A0A5K4F7S4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F7S4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 87 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
1M63.1Low76.8Confident109 Ų10977.9 Ų77.954%0.53740%0.398SS..  0-430-153.1160.55600113.5I3 A4 S5 E50 I53 D54M1-I3 PolarHBondContact O-N 2.9Å; M1-A4 PolarHBondContact O-N 3.48Å; M1-S5 PolarHBondContact O-N 2.93Å; M1-S5 PolarHBondContact O-OG 3.46Å; M1-E50 WeakPolarHBondContact CE-O 3.45Å; M1-I53 HydrophobicContact CB-CG2 4.16Å; M1-I53 HydrophobicContact CE-CB 4.15Å; M1-I53 HydrophobicContact CE-CG2 4.13Å; M1-I53 HydrophobicContact CG-CG2 4.04Å; M1-D54 HydrophobicContact CE-CB 3.62Å; M1-D54 VanDerWaalsContact SD-CA 3.59Å; M1-D54 HydrophobicContact SD-CB 3.53Å; M1-D54 VanDerWaalsContact SD-CB 3.53Å; M1-D54 VanDerWaalsContact SD-OD1 3.4Å
2V67.4Low77Confident87 Ų8772 Ų7253%0.52737%0.367SS..Hα-helixtrans-55.1-49.9179.4-166.20000113.1A4 S5 V6 I53V2-A4 VanDerWaalsContact C-N 3.34Å; V2-A4 PolarHBondContact O-N 3.01Å; V2-S5 WeakPolarHBondContact O-CB 3.33Å; V2-S5 PolarHBondContact O-N 3.45Å; V2-S5 VanDerWaalsContact O-N 3.11Å; V2-V6 WeakPolarHBondContact O-CG2 3.36Å; V2-V6 PolarHBondContact O-N 2.7Å; V2-I53 HydrophobicContact CG2-CD1 3.69Å; V2-I53 HydrophobicContact CG2-CG2 4.3Å
3I73.5Confident76.8Confident147 Ų14774.4 Ų74.475%0.75437%0.369SS*.Hα-helixtrans-59.4-44179.9-63.5170.8000111.2M1 S5 V6 E7M1-I3 PolarHBondContact O-N 2.9Å; I3-S5 VanDerWaalsContact C-N 3.28Å; I3-S5 PolarHBondContact O-N 3.31Å; I3-V6 PolarHBondContact O-N 2.87Å; I3-E7 WeakPolarHBondContact O-CB 3.36Å; I3-E7 PolarHBondContact O-N 2.97Å
4A77.1Confident77.2Confident43 Ų4377.5 Ų77.536%0.35538%0.382SS..Hα-helixtrans-62.9-35.9177.800000112.2M1 V2 C8 H57M1-A4 PolarHBondContact O-N 3.48Å; V2-A4 VanDerWaalsContact C-N 3.34Å; V2-A4 PolarHBondContact O-N 3.01Å; A4-C8 WeakPolarHBondContact O-CB 2.99Å; A4-C8 PolarHBondContact O-N 2.86Å; A4-H57 VanDerWaalsContact C-CE1 3.41Å; A4-H57 PolarHBondContact O-CE1 3.05Å; A4-H57 PolarHBondContact O-ND1 3.39Å
5S76.1Confident77.3Confident5 Ų574.2 Ų74.24%0.03537%0.368CS..Hα-helixtrans-67-44.6176.3-570000112.3M1 V2 I3 C8 N9 I53 H57M1-S5 PolarHBondContact O-N 2.93Å; M1-S5 PolarHBondContact O-OG 3.46Å; V2-S5 WeakPolarHBondContact O-CB 3.33Å; V2-S5 PolarHBondContact O-N 3.45Å; V2-S5 VanDerWaalsContact O-N 3.11Å; I3-S5 VanDerWaalsContact C-N 3.28Å; I3-S5 PolarHBondContact O-N 3.31Å; S5-C8 PolarHBondContact O-N 3.32Å; S5-N9 PolarHBondContact O-N 3.42Å; S5-I53 PolarHBondContact OG-O 2.87Å; S5-H57 WeakPolarHBondContact CA-ND1 3.44Å; S5-H57 WeakPolarHBondContact OG-CB 3.31Å
6V72.4Confident76.7Confident74 Ų7469.9 Ų69.945%0.44835%0.347SS..Hα-helixtrans-63.3-43.2176.1173.20000110.9V2 I3 N9 K10V2-V6 WeakPolarHBondContact O-CG2 3.36Å; V2-V6 PolarHBondContact O-N 2.7Å; I3-V6 PolarHBondContact O-N 2.87Å; V6-N9 PolarHBondContact O-N 3.41Å; V6-K10 WeakPolarHBondContact O-CG 3.45Å; V6-K10 PolarHBondContact O-N 3.4Å
7E87Confident76.5Confident81 Ų8177 Ų7738%0.37937%0.369SS..Hα-helixtrans-65.4-41178.7-172.456.5-152.800112.1I3 N9 K10 R11I3-E7 WeakPolarHBondContact O-CB 3.36Å; I3-E7 PolarHBondContact O-N 2.97Å; E7-N9 VanDerWaalsContact C-N 3.34Å; E7-N9 PolarHBondContact O-N 3.47Å; E7-K10 PolarHBondContact O-N 3.4Å; E7-R11 PolarHBondContact O-N 2.92Å; E7-R11 IonicContact OE1-NE 2.67Å
8C84.6Confident76Confident9 Ų980.8 Ų80.86%0.06139%0.391CS..Hα-helixtrans-59-45.9173.8-179.70000111.4A4 S5 K10 R11 F12 C60 I61A4-C8 WeakPolarHBondContact O-CB 2.99Å; A4-C8 PolarHBondContact O-N 2.86Å; S5-C8 PolarHBondContact O-N 3.32Å; C8-K10 VanDerWaalsContact C-N 3.33Å; C8-K10 PolarHBondContact O-N 3.18Å; C8-R11 PolarHBondContact O-N 3.47Å; C8-F12 WeakPolarHBondContact O-CB 3.42Å; C8-F12 PolarHBondContact O-N 2.76Å; C8-C60 HydrophobicContact CB-CB 3.97Å; C8-C60 WeakPolarHBondContact CB-SG 2.98Å; C8-C60 PolarHBondContact O-SG 3.28Å; C8-C60 VanDerWaalsContact O-SG 3.41Å; C8-C60 WeakPolarHBondContact SG-CB 3.23Å; C8-C60 CovalentContact SG-SG 2.03Å; C8-C60 PolarHBondContact SG-SG 2.99Å; C8-I61 PolarHBondContact SG-N 2.9Å
9N78.3Confident75.4Confident49 Ų4976.9 Ų76.926%0.26237%0.372SS..Hα-helixtrans-63.6-39.5179-17242.9000111.7S5 V6 E7 R11 F12 W13 Y56 C60S5-N9 PolarHBondContact O-N 3.42Å; V6-N9 PolarHBondContact O-N 3.41Å; E7-N9 VanDerWaalsContact C-N 3.34Å; E7-N9 PolarHBondContact O-N 3.47Å; N9-R11 PolarHBondContact O-N 3.34Å; N9-F12 WeakPolarHBondContact O-CB 3.23Å; N9-F12 PolarHBondContact O-N 3.49Å; N9-W13 PolarHBondContact O-N 3.31Å; N9-W13 VanDerWaalsContact O-N 3.09Å; N9-W13 PolarHBondContact OD1-NE1 3.33Å; N9-Y56 WeakPolarHBondContact CB-OH 3.45Å; N9-Y56 PolarHBondContact OD1-OH 3.38Å; N9-C60 PolarHBondContact N-SG 3.13Å; N9-C60 VanDerWaalsContact N-SG 3.37Å
10K81.9Confident74.5Confident114 Ų11482 Ų8250%0.49639%0.392SS..Hα-helixtrans-58.3-48.7173.5-74177.1-177.1174.70111.4V6 E7 C8 W13 Q14V6-K10 WeakPolarHBondContact O-CG 3.45Å; V6-K10 PolarHBondContact O-N 3.4Å; E7-K10 PolarHBondContact O-N 3.4Å; C8-K10 VanDerWaalsContact C-N 3.33Å; C8-K10 PolarHBondContact O-N 3.18Å; K10-W13 PolarHBondContact O-N 2.83Å; K10-Q14 VanDerWaalsContact O-CG 3.31Å; K10-Q14 WeakPolarHBondContact O-CG 2.85Å; K10-Q14 PolarHBondContact O-N 3.03Å
11R82.9Confident73.8Confident139 Ų13983 Ų8353%0.52541%0.409SS..Hα-helixtrans-61.1-44.2177.1-73.5-176.6179.1-165.6-3.7111.9E7 C8 N9 W13 Q14 T15 L64E7-R11 PolarHBondContact O-N 2.92Å; E7-R11 IonicContact OE1-NE 2.67Å; C8-R11 PolarHBondContact O-N 3.47Å; N9-R11 PolarHBondContact O-N 3.34Å; R11-W13 VanDerWaalsContact C-N 3.34Å; R11-W13 PolarHBondContact O-N 2.89Å; R11-Q14 WeakPolarHBondContact O-CB 3.48Å; R11-Q14 PolarHBondContact O-N 2.88Å; R11-Q14 VanDerWaalsContact O-N 3.13Å; R11-T15 PolarHBondContact O-N 3.49Å; R11-T15 PolarHBondContact O-OG1 3.29Å; R11-L64 HydrophobicContact CB-CD1 4.31Å; R11-L64 HydrophobicContact CB-CD2 4.07Å
12F80.1Confident73.9Confident7 Ų781.9 Ų81.93%0.03140%0.399CS..Hα-helixtrans-52-51.5175.8174.7-88.1000111.7C8 N9 Q14 T15 M16 I67C8-F12 WeakPolarHBondContact O-CB 3.42Å; C8-F12 PolarHBondContact O-N 2.76Å; N9-F12 WeakPolarHBondContact O-CB 3.23Å; N9-F12 PolarHBondContact O-N 3.49Å; F12-Q14 PolarHBondContact O-N 3.19Å; F12-T15 PolarHBondContact O-N 3.3Å; F12-M16 HydrophobicContact CD1-CG 4.35Å; F12-M16 HydrophobicContact CE1-CG 4.01Å; F12-M16 HydrophobicContact CZ-CG 4.21Å; F12-M16 WeakPolarHBondContact O-CB 3.35Å; F12-M16 VanDerWaalsContact O-CG 3.3Å; F12-M16 WeakPolarHBondContact O-CG 3.33Å; F12-M16 PolarHBondContact O-N 2.73Å; F12-I67 HydrophobicContact CD2-CD1 3.47Å; F12-I67 VanDerWaalsContact CD2-CD1 3.47Å; F12-I67 HydrophobicContact CE2-CD1 3.13Å; F12-I67 HydrophobicContact CE2-CG1 4.41Å; F12-I67 HydrophobicContact CG-CD1 4.34Å; F12-I67 HydrophobicContact CZ-CD1 3.77Å
13W74.5Confident73.7Confident103 Ų10383.8 Ų83.839%0.3940%0.397SS..Hα-helixtrans-70-31.6179.1-71110.7000113.6N9 K10 R11 M16 R17 F31N9-W13 PolarHBondContact O-N 3.31Å; N9-W13 VanDerWaalsContact O-N 3.09Å; N9-W13 PolarHBondContact OD1-NE1 3.33Å; K10-W13 PolarHBondContact O-N 2.83Å; R11-W13 VanDerWaalsContact C-N 3.34Å; R11-W13 PolarHBondContact O-N 2.89Å; W13-M16 HydrophobicContact CE3-CB 4.49Å; W13-R17 WeakPolarHBondContact O-CG 3.38Å; W13-R17 PolarHBondContact O-N 3.34Å; W13-R17 VanDerWaalsContact O-N 3.16Å; W13-F31 HydrophobicContact CH2-CE2 4.33Å
14Q82.6Confident73.5Confident118 Ų11882.2 Ų82.255%0.55139%0.389SS*.Hα-helixtrans-65.4-48173.3-74.8172-18.400111.3K10 R11 F12 M16 R17 L18K10-Q14 VanDerWaalsContact O-CG 3.31Å; K10-Q14 WeakPolarHBondContact O-CG 2.85Å; K10-Q14 PolarHBondContact O-N 3.03Å; R11-Q14 WeakPolarHBondContact O-CB 3.48Å; R11-Q14 PolarHBondContact O-N 2.88Å; R11-Q14 VanDerWaalsContact O-N 3.13Å; F12-Q14 PolarHBondContact O-N 3.19Å; Q14-M16 PolarHBondContact O-N 2.56Å; Q14-R17 PolarHBondContact O-N 3.13Å; Q14-R17 VanDerWaalsContact O-N 3.16Å; Q14-L18 PolarHBondContact O-N 3.26Å
15T77.9Confident72.9Confident28 Ų2884.4 Ų84.417%0.17239%0.394CS..Hα-helixtrans-63.7-41.5178-50.70000111.1R11 F12 R17 L18 S19 I67 I68R11-T15 PolarHBondContact O-N 3.49Å; R11-T15 PolarHBondContact O-OG1 3.29Å; F12-T15 PolarHBondContact O-N 3.3Å; T15-R17 VanDerWaalsContact C-N 3.26Å; T15-R17 PolarHBondContact O-N 3.47Å; T15-L18 PolarHBondContact O-N 2.92Å; T15-S19 PolarHBondContact O-OG 2.87Å; T15-I67 HydrophobicContact CG2-CB 4.47Å; T15-I67 HydrophobicContact CG2-CG2 3.53Å; T15-I68 HydrophobicContact CG2-CG1 4.12Å
16M68.2Low72.3Confident6 Ų684.2 Ų84.23%0.0339%0.393CS..Hα-helixtrans-56.4-37173.1-80.8-66.8-67.600113.4F12 W13 Q14 S19 T26 Q27 L30 I67F12-M16 HydrophobicContact CD1-CG 4.35Å; F12-M16 HydrophobicContact CE1-CG 4.01Å; F12-M16 HydrophobicContact CZ-CG 4.21Å; F12-M16 WeakPolarHBondContact O-CB 3.35Å; F12-M16 VanDerWaalsContact O-CG 3.3Å; F12-M16 WeakPolarHBondContact O-CG 3.33Å; F12-M16 PolarHBondContact O-N 2.73Å; W13-M16 HydrophobicContact CE3-CB 4.49Å; Q14-M16 PolarHBondContact O-N 2.56Å; M16-S19 PolarHBondContact O-N 2.99Å; M16-T26 HydrophobicContact CE-CG2 3.81Å; M16-T26 HydrophobicContact SD-CG2 3.27Å; M16-T26 WeakPolarHBondContact SD-CG2 3.25Å; M16-Q27 HydrophobicContact CE-CG 4.16Å; M16-L30 HydrophobicContact SD-CD1 4.47Å; M16-I67 HydrophobicContact CG-CD1 3.77Å; M16-I67 HydrophobicContact SD-CD1 3.61Å; M16-I67 HydrophobicContact SD-CG1 4.2Å
17R72.2Confident71.8Confident190 Ų19082.1 Ų82.172%0.71738%0.378SS*.Hα-helixtrans-72.6-28.2-179.4-81-179.5-171.6-177.93.2113.3W13 Q14 T15 S19 K20W13-R17 WeakPolarHBondContact O-CG 3.38Å; W13-R17 PolarHBondContact O-N 3.34Å; W13-R17 VanDerWaalsContact O-N 3.16Å; Q14-R17 PolarHBondContact O-N 3.13Å; Q14-R17 VanDerWaalsContact O-N 3.16Å; T15-R17 VanDerWaalsContact C-N 3.26Å; T15-R17 PolarHBondContact O-N 3.47Å; R17-S19 VanDerWaalsContact C-N 3.26Å; R17-K20 WeakPolarHBondContact O-CG 3.41Å
18L67.4Low70.8Confident146 Ų14683.3 Ų83.376%0.76439%0.386SS*.Hα-helixtrans-71.7-25.6178.5-66.9172.2000111.5Q14 T15 K20Q14-L18 PolarHBondContact O-N 3.26Å; T15-L18 PolarHBondContact O-N 2.92Å; L18-K20 PolarHBondContact O-N 3.06Å
19S64.5Low69.7Low6 Ų686.9 Ų86.94%0.04241%0.407CS..  trans-72.636176.7-430000114.5T15 M16 R17 S21 Y22 W23 N71T15-S19 PolarHBondContact O-OG 2.87Å; M16-S19 PolarHBondContact O-N 2.99Å; R17-S19 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.08Å; S19-Y22 CarbonylContact O-C 3.57Å; S19-Y22 PolarHBondContact O-N 3.43Å; S19-W23 PolarHBondContact O-N 3.39Å; S19-N71 WeakPolarHBondContact CB-OD1 3.27Å; S19-N71 VanDerWaalsContact OG-CG 3.24Å; S19-N71 PolarHBondContact OG-ND2 3.43Å; S19-N71 PolarHBondContact OG-OD1 3.44Å
20K57.8Low68.9Low178 Ų17885.4 Ų85.477%0.77440%0.399SS*.THydrogen-bonded Turntrans-50.8-37-170-72.3-171.8179.4176.70114.2R17 L18 Y22R17-K20 WeakPolarHBondContact O-CG 3.41Å; L18-K20 PolarHBondContact O-N 3.06Å; K20-Y22 VanDerWaalsContact C-N 3.3Å; K20-Y22 PolarHBondContact O-N 3.35Å
21S59.7Low68Low105 Ų10584.2 Ų84.273%0.73440%0.395SS*.THydrogen-bonded Turntrans-76.8-15.5-178.3-38.10000113.9S19S19-S21 PolarHBondContact O-N 3.08Å
22Y65.4Low67Low85 Ų8583.4 Ų83.433%0.33340%0.4SS..THydrogen-bonded Turntrans-127.46.4-174.3-53.5-76000112.7S19 K20 L24 I25 T26 I74S19-Y22 CarbonylContact O-C 3.57Å; S19-Y22 PolarHBondContact O-N 3.43Å; K20-Y22 VanDerWaalsContact C-N 3.3Å; K20-Y22 PolarHBondContact O-N 3.35Å; Y22-L24 PolarHBondContact O-N 3.46Å; Y22-I25 PolarHBondContact O-N 2.88Å; Y22-T26 PolarHBondContact O-N 3.46Å; Y22-T26 PolarHBondContact O-OG1 3.05Å; Y22-I74 HydrophobicContact CD1-CD1 3.99Å; Y22-I74 HydrophobicContact CD1-CG2 4.04Å; Y22-I74 HydrophobicContact CD2-CB 4.41Å; Y22-I74 HydrophobicContact CD2-CD1 3.77Å; Y22-I74 HydrophobicContact CD2-CG2 3.55Å; Y22-I74 HydrophobicContact CE1-CG2 3.58Å; Y22-I74 HydrophobicContact CE2-CB 4.26Å; Y22-I74 HydrophobicContact CE2-CD1 4.39Å; Y22-I74 HydrophobicContact CE2-CG2 3.04Å; Y22-I74 HydrophobicContact CG-CD1 3.55Å; Y22-I74 HydrophobicContact CG-CG2 4.02Å; Y22-I74 VanDerWaalsContact OH-CG2 3.31Å; Y22-I74 WeakPolarHBondContact OH-CG2 3.39Å
23W64.7Low66Low126 Ų12685.3 Ų85.348%0.47741%0.413SS..Hα-helixtrans-47.3-40.8-174.9-175.985.3000112.7S19 Q27S19-W23 PolarHBondContact O-N 3.39Å; W23-Q27 HydrophobicContact CD2-CG 3.91Å; W23-Q27 HydrophobicContact CE3-CG 4.08Å; W23-Q27 HydrophobicContact CG-CG 4.48Å; W23-Q27 HydrophobicContact CH2-CG 4.17Å; W23-Q27 HydrophobicContact CZ2-CG 3.99Å; W23-Q27 VanDerWaalsContact CZ2-NE2 3.26Å; W23-Q27 HydrophobicContact CZ3-CG 4.21Å; W23-Q27 VanDerWaalsContact O-CB 3.23Å; W23-Q27 WeakPolarHBondContact O-CB 3.42Å; W23-Q27 WeakPolarHBondContact O-CG 3.49Å; W23-Q27 PolarHBondContact O-N 2.87Å
24L67.3Low65.6Low115 Ų11580.9 Ų80.960%0.60240%0.398SS*.Hα-helixtrans-68-43.4178-166.673.7000113.1Y22 Q27 I28Y22-L24 PolarHBondContact O-N 3.46Å; L24-Q27 PolarHBondContact O-N 3.28Å; L24-I28 HydrophobicContact CG-CD1 4.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.3Å
25I64.9Low64.6Low89 Ų8979.7 Ų79.746%0.45640%0.395SS..Hα-helixtrans-68.3-42.9177.7-64.2171.1000109.5Y22 Q27 I28 T29 F70Y22-I25 PolarHBondContact O-N 2.88Å; I25-Q27 VanDerWaalsContact C-N 3.33Å; I25-Q27 PolarHBondContact O-N 3.16Å; I25-I28 PolarHBondContact O-N 3.5Å; I25-T29 WeakPolarHBondContact O-CB 3.27Å; I25-T29 PolarHBondContact O-N 2.96Å; I25-T29 PolarHBondContact O-OG1 3.16Å; I25-F70 HydrophobicContact CG2-CZ 3.77Å
26T63.8Low64.1Low1 Ų188.3 Ų88.31%0.00642%0.424CS..Hα-helixtrans-62-40.8176.2-43.90000111.2M16 Y22 L30 I67 F70M16-T26 HydrophobicContact CE-CG2 3.81Å; M16-T26 HydrophobicContact SD-CG2 3.27Å; M16-T26 WeakPolarHBondContact SD-CG2 3.25Å; Y22-T26 PolarHBondContact O-N 3.46Å; Y22-T26 PolarHBondContact O-OG1 3.05Å; T26-L30 HydrophobicContact CG2-CD1 3.68Å; T26-L30 VanDerWaalsContact O-CB 3.27Å; T26-L30 WeakPolarHBondContact O-CB 3.3Å; T26-L30 WeakPolarHBondContact O-CG 3.14Å; T26-L30 PolarHBondContact O-N 3.35Å; T26-L30 VanDerWaalsContact O-N 3.13Å; T26-I67 HydrophobicContact CG2-CG1 4.46Å; T26-F70 HydrophobicContact CG2-CD1 4.4Å; T26-F70 HydrophobicContact CG2-CE1 4.49Å; T26-F70 WeakPolarHBondContact OG1-CE1 3.34Å
27Q62.8Low63.8Low30 Ų3090.3 Ų90.314%0.1444%0.435CS..Hα-helixtrans-62.3-52.4172.2-74.9-93.6-21.500111.4M16 W23 L24 I25 T29 L30 F31M16-Q27 HydrophobicContact CE-CG 4.16Å; W23-Q27 HydrophobicContact CD2-CG 3.91Å; W23-Q27 HydrophobicContact CE3-CG 4.08Å; W23-Q27 HydrophobicContact CG-CG 4.48Å; W23-Q27 HydrophobicContact CH2-CG 4.17Å; W23-Q27 HydrophobicContact CZ2-CG 3.99Å; W23-Q27 VanDerWaalsContact CZ2-NE2 3.26Å; W23-Q27 HydrophobicContact CZ3-CG 4.21Å; W23-Q27 VanDerWaalsContact O-CB 3.23Å; W23-Q27 WeakPolarHBondContact O-CB 3.42Å; W23-Q27 WeakPolarHBondContact O-CG 3.49Å; W23-Q27 PolarHBondContact O-N 2.87Å; L24-Q27 PolarHBondContact O-N 3.28Å; I25-Q27 VanDerWaalsContact C-N 3.33Å; I25-Q27 PolarHBondContact O-N 3.16Å; Q27-T29 VanDerWaalsContact C-N 3.3Å; Q27-T29 PolarHBondContact O-N 3.2Å; Q27-L30 PolarHBondContact O-N 3.27Å; Q27-F31 WeakPolarHBondContact O-CA 3.32Å; Q27-F31 WeakPolarHBondContact O-CB 3.26Å; Q27-F31 PolarHBondContact O-N 3.45Å
28I64.7Low63.5Low105 Ų10585 Ų8554%0.53842%0.419SS..Hα-helixtrans-61.8-42-176.8-68.1165.5000111.4L24 I25 L30L24-I28 HydrophobicContact CG-CD1 4.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.3Å; I25-I28 PolarHBondContact O-N 3.5Å; I28-L30 VanDerWaalsContact C-N 3.35Å; I28-L30 PolarHBondContact O-N 3.48Å
29T61.6Low63.5Low84 Ų8484.6 Ų84.652%0.51541%0.413SS..Hα-helixtrans-73.8-28.2-174.3-44.80000112.1I25 Q27I25-T29 WeakPolarHBondContact O-CB 3.27Å; I25-T29 PolarHBondContact O-N 2.96Å; I25-T29 PolarHBondContact O-OG1 3.16Å; Q27-T29 VanDerWaalsContact C-N 3.3Å; Q27-T29 PolarHBondContact O-N 3.2Å
30L61.9Low63.6Low18 Ų1889.8 Ų89.89%0.09444%0.437CS..Hα-helixtrans-116.7-29.6-171.4-56.8170.9000113.9M16 T26 Q27 I28 P33 S34 Y63 I67M16-L30 HydrophobicContact SD-CD1 4.47Å; T26-L30 HydrophobicContact CG2-CD1 3.68Å; T26-L30 VanDerWaalsContact O-CB 3.27Å; T26-L30 WeakPolarHBondContact O-CB 3.3Å; T26-L30 WeakPolarHBondContact O-CG 3.14Å; T26-L30 PolarHBondContact O-N 3.35Å; T26-L30 VanDerWaalsContact O-N 3.13Å; Q27-L30 PolarHBondContact O-N 3.27Å; I28-L30 VanDerWaalsContact C-N 3.35Å; I28-L30 PolarHBondContact O-N 3.48Å; L30-P33 WeakPolarHBondContact O-CD 3.44Å; L30-S34 WeakPolarHBondContact O-CB 3.33Å; L30-S34 PolarHBondContact O-N 3.18Å; L30-S34 PolarHBondContact O-OG 2.97Å; L30-Y63 HydrophobicContact CB-CD1 4.49Å; L30-Y63 HydrophobicContact CD2-CD1 3.79Å; L30-Y63 HydrophobicContact CD2-CE1 3.95Å; L30-I67 HydrophobicContact CD1-CD1 3.81Å; L30-I67 HydrophobicContact CD1-CG1 3.21Å
31F62.1Low63.6Low90 Ų9082.1 Ų82.140%0.39540%0.404SS..Hα-helixtrans-70.7-38.6-176.3-159.9-101.1000112.4W13 Q27 S34 L35W13-F31 HydrophobicContact CH2-CE2 4.33Å; Q27-F31 WeakPolarHBondContact O-CA 3.32Å; Q27-F31 WeakPolarHBondContact O-CB 3.26Å; Q27-F31 PolarHBondContact O-N 3.45Å; F31-S34 WeakPolarHBondContact O-CB 3.26Å; F31-S34 PolarHBondContact O-N 3.35Å; F31-L35 HydrophobicContact CD1-CD1 3.52Å; F31-L35 HydrophobicContact CD1-CG 4.36Å; F31-L35 HydrophobicContact CE1-CD1 3.36Å; F31-L35 HydrophobicContact CE1-CG 4.18Å; F31-L35 HydrophobicContact CZ-CD1 4.31Å; F31-L35 WeakPolarHBondContact O-CB 3.29Å; F31-L35 PolarHBondContact O-N 2.94Å
32L62.1Low63.8Low121 Ų12182.9 Ų82.963%0.63440%0.396SS*.Hα-helixtrans-62.5-49.2175.9-99.2142.3000112.5R36L32-R36 PolarHBondContact O-N 2.87Å
33P60.2Low63.6Low47 Ų4782.3 Ų82.331%0.30540%0.404SS..Hα-helixtrans-62.2-38.9171.4-2432.7000113.5L30 R36 L37 Y63L30-P33 WeakPolarHBondContact O-CD 3.44Å; P33-R36 PolarHBondContact O-N 3.34Å; P33-L37 WeakPolarHBondContact O-CB 3.47Å; P33-L37 PolarHBondContact O-N 3.36Å; P33-Y63 HydrophobicContact CB-CE1 4.06Å; P33-Y63 WeakPolarHBondContact CB-OH 3.5Å
34S65.2Low63.2Low10 Ų1078 Ų787%0.0739%0.392CS..Hα-helixtrans-61.2-46.2177.9-54.80000112.1L30 F31 L37 I38 W59L30-S34 WeakPolarHBondContact O-CB 3.33Å; L30-S34 PolarHBondContact O-N 3.18Å; L30-S34 PolarHBondContact O-OG 2.97Å; F31-S34 WeakPolarHBondContact O-CB 3.26Å; F31-S34 PolarHBondContact O-N 3.35Å; S34-L37 PolarHBondContact O-N 2.76Å; S34-I38 WeakPolarHBondContact O-CB 3.37Å; S34-I38 VanDerWaalsContact O-CG1 3.26Å; S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 3.02Å; S34-W59 VanDerWaalsContact OG-CZ2 3.29Å; S34-W59 WeakPolarHBondContact OG-CZ2 3.45Å
35L62.7Low62.6Low93 Ų9377.7 Ų77.749%0.48738%0.384SS..Hα-helixtrans-63.9-46.8179.3-98.1162.7000111.9F31 L37 I38 H39F31-L35 HydrophobicContact CD1-CD1 3.52Å; F31-L35 HydrophobicContact CD1-CG 4.36Å; F31-L35 HydrophobicContact CE1-CD1 3.36Å; F31-L35 HydrophobicContact CE1-CG 4.18Å; F31-L35 HydrophobicContact CZ-CD1 4.31Å; F31-L35 WeakPolarHBondContact O-CB 3.29Å; F31-L35 PolarHBondContact O-N 2.94Å; L35-L37 PolarHBondContact O-N 3.36Å; L35-I38 PolarHBondContact O-N 3.06Å; L35-H39 WeakPolarHBondContact O-CB 3.18Å; L35-H39 PolarHBondContact O-N 3.43Å
36R67.6Low62.2Low209 Ų20983.2 Ų83.279%0.78940%0.4SS*.Hα-helixtrans-61.8-36.4179-175.7171.8-97.6175.1-6.8111.1L32 P33 H40L32-R36 PolarHBondContact O-N 2.87Å; P33-R36 PolarHBondContact O-N 3.34Å; R36-H40 WeakPolarHBondContact O-CB 3.27Å; R36-H40 PolarHBondContact O-N 2.89Å
37L62Low61.9Low49 Ų4992.6 Ų92.626%0.25744%0.437SS..Hα-helixtrans-77.3-40.1177.7-162.677.4000113.3P33 S34 L35 H39 H40 M41 W59P33-L37 WeakPolarHBondContact O-CB 3.47Å; P33-L37 PolarHBondContact O-N 3.36Å; S34-L37 PolarHBondContact O-N 2.76Å; L35-L37 PolarHBondContact O-N 3.36Å; L37-H39 PolarHBondContact O-N 3.35Å; L37-H40 PolarHBondContact O-N 3.49Å; L37-M41 HydrophobicContact CD1-CE 4.34Å; L37-M41 HydrophobicContact CD2-CE 3.82Å; L37-M41 HydrophobicContact CD2-SD 4.39Å; L37-M41 HydrophobicContact CG-CE 4.01Å; L37-M41 HydrophobicContact CG-CG 4.18Å; L37-M41 HydrophobicContact CG-SD 4.34Å; L37-M41 WeakPolarHBondContact O-CB 3.39Å; L37-M41 VanDerWaalsContact O-CG 3.26Å; L37-M41 WeakPolarHBondContact O-CG 3.47Å; L37-M41 PolarHBondContact O-N 2.67Å; L37-W59 HydrophobicContact CD2-CB 3.76Å; L37-W59 HydrophobicContact CD2-CD2 3.86Å; L37-W59 HydrophobicContact CD2-CG 3.19Å
38I65.5Low62.1Low77 Ų7796.7 Ų96.740%0.39546%0.456SS..Hα-helixtrans-58-42.4172.8-70.9165000109.7S34 L35 M41 Q42S34-I38 WeakPolarHBondContact O-CB 3.37Å; S34-I38 VanDerWaalsContact O-CG1 3.26Å; S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 3.02Å; L35-I38 PolarHBondContact O-N 3.06Å; I38-M41 PolarHBondContact O-N 2.92Å; I38-Q42 HydrophobicContact CG2-CG 4.49Å; I38-Q42 WeakPolarHBondContact O-CB 3.38Å; I38-Q42 WeakPolarHBondContact O-CG 3.34Å; I38-Q42 PolarHBondContact O-N 2.84Å
39H67.6Low62.2Low138 Ų13896.4 Ų96.464%0.63945%0.452SS*.Hα-helixtrans-66.7-40.5177.3-151.7-70.1000112.3L35 L37 M41 S43L35-H39 WeakPolarHBondContact O-CB 3.18Å; L35-H39 PolarHBondContact O-N 3.43Å; L37-H39 PolarHBondContact O-N 3.35Å; H39-M41 VanDerWaalsContact C-N 3.35Å; H39-S43 PolarHBondContact O-N 3Å
40H65.2Low62.5Low116 Ų116100.1 Ų100.154%0.53746%0.464SS..Hα-helixtrans-63-43.5173.4-177.857.7000111.1R36 L37 S43 V44R36-H40 WeakPolarHBondContact O-CB 3.27Å; R36-H40 PolarHBondContact O-N 2.89Å; L37-H40 PolarHBondContact O-N 3.49Å; H40-S43 WeakPolarHBondContact O-CB 3.18Å; H40-S43 PolarHBondContact O-N 3.31Å; H40-S43 PolarHBondContact O-OG 2.86Å; H40-V44 PolarHBondContact O-N 2.98Å
41M58.7Low63Low17 Ų17104.7 Ų104.78%0.08448%0.481CS..Hα-helixtrans-75.2-27.8-177.7-69.9-165.716700114L37 I38 H39 S43 V44 Y45 F52 H55 Y56L37-M41 HydrophobicContact CD1-CE 4.34Å; L37-M41 HydrophobicContact CD2-CE 3.82Å; L37-M41 HydrophobicContact CD2-SD 4.39Å; L37-M41 HydrophobicContact CG-CE 4.01Å; L37-M41 HydrophobicContact CG-CG 4.18Å; L37-M41 HydrophobicContact CG-SD 4.34Å; L37-M41 WeakPolarHBondContact O-CB 3.39Å; L37-M41 VanDerWaalsContact O-CG 3.26Å; L37-M41 WeakPolarHBondContact O-CG 3.47Å; L37-M41 PolarHBondContact O-N 2.67Å; I38-M41 PolarHBondContact O-N 2.92Å; H39-M41 VanDerWaalsContact C-N 3.35Å; M41-S43 PolarHBondContact O-N 3.31Å; M41-V44 PolarHBondContact O-N 3.48Å; M41-V44 VanDerWaalsContact O-N 3.09Å; M41-Y45 PolarHBondContact O-N 3.2Å; M41-F52 HydrophobicContact CB-CD2 3.67Å; M41-F52 HydrophobicContact CB-CE2 3.43Å; M41-F52 VanDerWaalsContact CB-CE2 3.43Å; M41-F52 HydrophobicContact CG-CD2 4.26Å; M41-F52 HydrophobicContact CG-CE2 4.19Å; M41-F52 HydrophobicContact SD-CD2 4.09Å; M41-F52 HydrophobicContact SD-CE2 3.86Å; M41-H55 HydrophobicContact CE-CB 3.62Å; M41-Y56 HydrophobicContact SD-CD2 4.4Å
42Q62.7Low63.7Low121 Ų121102.4 Ų102.457%0.56547%0.47SS*.Hα-helixtrans-60.8-33.4168.3-81.2177.3-30.600112I38 V44I38-Q42 HydrophobicContact CG2-CG 4.49Å; I38-Q42 WeakPolarHBondContact O-CB 3.38Å; I38-Q42 WeakPolarHBondContact O-CG 3.34Å; I38-Q42 PolarHBondContact O-N 2.84Å; Q42-V44 VanDerWaalsContact C-N 3.3Å
43S62.5Low64.3Low72 Ų7298 Ų9850%0.50345%0.447SS..Hα-helixtrans-70.3-27.5173.876.80000113.1H39 H40 M41H39-S43 PolarHBondContact O-N 3Å; H40-S43 WeakPolarHBondContact O-CB 3.18Å; H40-S43 PolarHBondContact O-N 3.31Å; H40-S43 PolarHBondContact O-OG 2.86Å; M41-S43 PolarHBondContact O-N 3.31Å
44V57Low65.4Low37 Ų3798 Ų9822%0.22444%0.444CS..Hα-helixtrans-85.6-30.1178.9-179.90000112.3H40 M41 Q42 Y46 Y47 E48 Y51H40-V44 PolarHBondContact O-N 2.98Å; M41-V44 PolarHBondContact O-N 3.48Å; M41-V44 VanDerWaalsContact O-N 3.09Å; Q42-V44 VanDerWaalsContact C-N 3.3Å; V44-Y46 PolarHBondContact O-N 3.36Å; V44-Y47 PolarHBondContact O-N 3.35Å; V44-E48 PolarHBondContact O-N 3.34Å; V44-Y51 HydrophobicContact CG1-CD1 3.94Å; V44-Y51 HydrophobicContact CG1-CE1 4.21Å
45Y54.6Low66.1Low107 Ų107100.5 Ų100.542%0.4246%0.455SS..Hα-helixtrans-53-28.8177.5-173-94000113.3M41 Y47 H49 F52M41-Y45 PolarHBondContact O-N 3.2Å; Y45-Y47 PolarHBondContact O-N 3.34Å; Y45-H49 AromaticContact CE1-NE2 3.48Å; Y45-H49 WeakPolarHBondContact CE1-NE2 3.47Å; Y45-H49 AromaticContact CE2-CE1 3.16Å; Y45-H49 WeakPolarHBondContact CE2-CE1 3.31Å; Y45-H49 AromaticContact CE2-ND1 3.73Å; Y45-H49 AromaticContact CE2-NE2 3.45Å; Y45-H49 WeakPolarHBondContact CE2-NE2 3.32Å; Y45-H49 AromaticContact CZ-CE1 3.12Å; Y45-H49 AromaticContact CZ-NE2 3.02Å; Y45-H49 PolarHBondContact OH-CE1 3.01Å; Y45-H49 PolarHBondContact OH-NE2 3.09Å; Y45-H49 VanDerWaalsContact OH-NE2 3.1Å; Y45-F52 AromaticContact CD2-CD1 3.55Å; Y45-F52 HydrophobicContact CD2-CD1 3.55Å; Y45-F52 AromaticContact CD2-CE1 3.72Å; Y45-F52 HydrophobicContact CD2-CE1 3.72Å; Y45-F52 HydrophobicContact CD2-CG 4.04Å; Y45-F52 HydrophobicContact CD2-CZ 4.36Å; Y45-F52 HydrophobicContact CE2-CD1 4.07Å; Y45-F52 HydrophobicContact CE2-CE1 4.05Å
46Y56.3Low66.8Low205 Ų20598 Ų9880%0.80444%0.44SS*.THydrogen-bonded Turntrans-70.1-15.9178-111.7-85.7000114.5V44V44-Y46 PolarHBondContact O-N 3.36Å
47Y57.7Low67.6Low198 Ų19890 Ų9078%0.77641%0.411SS*.THydrogen-bonded Turntrans-114.6-41.5-172-72.2-83.9000113.5V44 Y45V44-Y47 PolarHBondContact O-N 3.35Å; Y45-Y47 PolarHBondContact O-N 3.34Å
48E65.3Low68.6Low117 Ų11793 Ų9355%0.54742%0.422SS..  trans-148.895.9-175.4-66.2-173.8170.200112.9V44 E50 Y51 F52V44-E48 PolarHBondContact O-N 3.34Å; E48-E50 PolarHBondContact O-N 3.49Å; E48-Y51 PolarHBondContact O-N 2.84Å; E48-F52 PolarHBondContact O-N 3.42Å; E48-F52 VanDerWaalsContact O-N 3.1Å
49H67.5Low69.4Low98 Ų9890.7 Ų90.745%0.45441%0.408SS..Hα-helixtrans-62.3-38.6-174.2-123.9-81.9000114.1Y45 I53Y45-H49 AromaticContact CE1-NE2 3.48Å; Y45-H49 WeakPolarHBondContact CE1-NE2 3.47Å; Y45-H49 AromaticContact CE2-CE1 3.16Å; Y45-H49 WeakPolarHBondContact CE2-CE1 3.31Å; Y45-H49 AromaticContact CE2-ND1 3.73Å; Y45-H49 AromaticContact CE2-NE2 3.45Å; Y45-H49 WeakPolarHBondContact CE2-NE2 3.32Å; Y45-H49 AromaticContact CZ-CE1 3.12Å; Y45-H49 AromaticContact CZ-NE2 3.02Å; Y45-H49 PolarHBondContact OH-CE1 3.01Å; Y45-H49 PolarHBondContact OH-NE2 3.09Å; Y45-H49 VanDerWaalsContact OH-NE2 3.1Å; H49-I53 WeakPolarHBondContact O-CG1 3.4Å; H49-I53 PolarHBondContact O-N 2.86Å
50E67.4Low70.2Confident163 Ų16384.1 Ų84.176%0.76238%0.378SS*.Hα-helixtrans-72.1-41.2179.9-67.7-170158.700112M1 E48 F52 I53 D54M1-E50 WeakPolarHBondContact CE-O 3.45Å; E48-E50 PolarHBondContact O-N 3.49Å; E50-F52 VanDerWaalsContact C-N 3.31Å; E50-F52 PolarHBondContact O-N 3.09Å; E50-I53 PolarHBondContact O-N 3.4Å; E50-D54 PolarHBondContact O-N 3.42Å
51Y73.7Confident71.2Confident114 Ų11481.9 Ų81.945%0.44737%0.369SS..Hα-helixtrans-60.8-41.5175.8179.7-94.7000111.8V44 E48 I53 D54 H55V44-Y51 HydrophobicContact CG1-CD1 3.94Å; V44-Y51 HydrophobicContact CG1-CE1 4.21Å; E48-Y51 PolarHBondContact O-N 2.84Å; Y51-I53 PolarHBondContact O-N 2.84Å; Y51-D54 PolarHBondContact O-N 3.48Å; Y51-H55 AromaticContact CD1-ND1 3.95Å; Y51-H55 AromaticContact CD2-CE1 3.87Å; Y51-H55 AromaticContact CD2-ND1 3.8Å; Y51-H55 AromaticContact CE1-CE1 3.84Å; Y51-H55 AromaticContact CE1-ND1 3.61Å; Y51-H55 AromaticContact CE2-CE1 3.13Å; Y51-H55 WeakPolarHBondContact CE2-CE1 3.47Å; Y51-H55 AromaticContact CE2-ND1 3.46Å; Y51-H55 WeakPolarHBondContact CE2-ND1 3.49Å; Y51-H55 AromaticContact CZ-CE1 3.1Å; Y51-H55 AromaticContact CZ-ND1 3.36Å; Y51-H55 AromaticContact CZ-NE2 3.67Å; Y51-H55 PolarHBondContact O-N 3.36Å; Y51-H55 PolarHBondContact O-ND1 3.13Å; Y51-H55 PolarHBondContact OH-CE1 2.99Å; Y51-H55 PolarHBondContact OH-NE2 3.01Å
52F75.4Confident72.4Confident41 Ų4186 Ų8618%0.1839%0.387CS..Hα-helixtrans-58.8-47.3176.1165.7-106.4000112M41 Y45 E48 E50 D54 H55 Y56M41-F52 HydrophobicContact CB-CD2 3.67Å; M41-F52 HydrophobicContact CB-CE2 3.43Å; M41-F52 VanDerWaalsContact CB-CE2 3.43Å; M41-F52 HydrophobicContact CG-CD2 4.26Å; M41-F52 HydrophobicContact CG-CE2 4.19Å; M41-F52 HydrophobicContact SD-CD2 4.09Å; M41-F52 HydrophobicContact SD-CE2 3.86Å; Y45-F52 AromaticContact CD2-CD1 3.55Å; Y45-F52 HydrophobicContact CD2-CD1 3.55Å; Y45-F52 AromaticContact CD2-CE1 3.72Å; Y45-F52 HydrophobicContact CD2-CE1 3.72Å; Y45-F52 HydrophobicContact CD2-CG 4.04Å; Y45-F52 HydrophobicContact CD2-CZ 4.36Å; Y45-F52 HydrophobicContact CE2-CD1 4.07Å; Y45-F52 HydrophobicContact CE2-CE1 4.05Å; E48-F52 PolarHBondContact O-N 3.42Å; E48-F52 VanDerWaalsContact O-N 3.1Å; E50-F52 VanDerWaalsContact C-N 3.31Å; E50-F52 PolarHBondContact O-N 3.09Å; F52-D54 VanDerWaalsContact C-N 3.33Å; F52-D54 PolarHBondContact O-N 3.19Å; F52-H55 PolarHBondContact O-N 2.99Å; F52-Y56 VanDerWaalsContact O-CB 3.23Å; F52-Y56 WeakPolarHBondContact O-CB 3.43Å; F52-Y56 PolarHBondContact O-N 3.25Å
53I76.5Confident73.2Confident28 Ų2882.1 Ų82.114%0.14437%0.367CS..Hα-helixtrans-66.7-37.7-176.1-64.9174.7000110.8M1 V2 S5 H49 E50 Y51 H57M1-I53 HydrophobicContact CB-CG2 4.16Å; M1-I53 HydrophobicContact CE-CB 4.15Å; M1-I53 HydrophobicContact CE-CG2 4.13Å; M1-I53 HydrophobicContact CG-CG2 4.04Å; V2-I53 HydrophobicContact CG2-CD1 3.69Å; V2-I53 HydrophobicContact CG2-CG2 4.3Å; S5-I53 PolarHBondContact OG-O 2.87Å; H49-I53 WeakPolarHBondContact O-CG1 3.4Å; H49-I53 PolarHBondContact O-N 2.86Å; E50-I53 PolarHBondContact O-N 3.4Å; Y51-I53 PolarHBondContact O-N 2.84Å; I53-H57 WeakPolarHBondContact O-CB 3.45Å; I53-H57 PolarHBondContact O-N 3.32Å
54D82.5Confident74.2Confident47 Ų4779.9 Ų79.925%0.25135%0.349SS..Hα-helixtrans-64.8-48.6175.6-173.353.3000111.9M1 E50 Y51 F52 Y56 H57 K58M1-D54 HydrophobicContact CE-CB 3.62Å; M1-D54 VanDerWaalsContact SD-CA 3.59Å; M1-D54 HydrophobicContact SD-CB 3.53Å; M1-D54 VanDerWaalsContact SD-CB 3.53Å; M1-D54 VanDerWaalsContact SD-OD1 3.4Å; E50-D54 PolarHBondContact O-N 3.42Å; Y51-D54 PolarHBondContact O-N 3.48Å; F52-D54 VanDerWaalsContact C-N 3.33Å; F52-D54 PolarHBondContact O-N 3.19Å; D54-Y56 PolarHBondContact O-N 3.46Å; D54-H57 WeakPolarHBondContact O-CB 3.46Å; D54-H57 PolarHBondContact O-N 2.6Å; D54-K58 WeakPolarHBondContact O-CG 3.24Å; D54-K58 PolarHBondContact O-N 3.17Å; D54-K58 WeakPolarHBondContact OD2-CE 3.38Å; D54-K58 IonicContact OD2-NZ 3.85Å; D54-K58 PolarHBondContact OD2-NZ 3.26Å
55H79.2Confident75.5Confident64 Ų6483.2 Ų83.230%0.29636%0.362SS..Hα-helixtrans-65.6-40.7179.6-85.672.9000112.3M41 Y51 F52 H57 K58 W59M41-H55 HydrophobicContact CE-CB 3.62Å; Y51-H55 AromaticContact CD1-ND1 3.95Å; Y51-H55 AromaticContact CD2-CE1 3.87Å; Y51-H55 AromaticContact CD2-ND1 3.8Å; Y51-H55 AromaticContact CE1-CE1 3.84Å; Y51-H55 AromaticContact CE1-ND1 3.61Å; Y51-H55 AromaticContact CE2-CE1 3.13Å; Y51-H55 WeakPolarHBondContact CE2-CE1 3.47Å; Y51-H55 AromaticContact CE2-ND1 3.46Å; Y51-H55 WeakPolarHBondContact CE2-ND1 3.49Å; Y51-H55 AromaticContact CZ-CE1 3.1Å; Y51-H55 AromaticContact CZ-ND1 3.36Å; Y51-H55 AromaticContact CZ-NE2 3.67Å; Y51-H55 PolarHBondContact O-N 3.36Å; Y51-H55 PolarHBondContact O-ND1 3.13Å; Y51-H55 PolarHBondContact OH-CE1 2.99Å; Y51-H55 PolarHBondContact OH-NE2 3.01Å; F52-H55 PolarHBondContact O-N 2.99Å; H55-H57 VanDerWaalsContact C-N 3.29Å; H55-H57 PolarHBondContact O-N 3.22Å; H55-K58 PolarHBondContact O-N 3.33Å; H55-W59 WeakPolarHBondContact O-CB 3.16Å; H55-W59 PolarHBondContact O-N 2.92Å
56Y79.1Confident76.8Confident41 Ų4182.4 Ų82.416%0.16136%0.363CS..Hα-helixtrans-60.7-40.6173.1176.2-97.1000111.3N9 M41 F52 D54 W59 C60N9-Y56 WeakPolarHBondContact CB-OH 3.45Å; N9-Y56 PolarHBondContact OD1-OH 3.38Å; M41-Y56 HydrophobicContact SD-CD2 4.4Å; F52-Y56 VanDerWaalsContact O-CB 3.23Å; F52-Y56 WeakPolarHBondContact O-CB 3.43Å; F52-Y56 PolarHBondContact O-N 3.25Å; D54-Y56 PolarHBondContact O-N 3.46Å; Y56-W59 HydrophobicContact CD2-CE3 4.31Å; Y56-W59 HydrophobicContact CE2-CE3 4.07Å; Y56-W59 HydrophobicContact CE2-CZ3 4.17Å; Y56-W59 PolarHBondContact O-N 3.42Å; Y56-C60 WeakPolarHBondContact O-CB 3.37Å; Y56-C60 PolarHBondContact O-N 3.48Å
57H83.1Confident77.7Confident39 Ų3972.7 Ų72.718%0.18132%0.324CS..Hα-helixtrans-63.9-47.1177.1-166.647.6000112.3A4 S5 I53 D54 H55 W59 C60 I61A4-H57 VanDerWaalsContact C-CE1 3.41Å; A4-H57 PolarHBondContact O-CE1 3.05Å; A4-H57 PolarHBondContact O-ND1 3.39Å; S5-H57 WeakPolarHBondContact CA-ND1 3.44Å; S5-H57 WeakPolarHBondContact OG-CB 3.31Å; I53-H57 WeakPolarHBondContact O-CB 3.45Å; I53-H57 PolarHBondContact O-N 3.32Å; D54-H57 WeakPolarHBondContact O-CB 3.46Å; D54-H57 PolarHBondContact O-N 2.6Å; H55-H57 VanDerWaalsContact C-N 3.29Å; H55-H57 PolarHBondContact O-N 3.22Å; H57-W59 VanDerWaalsContact C-N 3.31Å; H57-W59 PolarHBondContact O-N 3.09Å; H57-C60 PolarHBondContact O-N 3.06Å; H57-I61 WeakPolarHBondContact O-CG1 3.3Å; H57-I61 PolarHBondContact O-N 3.14Å
58K84.3Confident79Confident114 Ų11466.4 Ų66.450%0.49630%0.304SS..Hα-helixtrans-58.2-44.1175.9-74.3170.4176.5162.40111.6D54 H55 I61 F62D54-K58 WeakPolarHBondContact O-CG 3.24Å; D54-K58 PolarHBondContact O-N 3.17Å; D54-K58 WeakPolarHBondContact OD2-CE 3.38Å; D54-K58 IonicContact OD2-NZ 3.85Å; D54-K58 PolarHBondContact OD2-NZ 3.26Å; H55-K58 PolarHBondContact O-N 3.33Å; K58-I61 PolarHBondContact O-N 3.05Å; K58-F62 WeakPolarHBondContact O-CB 3.48Å; K58-F62 PolarHBondContact O-N 3.45Å
59W81.3Confident79.8Confident27 Ų2766.5 Ų66.510%0.10230%0.304CS..Hα-helixtrans-59.2-49.4174.417475.6000111.7S34 L37 H55 Y56 H57 I61 F62 Y63S34-W59 VanDerWaalsContact OG-CZ2 3.29Å; S34-W59 WeakPolarHBondContact OG-CZ2 3.45Å; L37-W59 HydrophobicContact CD2-CB 3.76Å; L37-W59 HydrophobicContact CD2-CD2 3.86Å; L37-W59 HydrophobicContact CD2-CG 3.19Å; H55-W59 WeakPolarHBondContact O-CB 3.16Å; H55-W59 PolarHBondContact O-N 2.92Å; Y56-W59 HydrophobicContact CD2-CE3 4.31Å; Y56-W59 HydrophobicContact CE2-CE3 4.07Å; Y56-W59 HydrophobicContact CE2-CZ3 4.17Å; Y56-W59 PolarHBondContact O-N 3.42Å; H57-W59 VanDerWaalsContact C-N 3.31Å; H57-W59 PolarHBondContact O-N 3.09Å; W59-I61 VanDerWaalsContact C-N 3.31Å; W59-I61 PolarHBondContact O-N 3.03Å; W59-F62 PolarHBondContact O-N 3.1Å; W59-Y63 AromaticContact CD1-CD2 3.27Å; W59-Y63 AromaticContact CD1-CE2 3.19Å; W59-Y63 HydrophobicContact CD2-CD2 4.1Å; W59-Y63 AromaticContact CE2-CD2 3.5Å; W59-Y63 AromaticContact CE2-CE2 3.79Å; W59-Y63 AromaticContact CE2-CG 3.91Å; W59-Y63 HydrophobicContact CG-CD2 4Å; W59-Y63 HydrophobicContact CG-CE2 4.29Å; W59-Y63 HydrophobicContact CZ2-CD1 4.26Å; W59-Y63 HydrophobicContact CZ2-CD2 4.04Å; W59-Y63 HydrophobicContact CZ2-CE2 4.42Å; W59-Y63 AromaticContact CZ2-CG 3.97Å; W59-Y63 HydrophobicContact CZ2-CG 3.97Å; W59-Y63 AromaticContact NE1-CD2 3.05Å; W59-Y63 AromaticContact NE1-CE2 2.89Å; W59-Y63 AromaticContact NE1-CG 3.84Å; W59-Y63 AromaticContact NE1-CZ 3.54Å; W59-Y63 WeakPolarHBondContact O-CD2 3.36Å; W59-Y63 PolarHBondContact O-N 3.42Å
60C83.6Confident80.2Confident0 Ų064.9 Ų64.90%030%0.295CS..Hα-helixtrans-59.7-43.5-178.5178.70000111.7C8 N9 Y56 H57 Y63 L64C8-C60 HydrophobicContact CB-CB 3.97Å; C8-C60 WeakPolarHBondContact CB-SG 2.98Å; C8-C60 PolarHBondContact O-SG 3.28Å; C8-C60 VanDerWaalsContact O-SG 3.41Å; C8-C60 WeakPolarHBondContact SG-CB 3.23Å; C8-C60 CovalentContact SG-SG 2.03Å; C8-C60 PolarHBondContact SG-SG 2.99Å; N9-C60 PolarHBondContact N-SG 3.13Å; N9-C60 VanDerWaalsContact N-SG 3.37Å; Y56-C60 WeakPolarHBondContact O-CB 3.37Å; Y56-C60 PolarHBondContact O-N 3.48Å; H57-C60 PolarHBondContact O-N 3.06Å; C60-Y63 PolarHBondContact O-N 3.22Å; C60-L64 VanDerWaalsContact O-CB 3.24Å; C60-L64 WeakPolarHBondContact O-CB 3.44Å; C60-L64 PolarHBondContact O-N 3.35Å
61I86.8Confident80.6Confident69 Ų6958.3 Ų58.335%0.35427%0.266SS..Hα-helixtrans-60.7-49.3176.7-69.5168.3000110.8C8 H57 K58 W59 Y63 L64 Q65C8-I61 PolarHBondContact SG-N 2.9Å; H57-I61 WeakPolarHBondContact O-CG1 3.3Å; H57-I61 PolarHBondContact O-N 3.14Å; K58-I61 PolarHBondContact O-N 3.05Å; W59-I61 VanDerWaalsContact C-N 3.31Å; W59-I61 PolarHBondContact O-N 3.03Å; I61-Y63 VanDerWaalsContact C-N 3.35Å; I61-Y63 PolarHBondContact O-N 3.34Å; I61-L64 PolarHBondContact O-N 3.42Å; I61-Q65 WeakPolarHBondContact O-CG 2.98Å; I61-Q65 PolarHBondContact O-N 3.43Å
62F84.5Confident80.9Confident105 Ų10557.1 Ų57.146%0.46126%0.264SS..Hα-helixtrans-57.5-47.7-179-179.9-92.9000111.6K58 W59 Q65 H66K58-F62 WeakPolarHBondContact O-CB 3.48Å; K58-F62 PolarHBondContact O-N 3.45Å; W59-F62 PolarHBondContact O-N 3.1Å; F62-Q65 PolarHBondContact O-N 3.31Å; F62-H66 AromaticContact CD1-CD2 3.88Å; F62-H66 AromaticContact CE1-CD2 3.47Å; F62-H66 VanDerWaalsContact CE1-CD2 3.47Å; F62-H66 WeakPolarHBondContact CE1-CD2 3.45Å; F62-H66 AromaticContact CE1-NE2 3.5Å; F62-H66 AromaticContact CE2-NE2 3.79Å; F62-H66 AromaticContact CZ-CD2 3.59Å; F62-H66 AromaticContact CZ-NE2 3.18Å; F62-H66 WeakPolarHBondContact CZ-NE2 3.43Å; F62-H66 PolarHBondContact O-CD2 3.02Å; F62-H66 PolarHBondContact O-N 3.37Å; F62-H66 VanDerWaalsContact O-N 3.14Å
63Y79.3Confident81.1Confident39 Ų3957.5 Ų57.515%0.15328%0.275CS..Hα-helixtrans-72.7-34.5-179.1-84.2-99.3000113.2L30 P33 W59 C60 I61 Q65 H66 I67L30-Y63 HydrophobicContact CB-CD1 4.49Å; L30-Y63 HydrophobicContact CD2-CD1 3.79Å; L30-Y63 HydrophobicContact CD2-CE1 3.95Å; P33-Y63 HydrophobicContact CB-CE1 4.06Å; P33-Y63 WeakPolarHBondContact CB-OH 3.5Å; W59-Y63 AromaticContact CD1-CD2 3.27Å; W59-Y63 AromaticContact CD1-CE2 3.19Å; W59-Y63 HydrophobicContact CD2-CD2 4.1Å; W59-Y63 AromaticContact CE2-CD2 3.5Å; W59-Y63 AromaticContact CE2-CE2 3.79Å; W59-Y63 AromaticContact CE2-CG 3.91Å; W59-Y63 HydrophobicContact CG-CD2 4Å; W59-Y63 HydrophobicContact CG-CE2 4.29Å; W59-Y63 HydrophobicContact CZ2-CD1 4.26Å; W59-Y63 HydrophobicContact CZ2-CD2 4.04Å; W59-Y63 HydrophobicContact CZ2-CE2 4.42Å; W59-Y63 AromaticContact CZ2-CG 3.97Å; W59-Y63 HydrophobicContact CZ2-CG 3.97Å; W59-Y63 AromaticContact NE1-CD2 3.05Å; W59-Y63 AromaticContact NE1-CE2 2.89Å; W59-Y63 AromaticContact NE1-CG 3.84Å; W59-Y63 AromaticContact NE1-CZ 3.54Å; W59-Y63 WeakPolarHBondContact O-CD2 3.36Å; W59-Y63 PolarHBondContact O-N 3.42Å; C60-Y63 PolarHBondContact O-N 3.22Å; I61-Y63 VanDerWaalsContact C-N 3.35Å; I61-Y63 PolarHBondContact O-N 3.34Å; Y63-Q65 VanDerWaalsContact C-N 3.3Å; Y63-Q65 PolarHBondContact O-N 2.93Å; Y63-H66 PolarHBondContact O-N 3.05Å; Y63-I67 WeakPolarHBondContact O-CG1 3.13Å; Y63-I67 PolarHBondContact O-N 2.03Å
64L83.1Confident80.9Confident24 Ų2457.1 Ų57.113%0.12627%0.273CS..Hα-helixtrans-59-44.1172.8179.563.1000110.9R11 C60 I61 I67 I68R11-L64 HydrophobicContact CB-CD1 4.31Å; R11-L64 HydrophobicContact CB-CD2 4.07Å; C60-L64 VanDerWaalsContact O-CB 3.24Å; C60-L64 WeakPolarHBondContact O-CB 3.44Å; C60-L64 PolarHBondContact O-N 3.35Å; I61-L64 PolarHBondContact O-N 3.42Å; L64-I67 PolarHBondContact O-N 3.41Å; L64-I68 HydrophobicContact CD1-CD1 4.28Å; L64-I68 HydrophobicContact CG-CD1 4.08Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.48Å; L64-I68 PolarHBondContact O-N 2.94Å; L64-I68 VanDerWaalsContact O-N 3.09Å
65Q84.7Confident80.6Confident107 Ų10761.6 Ų61.650%0.529%0.292SS..Hα-helixtrans-61.6-43.5175.3-72.5177.7-22.200112.2I61 F62 Y63 I67 I68 H69I61-Q65 WeakPolarHBondContact O-CG 2.98Å; I61-Q65 PolarHBondContact O-N 3.43Å; F62-Q65 PolarHBondContact O-N 3.31Å; Y63-Q65 VanDerWaalsContact C-N 3.3Å; Y63-Q65 PolarHBondContact O-N 2.93Å; Q65-I67 VanDerWaalsContact C-N 3.35Å; Q65-I67 PolarHBondContact O-N 3.46Å; Q65-I68 PolarHBondContact O-N 3.49Å; Q65-H69 PolarHBondContact O-N 2.84Å
66H80.9Confident80.5Confident91 Ų9165.5 Ų65.542%0.42131%0.309SS..Hα-helixtrans-60.4-41.5176.9-92.7-87.7000112.9F62 Y63 F70F62-H66 AromaticContact CD1-CD2 3.88Å; F62-H66 AromaticContact CE1-CD2 3.47Å; F62-H66 VanDerWaalsContact CE1-CD2 3.47Å; F62-H66 WeakPolarHBondContact CE1-CD2 3.45Å; F62-H66 AromaticContact CE1-NE2 3.5Å; F62-H66 AromaticContact CE2-NE2 3.79Å; F62-H66 AromaticContact CZ-CD2 3.59Å; F62-H66 AromaticContact CZ-NE2 3.18Å; F62-H66 WeakPolarHBondContact CZ-NE2 3.43Å; F62-H66 PolarHBondContact O-CD2 3.02Å; F62-H66 PolarHBondContact O-N 3.37Å; F62-H66 VanDerWaalsContact O-N 3.14Å; Y63-H66 PolarHBondContact O-N 3.05Å; H66-F70 WeakPolarHBondContact O-CB 3.46Å; H66-F70 PolarHBondContact O-N 2.89Å
67I76.8Confident80.1Confident0 Ų067.8 Ų67.80%033%0.326CS..Hα-helixtrans-65.1-42.9176.9-69164.2000111F12 T15 M16 T26 L30 Y63 L64 Q65 F70 N71F12-I67 HydrophobicContact CD2-CD1 3.47Å; F12-I67 VanDerWaalsContact CD2-CD1 3.47Å; F12-I67 HydrophobicContact CE2-CD1 3.13Å; F12-I67 HydrophobicContact CE2-CG1 4.41Å; F12-I67 HydrophobicContact CG-CD1 4.34Å; F12-I67 HydrophobicContact CZ-CD1 3.77Å; T15-I67 HydrophobicContact CG2-CB 4.47Å; T15-I67 HydrophobicContact CG2-CG2 3.53Å; M16-I67 HydrophobicContact CG-CD1 3.77Å; M16-I67 HydrophobicContact SD-CD1 3.61Å; M16-I67 HydrophobicContact SD-CG1 4.2Å; T26-I67 HydrophobicContact CG2-CG1 4.46Å; L30-I67 HydrophobicContact CD1-CD1 3.81Å; L30-I67 HydrophobicContact CD1-CG1 3.21Å; Y63-I67 WeakPolarHBondContact O-CG1 3.13Å; Y63-I67 PolarHBondContact O-N 2.03Å; L64-I67 PolarHBondContact O-N 3.41Å; Q65-I67 VanDerWaalsContact C-N 3.35Å; Q65-I67 PolarHBondContact O-N 3.46Å; I67-F70 PolarHBondContact O-N 3.39Å; I67-N71 WeakPolarHBondContact O-CB 3.34Å; I67-N71 VanDerWaalsContact O-CG 3.29Å; I67-N71 PolarHBondContact O-N 3.17Å
68I83.3Confident79.1Confident67 Ų6767.2 Ų67.234%0.34433%0.331SS..Hα-helixtrans-60.3-52.8179.1-68.5165.8000109.7T15 L64 Q65 F70 N71 E72T15-I68 HydrophobicContact CG2-CG1 4.12Å; L64-I68 HydrophobicContact CD1-CD1 4.28Å; L64-I68 HydrophobicContact CG-CD1 4.08Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.48Å; L64-I68 PolarHBondContact O-N 2.94Å; L64-I68 VanDerWaalsContact O-N 3.09Å; Q65-I68 PolarHBondContact O-N 3.49Å; I68-F70 VanDerWaalsContact C-N 3.28Å; I68-F70 PolarHBondContact O-N 3.45Å; I68-N71 PolarHBondContact O-N 3.44Å; I68-E72 WeakPolarHBondContact O-CG 3.46Å; I68-E72 PolarHBondContact O-N 2.96Å
69H82.2Confident77.7Confident118 Ų11869.6 Ų69.655%0.54634%0.338SS..Hα-helixtrans-60.9-37.1177.6-68.7160.8000112.8Q65 E72 A73Q65-H69 PolarHBondContact O-N 2.84Å; H69-E72 IonicContact CD2-OE2 3.79Å; H69-E72 PolarHBondContact O-N 3.28Å; H69-A73 VanDerWaalsContact O-CB 3.27Å; H69-A73 WeakPolarHBondContact O-CB 3.48Å; H69-A73 PolarHBondContact O-N 2.94Å
70F76.8Confident76.4Confident64 Ų6474 Ų7428%0.28136%0.364SS..Hα-helixtrans-65.3-46.2176.6-179.8-109.2000111.5I25 T26 H66 I67 I68 E72 A73 I74I25-F70 HydrophobicContact CG2-CZ 3.77Å; T26-F70 HydrophobicContact CG2-CD1 4.4Å; T26-F70 HydrophobicContact CG2-CE1 4.49Å; T26-F70 WeakPolarHBondContact OG1-CE1 3.34Å; H66-F70 WeakPolarHBondContact O-CB 3.46Å; H66-F70 PolarHBondContact O-N 2.89Å; I67-F70 PolarHBondContact O-N 3.39Å; I68-F70 VanDerWaalsContact C-N 3.28Å; I68-F70 PolarHBondContact O-N 3.45Å; F70-E72 VanDerWaalsContact C-N 3.34Å; F70-E72 PolarHBondContact O-N 3.38Å; F70-A73 PolarHBondContact O-N 3.05Å; F70-I74 HydrophobicContact CD1-CD1 3.51Å; F70-I74 HydrophobicContact CD1-CG1 4.47Å; F70-I74 HydrophobicContact CD2-CD1 4.24Å; F70-I74 HydrophobicContact CD2-CG1 4.47Å; F70-I74 HydrophobicContact CE1-CD1 3.07Å; F70-I74 HydrophobicContact CE1-CG1 4.2Å; F70-I74 HydrophobicContact CE2-CD1 3.87Å; F70-I74 HydrophobicContact CE2-CG1 4.17Å; F70-I74 HydrophobicContact CG-CD1 4.08Å; F70-I74 HydrophobicContact CZ-CD1 3.28Å; F70-I74 HydrophobicContact CZ-CG1 4.03Å; F70-I74 VanDerWaalsContact O-CG1 3.25Å; F70-I74 WeakPolarHBondContact O-CG1 3.45Å; F70-I74 PolarHBondContact O-N 2.95Å
71N75.1Confident74.8Confident25 Ų2581.5 Ų81.513%0.13440%0.396CS..Hα-helixtrans-59.8-45.4175.5-74.8-17.8000111.1S19 I67 I68 A73 I74 E75S19-N71 WeakPolarHBondContact CB-OD1 3.27Å; S19-N71 VanDerWaalsContact OG-CG 3.24Å; S19-N71 PolarHBondContact OG-ND2 3.43Å; S19-N71 PolarHBondContact OG-OD1 3.44Å; I67-N71 WeakPolarHBondContact O-CB 3.34Å; I67-N71 VanDerWaalsContact O-CG 3.29Å; I67-N71 PolarHBondContact O-N 3.17Å; I68-N71 PolarHBondContact O-N 3.44Å; N71-A73 PolarHBondContact O-N 3.2Å; N71-I74 PolarHBondContact O-N 3.3Å; N71-E75 WeakPolarHBondContact O-CG 3.41Å; N71-E75 PolarHBondContact O-N 3.38Å
72E81.6Confident73.1Confident89 Ų8982.3 Ų82.342%0.41641%0.405SS..Hα-helixtrans-60.8-43.5175.4-71.9175.1177.700112.4I68 H69 F70 I74 E75 K76I68-E72 WeakPolarHBondContact O-CG 3.46Å; I68-E72 PolarHBondContact O-N 2.96Å; H69-E72 IonicContact CD2-OE2 3.79Å; H69-E72 PolarHBondContact O-N 3.28Å; F70-E72 VanDerWaalsContact C-N 3.34Å; F70-E72 PolarHBondContact O-N 3.38Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.01Å; E72-E75 PolarHBondContact O-N 2.95Å; E72-K76 WeakPolarHBondContact O-CG 3.37Å; E72-K76 PolarHBondContact O-N 3.11Å
73A78Confident71.4Confident49 Ų4984.8 Ų84.841%0.40542%0.416SS..Hα-helixtrans-62.5-41.517800000111H69 F70 N71 K76 V77H69-A73 VanDerWaalsContact O-CB 3.27Å; H69-A73 WeakPolarHBondContact O-CB 3.48Å; H69-A73 PolarHBondContact O-N 2.94Å; F70-A73 PolarHBondContact O-N 3.05Å; N71-A73 PolarHBondContact O-N 3.2Å; A73-K76 PolarHBondContact O-N 3.38Å; A73-V77 WeakPolarHBondContact O-CG2 3.34Å; A73-V77 PolarHBondContact O-N 3.34Å; A73-V77 VanDerWaalsContact O-N 3.08Å
74I73.6Confident69.9Low20 Ų2091.3 Ų91.310%0.10345%0.445CS..Hα-helixtrans-69.3-42.4177.2-65.9165.4000111.9Y22 F70 N71 E72 K76 V77 G78Y22-I74 HydrophobicContact CD1-CD1 3.99Å; Y22-I74 HydrophobicContact CD1-CG2 4.04Å; Y22-I74 HydrophobicContact CD2-CB 4.41Å; Y22-I74 HydrophobicContact CD2-CD1 3.77Å; Y22-I74 HydrophobicContact CD2-CG2 3.55Å; Y22-I74 HydrophobicContact CE1-CG2 3.58Å; Y22-I74 HydrophobicContact CE2-CB 4.26Å; Y22-I74 HydrophobicContact CE2-CD1 4.39Å; Y22-I74 HydrophobicContact CE2-CG2 3.04Å; Y22-I74 HydrophobicContact CG-CD1 3.55Å; Y22-I74 HydrophobicContact CG-CG2 4.02Å; Y22-I74 VanDerWaalsContact OH-CG2 3.31Å; Y22-I74 WeakPolarHBondContact OH-CG2 3.39Å; F70-I74 HydrophobicContact CD1-CD1 3.51Å; F70-I74 HydrophobicContact CD1-CG1 4.47Å; F70-I74 HydrophobicContact CD2-CD1 4.24Å; F70-I74 HydrophobicContact CD2-CG1 4.47Å; F70-I74 HydrophobicContact CE1-CD1 3.07Å; F70-I74 HydrophobicContact CE1-CG1 4.2Å; F70-I74 HydrophobicContact CE2-CD1 3.87Å; F70-I74 HydrophobicContact CE2-CG1 4.17Å; F70-I74 HydrophobicContact CG-CD1 4.08Å; F70-I74 HydrophobicContact CZ-CD1 3.28Å; F70-I74 HydrophobicContact CZ-CG1 4.03Å; F70-I74 VanDerWaalsContact O-CG1 3.25Å; F70-I74 WeakPolarHBondContact O-CG1 3.45Å; F70-I74 PolarHBondContact O-N 2.95Å; N71-I74 PolarHBondContact O-N 3.3Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.01Å; I74-K76 PolarHBondContact O-N 3.39Å; I74-V77 CarbonylContact O-C 3.48Å; I74-V77 PolarHBondContact O-N 2.96Å; I74-G78 PolarHBondContact O-N 3.49Å
75E76Confident68.4Low141 Ų14196.9 Ų96.966%0.65948%0.475SS*.Hα-helixtrans-56.4-43.3175.6-79.2-177174.800110.7N71 E72 V77 G78 Y79N71-E75 WeakPolarHBondContact O-CG 3.41Å; N71-E75 PolarHBondContact O-N 3.38Å; E72-E75 PolarHBondContact O-N 2.95Å; E75-V77 PolarHBondContact O-N 3.49Å; E75-G78 PolarHBondContact O-N 3.28Å; E75-Y79 WeakPolarHBondContact O-CB 3.22Å; E75-Y79 PolarHBondContact O-N 2.99Å
76K76.3Confident66.6Low147 Ų14798.6 Ų98.664%0.63949%0.487SS*.Hα-helixtrans-59.9-42173.7-70.6174.1-173.9176.40112.7E72 A73 I74 N80E72-K76 WeakPolarHBondContact O-CG 3.37Å; E72-K76 PolarHBondContact O-N 3.11Å; A73-K76 PolarHBondContact O-N 3.38Å; I74-K76 PolarHBondContact O-N 3.39Å; K76-N80 WeakPolarHBondContact O-CB 3.33Å; K76-N80 PolarHBondContact O-N 3.05Å
77V70.6Confident64.7Low88 Ų88105.5 Ų105.553%0.53353%0.527SS..Hα-helixtrans-69.9-38.9177.8173.80000111.7A73 I74 E75 N80 K81A73-V77 WeakPolarHBondContact O-CG2 3.34Å; A73-V77 PolarHBondContact O-N 3.34Å; A73-V77 VanDerWaalsContact O-N 3.08Å; I74-V77 CarbonylContact O-C 3.48Å; I74-V77 PolarHBondContact O-N 2.96Å; E75-V77 PolarHBondContact O-N 3.49Å; V77-N80 PolarHBondContact O-N 3.25Å; V77-K81 PolarHBondContact O-N 3.45Å
78G63Low64.1Low28 Ų28110.8 Ų110.829%0.28955%0.554SS.*Hα-helixtrans-64.7-45.217700000111.9I74 E75 N80 K81 T82I74-G78 PolarHBondContact O-N 3.49Å; E75-G78 PolarHBondContact O-N 3.28Å; G78-N80 VanDerWaalsContact C-N 3.3Å; G78-N80 PolarHBondContact O-N 3.21Å; G78-K81 PolarHBondContact O-N 3.1Å; G78-K81 VanDerWaalsContact O-N 3.13Å; G78-T82 PolarHBondContact O-N 3.48Å; G78-T82 PolarHBondContact O-OG1 3.21Å
79Y54.1Low63.1Low164 Ų164113.1 Ų113.164%0.64357%0.565SS**Hα-helixtrans-61.1-38.2175.4-123.9-96.3000112.2E75 K81 T82 F83E75-Y79 WeakPolarHBondContact O-CB 3.22Å; E75-Y79 PolarHBondContact O-N 2.99Å; Y79-K81 PolarHBondContact O-N 3.31Å; Y79-T82 PolarHBondContact O-N 3.43Å; Y79-T82 PolarHBondContact O-OG1 2.67Å; Y79-F83 HydrophobicContact CD1-CD2 4.12Å; Y79-F83 AromaticContact CD1-CE2 3.83Å; Y79-F83 HydrophobicContact CD1-CE2 3.83Å; Y79-F83 HydrophobicContact CE1-CD2 4.44Å; Y79-F83 AromaticContact CE1-CE2 3.69Å; Y79-F83 HydrophobicContact CE1-CE2 3.69Å; Y79-F83 PolarHBondContact O-N 3.42Å
80N54.4Low62Low118 Ų118112.8 Ų112.863%0.63157%0.566SS**Hα-helixtrans-69.2-17.5177.2-93.6-8.8000114.3K76 V77 G78K76-N80 WeakPolarHBondContact O-CB 3.33Å; K76-N80 PolarHBondContact O-N 3.05Å; V77-N80 PolarHBondContact O-N 3.25Å; G78-N80 VanDerWaalsContact C-N 3.3Å; G78-N80 PolarHBondContact O-N 3.21Å
81K50.7Low61.2Low158 Ų158115.6 Ų115.669%0.68758%0.582SS**Hα-helixtrans-84.5-28.9173.9-77.2-174.1176.9-177.80112.8V77 G78 Y79V77-K81 PolarHBondContact O-N 3.45Å; G78-K81 PolarHBondContact O-N 3.1Å; G78-K81 VanDerWaalsContact O-N 3.13Å; Y79-K81 PolarHBondContact O-N 3.31Å
82T50.6Low60.3Low87 Ų87121.3 Ų121.353%0.53461%0.61SS.*Hα-helixtrans-74.9-30.1178.428.30000113.5G78 Y79 K84G78-T82 PolarHBondContact O-N 3.48Å; G78-T82 PolarHBondContact O-OG1 3.21Å; Y79-T82 PolarHBondContact O-N 3.43Å; Y79-T82 PolarHBondContact O-OG1 2.67Å; T82-K84 PolarHBondContact O-N 3.4Å
83F48.6Very low58.9Low156 Ų156123.5 Ų123.568%0.68462%0.623SS**THydrogen-bonded Turntrans-85.61.3179.8-84.8-85.6000115.5Y79Y79-F83 HydrophobicContact CD1-CD2 4.12Å; Y79-F83 AromaticContact CD1-CE2 3.83Å; Y79-F83 HydrophobicContact CD1-CE2 3.83Å; Y79-F83 HydrophobicContact CE1-CD2 4.44Å; Y79-F83 AromaticContact CE1-CE2 3.69Å; Y79-F83 HydrophobicContact CE1-CE2 3.69Å; Y79-F83 PolarHBondContact O-N 3.42Å
84K48.5Very low57.5Low177 Ų177128.8 Ų128.877%0.7764%0.639SS**THydrogen-bonded Turntrans-103.23179.2-81.8-168.8174.2-172.40114.7T82T82-K84 PolarHBondContact O-N 3.4Å
85N51.7Low56.3Low141 Ų141137.2 Ų137.275%0.75468%0.68SS**SBendtrans-116.34.2-177.7-80.9-3.4000114.6
86D46.6Very low54.6Low142 Ų142136.8 Ų136.876%0.75968%0.682SS**  trans-116.211.2-175.8-78.2-19.5000114.9
87D40.7Very low52.7Low236 Ų236135.9 Ų135.9100%1.26269%0.686SS**  trans-139.60170.8-79.2-41.7000112.6

Retrieved 87 of 87 residues in 348.3 ms (Link to these results)