-N 2.91Å; I38-L41 HydrophobicContact CG1-CD1 4.15Å; I38-L41 WeakPolarHBondContact O-CA 3.46Å; I38-L41 WeakPolarHBondContact O-CB 3.23Å; I38-L41 PolarHBondContact O-N 2.69Å; S39-L41 VanDerWaalsContact C-N 3.35Å; S39-L41 PolarHBondContact O-N 3.43Å
42G58.7Low56.5Low38 Ų3865.8 Ų65.839%0.39240%0.396SS..SBendtrans113-175.6167.100000115.7S40 E44 F49S40-G42 VanDerWaalsContact C-N 3.29Å; S40-G42 PolarHBondContact O-N 2.94Å; G42-E44 PolarHBondContact O-N 3.42Å; G42-F49 VanDerWaalsContact O-CD2 3.3Å; G42-F49 WeakPolarHBondContact O-CD2 3.26Å; G42-F49 WeakPolarHBondContact O-CE2 3.49Å
43D55.4Low56.6Low119 Ų11963.7 Ų63.764%0.63638%0.38SS*.  trans-24.2101.1-160.1-150-17.2000116.4S45 S46D43-S45 PolarHBondContact O-N 3.03Å; D43-S45 PolarHBondContact OD1-N 3.26Å; D43-S45 PolarHBondContact OD1-OG 3.42Å; D43-S45 PolarHBondContact OD2-OG 3.39Å; D43-S46 PolarHBondContact O-N 2.94Å; D43-S46 PolarHBondContact O-OG 3.47Å
44E62Low56.4Low125 Ų12561.2 Ų61.258%0.58438%0.378SS*.THydrogen-bonded Turntrans-60.5-18.7-178.1-53.6-166148.300112.8S39 G42 S46 F49S39-E44 WeakPolarHBondContact CB-OE1 3.02Å; G42-E44 PolarHBondContact O-N 3.42Å; E44-S46 VanDerWaalsContact C-N 3.27Å; E44-S46 PolarHBondContact O-N 2.92Å; E44-F49 HydrophobicContact CB-CD1 4.1Å; E44-F49 HydrophobicContact CB-CE1 3.73Å; E44-F49 HydrophobicContact CB-CE2 4.38Å; E44-F49 HydrophobicContact CB-CZ 3.92Å; E44-F49 HydrophobicContact CG-CE1 3.91Å; E44-F49 HydrophobicContact CG-CE2 3.98Å; E44-F49 HydrophobicContact CG-CZ 3.56Å; E44-F49 WeakPolarHBondContact O-CD1 3.35Å
45S57.8Low56.5Low98 Ų9864.1 Ų64.169%0.68540%0.398SS*.THydrogen-bonded Turntrans-75.4-12.4178.267.80000113.7D43D43-S45 PolarHBondContact O-N 3.03Å; D43-S45 PolarHBondContact OD1-N 3.26Å; D43-S45 PolarHBondContact OD1-OG 3.42Å; D43-S45 PolarHBondContact OD2-OG 3.39Å
46S57.3Low56.7Low46 Ų4661.9 Ų61.932%0.32239%0.387SS..SBendtrans-75.9137.2-177.379.70000112.2D43 E44 I48 F49 S50D43-S46 PolarHBondContact O-N 2.94Å; D43-S46 PolarHBondContact O-OG 3.47Å; E44-S46 VanDerWaalsContact C-N 3.27Å; E44-S46 PolarHBondContact O-N 2.92Å; S46-I48 PolarHBondContact O-N 3.23Å; S46-I48 VanDerWaalsContact O-N 3.09Å; S46-F49 WeakPolarHBondContact O-CA 3.15Å; S46-F49 VanDerWaalsContact O-CB 3.27Å; S46-F49 WeakPolarHBondContact O-CB 3.23Å; S46-F49 PolarHBondContact O-N 2.82Å; S46-F49 WeakPolarHBondContact OG-CB 3.43Å; S46-F49 PolarHBondContact OG-N 3.26Å; S46-S50 PolarHBondContact O-N 3.02Å
47S56.3Low56.3Low100 Ų10063.6 Ų63.670%0.69939%0.388SS*.Hα-helixtrans-57-27.4175.257.70000112.8S51S47-S51 VanDerWaalsContact O-CB 3.29Å; S47-S51 WeakPolarHBondContact O-CB 3.3Å; S47-S51 PolarHBondContact O-N 2.96Å
48I52.7Low56.3Low71 Ų7167 Ų6736%0.36440%0.403SS..Hα-helixtrans-68.3-40.5175.3-61.8172.8000110.7M1 S46 T52M1-I48 HydrophobicContact CB-CG2 4.28Å; S46-I48 PolarHBondContact O-N 3.23Å; S46-I48 VanDerWaalsContact O-N 3.09Å; I48-T52 WeakPolarHBondContact O-CB 3.29Å; I48-T52 PolarHBondContact O-N 2.59Å; I48-T52 PolarHBondContact O-OG1 3.42Å
49F56.7Low56.7Low21 Ų2167.6 Ų67.69%0.09241%0.405CS..Hα-helixtrans-63-49.9175.4-175.7-88.5000111.3I38 G42 E44 S46 S51 T52 I53I38-F49 HydrophobicContact CB-CE2 4.49Å; I38-F49 HydrophobicContact CG2-CD2 3.6Å; I38-F49 HydrophobicContact CG2-CE2 3.39Å; I38-F49 HydrophobicContact CG2-CG 4.28Å; I38-F49 HydrophobicContact CG2-CZ 3.86Å; I38-F49 WeakPolarHBondContact O-CE2 3.46Å; G42-F49 VanDerWaalsContact O-CD2 3.3Å; G42-F49 WeakPolarHBondContact O-CD2 3.26Å; G42-F49 WeakPolarHBondContact O-CE2 3.49Å; E44-F49 HydrophobicContact CB-CD1 4.1Å; E44-F49 HydrophobicContact CB-CE1 3.73Å; E44-F49 HydrophobicContact CB-CE2 4.38Å; E44-F49 HydrophobicContact CB-CZ 3.92Å; E44-F49 HydrophobicContact CG-CE1 3.91Å; E44-F49 HydrophobicContact CG-CE2 3.98Å; E44-F49 HydrophobicContact CG-CZ 3.56Å; E44-F49 WeakPolarHBondContact O-CD1 3.35Å; S46-F49 WeakPolarHBondContact O-CA 3.15Å; S46-F49 VanDerWaalsContact O-CB 3.27Å; S46-F49 WeakPolarHBondContact O-CB 3.23Å; S46-F49 PolarHBondContact O-N 2.82Å; S46-F49 WeakPolarHBondContact OG-CB 3.43Å; S46-F49 PolarHBondContact OG-N 3.26Å; F49-S51 VanDerWaalsContact C-N 3.33Å; F49-S51 PolarHBondContact O-N 2.82Å; F49-T52 PolarHBondContact O-N 3.11Å; F49-T52 VanDerWaalsContact O-N 3.1Å; F49-I53 HydrophobicContact CD1-CD1 3.81Å; F49-I53 HydrophobicContact CD1-CG1 4.25Å; F49-I53 HydrophobicContact CE1-CD1 3.16Å; F49-I53 HydrophobicContact CE1-CG1 4.02Å; F49-I53 HydrophobicContact CZ-CD1 3.66Å; F49-I53 HydrophobicContact CZ-CG1 4.45Å; F49-I53 PolarHBondContact O-N 3.36Å
50S56.1Low56.6Low70 Ų7065.7 Ų65.749%0.4939%0.391SS..Hα-helixtrans-60.1-41.9177.7-177.20000112.5S46 S54S46-S50 PolarHBondContact O-N 3.02Å; S50-S54 WeakPolarHBondContact O-CB 3.41Å; S50-S54 PolarHBondContact O-N 3.29Å; S50-S54 PolarHBondContact O-OG 3.34Å
51S55.1Low56.3Low67 Ų6765.8 Ų65.847%0.46939%0.389SS..Hα-helixtrans-60.2-45.6172.7159.70000111.7S47 F49 S54 S55S47-S51 VanDerWaalsContact O-CB 3.29Å; S47-S51 WeakPolarHBondContact O-CB 3.3Å; S47-S51 PolarHBondContact O-N 2.96Å; F49-S51 VanDerWaalsContact C-N 3.33Å; F49-S51 PolarHBondContact O-N 2.82Å; S51-S54 PolarHBondContact O-N 2.99Å; S51-S55 PolarHBondContact O-N 3.07Å; S51-S55 PolarHBondContact O-OG 3.46Å; S51-S55 VanDerWaalsContact O-OG 3.07Å
52T54.1Low56.6Low25 Ų2565 Ų6515%0.15338%0.382CS..Hα-helixtrans-67.9-42-177.1-51.40000111.1I38 I48 F49 S55 L56I38-T52 HydrophobicContact CD1-CG2 3.59Å; I38-T52 HydrophobicContact CG1-CG2 4.42Å; I48-T52 WeakPolarHBondContact O-CB 3.29Å; I48-T52 PolarHBondContact O-N 2.59Å; I48-T52 PolarHBondContact O-OG1 3.42Å; F49-T52 PolarHBondContact O-N 3.11Å; F49-T52 VanDerWaalsContact O-N 3.1Å; T52-S55 PolarHBondContact O-N 3.45Å; T52-L56 WeakPolarHBondContact O-CB 3.15Å; T52-L56 PolarHBondContact O-N 2.9Å
53I56.9Low56.9Low32 Ų3263.4 Ų63.416%0.16436%0.364CS..Hα-helixtrans-60.7-46.6173.2-75.3-167.5000111.2L35 I38 F49 S55 L56 Q57L35-I53 HydrophobicContact CD2-CB 4.49Å; L35-I53 HydrophobicContact CD2-CD1 3.74Å; L35-I53 HydrophobicContact CD2-CG1 4.04Å; L35-I53 HydrophobicContact CD2-CG2 3.79Å; I38-I53 HydrophobicContact CG2-CD1 4.39Å; I38-I53 HydrophobicContact CG2-CG1 3.89Å; F49-I53 HydrophobicContact CD1-CD1 3.81Å; F49-I53 HydrophobicContact CD1-CG1 4.25Å; F49-I53 HydrophobicContact CE1-CD1 3.16Å; F49-I53 HydrophobicContact CE1-CG1 4.02Å; F49-I53 HydrophobicContact CZ-CD1 3.66Å; F49-I53 HydrophobicContact CZ-CG1 4.45Å; F49-I53 PolarHBondContact O-N 3.36Å; I53-S55 VanDerWaalsContact C-N 3.35Å; I53-S55 PolarHBondContact O-N 3.16Å; I53-L56 WeakPolarHBondContact O-CB 3.03Å; I53-L56 PolarHBondContact O-N 2.92Å; I53-L56 VanDerWaalsContact O-N 3.11Å; I53-Q57 HydrophobicContact CG2-CG 4.35Å; I53-Q57 PolarHBondContact O-N 3.38Å
54S55Low56.8Low64 Ų6463.4 Ų63.445%0.44836%0.355SS..Hα-helixtrans-60.2-45.2179-66.30000111.7S50 S51 L56 Q57 F58S50-S54 WeakPolarHBondContact O-CB 3.41Å; S50-S54 PolarHBondContact O-N 3.29Å; S50-S54 PolarHBondContact O-OG 3.34Å; S51-S54 PolarHBondContact O-N 2.99Å; S54-L56 PolarHBondContact O-N 3.43Å; S54-Q57 PolarHBondContact O-N 3.19Å; S54-F58 WeakPolarHBondContact O-CB 3.18Å; S54-F58 PolarHBondContact O-N 3.29Å
55S54.5Low56.6Low68 Ų6864.5 Ų64.548%0.47636%0.359SS..Hα-helixtrans-60-35.5175.7-63.70000112.1S51 T52 I53 F59S51-S55 PolarHBondContact O-N 3.07Å; S51-S55 PolarHBondContact O-OG 3.46Å; S51-S55 VanDerWaalsContact O-OG 3.07Å; T52-S55 PolarHBondContact O-N 3.45Å; I53-S55 VanDerWaalsContact C-N 3.35Å; I53-S55 PolarHBondContact O-N 3.16Å; S55-F59 VanDerWaalsContact O-CB 3.3Å; S55-F59 WeakPolarHBondContact O-CB 3.34Å; S55-F59 PolarHBondContact O-N 3.22Å
56L58.9Low56.6Low9 Ų960.2 Ų60.25%0.04733%0.328CS..Hα-helixtrans-75-42.2178.6-105.7166000114.9Q13 F30 N34 I38 T52 I53 S54 F58 F59 S60Q13-L56 HydrophobicContact CG-CD2 4.26Å; F30-L56 HydrophobicContact CE1-CD2 4.08Å; F30-L56 HydrophobicContact CZ-CD2 4.49Å; N34-L56 HydrophobicContact CB-CD1 3.79Å; N34-L56 HydrophobicContact CB-CD2 3.65Å; N34-L56 HydrophobicContact CB-CG 4.33Å; I38-L56 HydrophobicContact CD1-CD1 2.9Å; I38-L56 HydrophobicContact CD1-CG 4.31Å; I38-L56 HydrophobicContact CG1-CD1 4.23Å; T52-L56 WeakPolarHBondContact O-CB 3.15Å; T52-L56 PolarHBondContact O-N 2.9Å; I53-L56 WeakPolarHBondContact O-CB 3.03Å; I53-L56 PolarHBondContact O-N 2.92Å; I53-L56 VanDerWaalsContact O-N 3.11Å; S54-L56 PolarHBondContact O-N 3.43Å; L56-F58 VanDerWaalsContact C-N 3.26Å; L56-F58 PolarHBondContact O-N 3.08Å; L56-F59 PolarHBondContact O-N 3.1Å; L56-S60 WeakPolarHBondContact O-CB 3.32Å; L56-S60 PolarHBondContact O-N 3.46Å
57Q53Low56.7Low98 Ų9860 Ų6046%0.45832%0.32SS..Hα-helixtrans-60.5-43.8172.8-74.6-177.3-25.700109.6I53 S54 S60 V61I53-Q57 HydrophobicContact CG2-CG 4.35Å; I53-Q57 PolarHBondContact O-N 3.38Å; S54-Q57 PolarHBondContact O-N 3.19Å; Q57-S60 PolarHBondContact O-N 2.9Å; Q57-V61 WeakPolarHBondContact O-CG2 3.17Å; Q57-V61 PolarHBondContact O-N 3.49Å
58F56Low56.7Low144 Ų14459.6 Ų59.663%0.63231%0.31SS*.Hα-helixtrans-60.3-48.2173.9-175.4-92.3000111.7S54 L56 S60 V61 F62S54-F58 WeakPolarHBondContact O-CB 3.18Å; S54-F58 PolarHBondContact O-N 3.29Å; L56-F58 VanDerWaalsContact C-N 3.26Å; L56-F58 PolarHBondContact O-N 3.08Å; F58-S60 VanDerWaalsContact C-N 3.34Å; F58-S60 PolarHBondContact O-N 3.45Å; F58-V61 PolarHBondContact O-N 3.39Å; F58-F62 VanDerWaalsContact O-CB 3.26Å; F58-F62 WeakPolarHBondContact O-CB 3.29Å; F58-F62 PolarHBondContact O-N 3.39Å
59F61.6Low56.9Low17 Ų1760.9 Ų60.98%0.07531%0.314CS..Hα-helixtrans-59.8-45.2179.1-161.5-108000111S55 L56 V61 F62 L63 V85S55-F59 VanDerWaalsContact O-CB 3.3Å; S55-F59 WeakPolarHBondContact O-CB 3.34Å; S55-F59 PolarHBondContact O-N 3.22Å; L56-F59 PolarHBondContact O-N 3.1Å; F59-V61 PolarHBondContact O-N 3.44Å; F59-F62 WeakPolarHBondContact O-CB 3.4Å; F59-F62 PolarHBondContact O-N 3.29Å; F59-L63 HydrophobicContact CD1-CD1 3.62Å; F59-L63 HydrophobicContact CD1-CD2 4.37Å; F59-L63 HydrophobicContact CD1-CG 3.92Å; F59-L63 HydrophobicContact CE1-CD1 3.57Å; F59-L63 HydrophobicContact CE1-CD2 3.86Å; F59-L63 HydrophobicContact CE1-CG 3.87Å; F59-L63 HydrophobicContact CZ-CD2 3.99Å; F59-L63 HydrophobicContact CZ-CG 4.43Å; F59-L63 VanDerWaalsContact O-CG 3.23Å; F59-L63 WeakPolarHBondContact O-CG 3.37Å; F59-L63 PolarHBondContact O-N 3.43Å; F59-V85 HydrophobicContact CE2-CG1 3.83Å; F59-V85 HydrophobicContact CZ-CG1 4.48Å
60S54.7Low56.8Low6 Ų663.7 Ų63.74%0.04232%0.324CS..Hα-helixtrans-61.5-47176.5171.90000113.3V31 L56 Q57 F58 F62 L63 R64V31-S60 WeakPolarHBondContact CG2-OG 3.4Å; L56-S60 WeakPolarHBondContact O-CB 3.32Å; L56-S60 PolarHBondContact O-N 3.46Å; Q57-S60 PolarHBondContact O-N 2.9Å; F58-S60 VanDerWaalsContact C-N 3.34Å; F58-S60 PolarHBondContact O-N 3.45Å; S60-F62 PolarHBondContact O-N 2.86Å; S60-L63 PolarHBondContact O-N 3.11Å; S60-R64 WeakPolarHBondContact O-CB 3.3Å; S60-R64 PolarHBondContact O-N 2.97Å
61V54Low56.8Low89 Ų8965.6 Ų65.654%0.53933%0.329SS..Hα-helixtrans-59.4-42.8177170.50000110.2Q57 F58 F59 R64 F65Q57-V61 WeakPolarHBondContact O-CG2 3.17Å; Q57-V61 PolarHBondContact O-N 3.49Å; F58-V61 PolarHBondContact O-N 3.39Å; F59-V61 PolarHBondContact O-N 3.44Å; V61-R64 WeakPolarHBondContact O-CB 3.26Å; V61-R64 PolarHBondContact O-N 3.2Å; V61-F65 PolarHBondContact O-N 3.19Å
62F61.8Low56.9Low58 Ų5867.3 Ų67.325%0.25434%0.34SS..Hα-helixtrans-59.5-50.7175.4177.4-94000111.5F58 F59 S60 R64 F65 V66 L81 V85F58-F62 VanDerWaalsContact O-CB 3.26Å; F58-F62 WeakPolarHBondContact O-CB 3.29Å; F58-F62 PolarHBondContact O-N 3.39Å; F59-F62 WeakPolarHBondContact O-CB 3.4Å; F59-F62 PolarHBondContact O-N 3.29Å; S60-F62 PolarHBondContact O-N 2.86Å; F62-R64 VanDerWaalsContact C-N 3.26Å; F62-R64 PolarHBondContact O-N 3.28Å; F62-F65 WeakPolarHBondContact O-CA 3.38Å; F62-F65 VanDerWaalsContact O-CB 3.27Å; F62-F65 WeakPolarHBondContact O-CB 3.47Å; F62-F65 PolarHBondContact O-N 3.11Å; F62-V66 HydrophobicContact CD1-CG2 3.99Å; F62-V66 HydrophobicContact CE1-CG2 3.81Å; F62-V66 HydrophobicContact CZ-CG2 4.32Å; F62-V66 WeakPolarHBondContact O-CG2 3.44Å; F62-V66 PolarHBondContact O-N 3.47Å; F62-L81 HydrophobicContact CE1-CD2 3.65Å; F62-L81 HydrophobicContact CE1-CG 4.37Å; F62-L81 HydrophobicContact CE2-CD2 3.81Å; F62-L81 HydrophobicContact CE2-CG 4.43Å; F62-L81 HydrophobicContact CZ-CD2 3.17Å; F62-L81 HydrophobicContact CZ-CG 3.67Å; F62-V85 HydrophobicContact CD1-CG2 4.4Å; F62-V85 HydrophobicContact CE1-CG2 3.43Å; F62-V85 VanDerWaalsContact CE1-CG2 3.43Å; F62-V85 HydrophobicContact CZ-CG2 3.6Å
63L64.1Low57.2Low4 Ų468.5 Ų68.52%0.02135%0.35CS..Hα-helixtrans-57.2-38.9177.3-68.6179.8000112.4F17 F30 F59 S60 F65 V66 W67F17-L63 HydrophobicContact CB-CD1 4.29Å; F17-L63 HydrophobicContact CD1-CD2 3.8Å; F17-L63 HydrophobicContact CD2-CB 4.14Å; F17-L63 HydrophobicContact CD2-CD1 3.33Å; F17-L63 HydrophobicContact CD2-CD2 3.34Å; F17-L63 HydrophobicContact CD2-CG 3.71Å; F17-L63 HydrophobicContact CE1-CD2 3.64Å; F17-L63 HydrophobicContact CE2-CB 3.74Å; F17-L63 HydrophobicContact CE2-CD1 3.83Å; F17-L63 HydrophobicContact CE2-CD2 3.16Å; F17-L63 HydrophobicContact CE2-CG 3.69Å; F17-L63 HydrophobicContact CG-CD1 3.93Å; F17-L63 HydrophobicContact CG-CD2 3.65Å; F17-L63 HydrophobicContact CG-CG 4.34Å; F17-L63 HydrophobicContact CZ-CB 4.49Å; F17-L63 HydrophobicContact CZ-CD2 3.32Å; F17-L63 HydrophobicContact CZ-CG 4.32Å; F30-L63 HydrophobicContact CE1-CD1 4.16Å; F30-L63 HydrophobicContact CZ-CD1 4.38Å; F59-L63 HydrophobicContact CD1-CD1 3.62Å; F59-L63 HydrophobicContact CD1-CD2 4.37Å; F59-L63 HydrophobicContact CD1-CG 3.92Å; F59-L63 HydrophobicContact CE1-CD1 3.57Å; F59-L63 HydrophobicContact CE1-CD2 3.86Å; F59-L63 HydrophobicContact CE1-CG 3.87Å; F59-L63 HydrophobicContact CZ-CD2 3.99Å; F59-L63 HydrophobicContact CZ-CG 4.43Å; F59-L63 VanDerWaalsContact O-CG 3.23Å; F59-L63 WeakPolarHBondContact O-CG 3.37Å; F59-L63 PolarHBondContact O-N 3.43Å; S60-L63 PolarHBondContact O-N 3.11Å; L63-F65 VanDerWaalsContact C-N 3.33Å; L63-V66 PolarHBondContact O-N 2.84Å; L63-W67 WeakPolarHBondContact O-CB 3.37Å; L63-W67 PolarHBondContact O-N 3.49Å
64R55.1Low57Low119 Ų11970.5 Ų70.545%0.44938%0.378SS..Hα-helixtrans-63.8-40.2175.7-139.4168.2-173.1-166.2-1111.5I27 N28 S60 V61 F62 W67 L68I27-R64 HydrophobicContact CG2-CB 4.33Å; I27-R64 HydrophobicContact CG2-CG 4.08Å; N28-R64 VanDerWaalsContact OD1-CZ 3.25Å; N28-R64 PolarHBondContact OD1-NE 2.87Å; N28-R64 PolarHBondContact OD1-NH2 3.19Å; S60-R64 WeakPolarHBondContact O-CB 3.3Å; S60-R64 PolarHBondContact O-N 2.97Å; V61-R64 WeakPolarHBondContact O-CB 3.26Å; V61-R64 PolarHBondContact O-N 3.2Å; F62-R64 VanDerWaalsContact C-N 3.26Å; F62-R64 PolarHBondContact O-N 3.28Å; R64-W67 PolarHBondContact O-N 3.04Å; R64-L68 WeakPolarHBondContact O-CB 3.48Å; R64-L68 VanDerWaalsContact O-CG 3.3Å; R64-L68 WeakPolarHBondContact O-CG 3.41Å; R64-L68 PolarHBondContact O-N 2.85Å
65F56.3Low56.8Low149 Ų14971.6 Ų71.665%0.65438%0.382SS*.Hα-helixtrans-63.3-46.8173.5-114.6-79.2000112.1V61 F62 L63 W67 L68 E69V61-F65 PolarHBondContact O-N 3.19Å; F62-F65 WeakPolarHBondContact O-CA 3.38Å; F62-F65 VanDerWaalsContact O-CB 3.27Å; F62-F65 WeakPolarHBondContact O-CB 3.47Å; F62-F65 PolarHBondContact O-N 3.11Å; L63-F65 VanDerWaalsContact C-N 3.33Å; F65-W67 VanDerWaalsContact C-N 3.25Å; F65-W67 PolarHBondContact O-N 3.4Å; F65-L68 PolarHBondContact O-N 3.45Å; F65-E69 PolarHBondContact O-N 2.97Å
66V59.1Low56.6Low7 Ų771.7 Ų71.74%0.04238%0.383CS..Hα-helixtrans-56.6-44.6176.5-169.40000110.8F62 L63 E69 R70 L81F62-V66 HydrophobicContact CD1-CG2 3.99Å; F62-V66 HydrophobicContact CE1-CG2 3.81Å; F62-V66 HydrophobicContact CZ-CG2 4.32Å; F62-V66 WeakPolarHBondContact O-CG2 3.44Å; F62-V66 PolarHBondContact O-N 3.47Å; L63-V66 PolarHBondContact O-N 2.84Å; V66-E69 PolarHBondContact O-N 2.87Å; V66-R70 WeakPolarHBondContact O-CB 3.44Å; V66-R70 PolarHBondContact O-N 3.02Å; V66-L81 HydrophobicContact CB-CD2 4.03Å; V66-L81 HydrophobicContact CG1-CD2 3.92Å; V66-L81 HydrophobicContact CG2-CD2 3.13Å
67W59.4Low56Low41 Ų4172.3 Ų72.316%0.15539%0.386CS..Hα-helixtrans-67.9-42.6-178.3-172.496.7000112L24 I27 L63 R64 F65 E69 R70 L71L24-W67 HydrophobicContact CB-CD2 4.28Å; L24-W67 HydrophobicContact CB-CE3 4.34Å; L24-W67 HydrophobicContact CB-CH2 3.44Å; L24-W67 VanDerWaalsContact CB-CH2 3.44Å; L24-W67 HydrophobicContact CB-CZ2 3.47Å; L24-W67 VanDerWaalsContact CB-CZ2 3.47Å; L24-W67 HydrophobicContact CB-CZ3 3.91Å; L24-W67 HydrophobicContact CD1-CB 4.33Å; L24-W67 HydrophobicContact CD1-CD2 3.24Å; L24-W67 HydrophobicContact CD1-CE3 3.03Å; L24-W67 HydrophobicContact CD1-CG 3.82Å; L24-W67 HydrophobicContact CD1-CH2 3.77Å; L24-W67 HydrophobicContact CD1-CZ2 4.04Å; L24-W67 HydrophobicContact CD1-CZ3 3.27Å; L24-W67 HydrophobicContact CD2-CE3 4.15Å; L24-W67 HydrophobicContact CD2-CH2 3.72Å; L24-W67 HydrophobicContact CD2-CZ3 3.47Å; L24-W67 VanDerWaalsContact CD2-CZ3 3.47Å; L24-W67 HydrophobicContact CG-CD2 4.25Å; L24-W67 HydrophobicContact CG-CE3 3.97Å; L24-W67 HydrophobicContact CG-CH2 3.77Å; L24-W67 HydrophobicContact CG-CZ2 4.17Å; L24-W67 HydrophobicContact CG-CZ3 3.67Å; I27-W67 HydrophobicContact CD1-CB 3.69Å; I27-W67 HydrophobicContact CD1-CG 3.78Å; L63-W67 WeakPolarHBondContact O-CB 3.37Å; L63-W67 PolarHBondContact O-N 3.49Å; R64-W67 PolarHBondContact O-N 3.04Å; F65-W67 VanDerWaalsContact C-N 3.25Å; F65-W67 PolarHBondContact O-N 3.4Å; W67-E69 VanDerWaalsContact C-N 3.33Å; W67-E69 PolarHBondContact O-N 3.42Å; W67-R70 WeakPolarHBondContact O-CB 3.33Å; W67-R70 PolarHBondContact O-N 2.83Å; W67-L71 HydrophobicContact CD2-CG 4.31Å; W67-L71 HydrophobicContact CE3-CD1 3.87Å; W67-L71 HydrophobicContact CE3-CG 3.96Å; W67-L71 HydrophobicContact CH2-CD1 3.15Å; W67-L71 HydrophobicContact CH2-CD2 4.2Å; W67-L71 HydrophobicContact CH2-CG 3.73Å; W67-L71 HydrophobicContact CZ2-CD1 3.9Å; W67-L71 HydrophobicContact CZ2-CD2 4.11Å; W67-L71 HydrophobicContact CZ2-CG 3.98Å; W67-L71 HydrophobicContact CZ3-CD1 3.13Å; W67-L71 HydrophobicContact CZ3-CG 3.71Å; W67-L71 PolarHBondContact O-N 3.41Å
68L56.6Low55.7Low93 Ų9368.9 Ų68.949%0.48737%0.371SS..Hα-helixtrans-62.3-41.4175.7-75.7169.1000111.8R64 F65 R70 L71 S72R64-L68 WeakPolarHBondContact O-CB 3.48Å; R64-L68 VanDerWaalsContact O-CG 3.3Å; R64-L68 WeakPolarHBondContact O-CG 3.41Å; R64-L68 PolarHBondContact O-N 2.85Å; F65-L68 PolarHBondContact O-N 3.45Å; L68-R70 VanDerWaalsContact C-N 3.35Å; L68-L71 WeakPolarHBondContact O-CB 3.33Å; L68-L71 PolarHBondContact O-N 2.87Å; L68-S72 PolarHBondContact O-N 3.17Å
69E55.6Low54.9Low97 Ų9767.5 Ų67.545%0.45337%0.365SS..Hα-helixtrans-68.6-35.9177-154.2-159-169.500111.6F65 V66 W67 L71 S72 S73 I77F65-E69 PolarHBondContact O-N 2.97Å; V66-E69 PolarHBondContact O-N 2.87Å; W67-E69 VanDerWaalsContact C-N 3.33Å; W67-E69 PolarHBondContact O-N 3.42Å; E69-L71 VanDerWaalsContact C-N 3.31Å; E69-L71 PolarHBondContact O-N 2.63Å; E69-S72 PolarHBondContact O-N 2.99Å; E69-S72 PolarHBondContact O-OG 2.57Å; E69-S73 VanDerWaalsContact O-CB 3.31Å; E69-S73 WeakPolarHBondContact O-CB 3.42Å; E69-S73 PolarHBondContact O-N 2.82Å; E69-S73 PolarHBondContact O-OG 3.42Å; E69-I77 VanDerWaalsContact C-CD1 3.42Å; E69-I77 HydrophobicContact CB-CD1 3.72Å; E69-I77 VanDerWaalsContact CD-CD1 3.45Å; E69-I77 HydrophobicContact CG-CD1 3.56Å; E69-I77 WeakPolarHBondContact O-CD1 3.42Å; E69-I77 VanDerWaalsContact OE2-CD1 3.26Å; E69-I77 WeakPolarHBondContact OE2-CD1 3.34Å
70R54Low54Low80 Ų8070.2 Ų70.230%0.30238%0.384SS..Hα-helixtrans-58.6-42.6171.6-170.7-178.1-175.9176.86.3111.7S21 V66 W67 L68 G74S21-R70 PolarHBondContact O-NH1 3.45Å; V66-R70 WeakPolarHBondContact O-CB 3.44Å; V66-R70 PolarHBondContact O-N 3.02Å; W67-R70 WeakPolarHBondContact O-CB 3.33Å; W67-R70 PolarHBondContact O-N 2.83Å; L68-R70 VanDerWaalsContact C-N 3.35Å; R70-G74 PolarHBondContact O-N 3.47Å
71L56Low53.5Low111 Ų11171.5 Ų71.558%0.58139%0.39SS*.Hα-helixtrans-65.3-43.4174.8-79.2-164.9000112.8W67 L68 E69W67-L71 HydrophobicContact CD2-CG 4.31Å; W67-L71 HydrophobicContact CE3-CD1 3.87Å; W67-L71 HydrophobicContact CE3-CG 3.96Å; W67-L71 HydrophobicContact CH2-CD1 3.15Å; W67-L71 HydrophobicContact CH2-CD2 4.2Å; W67-L71 HydrophobicContact CH2-CG 3.73Å; W67-L71 HydrophobicContact CZ2-CD1 3.9Å; W67-L71 HydrophobicContact CZ2-CD2 4.11Å; W67-L71 HydrophobicContact CZ2-CG 3.98Å; W67-L71 HydrophobicContact CZ3-CD1 3.13Å; W67-L71 HydrophobicContact CZ3-CG 3.71Å; W67-L71 PolarHBondContact O-N 3.41Å; L68-L71 WeakPolarHBondContact O-CB 3.33Å; L68-L71 PolarHBondContact O-N 2.87Å; E69-L71 VanDerWaalsContact C-N 3.31Å; E69-L71 PolarHBondContact O-N 2.63Å
72S59.1Low52.9Low102 Ų10269.1 Ų69.171%0.71338%0.38SS*.Hα-helixtrans-74.5-34.3-173.381.30000112.8L68 E69L68-S72 PolarHBondContact O-N 3.17Å; E69-S72 PolarHBondContact O-N 2.99Å; E69-S72 PolarHBondContact O-OG 2.57Å
73S60.2Low51.9Low51 Ų5171.8 Ų71.836%0.35739%0.393SS..Hα-helixtrans-94.2-13.7-174.465.90000113.4E69 T75 I77E69-S73 VanDerWaalsContact O-CB 3.31Å; E69-S73 WeakPolarHBondContact O-CB 3.42Å; E69-S73 PolarHBondContact O-N 2.82Å; E69-S73 PolarHBondContact O-OG 3.42Å; S73-T75 VanDerWaalsContact CB-OG1 3.25Å; S73-T75 WeakPolarHBondContact CB-OG1 3.48Å; S73-T75 PolarHBondContact O-N 3.07Å; S73-T75 PolarHBondContact O-OG1 3.17Å; S73-T75 VanDerWaalsContact O-OG1 3.05Å; S73-T75 PolarHBondContact OG-N 3.27Å; S73-T75 PolarHBondContact OG-OG1 3.18Å; S73-T75 VanDerWaalsContact OG-OG1 3.1Å; S73-I77 WeakPolarHBondContact OG-CD1 3.39Å
74G53Low50.6Low73 Ų7380.2 Ų80.275%0.75342%0.424SS*.  trans60.13.3-170.500000113.9R70R70-G74 PolarHBondContact O-N 3.47Å
75T49.6Very low50Low87 Ų8775.5 Ų75.553%0.53441%0.409SS..SBendtrans-98.9137-176.9-00000108.9S73 I77S73-T75 VanDerWaalsContact CB-OG1 3.25Å; S73-T75 WeakPolarHBondContact CB-OG1 3.48Å; S73-T75 PolarHBondContact O-N 3.07Å; S73-T75 PolarHBondContact O-OG1 3.17Å; S73-T75 VanDerWaalsContact O-OG1 3.05Å; S73-T75 PolarHBondContact OG-N 3.27Å; S73-T75 PolarHBondContact OG-OG1 3.18Å; S73-T75 VanDerWaalsContact OG-OG1 3.1Å; T75-I77 WeakPolarHBondContact O-CG1 3.47Å; T75-I77 PolarHBondContact O-N 3.24Å
76S50.5Low49.2Very low71 Ų7171.4 Ų71.450%0.49740%0.396SS..  trans-69.582.5173.2-173.60000109.7I78S76-I78 PolarHBondContact O-N 2.96Å
77I46.6Very low48.2Very low22 Ų2275.8 Ų75.811%0.11342%0.423CS..THydrogen-bonded Turntrans-73.5-3178.5-59.1149000111.6E69 S73 T75 F79 P80 L81E69-I77 VanDerWaalsContact C-CD1 3.42Å; E69-I77 HydrophobicContact CB-CD1 3.72Å; E69-I77 VanDerWaalsContact CD-CD1 3.45Å; E69-I77 HydrophobicContact CG-CD1 3.56Å; E69-I77 WeakPolarHBondContact O-CD1 3.42Å; E69-I77 VanDerWaalsContact OE2-CD1 3.26Å; E69-I77 WeakPolarHBondContact OE2-CD1 3.34Å; S73-I77 WeakPolarHBondContact OG-CD1 3.39Å; T75-I77 WeakPolarHBondContact O-CG1 3.47Å; T75-I77 PolarHBondContact O-N 3.24Å; I77-F79 PolarHBondContact O-N 2.66Å; I77-F79 VanDerWaalsContact O-N 3.16Å; I77-P80 VanDerWaalsContact O-CD 3.3Å; I77-P80 WeakPolarHBondContact O-CD 3.39Å; I77-L81 HydrophobicContact CG2-CB 4.39Å; I77-L81 HydrophobicContact CG2-CD1 4.47Å; I77-L81 WeakPolarHBondContact O-CB 3.36Å; I77-L81 PolarHBondContact O-N 3.44Å
78I46Very low47.1Very low26 Ų2679.1 Ų79.113%0.13345%0.448CS..Hα-helixtrans-55.8-37.2177.7-62.4-172.2000110.8S76 A82S76-I78 PolarHBondContact O-N 2.96Å; I78-A82 WeakPolarHBondContact O-CB 3.27Å; I78-A82 PolarHBondContact O-N 3.32Å
79F39.8Very low46.2Very low115 Ų11579.4 Ų79.450%0.50445%0.445SS..Hα-helixtrans-70.2-55.5-173-144.1-95000113.7I77 L81 Q83 Y102I77-F79 PolarHBondContact O-N 2.66Å; I77-F79 VanDerWaalsContact O-N 3.16Å; F79-L81 PolarHBondContact O-N 3.41Å; F79-Q83 WeakPolarHBondContact O-CB 3.3Å; F79-Q83 PolarHBondContact O-N 2.97Å; F79-Q83 VanDerWaalsContact O-N 3.08Å; F79-Y102 AromaticContact CE2-CD2 3.83Å; F79-Y102 HydrophobicContact CE2-CD2 3.83Å; F79-Y102 AromaticContact CE2-CE2 3.46Å; F79-Y102 HydrophobicContact CE2-CE2 3.46Å; F79-Y102 VanDerWaalsContact CE2-CE2 3.46Å; F79-Y102 AromaticContact CZ-CD2 3.86Å; F79-Y102 HydrophobicContact CZ-CD2 3.86Å; F79-Y102 AromaticContact CZ-CE2 3.41Å; F79-Y102 HydrophobicContact CZ-CE2 3.41Å; F79-Y102 VanDerWaalsContact CZ-CE2 3.41Å
80P41.8Very low45Very low73 Ų7376 Ų7647%0.47444%0.436SS..Hα-helixtrans-66.3-30.2-179.1-19.933.5000112.6I77 R84I77-P80 VanDerWaalsContact O-CD 3.3Å; I77-P80 WeakPolarHBondContact O-CD 3.39Å; P80-R84 WeakPolarHBondContact O-CG 3.29Å; P80-R84 PolarHBondContact O-N 3.18Å
81L44.9Very low44.1Very low34 Ų3476.5 Ų76.518%0.17846%0.458CS..Hα-helixtrans-85.3-40.4-174.4-136.387000112.8F62 V66 I77 F79 Q83 R84 V85F62-L81 HydrophobicContact CE1-CD2 3.65Å; F62-L81 HydrophobicContact CE1-CG 4.37Å; F62-L81 HydrophobicContact CE2-CD2 3.81Å; F62-L81 HydrophobicContact CE2-CG 4.43Å; F62-L81 HydrophobicContact CZ-CD2 3.17Å; F62-L81 HydrophobicContact CZ-CG 3.67Å; V66-L81 HydrophobicContact CB-CD2 4.03Å; V66-L81 HydrophobicContact CG1-CD2 3.92Å; V66-L81 HydrophobicContact CG2-CD2 3.13Å; I77-L81 HydrophobicContact CG2-CB 4.39Å; I77-L81 HydrophobicContact CG2-CD1 4.47Å; I77-L81 WeakPolarHBondContact O-CB 3.36Å; I77-L81 PolarHBondContact O-N 3.44Å; F79-L81 PolarHBondContact O-N 3.41Å; L81-Q83 PolarHBondContact O-N 3.25Å; L81-R84 PolarHBondContact O-N 3.39Å; L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 3.07Å
82A41.1Very low43.2Very low39 Ų3980.2 Ų80.232%0.32247%0.472SS..Hα-helixtrans-62-36.4169.100000110.7I78 V85 T86I78-A82 WeakPolarHBondContact O-CB 3.27Å; I78-A82 PolarHBondContact O-N 3.32Å; A82-V85 PolarHBondContact O-N 3.42Å; A82-T86 PolarHBondContact O-N 2.95Å; A82-T86 PolarHBondContact O-OG1 3.35Å
83Q40.3Very low42Very low113 Ų11377.1 Ų77.153%0.52845%0.449SS..Hα-helixtrans-64.9-41.3173.3-157.1173.711.200111.4F79 L81 T86 T87F79-Q83 WeakPolarHBondContact O-CB 3.3Å; F79-Q83 PolarHBondContact O-N 2.97Å; F79-Q83 VanDerWaalsContact O-N 3.08Å; L81-Q83 PolarHBondContact O-N 3.25Å; Q83-T86 WeakPolarHBondContact CA-OG1 3.5Å; Q83-T86 PolarHBondContact O-OG1 2.89Å; Q83-T87 WeakPolarHBondContact O-CB 3.38Å; Q83-T87 PolarHBondContact O-N 3.1Å; Q83-T87 PolarHBondContact O-OG1 2.92Å
84R38.4Very low40.7Very low181 Ų18182.2 Ų82.268%0.68347%0.467SS*.Hα-helixtrans-65.1-42.3173.3-82.4179.6176.7-171.1-0.1112.9P80 L81 T87 V88P80-R84 WeakPolarHBondContact O-CG 3.29Å; P80-R84 PolarHBondContact O-N 3.18Å; L81-R84 PolarHBondContact O-N 3.39Å; R84-T87 PolarHBondContact O-N 3.22Å; R84-T87 VanDerWaalsContact O-N 3.17Å; R84-V88 WeakPolarHBondContact O-CB 3.28Å; R84-V88 VanDerWaalsContact O-CG2 3.28Å; R84-V88 WeakPolarHBondContact O-CG2 3.5Å; R84-V88 PolarHBondContact O-N 3.37Å
85V41.2Very low39.8Very low21 Ų2190.1 Ų90.113%0.12747%0.474CS..Hα-helixtrans-63.8-46.8175.7170.70000110.6F59 F62 L81 A82 T87 V88 F89F59-V85 HydrophobicContact CE2-CG1 3.83Å; F59-V85 HydrophobicContact CZ-CG1 4.48Å; F62-V85 HydrophobicContact CD1-CG2 4.4Å; F62-V85 HydrophobicContact CE1-CG2 3.43Å; F62-V85 VanDerWaalsContact CE1-CG2 3.43Å; F62-V85 HydrophobicContact CZ-CG2 3.6Å; L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 3.07Å; A82-V85 PolarHBondContact O-N 3.42Å; V85-T87 PolarHBondContact O-N 2.99Å; V85-V88 PolarHBondContact O-N 3.32Å; V85-F89 HydrophobicContact CG1-CD2 3.69Å; V85-F89 HydrophobicContact CG1-CE2 4.15Å; V85-F89 WeakPolarHBondContact O-CB 3.35Å; V85-F89 WeakPolarHBondContact O-CD2 3.38Å; V85-F89 PolarHBondContact O-N 3.43Å
86T39.3Very low39.2Very low63 Ų6390.5 Ų90.539%0.38748%0.477SS..Hα-helixtrans-66.6-23.1173.136.90000113.1A82 Q83 G90A82-T86 PolarHBondContact O-N 2.95Å; A82-T86 PolarHBondContact O-OG1 3.35Å; Q83-T86 WeakPolarHBondContact CA-OG1 3.5Å; Q83-T86 PolarHBondContact O-OG1 2.89Å; T86-G90 WeakPolarHBondContact O-CA 2.93Å; T86-G90 PolarHBondContact O-N 3.26Å
87T37.9Very low38.5Very low99 Ų9991.6 Ų91.661%0.60747%0.474SS*.Hα-helixtrans-76.6-38172.6-500000111.3Q83 R84 V85Q83-T87 WeakPolarHBondContact O-CB 3.38Å; Q83-T87 PolarHBondContact O-N 3.1Å; Q83-T87 PolarHBondContact O-OG1 2.92Å; R84-T87 PolarHBondContact O-N 3.22Å; R84-T87 VanDerWaalsContact O-N 3.17Å; V85-T87 PolarHBondContact O-N 2.99Å
88V36.6Very low37.9Very low111 Ų11193.3 Ų93.367%0.67349%0.491SS*.Hα-helixtrans-74.9-39.5178.6172.90000111.7R84 V85R84-V88 WeakPolarHBondContact O-CB 3.28Å; R84-V88 VanDerWaalsContact O-CG2 3.28Å; R84-V88 WeakPolarHBondContact O-CG2 3.5Å; R84-V88 PolarHBondContact O-N 3.37Å; V85-V88 PolarHBondContact O-N 3.32Å
89F37.7Very low37.3Very low98 Ų9899.8 Ų99.843%0.4352%0.518SS..Hα-helixtrans-96.5-31-179.3-72-81.5000113.6F10 V85 A91 Q92F10-F89 HydrophobicContact CE2-CB 4.25Å; F10-F89 HydrophobicContact CE2-CD1 4.08Å; F10-F89 HydrophobicContact CE2-CD2 4.49Å; F10-F89 HydrophobicContact CE2-CG 4.03Å; F10-F89 HydrophobicContact CZ-CB 3.83Å; F10-F89 HydrophobicContact CZ-CG 4.07Å; V85-F89 HydrophobicContact CG1-CD2 3.69Å; V85-F89 HydrophobicContact CG1-CE2 4.15Å; V85-F89 WeakPolarHBondContact O-CB 3.35Å; V85-F89 WeakPolarHBondContact O-CD2 3.38Å; V85-F89 PolarHBondContact O-N 3.43Å; F89-A91 VanDerWaalsContact C-N 3.28Å; F89-A91 PolarHBondContact O-N 3.05Å; F89-Q92 PolarHBondContact O-N 3.14Å
90G31.8Very low37Very low26 Ų26101 Ų10127%0.26852%0.523SS..THydrogen-bonded Turntrans-82.94.6-179.700000114.6T86 Q92 V93T86-G90 WeakPolarHBondContact O-CA 2.93Å; T86-G90 PolarHBondContact O-N 3.26Å; G90-Q92 PolarHBondContact O-N 3.27Å; G90-Q92 VanDerWaalsContact O-N 3.13Å; G90-V93 PolarHBondContact O-N 2.73Å; G90-V93 VanDerWaalsContact O-O 3.12Å
91A34.4Very low36.8Very low91 Ų91100.3 Ų100.375%0.75251%0.513SS*.THydrogen-bonded Turntrans-60.3-13.2159.700000112.3F89F89-A91 VanDerWaalsContact C-N 3.28Å; F89-A91 PolarHBondContact O-N 3.05Å
92Q36.9Very low36.3Very low188 Ų188104.3 Ų104.388%0.87953%0.527SS*.SBendtrans-112.2-8.6171.5-82.5-171.9-2400115.5F89 G90F89-Q92 PolarHBondContact O-N 3.14Å; G90-Q92 PolarHBondContact O-N 3.27Å; G90-Q92 VanDerWaalsContact O-N 3.13Å
93V34.8Very low36Very low38 Ų38108.7 Ų108.723%0.2354%0.541CS..SBendtrans-120.2111.3-175.6-177.70000108.8G90 R95G90-V93 PolarHBondContact O-N 2.73Å; G90-V93 VanDerWaalsContact O-O 3.12Å; V93-R95 PolarHBondContact O-N 3.39Å
94E32.6Very low35.7Very low158 Ų158108.3 Ų108.374%0.73854%0.542SS*.  trans-45.9134.1-173.1-68.3-177.9151.900113.3T96 Q97E94-T96 PolarHBondContact O-N 3.39Å; E94-Q97 PolarHBondContact O-N 2.8Å
95R33.2Very low35.5Very low238 Ų238103.2 Ų103.290%0.89853%0.528SS*.THydrogen-bonded Turntrans-46.2-14.4-178.7-76.3176.1170.8171-3116V93V93-R95 PolarHBondContact O-N 3.39Å
96T37.4Very low35.1Very low96 Ų96108.7 Ų108.759%0.58955%0.554SS**Hα-helixtrans-71.8-35.8-179-39.50000112.6E94E94-T96 PolarHBondContact O-N 3.39Å
97Q36Very low34.9Very low94 Ų94110 Ų11044%0.43957%0.566SS.*Hα-helixtrans-76.6-34.2-175-71.7-174.7-5.900113.3E94 K99 F100 F101E94-Q97 PolarHBondContact O-N 2.8Å; Q97-K99 PolarHBondContact O-N 3.23Å; Q97-F100 PolarHBondContact O-N 2.88Å; Q97-F101 PolarHBondContact O-N 3.17Å
98A33.8Very low34.7Very low57 Ų57115.1 Ų115.147%0.47159%0.589SS.*Hα-helixtrans-64.5-27.4176.900000112.9Y102A98-Y102 PolarHBondContact O-N 3.47Å
99K33.7Very low34.6Very low163 Ų163115.4 Ų115.471%0.70958%0.584SS**Hα-helixtrans-75.9-32.7179.6-142.2178.6-173.8-175.70112.5Q97 Y102 Q103Q97-K99 PolarHBondContact O-N 3.23Å; K99-Y102 PolarHBondContact O-N 3.24Å; K99-Q103 PolarHBondContact O-N 3.13Å
100F33.3Very low34.4Very low139 Ų139116.3 Ų116.361%0.6159%0.592SS**Hα-helixtrans-66.9-45.3175.2-113.2-83.4000111.5Q97 Y102 Q103 D104Q97-F100 PolarHBondContact O-N 2.88Å; F100-Y102 PolarHBondContact O-N 3.33Å; F100-Q103 PolarHBondContact O-N 2.75Å; F100-Q103 VanDerWaalsContact O-N 3.11Å; F100-D104 PolarHBondContact O-N 3.45Å
101F36.3Very low34.6Very low60 Ų60121.3 Ų121.326%0.26361%0.61SS.*Hα-helixtrans-57.9-33.9175.2-93.1-78.5000113.5S15 L18 Q97 L105S15-F101 VanDerWaalsContact OG-CE1 3.29Å; S15-F101 WeakPolarHBondContact OG-CE1 3.47Å; S15-F101 WeakPolarHBondContact OG-CZ 3.29Å; L18-F101 HydrophobicContact CD1-CD1 3.39Å; L18-F101 HydrophobicContact CD1-CE1 3.76Å; L18-F101 HydrophobicContact CD1-CG 4.3Å; Q97-F101 PolarHBondContact O-N 3.17Å; F101-L105 PolarHBondContact O-N 3.05Å
102Y34.8Very low34.6Very low118 Ų118123.1 Ų123.146%0.46360%0.602SS.*Hα-helixtrans-68.9-35.7177.8-174.3-93.6000113F79 A98 K99 F100 M106F79-Y102 AromaticContact CE2-CD2 3.83Å; F79-Y102 HydrophobicContact CE2-CD2 3.83Å; F79-Y102 AromaticContact CE2-CE2 3.46Å; F79-Y102 HydrophobicContact CE2-CE2 3.46Å; F79-Y102 VanDerWaalsContact CE2-CE2 3.46Å; F79-Y102 AromaticContact CZ-CD2 3.86Å; F79-Y102 HydrophobicContact CZ-CD2 3.86Å; F79-Y102 AromaticContact CZ-CE2 3.41Å; F79-Y102 HydrophobicContact CZ-CE2 3.41Å; F79-Y102 VanDerWaalsContact CZ-CE2 3.41Å; A98-Y102 PolarHBondContact O-N 3.47Å; K99-Y102 PolarHBondContact O-N 3.24Å; F100-Y102 PolarHBondContact O-N 3.33Å; Y102-M106 HydrophobicContact CE1-CG 4.36Å; Y102-M106 PolarHBondContact O-N 2.93Å
103Q34.9Very low34.4Very low131 Ų131119 Ų11961%0.61259%0.585SS**Hα-helixtrans-72.8-38.1178.3-77.6-175.1-3800112.2K99 F100 L105 M106 S107K99-Q103 PolarHBondContact O-N 3.13Å; F100-Q103 PolarHBondContact O-N 2.75Å; F100-Q103 VanDerWaalsContact O-N 3.11Å; Q103-L105 VanDerWaalsContact C-N 3.32Å; Q103-L105 PolarHBondContact O-N 3.17Å; Q103-M106 PolarHBondContact O-N 3.09Å; Q103-S107 PolarHBondContact O-N 2.96Å
104D35.4Very low34.4Very low104 Ų104124.4 Ų124.456%0.55661%0.609SS**Hα-helixtrans-71.1-25.4177.1-81.9-14.5000113.3F100 S107F100-D104 PolarHBondContact O-N 3.45Å; D104-S107 PolarHBondContact O-OG 2.66Å; D104-S107 VanDerWaalsContact O-OG 3.14Å
105L34.3Very low34.5Very low75 Ų75122 Ų12239%0.39360%0.599SS.*Hα-helixtrans-78.6-22.2175.4-109137.6000114.4L18 F101 Q103L18-L105 HydrophobicContact CB-CD1 4.12Å; L18-L105 HydrophobicContact CD1-CD1 3.67Å; L18-L105 HydrophobicContact CD2-CD1 3.59Å; L18-L105 HydrophobicContact CG-CD1 3.95Å; F101-L105 PolarHBondContact O-N 3.05Å; Q103-L105 VanDerWaalsContact C-N 3.32Å; Q103-L105 PolarHBondContact O-N 3.17Å
106M32.1Very low34.6Very low135 Ų135113.1 Ų113.167%0.66558%0.576SS**SBendtrans-92.2-6.6178.7-75.3-77.7152.300112.7Y102 Q103Y102-M106 HydrophobicContact CE1-CG 4.36Å; Y102-M106 PolarHBondContact O-N 2.93Å; Q103-M106 PolarHBondContact O-N 3.09Å
107S35.1Very low34.4Very low92 Ų92114.5 Ų114.564%0.64358%0.575SS**  trans-99.2-1.4176.864.60000114.1Q103 D104Q103-S107 PolarHBondContact O-N 2.96Å; D104-S107 PolarHBondContact O-OG 2.66Å; D104-S107 VanDerWaalsContact O-OG 3.14Å
108L33.2Very low34.3Very low206 Ų206116.4 Ų116.4100%1.07959%0.588SS**  trans-95.40169-77.3163.8000110.9

Retrieved 108 of 108 residues in 110.3 ms (Link to these results)

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