A0A077Z278_TRITR Loading...

Mitochondrial nucleoid factor 1

AlphaFold DB , UniProt , Accession A0A077Z278, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 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
1M41.7Very low85.3Confident241 Ų24184.8 Ų84.8100%1.18742%0.423SS*.  0118.10-68.8-172.9-15800107.5L3M1-L3 PolarHBondContact O-N 3.2Å
2T62.4Low86.1Confident143 Ų14377.8 Ų77.888%0.87739%0.388SS*.PPolyproline II helixtrans-68127.3171.5450000108.2
3L77.2Confident86.8Confident85 Ų8572.8 Ų72.845%0.44537%0.365SS..PPolyproline II helixtrans-65.1141.7171.1-75.4169000108.4M1 R7 L8M1-L3 PolarHBondContact O-N 3.2Å; L3-R7 HydrophobicContact CB-CB 4.46Å; L3-R7 HydrophobicContact CD2-CB 4.31Å; L3-L8 HydrophobicContact CB-CD2 3.85Å; L3-L8 HydrophobicContact CB-CG 4.08Å; L3-L8 HydrophobicContact CD1-CD2 3.94Å
4S90.4Very high87.3Confident38 Ų3879.1 Ų79.127%0.26639%0.389SS..PPolyproline II helixtrans-60.6148.8170.163.60000109.8Y6 R7 L8 E45S4-Y6 PolarHBondContact O-N 2.89Å; S4-R7 WeakPolarHBondContact O-CA 3.26Å; S4-R7 WeakPolarHBondContact O-CB 3.32Å; S4-R7 PolarHBondContact O-N 3.2Å; S4-R7 WeakPolarHBondContact OG-CD 3.29Å; S4-R7 VanDerWaalsContact OG-CG 3.29Å; S4-R7 WeakPolarHBondContact OG-CG 3.38Å; S4-R7 PolarHBondContact OG-N 3.45Å; S4-L8 PolarHBondContact O-N 3.48Å; S4-E45 WeakPolarHBondContact OG-CG 3.42Å
5R93.8Very high87.7Confident69 Ų6981.8 Ų81.826%0.2639%0.393SS..Hα-helixtrans-53.7-44179.2-71.5179.4175.7100.1-0.7111.7R7 L8 F9 F41 E52 D56R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 2.77Å; R5-L8 WeakPolarHBondContact O-CA 3.47Å; R5-L8 VanDerWaalsContact O-CB 3.32Å; R5-L8 WeakPolarHBondContact O-CB 3.5Å; R5-L8 PolarHBondContact O-N 2.95Å; R5-F9 VanDerWaalsContact O-CD2 3.31Å; R5-F9 WeakPolarHBondContact O-CD2 3.41Å; R5-F9 PolarHBondContact O-N 3.17Å; R5-F41 HydrophobicContact CB-CE1 4.25Å; R5-F41 HydrophobicContact CB-CZ 4.26Å; R5-E52 IonicContact CZ-OE2 2.76Å; R5-E52 IonicContact NH1-OE1 2.9Å; R5-E52 IonicContact NH1-OE2 3.31Å; R5-E52 PolarHBondContact NH1-OE2 2.96Å; R5-E52 IonicContact NH2-OE2 3.6Å; R5-E52 PolarHBondContact NH2-OE2 3.49Å; R5-D56 IonicContact CZ-OD1 2.76Å; R5-D56 IonicContact CZ-OD2 3.74Å; R5-D56 IonicContact NE-OD1 3.42Å; R5-D56 PolarHBondContact NE-OD1 3.34Å; R5-D56 IonicContact NE-OD2 3.46Å; R5-D56 IonicContact NH2-OD1 2.69Å; R5-D56 IonicContact NH2-OD2 3.42Å; R5-D56 PolarHBondContact NH2-OD2 3.02Å
6Y95.3Very high88Confident47 Ų4778.4 Ų78.418%0.18438%0.375CS..Hα-helixtrans-53.5-45.8174.5178.3-118.6000112.6S4 L8 F9 L10 V37 F41 A44 E45S4-Y6 PolarHBondContact O-N 2.89Å; Y6-L8 VanDerWaalsContact C-N 3.33Å; Y6-L8 PolarHBondContact O-N 3.39Å; Y6-F9 PolarHBondContact O-N 3.18Å; Y6-L10 HydrophobicContact CD1-CD1 3.99Å; Y6-L10 HydrophobicContact CD1-CG 4.4Å; Y6-L10 HydrophobicContact CD2-CG 4.38Å; Y6-L10 HydrophobicContact CE1-CD1 3.41Å; Y6-L10 VanDerWaalsContact CE1-CD1 3.41Å; Y6-L10 HydrophobicContact CE1-CG 4.01Å; Y6-L10 HydrophobicContact CE2-CD1 4.29Å; Y6-L10 HydrophobicContact CE2-CD2 4.01Å; Y6-L10 HydrophobicContact CE2-CG 3.99Å; Y6-L10 WeakPolarHBondContact O-CG 3.44Å; Y6-L10 PolarHBondContact O-N 3.26Å; Y6-V37 HydrophobicContact CE2-CG1 4.32Å; Y6-F41 HydrophobicContact CD2-CB 3.47Å; Y6-F41 VanDerWaalsContact CD2-CB 3.47Å; Y6-F41 AromaticContact CD2-CD1 3.9Å; Y6-F41 HydrophobicContact CD2-CD1 3.9Å; Y6-F41 HydrophobicContact CD2-CD2 4.06Å; Y6-F41 AromaticContact CD2-CG 3.56Å; Y6-F41 HydrophobicContact CD2-CG 3.56Å; Y6-F41 HydrophobicContact CE2-CB 3.85Å; Y6-F41 HydrophobicContact CE2-CG 4.36Å; Y6-F41 HydrophobicContact CG-CB 4.4Å; Y6-F41 HydrophobicContact CG-CD1 4.23Å; Y6-F41 HydrophobicContact CG-CG 4.35Å; Y6-A44 HydrophobicContact CD1-CB 3.99Å; Y6-A44 HydrophobicContact CE1-CB 3.65Å; Y6-E45 HydrophobicContact CD1-CG 3.97Å
7R95.5Very high88.1Confident126 Ų12679.3 Ų79.348%0.47539%0.389SS..Hα-helixtrans-66.5-33.1177.6-72.7177.7-177.7-175.4-0.8113L3 S4 R5 L10 N11 E45L3-R7 HydrophobicContact CB-CB 4.46Å; L3-R7 HydrophobicContact CD2-CB 4.31Å; S4-R7 WeakPolarHBondContact O-CA 3.26Å; S4-R7 WeakPolarHBondContact O-CB 3.32Å; S4-R7 PolarHBondContact O-N 3.2Å; S4-R7 WeakPolarHBondContact OG-CD 3.29Å; S4-R7 VanDerWaalsContact OG-CG 3.29Å; S4-R7 WeakPolarHBondContact OG-CG 3.38Å; S4-R7 PolarHBondContact OG-N 3.45Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 2.77Å; R7-L10 PolarHBondContact O-N 2.87Å; R7-N11 WeakPolarHBondContact O-CB 3.47Å; R7-N11 VanDerWaalsContact O-CG 3.31Å; R7-N11 PolarHBondContact O-N 3.03Å; R7-N11 PolarHBondContact O-ND2 3.38Å; R7-E45 IonicContact CZ-OE1 3.5Å; R7-E45 IonicContact NE-OE1 3.6Å; R7-E45 PolarHBondContact NE-OE1 3.5Å; R7-E45 IonicContact NH2-OE1 2.69Å; R7-E45 PolarHBondContact NH2-OE1 3.28Å
8L95.1Very high88Confident45 Ų4578.7 Ų78.724%0.23639%0.39CS..Hα-helixtrans-61.8-48.6172.6-66.5175.2000110.7L3 S4 R5 Y6 L10 N11 L12 Y59L3-L8 HydrophobicContact CB-CD2 3.85Å; L3-L8 HydrophobicContact CB-CG 4.08Å; L3-L8 HydrophobicContact CD1-CD2 3.94Å; S4-L8 PolarHBondContact O-N 3.48Å; R5-L8 WeakPolarHBondContact O-CA 3.47Å; R5-L8 VanDerWaalsContact O-CB 3.32Å; R5-L8 WeakPolarHBondContact O-CB 3.5Å; R5-L8 PolarHBondContact O-N 2.95Å; Y6-L8 VanDerWaalsContact C-N 3.33Å; Y6-L8 PolarHBondContact O-N 3.39Å; L8-L10 PolarHBondContact O-N 3.45Å; L8-N11 PolarHBondContact O-N 2.84Å; L8-L12 PolarHBondContact O-N 2.75Å; L8-Y59 HydrophobicContact CB-CD2 4.13Å; L8-Y59 HydrophobicContact CB-CE1 4.44Å; L8-Y59 HydrophobicContact CB-CE2 3.65Å; L8-Y59 HydrophobicContact CD1-CE1 4.37Å
9F96.5Very high88.2Confident12 Ų1276.4 Ų76.45%0.05338%0.379CS..Hα-helixtrans-62.8-41.5175.9-81.4-84.2000112.4R5 Y6 N11 L12 C13 V37 F41 I58 Y59 L62R5-F9 VanDerWaalsContact O-CD2 3.31Å; R5-F9 WeakPolarHBondContact O-CD2 3.41Å; R5-F9 PolarHBondContact O-N 3.17Å; Y6-F9 PolarHBondContact O-N 3.18Å; F9-N11 VanDerWaalsContact C-N 3.33Å; F9-N11 PolarHBondContact O-N 3.41Å; F9-L12 WeakPolarHBondContact O-CB 3.44Å; F9-L12 PolarHBondContact O-N 2.96Å; F9-L12 VanDerWaalsContact O-N 3.17Å; F9-C13 PolarHBondContact O-N 3.01Å; F9-C13 PolarHBondContact O-SG 3.28Å; F9-V37 HydrophobicContact CB-CG1 4.06Å; F9-V37 HydrophobicContact CB-CG2 3.98Å; F9-V37 HydrophobicContact CD1-CG2 3.78Å; F9-V37 HydrophobicContact CG-CG2 4.19Å; F9-F41 HydrophobicContact CB-CE2 4.34Å; F9-F41 AromaticContact CD2-CE2 3.61Å; F9-F41 HydrophobicContact CD2-CE2 3.61Å; F9-F41 AromaticContact CD2-CZ 3.64Å; F9-F41 HydrophobicContact CD2-CZ 3.64Å; F9-F41 HydrophobicContact CE2-CE2 4.07Å; F9-F41 AromaticContact CE2-CZ 3.97Å; F9-F41 HydrophobicContact CE2-CZ 3.97Å; F9-F41 AromaticContact CG-CE2 3.97Å; F9-F41 HydrophobicContact CG-CE2 3.97Å; F9-F41 HydrophobicContact CG-CZ 4.43Å; F9-I58 HydrophobicContact CE1-CG2 4.31Å; F9-I58 HydrophobicContact CZ-CG2 4.33Å; F9-Y59 HydrophobicContact CD1-CD2 4.49Å; F9-Y59 HydrophobicContact CD2-CD2 4.37Å; F9-Y59 HydrophobicContact CE1-CD2 4.42Å; F9-Y59 HydrophobicContact CE2-CD2 4.26Å; F9-Y59 HydrophobicContact CE2-CG 4.48Å; F9-Y59 HydrophobicContact CG-CD2 4.48Å; F9-Y59 HydrophobicContact CZ-CD2 4.3Å; F9-Y59 HydrophobicContact CZ-CG 4.47Å; F9-L62 HydrophobicContact CE1-CD1 3.97Å
10L95.6Very high88.3Confident60 Ų6079 Ų7931%0.31440%0.395SS..Hα-helixtrans-60-43174.5-73.2-174.4000112.3Y6 R7 L8 L12 C13 K14Y6-L10 HydrophobicContact CD1-CD1 3.99Å; Y6-L10 HydrophobicContact CD1-CG 4.4Å; Y6-L10 HydrophobicContact CD2-CG 4.38Å; Y6-L10 HydrophobicContact CE1-CD1 3.41Å; Y6-L10 VanDerWaalsContact CE1-CD1 3.41Å; Y6-L10 HydrophobicContact CE1-CG 4.01Å; Y6-L10 HydrophobicContact CE2-CD1 4.29Å; Y6-L10 HydrophobicContact CE2-CD2 4.01Å; Y6-L10 HydrophobicContact CE2-CG 3.99Å; Y6-L10 WeakPolarHBondContact O-CG 3.44Å; Y6-L10 PolarHBondContact O-N 3.26Å; R7-L10 PolarHBondContact O-N 2.87Å; L8-L10 PolarHBondContact O-N 3.45Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.02Å; L10-C13 PolarHBondContact O-N 3.46Å; L10-K14 WeakPolarHBondContact O-CG 3.45Å; L10-K14 PolarHBondContact O-N 3.01Å; L10-K14 VanDerWaalsContact O-N 3.11Å
11N95Very high88.5Confident67 Ų6779 Ų7936%0.35840%0.396SS..Hα-helixtrans-66-35176.8-74.7-23.5000112R7 L8 F9 K14 R15R7-N11 WeakPolarHBondContact O-CB 3.47Å; R7-N11 VanDerWaalsContact O-CG 3.31Å; R7-N11 PolarHBondContact O-N 3.03Å; R7-N11 PolarHBondContact O-ND2 3.38Å; L8-N11 PolarHBondContact O-N 2.84Å; F9-N11 VanDerWaalsContact C-N 3.33Å; F9-N11 PolarHBondContact O-N 3.41Å; N11-K14 PolarHBondContact O-N 3.48Å; N11-K14 PolarHBondContact OD1-NZ 3.2Å; N11-R15 PolarHBondContact O-N 2.92Å
12L95Very high91Very high1 Ų169.4 Ų69.41%0.00535%0.347CS..Hα-helixtrans-65.5-45.8173-173.7141.4000111.4L8 F9 L10 K14 R15 W16 I33 Y59 L62 Q63L8-L12 PolarHBondContact O-N 2.75Å; F9-L12 WeakPolarHBondContact O-CB 3.44Å; F9-L12 PolarHBondContact O-N 2.96Å; F9-L12 VanDerWaalsContact O-N 3.17Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.02Å; L12-K14 PolarHBondContact O-N 3.4Å; L12-R15 PolarHBondContact O-N 3.41Å; L12-W16 HydrophobicContact CD2-CE3 3.84Å; L12-W16 HydrophobicContact CD2-CZ3 4.22Å; L12-W16 PolarHBondContact O-N 3.29Å; L12-W16 VanDerWaalsContact O-N 3.16Å; L12-I33 HydrophobicContact CD2-CG2 4.43Å; L12-Y59 HydrophobicContact CB-CE2 4.17Å; L12-Y59 HydrophobicContact CD1-CD2 4.08Å; L12-Y59 HydrophobicContact CD1-CE2 3.83Å; L12-L62 HydrophobicContact CD1-CB 3.73Å; L12-L62 HydrophobicContact CD2-CB 4.04Å; L12-L62 HydrophobicContact CD2-CD1 4.38Å; L12-Q63 HydrophobicContact CD1-CB 4.14Å
13C95.2Very high92Very high12 Ų1265.9 Ų65.98%0.08133%0.328CS..Hα-helixtrans-60.5-29.7176.8-710000113.8F9 L10 R15 R34F9-C13 PolarHBondContact O-N 3.01Å; F9-C13 PolarHBondContact O-SG 3.28Å; L10-C13 PolarHBondContact O-N 3.46Å; C13-R15 VanDerWaalsContact C-N 3.32Å; C13-R34 HydrophobicContact CB-CG 4.06Å; C13-R34 PolarHBondContact O-NH2 3.43Å
14K93.8Very high92.3Very high161 Ų16170.9 Ų70.970%0.735%0.347SS*.Hα-helixtrans-68.7-31174.4-72.6172.5-172.4170.60112.9L10 N11 L12L10-K14 WeakPolarHBondContact O-CG 3.45Å; L10-K14 PolarHBondContact O-N 3.01Å; L10-K14 VanDerWaalsContact O-N 3.11Å; N11-K14 PolarHBondContact O-N 3.48Å; N11-K14 PolarHBondContact OD1-NZ 3.2Å; L12-K14 PolarHBondContact O-N 3.4Å
15R93.7Very high92.1Very high120 Ų12071.6 Ų71.645%0.45335%0.352SS..Hα-helixtrans-85.1-21.8-179.4-65.1172.962.5-144.5-2.3112.4N11 L12 C13 V66 N67N11-R15 PolarHBondContact O-N 2.92Å; L12-R15 PolarHBondContact O-N 3.41Å; C13-R15 VanDerWaalsContact C-N 3.32Å; R15-V66 HydrophobicContact CB-CG2 4.12Å; R15-N67 PolarHBondContact NH1-OD1 3.04Å; R15-N67 PolarHBondContact NH2-OD1 3.35Å
16W91.5Very high91.8Very high28 Ų2870.2 Ų70.211%0.10636%0.359CS..SBendtrans-75.3123-176.1-153.2-71.3000111.7L12 L29 I33 R34 L62 L65 V66L12-W16 HydrophobicContact CD2-CE3 3.84Å; L12-W16 HydrophobicContact CD2-CZ3 4.22Å; L12-W16 PolarHBondContact O-N 3.29Å; L12-W16 VanDerWaalsContact O-N 3.16Å; W16-L29 HydrophobicContact CH2-CD2 4.48Å; W16-L29 HydrophobicContact CZ2-CD2 3.68Å; W16-L29 HydrophobicContact CZ2-CG 3.98Å; W16-I33 HydrophobicContact CD2-CD1 3.68Å; W16-I33 VanDerWaalsContact CE2-CD1 3.49Å; W16-I33 HydrophobicContact CE3-CD1 3.76Å; W16-I33 HydrophobicContact CG-CD1 4.48Å; W16-I33 HydrophobicContact CH2-CD1 3.5Å; W16-I33 VanDerWaalsContact CH2-CD1 3.5Å; W16-I33 HydrophobicContact CZ2-CD1 3.43Å; W16-I33 VanDerWaalsContact CZ2-CD1 3.43Å; W16-I33 HydrophobicContact CZ3-CD1 3.66Å; W16-R34 PolarHBondContact O-NH2 2.68Å; W16-L62 HydrophobicContact CH2-CD2 4.07Å; W16-L62 HydrophobicContact CZ3-CB 4.27Å; W16-L62 HydrophobicContact CZ3-CD2 4.03Å; W16-L62 WeakPolarHBondContact CZ3-O 3.42Å; W16-L65 HydrophobicContact CH2-CB 3.83Å; W16-L65 HydrophobicContact CH2-CD1 4.3Å; W16-L65 HydrophobicContact CZ3-CB 4.32Å; W16-V66 HydrophobicContact CD2-CG2 4.42Å; W16-V66 HydrophobicContact CE3-CB 3.86Å; W16-V66 HydrophobicContact CE3-CG2 3.97Å; W16-V66 HydrophobicContact CZ3-CB 3.97Å
17P89.6Confident91.6Very high93 Ų9371.9 Ų71.960%0.60437%0.365SS*.PPolyproline II helixtrans-70.8154.5179.329.8-35.1000112
18V86.5Confident91.5Very high68 Ų6866.1 Ų66.141%0.41234%0.344SS..PPolyproline II helixtrans-93.4129167.3175.60000107.9D20V18-D20 PolarHBondContact O-N 2.9Å
19D91.8Very high91.3Very high35 Ų3568.8 Ų68.819%0.18736%0.358CS..  trans-81.597.9172.8-171.9-10.8000109.6L21 K22 S23 D28D19-L21 PolarHBondContact O-N 2.84Å; D19-L21 VanDerWaalsContact O-N 3.1Å; D19-L21 WeakPolarHBondContact OD1-CB 3.37Å; D19-L21 PolarHBondContact OD1-N 3.42Å; D19-L21 VanDerWaalsContact OD1-N 3.14Å; D19-K22 HydrophobicContact CB-CB 4.35Å; D19-K22 CarbonylContact O-C 3.54Å; D19-K22 PolarHBondContact O-N 3.22Å; D19-K22 WeakPolarHBondContact OD2-CD 3.5Å; D19-K22 VanDerWaalsContact OD2-CE 3.32Å; D19-K22 WeakPolarHBondContact OD2-CE 3.29Å; D19-K22 IonicContact OD2-NZ 3.37Å; D19-K22 PolarHBondContact OD2-NZ 2.99Å; D19-S23 PolarHBondContact O-N 3.33Å; D19-D28 WeakPolarHBondContact CB-OD1 3.36Å; D19-D28 PolarHBondContact N-OD1 3.3Å
20D90.8Very high91.2Very high129 Ų12968.3 Ų68.369%0.6936%0.356SS*.G310 helixtrans-57.7-26.9-179.1-67.5-31.5000112.8V18 K22 S23V18-D20 PolarHBondContact O-N 2.9Å; D20-K22 PolarHBondContact O-N 3Å; D20-S23 PolarHBondContact O-N 3.46Å; D20-S23 PolarHBondContact O-OG 3.09Å
21L93.1Very high91.1Very high80 Ų8067.1 Ų67.142%0.41935%0.353SS..G310 helixtrans-72.9-11.3177.1-59.5178.7000113D19 R91 S95 D96D19-L21 PolarHBondContact O-N 2.84Å; D19-L21 VanDerWaalsContact O-N 3.1Å; D19-L21 WeakPolarHBondContact OD1-CB 3.37Å; D19-L21 PolarHBondContact OD1-N 3.42Å; D19-L21 VanDerWaalsContact OD1-N 3.14Å; L21-R91 HydrophobicContact CD1-CB 4.25Å; L21-S95 CarbonylContact O-C 3.59Å; L21-S95 WeakPolarHBondContact O-CA 3.42Å; L21-D96 WeakPolarHBondContact O-CB 3.32Å; L21-D96 PolarHBondContact O-N 3.22Å
22K93.1Very high91Very high38 Ų3869.1 Ų69.117%0.16536%0.355CS..G310 helixtrans-122.211.5179.8-62.1179.6-172.3129.50113.5D19 D20 K24 S25 D28 T94 D96D19-K22 HydrophobicContact CB-CB 4.35Å; D19-K22 CarbonylContact O-C 3.54Å; D19-K22 PolarHBondContact O-N 3.22Å; D19-K22 WeakPolarHBondContact OD2-CD 3.5Å; D19-K22 VanDerWaalsContact OD2-CE 3.32Å; D19-K22 WeakPolarHBondContact OD2-CE 3.29Å; D19-K22 IonicContact OD2-NZ 3.37Å; D19-K22 PolarHBondContact OD2-NZ 2.99Å; D20-K22 PolarHBondContact O-N 3Å; K22-K24 VanDerWaalsContact C-N 3.25Å; K22-K24 PolarHBondContact O-N 2.96Å; K22-S25 PolarHBondContact O-OG 3.23Å; K22-D28 HydrophobicContact CB-CB 4.24Å; K22-T94 WeakPolarHBondContact CE-OG1 3.31Å; K22-D96 WeakPolarHBondContact CA-OD2 3.31Å
23S83.2Confident91Very high69 Ų6969.8 Ų69.848%0.48336%0.359SS..THydrogen-bonded Turntrans-62.9-22.5-17353.90000114.9D19 D20 D96D19-S23 PolarHBondContact O-N 3.33Å; D20-S23 PolarHBondContact O-N 3.46Å; D20-S23 PolarHBondContact O-OG 3.09Å; S23-D96 PolarHBondContact N-OD2 2.9Å
24K85Confident90.9Very high190 Ų19072.8 Ų72.883%0.82637%0.368SS*.THydrogen-bonded Turntrans-97.5-23.3-173.5-60.7-178.5179.1-178.70113.8K22 D96K22-K24 VanDerWaalsContact C-N 3.25Å; K22-K24 PolarHBondContact O-N 2.96Å; K24-D96 WeakPolarHBondContact CA-OD2 3.43Å; K24-D96 WeakPolarHBondContact CB-OD2 3.17Å; K24-D96 PolarHBondContact N-OD2 2.76Å
25S85.9Confident91Very high54 Ų5469.6 Ų69.638%0.37836%0.356SS..THydrogen-bonded Turntrans-92.6-5.5-172.760.10000114.6K22 R27 D96K22-S25 PolarHBondContact O-OG 3.23Å; S25-R27 PolarHBondContact O-N 3.49Å; S25-R27 VanDerWaalsContact OG-CB 3.31Å; S25-R27 WeakPolarHBondContact OG-CB 3.43Å; S25-R27 VanDerWaalsContact OG-CG 3.27Å; S25-R27 WeakPolarHBondContact OG-CG 3.36Å; S25-R27 PolarHBondContact OG-N 3.44Å; S25-R27 PolarHBondContact OG-NE 2.87Å; S25-D96 WeakPolarHBondContact CB-OD1 3.33Å; S25-D96 PolarHBondContact N-OD2 3.31Å; S25-D96 PolarHBondContact OG-OD1 3.35Å
26G87.5Confident91.1Very high40 Ų4067 Ų6741%0.41235%0.349SS..THydrogen-bonded Turntrans67.410.4-169.700000113.3D28 R32G26-D28 VanDerWaalsContact C-N 3.34Å; G26-R32 VanDerWaalsContact O-CD 3.29Å; G26-R32 WeakPolarHBondContact O-CD 3.38Å; G26-R32 WeakPolarHBondContact O-CG 3.48Å
27R90.7Very high91.3Very high81 Ų8166.1 Ų66.131%0.30635%0.347SS..  trans-87.4-5.4178.7-60.9-179.6-59.1123.42.7113.2S25 L29 T94 D96S25-R27 PolarHBondContact O-N 3.49Å; S25-R27 VanDerWaalsContact OG-CB 3.31Å; S25-R27 WeakPolarHBondContact OG-CB 3.43Å; S25-R27 VanDerWaalsContact OG-CG 3.27Å; S25-R27 WeakPolarHBondContact OG-CG 3.36Å; S25-R27 PolarHBondContact OG-N 3.44Å; S25-R27 PolarHBondContact OG-NE 2.87Å; R27-L29 PolarHBondContact O-N 3.1Å; R27-T94 PolarHBondContact NH1-O 3.32Å; R27-T94 PolarHBondContact NH2-O 3.37Å; R27-D96 IonicContact CZ-OD1 3.25Å; R27-D96 IonicContact NE-OD1 2.86Å; R27-D96 IonicContact NH2-OD1 3.94Å; R27-D96 PolarHBondContact NH2-OD1 3.04Å
28D93Very high91.5Very high5 Ų566.6 Ų66.63%0.02735%0.348CS..  trans-62.6118172.9173.252.8000110.1D19 K22 G26 G30 S31 R32D19-D28 WeakPolarHBondContact CB-OD1 3.36Å; D19-D28 PolarHBondContact N-OD1 3.3Å; K22-D28 HydrophobicContact CB-CB 4.24Å; G26-D28 VanDerWaalsContact C-N 3.34Å; D28-G30 VanDerWaalsContact C-N 3.28Å; D28-G30 PolarHBondContact O-N 3.33Å; D28-G30 PolarHBondContact OD2-N 2.95Å; D28-S31 PolarHBondContact O-N 3.5Å; D28-S31 VanDerWaalsContact OD2-CB 3.27Å; D28-S31 WeakPolarHBondContact OD2-CB 3.4Å; D28-S31 PolarHBondContact OD2-N 3.05Å; D28-S31 PolarHBondContact OD2-OG 3.42Å; D28-R32 WeakPolarHBondContact O-CG 3.5Å; D28-R32 PolarHBondContact O-N 3.45Å
29L91.8Very high92Very high102 Ų10267.6 Ų67.653%0.53436%0.358SS..Hα-helixtrans-64-35.9-176.8-179.558.8000111.5W16 R27 S31 R32 I33W16-L29 HydrophobicContact CH2-CD2 4.48Å; W16-L29 HydrophobicContact CZ2-CD2 3.68Å; W16-L29 HydrophobicContact CZ2-CG 3.98Å; R27-L29 PolarHBondContact O-N 3.1Å; L29-S31 PolarHBondContact O-N 3.45Å; L29-R32 PolarHBondContact O-N 3.19Å; L29-I33 HydrophobicContact CD1-CD1 4.15Å; L29-I33 HydrophobicContact CD1-CG1 4.2Å; L29-I33 HydrophobicContact CG-CD1 3.88Å; L29-I33 HydrophobicContact CG-CG1 4.4Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 PolarHBondContact O-N 2.84Å
30G93.1Very high92.1Very high1 Ų172.8 Ų72.81%0.0137%0.374CS..Hα-helixtrans-62.5-44.6177.800000112.1D28 I33 R34D28-G30 VanDerWaalsContact C-N 3.28Å; D28-G30 PolarHBondContact O-N 3.33Å; D28-G30 PolarHBondContact OD2-N 2.95Å; G30-I33 PolarHBondContact O-N 2.96Å; G30-R34 WeakPolarHBondContact O-CG 3.46Å; G30-R34 PolarHBondContact O-N 2.9Å; G30-R34 VanDerWaalsContact O-N 3.11Å; G30-R34 PolarHBondContact O-NH1 3.26Å
31S93.1Very high92.4Very high36 Ų3667.3 Ų67.325%0.25234%0.344SS..Hα-helixtrans-61.9-46.7174.9-59.50000111.1D28 L29 I33 R34 E35D28-S31 PolarHBondContact O-N 3.5Å; D28-S31 VanDerWaalsContact OD2-CB 3.27Å; D28-S31 WeakPolarHBondContact OD2-CB 3.4Å; D28-S31 PolarHBondContact OD2-N 3.05Å; D28-S31 PolarHBondContact OD2-OG 3.42Å; L29-S31 PolarHBondContact O-N 3.45Å; S31-I33 PolarHBondContact O-N 3.47Å; S31-R34 WeakPolarHBondContact O-CB 3.25Å; S31-R34 PolarHBondContact O-N 3.25Å; S31-R34 VanDerWaalsContact O-N 3.13Å; S31-E35 WeakPolarHBondContact O-CG 3.49Å; S31-E35 PolarHBondContact O-N 2.88Å
32R93.5Very high92.4Very high108 Ų10869.2 Ų69.241%0.40836%0.355SS..Hα-helixtrans-59.5-42.9175.7-68.8-60-59.2170.2-2.2112.7G26 D28 L29 R34 E35 E36G26-R32 VanDerWaalsContact O-CD 3.29Å; G26-R32 WeakPolarHBondContact O-CD 3.38Å; G26-R32 WeakPolarHBondContact O-CG 3.48Å; D28-R32 WeakPolarHBondContact O-CG 3.5Å; D28-R32 PolarHBondContact O-N 3.45Å; L29-R32 PolarHBondContact O-N 3.19Å; R32-R34 VanDerWaalsContact C-N 3.31Å; R32-R34 PolarHBondContact O-N 3.01Å; R32-E35 WeakPolarHBondContact CD-OE2 3.2Å; R32-E35 IonicContact CZ-OE2 3.61Å; R32-E35 IonicContact NE-OE2 2.75Å; R32-E35 IonicContact NH1-OE2 3.61Å; R32-E35 PolarHBondContact NH1-OE2 3.35Å; R32-E35 PolarHBondContact O-N 3.03Å; R32-E36 IonicContact NH2-OE1 3.54Å; R32-E36 PolarHBondContact NH2-OE1 3.44Å; R32-E36 WeakPolarHBondContact O-CB 3.43Å; R32-E36 WeakPolarHBondContact O-CG 3.49Å; R32-E36 PolarHBondContact O-N 3.29Å
33I94.5Very high92.5Very high15 Ų1573.2 Ų73.28%0.07737%0.374CS..Hα-helixtrans-60.9-42.2176.4-70.3163.3000110.7L12 W16 L29 G30 S31 E36 V37 L62L12-I33 HydrophobicContact CD2-CG2 4.43Å; W16-I33 HydrophobicContact CD2-CD1 3.68Å; W16-I33 VanDerWaalsContact CE2-CD1 3.49Å; W16-I33 HydrophobicContact CE3-CD1 3.76Å; W16-I33 HydrophobicContact CG-CD1 4.48Å; W16-I33 HydrophobicContact CH2-CD1 3.5Å; W16-I33 VanDerWaalsContact CH2-CD1 3.5Å; W16-I33 HydrophobicContact CZ2-CD1 3.43Å; W16-I33 VanDerWaalsContact CZ2-CD1 3.43Å; W16-I33 HydrophobicContact CZ3-CD1 3.66Å; L29-I33 HydrophobicContact CD1-CD1 4.15Å; L29-I33 HydrophobicContact CD1-CG1 4.2Å; L29-I33 HydrophobicContact CG-CD1 3.88Å; L29-I33 HydrophobicContact CG-CG1 4.4Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.45Å; L29-I33 PolarHBondContact O-N 2.84Å; G30-I33 PolarHBondContact O-N 2.96Å; S31-I33 PolarHBondContact O-N 3.47Å; I33-E36 PolarHBondContact O-N 2.95Å; I33-V37 HydrophobicContact CG2-CG2 4.38Å; I33-V37 VanDerWaalsContact O-CG2 3.29Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.26Å; I33-L62 HydrophobicContact CD1-CD2 3.87Å; I33-L62 HydrophobicContact CG1-CD2 4.33Å; I33-L62 HydrophobicContact CG2-CD1 4.44Å
34R94.9Very high93Very high76 Ų7671.3 Ų71.329%0.28736%0.363SS..Hα-helixtrans-63.5-45.3177.7-69.6174.1-170.7100.55.2112C13 W16 G30 S31 R32 E36 V37 V38C13-R34 HydrophobicContact CB-CG 4.06Å; C13-R34 PolarHBondContact O-NH2 3.43Å; W16-R34 PolarHBondContact O-NH2 2.68Å; G30-R34 WeakPolarHBondContact O-CG 3.46Å; G30-R34 PolarHBondContact O-N 2.9Å; G30-R34 VanDerWaalsContact O-N 3.11Å; G30-R34 PolarHBondContact O-NH1 3.26Å; S31-R34 WeakPolarHBondContact O-CB 3.25Å; S31-R34 PolarHBondContact O-N 3.25Å; S31-R34 VanDerWaalsContact O-N 3.13Å; R32-R34 VanDerWaalsContact C-N 3.31Å; R32-R34 PolarHBondContact O-N 3.01Å; R34-E36 VanDerWaalsContact C-N 3.31Å; R34-E36 PolarHBondContact O-N 3.42Å; R34-V37 PolarHBondContact O-N 3.48Å; R34-V38 WeakPolarHBondContact O-CG2 3.32Å; R34-V38 PolarHBondContact O-N 3.46Å
35E94.6Very high93.4Very high93 Ų9366.2 Ų66.244%0.43534%0.342SS..Hα-helixtrans-58.3-45.3175.4-70.6168.6-169.300111.2S31 R32 V37 V38 S39S31-E35 WeakPolarHBondContact O-CG 3.49Å; S31-E35 PolarHBondContact O-N 2.88Å; R32-E35 WeakPolarHBondContact CD-OE2 3.2Å; R32-E35 IonicContact CZ-OE2 3.61Å; R32-E35 IonicContact NE-OE2 2.75Å; R32-E35 IonicContact NH1-OE2 3.61Å; R32-E35 PolarHBondContact NH1-OE2 3.35Å; R32-E35 PolarHBondContact O-N 3.03Å; E35-V37 PolarHBondContact O-N 3.49Å; E35-V38 PolarHBondContact O-N 3.34Å; E35-S39 WeakPolarHBondContact O-CB 3.45Å; E35-S39 PolarHBondContact O-N 3.3Å
36E95.5Very high93.7Very high66 Ų6669.8 Ų69.831%0.30836%0.357SS..Hα-helixtrans-66.2-36.5178.4-71.6-68.2147.400112.6R32 I33 R34 S39 R40R32-E36 IonicContact NH2-OE1 3.54Å; R32-E36 PolarHBondContact NH2-OE1 3.44Å; R32-E36 WeakPolarHBondContact O-CB 3.43Å; R32-E36 WeakPolarHBondContact O-CG 3.49Å; R32-E36 PolarHBondContact O-N 3.29Å; I33-E36 PolarHBondContact O-N 2.95Å; R34-E36 VanDerWaalsContact C-N 3.31Å; R34-E36 PolarHBondContact O-N 3.42Å; E36-S39 PolarHBondContact O-N 3.35Å; E36-R40 WeakPolarHBondContact O-CB 3.44Å; E36-R40 WeakPolarHBondContact O-CG 3.38Å; E36-R40 PolarHBondContact O-N 2.88Å; E36-R40 IonicContact OE2-CZ 3.19Å; E36-R40 IonicContact OE2-NH1 2.87Å; E36-R40 PolarHBondContact OE2-NH1 2.99Å; E36-R40 IonicContact OE2-NH2 2.77Å; E36-R40 PolarHBondContact OE2-NH2 2.98Å
37V95.6Very high94Very high10 Ų1068.9 Ų68.96%0.06134%0.344CS..Hα-helixtrans-65.4-43.8174.1168.20000110.5Y6 F9 I33 R34 E35 S39 R40 F41Y6-V37 HydrophobicContact CE2-CG1 4.32Å; F9-V37 HydrophobicContact CB-CG1 4.06Å; F9-V37 HydrophobicContact CB-CG2 3.98Å; F9-V37 HydrophobicContact CD1-CG2 3.78Å; F9-V37 HydrophobicContact CG-CG2 4.19Å; I33-V37 HydrophobicContact CG2-CG2 4.38Å; I33-V37 VanDerWaalsContact O-CG2 3.29Å; I33-V37 WeakPolarHBondContact O-CG2 3.38Å; I33-V37 PolarHBondContact O-N 3.26Å; R34-V37 PolarHBondContact O-N 3.48Å; E35-V37 PolarHBondContact O-N 3.49Å; V37-S39 VanDerWaalsContact C-N 3.32Å; V37-S39 PolarHBondContact O-N 3.28Å; V37-R40 PolarHBondContact O-N 2.92Å; V37-F41 HydrophobicContact CG1-CD2 4.08Å; V37-F41 WeakPolarHBondContact O-CB 3.26Å; V37-F41 WeakPolarHBondContact O-CD2 3.29Å; V37-F41 PolarHBondContact O-N 2.69Å
38V95.3Very high94.1Very high103 Ų10372.2 Ų72.262%0.62437%0.366SS*.Hα-helixtrans-62.3-42.2175.6172.10000111R34 E35 F41R34-V38 WeakPolarHBondContact O-CG2 3.32Å; R34-V38 PolarHBondContact O-N 3.46Å; E35-V38 PolarHBondContact O-N 3.34Å; V38-F41 CarbonylContact O-C 3.59Å
39S95.5Very high94.1Very high89 Ų8973.9 Ų73.962%0.62237%0.374SS*.Hα-helixtrans-68.8-37.7179.9-178.30000113.2E35 E36 V37E35-S39 WeakPolarHBondContact O-CB 3.45Å; E35-S39 PolarHBondContact O-N 3.3Å; E36-S39 PolarHBondContact O-N 3.35Å; V37-S39 VanDerWaalsContact C-N 3.32Å; V37-S39 PolarHBondContact O-N 3.28Å
40R94.8Very high94.2Very high143 Ų14376 Ų7654%0.5439%0.392SS..Hα-helixtrans-82.9-23.6-179-74.6-166.5176.378.69114.1E36 V37 T47E36-R40 WeakPolarHBondContact O-CB 3.44Å; E36-R40 WeakPolarHBondContact O-CG 3.38Å; E36-R40 PolarHBondContact O-N 2.88Å; E36-R40 IonicContact OE2-CZ 3.19Å; E36-R40 IonicContact OE2-NH1 2.87Å; E36-R40 PolarHBondContact OE2-NH1 2.99Å; E36-R40 IonicContact OE2-NH2 2.77Å; E36-R40 PolarHBondContact OE2-NH2 2.98Å; V37-R40 PolarHBondContact O-N 2.92Å; R40-T47 WeakPolarHBondContact O-CG2 3.5Å
41F96Very high94.3Very high14 Ų1480.1 Ų80.16%0.06141%0.413CS..  trans-113.558.5177-66.6-87.8000110.3R5 Y6 F9 V37 V38 Q43 A44 T47 I49R5-F41 HydrophobicContact CB-CE1 4.25Å; R5-F41 HydrophobicContact CB-CZ 4.26Å; Y6-F41 HydrophobicContact CD2-CB 3.47Å; Y6-F41 VanDerWaalsContact CD2-CB 3.47Å; Y6-F41 AromaticContact CD2-CD1 3.9Å; Y6-F41 HydrophobicContact CD2-CD1 3.9Å; Y6-F41 HydrophobicContact CD2-CD2 4.06Å; Y6-F41 AromaticContact CD2-CG 3.56Å; Y6-F41 HydrophobicContact CD2-CG 3.56Å; Y6-F41 HydrophobicContact CE2-CB 3.85Å; Y6-F41 HydrophobicContact CE2-CG 4.36Å; Y6-F41 HydrophobicContact CG-CB 4.4Å; Y6-F41 HydrophobicContact CG-CD1 4.23Å; Y6-F41 HydrophobicContact CG-CG 4.35Å; F9-F41 HydrophobicContact CB-CE2 4.34Å; F9-F41 AromaticContact CD2-CE2 3.61Å; F9-F41 HydrophobicContact CD2-CE2 3.61Å; F9-F41 AromaticContact CD2-CZ 3.64Å; F9-F41 HydrophobicContact CD2-CZ 3.64Å; F9-F41 HydrophobicContact CE2-CE2 4.07Å; F9-F41 AromaticContact CE2-CZ 3.97Å; F9-F41 HydrophobicContact CE2-CZ 3.97Å; F9-F41 AromaticContact CG-CE2 3.97Å; F9-F41 HydrophobicContact CG-CE2 3.97Å; F9-F41 HydrophobicContact CG-CZ 4.43Å; V37-F41 HydrophobicContact CG1-CD2 4.08Å; V37-F41 WeakPolarHBondContact O-CB 3.26Å; V37-F41 WeakPolarHBondContact O-CD2 3.29Å; V37-F41 PolarHBondContact O-N 2.69Å; V38-F41 CarbonylContact O-C 3.59Å; F41-Q43 PolarHBondContact O-N 2.97Å; F41-A44 PolarHBondContact O-N 3.45Å; F41-T47 WeakPolarHBondContact CA-OG1 3.26Å; F41-I49 HydrophobicContact CD1-CD1 4.42Å; F41-I49 HydrophobicContact CE1-CD1 3.8Å; F41-I49 HydrophobicContact CE1-CG1 4.37Å; F41-I49 HydrophobicContact CZ-CD1 4.06Å
42D94Very high94.4Very high121 Ų12183.2 Ų83.265%0.64742%0.424SS*.THydrogen-bonded Turntrans-59.3-28.7-177.366.7-22.5000113.4T47D42-T47 WeakPolarHBondContact OD1-CG2 3.42Å
43Q95.1Very high94.5Very high121 Ų12180.5 Ų80.557%0.56543%0.425SS*.THydrogen-bonded Turntrans-109.322.9175.2-59.7-170.1-17.900113.1F41 E45 N46 T47F41-Q43 PolarHBondContact O-N 2.97Å; Q43-E45 PolarHBondContact O-N 2.85Å; Q43-N46 HydrophobicContact CB-CB 4.26Å; Q43-N46 WeakPolarHBondContact O-CB 3.19Å; Q43-N46 PolarHBondContact O-N 3.06Å; Q43-T47 VanDerWaalsContact C-OG1 3.27Å; Q43-T47 WeakPolarHBondContact CA-OG1 3.43Å; Q43-T47 PolarHBondContact N-OG1 3.15Å; Q43-T47 VanDerWaalsContact N-OG1 3.09Å
44A93Very high94.6Very high29 Ų2980.9 Ų80.924%0.2443%0.43CS..G310 helixtrans52.2-126.5-179.400000111.9Y6 F41 N46 T47Y6-A44 HydrophobicContact CD1-CB 3.99Å; Y6-A44 HydrophobicContact CE1-CB 3.65Å; F41-A44 PolarHBondContact O-N 3.45Å; A44-N46 PolarHBondContact O-N 3.27Å; A44-T47 PolarHBondContact N-OG1 3.09Å; A44-T47 WeakPolarHBondContact O-CB 3.41Å; A44-T47 PolarHBondContact O-N 3.06Å; A44-T47 PolarHBondContact O-OG1 2.68Å
45E93.2Very high94.6Very high83 Ų8377.9 Ų77.939%0.38842%0.421SS..G310 helixtrans-62.8-19.9177.6-70.695.8159.800115.1S4 Y6 R7 Q43 T47S4-E45 WeakPolarHBondContact OG-CG 3.42Å; Y6-E45 HydrophobicContact CD1-CG 3.97Å; R7-E45 IonicContact CZ-OE1 3.5Å; R7-E45 IonicContact NE-OE1 3.6Å; R7-E45 PolarHBondContact NE-OE1 3.5Å; R7-E45 IonicContact NH2-OE1 2.69Å; R7-E45 PolarHBondContact NH2-OE1 3.28Å; Q43-E45 PolarHBondContact O-N 2.85Å; E45-T47 VanDerWaalsContact C-N 3.35Å
46N93Very high94.7Very high129 Ų12975.9 Ų75.969%0.6941%0.413SS*.G310 helixtrans-89.1-4.4-178.9-60.1-44.5000113.1Q43 A44 I48Q43-N46 HydrophobicContact CB-CB 4.26Å; Q43-N46 WeakPolarHBondContact O-CB 3.19Å; Q43-N46 PolarHBondContact O-N 3.06Å; A44-N46 PolarHBondContact O-N 3.27Å; N46-I48 PolarHBondContact O-N 3.46Å
47T94.5Very high94.8Very high22 Ų2279.6 Ų79.614%0.13542%0.424CS..  trans-61.6125.4-179.9-47.40000110.5R40 F41 D42 Q43 A44 E45 I49R40-T47 WeakPolarHBondContact O-CG2 3.5Å; F41-T47 WeakPolarHBondContact CA-OG1 3.26Å; D42-T47 WeakPolarHBondContact OD1-CG2 3.42Å; Q43-T47 VanDerWaalsContact C-OG1 3.27Å; Q43-T47 WeakPolarHBondContact CA-OG1 3.43Å; Q43-T47 PolarHBondContact N-OG1 3.15Å; Q43-T47 VanDerWaalsContact N-OG1 3.09Å; A44-T47 PolarHBondContact N-OG1 3.09Å; A44-T47 WeakPolarHBondContact O-CB 3.41Å; A44-T47 PolarHBondContact O-N 3.06Å; A44-T47 PolarHBondContact O-OG1 2.68Å; E45-T47 VanDerWaalsContact C-N 3.35Å; T47-I49 PolarHBondContact O-N 3.03Å
48I93Very high94.9Very high150 Ų15083 Ų8377%0.76944%0.441SS*.  trans-81.6114175.8-59.5175.9000108.6N46N46-I48 PolarHBondContact O-N 3.46Å
49I93.2Very high94.9Very high40 Ų4080.2 Ų80.221%0.20542%0.42CS..  trans-88.2113.6175.3-58.5-77.7000108.3F41 T47 D51 E52 C55F41-I49 HydrophobicContact CD1-CD1 4.42Å; F41-I49 HydrophobicContact CE1-CD1 3.8Å; F41-I49 HydrophobicContact CE1-CG1 4.37Å; F41-I49 HydrophobicContact CZ-CD1 4.06Å; T47-I49 PolarHBondContact O-N 3.03Å; I49-D51 WeakPolarHBondContact CG2-O 3.32Å; I49-E52 HydrophobicContact CB-CG 4.42Å; I49-E52 HydrophobicContact CG2-CG 4.33Å; I49-C55 HydrophobicContact CG2-CB 3.79Å
50T92.9Very high95Very high147 Ų14781.7 Ų81.790%0.90242%0.417SS*.SBendtrans-66-42.6-179.7-44.90000112.9
51D95.2Very high95.1Very high87 Ų8777.5 Ų77.547%0.46541%0.412SS..  trans-115.588.7176.4-174.8-10.5000109.7I49 A53 A54 C55I49-D51 WeakPolarHBondContact CG2-O 3.32Å; D51-A53 VanDerWaalsContact C-N 3.3Å; D51-A53 PolarHBondContact O-N 3.36Å; D51-A53 PolarHBondContact OD1-N 3.33Å; D51-A54 HydrophobicContact CB-CB 3.99Å; D51-A54 PolarHBondContact O-N 3.17Å; D51-A54 PolarHBondContact OD1-N 3.48Å; D51-A54 VanDerWaalsContact OD2-CB 3.26Å; D51-A54 WeakPolarHBondContact OD2-CB 3.48Å; D51-C55 PolarHBondContact O-N 3.49Å
52E94.6Very high95.1Very high102 Ų10278.2 Ų78.248%0.47742%0.417SS..Hα-helixtrans-60.8-40179.5-68.9-166.3-168.100112.3R5 I49 A54 C55 D56R5-E52 IonicContact CZ-OE2 2.76Å; R5-E52 IonicContact NH1-OE1 2.9Å; R5-E52 IonicContact NH1-OE2 3.31Å; R5-E52 PolarHBondContact NH1-OE2 2.96Å; R5-E52 IonicContact NH2-OE2 3.6Å; R5-E52 PolarHBondContact NH2-OE2 3.49Å; I49-E52 HydrophobicContact CB-CG 4.42Å; I49-E52 HydrophobicContact CG2-CG 4.33Å; E52-A54 VanDerWaalsContact C-N 3.34Å; E52-A54 PolarHBondContact O-N 3.48Å; E52-C55 WeakPolarHBondContact O-CB 3.39Å; E52-C55 PolarHBondContact O-N 3.1Å; E52-C55 VanDerWaalsContact O-N 3.17Å; E52-D56 VanDerWaalsContact O-CG 3.3Å; E52-D56 PolarHBondContact O-N 3.45Å
53A95.8Very high95.2Very high51 Ų5174.6 Ų74.642%0.42140%0.396SS..Hα-helixtrans-67.1-37.3-178.200000111.4D51 D56 R57D51-A53 VanDerWaalsContact C-N 3.3Å; D51-A53 PolarHBondContact O-N 3.36Å; D51-A53 PolarHBondContact OD1-N 3.33Å; A53-D56 PolarHBondContact O-N 3.46Å; A53-R57 VanDerWaalsContact C-NH1 3.26Å; A53-R57 WeakPolarHBondContact O-CG 3.39Å; A53-R57 PolarHBondContact O-N 3.24Å; A53-R57 PolarHBondContact O-NH1 3.11Å
54A96.4Very high95.2Very high23 Ų2371 Ų7119%0.1938%0.38CS..Hα-helixtrans-64.5-41.2172.100000112.4D51 E52 D56 R57 I58D51-A54 HydrophobicContact CB-CB 3.99Å; D51-A54 PolarHBondContact O-N 3.17Å; D51-A54 PolarHBondContact OD1-N 3.48Å; D51-A54 VanDerWaalsContact OD2-CB 3.26Å; D51-A54 WeakPolarHBondContact OD2-CB 3.48Å; E52-A54 VanDerWaalsContact C-N 3.34Å; E52-A54 PolarHBondContact O-N 3.48Å; A54-D56 VanDerWaalsContact C-N 3.33Å; A54-D56 PolarHBondContact O-N 2.85Å; A54-R57 VanDerWaalsContact CA-NH2 3.31Å; A54-R57 PolarHBondContact O-N 3.16Å; A54-I58 VanDerWaalsContact O-CG1 3.29Å; A54-I58 WeakPolarHBondContact O-CG1 3.45Å; A54-I58 PolarHBondContact O-N 3.37Å
55C96.2Very high95.3Very high13 Ų1374.5 Ų74.59%0.08840%0.395CS..Hα-helixtrans-60.4-44.6176.8-170.30000111.4I49 D51 E52 I58 Y59I49-C55 HydrophobicContact CG2-CB 3.79Å; D51-C55 PolarHBondContact O-N 3.49Å; E52-C55 WeakPolarHBondContact O-CB 3.39Å; E52-C55 PolarHBondContact O-N 3.1Å; E52-C55 VanDerWaalsContact O-N 3.17Å; C55-I58 PolarHBondContact O-N 3.48Å; C55-Y59 PolarHBondContact O-N 3.2Å
56D96.4Very high95.3Very high51 Ų5172 Ų7227%0.27339%0.385SS..Hα-helixtrans-65.6-41.9179.2-65.8-22.1000111.4R5 E52 A53 A54 I58 Y59 E60R5-D56 IonicContact CZ-OD1 2.76Å; R5-D56 IonicContact CZ-OD2 3.74Å; R5-D56 IonicContact NE-OD1 3.42Å; R5-D56 PolarHBondContact NE-OD1 3.34Å; R5-D56 IonicContact NE-OD2 3.46Å; R5-D56 IonicContact NH2-OD1 2.69Å; R5-D56 IonicContact NH2-OD2 3.42Å; R5-D56 PolarHBondContact NH2-OD2 3.02Å; E52-D56 VanDerWaalsContact O-CG 3.3Å; E52-D56 PolarHBondContact O-N 3.45Å; A53-D56 PolarHBondContact O-N 3.46Å; A54-D56 VanDerWaalsContact C-N 3.33Å; A54-D56 PolarHBondContact O-N 2.85Å; D56-I58 VanDerWaalsContact C-N 3.34Å; D56-I58 PolarHBondContact O-N 3.33Å; D56-Y59 WeakPolarHBondContact O-CB 3.48Å; D56-Y59 PolarHBondContact O-N 3.11Å; D56-E60 WeakPolarHBondContact O-CG 3.29Å; D56-E60 PolarHBondContact O-N 3.42Å
57R97.5Very high95.3Very high143 Ų14368.9 Ų68.954%0.5437%0.368SS..Hα-helixtrans-60.3-41.3173.6-73.3-172.1-55.9-87.65.9112.8A53 A54 Y59 E60 A61A53-R57 VanDerWaalsContact C-NH1 3.26Å; A53-R57 WeakPolarHBondContact O-CG 3.39Å; A53-R57 PolarHBondContact O-N 3.24Å; A53-R57 PolarHBondContact O-NH1 3.11Å; A54-R57 VanDerWaalsContact CA-NH2 3.31Å; A54-R57 PolarHBondContact O-N 3.16Å; R57-Y59 VanDerWaalsContact C-N 3.35Å; R57-E60 PolarHBondContact O-N 3.32Å; R57-A61 WeakPolarHBondContact O-CB 3.45Å; R57-A61 PolarHBondContact O-N 3.42Å
58I96.6Very high95.2Very high82 Ų8271.2 Ų71.242%0.42138%0.38SS..Hα-helixtrans-64.9-43.4177.2-69.5164.7000110F9 A54 C55 D56 A61 L62F9-I58 HydrophobicContact CE1-CG2 4.31Å; F9-I58 HydrophobicContact CZ-CG2 4.33Å; A54-I58 VanDerWaalsContact O-CG1 3.29Å; A54-I58 WeakPolarHBondContact O-CG1 3.45Å; A54-I58 PolarHBondContact O-N 3.37Å; C55-I58 PolarHBondContact O-N 3.48Å; D56-I58 VanDerWaalsContact C-N 3.34Å; D56-I58 PolarHBondContact O-N 3.33Å; I58-A61 PolarHBondContact O-N 2.87Å; I58-L62 HydrophobicContact CG2-CD1 4.03Å; I58-L62 HydrophobicContact CG2-CG 4.49Å; I58-L62 WeakPolarHBondContact O-CG 3.39Å; I58-L62 PolarHBondContact O-N 3.5Å
59Y96.7Very high95.3Very high44 Ų4467.7 Ų67.717%0.17336%0.359CS..Hα-helixtrans-59.3-48.7176.6175.9-104.6000111.5L8 F9 L12 C55 D56 R57 A61 L62 Q63L8-Y59 HydrophobicContact CB-CD2 4.13Å; L8-Y59 HydrophobicContact CB-CE1 4.44Å; L8-Y59 HydrophobicContact CB-CE2 3.65Å; L8-Y59 HydrophobicContact CD1-CE1 4.37Å; F9-Y59 HydrophobicContact CD1-CD2 4.49Å; F9-Y59 HydrophobicContact CD2-CD2 4.37Å; F9-Y59 HydrophobicContact CE1-CD2 4.42Å; F9-Y59 HydrophobicContact CE2-CD2 4.26Å; F9-Y59 HydrophobicContact CE2-CG 4.48Å; F9-Y59 HydrophobicContact CG-CD2 4.48Å; F9-Y59 HydrophobicContact CZ-CD2 4.3Å; F9-Y59 HydrophobicContact CZ-CG 4.47Å; L12-Y59 HydrophobicContact CB-CE2 4.17Å; L12-Y59 HydrophobicContact CD1-CD2 4.08Å; L12-Y59 HydrophobicContact CD1-CE2 3.83Å; C55-Y59 PolarHBondContact O-N 3.2Å; D56-Y59 WeakPolarHBondContact O-CB 3.48Å; D56-Y59 PolarHBondContact O-N 3.11Å; R57-Y59 VanDerWaalsContact C-N 3.35Å; Y59-A61 PolarHBondContact O-N 3.4Å; Y59-L62 PolarHBondContact O-N 3.29Å; Y59-Q63 VanDerWaalsContact O-CB 3.25Å; Y59-Q63 WeakPolarHBondContact O-CB 3.39Å; Y59-Q63 PolarHBondContact O-N 3.01Å; Y59-Q63 PolarHBondContact OH-OE1 3.13Å
60E96.9Very high95.2Very high121 Ų12171 Ų7157%0.56537%0.374SS*.Hα-helixtrans-59.3-44.9177.8-72.9175.3176.100112.1D56 R57 L62 Q63 D64D56-E60 WeakPolarHBondContact O-CG 3.29Å; D56-E60 PolarHBondContact O-N 3.42Å; R57-E60 PolarHBondContact O-N 3.32Å; E60-L62 PolarHBondContact O-N 3.24Å; E60-Q63 WeakPolarHBondContact O-CB 3.31Å; E60-Q63 PolarHBondContact O-N 3.41Å; E60-D64 PolarHBondContact O-N 3.24Å
61A96.7Very high95Very high54 Ų5471.4 Ų71.445%0.44636%0.359SS..Hα-helixtrans-62.6-42.617800000112.4R57 I58 Y59 Q63 D64 L65R57-A61 WeakPolarHBondContact O-CB 3.45Å; R57-A61 PolarHBondContact O-N 3.42Å; I58-A61 PolarHBondContact O-N 2.87Å; Y59-A61 PolarHBondContact O-N 3.4Å; A61-Q63 VanDerWaalsContact C-N 3.33Å; A61-D64 PolarHBondContact O-N 3.35Å; A61-L65 WeakPolarHBondContact O-CG 3.43Å; A61-L65 PolarHBondContact O-N 2.76Å; A61-L65 VanDerWaalsContact O-N 3.1Å
62L96.4Very high94.8Very high30 Ų3073.7 Ų73.716%0.15737%0.366CS..Hα-helixtrans-67.8-35.9175.4-70174.6000111.8F9 L12 W16 I33 I58 Y59 E60 L65 V66F9-L62 HydrophobicContact CE1-CD1 3.97Å; L12-L62 HydrophobicContact CD1-CB 3.73Å; L12-L62 HydrophobicContact CD2-CB 4.04Å; L12-L62 HydrophobicContact CD2-CD1 4.38Å; W16-L62 HydrophobicContact CH2-CD2 4.07Å; W16-L62 HydrophobicContact CZ3-CB 4.27Å; W16-L62 HydrophobicContact CZ3-CD2 4.03Å; W16-L62 WeakPolarHBondContact CZ3-O 3.42Å; I33-L62 HydrophobicContact CD1-CD2 3.87Å; I33-L62 HydrophobicContact CG1-CD2 4.33Å; I33-L62 HydrophobicContact CG2-CD1 4.44Å; I58-L62 HydrophobicContact CG2-CD1 4.03Å; I58-L62 HydrophobicContact CG2-CG 4.49Å; I58-L62 WeakPolarHBondContact O-CG 3.39Å; I58-L62 PolarHBondContact O-N 3.5Å; Y59-L62 PolarHBondContact O-N 3.29Å; E60-L62 PolarHBondContact O-N 3.24Å; L62-L65 HydrophobicContact CD2-CD1 4.37Å; L62-L65 PolarHBondContact O-N 3.35Å; L62-V66 PolarHBondContact O-N 3.44Å
63Q95.1Very high94.8Very high44 Ų4473.4 Ų73.421%0.20637%0.368CS..Hα-helixtrans-65.5-41.1177-174.97415.600110.6L12 Y59 E60 A61 V66 N67L12-Q63 HydrophobicContact CD1-CB 4.14Å; Y59-Q63 VanDerWaalsContact O-CB 3.25Å; Y59-Q63 WeakPolarHBondContact O-CB 3.39Å; Y59-Q63 PolarHBondContact O-N 3.01Å; Y59-Q63 PolarHBondContact OH-OE1 3.13Å; E60-Q63 WeakPolarHBondContact O-CB 3.31Å; E60-Q63 PolarHBondContact O-N 3.41Å; A61-Q63 VanDerWaalsContact C-N 3.33Å; Q63-V66 WeakPolarHBondContact O-CG1 3.27Å; Q63-V66 PolarHBondContact O-N 3.25Å; Q63-N67 WeakPolarHBondContact O-CB 3.27Å; Q63-N67 PolarHBondContact O-N 2.81Å; Q63-N67 VanDerWaalsContact O-N 3.1Å; Q63-N67 PolarHBondContact O-ND2 3.37Å
64D95.7Very high94.5Very high45 Ų4577.7 Ų77.724%0.24138%0.377CS..Hα-helixtrans-63.4-40.9174.7-82.3-2.6000111.8E60 A61 N67 D68 K69E60-D64 PolarHBondContact O-N 3.24Å; A61-D64 PolarHBondContact O-N 3.35Å; D64-N67 PolarHBondContact O-N 3.33Å; D64-D68 PolarHBondContact O-N 3.42Å; D64-K69 HydrophobicContact CB-CB 4.33Å; D64-K69 HydrophobicContact CB-CD 4Å; D64-K69 WeakPolarHBondContact O-CB 3.11Å; D64-K69 PolarHBondContact O-N 2.77Å; D64-K69 VanDerWaalsContact O-N 3.09Å; D64-K69 WeakPolarHBondContact OD1-CD 3.44Å; D64-K69 IonicContact OD1-NZ 2.84Å; D64-K69 PolarHBondContact OD1-NZ 3.21Å; D64-K69 WeakPolarHBondContact OD2-CD 3.48Å; D64-K69 IonicContact OD2-NZ 3.75Å; D64-K69 PolarHBondContact OD2-NZ 2.76Å
65L94.2Very high94.1Very high103 Ų10380.4 Ų80.454%0.53940%0.399SS..Hα-helixtrans-64.1-48.5175.9-75.1168.6000112.4W16 A61 L62 N67 D68W16-L65 HydrophobicContact CH2-CB 3.83Å; W16-L65 HydrophobicContact CH2-CD1 4.3Å; W16-L65 HydrophobicContact CZ3-CB 4.32Å; A61-L65 WeakPolarHBondContact O-CG 3.43Å; A61-L65 PolarHBondContact O-N 2.76Å; A61-L65 VanDerWaalsContact O-N 3.1Å; L62-L65 HydrophobicContact CD2-CD1 4.37Å; L62-L65 PolarHBondContact O-N 3.35Å; L65-N67 PolarHBondContact O-N 3.29Å; L65-D68 PolarHBondContact O-N 3.04Å
66V93.2Very high93.6Very high31 Ų3186.7 Ų86.719%0.18843%0.431CS..Hα-helixtrans-69.1-24.1-178.479.20000112.5R15 W16 L62 Q63 D68R15-V66 HydrophobicContact CB-CG2 4.12Å; W16-V66 HydrophobicContact CD2-CG2 4.42Å; W16-V66 HydrophobicContact CE3-CB 3.86Å; W16-V66 HydrophobicContact CE3-CG2 3.97Å; W16-V66 HydrophobicContact CZ3-CB 3.97Å; L62-V66 PolarHBondContact O-N 3.44Å; Q63-V66 WeakPolarHBondContact O-CG1 3.27Å; Q63-V66 PolarHBondContact O-N 3.25Å; V66-D68 VanDerWaalsContact C-N 3.25Å
67N93.4Very high93Very high63 Ų6393.6 Ų93.634%0.33746%0.462SS..THydrogen-bonded Turntrans-81.6-3.5173.8-70.6-24.2000113.2R15 Q63 D64 L65 K69 H72R15-N67 PolarHBondContact NH1-OD1 3.04Å; R15-N67 PolarHBondContact NH2-OD1 3.35Å; Q63-N67 WeakPolarHBondContact O-CB 3.27Å; Q63-N67 PolarHBondContact O-N 2.81Å; Q63-N67 VanDerWaalsContact O-N 3.1Å; Q63-N67 PolarHBondContact O-ND2 3.37Å; D64-N67 PolarHBondContact O-N 3.33Å; L65-N67 PolarHBondContact O-N 3.29Å; N67-K69 PolarHBondContact O-N 2.97Å; N67-K69 VanDerWaalsContact O-N 3.15Å; N67-H72 PolarHBondContact O-CE1 2.69Å; N67-H72 PolarHBondContact O-ND1 3.41Å
68D92.2Very high92.4Very high71 Ų7192.5 Ų92.538%0.3847%0.465SS..THydrogen-bonded Turntrans51.236.8-173.1-154.16.2000111.2D64 L65 V66 H70 R71 H72D64-D68 PolarHBondContact O-N 3.42Å; L65-D68 PolarHBondContact O-N 3.04Å; V66-D68 VanDerWaalsContact C-N 3.25Å; D68-H70 VanDerWaalsContact C-N 3.33Å; D68-H70 PolarHBondContact O-N 2.92Å; D68-R71 HydrophobicContact CB-CB 4.47Å; D68-R71 WeakPolarHBondContact O-CB 3.43Å; D68-R71 PolarHBondContact O-N 2.99Å; D68-R71 WeakPolarHBondContact OD1-CB 3.19Å; D68-R71 WeakPolarHBondContact OD2-CD 3.49Å; D68-R71 IonicContact OD2-NH1 3.63Å; D68-R71 PolarHBondContact OD2-NH1 2.92Å; D68-H72 PolarHBondContact O-N 3.21Å; D68-H72 PolarHBondContact O-ND1 2.62Å
69K94.8Very high91.7Very high76 Ų7696.5 Ų96.533%0.3348%0.482SS..Hα-helixtrans-55.2-47-167.9173.2-179.3172.1-1760112D64 N67 R71 H72 D73D64-K69 HydrophobicContact CB-CB 4.33Å; D64-K69 HydrophobicContact CB-CD 4Å; D64-K69 WeakPolarHBondContact O-CB 3.11Å; D64-K69 PolarHBondContact O-N 2.77Å; D64-K69 VanDerWaalsContact O-N 3.09Å; D64-K69 WeakPolarHBondContact OD1-CD 3.44Å; D64-K69 IonicContact OD1-NZ 2.84Å; D64-K69 PolarHBondContact OD1-NZ 3.21Å; D64-K69 WeakPolarHBondContact OD2-CD 3.48Å; D64-K69 IonicContact OD2-NZ 3.75Å; D64-K69 PolarHBondContact OD2-NZ 2.76Å; N67-K69 PolarHBondContact O-N 2.97Å; N67-K69 VanDerWaalsContact O-N 3.15Å; K69-R71 VanDerWaalsContact C-N 3.26Å; K69-R71 PolarHBondContact O-N 2.94Å; K69-H72 PolarHBondContact O-N 2.92Å; K69-D73 WeakPolarHBondContact CE-OD2 2.96Å; K69-D73 VanDerWaalsContact CG-OD2 3.26Å; K69-D73 WeakPolarHBondContact CG-OD2 3.32Å; K69-D73 PolarHBondContact O-N 2.56Å
70H91.3Very high91.1Very high110 Ų11097.5 Ų97.551%0.50949%0.493SS..Hα-helixtrans-63.3-31.7-178.8-65.5-59.8000113.3D68 H72 F74D68-H70 VanDerWaalsContact C-N 3.33Å; D68-H70 PolarHBondContact O-N 2.92Å; H70-H72 VanDerWaalsContact C-N 3.32Å; H70-F74 WeakPolarHBondContact O-CB 3.35Å; H70-F74 WeakPolarHBondContact O-CD2 3.37Å; H70-F74 PolarHBondContact O-N 2.85Å
71R89.8Confident90.3Very high156 Ų15693.7 Ų93.759%0.58949%0.487SS*.Hα-helixtrans-69-34.7175.5-171.5-175.9180-154.1-4.2111.7D68 K69 A75D68-R71 HydrophobicContact CB-CB 4.47Å; D68-R71 WeakPolarHBondContact O-CB 3.43Å; D68-R71 PolarHBondContact O-N 2.99Å; D68-R71 WeakPolarHBondContact OD1-CB 3.19Å; D68-R71 WeakPolarHBondContact OD2-CD 3.49Å; D68-R71 IonicContact OD2-NH1 3.63Å; D68-R71 PolarHBondContact OD2-NH1 2.92Å; K69-R71 VanDerWaalsContact C-N 3.26Å; K69-R71 PolarHBondContact O-N 2.94Å; R71-A75 WeakPolarHBondContact O-CA 3.37Å; R71-A75 PolarHBondContact O-N 2.85Å
72H89.9Confident89.3Confident135 Ų13598.5 Ų98.563%0.62551%0.51SS*.Hα-helixtrans-75-46.1176.1-63.496.8000111.8N67 D68 K69 H70 F74N67-H72 PolarHBondContact O-CE1 2.69Å; N67-H72 PolarHBondContact O-ND1 3.41Å; D68-H72 PolarHBondContact O-N 3.21Å; D68-H72 PolarHBondContact O-ND1 2.62Å; K69-H72 PolarHBondContact O-N 2.92Å; H70-H72 VanDerWaalsContact C-N 3.32Å; H72-F74 VanDerWaalsContact C-N 3.31Å; H72-F74 PolarHBondContact O-N 3.2Å
73D94.8Very high88.7Confident95 Ų95104.9 Ų104.951%0.50854%0.541SS..Hα-helixtrans-68.2-32.2-178-68.7-9000112.1K69K69-D73 WeakPolarHBondContact CE-OD2 2.96Å; K69-D73 VanDerWaalsContact CG-OD2 3.26Å; K69-D73 WeakPolarHBondContact CG-OD2 3.32Å; K69-D73 PolarHBondContact O-N 2.56Å
74F91Very high88.4Confident142 Ų142105.1 Ų105.162%0.62356%0.555SS**THydrogen-bonded Turntrans-128.160.1-175.7-52.3-74.6000111.2H70 H72 L76H70-F74 WeakPolarHBondContact O-CB 3.35Å; H70-F74 WeakPolarHBondContact O-CD2 3.37Å; H70-F74 PolarHBondContact O-N 2.85Å; H72-F74 VanDerWaalsContact C-N 3.31Å; H72-F74 PolarHBondContact O-N 3.2Å; F74-L76 PolarHBondContact O-N 2.84Å
75A88Confident88.1Confident79 Ų79108.5 Ų108.565%0.65357%0.565SS**  trans-60.4123.1179.700000111.7R71R71-A75 WeakPolarHBondContact O-CA 3.37Å; R71-A75 PolarHBondContact O-N 2.85Å
76L85Confident88Confident145 Ų145106.4 Ų106.476%0.75956%0.556SS**  trans-97.9147175.8-61.1177.3000110.5F74 I78F74-L76 PolarHBondContact O-N 2.84Å; L76-I78 VanDerWaalsContact C-N 3.25Å
77H84.1Confident87.8Confident197 Ų197109.5 Ų109.591%0.91257%0.571SS**SBendtrans-79.6-10171.9-67.6-12.7000113.4
78I83.5Confident87.6Confident120 Ų120111.7 Ų111.762%0.61558%0.583SS**  trans-109.4120.5-176.8-56.9173.2000107.6L76 T80L76-I78 VanDerWaalsContact C-N 3.25Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 WeakPolarHBondContact CG2-OG1 3.47Å
79E82.1Confident87.6Confident165 Ų165111.5 Ų111.577%0.77158%0.58SS**  trans-92.88.5178.9-59.9-168.1154.500113.1
80T84.7Confident87.5Confident65 Ų65110.3 Ų110.340%0.39958%0.581SS.*BIsolated β-bridgetrans-104.8142.8177.5570000111.4I78 R85 T86I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 WeakPolarHBondContact CG2-OG1 3.47Å; T80-R85 CarbonylContact C-O 3.59Å; T80-R85 WeakPolarHBondContact CA-O 3.43Å; T80-T86 HydrophobicContact CG2-CG2 4.27Å
81G79.7Confident87.4Confident42 Ų42110.6 Ų110.643%0.43358%0.577SS.*  trans-78.9-172.2174.900000113M83 G84 R85G81-M83 PolarHBondContact O-N 3.37Å; G81-G84 PolarHBondContact O-N 3.09Å; G81-R85 PolarHBondContact N-O 3.38Å
82V76.2Confident87.6Confident154 Ų154107.8 Ų107.893%0.93357%0.573SS**THydrogen-bonded Turntrans-53.4-32.1-174.9177.70000113.8G84V82-G84 VanDerWaalsContact C-N 3.34Å
83M85.1Confident87.6Confident165 Ų165106 Ų10681%0.81357%0.568SS**THydrogen-bonded Turntrans-9416.2-179.1-64.8-61.7-156.200113.8G81 R85G81-M83 PolarHBondContact O-N 3.37Å; M83-R85 HydrophobicContact CB-CG 4Å; M83-R85 PolarHBondContact O-N 2.85Å
84G88.6Confident87.5Confident49 Ų49104 Ų10451%0.50556%0.559SS.*SBendtrans65.414.9-172.800000113.4G81 V82G81-G84 PolarHBondContact O-N 3.09Å; V82-G84 VanDerWaalsContact C-N 3.34Å
85R89.1Confident87.6Confident115 Ų11597.4 Ų97.443%0.43453%0.53SS..  trans-89.6139.5-178.8-65.2-63.9-177-179.2-3.2111.1T80 G81 M83 E89 L93T80-R85 CarbonylContact C-O 3.59Å; T80-R85 WeakPolarHBondContact CA-O 3.43Å; G81-R85 PolarHBondContact N-O 3.38Å; M83-R85 HydrophobicContact CB-CG 4Å; M83-R85 PolarHBondContact O-N 2.85Å; R85-E89 WeakPolarHBondContact CA-OE2 3.09Å; R85-E89 HydrophobicContact CB-CB 4.16Å; R85-E89 WeakPolarHBondContact CD-OE2 3.39Å; R85-E89 IonicContact CZ-OE1 2.68Å; R85-E89 IonicContact NH1-OE1 3.46Å; R85-E89 PolarHBondContact NH1-OE1 3.18Å; R85-L93 HydrophobicContact CG-CD1 4.44Å
86T91.7Very high87.9Confident59 Ų5994.8 Ų94.836%0.36251%0.505SS..BIsolated β-bridgetrans-71.3166.6173.570.10000111.2T80 D88 E89 C90T80-T86 HydrophobicContact CG2-CG2 4.27Å; T86-D88 VanDerWaalsContact C-N 3.28Å; T86-D88 PolarHBondContact O-N 3.5Å; T86-E89 PolarHBondContact N-OE2 3.48Å; T86-E89 PolarHBondContact O-N 2.89Å; T86-E89 WeakPolarHBondContact OG1-CG 3.43Å; T86-E89 PolarHBondContact OG1-N 2.68Å; T86-C90 PolarHBondContact O-N 3.42Å; T86-C90 PolarHBondContact O-SG 2.94Å; T86-C90 VanDerWaalsContact O-SG 3.38Å
87L88.4Confident88.3Confident97 Ų9795.3 Ų95.351%0.50850%0.502SS..Hα-helixtrans-57.1-41.7175.3178.661.2000112.2C90 R91L87-C90 WeakPolarHBondContact O-CB 3.31Å; L87-C90 PolarHBondContact O-N 2.95Å; L87-R91 WeakPolarHBondContact O-CG 3.44Å; L87-R91 PolarHBondContact O-N 3.5Å
88D90.3Very high88.7Confident108 Ų10887.2 Ų87.258%0.57847%0.467SS*.Hα-helixtrans-70.7-36.4-178.4-68.1-30.5000112T86 R91 L92T86-D88 VanDerWaalsContact C-N 3.28Å; T86-D88 PolarHBondContact O-N 3.5Å; D88-R91 PolarHBondContact O-N 2.93Å; D88-R91 IonicContact OD1-NH1 3.43Å; D88-R91 PolarHBondContact OD1-NH1 3.43Å; D88-L92 WeakPolarHBondContact O-CB 3.5Å; D88-L92 PolarHBondContact O-N 2.85Å
89E91.9Very high88.9Confident67 Ų6787.1 Ų87.131%0.31346%0.46SS..Hα-helixtrans-62.5-44.3170.4-71.3-179.2121.400111.1R85 T86 R91 L92 L93R85-E89 WeakPolarHBondContact CA-OE2 3.09Å; R85-E89 HydrophobicContact CB-CB 4.16Å; R85-E89 WeakPolarHBondContact CD-OE2 3.39Å; R85-E89 IonicContact CZ-OE1 2.68Å; R85-E89 IonicContact NH1-OE1 3.46Å; R85-E89 PolarHBondContact NH1-OE1 3.18Å; T86-E89 PolarHBondContact N-OE2 3.48Å; T86-E89 PolarHBondContact O-N 2.89Å; T86-E89 WeakPolarHBondContact OG1-CG 3.43Å; T86-E89 PolarHBondContact OG1-N 2.68Å; E89-R91 PolarHBondContact O-N 3.14Å; E89-L92 PolarHBondContact O-N 3.19Å; E89-L93 WeakPolarHBondContact O-CB 3.31Å; E89-L93 WeakPolarHBondContact O-CG 3.21Å; E89-L93 PolarHBondContact O-N 2.86Å
90C91.6Very high89.2Confident52 Ų5282.6 Ų82.635%0.35145%0.446SS..Hα-helixtrans-62-40.4175.9-72.40000112.4T86 L87 L93 T94T86-C90 PolarHBondContact O-N 3.42Å; T86-C90 PolarHBondContact O-SG 2.94Å; T86-C90 VanDerWaalsContact O-SG 3.38Å; L87-C90 WeakPolarHBondContact O-CB 3.31Å; L87-C90 PolarHBondContact O-N 2.95Å; C90-L93 PolarHBondContact O-N 3.43Å; C90-T94 WeakPolarHBondContact O-CG2 3.35Å; C90-T94 PolarHBondContact O-N 3.42Å; C90-T94 PolarHBondContact O-OG1 2.86Å
91R91.1Very high89.4Confident115 Ų11582.5 Ų82.543%0.43445%0.446SS..Hα-helixtrans-62-46173.5-78.6-179.1179.2149.3-5.4111.3L21 L87 D88 E89 L93 T94 S95L21-R91 HydrophobicContact CD1-CB 4.25Å; L87-R91 WeakPolarHBondContact O-CG 3.44Å; L87-R91 PolarHBondContact O-N 3.5Å; D88-R91 PolarHBondContact O-N 2.93Å; D88-R91 IonicContact OD1-NH1 3.43Å; D88-R91 PolarHBondContact OD1-NH1 3.43Å; E89-R91 PolarHBondContact O-N 3.14Å; R91-L93 PolarHBondContact O-N 3.18Å; R91-T94 CarbonylContact O-C 3.58Å; R91-T94 PolarHBondContact O-N 3.38Å; R91-T94 PolarHBondContact O-OG1 2.82Å; R91-S95 PolarHBondContact O-N 2.86Å
92L92.4Very high89.8Confident98 Ų9884.7 Ų84.751%0.51345%0.447SS..Hα-helixtrans-63.1-43.8177.8-17464.7000111.5D88 E89 T94 S95 S98D88-L92 WeakPolarHBondContact O-CB 3.5Å; D88-L92 PolarHBondContact O-N 2.85Å; E89-L92 PolarHBondContact O-N 3.19Å; L92-T94 PolarHBondContact O-N 2.98Å; L92-S95 VanDerWaalsContact O-CB 3.26Å; L92-S95 WeakPolarHBondContact O-CB 3.25Å; L92-S95 PolarHBondContact O-N 3.27Å; L92-S95 PolarHBondContact O-OG 2.84Å; L92-S98 WeakPolarHBondContact O-CB 3.48Å; L92-S98 PolarHBondContact O-OG 3.19Å
93L91.4Very high90.2Very high98 Ų9881.1 Ų81.151%0.51342%0.423SS..Hα-helixtrans-60.3-34.3176.7-73.8170.3000112.3R85 E89 C90 R91 S98R85-L93 HydrophobicContact CG-CD1 4.44Å; E89-L93 WeakPolarHBondContact O-CB 3.31Å; E89-L93 WeakPolarHBondContact O-CG 3.21Å; E89-L93 PolarHBondContact O-N 2.86Å; C90-L93 PolarHBondContact O-N 3.43Å; R91-L93 PolarHBondContact O-N 3.18Å; L93-S98 WeakPolarHBondContact O-CB 3.44Å
94T91.1Very high90Very high53 Ų5379.7 Ų79.733%0.32541%0.408SS..Hα-helixtrans-91.5-0.7179.457.50000114.5K22 R27 C90 R91 L92K22-T94 WeakPolarHBondContact CE-OG1 3.31Å; R27-T94 PolarHBondContact NH1-O 3.32Å; R27-T94 PolarHBondContact NH2-O 3.37Å; C90-T94 WeakPolarHBondContact O-CG2 3.35Å; C90-T94 PolarHBondContact O-N 3.42Å; C90-T94 PolarHBondContact O-OG1 2.86Å; R91-T94 CarbonylContact O-C 3.58Å; R91-T94 PolarHBondContact O-N 3.38Å; R91-T94 PolarHBondContact O-OG1 2.82Å; L92-T94 PolarHBondContact O-N 2.98Å
95S94.4Very high89.7Confident2 Ų282.2 Ų82.21%0.01441%0.407CS..SBendtrans-64.3158.317971.40000113.4L21 R91 L92 K97 S98 Y99L21-S95 CarbonylContact O-C 3.59Å; L21-S95 WeakPolarHBondContact O-CA 3.42Å; R91-S95 PolarHBondContact O-N 2.86Å; L92-S95 VanDerWaalsContact O-CB 3.26Å; L92-S95 WeakPolarHBondContact O-CB 3.25Å; L92-S95 PolarHBondContact O-N 3.27Å; L92-S95 PolarHBondContact O-OG 2.84Å; S95-K97 PolarHBondContact O-N 3.25Å; S95-S98 PolarHBondContact O-N 3.35Å; S95-S98 VanDerWaalsContact O-N 3.15Å; S95-S98 PolarHBondContact OG-N 3.26Å; S95-S98 PolarHBondContact OG-OG 3.17Å; S95-Y99 WeakPolarHBondContact O-CD2 3.39Å; S95-Y99 PolarHBondContact O-N 3.03Å
96D94Very high89.4Confident24 Ų2483.8 Ų83.813%0.12842%0.417CS..Hα-helixtrans-57-33.8173.3-71.3-13.3000111.9L21 K22 S23 K24 S25 R27 S100L21-D96 WeakPolarHBondContact O-CB 3.32Å; L21-D96 PolarHBondContact O-N 3.22Å; K22-D96 WeakPolarHBondContact CA-OD2 3.31Å; S23-D96 PolarHBondContact N-OD2 2.9Å; K24-D96 WeakPolarHBondContact CA-OD2 3.43Å; K24-D96 WeakPolarHBondContact CB-OD2 3.17Å; K24-D96 PolarHBondContact N-OD2 2.76Å; S25-D96 WeakPolarHBondContact CB-OD1 3.33Å; S25-D96 PolarHBondContact N-OD2 3.31Å; S25-D96 PolarHBondContact OG-OD1 3.35Å; R27-D96 IonicContact CZ-OD1 3.25Å; R27-D96 IonicContact NE-OD1 2.86Å; R27-D96 IonicContact NH2-OD1 3.94Å; R27-D96 PolarHBondContact NH2-OD1 3.04Å; D96-S100 WeakPolarHBondContact O-CB 3.14Å; D96-S100 PolarHBondContact O-N 3.47Å; D96-S100 PolarHBondContact O-OG 2.9Å
97K92.3Very high89.1Confident156 Ų15683.2 Ų83.268%0.67841%0.414SS*.Hα-helixtrans-65.3-45.8176.5-173.2-179.9179-177.40111.6S95 S100 T101S95-K97 PolarHBondContact O-N 3.25Å; K97-S100 WeakPolarHBondContact CA-OG 3.48Å; K97-S100 PolarHBondContact O-OG 3.44Å; K97-T101 WeakPolarHBondContact O-CB 3.46Å; K97-T101 PolarHBondContact O-N 3.14Å; K97-T101 PolarHBondContact O-OG1 3.28Å
98S92.4Very high89Confident27 Ų2785.5 Ų85.519%0.18942%0.42CS..Hα-helixtrans-66.5-43178.2-67.40000111.2L92 L93 S95 T101 L102L92-S98 WeakPolarHBondContact O-CB 3.48Å; L92-S98 PolarHBondContact O-OG 3.19Å; L93-S98 WeakPolarHBondContact O-CB 3.44Å; S95-S98 PolarHBondContact O-N 3.35Å; S95-S98 VanDerWaalsContact O-N 3.15Å; S95-S98 PolarHBondContact OG-N 3.26Å; S95-S98 PolarHBondContact OG-OG 3.17Å; S98-T101 WeakPolarHBondContact O-CB 3.21Å; S98-T101 PolarHBondContact O-N 2.63Å; S98-L102 WeakPolarHBondContact O-CG 3.33Å; S98-L102 PolarHBondContact O-N 2.66Å
99Y88.9Confident88.8Confident118 Ų11885 Ų8546%0.46342%0.421SS..Hα-helixtrans-62.8-44.8176-92.1-89.8000113.2S95 T101 L102 D103S95-Y99 WeakPolarHBondContact O-CD2 3.39Å; S95-Y99 PolarHBondContact O-N 3.03Å; Y99-T101 VanDerWaalsContact C-N 3.27Å; Y99-T101 PolarHBondContact O-N 3.32Å; Y99-L102 PolarHBondContact O-N 3.23Å; Y99-D103 WeakPolarHBondContact O-CB 3.26Å; Y99-D103 PolarHBondContact O-N 2.88Å
100S87.3Confident88.4Confident70 Ų7082 Ų8249%0.4941%0.408SS..Hα-helixtrans-63.8-33.917752.90000112.4D96 K97 R104D96-S100 WeakPolarHBondContact O-CB 3.14Å; D96-S100 PolarHBondContact O-N 3.47Å; D96-S100 PolarHBondContact O-OG 2.9Å; K97-S100 WeakPolarHBondContact CA-OG 3.48Å; K97-S100 PolarHBondContact O-OG 3.44Å; S100-R104 WeakPolarHBondContact O-CB 3.45Å; S100-R104 PolarHBondContact O-N 3.49Å; S100-R104 VanDerWaalsContact O-N 3.1Å
101T89Confident88.1Confident63 Ų6386 Ų8639%0.38742%0.415SS..Hα-helixtrans-64.9-47172.3-55.40000111K97 S98 Y99 R104 H105K97-T101 WeakPolarHBondContact O-CB 3.46Å; K97-T101 PolarHBondContact O-N 3.14Å; K97-T101 PolarHBondContact O-OG1 3.28Å; S98-T101 WeakPolarHBondContact O-CB 3.21Å; S98-T101 PolarHBondContact O-N 2.63Å; Y99-T101 VanDerWaalsContact C-N 3.27Å; Y99-T101 PolarHBondContact O-N 3.32Å; T101-R104 PolarHBondContact O-N 2.8Å; T101-H105 PolarHBondContact O-CD2 2.94Å; T101-H105 VanDerWaalsContact O-CD2 3.26Å; T101-H105 PolarHBondContact O-N 3.5Å
102L88.4Confident88Confident88 Ų8884.5 Ų84.546%0.46142%0.416SS..Hα-helixtrans-62.3-45.4177.5-71.2174.6000111.8S98 Y99 R104 H105 F106S98-L102 WeakPolarHBondContact O-CG 3.33Å; S98-L102 PolarHBondContact O-N 2.66Å; Y99-L102 PolarHBondContact O-N 3.23Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 3.3Å; L102-H105 PolarHBondContact O-N 3.43Å; L102-H105 VanDerWaalsContact O-N 3.09Å; L102-F106 HydrophobicContact CB-CD2 4.27Å; L102-F106 HydrophobicContact CD2-CD2 3.73Å; L102-F106 HydrophobicContact CD2-CE2 3.48Å; L102-F106 VanDerWaalsContact CD2-CE2 3.48Å; L102-F106 WeakPolarHBondContact O-CB 3.1Å; L102-F106 VanDerWaalsContact O-CD2 3.31Å; L102-F106 WeakPolarHBondContact O-CD2 3.35Å; L102-F106 PolarHBondContact O-N 3.31Å
103D84.9Confident87.8Confident79 Ų7985.7 Ų85.742%0.42242%0.417SS..Hα-helixtrans-57.3-46.5178.3-175.551.7000110.9Y99 H105 F106 T107 G110Y99-D103 WeakPolarHBondContact O-CB 3.26Å; Y99-D103 PolarHBondContact O-N 2.88Å; D103-H105 PolarHBondContact O-N 3.1Å; D103-F106 PolarHBondContact O-N 3.28Å; D103-T107 PolarHBondContact O-N 3Å; D103-T107 VanDerWaalsContact O-N 3.14Å; D103-T107 PolarHBondContact O-OG1 3.05Å; D103-T107 WeakPolarHBondContact OD1-CB 3.49Å; D103-T107 WeakPolarHBondContact OD1-CG2 3.49Å; D103-T107 PolarHBondContact OD1-OG1 2.91Å; D103-G110 WeakPolarHBondContact O-CA 3.43Å
104R81.9Confident87.5Confident135 Ų13582.4 Ų82.451%0.50940%0.404SS..Hα-helixtrans-56.7-35.4176.8-162.2-179.769.1170.9-0.1113.6S100 T101 L102 G110 R111 A114S100-R104 WeakPolarHBondContact O-CB 3.45Å; S100-R104 PolarHBondContact O-N 3.49Å; S100-R104 VanDerWaalsContact O-N 3.1Å; T101-R104 PolarHBondContact O-N 2.8Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 3.3Å; R104-G110 CarbonylContact O-C 3.55Å; R104-R111 WeakPolarHBondContact O-CA 3.44Å; R104-R111 WeakPolarHBondContact O-CG 3.42Å; R104-R111 PolarHBondContact O-N 2.84Å; R104-A114 HydrophobicContact CG-CB 3.58Å
105H81.9Confident87.4Confident102 Ų10285.4 Ų85.447%0.47241%0.412SS..Hα-helixtrans-92.6-33.8-174.5-82.4-76.9000113.8T101 L102 D103 R111T101-H105 PolarHBondContact O-CD2 2.94Å; T101-H105 VanDerWaalsContact O-CD2 3.26Å; T101-H105 PolarHBondContact O-N 3.5Å; L102-H105 PolarHBondContact O-N 3.43Å; L102-H105 VanDerWaalsContact O-N 3.09Å; D103-H105 PolarHBondContact O-N 3.1Å; H105-R111 VanDerWaalsContact O-CD 3.31Å; H105-R111 WeakPolarHBondContact O-CD 3.48Å
106F82.6Confident87.2Confident148 Ų14887.3 Ų87.365%0.64942%0.422SS*.Hα-helixtrans-107.8-29-167-69-76000113.9L102 D103L102-F106 HydrophobicContact CB-CD2 4.27Å; L102-F106 HydrophobicContact CD2-CD2 3.73Å; L102-F106 HydrophobicContact CD2-CE2 3.48Å; L102-F106 VanDerWaalsContact CD2-CE2 3.48Å; L102-F106 WeakPolarHBondContact O-CB 3.1Å; L102-F106 VanDerWaalsContact O-CD2 3.31Å; L102-F106 WeakPolarHBondContact O-CD2 3.35Å; L102-F106 PolarHBondContact O-N 3.31Å; D103-F106 PolarHBondContact O-N 3.28Å
107T84.5Confident87Confident48 Ų4889.9 Ų89.929%0.29444%0.435SS..SBendtrans-87145.3178.670.80000110.8D103 T109 G110 R111D103-T107 PolarHBondContact O-N 3Å; D103-T107 VanDerWaalsContact O-N 3.14Å; D103-T107 PolarHBondContact O-OG1 3.05Å; D103-T107 WeakPolarHBondContact OD1-CB 3.49Å; D103-T107 WeakPolarHBondContact OD1-CG2 3.49Å; D103-T107 PolarHBondContact OD1-OG1 2.91Å; T107-T109 VanDerWaalsContact C-N 3.29Å; T107-T109 PolarHBondContact O-N 3.15Å; T107-T109 PolarHBondContact OG1-OG1 2.8Å; T107-G110 PolarHBondContact O-N 2.88Å; T107-G110 WeakPolarHBondContact OG1-CA 3.33Å; T107-G110 PolarHBondContact OG1-N 3.26Å; T107-R111 WeakPolarHBondContact O-CB 3.46Å; T107-R111 WeakPolarHBondContact O-CG 3.44Å; T107-R111 PolarHBondContact O-N 2.81Å; T107-R111 PolarHBondContact O-NE 3.34Å
108F86.3Confident87Confident145 Ų14589.8 Ų89.864%0.63644%0.437SS*.Hα-helixtrans-59.9-44.6174.5172.8-98.6000110.6R111 L112F108-R111 PolarHBondContact O-N 3.39Å; F108-L112 HydrophobicContact CE1-CD2 4.36Å; F108-L112 VanDerWaalsContact O-CB 3.31Å; F108-L112 WeakPolarHBondContact O-CB 3.5Å; F108-L112 PolarHBondContact O-N 3.09Å
109T87Confident87Confident96 Ų9696.4 Ų96.459%0.58946%0.458SS*.Hα-helixtrans-62.9-42.817746.40000112.1T107 L112 K113T107-T109 VanDerWaalsContact C-N 3.29Å; T107-T109 PolarHBondContact O-N 3.15Å; T107-T109 PolarHBondContact OG1-OG1 2.8Å; T109-L112 PolarHBondContact O-N 3.19Å; T109-K113 VanDerWaalsContact O-CB 3.25Å; T109-K113 WeakPolarHBondContact O-CB 3.49Å; T109-K113 PolarHBondContact O-N 2.95Å
110G83.1Confident87.1Confident4 Ų493.9 Ų93.94%0.04147%0.467CS..Hα-helixtrans-64.9-43.8176.800000112.4D103 R104 T107 K113 A114D103-G110 WeakPolarHBondContact O-CA 3.43Å; R104-G110 CarbonylContact O-C 3.55Å; T107-G110 PolarHBondContact O-N 2.88Å; T107-G110 WeakPolarHBondContact OG1-CA 3.33Å; T107-G110 PolarHBondContact OG1-N 3.26Å; G110-K113 PolarHBondContact O-N 3.26Å; G110-A114 WeakPolarHBondContact O-CB 3.37Å; G110-A114 PolarHBondContact O-N 3.23Å
111R86Confident87.4Confident137 Ų13795.9 Ų95.952%0.51747%0.472SS..Hα-helixtrans-64-42.8174.4-74.2-174.9-71.5-177-0.7112.5R104 H105 T107 F108 A114 K115R104-R111 WeakPolarHBondContact O-CA 3.44Å; R104-R111 WeakPolarHBondContact O-CG 3.42Å; R104-R111 PolarHBondContact O-N 2.84Å; H105-R111 VanDerWaalsContact O-CD 3.31Å; H105-R111 WeakPolarHBondContact O-CD 3.48Å; T107-R111 WeakPolarHBondContact O-CB 3.46Å; T107-R111 WeakPolarHBondContact O-CG 3.44Å; T107-R111 PolarHBondContact O-N 2.81Å; T107-R111 PolarHBondContact O-NE 3.34Å; F108-R111 PolarHBondContact O-N 3.39Å; R111-A114 WeakPolarHBondContact O-CB 3.42Å; R111-A114 PolarHBondContact O-N 3.1Å; R111-K115 PolarHBondContact O-N 2.87Å; R111-K115 VanDerWaalsContact O-N 3.09Å
112L87.8Confident87.2Confident83 Ų8396.6 Ų96.644%0.43547%0.473SS..Hα-helixtrans-62.9-47.3176.8-170.776000110.6F108 T109 A114 K115 L116F108-L112 HydrophobicContact CE1-CD2 4.36Å; F108-L112 VanDerWaalsContact O-CB 3.31Å; F108-L112 WeakPolarHBondContact O-CB 3.5Å; F108-L112 PolarHBondContact O-N 3.09Å; T109-L112 PolarHBondContact O-N 3.19Å; L112-A114 VanDerWaalsContact C-N 3.31Å; L112-A114 PolarHBondContact O-N 3.4Å; L112-K115 PolarHBondContact O-N 3.26Å; L112-L116 HydrophobicContact CG-CD1 4.3Å; L112-L116 WeakPolarHBondContact O-CG 3.39Å; L112-L116 PolarHBondContact O-N 3.5Å
113K88.3Confident86.6Confident123 Ų123100.5 Ų100.554%0.53551%0.507SS..Hα-helixtrans-60.3-40.8177.7-167.1177-177.7-178.30111.7T109 G110 K115 L116 I117 L122T109-K113 VanDerWaalsContact O-CB 3.25Å; T109-K113 WeakPolarHBondContact O-CB 3.49Å; T109-K113 PolarHBondContact O-N 2.95Å; G110-K113 PolarHBondContact O-N 3.26Å; K113-K115 PolarHBondContact O-N 3.47Å; K113-L116 PolarHBondContact O-N 3.33Å; K113-I117 HydrophobicContact CG-CD1 4.41Å; K113-I117 WeakPolarHBondContact O-CG1 3.43Å; K113-I117 PolarHBondContact O-N 3.41Å; K113-L122 HydrophobicContact CG-CD1 4.15Å
114A85.8Confident86.7Confident29 Ų29101.6 Ų101.624%0.2451%0.512CS..Hα-helixtrans-59-46.7174.700000112.2R104 G110 R111 L112 I117 E118R104-A114 HydrophobicContact CG-CB 3.58Å; G110-A114 WeakPolarHBondContact O-CB 3.37Å; G110-A114 PolarHBondContact O-N 3.23Å; R111-A114 WeakPolarHBondContact O-CB 3.42Å; R111-A114 PolarHBondContact O-N 3.1Å; L112-A114 VanDerWaalsContact C-N 3.31Å; L112-A114 PolarHBondContact O-N 3.4Å; A114-I117 PolarHBondContact O-N 3.02Å; A114-E118 WeakPolarHBondContact O-CB 3.36Å; A114-E118 PolarHBondContact O-N 3.29Å
115K88.7Confident87Confident116 Ų11699.8 Ų99.850%0.50451%0.512SS..Hα-helixtrans-64.2-39.2176.1-78.3-163.6171.3-168.40112.8R111 L112 K113 I117 E118 W119R111-K115 PolarHBondContact O-N 2.87Å; R111-K115 VanDerWaalsContact O-N 3.09Å; L112-K115 PolarHBondContact O-N 3.26Å; K113-K115 PolarHBondContact O-N 3.47Å; K115-I117 VanDerWaalsContact C-N 3.31Å; K115-I117 PolarHBondContact O-N 2.92Å; K115-E118 WeakPolarHBondContact O-CB 3.48Å; K115-E118 PolarHBondContact O-N 2.87Å; K115-W119 HydrophobicContact CD-CZ2 4.42Å; K115-W119 WeakPolarHBondContact O-CB 3.21Å; K115-W119 VanDerWaalsContact O-CG 3.24Å; K115-W119 PolarHBondContact O-N 3.28Å
116L90.6Very high87.2Confident43 Ų4399.7 Ų99.723%0.22551%0.514CS..Hα-helixtrans-64.4-36.3177.1-70.5173000112.1L112 K113 W119 G120 I121 L122L112-L116 HydrophobicContact CG-CD1 4.3Å; L112-L116 WeakPolarHBondContact O-CG 3.39Å; L112-L116 PolarHBondContact O-N 3.5Å; K113-L116 PolarHBondContact O-N 3.33Å; L116-W119 HydrophobicContact CD2-CE3 4.38Å; L116-G120 PolarHBondContact O-N 3.34Å; L116-I121 HydrophobicContact CB-CB 4.48Å; L116-I121 HydrophobicContact CD2-CB 4.28Å; L116-I121 HydrophobicContact CD2-CD1 3.71Å; L116-I121 HydrophobicContact CD2-CG2 4.29Å; L116-I121 WeakPolarHBondContact O-CB 3.41Å; L116-I121 PolarHBondContact O-N 3.3Å; L116-L122 HydrophobicContact CB-CB 4.43Å; L116-L122 HydrophobicContact CB-CD1 3.77Å; L116-L122 HydrophobicContact CB-CG 4.06Å; L116-L122 HydrophobicContact CD1-CD1 3.75Å; L116-L122 HydrophobicContact CD1-CG 4.49Å; L116-L122 HydrophobicContact CG-CD1 4.43Å; L116-L122 PolarHBondContact O-N 2.86Å
117I90.3Very high87.5Confident77 Ų7796.9 Ų96.940%0.39551%0.506SS..Hα-helixtrans-68.4-44.2172.3-66.5167.1000110.6K113 A114 K115 W119 G120 L122K113-I117 HydrophobicContact CG-CD1 4.41Å; K113-I117 WeakPolarHBondContact O-CG1 3.43Å; K113-I117 PolarHBondContact O-N 3.41Å; A114-I117 PolarHBondContact O-N 3.02Å; K115-I117 VanDerWaalsContact C-N 3.31Å; K115-I117 PolarHBondContact O-N 2.92Å; I117-W119 VanDerWaalsContact C-N 3.26Å; I117-W119 PolarHBondContact O-N 3.39Å; I117-G120 WeakPolarHBondContact O-CA 3.48Å; I117-G120 PolarHBondContact O-N 2.92Å; I117-L122 HydrophobicContact CG1-CB 3.97Å
118E90.6Very high87.7Confident154 Ų15499.9 Ų99.972%0.7252%0.519SS*.Hα-helixtrans-59.3-37.1176.5-172.8-178.2-176.900112.2A114 K115 G120A114-E118 WeakPolarHBondContact O-CB 3.36Å; A114-E118 PolarHBondContact O-N 3.29Å; K115-E118 WeakPolarHBondContact O-CB 3.48Å; K115-E118 PolarHBondContact O-N 2.87Å; E118-G120 PolarHBondContact O-N 3.42Å
119W93.6Very high87.8Confident167 Ų16796.9 Ų96.963%0.63351%0.511SS*.THydrogen-bonded Turntrans-79.50.1173.9-64.4-14.9000114K115 L116 I117 I121K115-W119 HydrophobicContact CD-CZ2 4.42Å; K115-W119 WeakPolarHBondContact O-CB 3.21Å; K115-W119 VanDerWaalsContact O-CG 3.24Å; K115-W119 PolarHBondContact O-N 3.28Å; L116-W119 HydrophobicContact CD2-CE3 4.38Å; I117-W119 VanDerWaalsContact C-N 3.26Å; I117-W119 PolarHBondContact O-N 3.39Å; W119-I121 VanDerWaalsContact C-N 3.28Å; W119-I121 HydrophobicContact CB-CD1 4.07Å; W119-I121 HydrophobicContact CB-CG1 4.17Å; W119-I121 HydrophobicContact CE3-CD1 4.07Å; W119-I121 PolarHBondContact O-N 3.34Å
120G91.1Very high87.9Confident64 Ų6497 Ų9766%0.6651%0.506SS*.THydrogen-bonded Turntrans71.516.417900000115L116 I117 E118L116-G120 PolarHBondContact O-N 3.34Å; I117-G120 WeakPolarHBondContact O-CA 3.48Å; I117-G120 PolarHBondContact O-N 2.92Å; E118-G120 PolarHBondContact O-N 3.42Å
121I92.8Very high88.2Confident113 Ų113104.2 Ų104.258%0.57954%0.541SS*.SBendtrans-82.3-36-179-61.2171.7000111L116 W119L116-I121 HydrophobicContact CB-CB 4.48Å; L116-I121 HydrophobicContact CD2-CB 4.28Å; L116-I121 HydrophobicContact CD2-CD1 3.71Å; L116-I121 HydrophobicContact CD2-CG2 4.29Å; L116-I121 WeakPolarHBondContact O-CB 3.41Å; L116-I121 PolarHBondContact O-N 3.3Å; W119-I121 VanDerWaalsContact C-N 3.28Å; W119-I121 HydrophobicContact CB-CD1 4.07Å; W119-I121 HydrophobicContact CB-CG1 4.17Å; W119-I121 HydrophobicContact CE3-CD1 4.07Å; W119-I121 PolarHBondContact O-N 3.34Å
122L85.8Confident88.4Confident78 Ų78101.4 Ų101.441%0.40854%0.544SS..  trans-116.4149.1176.2-68.8175.7000109.9K113 L116 I117K113-L122 HydrophobicContact CG-CD1 4.15Å; L116-L122 HydrophobicContact CB-CB 4.43Å; L116-L122 HydrophobicContact CB-CD1 3.77Å; L116-L122 HydrophobicContact CB-CG 4.06Å; L116-L122 HydrophobicContact CD1-CD1 3.75Å; L116-L122 HydrophobicContact CD1-CG 4.49Å; L116-L122 HydrophobicContact CG-CD1 4.43Å; L116-L122 PolarHBondContact O-N 2.86Å; I117-L122 HydrophobicContact CG1-CB 3.97Å
123S75.3Confident88.5Confident170 Ų170103.1 Ų103.1100%1.18955%0.553SS**  trans-94.40170.472.10000111.9

Retrieved 123 of 123 residues in 49.7 ms (Link to these results)

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