A0A087WR37_MOUSE Loading...

DnaJ heat shock protein family (Hsp40) member B2

AlphaFold DB , UniProt , Accession A0A087WR37, Species MOUSE (Mus musculus, Mouse), Gene Dnajb2, Length 76 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.2Low80.9Confident174 Ų17456.9 Ų56.986%0.85731%0.313SS*.  0104.80-90.4105.4110.300109S3M1-S3 PolarHBondContact O-N 3.33Å
2A58.5Low81.1Confident45 Ų4565.9 Ų65.937%0.37234%0.339SS..  trans-68119.1-179.600000111.1E6 R70A2-E6 WeakPolarHBondContact CA-OE2 3.35Å; A2-R70 VanDerWaalsContact O-CD 3.26Å; A2-R70 WeakPolarHBondContact O-CD 3.19Å; A2-R70 PolarHBondContact O-NE 3.25Å; A2-R70 VanDerWaalsContact O-NE 3.1Å; A2-R70 PolarHBondContact O-NH1 3.01Å
3S81Confident81.3Confident17 Ų1769.5 Ų69.512%0.11937%0.374CS..  trans-70.4154-179.1-53.70000110.7M1 Y5 E6 I7 Y65M1-S3 PolarHBondContact O-N 3.33Å; S3-Y5 PolarHBondContact O-N 3.41Å; S3-Y5 VanDerWaalsContact O-N 3.17Å; S3-E6 PolarHBondContact N-OE2 3.23Å; S3-E6 WeakPolarHBondContact O-CA 3.38Å; S3-E6 WeakPolarHBondContact O-CB 3.09Å; S3-E6 PolarHBondContact O-N 3.37Å; S3-I7 PolarHBondContact O-N 2.9Å; S3-Y65 VanDerWaalsContact CA-OH 3.25Å; S3-Y65 WeakPolarHBondContact CA-OH 3.38Å
4Y86.3Confident81.8Confident6 Ų664.9 Ų64.92%0.02435%0.35CS..Hα-helixtrans-57.2-32.1173.4-73-44.2000112.3E6 I7 L8 E51 A52 V55 Y65 R70 L73Y4-E6 PolarHBondContact O-N 3.42Å; Y4-I7 HydrophobicContact CD1-CD1 3.91Å; Y4-I7 HydrophobicContact CE1-CD1 4.45Å; Y4-I7 PolarHBondContact O-N 3.31Å; Y4-L8 PolarHBondContact O-N 3.42Å; Y4-E51 HydrophobicContact CE1-CB 4.43Å; Y4-E51 HydrophobicContact CE1-CG 3.92Å; Y4-E51 WeakPolarHBondContact CE1-OE1 3.3Å; Y4-E51 VanDerWaalsContact CZ-OE1 3.32Å; Y4-E51 PolarHBondContact OH-OE1 2.85Å; Y4-A52 VanDerWaalsContact CD1-CA 3.43Å; Y4-A52 HydrophobicContact CD1-CB 3.55Å; Y4-A52 HydrophobicContact CE1-CB 4.49Å; Y4-A52 HydrophobicContact CG-CB 3.91Å; Y4-V55 HydrophobicContact CD2-CB 3.88Å; Y4-V55 HydrophobicContact CD2-CG1 3.76Å; Y4-V55 HydrophobicContact CD2-CG2 4.25Å; Y4-V55 HydrophobicContact CE2-CB 3.89Å; Y4-V55 HydrophobicContact CE2-CG1 3.83Å; Y4-V55 HydrophobicContact CE2-CG2 3.73Å; Y4-Y65 HydrophobicContact CD2-CD1 4.43Å; Y4-Y65 AromaticContact CD2-CD2 3.38Å; Y4-Y65 HydrophobicContact CD2-CD2 3.38Å; Y4-Y65 HydrophobicContact CD2-CE1 4.21Å; Y4-Y65 AromaticContact CD2-CE2 3.03Å; Y4-Y65 HydrophobicContact CD2-CE2 3.03Å; Y4-Y65 HydrophobicContact CD2-CG 4.05Å; Y4-Y65 AromaticContact CD2-CZ 3.52Å; Y4-Y65 AromaticContact CE2-CD2 3.42Å; Y4-Y65 HydrophobicContact CE2-CD2 3.42Å; Y4-Y65 VanDerWaalsContact CE2-CD2 3.42Å; Y4-Y65 AromaticContact CE2-CE2 3.25Å; Y4-Y65 HydrophobicContact CE2-CE2 3.25Å; Y4-Y65 HydrophobicContact CE2-CG 4.4Å; Y4-Y65 AromaticContact CG-CE2 3.95Å; Y4-Y65 HydrophobicContact CG-CE2 3.95Å; Y4-Y65 PolarHBondContact N-OH 2.84Å; Y4-R70 HydrophobicContact CE2-CG 4.4Å; Y4-L73 HydrophobicContact CE2-CD1 4.22Å
5Y87.5Confident82.2Confident7 Ų764.7 Ų64.73%0.02736%0.355CS..Hα-helixtrans-58.6-42.3170.7-61.8-76.9000112.5S3 D9 V10 R12 L56 R62 Y65S3-Y5 PolarHBondContact O-N 3.41Å; S3-Y5 VanDerWaalsContact O-N 3.17Å; Y5-D9 WeakPolarHBondContact O-CA 3.47Å; Y5-D9 PolarHBondContact O-N 3.13Å; Y5-V10 CarbonylContact C-O 3.32Å; Y5-V10 WeakPolarHBondContact CB-O 3.47Å; Y5-V10 HydrophobicContact CD1-CG2 4.22Å; Y5-V10 PolarHBondContact O-N 2.84Å; Y5-V10 VanDerWaalsContact O-O 3.12Å; Y5-R12 HydrophobicContact CD1-CB 4.43Å; Y5-R12 HydrophobicContact CD1-CG 4.24Å; Y5-R12 HydrophobicContact CD2-CG 3.71Å; Y5-R12 HydrophobicContact CE1-CB 4.35Å; Y5-R12 HydrophobicContact CE1-CG 4.44Å; Y5-R12 HydrophobicContact CE2-CB 4.47Å; Y5-R12 HydrophobicContact CE2-CG 3.9Å; Y5-R12 HydrophobicContact CG-CG 3.86Å; Y5-L56 HydrophobicContact CD1-CD1 3.51Å; Y5-L56 HydrophobicContact CD1-CD2 4.21Å; Y5-L56 HydrophobicContact CD2-CD1 4.4Å; Y5-L56 HydrophobicContact CD2-CD2 4.27Å; Y5-L56 HydrophobicContact CE1-CD1 3.69Å; Y5-L56 HydrophobicContact CE1-CD2 3.64Å; Y5-L56 HydrophobicContact CE1-CG 4.29Å; Y5-L56 HydrophobicContact CE2-CD2 3.74Å; Y5-L56 HydrophobicContact CG-CD1 3.91Å; Y5-L56 VanDerWaalsContact CZ-CD2 3.41Å; Y5-R62 PolarHBondContact OH-NE 3.06Å; Y5-R62 PolarHBondContact OH-NH2 2.94Å; Y5-Y65 HydrophobicContact CD2-CE1 4.1Å; Y5-Y65 HydrophobicContact CE2-CD1 4.17Å; Y5-Y65 AromaticContact CE2-CE1 3.83Å; Y5-Y65 HydrophobicContact CE2-CE1 3.83Å
6E86.6Confident82.5Confident120 Ų12065.5 Ų65.556%0.56136%0.364SS*.Hα-helixtrans-72.2-34.8177.3-63.7-176.2100.900112.1A2 S3 Y4 L8 D9A2-E6 WeakPolarHBondContact CA-OE2 3.35Å; S3-E6 PolarHBondContact N-OE2 3.23Å; S3-E6 WeakPolarHBondContact O-CA 3.38Å; S3-E6 WeakPolarHBondContact O-CB 3.09Å; S3-E6 PolarHBondContact O-N 3.37Å; Y4-E6 PolarHBondContact O-N 3.42Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-D9 PolarHBondContact O-N 3.03Å; E6-D9 VanDerWaalsContact O-N 3.12Å
7I88.1Confident82.9Confident19 Ų1967 Ų6710%0.09737%0.372CS..Hα-helixtrans-61.2-47.5175.6-70.1166.9000110.3S3 Y4 D9 K26 E48 V49 A52S3-I7 PolarHBondContact O-N 2.9Å; Y4-I7 HydrophobicContact CD1-CD1 3.91Å; Y4-I7 HydrophobicContact CE1-CD1 4.45Å; Y4-I7 PolarHBondContact O-N 3.31Å; I7-D9 PolarHBondContact O-N 3.43Å; I7-K26 WeakPolarHBondContact O-CE 3.46Å; I7-K26 PolarHBondContact O-NZ 3.16Å; I7-E48 HydrophobicContact CD1-CB 4.2Å; I7-E48 HydrophobicContact CG2-CB 3.84Å; I7-E48 WeakPolarHBondContact CG2-O 3.46Å; I7-V49 HydrophobicContact CG2-CB 4.41Å; I7-V49 HydrophobicContact CG2-CG2 3.76Å; I7-A52 HydrophobicContact CB-CB 4.2Å; I7-A52 HydrophobicContact CG2-CB 3.99Å
8L87.2Confident83.3Confident2 Ų267.6 Ų67.61%0.0137%0.374CS..Hα-helixtrans-76.3-9.7176.3-77.1167.6000113.4Y4 E6 V10 I19 A22 V49 A52 L56Y4-L8 PolarHBondContact O-N 3.42Å; E6-L8 VanDerWaalsContact C-N 3.34Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 HydrophobicContact CB-CG1 4.35Å; L8-V10 HydrophobicContact CB-CG2 3.74Å; L8-I19 HydrophobicContact CD1-CG2 3.96Å; L8-A22 WeakPolarHBondContact O-CB 3.34Å; L8-V49 HydrophobicContact CD2-CG1 3.91Å; L8-A52 HydrophobicContact CD1-CB 3.68Å; L8-A52 HydrophobicContact CG-CB 3.74Å; L8-L56 HydrophobicContact CD1-CD1 3.92Å
9D88.3Confident83.7Confident129 Ų12964 Ų6469%0.6935%0.354SS*.THydrogen-bonded Turntrans58.345.6-175.7-153-115000112Y5 E6 I7Y5-D9 WeakPolarHBondContact O-CA 3.47Å; Y5-D9 PolarHBondContact O-N 3.13Å; E6-D9 PolarHBondContact O-N 3.03Å; E6-D9 VanDerWaalsContact O-N 3.12Å; I7-D9 PolarHBondContact O-N 3.43Å
10V89.1Confident84Confident19 Ų1965.3 Ų65.312%0.11536%0.356CS..  trans-127.6148.8-178.9-65.50000110.8Y5 L8 A14 I19 A22Y5-V10 CarbonylContact C-O 3.32Å; Y5-V10 WeakPolarHBondContact CB-O 3.47Å; Y5-V10 HydrophobicContact CD1-CG2 4.22Å; Y5-V10 PolarHBondContact O-N 2.84Å; Y5-V10 VanDerWaalsContact O-O 3.12Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 HydrophobicContact CB-CG1 4.35Å; L8-V10 HydrophobicContact CB-CG2 3.74Å; V10-A14 HydrophobicContact CB-CB 3.9Å; V10-A14 HydrophobicContact CG2-CB 4.24Å; V10-I19 HydrophobicContact CG2-CG1 4.28Å; V10-A22 HydrophobicContact CG1-CB 3.29Å
11P87.4Confident84.4Confident88 Ų8868.1 Ų68.157%0.57137%0.365SS*.  trans-68.8157.1175.427.6-33.7000111.5S13 A14P11-S13 PolarHBondContact O-N 2.77Å; P11-S13 VanDerWaalsContact O-N 3.16Å; P11-A14 HydrophobicContact CG-CB 4.15Å; P11-A14 WeakPolarHBondContact O-CB 3.43Å; P11-A14 PolarHBondContact O-N 3.4Å
12R83.3Confident86.4Confident165 Ų16560.6 Ų60.662%0.62333%0.33SS*.THydrogen-bonded Turntrans-60.4-23.8173.6-68.7-171.3-179.8170.3-0.8113.8Y5 A14 R62Y5-R12 HydrophobicContact CD1-CB 4.43Å; Y5-R12 HydrophobicContact CD1-CG 4.24Å; Y5-R12 HydrophobicContact CD2-CG 3.71Å; Y5-R12 HydrophobicContact CE1-CB 4.35Å; Y5-R12 HydrophobicContact CE1-CG 4.44Å; Y5-R12 HydrophobicContact CE2-CB 4.47Å; Y5-R12 HydrophobicContact CE2-CG 3.9Å; Y5-R12 HydrophobicContact CG-CG 3.86Å; R12-A14 VanDerWaalsContact C-N 3.28Å; R12-R62 PolarHBondContact O-NH2 3.29Å
13S84.1Confident88Confident113 Ų11361.1 Ų61.179%0.7932%0.323SS*.THydrogen-bonded Turntrans-854.5174.2-56.80000113.6P11 S15P11-S13 PolarHBondContact O-N 2.77Å; P11-S13 VanDerWaalsContact O-N 3.16Å; S13-S15 PolarHBondContact O-N 2.97Å
14A87.4Confident88.4Confident5 Ų568 Ų684%0.04135%0.346CS..  trans-60.6137.7-179.400000111.6V10 P11 R12 D18 I19 R62V10-A14 HydrophobicContact CB-CB 3.9Å; V10-A14 HydrophobicContact CG2-CB 4.24Å; P11-A14 HydrophobicContact CG-CB 4.15Å; P11-A14 WeakPolarHBondContact O-CB 3.43Å; P11-A14 PolarHBondContact O-N 3.4Å; R12-A14 VanDerWaalsContact C-N 3.28Å; A14-D18 HydrophobicContact CB-CB 4.08Å; A14-I19 HydrophobicContact CB-CD1 4.45Å; A14-I19 HydrophobicContact CB-CG1 4.1Å; A14-R62 PolarHBondContact O-NH1 3.31Å; A14-R62 VanDerWaalsContact O-NH1 3.1Å; A14-R62 PolarHBondContact O-NH2 2.89Å
15S88.4Confident88.7Confident62 Ų6275.7 Ų75.743%0.43438%0.38SS..  trans-74.1157.5173.1-64.10000110.2S13 D17 D18 I19S13-S15 PolarHBondContact O-N 2.97Å; S15-D17 PolarHBondContact O-N 2.75Å; S15-D17 VanDerWaalsContact O-N 3.11Å; S15-D18 WeakPolarHBondContact CB-OD2 3.16Å; S15-D18 PolarHBondContact N-OD2 3.11Å; S15-D18 WeakPolarHBondContact O-CB 3.42Å; S15-D18 PolarHBondContact O-N 3.13Å; S15-I19 PolarHBondContact O-N 3.37Å
16P86.4Confident88.8Confident77 Ų7777.2 Ų77.250%0.539%0.387SS..Hα-helixtrans-54.5-30.5174.220.9-33.2000112.7K20P16-K20 WeakPolarHBondContact O-CB 3.44Å; P16-K20 PolarHBondContact O-N 2.98Å
17D89.2Confident88.9Confident91 Ų9172.1 Ų72.149%0.48737%0.365SS..Hα-helixtrans-68-41.3175.7-151.1-98.1000112.7S15 K20 K21S15-D17 PolarHBondContact O-N 2.75Å; S15-D17 VanDerWaalsContact O-N 3.11Å; D17-K20 PolarHBondContact O-N 3.1Å; D17-K21 WeakPolarHBondContact O-CG 3.41Å; D17-K21 PolarHBondContact O-N 3.34Å; D17-K21 VanDerWaalsContact OD1-CE 3.3Å; D17-K21 WeakPolarHBondContact OD1-CE 3.37Å; D17-K21 IonicContact OD1-NZ 2.75Å; D17-K21 PolarHBondContact OD1-NZ 3.49Å
18D90.4Very high88.9Confident77 Ų7776.5 Ų76.541%0.41239%0.388SS..Hα-helixtrans-65-43.4174.4-66.5-68000111.4A14 S15 K20 K21 A22A14-D18 HydrophobicContact CB-CB 4.08Å; S15-D18 WeakPolarHBondContact CB-OD2 3.16Å; S15-D18 PolarHBondContact N-OD2 3.11Å; S15-D18 WeakPolarHBondContact O-CB 3.42Å; S15-D18 PolarHBondContact O-N 3.13Å; D18-K20 VanDerWaalsContact C-N 3.31Å; D18-K20 PolarHBondContact O-N 2.78Å; D18-K21 PolarHBondContact O-N 3.03Å; D18-A22 WeakPolarHBondContact O-CB 3.06Å; D18-A22 PolarHBondContact O-N 2.91Å
19I90.3Very high88.9Confident0 Ų081.3 Ų81.30%041%0.411CS..Hα-helixtrans-58.4-44.4175.6-72156.6000110.5L8 V10 A14 S15 A22 Y23 Y53 L56L8-I19 HydrophobicContact CD1-CG2 3.96Å; V10-I19 HydrophobicContact CG2-CG1 4.28Å; A14-I19 HydrophobicContact CB-CD1 4.45Å; A14-I19 HydrophobicContact CB-CG1 4.1Å; S15-I19 PolarHBondContact O-N 3.37Å; I19-A22 PolarHBondContact O-N 3.16Å; I19-Y23 WeakPolarHBondContact O-CB 3.46Å; I19-Y23 PolarHBondContact O-N 3.18Å; I19-Y53 HydrophobicContact CG2-CD2 3.67Å; I19-Y53 HydrophobicContact CG2-CE2 4.19Å; I19-L56 HydrophobicContact CD1-CB 3.82Å; I19-L56 HydrophobicContact CG1-CB 4.34Å; I19-L56 HydrophobicContact CG2-CB 4.09Å
20K90.4Very high89Confident90 Ų9077.1 Ų77.139%0.39139%0.385SS..Hα-helixtrans-65.1-40.9176.8-171.8176.1-177.2176.20112.8P16 D17 D18 R24 Y53P16-K20 WeakPolarHBondContact O-CB 3.44Å; P16-K20 PolarHBondContact O-N 2.98Å; D17-K20 PolarHBondContact O-N 3.1Å; D18-K20 VanDerWaalsContact C-N 3.31Å; D18-K20 PolarHBondContact O-N 2.78Å; K20-R24 WeakPolarHBondContact O-CG 3.5Å; K20-R24 PolarHBondContact O-N 3.5Å; K20-R24 VanDerWaalsContact O-N 3.1Å; K20-Y53 HydrophobicContact CB-CE2 3.93Å; K20-Y53 HydrophobicContact CG-CE2 4.17Å
21K92.1Very high88.8Confident125 Ų12580.1 Ų80.154%0.54340%0.398SS..Hα-helixtrans-64.1-45175.4-77.6169.7175.9146.40111.4D17 D18 R24 K25D17-K21 WeakPolarHBondContact O-CG 3.41Å; D17-K21 PolarHBondContact O-N 3.34Å; D17-K21 VanDerWaalsContact OD1-CE 3.3Å; D17-K21 WeakPolarHBondContact OD1-CE 3.37Å; D17-K21 IonicContact OD1-NZ 2.75Å; D17-K21 PolarHBondContact OD1-NZ 3.49Å; D18-K21 PolarHBondContact O-N 3.03Å; K21-R24 PolarHBondContact O-N 3.38Å; K21-K25 PolarHBondContact O-N 3.24Å
22A92.3Very high88.6Confident16 Ų1679.2 Ų79.213%0.13239%0.392CS..Hα-helixtrans-63.8-44.9178.200000112.1L8 V10 D18 I19 R24 K25 K26L8-A22 WeakPolarHBondContact O-CB 3.34Å; V10-A22 HydrophobicContact CG1-CB 3.29Å; D18-A22 WeakPolarHBondContact O-CB 3.06Å; D18-A22 PolarHBondContact O-N 2.91Å; I19-A22 PolarHBondContact O-N 3.16Å; A22-R24 PolarHBondContact O-N 2.85Å; A22-K25 PolarHBondContact O-N 3.43Å; A22-K25 VanDerWaalsContact O-N 3.16Å; A22-K26 WeakPolarHBondContact O-CB 3.38Å; A22-K26 WeakPolarHBondContact O-CG 3.48Å; A22-K26 PolarHBondContact O-N 2.86Å
23Y91.9Very high88.8Confident56 Ų5677.6 Ų77.622%0.2240%0.395CS..Hα-helixtrans-53.8-51173.4170.1-102.3000111.4I19 K25 K26 A27 V49 A50 Y53I19-Y23 WeakPolarHBondContact O-CB 3.46Å; I19-Y23 PolarHBondContact O-N 3.18Å; Y23-K25 VanDerWaalsContact C-N 3.31Å; Y23-K25 PolarHBondContact O-N 3.04Å; Y23-K26 PolarHBondContact O-N 3.02Å; Y23-A27 WeakPolarHBondContact O-CB 3.42Å; Y23-A27 PolarHBondContact O-N 3.12Å; Y23-V49 HydrophobicContact CD2-CG1 3.51Å; Y23-V49 HydrophobicContact CE2-CG1 3.94Å; Y23-V49 HydrophobicContact CG-CG1 4.49Å; Y23-A50 HydrophobicContact CE2-CB 4.21Å; Y23-Y53 HydrophobicContact CD1-CD1 4.45Å; Y23-Y53 HydrophobicContact CD1-CD2 4.35Å; Y23-Y53 HydrophobicContact CD1-CG 4.27Å; Y23-Y53 HydrophobicContact CD2-CD1 4.37Å; Y23-Y53 HydrophobicContact CD2-CD2 4.39Å; Y23-Y53 AromaticContact CD2-CG 3.85Å; Y23-Y53 HydrophobicContact CD2-CG 3.85Å; Y23-Y53 HydrophobicContact CG-CD1 4.3Å; Y23-Y53 AromaticContact CG-CD2 3.86Å; Y23-Y53 HydrophobicContact CG-CD2 3.86Å; Y23-Y53 AromaticContact CG-CG 3.73Å; Y23-Y53 HydrophobicContact CG-CG 3.73Å
24R90.9Very high88.8Confident161 Ų16179.3 Ų79.361%0.60839%0.389SS*.Hα-helixtrans-58.6-42.5178.1-76.1-179.4170-166-3.6112.4K20 K21 A22 L28K20-R24 WeakPolarHBondContact O-CG 3.5Å; K20-R24 PolarHBondContact O-N 3.5Å; K20-R24 VanDerWaalsContact O-N 3.1Å; K21-R24 PolarHBondContact O-N 3.38Å; A22-R24 PolarHBondContact O-N 2.85Å; R24-L28 WeakPolarHBondContact O-CG 3.18Å; R24-L28 PolarHBondContact O-N 2.93Å; R24-L28 VanDerWaalsContact O-N 3.13Å
25K90.9Very high88.7Confident167 Ų16780.7 Ų80.773%0.72640%0.395SS*.Hα-helixtrans-65.8-45-179.6-158.4178.9-176.9-175.60111.5K21 A22 Y23 Q29K21-K25 PolarHBondContact O-N 3.24Å; A22-K25 PolarHBondContact O-N 3.43Å; A22-K25 VanDerWaalsContact O-N 3.16Å; Y23-K25 VanDerWaalsContact C-N 3.31Å; Y23-K25 PolarHBondContact O-N 3.04Å; K25-Q29 WeakPolarHBondContact O-CB 3.32Å; K25-Q29 PolarHBondContact O-N 2.89Å
26K89.9Confident88.4Confident39 Ų3982 Ų8217%0.1740%0.403CS..Hα-helixtrans-69.5-39.4177.5-72.9-98.1-179.2152.50112.4I7 A22 Y23 L28 Q29 W30 V49I7-K26 WeakPolarHBondContact O-CE 3.46Å; I7-K26 PolarHBondContact O-NZ 3.16Å; A22-K26 WeakPolarHBondContact O-CB 3.38Å; A22-K26 WeakPolarHBondContact O-CG 3.48Å; A22-K26 PolarHBondContact O-N 2.86Å; Y23-K26 PolarHBondContact O-N 3.02Å; K26-L28 VanDerWaalsContact C-N 3.31Å; K26-L28 PolarHBondContact O-N 3.11Å; K26-Q29 WeakPolarHBondContact O-CB 3.42Å; K26-Q29 PolarHBondContact O-N 2.92Å; K26-Q29 VanDerWaalsContact O-N 3.13Å; K26-W30 PolarHBondContact O-N 3.02Å; K26-V49 HydrophobicContact CB-CB 4.46Å; K26-V49 HydrophobicContact CB-CG1 3.73Å; K26-V49 HydrophobicContact CB-CG2 3.86Å; K26-V49 HydrophobicContact CD-CG2 4.19Å; K26-V49 HydrophobicContact CG-CG2 4.35Å
27A88.4Confident88.5Confident13 Ų1385.5 Ų85.511%0.10742%0.417CS..Hα-helixtrans-59.7-41.9175.800000111.6Y23 W30 H31 F46Y23-A27 WeakPolarHBondContact O-CB 3.42Å; Y23-A27 PolarHBondContact O-N 3.12Å; A27-W30 CarbonylContact O-C 3.59Å; A27-H31 WeakPolarHBondContact O-CA 3.32Å; A27-H31 WeakPolarHBondContact O-CB 3.36Å; A27-H31 PolarHBondContact O-N 3.1Å; A27-F46 HydrophobicContact CB-CD2 4.31Å; A27-F46 HydrophobicContact CB-CE2 3.74Å
28L88.8Confident88.3Confident111 Ų11185.7 Ų85.758%0.58142%0.418SS*.Hα-helixtrans-70.2-35.2173.7-72168000112.5R24 K26 H31R24-L28 WeakPolarHBondContact O-CG 3.18Å; R24-L28 PolarHBondContact O-N 2.93Å; R24-L28 VanDerWaalsContact O-N 3.13Å; K26-L28 VanDerWaalsContact C-N 3.31Å; K26-L28 PolarHBondContact O-N 3.11Å; L28-H31 PolarHBondContact O-N 3.4Å
29Q87.6Confident88.1Confident103 Ų10388.1 Ų88.148%0.48143%0.425SS..Hα-helixtrans-66.3-40.7176.8-176.8176.97.900112.1K25 K26 N35K25-Q29 WeakPolarHBondContact O-CB 3.32Å; K25-Q29 PolarHBondContact O-N 2.89Å; K26-Q29 WeakPolarHBondContact O-CB 3.42Å; K26-Q29 PolarHBondContact O-N 2.92Å; K26-Q29 VanDerWaalsContact O-N 3.13Å; Q29-N35 PolarHBondContact O-ND2 2.8Å
30W89.9Confident88Confident42 Ų4296.8 Ų96.816%0.15947%0.465CS..THydrogen-bonded Turntrans-96.815.6179-60.4117.1000113.1K26 A27 F41 A42 K45 F46K26-W30 PolarHBondContact O-N 3.02Å; A27-W30 CarbonylContact O-C 3.59Å; W30-F41 HydrophobicContact CE3-CD1 4.3Å; W30-F41 AromaticContact CH2-CD1 3.96Å; W30-F41 HydrophobicContact CH2-CD1 3.96Å; W30-F41 AromaticContact CH2-CE1 3.44Å; W30-F41 HydrophobicContact CH2-CE1 3.44Å; W30-F41 VanDerWaalsContact CH2-CE1 3.44Å; W30-F41 HydrophobicContact CZ2-CE1 4.32Å; W30-F41 AromaticContact CZ3-CD1 3.55Å; W30-F41 HydrophobicContact CZ3-CD1 3.55Å; W30-F41 AromaticContact CZ3-CE1 3.56Å; W30-F41 HydrophobicContact CZ3-CE1 3.56Å; W30-A42 HydrophobicContact CB-CB 4.49Å; W30-A42 HydrophobicContact CE3-CB 4.23Å; W30-A42 WeakPolarHBondContact O-CB 3.33Å; W30-K45 HydrophobicContact CB-CB 4.3Å; W30-K45 HydrophobicContact CD2-CB 3.42Å; W30-K45 VanDerWaalsContact CD2-CB 3.42Å; W30-K45 HydrophobicContact CD2-CG 3.87Å; W30-K45 HydrophobicContact CE3-CB 3.97Å; W30-K45 HydrophobicContact CE3-CG 4.11Å; W30-K45 HydrophobicContact CG-CB 3.56Å; W30-K45 HydrophobicContact CG-CG 4.5Å; W30-K45 HydrophobicContact CH2-CG 4.1Å; W30-K45 HydrophobicContact CZ2-CB 4.2Å; W30-K45 HydrophobicContact CZ2-CD 3.91Å; W30-K45 HydrophobicContact CZ2-CG 3.8Å; W30-K45 HydrophobicContact CZ3-CG 4.23Å; W30-F46 HydrophobicContact CB-CB 4.37Å
31H85.7Confident87.9Confident82 Ų8297.6 Ų97.638%0.3847%0.469SS..  trans-66.3136.6178.2-163.1-90.6000109.8A27 L28 D33 K34 N35A27-H31 WeakPolarHBondContact O-CA 3.32Å; A27-H31 WeakPolarHBondContact O-CB 3.36Å; A27-H31 PolarHBondContact O-N 3.1Å; L28-H31 PolarHBondContact O-N 3.4Å; H31-D33 WeakPolarHBondContact ND1-CB 3.19Å; H31-D33 PolarHBondContact ND1-N 3.22Å; H31-D33 PolarHBondContact O-N 2.78Å; H31-K34 PolarHBondContact O-N 3.36Å; H31-N35 PolarHBondContact O-N 3.48Å; H31-N35 VanDerWaalsContact O-N 3.11Å; H31-N35 PolarHBondContact O-ND2 2.84Å
32P82.6Confident87.8Confident68 Ų6891.7 Ų91.744%0.44244%0.444SS..THydrogen-bonded Turntrans-61.9-26.7-17823.7-35000113N35P32-N35 CarbonylContact O-C 3.51Å; P32-N35 VanDerWaalsContact O-C 3.32Å; P32-N35 PolarHBondContact O-N 3.41Å
33D86.4Confident87.6Confident131 Ų13196.3 Ų96.370%0.70146%0.462SS*.THydrogen-bonded Turntrans-63.3-39.1173.5-168.4-107000112.5H31H31-D33 WeakPolarHBondContact ND1-CB 3.19Å; H31-D33 PolarHBondContact ND1-N 3.22Å; H31-D33 PolarHBondContact O-N 2.78Å
34K84.5Confident87.4Confident149 Ų149100.2 Ų100.265%0.64848%0.481SS*.THydrogen-bonded Turntrans-85.2-15.5177.6-69.2-154.7174-155.70113.6H31 P36H31-K34 PolarHBondContact O-N 3.36Å; K34-P36 WeakPolarHBondContact O-CD 3.26Å
35N84.8Confident87.3Confident34 Ų3495.4 Ų95.418%0.18246%0.464CS..  trans-123.762.7-178.8-59.6-87.5000110.5Q29 H31 P32 D37 N38 K39 A42Q29-N35 PolarHBondContact O-ND2 2.8Å; H31-N35 PolarHBondContact O-N 3.48Å; H31-N35 VanDerWaalsContact O-N 3.11Å; H31-N35 PolarHBondContact O-ND2 2.84Å; P32-N35 CarbonylContact O-C 3.51Å; P32-N35 VanDerWaalsContact O-C 3.32Å; P32-N35 PolarHBondContact O-N 3.41Å; N35-D37 PolarHBondContact O-N 3.43Å; N35-N38 PolarHBondContact O-N 2.94Å; N35-K39 WeakPolarHBondContact O-CG 3.44Å; N35-K39 PolarHBondContact O-N 3.16Å; N35-A42 HydrophobicContact CB-CB 3.77Å
36P83.8Confident87.2Confident90 Ų9090.8 Ų90.858%0.58444%0.444SS*.SBendtrans-63.9-30.1-178.426-34.2000112.7K34K34-P36 WeakPolarHBondContact O-CD 3.26Å
37D86.9Confident87.2Confident150 Ų15095 Ų9580%0.80246%0.462SS*.SBendtrans-85.4-26.9-177.7-129.5-109.2000113.3N35N35-D37 PolarHBondContact O-N 3.43Å
38N86.3Confident87.2Confident95 Ų9597 Ų9751%0.50847%0.47SS..  trans-122.239.6-171.5-73.2-50.1000112N35 E40 F41 A42N35-N38 PolarHBondContact O-N 2.94Å; N38-E40 VanDerWaalsContact C-N 3.31Å; N38-E40 PolarHBondContact O-N 3.4Å; N38-F41 HydrophobicContact CB-CB 4.34Å; N38-F41 PolarHBondContact O-N 3.29Å; N38-F41 VanDerWaalsContact O-N 3.16Å; N38-A42 VanDerWaalsContact O-CB 3.26Å; N38-A42 WeakPolarHBondContact O-CB 3.45Å; N38-A42 PolarHBondContact O-N 2.93Å
39K86.6Confident87.3Confident128 Ų12891.8 Ų91.856%0.55744%0.442SS*.Hα-helixtrans-55.5-42.5-175.9-70.3-179-176.8178.50113.1N35 A42 E43N35-K39 WeakPolarHBondContact O-CG 3.44Å; N35-K39 PolarHBondContact O-N 3.16Å; K39-A42 PolarHBondContact O-N 2.69Å; K39-E43 WeakPolarHBondContact O-CB 3.4Å; K39-E43 PolarHBondContact O-N 3.17Å
40E88.1Confident87.4Confident182 Ų18288.4 Ų88.485%0.8543%0.432SS*.Hα-helixtrans-62.4-46.6176.9-93.9178.166.600112.5N38 A42 E43 K44N38-E40 VanDerWaalsContact C-N 3.31Å; N38-E40 PolarHBondContact O-N 3.4Å; E40-A42 VanDerWaalsContact C-N 3.34Å; E40-E43 PolarHBondContact O-N 3.17Å; E40-K44 WeakPolarHBondContact O-CB 3.49Å; E40-K44 PolarHBondContact O-N 3.07Å
41F87.6Confident87.4Confident108 Ų10891.3 Ų91.347%0.47445%0.447SS..Hα-helixtrans-66.3-40.8179-171.3-97.6000111.4W30 N38 K44 K45W30-F41 HydrophobicContact CE3-CD1 4.3Å; W30-F41 AromaticContact CH2-CD1 3.96Å; W30-F41 HydrophobicContact CH2-CD1 3.96Å; W30-F41 AromaticContact CH2-CE1 3.44Å; W30-F41 HydrophobicContact CH2-CE1 3.44Å; W30-F41 VanDerWaalsContact CH2-CE1 3.44Å; W30-F41 HydrophobicContact CZ2-CE1 4.32Å; W30-F41 AromaticContact CZ3-CD1 3.55Å; W30-F41 HydrophobicContact CZ3-CD1 3.55Å; W30-F41 AromaticContact CZ3-CE1 3.56Å; W30-F41 HydrophobicContact CZ3-CE1 3.56Å; N38-F41 HydrophobicContact CB-CB 4.34Å; N38-F41 PolarHBondContact O-N 3.29Å; N38-F41 VanDerWaalsContact O-N 3.16Å; F41-K44 PolarHBondContact O-N 3.39Å; F41-K45 HydrophobicContact CD1-CG 4.08Å; F41-K45 HydrophobicContact CE1-CD 4.4Å; F41-K45 HydrophobicContact CE1-CG 3.78Å; F41-K45 HydrophobicContact CZ-CD 4.46Å; F41-K45 HydrophobicContact CZ-CG 4.16Å; F41-K45 WeakPolarHBondContact O-CB 3.49Å; F41-K45 WeakPolarHBondContact O-CG 3.23Å; F41-K45 PolarHBondContact O-N 2.99Å
42A89.2Confident87.6Confident1 Ų187.4 Ų87.41%0.00843%0.429CS..Hα-helixtrans-63.4-44.5176.100000111.5W30 N35 N38 K39 E40 K45 F46W30-A42 HydrophobicContact CB-CB 4.49Å; W30-A42 HydrophobicContact CE3-CB 4.23Å; W30-A42 WeakPolarHBondContact O-CB 3.33Å; N35-A42 HydrophobicContact CB-CB 3.77Å; N38-A42 VanDerWaalsContact O-CB 3.26Å; N38-A42 WeakPolarHBondContact O-CB 3.45Å; N38-A42 PolarHBondContact O-N 2.93Å; K39-A42 PolarHBondContact O-N 2.69Å; E40-A42 VanDerWaalsContact C-N 3.34Å; A42-K45 PolarHBondContact O-N 3.47Å; A42-F46 WeakPolarHBondContact O-CB 3.44Å; A42-F46 PolarHBondContact O-N 3Å
43E88.3Confident88Confident112 Ų11287 Ų8752%0.52342%0.419SS..Hα-helixtrans-61.9-45.4175.1-172.2-173.8111.100111.5K39 E40 K45 F46 K47K39-E43 WeakPolarHBondContact O-CB 3.4Å; K39-E43 PolarHBondContact O-N 3.17Å; E40-E43 PolarHBondContact O-N 3.17Å; E43-K45 VanDerWaalsContact C-N 3.35Å; E43-K45 PolarHBondContact O-N 2.88Å; E43-F46 PolarHBondContact O-N 3.36Å; E43-K47 HydrophobicContact CG-CD 4.47Å; E43-K47 PolarHBondContact O-N 2.95Å; E43-K47 IonicContact OE1-NZ 2.75Å; E43-K47 PolarHBondContact OE1-NZ 3.32Å
44K88.7Confident88.1Confident139 Ų13986.2 Ų86.260%0.60441%0.411SS*.Hα-helixtrans-58.9-47.8177.3-172.3175-178.2176.30111E40 F41 F46 K47 E48E40-K44 WeakPolarHBondContact O-CB 3.49Å; E40-K44 PolarHBondContact O-N 3.07Å; F41-K44 PolarHBondContact O-N 3.39Å; K44-F46 VanDerWaalsContact C-N 3.34Å; K44-F46 PolarHBondContact O-N 3.25Å; K44-K47 PolarHBondContact O-N 3.5Å; K44-E48 WeakPolarHBondContact O-CG 3.26Å; K44-E48 PolarHBondContact O-N 3.37Å
45K88.5Confident88.3Confident60 Ų6079.3 Ų79.326%0.26138%0.382SS..Hα-helixtrans-64.4-38.3176.9-74.3-75.9163.2-139.60112.4W30 F41 A42 E43 E48 V49W30-K45 HydrophobicContact CB-CB 4.3Å; W30-K45 HydrophobicContact CD2-CB 3.42Å; W30-K45 VanDerWaalsContact CD2-CB 3.42Å; W30-K45 HydrophobicContact CD2-CG 3.87Å; W30-K45 HydrophobicContact CE3-CB 3.97Å; W30-K45 HydrophobicContact CE3-CG 4.11Å; W30-K45 HydrophobicContact CG-CB 3.56Å; W30-K45 HydrophobicContact CG-CG 4.5Å; W30-K45 HydrophobicContact CH2-CG 4.1Å; W30-K45 HydrophobicContact CZ2-CB 4.2Å; W30-K45 HydrophobicContact CZ2-CD 3.91Å; W30-K45 HydrophobicContact CZ2-CG 3.8Å; W30-K45 HydrophobicContact CZ3-CG 4.23Å; F41-K45 HydrophobicContact CD1-CG 4.08Å; F41-K45 HydrophobicContact CE1-CD 4.4Å; F41-K45 HydrophobicContact CE1-CG 3.78Å; F41-K45 HydrophobicContact CZ-CD 4.46Å; F41-K45 HydrophobicContact CZ-CG 4.16Å; F41-K45 WeakPolarHBondContact O-CB 3.49Å; F41-K45 WeakPolarHBondContact O-CG 3.23Å; F41-K45 PolarHBondContact O-N 2.99Å; A42-K45 PolarHBondContact O-N 3.47Å; E43-K45 VanDerWaalsContact C-N 3.35Å; E43-K45 PolarHBondContact O-N 2.88Å; K45-E48 IonicContact NZ-OE2 2.78Å; K45-E48 PolarHBondContact NZ-OE2 3.3Å; K45-E48 PolarHBondContact O-N 2.78Å; K45-V49 VanDerWaalsContact O-CB 3.32Å; K45-V49 WeakPolarHBondContact O-CB 3.23Å; K45-V49 WeakPolarHBondContact O-CG2 3.4Å; K45-V49 PolarHBondContact O-N 2.94Å
46F89.3Confident88.4Confident69 Ų6977.8 Ų77.830%0.30337%0.374SS..Hα-helixtrans-64.4-44.2177-172.8-87.9000111.4A27 W30 A42 E43 K44 V49 A50A27-F46 HydrophobicContact CB-CD2 4.31Å; A27-F46 HydrophobicContact CB-CE2 3.74Å; W30-F46 HydrophobicContact CB-CB 4.37Å; A42-F46 WeakPolarHBondContact O-CB 3.44Å; A42-F46 PolarHBondContact O-N 3Å; E43-F46 PolarHBondContact O-N 3.36Å; K44-F46 VanDerWaalsContact C-N 3.34Å; K44-F46 PolarHBondContact O-N 3.25Å; F46-V49 PolarHBondContact O-N 2.99Å; F46-A50 WeakPolarHBondContact O-CB 3.45Å; F46-A50 PolarHBondContact O-N 3.37Å
47K88.6Confident88.6Confident128 Ų12875.8 Ų75.856%0.55736%0.362SS*.Hα-helixtrans-59.8-48173.1-79175.7174.7159.70111.4E43 K44 V49 A50 E51E43-K47 HydrophobicContact CG-CD 4.47Å; E43-K47 PolarHBondContact O-N 2.95Å; E43-K47 IonicContact OE1-NZ 2.75Å; E43-K47 PolarHBondContact OE1-NZ 3.32Å; K44-K47 PolarHBondContact O-N 3.5Å; K47-V49 VanDerWaalsContact C-N 3.31Å; K47-V49 PolarHBondContact O-N 3.45Å; K47-A50 PolarHBondContact O-N 2.96Å; K47-E51 WeakPolarHBondContact O-CB 2.95Å; K47-E51 PolarHBondContact O-N 2.79Å
48E89.3Confident88.6Confident55 Ų5572.1 Ų72.126%0.25734%0.342SS..Hα-helixtrans-56.4-45.5175.7-72.7-175.6106.600111.5I7 K44 K45 A52I7-E48 HydrophobicContact CD1-CB 4.2Å; I7-E48 HydrophobicContact CG2-CB 3.84Å; I7-E48 WeakPolarHBondContact CG2-O 3.46Å; K44-E48 WeakPolarHBondContact O-CG 3.26Å; K44-E48 PolarHBondContact O-N 3.37Å; K45-E48 IonicContact NZ-OE2 2.78Å; K45-E48 PolarHBondContact NZ-OE2 3.3Å; K45-E48 PolarHBondContact O-N 2.78Å; E48-A52 VanDerWaalsContact O-CB 3.23Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 2.92Å
49V90.8Very high88.5Confident1 Ų176.4 Ų76.41%0.00636%0.356CS..Hα-helixtrans-67.2-38.6-179.8163.30000112.2I7 L8 Y23 K26 K45 F46 K47 Y53I7-V49 HydrophobicContact CG2-CB 4.41Å; I7-V49 HydrophobicContact CG2-CG2 3.76Å; L8-V49 HydrophobicContact CD2-CG1 3.91Å; Y23-V49 HydrophobicContact CD2-CG1 3.51Å; Y23-V49 HydrophobicContact CE2-CG1 3.94Å; Y23-V49 HydrophobicContact CG-CG1 4.49Å; K26-V49 HydrophobicContact CB-CB 4.46Å; K26-V49 HydrophobicContact CB-CG1 3.73Å; K26-V49 HydrophobicContact CB-CG2 3.86Å; K26-V49 HydrophobicContact CD-CG2 4.19Å; K26-V49 HydrophobicContact CG-CG2 4.35Å; K45-V49 VanDerWaalsContact O-CB 3.32Å; K45-V49 WeakPolarHBondContact O-CB 3.23Å; K45-V49 WeakPolarHBondContact O-CG2 3.4Å; K45-V49 PolarHBondContact O-N 2.94Å; F46-V49 PolarHBondContact O-N 2.99Å; K47-V49 VanDerWaalsContact C-N 3.31Å; K47-V49 PolarHBondContact O-N 3.45Å; V49-Y53 WeakPolarHBondContact O-CB 3.36Å; V49-Y53 PolarHBondContact O-N 2.85Å
50A89.8Confident88.5Confident32 Ų3276.6 Ų76.626%0.26436%0.359SS..Hα-helixtrans-67.6-45.7176.400000111.8Y23 F46 K47 Y53 E54Y23-A50 HydrophobicContact CE2-CB 4.21Å; F46-A50 WeakPolarHBondContact O-CB 3.45Å; F46-A50 PolarHBondContact O-N 3.37Å; K47-A50 PolarHBondContact O-N 2.96Å; A50-Y53 PolarHBondContact O-N 2.85Å; A50-E54 PolarHBondContact O-N 2.86Å
51E89.1Confident88.4Confident104 Ų10471.2 Ų71.249%0.48633%0.333SS..Hα-helixtrans-61.6-46176.2-172.4179.397.500111.1Y4 K47 Y53 E54 V55Y4-E51 HydrophobicContact CE1-CB 4.43Å; Y4-E51 HydrophobicContact CE1-CG 3.92Å; Y4-E51 WeakPolarHBondContact CE1-OE1 3.3Å; Y4-E51 VanDerWaalsContact CZ-OE1 3.32Å; Y4-E51 PolarHBondContact OH-OE1 2.85Å; K47-E51 WeakPolarHBondContact O-CB 2.95Å; K47-E51 PolarHBondContact O-N 2.79Å; E51-Y53 VanDerWaalsContact C-N 3.3Å; E51-Y53 PolarHBondContact O-N 2.75Å; E51-E54 PolarHBondContact O-N 3.39Å; E51-V55 WeakPolarHBondContact O-CG2 3.35Å; E51-V55 PolarHBondContact O-N 2.9Å
52A89.8Confident88.4Confident0 Ų068.4 Ų68.40%032%0.319CS..Hα-helixtrans-57.5-43.6175.500000112.1Y4 I7 L8 E48 L56Y4-A52 VanDerWaalsContact CD1-CA 3.43Å; Y4-A52 HydrophobicContact CD1-CB 3.55Å; Y4-A52 HydrophobicContact CE1-CB 4.49Å; Y4-A52 HydrophobicContact CG-CB 3.91Å; I7-A52 HydrophobicContact CB-CB 4.2Å; I7-A52 HydrophobicContact CG2-CB 3.99Å; L8-A52 HydrophobicContact CD1-CB 3.68Å; L8-A52 HydrophobicContact CG-CB 3.74Å; E48-A52 VanDerWaalsContact O-CB 3.23Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 2.92Å; A52-L56 VanDerWaalsContact O-CB 3.26Å; A52-L56 WeakPolarHBondContact O-CB 3.25Å; A52-L56 VanDerWaalsContact O-CG 3.23Å; A52-L56 WeakPolarHBondContact O-CG 3.26Å; A52-L56 PolarHBondContact O-N 3.26Å
53Y91.2Very high88.2Confident58 Ų5874.3 Ų74.323%0.22735%0.346CS..Hα-helixtrans-65.6-44.2177.4173.7-100.4000111.8I19 K20 Y23 V49 A50 E51 V55 L56 S57I19-Y53 HydrophobicContact CG2-CD2 3.67Å; I19-Y53 HydrophobicContact CG2-CE2 4.19Å; K20-Y53 HydrophobicContact CB-CE2 3.93Å; K20-Y53 HydrophobicContact CG-CE2 4.17Å; Y23-Y53 HydrophobicContact CD1-CD1 4.45Å; Y23-Y53 HydrophobicContact CD1-CD2 4.35Å; Y23-Y53 HydrophobicContact CD1-CG 4.27Å; Y23-Y53 HydrophobicContact CD2-CD1 4.37Å; Y23-Y53 HydrophobicContact CD2-CD2 4.39Å; Y23-Y53 AromaticContact CD2-CG 3.85Å; Y23-Y53 HydrophobicContact CD2-CG 3.85Å; Y23-Y53 HydrophobicContact CG-CD1 4.3Å; Y23-Y53 AromaticContact CG-CD2 3.86Å; Y23-Y53 HydrophobicContact CG-CD2 3.86Å; Y23-Y53 AromaticContact CG-CG 3.73Å; Y23-Y53 HydrophobicContact CG-CG 3.73Å; V49-Y53 WeakPolarHBondContact O-CB 3.36Å; V49-Y53 PolarHBondContact O-N 2.85Å; A50-Y53 PolarHBondContact O-N 2.85Å; E51-Y53 VanDerWaalsContact C-N 3.3Å; E51-Y53 PolarHBondContact O-N 2.75Å; Y53-V55 VanDerWaalsContact C-N 3.31Å; Y53-V55 PolarHBondContact O-N 3.32Å; Y53-L56 PolarHBondContact O-N 2.95Å; Y53-S57 WeakPolarHBondContact O-CA 3.42Å; Y53-S57 WeakPolarHBondContact O-CB 3.18Å; Y53-S57 PolarHBondContact O-N 2.71Å
54E88.7Confident88Confident115 Ų11571.5 Ų71.554%0.53733%0.334SS..Hα-helixtrans-61.4-41.1-179.7-167.6-179.9101.700112A50 E51 K61A50-E54 PolarHBondContact O-N 2.86Å; E51-E54 PolarHBondContact O-N 3.39Å; E54-K61 IonicContact OE1-NZ 2.64Å; E54-K61 PolarHBondContact OE1-NZ 3.1Å
55V89Confident87.8Confident4 Ų465.7 Ų65.72%0.02431%0.309CS..Hα-helixtrans-72.7-45.4178175.90000111.8Y4 E51 Y53 K61 R62 Y65 L73Y4-V55 HydrophobicContact CD2-CB 3.88Å; Y4-V55 HydrophobicContact CD2-CG1 3.76Å; Y4-V55 HydrophobicContact CD2-CG2 4.25Å; Y4-V55 HydrophobicContact CE2-CB 3.89Å; Y4-V55 HydrophobicContact CE2-CG1 3.83Å; Y4-V55 HydrophobicContact CE2-CG2 3.73Å; E51-V55 WeakPolarHBondContact O-CG2 3.35Å; E51-V55 PolarHBondContact O-N 2.9Å; Y53-V55 VanDerWaalsContact C-N 3.31Å; Y53-V55 PolarHBondContact O-N 3.32Å; V55-K61 HydrophobicContact CB-CB 4.46Å; V55-K61 HydrophobicContact CG1-CB 4.19Å; V55-R62 WeakPolarHBondContact O-CA 3.44Å; V55-R62 PolarHBondContact O-N 3.41Å; V55-Y65 HydrophobicContact CG1-CD2 4.13Å; V55-Y65 HydrophobicContact CG1-CG 3.98Å; V55-L73 HydrophobicContact CG1-CD1 3.73Å; V55-L73 HydrophobicContact CG2-CD1 4.16Å; V55-L73 HydrophobicContact CG2-CD2 3.89Å
56L87Confident87.5Confident3 Ų368 Ų682%0.01632%0.324CS..Hα-helixtrans-81.3-25.8-174.5-64.4-172.8000114Y5 L8 I19 A52 Y53 D58 R62 Y65Y5-L56 HydrophobicContact CD1-CD1 3.51Å; Y5-L56 HydrophobicContact CD1-CD2 4.21Å; Y5-L56 HydrophobicContact CD2-CD1 4.4Å; Y5-L56 HydrophobicContact CD2-CD2 4.27Å; Y5-L56 HydrophobicContact CE1-CD1 3.69Å; Y5-L56 HydrophobicContact CE1-CD2 3.64Å; Y5-L56 HydrophobicContact CE1-CG 4.29Å; Y5-L56 HydrophobicContact CE2-CD2 3.74Å; Y5-L56 HydrophobicContact CG-CD1 3.91Å; Y5-L56 VanDerWaalsContact CZ-CD2 3.41Å; L8-L56 HydrophobicContact CD1-CD1 3.92Å; I19-L56 HydrophobicContact CD1-CB 3.82Å; I19-L56 HydrophobicContact CG1-CB 4.34Å; I19-L56 HydrophobicContact CG2-CB 4.09Å; A52-L56 VanDerWaalsContact O-CB 3.26Å; A52-L56 WeakPolarHBondContact O-CB 3.25Å; A52-L56 VanDerWaalsContact O-CG 3.23Å; A52-L56 WeakPolarHBondContact O-CG 3.26Å; A52-L56 PolarHBondContact O-N 3.26Å; Y53-L56 PolarHBondContact O-N 2.95Å; L56-D58 VanDerWaalsContact C-N 3.33Å; L56-R62 HydrophobicContact CD2-CG 4.11Å; L56-Y65 HydrophobicContact CD2-CD1 4.43Å
57S87.3Confident87.1Confident48 Ų4873.5 Ų73.534%0.33634%0.343SS..Hα-helixtrans-72.1-30.2175.5-178.30000111.7Y53Y53-S57 WeakPolarHBondContact O-CA 3.42Å; Y53-S57 WeakPolarHBondContact O-CB 3.18Å; Y53-S57 PolarHBondContact O-N 2.71Å
58D88Confident86.6Confident72 Ų7274.3 Ų74.339%0.38534%0.344SS..SBendtrans-93.1121.1178.8-172.1-86.8000110.3L56 H60 K61 R62L56-D58 VanDerWaalsContact C-N 3.33Å; D58-H60 VanDerWaalsContact C-N 3.25Å; D58-H60 PolarHBondContact O-N 3.06Å; D58-H60 WeakPolarHBondContact OD1-CA 3.48Å; D58-H60 VanDerWaalsContact OD1-CB 3.29Å; D58-H60 WeakPolarHBondContact OD1-CB 3.4Å; D58-H60 PolarHBondContact OD1-N 2.96Å; D58-K61 HydrophobicContact CB-CB 4.05Å; D58-K61 HydrophobicContact CB-CD 4.4Å; D58-K61 HydrophobicContact CB-CG 4.06Å; D58-K61 PolarHBondContact O-N 3.32Å; D58-K61 PolarHBondContact OD1-N 3.43Å; D58-R62 WeakPolarHBondContact O-CB 3.29Å; D58-R62 PolarHBondContact O-N 3.22Å
59K84.8Confident85.9Confident186 Ų18673 Ų7381%0.80935%0.345SS*.Hα-helixtrans-59.5-37.8-178.5-91.5-173.2175-175.50112.3E63K59-E63 WeakPolarHBondContact O-CB 3.44Å; K59-E63 PolarHBondContact O-N 2.86Å
60H85.9Confident84.7Confident131 Ų13176.5 Ų76.561%0.60636%0.358SS*.Hα-helixtrans-73.3-46.1-177.1-178.9-105.3000110.9D58 R62 E63 I64D58-H60 VanDerWaalsContact C-N 3.25Å; D58-H60 PolarHBondContact O-N 3.06Å; D58-H60 WeakPolarHBondContact OD1-CA 3.48Å; D58-H60 VanDerWaalsContact OD1-CB 3.29Å; D58-H60 WeakPolarHBondContact OD1-CB 3.4Å; D58-H60 PolarHBondContact OD1-N 2.96Å; H60-R62 VanDerWaalsContact C-N 3.31Å; H60-R62 PolarHBondContact O-N 3.03Å; H60-E63 PolarHBondContact O-N 3.44Å; H60-I64 WeakPolarHBondContact O-CG1 3.2Å; H60-I64 PolarHBondContact O-N 2.94Å
61K86.4Confident83.6Confident69 Ų6981.7 Ų81.730%0.338%0.377SS..Hα-helixtrans-62-39.4173.1-64.8-165.5178.1-159.30112.1E54 V55 D58 E63 I64 Y65E54-K61 IonicContact OE1-NZ 2.64Å; E54-K61 PolarHBondContact OE1-NZ 3.1Å; V55-K61 HydrophobicContact CB-CB 4.46Å; V55-K61 HydrophobicContact CG1-CB 4.19Å; D58-K61 HydrophobicContact CB-CB 4.05Å; D58-K61 HydrophobicContact CB-CD 4.4Å; D58-K61 HydrophobicContact CB-CG 4.06Å; D58-K61 PolarHBondContact O-N 3.32Å; D58-K61 PolarHBondContact OD1-N 3.43Å; K61-E63 VanDerWaalsContact C-N 3.33Å; K61-I64 PolarHBondContact O-N 3.49Å; K61-Y65 WeakPolarHBondContact O-CB 3.41Å; K61-Y65 PolarHBondContact O-N 3.34Å
62R86.2Confident82.1Confident49 Ų4978.8 Ų78.819%0.18537%0.374CS..Hα-helixtrans-62.5-40.9175.6-174.8176.2-177.8171.2-1.5111.5Y5 R12 A14 V55 L56 D58 H60 Y65 D66Y5-R62 PolarHBondContact OH-NE 3.06Å; Y5-R62 PolarHBondContact OH-NH2 2.94Å; R12-R62 PolarHBondContact O-NH2 3.29Å; A14-R62 PolarHBondContact O-NH1 3.31Å; A14-R62 VanDerWaalsContact O-NH1 3.1Å; A14-R62 PolarHBondContact O-NH2 2.89Å; V55-R62 WeakPolarHBondContact O-CA 3.44Å; V55-R62 PolarHBondContact O-N 3.41Å; L56-R62 HydrophobicContact CD2-CG 4.11Å; D58-R62 WeakPolarHBondContact O-CB 3.29Å; D58-R62 PolarHBondContact O-N 3.22Å; H60-R62 VanDerWaalsContact C-N 3.31Å; H60-R62 PolarHBondContact O-N 3.03Å; R62-Y65 WeakPolarHBondContact O-CB 3.41Å; R62-Y65 PolarHBondContact O-N 2.64Å; R62-D66 WeakPolarHBondContact O-CB 3.43Å; R62-D66 PolarHBondContact O-N 3.3Å
63E85.2Confident80.8Confident126 Ų12681.6 Ų81.659%0.58939%0.389SS*.Hα-helixtrans-65.9-42.5177.2-161.2-179.711200111.5K59 H60 K61 Y65 D66 R67K59-E63 WeakPolarHBondContact O-CB 3.44Å; K59-E63 PolarHBondContact O-N 2.86Å; H60-E63 PolarHBondContact O-N 3.44Å; K61-E63 VanDerWaalsContact C-N 3.33Å; E63-Y65 VanDerWaalsContact C-N 3.33Å; E63-Y65 PolarHBondContact O-N 2.64Å; E63-D66 PolarHBondContact O-N 3.3Å; E63-R67 WeakPolarHBondContact O-CB 3.37Å; E63-R67 PolarHBondContact O-N 2.81Å
64I85.1Confident79.2Confident53 Ų5383.9 Ų83.927%0.27241%0.409SS..Hα-helixtrans-60-45.1172.5-66.2163.5000110.4H60 K61 R67 Y68H60-I64 WeakPolarHBondContact O-CG1 3.2Å; H60-I64 PolarHBondContact O-N 2.94Å; K61-I64 PolarHBondContact O-N 3.49Å; I64-R67 PolarHBondContact O-N 2.8Å; I64-Y68 HydrophobicContact CG2-CD2 4Å; I64-Y68 WeakPolarHBondContact O-CB 3.41Å; I64-Y68 WeakPolarHBondContact O-CD2 3.06Å; I64-Y68 PolarHBondContact O-N 3.31Å
65Y84Confident77.2Confident16 Ų1681.9 Ų81.96%0.06342%0.419CS..Hα-helixtrans-61.7-43.7177.4-179.9-99.5000112.9S3 Y4 Y5 V55 L56 K61 R62 E63 R67 G69 R70 L73S3-Y65 VanDerWaalsContact CA-OH 3.25Å; S3-Y65 WeakPolarHBondContact CA-OH 3.38Å; Y4-Y65 HydrophobicContact CD2-CD1 4.43Å; Y4-Y65 AromaticContact CD2-CD2 3.38Å; Y4-Y65 HydrophobicContact CD2-CD2 3.38Å; Y4-Y65 HydrophobicContact CD2-CE1 4.21Å; Y4-Y65 AromaticContact CD2-CE2 3.03Å; Y4-Y65 HydrophobicContact CD2-CE2 3.03Å; Y4-Y65 HydrophobicContact CD2-CG 4.05Å; Y4-Y65 AromaticContact CD2-CZ 3.52Å; Y4-Y65 AromaticContact CE2-CD2 3.42Å; Y4-Y65 HydrophobicContact CE2-CD2 3.42Å; Y4-Y65 VanDerWaalsContact CE2-CD2 3.42Å; Y4-Y65 AromaticContact CE2-CE2 3.25Å; Y4-Y65 HydrophobicContact CE2-CE2 3.25Å; Y4-Y65 HydrophobicContact CE2-CG 4.4Å; Y4-Y65 AromaticContact CG-CE2 3.95Å; Y4-Y65 HydrophobicContact CG-CE2 3.95Å; Y4-Y65 PolarHBondContact N-OH 2.84Å; Y5-Y65 HydrophobicContact CD2-CE1 4.1Å; Y5-Y65 HydrophobicContact CE2-CD1 4.17Å; Y5-Y65 AromaticContact CE2-CE1 3.83Å; Y5-Y65 HydrophobicContact CE2-CE1 3.83Å; V55-Y65 HydrophobicContact CG1-CD2 4.13Å; V55-Y65 HydrophobicContact CG1-CG 3.98Å; L56-Y65 HydrophobicContact CD2-CD1 4.43Å; K61-Y65 WeakPolarHBondContact O-CB 3.41Å; K61-Y65 PolarHBondContact O-N 3.34Å; R62-Y65 WeakPolarHBondContact O-CB 3.41Å; R62-Y65 PolarHBondContact O-N 2.64Å; E63-Y65 VanDerWaalsContact C-N 3.33Å; E63-Y65 PolarHBondContact O-N 2.64Å; Y65-R67 VanDerWaalsContact C-N 3.28Å; Y65-R67 PolarHBondContact O-N 3.43Å; Y65-G69 WeakPolarHBondContact O-CA 3.34Å; Y65-G69 PolarHBondContact O-N 3.1Å; Y65-R70 HydrophobicContact CD2-CG 4.4Å; Y65-R70 HydrophobicContact CE2-CB 4.29Å; Y65-R70 HydrophobicContact CE2-CG 3.37Å; Y65-L73 HydrophobicContact CD2-CD1 3.53Å; Y65-L73 HydrophobicContact CG-CD1 4.09Å
66D81.5Confident75Confident110 Ų11089.9 Ų89.959%0.58849%0.485SS*.Hα-helixtrans-68.5-33.8179.8-137.3-104.3000110.7R62 E63R62-D66 WeakPolarHBondContact O-CB 3.43Å; R62-D66 PolarHBondContact O-N 3.3Å; E63-D66 PolarHBondContact O-N 3.3Å
67R81.3Confident74.4Confident184 Ų18494.2 Ų94.269%0.69451%0.509SS*.Hα-helixtrans-82.2-38.4-178-165.2176.9-144.2173.65.9114.4E63 I64 Y65E63-R67 WeakPolarHBondContact O-CB 3.37Å; E63-R67 PolarHBondContact O-N 2.81Å; I64-R67 PolarHBondContact O-N 2.8Å; Y65-R67 VanDerWaalsContact C-N 3.28Å; Y65-R67 PolarHBondContact O-N 3.43Å
68Y79.4Confident73.7Confident145 Ų14596.6 Ų96.657%0.56952%0.518SS*.Hα-helixtrans-117.3-2.8-173.2-62-82.3000113.7I64 G72I64-Y68 HydrophobicContact CG2-CD2 4Å; I64-Y68 WeakPolarHBondContact O-CB 3.41Å; I64-Y68 WeakPolarHBondContact O-CD2 3.06Å; I64-Y68 PolarHBondContact O-N 3.31Å; Y68-G72 PolarHBondContact O-N 3.04Å
69G73.1Confident72.9Confident27 Ų2798 Ų9828%0.27853%0.525SS..THydrogen-bonded Turntrans69-170.2-17700000113.8Y65 E71 G72Y65-G69 WeakPolarHBondContact O-CA 3.34Å; Y65-G69 PolarHBondContact O-N 3.1Å; G69-E71 PolarHBondContact O-N 2.66Å; G69-G72 PolarHBondContact O-N 3.02Å
70R66.6Low72.2Confident74 Ų7492.8 Ų92.828%0.27951%0.509SS..THydrogen-bonded Turntrans-59.5-31.1172.1-78.3-175.9-52150.329.7112.1A2 Y4 Y65 G72 L73 T74A2-R70 VanDerWaalsContact O-CD 3.26Å; A2-R70 WeakPolarHBondContact O-CD 3.19Å; A2-R70 PolarHBondContact O-NE 3.25Å; A2-R70 VanDerWaalsContact O-NE 3.1Å; A2-R70 PolarHBondContact O-NH1 3.01Å; Y4-R70 HydrophobicContact CE2-CG 4.4Å; Y65-R70 HydrophobicContact CD2-CG 4.4Å; Y65-R70 HydrophobicContact CE2-CB 4.29Å; Y65-R70 HydrophobicContact CE2-CG 3.37Å; R70-G72 VanDerWaalsContact C-N 3.31Å; R70-G72 PolarHBondContact O-N 3.35Å; R70-L73 PolarHBondContact O-N 3.47Å; R70-L73 VanDerWaalsContact O-N 3.1Å; R70-T74 PolarHBondContact O-N 3.23Å; R70-T74 PolarHBondContact O-OG1 2.84Å
71E65.5Low71.3Confident142 Ų14290.4 Ų90.466%0.66450%0.503SS*.THydrogen-bonded Turntrans-65.2-35.5-178.6-65.8175.390.400111.6G69 L73 T74 G75G69-E71 PolarHBondContact O-N 2.66Å; E71-L73 PolarHBondContact O-N 3.45Å; E71-T74 PolarHBondContact O-N 3.37Å; E71-G75 PolarHBondContact O-N 3.26Å
72G59.4Low70.3Confident42 Ų4291.9 Ų91.943%0.43352%0.516SS..THydrogen-bonded Turntrans-67.5-15.6173.300000115.4Y68 G69 R70Y68-G72 PolarHBondContact O-N 3.04Å; G69-G72 PolarHBondContact O-N 3.02Å; R70-G72 VanDerWaalsContact C-N 3.31Å; R70-G72 PolarHBondContact O-N 3.35Å
73L62.2Low69.2Low60 Ų6094.9 Ų94.931%0.31454%0.54SS..THydrogen-bonded Turntrans-104.4-17.3177.3-85.6141.8000113.5Y4 V55 Y65 R70 E71Y4-L73 HydrophobicContact CE2-CD1 4.22Å; V55-L73 HydrophobicContact CG1-CD1 3.73Å; V55-L73 HydrophobicContact CG2-CD1 4.16Å; V55-L73 HydrophobicContact CG2-CD2 3.89Å; Y65-L73 HydrophobicContact CD2-CD1 3.53Å; Y65-L73 HydrophobicContact CG-CD1 4.09Å; R70-L73 PolarHBondContact O-N 3.47Å; R70-L73 VanDerWaalsContact O-N 3.1Å; E71-L73 PolarHBondContact O-N 3.45Å
74T56.3Low68Low106 Ų10692.5 Ų92.565%0.6554%0.536SS*.SBendtrans-101.18.4-178.4-290000112.5R70 E71R70-T74 PolarHBondContact O-N 3.23Å; R70-T74 PolarHBondContact O-OG1 2.84Å; E71-T74 PolarHBondContact O-N 3.37Å
75G47Very low66.5Low72 Ų7295.8 Ų95.874%0.74256%0.558SS**  trans-101.138.3-17100000115.8E71E71-G75 PolarHBondContact O-N 3.26Å
76A42.3Very low65Low172 Ų172103.1 Ų103.1100%1.42160%0.603SS**  trans-132.40170.400000111

Retrieved 76 of 76 residues in 26.1 ms (Link to these results)

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