A0A093I1H4_STRCA Loading...

LYR motif-containing protein 1

AlphaFold DB , UniProt , Accession A0A093I1H4, Species STRCA (Struthio camelus australis), Gene n/a, Length 122 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
1M60.1Low82.7Confident128 Ų12884.2 Ų84.263%0.63145%0.451SS*.  01210-172.7164.4165.500108R6 V9 I60M1-R6 VanDerWaalsContact CE-CA 3.44Å; M1-R6 HydrophobicContact CE-CB 3.59Å; M1-R6 HydrophobicContact CE-CG 3.78Å; M1-V9 HydrophobicContact CE-CG2 4.48Å; M1-I60 HydrophobicContact CG-CD1 4.41Å
2T73.9Confident83.7Confident69 Ų6978.3 Ų78.342%0.42342%0.419SS..  trans-74.1152-179.8780000109.9V4 T5 R6T2-V4 PolarHBondContact O-N 3.27Å; T2-T5 PolarHBondContact O-N 3.07Å; T2-T5 PolarHBondContact OG1-N 3.29Å; T2-T5 PolarHBondContact OG1-OG1 3.4Å; T2-R6 PolarHBondContact O-N 3.22Å; T2-R6 VanDerWaalsContact O-N 3.13Å
3P70.5Confident84.6Confident99 Ų9977.2 Ų77.264%0.64341%0.406SS*.Hα-helixtrans-59.8-34.1178.622.1-32.8000112.7R6 Q7P3-R6 PolarHBondContact O-N 3.42Å; P3-Q7 WeakPolarHBondContact O-CG 3.3Å; P3-Q7 PolarHBondContact O-N 2.94Å; P3-Q7 VanDerWaalsContact O-N 3.16Å
4V71.9Confident85.4Confident88 Ų8883.9 Ų83.953%0.53342%0.423SS..Hα-helixtrans-63.4-51.1177.1-179.80000110.5T2 R6 Q7 E8T2-V4 PolarHBondContact O-N 3.27Å; V4-R6 PolarHBondContact O-N 3.21Å; V4-Q7 PolarHBondContact O-N 3.38Å; V4-E8 PolarHBondContact O-N 3.47Å; V4-E8 VanDerWaalsContact O-N 3.13Å
5T82.7Confident86.1Confident25 Ų2585.2 Ų85.215%0.15343%0.425CS..Hα-helixtrans-62-32.6178.9-45.70000112T2 V9 I60T2-T5 PolarHBondContact O-N 3.07Å; T2-T5 PolarHBondContact OG1-N 3.29Å; T2-T5 PolarHBondContact OG1-OG1 3.4Å; T5-V9 WeakPolarHBondContact O-CG2 3.47Å; T5-V9 PolarHBondContact O-N 3.04Å; T5-V9 VanDerWaalsContact O-N 3.08Å; T5-I60 HydrophobicContact CG2-CB 4.25Å; T5-I60 HydrophobicContact CG2-CD1 4.49Å; T5-I60 HydrophobicContact CG2-CG2 3.38Å
6R87.1Confident86.7Confident145 Ų14580.8 Ų80.855%0.54740%0.403SS..Hα-helixtrans-66.2-40.7175.4-174.9170.6-176-79.21.4112.7M1 T2 P3 V4 L10M1-R6 VanDerWaalsContact CE-CA 3.44Å; M1-R6 HydrophobicContact CE-CB 3.59Å; M1-R6 HydrophobicContact CE-CG 3.78Å; T2-R6 PolarHBondContact O-N 3.22Å; T2-R6 VanDerWaalsContact O-N 3.13Å; P3-R6 PolarHBondContact O-N 3.42Å; V4-R6 PolarHBondContact O-N 3.21Å; R6-L10 HydrophobicContact CG-CD1 4.1Å; R6-L10 WeakPolarHBondContact O-CB 3.36Å; R6-L10 WeakPolarHBondContact O-CG 3.32Å; R6-L10 PolarHBondContact O-N 3.36Å; R6-L10 VanDerWaalsContact O-N 3.09Å
7Q90.8Very high87.2Confident143 Ų14379.8 Ų79.867%0.66840%0.396SS*.Hα-helixtrans-65.2-42.6177.8-72.3178.3-7.500111.1P3 V4 L10 G11P3-Q7 WeakPolarHBondContact O-CG 3.3Å; P3-Q7 PolarHBondContact O-N 2.94Å; P3-Q7 VanDerWaalsContact O-N 3.16Å; V4-Q7 PolarHBondContact O-N 3.38Å; Q7-L10 PolarHBondContact O-N 3.43Å; Q7-G11 PolarHBondContact O-N 2.99Å
8E91.6Very high87.7Confident103 Ų10382.3 Ų82.348%0.48141%0.406SS..Hα-helixtrans-59.5-51.2176.3-68.2171.9159.400111.7V4 L10 G11 L12 L64V4-E8 PolarHBondContact O-N 3.47Å; V4-E8 VanDerWaalsContact O-N 3.13Å; E8-L10 VanDerWaalsContact C-N 3.35Å; E8-L10 PolarHBondContact O-N 2.86Å; E8-G11 PolarHBondContact O-N 3.07Å; E8-L12 WeakPolarHBondContact O-CB 3.28Å; E8-L12 PolarHBondContact O-N 3.25Å; E8-L64 HydrophobicContact CB-CD1 4.32Å
9V92.6Very high88.1Confident28 Ų2879.4 Ų79.417%0.1739%0.392CS..Hα-helixtrans-57.3-46.6178.4171.90000111.5M1 T5 L12 Y13 F48 I60 L64M1-V9 HydrophobicContact CE-CG2 4.48Å; T5-V9 WeakPolarHBondContact O-CG2 3.47Å; T5-V9 PolarHBondContact O-N 3.04Å; T5-V9 VanDerWaalsContact O-N 3.08Å; V9-L12 PolarHBondContact O-N 2.65Å; V9-Y13 WeakPolarHBondContact O-CB 3.36Å; V9-Y13 PolarHBondContact O-N 2.85Å; V9-F48 HydrophobicContact CG1-CD1 4.2Å; V9-F48 HydrophobicContact CG1-CE1 3.83Å; V9-I60 HydrophobicContact CG2-CG2 3.98Å; V9-L64 HydrophobicContact CB-CD2 4.42Å; V9-L64 HydrophobicContact CG2-CD1 4.3Å; V9-L64 HydrophobicContact CG2-CD2 3.78Å; V9-L64 HydrophobicContact CG2-CG 4.25Å
10L93.6Very high88.5Confident60 Ų6075.6 Ų75.631%0.31437%0.373SS..Hα-helixtrans-70.9-34.1179.6-69.3176.6000112.7R6 Q7 E8 Y13 R14R6-L10 HydrophobicContact CG-CD1 4.1Å; R6-L10 WeakPolarHBondContact O-CB 3.36Å; R6-L10 WeakPolarHBondContact O-CG 3.32Å; R6-L10 PolarHBondContact O-N 3.36Å; R6-L10 VanDerWaalsContact O-N 3.09Å; Q7-L10 PolarHBondContact O-N 3.43Å; E8-L10 VanDerWaalsContact C-N 3.35Å; E8-L10 PolarHBondContact O-N 2.86Å; L10-Y13 PolarHBondContact O-N 3.26Å; L10-R14 VanDerWaalsContact O-CG 3.28Å; L10-R14 WeakPolarHBondContact O-CG 3.35Å; L10-R14 PolarHBondContact O-N 2.99Å
11G95.1Very high88.8Confident38 Ų3880.4 Ų80.439%0.39239%0.392SS..Hα-helixtrans-61.2-47.1173.600000111Q7 E8 R14 K15Q7-G11 PolarHBondContact O-N 2.99Å; E8-G11 PolarHBondContact O-N 3.07Å; G11-R14 PolarHBondContact O-N 3.43Å; G11-K15 PolarHBondContact O-N 2.85Å
12L94.4Very high90.4Very high13 Ų1382.7 Ų82.77%0.06840%0.399CS..Hα-helixtrans-65.1-43.7177.8-154.9157.7000111.2E8 V9 R14 K15 I16 F48 L64 C67 E68 I71E8-L12 WeakPolarHBondContact O-CB 3.28Å; E8-L12 PolarHBondContact O-N 3.25Å; V9-L12 PolarHBondContact O-N 2.65Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 2.69Å; L12-K15 WeakPolarHBondContact O-CB 3.29Å; L12-K15 PolarHBondContact O-N 3.21Å; L12-K15 VanDerWaalsContact O-N 3.15Å; L12-I16 HydrophobicContact CD2-CD1 4.01Å; L12-I16 HydrophobicContact CD2-CG1 4.35Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 3.35Å; L12-I16 VanDerWaalsContact O-N 3.14Å; L12-F48 HydrophobicContact CD2-CZ 4.29Å; L12-L64 HydrophobicContact CD1-CD2 3.85Å; L12-C67 HydrophobicContact CD1-CB 4.27Å; L12-C67 HydrophobicContact CD2-CB 3.7Å; L12-C67 WeakPolarHBondContact CD2-SG 3.4Å; L12-E68 HydrophobicContact CD1-CG 3.6Å; L12-I71 HydrophobicContact CD2-CD1 3.81Å; L12-I71 HydrophobicContact CG-CD1 4.45Å
13Y95.2Very high91.4Very high64 Ų6480 Ų8025%0.25138%0.381SS..Hα-helixtrans-54.2-49.7173.4-171.3-114000111.6V9 L10 K15 I16 F17 F48V9-Y13 WeakPolarHBondContact O-CB 3.36Å; V9-Y13 PolarHBondContact O-N 2.85Å; L10-Y13 PolarHBondContact O-N 3.26Å; Y13-K15 VanDerWaalsContact C-N 3.35Å; Y13-K15 PolarHBondContact O-N 3.29Å; Y13-I16 WeakPolarHBondContact O-CB 3.16Å; Y13-I16 PolarHBondContact O-N 3.23Å; Y13-F17 HydrophobicContact CD1-CD2 4.36Å; Y13-F17 AromaticContact CD1-CE2 3.84Å; Y13-F17 HydrophobicContact CD1-CE2 3.84Å; Y13-F17 HydrophobicContact CD2-CE2 4.01Å; Y13-F17 HydrophobicContact CE1-CD2 4.25Å; Y13-F17 AromaticContact CE1-CE2 3.4Å; Y13-F17 HydrophobicContact CE1-CE2 3.4Å; Y13-F17 VanDerWaalsContact CE1-CE2 3.4Å; Y13-F17 HydrophobicContact CE1-CZ 4.01Å; Y13-F17 AromaticContact CE2-CE2 3.61Å; Y13-F17 HydrophobicContact CE2-CE2 3.61Å; Y13-F17 HydrophobicContact CE2-CZ 4.13Å; Y13-F17 HydrophobicContact CG-CE2 4.13Å; Y13-F17 AromaticContact CZ-CE2 3.28Å; Y13-F17 AromaticContact CZ-CZ 3.62Å; Y13-F17 WeakPolarHBondContact O-CD2 3.44Å; Y13-F17 WeakPolarHBondContact OH-CZ 3.49Å; Y13-F48 HydrophobicContact CD2-CB 4.12Å; Y13-F48 AromaticContact CD2-CD1 3.5Å; Y13-F48 HydrophobicContact CD2-CD1 3.5Å; Y13-F48 VanDerWaalsContact CD2-CD1 3.5Å; Y13-F48 AromaticContact CD2-CD2 3.69Å; Y13-F48 HydrophobicContact CD2-CD2 3.69Å; Y13-F48 AromaticContact CD2-CE1 3.71Å; Y13-F48 HydrophobicContact CD2-CE1 3.71Å; Y13-F48 AromaticContact CD2-CE2 3.87Å; Y13-F48 HydrophobicContact CD2-CE2 3.87Å; Y13-F48 AromaticContact CD2-CG 3.48Å; Y13-F48 HydrophobicContact CD2-CG 3.48Å; Y13-F48 VanDerWaalsContact CD2-CG 3.48Å; Y13-F48 AromaticContact CD2-CZ 3.87Å; Y13-F48 HydrophobicContact CD2-CZ 3.87Å; Y13-F48 HydrophobicContact CE2-CB 4.01Å; Y13-F48 HydrophobicContact CE2-CD1 4.24Å; Y13-F48 HydrophobicContact CE2-CD2 4.12Å; Y13-F48 AromaticContact CE2-CG 3.86Å; Y13-F48 HydrophobicContact CE2-CG 3.86Å; Y13-F48 HydrophobicContact CG-CD1 4.07Å; Y13-F48 HydrophobicContact CG-CE1 4.04Å; Y13-F48 HydrophobicContact CG-CG 4.47Å; Y13-F48 HydrophobicContact CG-CZ 4.4Å
14R96Very high92.5Very high172 Ų17282.1 Ų82.165%0.64938%0.382SS*.Hα-helixtrans-62.3-39.6178.1-70.9169.4-177.4-1790.3112.6L10 G11 L12 I16 F17 Q18L10-R14 VanDerWaalsContact O-CG 3.28Å; L10-R14 WeakPolarHBondContact O-CG 3.35Å; L10-R14 PolarHBondContact O-N 2.99Å; G11-R14 PolarHBondContact O-N 3.43Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 2.69Å; R14-I16 VanDerWaalsContact C-N 3.25Å; R14-I16 PolarHBondContact O-N 3.07Å; R14-F17 PolarHBondContact O-N 3.22Å; R14-F17 VanDerWaalsContact O-N 3.17Å; R14-Q18 PolarHBondContact O-N 3.26Å; R14-Q18 VanDerWaalsContact O-N 3.1Å
15K95.9Very high93.4Very high103 Ų10378.3 Ų78.345%0.44836%0.36SS..Hα-helixtrans-57-40.2176.6-174.7-179.2177.5-176.80111.1G11 L12 Y13 F17 Q18 I19G11-K15 PolarHBondContact O-N 2.85Å; L12-K15 WeakPolarHBondContact O-CB 3.29Å; L12-K15 PolarHBondContact O-N 3.21Å; L12-K15 VanDerWaalsContact O-N 3.15Å; Y13-K15 VanDerWaalsContact C-N 3.35Å; Y13-K15 PolarHBondContact O-N 3.29Å; K15-F17 PolarHBondContact O-N 2.9Å; K15-Q18 WeakPolarHBondContact O-CB 3.45Å; K15-Q18 PolarHBondContact O-N 3.3Å; K15-I19 HydrophobicContact CG-CD1 4.13Å; K15-I19 WeakPolarHBondContact O-CG1 3.36Å; K15-I19 PolarHBondContact O-N 2.96Å
16I95.8Very high93.7Very high14 Ų1480.9 Ų80.97%0.07238%0.383CS..Hα-helixtrans-61.1-43.6177.2-61.6164.5000111.7L12 Y13 R14 Q18 I19 A20 I40 A44 F48 I71L12-I16 HydrophobicContact CD2-CD1 4.01Å; L12-I16 HydrophobicContact CD2-CG1 4.35Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 3.35Å; L12-I16 VanDerWaalsContact O-N 3.14Å; Y13-I16 WeakPolarHBondContact O-CB 3.16Å; Y13-I16 PolarHBondContact O-N 3.23Å; R14-I16 VanDerWaalsContact C-N 3.25Å; R14-I16 PolarHBondContact O-N 3.07Å; I16-Q18 VanDerWaalsContact C-N 3.31Å; I16-Q18 PolarHBondContact O-N 3.41Å; I16-I19 WeakPolarHBondContact O-CB 3.36Å; I16-I19 PolarHBondContact O-N 3.27Å; I16-A20 PolarHBondContact O-N 3.25Å; I16-I40 HydrophobicContact CG2-CG2 3.54Å; I16-A44 HydrophobicContact CD1-CB 4.14Å; I16-A44 HydrophobicContact CG2-CB 3.75Å; I16-F48 HydrophobicContact CD1-CE2 3.66Å; I16-F48 HydrophobicContact CD1-CZ 4.07Å; I16-I71 HydrophobicContact CG1-CD1 3.85Å; I16-I71 HydrophobicContact CG1-CG1 4.39Å
17F95.5Very high93.6Very high64 Ų6476.8 Ų76.828%0.28138%0.377SS..Hα-helixtrans-66.4-33.6176.5-71.4-91.1000112.7Y13 R14 K15 A20 K21 I41 K45Y13-F17 HydrophobicContact CD1-CD2 4.36Å; Y13-F17 AromaticContact CD1-CE2 3.84Å; Y13-F17 HydrophobicContact CD1-CE2 3.84Å; Y13-F17 HydrophobicContact CD2-CE2 4.01Å; Y13-F17 HydrophobicContact CE1-CD2 4.25Å; Y13-F17 AromaticContact CE1-CE2 3.4Å; Y13-F17 HydrophobicContact CE1-CE2 3.4Å; Y13-F17 VanDerWaalsContact CE1-CE2 3.4Å; Y13-F17 HydrophobicContact CE1-CZ 4.01Å; Y13-F17 AromaticContact CE2-CE2 3.61Å; Y13-F17 HydrophobicContact CE2-CE2 3.61Å; Y13-F17 HydrophobicContact CE2-CZ 4.13Å; Y13-F17 HydrophobicContact CG-CE2 4.13Å; Y13-F17 AromaticContact CZ-CE2 3.28Å; Y13-F17 AromaticContact CZ-CZ 3.62Å; Y13-F17 WeakPolarHBondContact O-CD2 3.44Å; Y13-F17 WeakPolarHBondContact OH-CZ 3.49Å; R14-F17 PolarHBondContact O-N 3.22Å; R14-F17 VanDerWaalsContact O-N 3.17Å; K15-F17 PolarHBondContact O-N 2.9Å; F17-A20 PolarHBondContact O-N 3.4Å; F17-K21 WeakPolarHBondContact O-CB 3.33Å; F17-K21 PolarHBondContact O-N 3.45Å; F17-I41 HydrophobicContact CD1-CG1 4.21Å; F17-I41 HydrophobicContact CE1-CB 4.48Å; F17-I41 HydrophobicContact CE1-CG1 4.21Å; F17-I41 HydrophobicContact CE1-CG2 3.82Å; F17-I41 HydrophobicContact CZ-CG2 4.5Å; F17-K45 HydrophobicContact CZ-CG 4.29Å
18Q96.4Very high93.4Very high125 Ų12573.1 Ų73.158%0.58438%0.378SS*.Hα-helixtrans-66.5-40.3173.8-67.6176.4-100111.5R14 K15 I16 K21 K22R14-Q18 PolarHBondContact O-N 3.26Å; R14-Q18 VanDerWaalsContact O-N 3.1Å; K15-Q18 WeakPolarHBondContact O-CB 3.45Å; K15-Q18 PolarHBondContact O-N 3.3Å; I16-Q18 VanDerWaalsContact C-N 3.31Å; I16-Q18 PolarHBondContact O-N 3.41Å; Q18-K21 PolarHBondContact O-N 3.1Å; Q18-K22 PolarHBondContact O-N 3.1Å; Q18-K22 VanDerWaalsContact O-N 3.16Å
19I95.4Very high93.4Very high28 Ų2873.2 Ų73.214%0.14438%0.378CS..Hα-helixtrans-61.2-52.7173.2-68.9164.1000109.5K15 I16 K21 K22 W23 I71 L75K15-I19 HydrophobicContact CG-CD1 4.13Å; K15-I19 WeakPolarHBondContact O-CG1 3.36Å; K15-I19 PolarHBondContact O-N 2.96Å; I16-I19 WeakPolarHBondContact O-CB 3.36Å; I16-I19 PolarHBondContact O-N 3.27Å; I19-K21 VanDerWaalsContact C-N 3.25Å; I19-K21 PolarHBondContact O-N 2.61Å; I19-K22 CarbonylContact O-C 3.59Å; I19-K22 PolarHBondContact O-N 2.69Å; I19-W23 HydrophobicContact CG2-CE3 3.78Å; I19-W23 HydrophobicContact CG2-CZ3 4.19Å; I19-W23 WeakPolarHBondContact O-CB 3.4Å; I19-W23 PolarHBondContact O-N 2.76Å; I19-I71 HydrophobicContact CD1-CD1 4.36Å; I19-I71 HydrophobicContact CD1-CG1 4.25Å; I19-I71 HydrophobicContact CD1-CG2 3.54Å; I19-L75 HydrophobicContact CD1-CD1 4.38Å; I19-L75 HydrophobicContact CG2-CD2 4.14Å
20A95.2Very high93.4Very high2 Ų278.6 Ų78.62%0.01740%0.403CS..Hα-helixtrans-54.8-41177.400000112I16 F17 K22 W23 K37 I40 I41I16-A20 PolarHBondContact O-N 3.25Å; F17-A20 PolarHBondContact O-N 3.4Å; A20-K22 VanDerWaalsContact C-N 3.35Å; A20-K22 PolarHBondContact O-N 3.31Å; A20-W23 WeakPolarHBondContact O-CB 3.45Å; A20-W23 PolarHBondContact O-N 3.24Å; A20-K37 WeakPolarHBondContact O-CD 3.5Å; A20-K37 VanDerWaalsContact O-CE 3.23Å; A20-K37 WeakPolarHBondContact O-CE 3.43Å; A20-K37 VanDerWaalsContact O-CG 3.24Å; A20-K37 WeakPolarHBondContact O-CG 3.42Å; A20-I40 HydrophobicContact CB-CB 4.2Å; A20-I40 HydrophobicContact CB-CG2 3.86Å; A20-I41 HydrophobicContact CB-CD1 4.17Å; A20-I41 HydrophobicContact CB-CG1 3.81Å
21K94.5Very high93.4Very high177 Ų17782.2 Ų82.277%0.7742%0.418SS*.Hα-helixtrans-61.4-42.2177.4-172.4176.1-179.3178.80112.5F17 Q18 I19 K37F17-K21 WeakPolarHBondContact O-CB 3.33Å; F17-K21 PolarHBondContact O-N 3.45Å; Q18-K21 PolarHBondContact O-N 3.1Å; I19-K21 VanDerWaalsContact C-N 3.25Å; I19-K21 PolarHBondContact O-N 2.61Å; K21-K37 PolarHBondContact O-NZ 3.07Å
22K94.4Very high93.2Very high176 Ų17683.9 Ų83.977%0.76542%0.416SS*.Hα-helixtrans-86.5-6.9-178.7-66.5-177.3178.3-176.30113.8Q18 I19 A20Q18-K22 PolarHBondContact O-N 3.1Å; Q18-K22 VanDerWaalsContact O-N 3.16Å; I19-K22 CarbonylContact O-C 3.59Å; I19-K22 PolarHBondContact O-N 2.69Å; A20-K22 VanDerWaalsContact C-N 3.35Å; A20-K22 PolarHBondContact O-N 3.31Å
23W94.4Very high93.2Very high12 Ų1283.9 Ų83.95%0.04542%0.416CS..  trans-62141.9-175.1-166.9-93.1000111.8I19 A20 E36 K37 I40 G74 L75 P80I19-W23 HydrophobicContact CG2-CE3 3.78Å; I19-W23 HydrophobicContact CG2-CZ3 4.19Å; I19-W23 WeakPolarHBondContact O-CB 3.4Å; I19-W23 PolarHBondContact O-N 2.76Å; A20-W23 WeakPolarHBondContact O-CB 3.45Å; A20-W23 PolarHBondContact O-N 3.24Å; W23-E36 PolarHBondContact NE1-OE2 3.26Å; W23-K37 HydrophobicContact CB-CG 4.01Å; W23-K37 WeakPolarHBondContact O-CE 3.47Å; W23-K37 PolarHBondContact O-NZ 2.74Å; W23-K37 VanDerWaalsContact O-NZ 3.08Å; W23-I40 HydrophobicContact CB-CD1 4.2Å; W23-I40 HydrophobicContact CD2-CD1 3.57Å; W23-I40 HydrophobicContact CE3-CD1 3.78Å; W23-I40 HydrophobicContact CG-CD1 3.74Å; W23-I40 HydrophobicContact CZ3-CD1 4.42Å; W23-G74 WeakPolarHBondContact CH2-O 3.43Å; W23-L75 HydrophobicContact CZ3-CD2 4.11Å; W23-P80 HydrophobicContact CH2-CB 4.32Å; W23-P80 HydrophobicContact CZ2-CB 3.88Å; W23-P80 HydrophobicContact CZ2-CG 4.07Å
24Q93.3Very high93.1Very high144 Ų14484.7 Ų84.767%0.67342%0.424SS*.  trans-141.3127.6175-70.2-176.2-36.800107.7N78Q24-N78 PolarHBondContact O-ND2 3.1Å
25S90.6Very high93.1Very high9 Ų982.3 Ų82.36%0.06342%0.419CS..  trans-64.4144.7-179.8-174.90000110.6S27 G28 T33 E36S25-S27 PolarHBondContact O-N 2.95Å; S25-S27 PolarHBondContact OG-N 2.91Å; S25-S27 PolarHBondContact OG-OG 3.4Å; S25-G28 PolarHBondContact O-N 3.07Å; S25-T33 WeakPolarHBondContact CB-OG1 3.38Å; S25-T33 PolarHBondContact N-OG1 3.32Å; S25-E36 WeakPolarHBondContact CA-OE2 3.45Å; S25-E36 WeakPolarHBondContact CB-OE2 3.47Å; S25-E36 PolarHBondContact OG-OE1 3.09Å; S25-E36 PolarHBondContact OG-OE2 3.15Å
26A88.9Confident93Very high78 Ų7878.2 Ų78.265%0.64540%0.401SS*.THydrogen-bonded Turntrans-60.1-25.4176.100000112.7G28A26-G28 VanDerWaalsContact C-N 3.28Å; A26-G28 PolarHBondContact O-N 3.19Å
27S86.8Confident93Very high59 Ų5980.4 Ų80.441%0.41341%0.41SS..THydrogen-bonded Turntrans-74.3-16.1176.566.90000114.1S25 Q29 E32S25-S27 PolarHBondContact O-N 2.95Å; S25-S27 PolarHBondContact OG-N 2.91Å; S25-S27 PolarHBondContact OG-OG 3.4Å; S27-Q29 PolarHBondContact O-N 3.47Å; S27-Q29 PolarHBondContact OG-N 3.43Å; S27-Q29 VanDerWaalsContact OG-N 3.14Å; S27-E32 WeakPolarHBondContact CB-OE2 3.41Å; S27-E32 PolarHBondContact OG-OE2 3.24Å
28G86.5Confident93Very high67 Ų6783.2 Ų83.269%0.69142%0.424SS*.  trans70.41-171.300000114.4S25 A26S25-G28 PolarHBondContact O-N 3.07Å; A26-G28 VanDerWaalsContact C-N 3.28Å; A26-G28 PolarHBondContact O-N 3.19Å
29Q91.9Very high92.9Very high104 Ų10479.7 Ų79.749%0.48641%0.406SS..  trans-76.8134.4178.8-63.6-172.7-2.900111S27 E32 T33S27-Q29 PolarHBondContact O-N 3.47Å; S27-Q29 PolarHBondContact OG-N 3.43Å; S27-Q29 VanDerWaalsContact OG-N 3.14Å; Q29-E32 HydrophobicContact CB-CB 4.23Å; Q29-E32 HydrophobicContact CB-CG 4.14Å; Q29-T33 WeakPolarHBondContact O-CB 3.3Å; Q29-T33 PolarHBondContact O-N 2.99Å; Q29-T33 PolarHBondContact O-OG1 3.14Å
30M91.8Very high92.9Very high142 Ų14279.2 Ų79.270%0.740%0.403SS*.Hα-helixtrans-65.7-41.3-179.7-170.367.875.400111.5T33 I34M30-T33 PolarHBondContact O-N 3.49Å; M30-I34 HydrophobicContact CG-CD1 4.05Å; M30-I34 VanDerWaalsContact O-CG1 3.28Å; M30-I34 WeakPolarHBondContact O-CG1 3.33Å; M30-I34 PolarHBondContact O-N 3.17Å
31E93.4Very high92.9Very high135 Ų13581.5 Ų81.563%0.63142%0.415SS*.Hα-helixtrans-62.4-44.9179.8-65.9-177.5-17100112.2I34 K35E31-I34 PolarHBondContact O-N 3.06Å; E31-K35 WeakPolarHBondContact O-CG 3.33Å; E31-K35 PolarHBondContact O-N 3.39Å
32E91.5Very high92.9Very high74 Ų7475.9 Ų75.935%0.34640%0.398SS..Hα-helixtrans-65.6-43.1176.4-65.5-171167.100111S27 Q29 I34 K35 E36S27-E32 WeakPolarHBondContact CB-OE2 3.41Å; S27-E32 PolarHBondContact OG-OE2 3.24Å; Q29-E32 HydrophobicContact CB-CB 4.23Å; Q29-E32 HydrophobicContact CB-CG 4.14Å; E32-I34 VanDerWaalsContact C-N 3.27Å; E32-I34 PolarHBondContact O-N 3.37Å; E32-K35 PolarHBondContact O-N 3.03Å; E32-E36 WeakPolarHBondContact O-CB 3.3Å; E32-E36 VanDerWaalsContact O-CG 3.24Å; E32-E36 WeakPolarHBondContact O-CG 3.33Å; E32-E36 PolarHBondContact O-N 3.31Å
33T93.1Very high92.8Very high12 Ų1269 Ų697%0.07437%0.369CS..Hα-helixtrans-56.9-40.8174.8-61.40000111.9S25 Q29 M30 K37S25-T33 WeakPolarHBondContact CB-OG1 3.38Å; S25-T33 PolarHBondContact N-OG1 3.32Å; Q29-T33 WeakPolarHBondContact O-CB 3.3Å; Q29-T33 PolarHBondContact O-N 2.99Å; Q29-T33 PolarHBondContact O-OG1 3.14Å; M30-T33 PolarHBondContact O-N 3.49Å; T33-K37 HydrophobicContact CG2-CD 4.21Å; T33-K37 WeakPolarHBondContact O-CB 3.48Å; T33-K37 WeakPolarHBondContact O-CG 3.46Å; T33-K37 PolarHBondContact O-N 3.49Å; T33-K37 VanDerWaalsContact O-N 3.07Å
34I94.4Very high92.8Very high81 Ų8168.8 Ų68.842%0.41537%0.369SS..Hα-helixtrans-65.6-49.4176.9-68163.1000110.6M30 E31 E32 E36 K37 E38M30-I34 HydrophobicContact CG-CD1 4.05Å; M30-I34 VanDerWaalsContact O-CG1 3.28Å; M30-I34 WeakPolarHBondContact O-CG1 3.33Å; M30-I34 PolarHBondContact O-N 3.17Å; E31-I34 PolarHBondContact O-N 3.06Å; E32-I34 VanDerWaalsContact C-N 3.27Å; E32-I34 PolarHBondContact O-N 3.37Å; I34-E36 VanDerWaalsContact C-N 3.33Å; I34-E36 PolarHBondContact O-N 3.22Å; I34-K37 WeakPolarHBondContact O-CB 3.27Å; I34-K37 PolarHBondContact O-N 3.48Å; I34-E38 WeakPolarHBondContact O-CG 3.08Å; I34-E38 PolarHBondContact O-N 2.92Å
35K94.6Very high92.9Very high122 Ų12266 Ų6653%0.5336%0.355SS..Hα-helixtrans-59.1-43.3179-72174.3-176170.20112.3E31 E32 E38 Y39E31-K35 WeakPolarHBondContact O-CG 3.33Å; E31-K35 PolarHBondContact O-N 3.39Å; E32-K35 PolarHBondContact O-N 3.03Å; K35-E38 PolarHBondContact O-N 3.28Å; K35-Y39 WeakPolarHBondContact O-CB 3.27Å; K35-Y39 PolarHBondContact O-N 2.76Å
36E94.5Very high93Very high18 Ų1869.5 Ų69.58%0.08438%0.376CS..Hα-helixtrans-64.8-42178.3-74.6-179.5-179.900111.9W23 S25 E32 I34 Y39 I40 P80 Y81W23-E36 PolarHBondContact NE1-OE2 3.26Å; S25-E36 WeakPolarHBondContact CA-OE2 3.45Å; S25-E36 WeakPolarHBondContact CB-OE2 3.47Å; S25-E36 PolarHBondContact OG-OE1 3.09Å; S25-E36 PolarHBondContact OG-OE2 3.15Å; E32-E36 WeakPolarHBondContact O-CB 3.3Å; E32-E36 VanDerWaalsContact O-CG 3.24Å; E32-E36 WeakPolarHBondContact O-CG 3.33Å; E32-E36 PolarHBondContact O-N 3.31Å; I34-E36 VanDerWaalsContact C-N 3.33Å; I34-E36 PolarHBondContact O-N 3.22Å; E36-Y39 WeakPolarHBondContact O-CB 3.38Å; E36-Y39 PolarHBondContact O-N 2.67Å; E36-I40 VanDerWaalsContact O-CG1 3.31Å; E36-I40 WeakPolarHBondContact O-CG1 3.44Å; E36-I40 PolarHBondContact O-N 2.74Å; E36-P80 HydrophobicContact CB-CG 3.79Å; E36-P80 HydrophobicContact CG-CG 3.6Å; E36-Y81 HydrophobicContact CG-CE2 4.16Å
37K95.5Very high93.2Very high60 Ų6066.7 Ų66.726%0.26135%0.35SS..Hα-helixtrans-61.3-45.9174.1-75.1179.4-179.5-179.20112.2A20 K21 W23 T33 I34 Y39 I40 I41A20-K37 WeakPolarHBondContact O-CD 3.5Å; A20-K37 VanDerWaalsContact O-CE 3.23Å; A20-K37 WeakPolarHBondContact O-CE 3.43Å; A20-K37 VanDerWaalsContact O-CG 3.24Å; A20-K37 WeakPolarHBondContact O-CG 3.42Å; K21-K37 PolarHBondContact O-NZ 3.07Å; W23-K37 HydrophobicContact CB-CG 4.01Å; W23-K37 WeakPolarHBondContact O-CE 3.47Å; W23-K37 PolarHBondContact O-NZ 2.74Å; W23-K37 VanDerWaalsContact O-NZ 3.08Å; T33-K37 HydrophobicContact CG2-CD 4.21Å; T33-K37 WeakPolarHBondContact O-CB 3.48Å; T33-K37 WeakPolarHBondContact O-CG 3.46Å; T33-K37 PolarHBondContact O-N 3.49Å; T33-K37 VanDerWaalsContact O-N 3.07Å; I34-K37 WeakPolarHBondContact O-CB 3.27Å; I34-K37 PolarHBondContact O-N 3.48Å; K37-Y39 VanDerWaalsContact C-N 3.28Å; K37-Y39 PolarHBondContact O-N 3.01Å; K37-I40 PolarHBondContact O-N 2.76Å; K37-I41 VanDerWaalsContact O-CG1 3.32Å; K37-I41 WeakPolarHBondContact O-CG1 3.12Å; K37-I41 PolarHBondContact O-N 3.02Å; K37-I41 VanDerWaalsContact O-N 3.1Å
38E95.8Very high93.5Very high123 Ų12366.3 Ų66.358%0.57534%0.341SS*.Hα-helixtrans-62.1-39.2176.5-72.9178.3172.200111.3I34 K35 I41 S42I34-E38 WeakPolarHBondContact O-CG 3.08Å; I34-E38 PolarHBondContact O-N 2.92Å; K35-E38 PolarHBondContact O-N 3.28Å; E38-I41 PolarHBondContact O-N 3.37Å; E38-S42 VanDerWaalsContact O-CB 3.26Å; E38-S42 WeakPolarHBondContact O-CB 3.41Å; E38-S42 PolarHBondContact O-N 3.22Å; E38-S42 PolarHBondContact O-OG 3.31Å
39Y94.5Very high93.8Very high51 Ų5172 Ų7220%0.234%0.341CS..Hα-helixtrans-60.6-53.7174.9-178.7-95.3000111.5K35 E36 K37 I41 S42 E43 P80 Y81 P82 H118K35-Y39 WeakPolarHBondContact O-CB 3.27Å; K35-Y39 PolarHBondContact O-N 2.76Å; E36-Y39 WeakPolarHBondContact O-CB 3.38Å; E36-Y39 PolarHBondContact O-N 2.67Å; K37-Y39 VanDerWaalsContact C-N 3.28Å; K37-Y39 PolarHBondContact O-N 3.01Å; Y39-I41 VanDerWaalsContact C-N 3.25Å; Y39-I41 PolarHBondContact O-N 3.16Å; Y39-S42 PolarHBondContact O-N 3.14Å; Y39-S42 PolarHBondContact O-OG 3.13Å; Y39-E43 HydrophobicContact CE1-CB 4.41Å; Y39-E43 WeakPolarHBondContact O-CB 3.33Å; Y39-E43 PolarHBondContact O-N 3.23Å; Y39-P80 HydrophobicContact CD1-CB 4.34Å; Y39-P80 WeakPolarHBondContact CE1-O 3.46Å; Y39-Y81 AromaticContact CD1-CD1 3.68Å; Y39-Y81 HydrophobicContact CD1-CD1 3.68Å; Y39-Y81 AromaticContact CD1-CE1 3.73Å; Y39-Y81 HydrophobicContact CD1-CE1 3.73Å; Y39-Y81 AromaticContact CD2-CD1 3.95Å; Y39-Y81 HydrophobicContact CD2-CD1 3.95Å; Y39-Y81 AromaticContact CD2-CE1 3.63Å; Y39-Y81 HydrophobicContact CD2-CE1 3.63Å; Y39-Y81 AromaticContact CE1-CD1 3.6Å; Y39-Y81 HydrophobicContact CE1-CD1 3.6Å; Y39-Y81 HydrophobicContact CE1-CE1 4.12Å; Y39-Y81 HydrophobicContact CE1-CG 4.48Å; Y39-Y81 AromaticContact CE2-CD1 3.85Å; Y39-Y81 HydrophobicContact CE2-CD1 3.85Å; Y39-Y81 HydrophobicContact CE2-CE1 4.01Å; Y39-Y81 AromaticContact CG-CD1 3.86Å; Y39-Y81 HydrophobicContact CG-CD1 3.86Å; Y39-Y81 AromaticContact CG-CE1 3.47Å; Y39-Y81 HydrophobicContact CG-CE1 3.47Å; Y39-Y81 VanDerWaalsContact CG-CE1 3.47Å; Y39-Y81 AromaticContact CZ-CD1 3.68Å; Y39-P82 VanDerWaalsContact OH-CD 3.25Å; Y39-P82 WeakPolarHBondContact OH-CD 3.45Å; Y39-H118 PolarHBondContact OH-CE1 3.47Å
40I94.6Very high93.7Very high17 Ų1771.5 Ų71.59%0.08734%0.338CS..Hα-helixtrans-54.3-45.1179.1-65.1163.3000110.7I16 A20 W23 E36 K37 A44 P80I16-I40 HydrophobicContact CG2-CG2 3.54Å; A20-I40 HydrophobicContact CB-CB 4.2Å; A20-I40 HydrophobicContact CB-CG2 3.86Å; W23-I40 HydrophobicContact CB-CD1 4.2Å; W23-I40 HydrophobicContact CD2-CD1 3.57Å; W23-I40 HydrophobicContact CE3-CD1 3.78Å; W23-I40 HydrophobicContact CG-CD1 3.74Å; W23-I40 HydrophobicContact CZ3-CD1 4.42Å; E36-I40 VanDerWaalsContact O-CG1 3.31Å; E36-I40 WeakPolarHBondContact O-CG1 3.44Å; E36-I40 PolarHBondContact O-N 2.74Å; K37-I40 PolarHBondContact O-N 2.76Å; I40-A44 VanDerWaalsContact O-CB 3.23Å; I40-A44 WeakPolarHBondContact O-CB 3.29Å; I40-A44 PolarHBondContact O-N 3.03Å; I40-A44 VanDerWaalsContact O-N 3.1Å; I40-P80 HydrophobicContact CD1-CB 3.9Å; I40-P80 HydrophobicContact CG1-CB 3.64Å
41I95.5Very high93.7Very high51 Ų5167.1 Ų67.126%0.26232%0.317SS..Hα-helixtrans-68.1-45-178.4-69.4168.6000111.8F17 A20 K37 E38 Y39 K45F17-I41 HydrophobicContact CD1-CG1 4.21Å; F17-I41 HydrophobicContact CE1-CB 4.48Å; F17-I41 HydrophobicContact CE1-CG1 4.21Å; F17-I41 HydrophobicContact CE1-CG2 3.82Å; F17-I41 HydrophobicContact CZ-CG2 4.5Å; A20-I41 HydrophobicContact CB-CD1 4.17Å; A20-I41 HydrophobicContact CB-CG1 3.81Å; K37-I41 VanDerWaalsContact O-CG1 3.32Å; K37-I41 WeakPolarHBondContact O-CG1 3.12Å; K37-I41 PolarHBondContact O-N 3.02Å; K37-I41 VanDerWaalsContact O-N 3.1Å; E38-I41 PolarHBondContact O-N 3.37Å; Y39-I41 VanDerWaalsContact C-N 3.25Å; Y39-I41 PolarHBondContact O-N 3.16Å; I41-K45 HydrophobicContact CG2-CD 4.06Å; I41-K45 WeakPolarHBondContact O-CB 3.46Å; I41-K45 VanDerWaalsContact O-CG 3.29Å; I41-K45 WeakPolarHBondContact O-CG 3.21Å; I41-K45 PolarHBondContact O-N 2.97Å
42S94.8Very high93.5Very high58 Ų5870.2 Ų70.241%0.40632%0.323SS..Hα-helixtrans-70.5-40.8-176.960.50000111.8E38 Y39 K45 T46E38-S42 VanDerWaalsContact O-CB 3.26Å; E38-S42 WeakPolarHBondContact O-CB 3.41Å; E38-S42 PolarHBondContact O-N 3.22Å; E38-S42 PolarHBondContact O-OG 3.31Å; Y39-S42 PolarHBondContact O-N 3.14Å; Y39-S42 PolarHBondContact O-OG 3.13Å; S42-K45 PolarHBondContact O-N 2.79Å; S42-T46 WeakPolarHBondContact O-CB 3.25Å; S42-T46 PolarHBondContact O-N 2.97Å; S42-T46 PolarHBondContact O-OG1 3.23Å
43E93.4Very high93.4Very high33 Ų3372.6 Ų72.615%0.15434%0.338CS..Hα-helixtrans-63.6-49.1175.7-166.2-170.4-165.800110.4Y39 K45 T46 L47 R70 H118Y39-E43 HydrophobicContact CE1-CB 4.41Å; Y39-E43 WeakPolarHBondContact O-CB 3.33Å; Y39-E43 PolarHBondContact O-N 3.23Å; E43-K45 VanDerWaalsContact C-N 3.35Å; E43-K45 PolarHBondContact O-N 3.47Å; E43-T46 PolarHBondContact O-N 3.02Å; E43-T46 VanDerWaalsContact O-N 3.11Å; E43-L47 HydrophobicContact CG-CD1 3.84Å; E43-L47 HydrophobicContact CG-CG 4.22Å; E43-L47 WeakPolarHBondContact O-CG 3.37Å; E43-L47 PolarHBondContact O-N 3.25Å; E43-R70 IonicContact OE1-NH1 3.14Å; E43-R70 PolarHBondContact OE1-NH1 3.42Å; E43-H118 IonicContact OE1-CE1 3.64Å; E43-H118 PolarHBondContact OE1-CE1 3.38Å; E43-H118 IonicContact OE1-ND1 2.67Å; E43-H118 PolarHBondContact OE1-ND1 3.41Å
44A93.9Very high93.2Very high7 Ų773.9 Ų73.96%0.05835%0.346CS..Hα-helixtrans-58.4-45.5178.300000112.1I16 I40 T46 F48I16-A44 HydrophobicContact CD1-CB 4.14Å; I16-A44 HydrophobicContact CG2-CB 3.75Å; I40-A44 VanDerWaalsContact O-CB 3.23Å; I40-A44 WeakPolarHBondContact O-CB 3.29Å; I40-A44 PolarHBondContact O-N 3.03Å; I40-A44 VanDerWaalsContact O-N 3.1Å; A44-T46 VanDerWaalsContact C-N 3.33Å; A44-T46 PolarHBondContact O-N 3.47Å; A44-F48 WeakPolarHBondContact O-CB 3.17Å; A44-F48 WeakPolarHBondContact O-CD2 3.46Å; A44-F48 PolarHBondContact O-N 3.34Å
45K94.6Very high92.9Very high86 Ų8675.2 Ų75.237%0.37436%0.358SS..Hα-helixtrans-59.3-45.2175.3-77.6173178.7175.60111.6F17 I41 S42 E43 R49F17-K45 HydrophobicContact CZ-CG 4.29Å; I41-K45 HydrophobicContact CG2-CD 4.06Å; I41-K45 WeakPolarHBondContact O-CB 3.46Å; I41-K45 VanDerWaalsContact O-CG 3.29Å; I41-K45 WeakPolarHBondContact O-CG 3.21Å; I41-K45 PolarHBondContact O-N 2.97Å; S42-K45 PolarHBondContact O-N 2.79Å; E43-K45 VanDerWaalsContact C-N 3.35Å; E43-K45 PolarHBondContact O-N 3.47Å; K45-R49 VanDerWaalsContact O-CB 3.25Å; K45-R49 WeakPolarHBondContact O-CB 3.43Å; K45-R49 WeakPolarHBondContact O-CD 3.48Å; K45-R49 WeakPolarHBondContact O-CG 3.22Å; K45-R49 PolarHBondContact O-N 3.26Å; K45-R49 VanDerWaalsContact O-N 3.08Å
46T93.9Very high92.7Very high81 Ų8172.5 Ų72.550%0.49735%0.349SS..Hα-helixtrans-64.1-50.4-177.9-60.40000111.2S42 E43 A44 R49 K50S42-T46 WeakPolarHBondContact O-CB 3.25Å; S42-T46 PolarHBondContact O-N 2.97Å; S42-T46 PolarHBondContact O-OG1 3.23Å; E43-T46 PolarHBondContact O-N 3.02Å; E43-T46 VanDerWaalsContact O-N 3.11Å; A44-T46 VanDerWaalsContact C-N 3.33Å; A44-T46 PolarHBondContact O-N 3.47Å; T46-R49 PolarHBondContact O-N 2.92Å; T46-K50 WeakPolarHBondContact O-CB 3.33Å; T46-K50 PolarHBondContact O-N 3.45Å
47L92.3Very high92.5Very high19 Ų1975.6 Ų75.610%0.09937%0.371CS..Hα-helixtrans-68-42.8-177.3-68.3-180000112.8E43 R49 K50 N51 R70 I121E43-L47 HydrophobicContact CG-CD1 3.84Å; E43-L47 HydrophobicContact CG-CG 4.22Å; E43-L47 WeakPolarHBondContact O-CG 3.37Å; E43-L47 PolarHBondContact O-N 3.25Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 PolarHBondContact O-N 3.47Å; L47-K50 WeakPolarHBondContact O-CB 3.48Å; L47-K50 PolarHBondContact O-N 3.1Å; L47-N51 PolarHBondContact O-N 3.3Å; L47-R70 VanDerWaalsContact CD1-NH1 3.31Å; L47-I121 HydrophobicContact CD2-CD1 4.01Å
48F93.1Very high92.2Very high51 Ų5180.3 Ų80.322%0.22439%0.391CS..Hα-helixtrans-66-36.5176.9-83.3-107.9000111.9V9 L12 Y13 I16 A44 N51 R52V9-F48 HydrophobicContact CG1-CD1 4.2Å; V9-F48 HydrophobicContact CG1-CE1 3.83Å; L12-F48 HydrophobicContact CD2-CZ 4.29Å; Y13-F48 HydrophobicContact CD2-CB 4.12Å; Y13-F48 AromaticContact CD2-CD1 3.5Å; Y13-F48 HydrophobicContact CD2-CD1 3.5Å; Y13-F48 VanDerWaalsContact CD2-CD1 3.5Å; Y13-F48 AromaticContact CD2-CD2 3.69Å; Y13-F48 HydrophobicContact CD2-CD2 3.69Å; Y13-F48 AromaticContact CD2-CE1 3.71Å; Y13-F48 HydrophobicContact CD2-CE1 3.71Å; Y13-F48 AromaticContact CD2-CE2 3.87Å; Y13-F48 HydrophobicContact CD2-CE2 3.87Å; Y13-F48 AromaticContact CD2-CG 3.48Å; Y13-F48 HydrophobicContact CD2-CG 3.48Å; Y13-F48 VanDerWaalsContact CD2-CG 3.48Å; Y13-F48 AromaticContact CD2-CZ 3.87Å; Y13-F48 HydrophobicContact CD2-CZ 3.87Å; Y13-F48 HydrophobicContact CE2-CB 4.01Å; Y13-F48 HydrophobicContact CE2-CD1 4.24Å; Y13-F48 HydrophobicContact CE2-CD2 4.12Å; Y13-F48 AromaticContact CE2-CG 3.86Å; Y13-F48 HydrophobicContact CE2-CG 3.86Å; Y13-F48 HydrophobicContact CG-CD1 4.07Å; Y13-F48 HydrophobicContact CG-CE1 4.04Å; Y13-F48 HydrophobicContact CG-CG 4.47Å; Y13-F48 HydrophobicContact CG-CZ 4.4Å; I16-F48 HydrophobicContact CD1-CE2 3.66Å; I16-F48 HydrophobicContact CD1-CZ 4.07Å; A44-F48 WeakPolarHBondContact O-CB 3.17Å; A44-F48 WeakPolarHBondContact O-CD2 3.46Å; A44-F48 PolarHBondContact O-N 3.34Å; F48-N51 PolarHBondContact O-N 3.42Å; F48-R52 PolarHBondContact O-N 2.91Å
49R92.6Very high91.9Very high186 Ų18678.2 Ų78.270%0.70238%0.384SS*.Hα-helixtrans-66.7-40173.6-77.1174.3176.8-172.2-1.3112K45 T46 L47 N51 R52K45-R49 VanDerWaalsContact O-CB 3.25Å; K45-R49 WeakPolarHBondContact O-CB 3.43Å; K45-R49 WeakPolarHBondContact O-CD 3.48Å; K45-R49 WeakPolarHBondContact O-CG 3.22Å; K45-R49 PolarHBondContact O-N 3.26Å; K45-R49 VanDerWaalsContact O-N 3.08Å; T46-R49 PolarHBondContact O-N 2.92Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 PolarHBondContact O-N 3.47Å; R49-N51 VanDerWaalsContact C-N 3.31Å; R49-N51 PolarHBondContact O-N 3.36Å; R49-R52 VanDerWaalsContact O-CB 3.27Å; R49-R52 WeakPolarHBondContact O-CB 3.35Å; R49-R52 WeakPolarHBondContact O-CD 3.43Å; R49-R52 WeakPolarHBondContact O-CG 3.35Å; R49-R52 PolarHBondContact O-N 3.47Å
50K90.8Very high91.7Very high95 Ų9576.4 Ų76.441%0.41338%0.377SS..Hα-helixtrans-61.2-41.6176.6-175-179.8170.5-173.60111.5T46 L47 R52 D120T46-K50 WeakPolarHBondContact O-CB 3.33Å; T46-K50 PolarHBondContact O-N 3.45Å; L47-K50 WeakPolarHBondContact O-CB 3.48Å; L47-K50 PolarHBondContact O-N 3.1Å; K50-R52 VanDerWaalsContact C-N 3.27Å; K50-R52 PolarHBondContact O-N 3.29Å; K50-D120 VanDerWaalsContact NZ-CG 3.27Å; K50-D120 IonicContact NZ-OD2 3.13Å; K50-D120 PolarHBondContact NZ-OD2 3.32Å
51N90.6Very high91.6Very high50 Ų5081.9 Ų81.927%0.26740%0.4SS..G310 helixtrans-84.46.8-178.4-64.4-19.5000114.1L47 F48 R49 N53 V54L47-N51 PolarHBondContact O-N 3.3Å; F48-N51 PolarHBondContact O-N 3.42Å; R49-N51 VanDerWaalsContact C-N 3.31Å; R49-N51 PolarHBondContact O-N 3.36Å; N51-N53 PolarHBondContact O-N 3.01Å; N51-N53 VanDerWaalsContact O-N 3.1Å; N51-V54 HydrophobicContact CB-CG2 4.11Å; N51-V54 WeakPolarHBondContact O-CB 3.14Å; N51-V54 WeakPolarHBondContact O-CG2 3.25Å; N51-V54 PolarHBondContact O-N 3.48Å; N51-V54 VanDerWaalsContact O-N 3.09Å
52R89.4Confident91.3Very high199 Ų19983.4 Ų83.475%0.75141%0.406SS*.G310 helixtrans-58.8-27.3-174.471.6178.9-73.4-171.4-1115F48 R49 K50F48-R52 PolarHBondContact O-N 2.91Å; R49-R52 VanDerWaalsContact O-CB 3.27Å; R49-R52 WeakPolarHBondContact O-CB 3.35Å; R49-R52 WeakPolarHBondContact O-CD 3.43Å; R49-R52 WeakPolarHBondContact O-CG 3.35Å; R49-R52 PolarHBondContact O-N 3.47Å; K50-R52 VanDerWaalsContact C-N 3.27Å; K50-R52 PolarHBondContact O-N 3.29Å
53N89.1Confident91.2Very high124 Ų12482.4 Ų82.466%0.66340%0.399SS*.G310 helixtrans-99.13.1-175.9-65.4-26.2000112.4N51 T55N51-N53 PolarHBondContact O-N 3.01Å; N51-N53 VanDerWaalsContact O-N 3.1Å; N53-T55 PolarHBondContact O-N 3.04Å
54V89.3Confident91.1Very high39 Ų3982 Ų8224%0.23640%0.398CS..  trans-72.3116.1177.5-178.20000108.7N51 L59 I60N51-V54 HydrophobicContact CB-CG2 4.11Å; N51-V54 WeakPolarHBondContact O-CB 3.14Å; N51-V54 WeakPolarHBondContact O-CG2 3.25Å; N51-V54 PolarHBondContact O-N 3.48Å; N51-V54 VanDerWaalsContact O-N 3.09Å; V54-L59 HydrophobicContact CG1-CB 3.62Å; V54-L59 HydrophobicContact CG1-CD1 4.43Å; V54-I60 HydrophobicContact CB-CG1 4.48Å; V54-I60 HydrophobicContact CG1-CG1 3.85Å
55T88.7Confident91Very high109 Ų10985.5 Ų85.567%0.66941%0.413SS*.  trans-110.2-22.1-177.451.90000113.4N53 P57N53-T55 PolarHBondContact O-N 3.04Å; T55-P57 WeakPolarHBondContact O-CD 3.18Å
56D90.8Very high90.9Very high66 Ų6681.8 Ų81.835%0.35340%0.397SS..  trans-66.8117.9178.2178.73.4000110.5K58 L59 I60D56-K58 PolarHBondContact O-N 2.91Å; D56-K58 PolarHBondContact OD1-N 3.46Å; D56-L59 HydrophobicContact CB-CB 4.14Å; D56-L59 HydrophobicContact CB-CD1 4Å; D56-L59 HydrophobicContact CB-CG 4.04Å; D56-L59 PolarHBondContact O-N 3.15Å; D56-L59 VanDerWaalsContact O-N 3.14Å; D56-I60 WeakPolarHBondContact O-CG1 3.17Å; D56-I60 PolarHBondContact O-N 3.36Å
57P89.1Confident90.8Very high83 Ų8379 Ų7954%0.53938%0.38SS..Hα-helixtrans-53.7-34.9177.9-25.834.9000114T55 I60 K61T55-P57 WeakPolarHBondContact O-CD 3.18Å; P57-I60 PolarHBondContact O-N 2.97Å; P57-K61 PolarHBondContact O-N 3.41Å
58K90.1Very high90.8Very high158 Ų15883.5 Ų83.569%0.68740%0.401SS*.Hα-helixtrans-68-43.9179.7-68-177.4-179.4178.10111.4D56 K61 Q62D56-K58 PolarHBondContact O-N 2.91Å; D56-K58 PolarHBondContact OD1-N 3.46Å; K58-K61 PolarHBondContact O-N 3.42Å; K58-Q62 WeakPolarHBondContact O-CG 3.22Å; K58-Q62 PolarHBondContact O-N 3.19Å
59L89.6Confident90.8Very high80 Ų8082.2 Ų82.242%0.41940%0.4SS..Hα-helixtrans-66.6-39.6176.8-67.2179.1000111.5V54 D56 K61 Q62 C63V54-L59 HydrophobicContact CG1-CB 3.62Å; V54-L59 HydrophobicContact CG1-CD1 4.43Å; D56-L59 HydrophobicContact CB-CB 4.14Å; D56-L59 HydrophobicContact CB-CD1 4Å; D56-L59 HydrophobicContact CB-CG 4.04Å; D56-L59 PolarHBondContact O-N 3.15Å; D56-L59 VanDerWaalsContact O-N 3.14Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 2.9Å; L59-Q62 PolarHBondContact O-N 2.89Å; L59-C63 PolarHBondContact O-N 3.08Å; L59-C63 PolarHBondContact O-SG 3.02Å
60I90.3Very high90.7Very high12 Ų1275.2 Ų75.26%0.06237%0.374CS..Hα-helixtrans-60.5-44.2175.7-61.8166.6000110.5M1 T5 V9 V54 D56 P57 Q62 C63 L64M1-I60 HydrophobicContact CG-CD1 4.41Å; T5-I60 HydrophobicContact CG2-CB 4.25Å; T5-I60 HydrophobicContact CG2-CD1 4.49Å; T5-I60 HydrophobicContact CG2-CG2 3.38Å; V9-I60 HydrophobicContact CG2-CG2 3.98Å; V54-I60 HydrophobicContact CB-CG1 4.48Å; V54-I60 HydrophobicContact CG1-CG1 3.85Å; D56-I60 WeakPolarHBondContact O-CG1 3.17Å; D56-I60 PolarHBondContact O-N 3.36Å; P57-I60 PolarHBondContact O-N 2.97Å; I60-Q62 PolarHBondContact O-N 3.19Å; I60-C63 WeakPolarHBondContact O-CB 3.48Å; I60-C63 PolarHBondContact O-N 3.13Å; I60-L64 HydrophobicContact CG2-CD1 4.31Å; I60-L64 WeakPolarHBondContact O-CG 3.41Å; I60-L64 PolarHBondContact O-N 3.16Å
61K91.1Very high90.8Very high132 Ų13271.8 Ų71.857%0.57436%0.36SS*.Hα-helixtrans-60.5-44.2176.6-166.9-176.1-177.7-162.80111.9P57 K58 L59 C63 L64 E65P57-K61 PolarHBondContact O-N 3.41Å; K58-K61 PolarHBondContact O-N 3.42Å; L59-K61 VanDerWaalsContact C-N 3.31Å; L59-K61 PolarHBondContact O-N 2.9Å; K61-C63 VanDerWaalsContact C-N 3.31Å; K61-C63 PolarHBondContact O-N 3.07Å; K61-L64 WeakPolarHBondContact O-CB 3.43Å; K61-L64 PolarHBondContact O-N 3.22Å; K61-L64 VanDerWaalsContact O-N 3.16Å; K61-E65 WeakPolarHBondContact CE-OE1 3.37Å; K61-E65 IonicContact NZ-OE1 2.74Å; K61-E65 WeakPolarHBondContact O-CG 3.47Å; K61-E65 PolarHBondContact O-N 3.37Å
62Q90.8Very high90.8Very high83 Ų8376.1 Ų76.139%0.38838%0.378SS..Hα-helixtrans-60.6-39.5175.2-71.7-1791.500112.4K58 L59 I60 L64 E66K58-Q62 WeakPolarHBondContact O-CG 3.22Å; K58-Q62 PolarHBondContact O-N 3.19Å; L59-Q62 PolarHBondContact O-N 2.89Å; I60-Q62 PolarHBondContact O-N 3.19Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-E66 WeakPolarHBondContact O-CB 3.44Å; Q62-E66 PolarHBondContact O-N 3.37Å
63C91.6Very high90.8Very high37 Ų3768.5 Ų68.525%0.2535%0.352CS..Hα-helixtrans-65.8-36.8175.6-68.20000112.4L59 I60 K61 C67L59-C63 PolarHBondContact O-N 3.08Å; L59-C63 PolarHBondContact O-SG 3.02Å; I60-C63 WeakPolarHBondContact O-CB 3.48Å; I60-C63 PolarHBondContact O-N 3.13Å; K61-C63 VanDerWaalsContact C-N 3.31Å; K61-C63 PolarHBondContact O-N 3.07Å; C63-C67 WeakPolarHBondContact O-CB 3.28Å; C63-C67 PolarHBondContact O-N 3.37Å
64L92.1Very high90.9Very high24 Ų2463 Ų6313%0.12633%0.325CS..Hα-helixtrans-65.4-51.5174.9-72171.4000110.9E8 V9 L12 I60 K61 Q62 E66 C67 E68E8-L64 HydrophobicContact CB-CD1 4.32Å; V9-L64 HydrophobicContact CB-CD2 4.42Å; V9-L64 HydrophobicContact CG2-CD1 4.3Å; V9-L64 HydrophobicContact CG2-CD2 3.78Å; V9-L64 HydrophobicContact CG2-CG 4.25Å; L12-L64 HydrophobicContact CD1-CD2 3.85Å; I60-L64 HydrophobicContact CG2-CD1 4.31Å; I60-L64 WeakPolarHBondContact O-CG 3.41Å; I60-L64 PolarHBondContact O-N 3.16Å; K61-L64 WeakPolarHBondContact O-CB 3.43Å; K61-L64 PolarHBondContact O-N 3.22Å; K61-L64 VanDerWaalsContact O-N 3.16Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; L64-E66 VanDerWaalsContact C-N 3.3Å; L64-E66 PolarHBondContact O-N 3.11Å; L64-C67 PolarHBondContact O-N 3.08Å; L64-E68 WeakPolarHBondContact O-CG 3.23Å; L64-E68 PolarHBondContact O-N 3.02Å
65E92.4Very high91Very high82 Ų8265.5 Ų65.538%0.38334%0.336SS..Hα-helixtrans-57.5-42.8177.4-71.3171-178.500111.5K61 C67 E68 A69K61-E65 WeakPolarHBondContact CE-OE1 3.37Å; K61-E65 IonicContact NZ-OE1 2.74Å; K61-E65 WeakPolarHBondContact O-CG 3.47Å; K61-E65 PolarHBondContact O-N 3.37Å; E65-C67 PolarHBondContact O-N 3.13Å; E65-E68 PolarHBondContact O-N 3.32Å; E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 3.09Å
66E91.3Very high91Very high7 Ų766.9 Ų66.93%0.03334%0.335CS..Hα-helixtrans-59.8-45.3173.4174.6173.5-169.700112Q62 L64 A69 R70 I113 K116 S117Q62-E66 WeakPolarHBondContact O-CB 3.44Å; Q62-E66 PolarHBondContact O-N 3.37Å; L64-E66 VanDerWaalsContact C-N 3.3Å; L64-E66 PolarHBondContact O-N 3.11Å; E66-A69 PolarHBondContact O-N 2.83Å; E66-R70 WeakPolarHBondContact O-CG 3.21Å; E66-R70 PolarHBondContact O-N 3.35Å; E66-R70 IonicContact OE1-CZ 3.25Å; E66-R70 VanDerWaalsContact OE1-CZ 3.3Å; E66-R70 IonicContact OE1-NE 2.69Å; E66-R70 PolarHBondContact OE1-NE 2.92Å; E66-R70 VanDerWaalsContact OE1-NE 3.14Å; E66-R70 IonicContact OE1-NH2 2.97Å; E66-R70 PolarHBondContact OE1-NH2 2.96Å; E66-I113 HydrophobicContact CB-CG2 4.1Å; E66-I113 WeakPolarHBondContact CG-O 3.28Å; E66-K116 PolarHBondContact OE1-N 2.87Å; E66-S117 VanDerWaalsContact CD-OG 3.27Å; E66-S117 VanDerWaalsContact OE1-CB 3.3Å; E66-S117 WeakPolarHBondContact OE1-CB 3.31Å; E66-S117 PolarHBondContact OE1-N 3.43Å; E66-S117 PolarHBondContact OE1-OG 3.37Å; E66-S117 PolarHBondContact OE2-OG 2.87Å
67C92.1Very high90.9Very high22 Ų2268.5 Ų68.515%0.14934%0.337CS..Hα-helixtrans-67.8-39.4-177.5-156.80000112L12 C63 L64 E65 R70 I71L12-C67 HydrophobicContact CD1-CB 4.27Å; L12-C67 HydrophobicContact CD2-CB 3.7Å; L12-C67 WeakPolarHBondContact CD2-SG 3.4Å; C63-C67 WeakPolarHBondContact O-CB 3.28Å; C63-C67 PolarHBondContact O-N 3.37Å; L64-C67 PolarHBondContact O-N 3.08Å; E65-C67 PolarHBondContact O-N 3.13Å; C67-R70 PolarHBondContact O-N 3.38Å; C67-I71 WeakPolarHBondContact O-CG1 3.42Å; C67-I71 PolarHBondContact O-N 2.95Å
68E93.1Very high90.9Very high114 Ų11467.4 Ų67.453%0.53333%0.327SS..Hα-helixtrans-62.6-47.4173.8-67.9-172.3153.800111.7L12 L64 E65 R70 I71 E72L12-E68 HydrophobicContact CD1-CG 3.6Å; L64-E68 WeakPolarHBondContact O-CG 3.23Å; L64-E68 PolarHBondContact O-N 3.02Å; E65-E68 PolarHBondContact O-N 3.32Å; E68-R70 VanDerWaalsContact C-N 3.29Å; E68-R70 PolarHBondContact O-N 3.11Å; E68-I71 PolarHBondContact O-N 3.14Å; E68-I71 VanDerWaalsContact O-N 3.15Å; E68-E72 PolarHBondContact O-N 3.35Å
69A91.4Very high90.8Very high25 Ų2563.5 Ų63.521%0.20731%0.312CS..Hα-helixtrans-60.3-39.4177.600000112E65 E66 E72 I73E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 3.09Å; E66-A69 PolarHBondContact O-N 2.83Å; A69-E72 PolarHBondContact O-N 3.22Å; A69-I73 WeakPolarHBondContact O-CB 3.28Å; A69-I73 WeakPolarHBondContact O-CD1 3.29Å; A69-I73 VanDerWaalsContact O-CG1 3.29Å; A69-I73 WeakPolarHBondContact O-CG1 3.26Å; A69-I73 PolarHBondContact O-N 3.15Å
70R91Very high90.7Very high39 Ų3960.5 Ų60.515%0.14730%0.298CS..Hα-helixtrans-62.4-45.7174.2-76.2177.4-179.5-135.6-2.7112E43 L47 E66 C67 E68 E72 I73 G74 Y114E43-R70 IonicContact OE1-NH1 3.14Å; E43-R70 PolarHBondContact OE1-NH1 3.42Å; L47-R70 VanDerWaalsContact CD1-NH1 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.21Å; E66-R70 PolarHBondContact O-N 3.35Å; E66-R70 IonicContact OE1-CZ 3.25Å; E66-R70 VanDerWaalsContact OE1-CZ 3.3Å; E66-R70 IonicContact OE1-NE 2.69Å; E66-R70 PolarHBondContact OE1-NE 2.92Å; E66-R70 VanDerWaalsContact OE1-NE 3.14Å; E66-R70 IonicContact OE1-NH2 2.97Å; E66-R70 PolarHBondContact OE1-NH2 2.96Å; C67-R70 PolarHBondContact O-N 3.38Å; E68-R70 VanDerWaalsContact C-N 3.29Å; E68-R70 PolarHBondContact O-N 3.11Å; R70-E72 VanDerWaalsContact C-N 3.34Å; R70-I73 PolarHBondContact O-N 3.36Å; R70-G74 PolarHBondContact O-N 3.46Å; R70-Y114 VanDerWaalsContact CG-O 3.3Å; R70-Y114 WeakPolarHBondContact CG-O 3.23Å; R70-Y114 VanDerWaalsContact CZ-O 3.24Å; R70-Y114 PolarHBondContact NE-O 3.14Å; R70-Y114 PolarHBondContact NH2-O 3.22Å
71I92.3Very high90.5Very high23 Ų2364.6 Ų64.612%0.11831%0.313CS..Hα-helixtrans-60.7-46.5177.8-72.8167.4000110.4L12 I16 I19 C67 E68 G74 L75L12-I71 HydrophobicContact CD2-CD1 3.81Å; L12-I71 HydrophobicContact CG-CD1 4.45Å; I16-I71 HydrophobicContact CG1-CD1 3.85Å; I16-I71 HydrophobicContact CG1-CG1 4.39Å; I19-I71 HydrophobicContact CD1-CD1 4.36Å; I19-I71 HydrophobicContact CD1-CG1 4.25Å; I19-I71 HydrophobicContact CD1-CG2 3.54Å; C67-I71 WeakPolarHBondContact O-CG1 3.42Å; C67-I71 PolarHBondContact O-N 2.95Å; E68-I71 PolarHBondContact O-N 3.14Å; E68-I71 VanDerWaalsContact O-N 3.15Å; I71-G74 PolarHBondContact O-N 2.96Å; I71-L75 HydrophobicContact CG2-CD1 3.74Å; I71-L75 HydrophobicContact CG2-CG 4.37Å; I71-L75 WeakPolarHBondContact O-CB 3.13Å; I71-L75 VanDerWaalsContact O-CG 3.28Å; I71-L75 WeakPolarHBondContact O-CG 3.16Å; I71-L75 PolarHBondContact O-N 3.31Å
72E92.1Very high90Very high140 Ų14060.1 Ų60.165%0.65430%0.298SS*.Hα-helixtrans-60.9-47-179.1-173.5177.6-173.800111.6E68 A69 R70 L75 H76E68-E72 PolarHBondContact O-N 3.35Å; A69-E72 PolarHBondContact O-N 3.22Å; R70-E72 VanDerWaalsContact C-N 3.34Å; E72-L75 PolarHBondContact O-N 2.81Å; E72-H76 WeakPolarHBondContact O-CB 3.38Å; E72-H76 PolarHBondContact O-N 3.41Å
73I88.9Confident89.1Confident39 Ų3960.4 Ų60.420%0.230%0.295CS..Hα-helixtrans-64.6-43.6178.1-72.3168.9000111.3A69 R70 L75 H76 Y77 Y114A69-I73 WeakPolarHBondContact O-CB 3.28Å; A69-I73 WeakPolarHBondContact O-CD1 3.29Å; A69-I73 VanDerWaalsContact O-CG1 3.29Å; A69-I73 WeakPolarHBondContact O-CG1 3.26Å; A69-I73 PolarHBondContact O-N 3.15Å; R70-I73 PolarHBondContact O-N 3.36Å; I73-L75 VanDerWaalsContact C-N 3.34Å; I73-L75 PolarHBondContact O-N 3.49Å; I73-H76 PolarHBondContact O-N 3.41Å; I73-Y77 HydrophobicContact CG2-CD2 3.86Å; I73-Y77 HydrophobicContact CG2-CE2 4.23Å; I73-Y77 WeakPolarHBondContact O-CD2 3.4Å; I73-Y77 PolarHBondContact O-N 2.94Å; I73-Y114 HydrophobicContact CD1-CD1 2.98Å; I73-Y114 HydrophobicContact CD1-CD2 3.83Å; I73-Y114 HydrophobicContact CD1-CE1 3.16Å; I73-Y114 HydrophobicContact CD1-CE2 4.01Å; I73-Y114 HydrophobicContact CD1-CG 3.34Å; I73-Y114 HydrophobicContact CG1-CD1 4.49Å
74G90Very high88Confident10 Ų1063.1 Ų63.110%0.10331%0.312CS..Hα-helixtrans-60.7-45178.900000111.7W23 R70 I71 N78 I79W23-G74 WeakPolarHBondContact CH2-O 3.43Å; R70-G74 PolarHBondContact O-N 3.46Å; I71-G74 PolarHBondContact O-N 2.96Å; G74-N78 CarbonylContact O-C 3.49Å; G74-N78 WeakPolarHBondContact O-CA 3.45Å; G74-N78 PolarHBondContact O-N 2.96Å; G74-I79 WeakPolarHBondContact CA-O 3.45Å; G74-I79 PolarHBondContact O-N 3.23Å; G74-I79 VanDerWaalsContact O-N 3.11Å
75L91.7Very high86.8Confident90 Ų9065 Ų6547%0.47132%0.322SS..Hα-helixtrans-69.3-39.9176.8-68.5173.3000112.7I19 W23 I71 E72 I73I19-L75 HydrophobicContact CD1-CD1 4.38Å; I19-L75 HydrophobicContact CG2-CD2 4.14Å; W23-L75 HydrophobicContact CZ3-CD2 4.11Å; I71-L75 HydrophobicContact CG2-CD1 3.74Å; I71-L75 HydrophobicContact CG2-CG 4.37Å; I71-L75 WeakPolarHBondContact O-CB 3.13Å; I71-L75 VanDerWaalsContact O-CG 3.28Å; I71-L75 WeakPolarHBondContact O-CG 3.16Å; I71-L75 PolarHBondContact O-N 3.31Å; E72-L75 PolarHBondContact O-N 2.81Å; I73-L75 VanDerWaalsContact C-N 3.34Å; I73-L75 PolarHBondContact O-N 3.49Å
76H90.1Very high85.2Confident138 Ų13869 Ų6964%0.63934%0.34SS*.Hα-helixtrans-66.6-41.7-177.9179.174.7000112.4E72 I73E72-H76 WeakPolarHBondContact O-CB 3.38Å; E72-H76 PolarHBondContact O-N 3.41Å; I73-H76 PolarHBondContact O-N 3.41Å
77Y87.6Confident83.6Confident100 Ų10071.4 Ų71.439%0.39235%0.353SS..Hα-helixtrans-94.4-5.6179.4-66.1-66.1000113.8I73 I79 R83I73-Y77 HydrophobicContact CG2-CD2 3.86Å; I73-Y77 HydrophobicContact CG2-CE2 4.23Å; I73-Y77 WeakPolarHBondContact O-CD2 3.4Å; I73-Y77 PolarHBondContact O-N 2.94Å; Y77-I79 WeakPolarHBondContact O-CG1 3.35Å; Y77-I79 PolarHBondContact O-N 3.43Å; Y77-R83 PolarHBondContact OH-NH2 3.01Å
78N88.6Confident82Confident61 Ų6174.5 Ų74.533%0.32637%0.373SS..THydrogen-bonded Turntrans51.743.1-171.2-159.132.6000113Q24 G74Q24-N78 PolarHBondContact O-ND2 3.1Å; G74-N78 CarbonylContact O-C 3.49Å; G74-N78 WeakPolarHBondContact O-CA 3.45Å; G74-N78 PolarHBondContact O-N 2.96Å
79I88.1Confident80.2Confident76 Ų7674.6 Ų74.639%0.3938%0.383SS..  trans-130.4120.9179.3-63.8167.1000107.6G74 Y77 Y81G74-I79 WeakPolarHBondContact CA-O 3.45Å; G74-I79 PolarHBondContact O-N 3.23Å; G74-I79 VanDerWaalsContact O-N 3.11Å; Y77-I79 WeakPolarHBondContact O-CG1 3.35Å; Y77-I79 PolarHBondContact O-N 3.43Å; I79-Y81 VanDerWaalsContact C-N 3.32Å; I79-Y81 HydrophobicContact CG2-CD2 4.21Å
80P88.5Confident78.6Confident17 Ų1777.8 Ų77.811%0.1140%0.395CS..  trans-81.3-16.8-176.833.2-32.9000112.6W23 E36 Y39 I40W23-P80 HydrophobicContact CH2-CB 4.32Å; W23-P80 HydrophobicContact CZ2-CB 3.88Å; W23-P80 HydrophobicContact CZ2-CG 4.07Å; E36-P80 HydrophobicContact CB-CG 3.79Å; E36-P80 HydrophobicContact CG-CG 3.6Å; Y39-P80 HydrophobicContact CD1-CB 4.34Å; Y39-P80 WeakPolarHBondContact CE1-O 3.46Å; I40-P80 HydrophobicContact CD1-CB 3.9Å; I40-P80 HydrophobicContact CG1-CB 3.64Å
81Y86.4Confident76.9Confident97 Ų9778.1 Ų78.138%0.3841%0.41SS..SBendtrans-83154-178-53.1-69.1000111.9E36 Y39 I79 R83E36-Y81 HydrophobicContact CG-CE2 4.16Å; Y39-Y81 AromaticContact CD1-CD1 3.68Å; Y39-Y81 HydrophobicContact CD1-CD1 3.68Å; Y39-Y81 AromaticContact CD1-CE1 3.73Å; Y39-Y81 HydrophobicContact CD1-CE1 3.73Å; Y39-Y81 AromaticContact CD2-CD1 3.95Å; Y39-Y81 HydrophobicContact CD2-CD1 3.95Å; Y39-Y81 AromaticContact CD2-CE1 3.63Å; Y39-Y81 HydrophobicContact CD2-CE1 3.63Å; Y39-Y81 AromaticContact CE1-CD1 3.6Å; Y39-Y81 HydrophobicContact CE1-CD1 3.6Å; Y39-Y81 HydrophobicContact CE1-CE1 4.12Å; Y39-Y81 HydrophobicContact CE1-CG 4.48Å; Y39-Y81 AromaticContact CE2-CD1 3.85Å; Y39-Y81 HydrophobicContact CE2-CD1 3.85Å; Y39-Y81 HydrophobicContact CE2-CE1 4.01Å; Y39-Y81 AromaticContact CG-CD1 3.86Å; Y39-Y81 HydrophobicContact CG-CD1 3.86Å; Y39-Y81 AromaticContact CG-CE1 3.47Å; Y39-Y81 HydrophobicContact CG-CE1 3.47Å; Y39-Y81 VanDerWaalsContact CG-CE1 3.47Å; Y39-Y81 AromaticContact CZ-CD1 3.68Å; I79-Y81 VanDerWaalsContact C-N 3.32Å; I79-Y81 HydrophobicContact CG2-CD2 4.21Å; Y81-R83 PolarHBondContact O-N 3.1Å
82P80.3Confident75.1Confident39 Ų3985.6 Ų85.625%0.25345%0.449SS..PPolyproline II helixtrans-62.2123.1173.8-5.813.8000109.9Y39 P84 L115 H118Y39-P82 VanDerWaalsContact OH-CD 3.25Å; Y39-P82 WeakPolarHBondContact OH-CD 3.45Å; P82-P84 WeakPolarHBondContact O-CD 3.24Å; P82-L115 HydrophobicContact CB-CD2 3.49Å; P82-L115 VanDerWaalsContact CB-CD2 3.49Å; P82-H118 WeakPolarHBondContact CG-CE1 3.15Å; P82-H118 WeakPolarHBondContact CG-ND1 3.37Å; P82-H118 VanDerWaalsContact CG-NE2 3.27Å; P82-H118 WeakPolarHBondContact CG-NE2 3.24Å
83R72.4Confident73.6Confident89 Ų8980.2 Ų80.234%0.33643%0.429SS..PPolyproline II helixtrans-66.2123.1178.6-163.2-154.5-126.4-155.72.9110.1Y77 Y81 I85Y77-R83 PolarHBondContact OH-NH2 3.01Å; Y81-R83 PolarHBondContact O-N 3.1Å; R83-I85 PolarHBondContact O-N 3.02Å
84P66.8Low72.4Confident93 Ų9382.3 Ų82.360%0.60445%0.447SS*.PPolyproline II helixtrans-58.6133.6171.6-21.932.9000110.4P82 H86P82-P84 WeakPolarHBondContact O-CD 3.24Å; P84-H86 PolarHBondContact O-N 2.85Å
85I66.8Low71.2Confident64 Ų6489.3 Ų89.333%0.32848%0.475SS..  trans-73.3115.5172.7-52.1167.9000107R83 L87 P112 L115R83-I85 PolarHBondContact O-N 3.02Å; I85-L87 HydrophobicContact CG2-CB 4.46Å; I85-L87 HydrophobicContact CG2-CD1 3.51Å; I85-L87 PolarHBondContact O-N 2.87Å; I85-P112 HydrophobicContact CD1-CG 4.13Å; I85-P112 HydrophobicContact CG1-CG 4.33Å; I85-L115 HydrophobicContact CD1-CD1 3.64Å; I85-L115 HydrophobicContact CG1-CD1 3.5Å; I85-L115 VanDerWaalsContact CG1-CD1 3.5Å
86H60Low70Confident165 Ų16593.9 Ų93.976%0.76449%0.494SS*.  trans-70.363.6170.8-60.3160.1000110.4P84P84-H86 PolarHBondContact O-N 2.85Å
87L57.1Low69Low59 Ų5988.7 Ų88.731%0.30948%0.477SS..  trans-86.4132.4162.3-116.282.2000107.3I85 P89 R107I85-L87 HydrophobicContact CG2-CB 4.46Å; I85-L87 HydrophobicContact CG2-CD1 3.51Å; I85-L87 PolarHBondContact O-N 2.87Å; L87-P89 VanDerWaalsContact O-N 3.09Å; L87-R107 VanDerWaalsContact CB-NH2 3.29Å; L87-R107 HydrophobicContact CD2-CG 3.48Å; L87-R107 VanDerWaalsContact CD2-CG 3.48Å; L87-R107 VanDerWaalsContact CD2-CZ 3.42Å
88P58.1Low68.2Low87 Ų8795 Ų9557%0.56550%0.5SS*.  trans-50.5123.3177.517.9-29.5000109.3M90P88-M90 PolarHBondContact O-N 3.19Å; P88-M90 VanDerWaalsContact O-N 3.1Å
89P55.9Low67.4Low116 Ų11695 Ų9575%0.75351%0.509SS*.SBendtrans-64.7114.3174.925.5-30.2000106.4L87L87-P89 VanDerWaalsContact O-N 3.09Å
90M58.4Low66.6Low92 Ų9293.1 Ų93.145%0.45350%0.498SS..  trans48.781.9176-50.4-62.3178.800112.3P88 L92 F100P88-M90 PolarHBondContact O-N 3.19Å; P88-M90 VanDerWaalsContact O-N 3.1Å; M90-L92 PolarHBondContact O-N 2.87Å; M90-F100 HydrophobicContact CE-CE2 3.74Å; M90-F100 HydrophobicContact CE-CZ 4.37Å; M90-F100 HydrophobicContact SD-CD2 4.17Å; M90-F100 HydrophobicContact SD-CE2 3.64Å
91G54.6Low66Low45 Ų45101.6 Ų101.646%0.46453%0.528SS..  trans-61.182.3162.800000109.4A93G91-A93 PolarHBondContact O-N 2.88Å
92L55.8Low65.5Low180 Ų180102.7 Ų102.794%0.94254%0.536SS*.SBendtrans45.74.5171.5-62.2165.1000118.3M90M90-L92 PolarHBondContact O-N 2.87Å
93A58.9Low65.3Low28 Ų28103.4 Ų103.423%0.23154%0.536CS..  trans-81.6126.6-179.400000110.5G91 K95G91-A93 PolarHBondContact O-N 2.88Å; A93-K95 PolarHBondContact O-N 2.78Å
94S64.9Low65.5Low83 Ų83103.3 Ų103.358%0.5854%0.54SS*.  trans-49.3133.5172.6147.90000111.2Q96 G97S94-Q96 PolarHBondContact O-N 3.06Å; S94-Q96 PolarHBondContact OG-N 3.47Å; S94-G97 PolarHBondContact O-N 3.43Å
95K64.9Low66.1Low157 Ų157105.5 Ų105.568%0.68354%0.54SS*.THydrogen-bonded Turntrans-57.2-6.3-177.8-67.1-176.9178179.90114.6A93A93-K95 PolarHBondContact O-N 2.78Å
96Q65.2Low66.6Low186 Ų186106.7 Ų106.787%0.86955%0.546SS*.THydrogen-bonded Turntrans-123.27.9-172.8-64.6176.7-9.500113.9S94S94-Q96 PolarHBondContact O-N 3.06Å; S94-Q96 PolarHBondContact OG-N 3.47Å
97G70.3Confident67.3Low28 Ų28103 Ų10329%0.28953%0.526SS..SBendtrans-90.4161-177.700000115.8S94 A99 F100 R101S94-G97 PolarHBondContact O-N 3.43Å; G97-A99 PolarHBondContact O-N 2.68Å; G97-F100 VanDerWaalsContact O-CB 3.3Å; G97-F100 WeakPolarHBondContact O-CB 3.32Å; G97-F100 PolarHBondContact O-N 2.83Å; G97-R101 PolarHBondContact O-N 2.86Å
98R70.7Confident68.2Low232 Ų232107.3 Ų107.388%0.87554%0.542SS*.Hα-helixtrans-56.1-35.2168.6-81-174.9-164.6172.95.2112.5F100 R101 H102R98-F100 VanDerWaalsContact C-N 3.26Å; R98-F100 PolarHBondContact O-N 3.21Å; R98-R101 PolarHBondContact O-N 3.5Å; R98-H102 PolarHBondContact O-N 3.3Å; R98-H102 VanDerWaalsContact O-N 3.07Å
99A70.8Confident69.1Low62 Ų62109.3 Ų109.351%0.51255%0.547SS..Hα-helixtrans-59.6-37.6176.300000112G97 H102 Q103G97-A99 PolarHBondContact O-N 2.68Å; A99-H102 PolarHBondContact O-N 3.5Å; A99-Q103 WeakPolarHBondContact O-CB 3.32Å; A99-Q103 PolarHBondContact O-N 2.82Å
100F72.6Confident70.1Confident36 Ų36107.1 Ų107.116%0.15853%0.534CS..Hα-helixtrans-62.9-48.7176.2-179.6-100.3000111.5M90 G97 R98 H102 Q103 E104M90-F100 HydrophobicContact CE-CE2 3.74Å; M90-F100 HydrophobicContact CE-CZ 4.37Å; M90-F100 HydrophobicContact SD-CD2 4.17Å; M90-F100 HydrophobicContact SD-CE2 3.64Å; G97-F100 VanDerWaalsContact O-CB 3.3Å; G97-F100 WeakPolarHBondContact O-CB 3.32Å; G97-F100 PolarHBondContact O-N 2.83Å; R98-F100 VanDerWaalsContact C-N 3.26Å; R98-F100 PolarHBondContact O-N 3.21Å; F100-H102 VanDerWaalsContact C-N 3.33Å; F100-H102 PolarHBondContact O-N 3.03Å; F100-Q103 PolarHBondContact O-N 3.22Å; F100-E104 HydrophobicContact CD1-CG 4.29Å; F100-E104 HydrophobicContact CE1-CG 3.84Å; F100-E104 VanDerWaalsContact CE1-OE2 3.32Å; F100-E104 WeakPolarHBondContact CE1-OE2 3.49Å; F100-E104 HydrophobicContact CE2-CG 4.33Å; F100-E104 HydrophobicContact CZ-CG 3.85Å; F100-E104 PolarHBondContact O-N 3.2Å
101R75.3Confident70.8Confident195 Ų195106.4 Ų106.474%0.73653%0.529SS*.Hα-helixtrans-61.4-40.1177.7-65-175.7-177.2179.30.8112.6G97 R98 K105G97-R101 PolarHBondContact O-N 2.86Å; R98-R101 PolarHBondContact O-N 3.5Å; R101-K105 PolarHBondContact O-N 3.42Å
102H76.1Confident72.1Confident120 Ų120106 Ų10656%0.55652%0.518SS*.Hα-helixtrans-64.6-44.5176.5-176.970.6000111.2R98 A99 F100 K105 L106R98-H102 PolarHBondContact O-N 3.3Å; R98-H102 VanDerWaalsContact O-N 3.07Å; A99-H102 PolarHBondContact O-N 3.5Å; F100-H102 VanDerWaalsContact C-N 3.33Å; F100-H102 PolarHBondContact O-N 3.03Å; H102-K105 PolarHBondContact O-N 2.92Å; H102-L106 WeakPolarHBondContact O-CG 3.4Å; H102-L106 PolarHBondContact O-N 3.22Å
103Q75.2Confident73.4Confident55 Ų55102.6 Ų102.626%0.25750%0.499SS..Hα-helixtrans-62.7-45.2176.5-166.3173.423.900111.5A99 F100 K105 L106 R107A99-Q103 WeakPolarHBondContact O-CB 3.32Å; A99-Q103 PolarHBondContact O-N 2.82Å; F100-Q103 PolarHBondContact O-N 3.22Å; Q103-K105 VanDerWaalsContact C-N 3.3Å; Q103-K105 PolarHBondContact O-N 3.17Å; Q103-L106 PolarHBondContact O-N 3.1Å; Q103-R107 VanDerWaalsContact O-CG 3.28Å; Q103-R107 WeakPolarHBondContact O-CG 2.79Å; Q103-R107 PolarHBondContact O-N 2.85Å
104E76.8Confident74.2Confident86 Ų86103.1 Ų103.140%0.40250%0.496SS..Hα-helixtrans-57.9-40.6174-76.5-167.2121.900112.8F100 R107 K108F100-E104 HydrophobicContact CD1-CG 4.29Å; F100-E104 HydrophobicContact CE1-CG 3.84Å; F100-E104 VanDerWaalsContact CE1-OE2 3.32Å; F100-E104 WeakPolarHBondContact CE1-OE2 3.49Å; F100-E104 HydrophobicContact CE2-CG 4.33Å; F100-E104 HydrophobicContact CZ-CG 3.85Å; F100-E104 PolarHBondContact O-N 3.2Å; E104-R107 WeakPolarHBondContact O-CB 3.4Å; E104-R107 PolarHBondContact O-N 3.39Å; E104-K108 WeakPolarHBondContact O-CG 3.43Å; E104-K108 PolarHBondContact O-N 3.18Å
105K79.3Confident75Confident139 Ų139100.1 Ų100.160%0.60447%0.473SS*.Hα-helixtrans-63.3-47.8176.1-173.4179.4178.7-178.40111.1R101 H102 Q103 R107 K108 L109R101-K105 PolarHBondContact O-N 3.42Å; H102-K105 PolarHBondContact O-N 2.92Å; Q103-K105 VanDerWaalsContact C-N 3.3Å; Q103-K105 PolarHBondContact O-N 3.17Å; K105-R107 PolarHBondContact O-N 3.28Å; K105-K108 PolarHBondContact O-N 3.47Å; K105-L109 HydrophobicContact CG-CD1 4.3Å; K105-L109 WeakPolarHBondContact O-CG 3.41Å; K105-L109 PolarHBondContact O-N 3.07Å; K105-L109 VanDerWaalsContact O-N 3.07Å
106L77.1Confident75.7Confident90 Ų9098.2 Ų98.247%0.47147%0.465SS..Hα-helixtrans-58.3-38.9175.4-69.7176000111.4H102 Q103 L109 S110H102-L106 WeakPolarHBondContact O-CG 3.4Å; H102-L106 PolarHBondContact O-N 3.22Å; Q103-L106 PolarHBondContact O-N 3.1Å; L106-L109 PolarHBondContact O-N 3.45Å; L106-S110 WeakPolarHBondContact O-CB 3.45Å; L106-S110 PolarHBondContact O-N 3.17Å; L106-S110 PolarHBondContact O-OG 3.43Å
107R75.5Confident76.1Confident88 Ų8890.2 Ų90.233%0.33243%0.429SS..Hα-helixtrans-62.1-45.9175.6-69.7-174.678.7117.81.8112.8L87 Q103 E104 K105 L109 S110 K111L87-R107 VanDerWaalsContact CB-NH2 3.29Å; L87-R107 HydrophobicContact CD2-CG 3.48Å; L87-R107 VanDerWaalsContact CD2-CG 3.48Å; L87-R107 VanDerWaalsContact CD2-CZ 3.42Å; Q103-R107 VanDerWaalsContact O-CG 3.28Å; Q103-R107 WeakPolarHBondContact O-CG 2.79Å; Q103-R107 PolarHBondContact O-N 2.85Å; E104-R107 WeakPolarHBondContact O-CB 3.4Å; E104-R107 PolarHBondContact O-N 3.39Å; K105-R107 PolarHBondContact O-N 3.28Å; R107-L109 PolarHBondContact O-N 3.24Å; R107-S110 PolarHBondContact O-N 3.27Å; R107-S110 PolarHBondContact O-OG 2.94Å; R107-K111 VanDerWaalsContact O-CG 3.29Å; R107-K111 WeakPolarHBondContact O-CG 2.98Å; R107-K111 PolarHBondContact O-N 3.39Å
108K76.8Confident76Confident149 Ų14991.2 Ų91.265%0.64843%0.427SS*.Hα-helixtrans-60.6-37.6176.9-72.6-180-179.5-177.70111.2E104 K105E104-K108 WeakPolarHBondContact O-CG 3.43Å; E104-K108 PolarHBondContact O-N 3.18Å; K105-K108 PolarHBondContact O-N 3.47Å
109L76.6Confident75.5Confident129 Ų12984.2 Ų84.268%0.67541%0.406SS*.Hα-helixtrans-73.2-35.2177.5-66.3170.8000112.9K105 L106 R107 K111K105-L109 HydrophobicContact CG-CD1 4.3Å; K105-L109 WeakPolarHBondContact O-CG 3.41Å; K105-L109 PolarHBondContact O-N 3.07Å; K105-L109 VanDerWaalsContact O-N 3.07Å; L106-L109 PolarHBondContact O-N 3.45Å; R107-L109 PolarHBondContact O-N 3.24Å; L109-K111 VanDerWaalsContact C-N 3.28Å; L109-K111 PolarHBondContact O-N 3.03Å
110S75.8Confident74.6Confident69 Ų6986.8 Ų86.848%0.48341%0.412SS..THydrogen-bonded Turntrans-87.19.5-178.873.80000113.7L106 R107L106-S110 WeakPolarHBondContact O-CB 3.45Å; L106-S110 PolarHBondContact O-N 3.17Å; L106-S110 PolarHBondContact O-OG 3.43Å; R107-S110 PolarHBondContact O-N 3.27Å; R107-S110 PolarHBondContact O-OG 2.94Å
111K74.5Confident73.3Confident78 Ų7889.2 Ų89.234%0.33943%0.425SS..  trans-67.4130.2177.4-72.1-165.9-178.4-174.70109.1R107 L109 D119R107-K111 VanDerWaalsContact O-CG 3.29Å; R107-K111 WeakPolarHBondContact O-CG 2.98Å; R107-K111 PolarHBondContact O-N 3.39Å; L109-K111 VanDerWaalsContact C-N 3.28Å; L109-K111 PolarHBondContact O-N 3.03Å; K111-D119 IonicContact NZ-OD1 2.61Å; K111-D119 PolarHBondContact NZ-OD1 2.97Å; K111-D119 IonicContact NZ-OD2 3.3Å; K111-D119 PolarHBondContact NZ-OD2 2.94Å
112P82.3Confident71.3Confident36 Ų3688.2 Ų88.223%0.23445%0.448CS..  trans-71.4151.3177.334-35.8000109.8I85 Y114 L115I85-P112 HydrophobicContact CD1-CG 4.13Å; I85-P112 HydrophobicContact CG1-CG 4.33Å; P112-Y114 HydrophobicContact CB-CD1 3.58Å; P112-Y114 HydrophobicContact CB-CE1 3.22Å; P112-Y114 HydrophobicContact CG-CD1 3.93Å; P112-Y114 HydrophobicContact CG-CE1 3.38Å; P112-Y114 HydrophobicContact CG-CE2 4.12Å; P112-Y114 VanDerWaalsContact CG-CZ 3.47Å; P112-Y114 PolarHBondContact O-N 3.47Å; P112-Y114 VanDerWaalsContact O-N 3.15Å; P112-L115 HydrophobicContact CG-CB 4.37Å; P112-L115 HydrophobicContact CG-CD1 3.74Å; P112-L115 HydrophobicContact CG-CG 4.1Å; P112-L115 PolarHBondContact O-N 3.04Å; P112-L115 VanDerWaalsContact O-N 3.07Å
113I82.7Confident71.1Confident108 Ų10886.6 Ų86.655%0.55444%0.443SS*.G310 helixtrans-54.9-39.5-172.8-67.6166.8000111.6E66 L115 K116E66-I113 HydrophobicContact CB-CG2 4.1Å; E66-I113 WeakPolarHBondContact CG-O 3.28Å; I113-L115 PolarHBondContact O-N 2.49Å; I113-L115 VanDerWaalsContact O-N 3.1Å; I113-K116 PolarHBondContact O-N 3.08Å
114Y75.6Confident70.8Confident40 Ų4088.3 Ų88.316%0.15745%0.452CS..G310 helixtrans-67.9-5.2-177.668.8-95.1000115.2R70 I73 P112R70-Y114 VanDerWaalsContact CG-O 3.3Å; R70-Y114 WeakPolarHBondContact CG-O 3.23Å; R70-Y114 VanDerWaalsContact CZ-O 3.24Å; R70-Y114 PolarHBondContact NE-O 3.14Å; R70-Y114 PolarHBondContact NH2-O 3.22Å; I73-Y114 HydrophobicContact CD1-CD1 2.98Å; I73-Y114 HydrophobicContact CD1-CD2 3.83Å; I73-Y114 HydrophobicContact CD1-CE1 3.16Å; I73-Y114 HydrophobicContact CD1-CE2 4.01Å; I73-Y114 HydrophobicContact CD1-CG 3.34Å; I73-Y114 HydrophobicContact CG1-CD1 4.49Å; P112-Y114 HydrophobicContact CB-CD1 3.58Å; P112-Y114 HydrophobicContact CB-CE1 3.22Å; P112-Y114 HydrophobicContact CG-CD1 3.93Å; P112-Y114 HydrophobicContact CG-CE1 3.38Å; P112-Y114 HydrophobicContact CG-CE2 4.12Å; P112-Y114 VanDerWaalsContact CG-CZ 3.47Å; P112-Y114 PolarHBondContact O-N 3.47Å; P112-Y114 VanDerWaalsContact O-N 3.15Å
115L80.9Confident70.5Confident20 Ų2088.4 Ų88.411%0.10546%0.455CS..G310 helixtrans-106.9-3.5178.1-73.6175.7000114.2P82 I85 P112 I113 S117 H118P82-L115 HydrophobicContact CB-CD2 3.49Å; P82-L115 VanDerWaalsContact CB-CD2 3.49Å; I85-L115 HydrophobicContact CD1-CD1 3.64Å; I85-L115 HydrophobicContact CG1-CD1 3.5Å; I85-L115 VanDerWaalsContact CG1-CD1 3.5Å; P112-L115 HydrophobicContact CG-CB 4.37Å; P112-L115 HydrophobicContact CG-CD1 3.74Å; P112-L115 HydrophobicContact CG-CG 4.1Å; P112-L115 PolarHBondContact O-N 3.04Å; P112-L115 VanDerWaalsContact O-N 3.07Å; I113-L115 PolarHBondContact O-N 2.49Å; I113-L115 VanDerWaalsContact O-N 3.1Å; L115-S117 VanDerWaalsContact C-N 3.34Å; L115-S117 PolarHBondContact O-N 3.05Å; L115-H118 PolarHBondContact O-N 3.32Å
116K79.1Confident70Confident117 Ų11785.4 Ų85.451%0.50945%0.446SS..G310 helixtrans-58.5-41.9-171.7-171.5178.9-179.4-177.80113.1E66 I113 H118E66-K116 PolarHBondContact OE1-N 2.87Å; I113-K116 PolarHBondContact O-N 3.08Å; K116-H118 VanDerWaalsContact C-N 3.29Å; K116-H118 PolarHBondContact O-N 3.16Å
117S74.8Confident69.6Low17 Ų1785.1 Ų85.112%0.11945%0.445CS..G310 helixtrans-78.8-5.1-179.6-61.90000114.6E66 L115E66-S117 VanDerWaalsContact CD-OG 3.27Å; E66-S117 VanDerWaalsContact OE1-CB 3.3Å; E66-S117 WeakPolarHBondContact OE1-CB 3.31Å; E66-S117 PolarHBondContact OE1-N 3.43Å; E66-S117 PolarHBondContact OE1-OG 3.37Å; E66-S117 PolarHBondContact OE2-OG 2.87Å; L115-S117 VanDerWaalsContact C-N 3.34Å; L115-S117 PolarHBondContact O-N 3.05Å
118H67.9Low69.2Low50 Ų5084.9 Ų84.923%0.23145%0.452CS..G310 helixtrans-90.9-22-177.4-12879.8000113.6Y39 E43 P82 L115 K116 D120 I121Y39-H118 PolarHBondContact OH-CE1 3.47Å; E43-H118 IonicContact OE1-CE1 3.64Å; E43-H118 PolarHBondContact OE1-CE1 3.38Å; E43-H118 IonicContact OE1-ND1 2.67Å; E43-H118 PolarHBondContact OE1-ND1 3.41Å; P82-H118 WeakPolarHBondContact CG-CE1 3.15Å; P82-H118 WeakPolarHBondContact CG-ND1 3.37Å; P82-H118 VanDerWaalsContact CG-NE2 3.27Å; P82-H118 WeakPolarHBondContact CG-NE2 3.24Å; L115-H118 PolarHBondContact O-N 3.32Å; K116-H118 VanDerWaalsContact C-N 3.29Å; K116-H118 PolarHBondContact O-N 3.16Å; H118-D120 PolarHBondContact O-N 3.31Å; H118-I121 PolarHBondContact O-N 3.01Å
119D60.6Low68.6Low84 Ų8480.4 Ų80.445%0.44944%0.438SS..THydrogen-bonded Turntrans-64.8-20.8179.5-75.3-31.6000113.7K111K111-D119 IonicContact NZ-OD1 2.61Å; K111-D119 PolarHBondContact NZ-OD1 2.97Å; K111-D119 IonicContact NZ-OD2 3.3Å; K111-D119 PolarHBondContact NZ-OD2 2.94Å
120D50.6Low68Low117 Ų11776.6 Ų76.663%0.62642%0.42SS*.THydrogen-bonded Turntrans-95.84.5-176.9-65.4-24000113.4K50 H118K50-D120 VanDerWaalsContact NZ-CG 3.27Å; K50-D120 IonicContact NZ-OD2 3.13Å; K50-D120 PolarHBondContact NZ-OD2 3.32Å; H118-D120 PolarHBondContact O-N 3.31Å
121I45.4Very low67.4Low87 Ų8777.3 Ų77.345%0.44642%0.415SS..  trans-103.63.4-178-55.6175000111L47 H118L47-I121 HydrophobicContact CD2-CD1 4.01Å; H118-I121 PolarHBondContact O-N 3.01Å
122S33.9Very low66.7Low173 Ų17377.2 Ų77.2100%1.2142%0.422SS*.  trans-92.10179-60.20000113.6

Retrieved 122 of 122 residues in 178 ms (Link to these results)

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