A0A087YEN1_POEFO Loading...

Costars family protein ABRACL

AlphaFold DB (A0A3B3VMP8), UniProt , Accession A0A087YEN1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 81 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
1M55.3Low84.2Confident174 Ų17466.1 Ų66.186%0.85735%0.35SS*.  0128.80-74.2169.9171.300108.8E44M1-E44 HydrophobicContact CE-CB 4.37Å; M1-E44 VanDerWaalsContact CE-OE2 3.32Å; M1-E44 WeakPolarHBondContact CE-OE2 3.41Å
2N76.7Confident84.8Confident122 Ų12270.1 Ų70.165%0.65237%0.365SS*.  trans-99.7103.2-180-124.5-48.4000107.8S4 H5 E6N2-S4 PolarHBondContact O-N 2.88Å; N2-H5 HydrophobicContact CB-CB 4.25Å; N2-H5 WeakPolarHBondContact O-CB 3.32Å; N2-H5 PolarHBondContact O-N 2.95Å; N2-E6 PolarHBondContact O-N 2.96Å
3V78.3Confident85.4Confident69 Ų6965.8 Ų65.842%0.41834%0.342SS..Hα-helixtrans-52-33.7-177.9178.30000111.7H5 E6 I7 A52V3-H5 PolarHBondContact O-N 2.82Å; V3-E6 PolarHBondContact O-N 3.43Å; V3-I7 HydrophobicContact CG1-CD1 3.96Å; V3-I7 HydrophobicContact CG1-CG1 4.42Å; V3-I7 WeakPolarHBondContact O-CD1 3.23Å; V3-I7 WeakPolarHBondContact O-CG1 3.36Å; V3-I7 PolarHBondContact O-N 3.12Å; V3-A52 HydrophobicContact CG1-CB 3.51Å
4S84.7Confident85.8Confident56 Ų5661.1 Ų61.139%0.39232%0.318SS..Hα-helixtrans-64.7-35.2176.1-58.30000113.7N2 N8 K56N2-S4 PolarHBondContact O-N 2.88Å; S4-N8 PolarHBondContact O-N 3.5Å; S4-N8 PolarHBondContact O-OD1 3.16Å; S4-K56 PolarHBondContact OG-NZ 3.38Å
5H87.9Confident86.1Confident118 Ų11862.3 Ų62.355%0.54632%0.322SS..Hα-helixtrans-71.8-42.3177.2-176.166.4000111.1N2 V3 I7 N8 L9N2-H5 HydrophobicContact CB-CB 4.25Å; N2-H5 WeakPolarHBondContact O-CB 3.32Å; N2-H5 PolarHBondContact O-N 2.95Å; V3-H5 PolarHBondContact O-N 2.82Å; H5-I7 VanDerWaalsContact C-N 3.27Å; H5-I7 PolarHBondContact O-N 2.74Å; H5-N8 PolarHBondContact O-N 2.84Å; H5-N8 VanDerWaalsContact O-N 3.12Å; H5-L9 PolarHBondContact O-N 2.8Å
6E88.1Confident86.5Confident31 Ų3165.6 Ų65.615%0.14533%0.329CS..Hα-helixtrans-61.4-37.7175-66.8179.682.400112N2 V3 N8 L9 L10 F43 T49N2-E6 PolarHBondContact O-N 2.96Å; V3-E6 PolarHBondContact O-N 3.43Å; E6-N8 VanDerWaalsContact C-N 3.33Å; E6-N8 PolarHBondContact O-N 3.41Å; E6-L9 PolarHBondContact O-N 3.39Å; E6-L10 WeakPolarHBondContact O-CB 3.19Å; E6-L10 PolarHBondContact O-N 3.48Å; E6-F43 HydrophobicContact CB-CD1 4.37Å; E6-F43 HydrophobicContact CB-CE1 4.08Å; E6-F43 VanDerWaalsContact O-CE1 3.31Å; E6-F43 WeakPolarHBondContact O-CE1 3.47Å; E6-T49 HydrophobicContact CB-CG2 3.74Å; E6-T49 PolarHBondContact OE1-OG1 3.34Å
7I90.3Very high86.8Confident1 Ų164.3 Ų64.31%0.00532%0.322CS..Hα-helixtrans-62.5-41.3174.7-68.2167.3000111.1V3 H5 L10 V11 T49 A52 A53 K56 I58V3-I7 HydrophobicContact CG1-CD1 3.96Å; V3-I7 HydrophobicContact CG1-CG1 4.42Å; V3-I7 WeakPolarHBondContact O-CD1 3.23Å; V3-I7 WeakPolarHBondContact O-CG1 3.36Å; V3-I7 PolarHBondContact O-N 3.12Å; H5-I7 VanDerWaalsContact C-N 3.27Å; H5-I7 PolarHBondContact O-N 2.74Å; I7-L10 WeakPolarHBondContact O-CB 3.43Å; I7-L10 PolarHBondContact O-N 2.91Å; I7-V11 WeakPolarHBondContact O-CG2 3.36Å; I7-V11 PolarHBondContact O-N 3.28Å; I7-T49 HydrophobicContact CG1-CG2 4.25Å; I7-A52 HydrophobicContact CD1-CB 4.04Å; I7-A53 HydrophobicContact CD1-CB 4.49Å; I7-A53 HydrophobicContact CG1-CB 4.09Å; I7-A53 HydrophobicContact CG2-CB 4.02Å; I7-K56 HydrophobicContact CD1-CD 3.84Å; I7-I58 HydrophobicContact CG2-CD1 3.54Å; I7-I58 HydrophobicContact CG2-CG2 4.24Å
8N90.6Very high87Confident96 Ų9661.4 Ų61.451%0.51331%0.311SS..Hα-helixtrans-63.9-44.7177.5-69.8-3.8000111.5S4 H5 E6 L10 V11 E12S4-N8 PolarHBondContact O-N 3.5Å; S4-N8 PolarHBondContact O-OD1 3.16Å; H5-N8 PolarHBondContact O-N 2.84Å; H5-N8 VanDerWaalsContact O-N 3.12Å; E6-N8 VanDerWaalsContact C-N 3.33Å; E6-N8 PolarHBondContact O-N 3.41Å; N8-L10 PolarHBondContact O-N 2.76Å; N8-V11 WeakPolarHBondContact O-CB 3.07Å; N8-V11 PolarHBondContact O-N 2.85Å; N8-V11 VanDerWaalsContact O-N 3.11Å; N8-E12 PolarHBondContact O-N 2.91Å
9L90.8Very high87.1Confident51 Ų5162.6 Ų62.627%0.26733%0.326SS..Hα-helixtrans-59-38.2174.3-69.1171.6000111.5H5 E6 V11 E12 E13 F43H5-L9 PolarHBondContact O-N 2.8Å; E6-L9 PolarHBondContact O-N 3.39Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-E12 PolarHBondContact O-N 3Å; L9-E13 WeakPolarHBondContact O-CG 3.45Å; L9-E13 PolarHBondContact O-N 3.4Å; L9-F43 HydrophobicContact CB-CE1 4.16Å; L9-F43 HydrophobicContact CB-CZ 3.9Å
10L91.1Very high87.2Confident0 Ų066.6 Ų66.60%034%0.341CS..Hα-helixtrans-64.6-41.1177.5177.172.9000110.8E6 I7 N8 E13 I14 F43 L46 T49 L50 A53 I59E6-L10 WeakPolarHBondContact O-CB 3.19Å; E6-L10 PolarHBondContact O-N 3.48Å; I7-L10 WeakPolarHBondContact O-CB 3.43Å; I7-L10 PolarHBondContact O-N 2.91Å; N8-L10 PolarHBondContact O-N 2.76Å; L10-E13 PolarHBondContact O-N 2.88Å; L10-I14 HydrophobicContact CD1-CD1 4.16Å; L10-I14 HydrophobicContact CD1-CG1 4.39Å; L10-I14 HydrophobicContact CD2-CD1 4.36Å; L10-I14 HydrophobicContact CG-CD1 3.8Å; L10-I14 HydrophobicContact CG-CG1 4.41Å; L10-I14 WeakPolarHBondContact O-CB 3.44Å; L10-I14 WeakPolarHBondContact O-CD1 3.38Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 2.93Å; L10-F43 HydrophobicContact CB-CE1 4.34Å; L10-F43 HydrophobicContact CB-CZ 3.85Å; L10-F43 HydrophobicContact CD1-CE2 4.36Å; L10-F43 HydrophobicContact CD1-CZ 4.42Å; L10-L46 HydrophobicContact CD1-CD1 3.88Å; L10-T49 HydrophobicContact CB-CG2 4.17Å; L10-T49 HydrophobicContact CD2-CG2 4.06Å; L10-L50 HydrophobicContact CD1-CD2 4.07Å; L10-L50 HydrophobicContact CD1-CG 4.49Å; L10-L50 HydrophobicContact CD2-CD2 3.89Å; L10-L50 HydrophobicContact CD2-CG 4.33Å; L10-A53 HydrophobicContact CD2-CB 3.91Å; L10-I59 HydrophobicContact CD2-CD1 4.21Å
11V91.9Very high86.9Confident9 Ų965.3 Ų65.36%0.05534%0.335CS..Hα-helixtrans-61-45.9175.3172.70000110.9I7 N8 L9 E13 I14 Q15 I58 L78I7-V11 WeakPolarHBondContact O-CG2 3.36Å; I7-V11 PolarHBondContact O-N 3.28Å; N8-V11 WeakPolarHBondContact O-CB 3.07Å; N8-V11 PolarHBondContact O-N 2.85Å; N8-V11 VanDerWaalsContact O-N 3.11Å; L9-V11 VanDerWaalsContact C-N 3.34Å; V11-E13 PolarHBondContact O-N 3.26Å; V11-I14 PolarHBondContact O-N 2.77Å; V11-Q15 WeakPolarHBondContact O-CG 3.48Å; V11-Q15 PolarHBondContact O-N 2.79Å; V11-I58 HydrophobicContact CG2-CG2 3.66Å; V11-L78 HydrophobicContact CB-CD1 4.22Å; V11-L78 HydrophobicContact CG1-CD1 3.84Å; V11-L78 HydrophobicContact CG1-CD2 3.87Å; V11-L78 HydrophobicContact CG1-CG 4.5Å; V11-L78 HydrophobicContact CG2-CD1 3.73Å
12E92Very high88.1Confident114 Ų11465.5 Ų65.553%0.53334%0.339SS..Hα-helixtrans-61.1-44177.3-68.7-176.887.800111.9N8 L9 Q15 R16N8-E12 PolarHBondContact O-N 2.91Å; L9-E12 PolarHBondContact O-N 3Å; E12-Q15 PolarHBondContact O-N 3.46Å; E12-R16 WeakPolarHBondContact O-CB 3.31Å; E12-R16 PolarHBondContact O-N 3.09Å
13E91.9Very high88.2Confident14 Ų1467.4 Ų67.47%0.06534%0.342CS..Hα-helixtrans-70.1-34.6178.6-68.2-66.5109.500112.2L9 L10 V11 Q15 R16 L17 R38 I42L9-E13 WeakPolarHBondContact O-CG 3.45Å; L9-E13 PolarHBondContact O-N 3.4Å; L10-E13 PolarHBondContact O-N 2.88Å; V11-E13 PolarHBondContact O-N 3.26Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-R16 PolarHBondContact O-N 2.79Å; E13-R16 IonicContact OE1-CZ 3.82Å; E13-R16 IonicContact OE1-NE 3.22Å; E13-R16 PolarHBondContact OE1-NE 2.82Å; E13-R16 IonicContact OE2-CZ 3.4Å; E13-R16 VanDerWaalsContact OE2-CZ 3.31Å; E13-R16 IonicContact OE2-NE 3.99Å; E13-R16 PolarHBondContact OE2-NE 3.3Å; E13-R16 IonicContact OE2-NH2 2.82Å; E13-R16 PolarHBondContact OE2-NH2 2.87Å; E13-L17 WeakPolarHBondContact O-CB 3.49Å; E13-L17 WeakPolarHBondContact O-CG 3.18Å; E13-L17 PolarHBondContact O-N 3.48Å; E13-R38 IonicContact OE1-NH1 2.82Å; E13-R38 PolarHBondContact OE1-NH1 2.91Å; E13-I42 HydrophobicContact CG-CD1 4Å
14I91.6Very high88.4Confident0 Ų069.6 Ų69.60%035%0.351CS..Hα-helixtrans-63.4-40.4171-70.1166.1000110.6L10 V11 G18 T26 V28 L33 I59 V76 L78L10-I14 HydrophobicContact CD1-CD1 4.16Å; L10-I14 HydrophobicContact CD1-CG1 4.39Å; L10-I14 HydrophobicContact CD2-CD1 4.36Å; L10-I14 HydrophobicContact CG-CD1 3.8Å; L10-I14 HydrophobicContact CG-CG1 4.41Å; L10-I14 WeakPolarHBondContact O-CB 3.44Å; L10-I14 WeakPolarHBondContact O-CD1 3.38Å; L10-I14 WeakPolarHBondContact O-CG1 3.27Å; L10-I14 PolarHBondContact O-N 2.93Å; V11-I14 PolarHBondContact O-N 2.77Å; I14-G18 WeakPolarHBondContact O-CA 3.44Å; I14-G18 PolarHBondContact O-N 3.4Å; I14-T26 HydrophobicContact CG2-CG2 3.81Å; I14-T26 VanDerWaalsContact O-CG2 3.23Å; I14-T26 WeakPolarHBondContact O-CG2 3.39Å; I14-V28 HydrophobicContact CB-CG1 4.15Å; I14-V28 HydrophobicContact CG1-CG1 3.78Å; I14-V28 HydrophobicContact CG2-CG1 3.88Å; I14-L33 HydrophobicContact CG1-CD1 4.06Å; I14-L33 HydrophobicContact CG1-CD2 4.15Å; I14-I59 HydrophobicContact CD1-CG2 3.78Å; I14-V76 HydrophobicContact CD1-CG1 4.02Å; I14-L78 HydrophobicContact CG2-CB 4.14Å
15Q90.8Very high88.6Confident80 Ų8069.7 Ų69.737%0.37435%0.345SS..Hα-helixtrans-68.3-34.6174.1-74174-23.400112.9V11 E12 E13 T26 L78 E81V11-Q15 WeakPolarHBondContact O-CG 3.48Å; V11-Q15 PolarHBondContact O-N 2.79Å; E12-Q15 PolarHBondContact O-N 3.46Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; Q15-T26 HydrophobicContact CG-CG2 4.38Å; Q15-L78 HydrophobicContact CG-CD2 3.93Å; Q15-E81 PolarHBondContact NE2-OE1 2.91Å
16R92Very high88.8Confident115 Ų11564.8 Ų64.843%0.43432%0.324SS..Hα-helixtrans-71.6-44.7179.1-174.5-179.67583.9-1.2112.6E12 E13 D36E12-R16 WeakPolarHBondContact O-CB 3.31Å; E12-R16 PolarHBondContact O-N 3.09Å; E13-R16 PolarHBondContact O-N 2.79Å; E13-R16 IonicContact OE1-CZ 3.82Å; E13-R16 IonicContact OE1-NE 3.22Å; E13-R16 PolarHBondContact OE1-NE 2.82Å; E13-R16 IonicContact OE2-CZ 3.4Å; E13-R16 VanDerWaalsContact OE2-CZ 3.31Å; E13-R16 IonicContact OE2-NE 3.99Å; E13-R16 PolarHBondContact OE2-NE 3.3Å; E13-R16 IonicContact OE2-NH2 2.82Å; E13-R16 PolarHBondContact OE2-NH2 2.87Å; R16-D36 IonicContact CZ-OD2 3.98Å; R16-D36 IonicContact NH1-OD2 3.05Å; R16-D36 VanDerWaalsContact NH2-CG 3.31Å; R16-D36 IonicContact NH2-OD1 3.04Å; R16-D36 PolarHBondContact NH2-OD1 2.75Å; R16-D36 IonicContact NH2-OD2 2.73Å; R16-D36 PolarHBondContact NH2-OD2 3.28Å
17L91.8Very high89Confident43 Ų4364.4 Ų64.423%0.22533%0.325CS..Hα-helixtrans-96.9-27.3-173.5-66.2169.3000112.8E13 V28 V32 L33 D36E13-L17 WeakPolarHBondContact O-CB 3.49Å; E13-L17 WeakPolarHBondContact O-CG 3.18Å; E13-L17 PolarHBondContact O-N 3.48Å; L17-V28 HydrophobicContact CB-CG2 3.92Å; L17-V32 HydrophobicContact CB-CG1 4.31Å; L17-L33 HydrophobicContact CD1-CD2 4.01Å; L17-D36 HydrophobicContact CD1-CB 3.87Å
18G89.3Confident89.1Confident12 Ų1264.7 Ų64.712%0.12433%0.326CS..  trans-79.6170.5179.100000112.9I14 S27I14-G18 WeakPolarHBondContact O-CA 3.44Å; I14-G18 PolarHBondContact O-N 3.4Å; G18-S27 CarbonylContact C-O 3.59Å; G18-S27 WeakPolarHBondContact CA-O 3.45Å
19S89.5Confident89.3Confident85 Ų8563.4 Ų63.459%0.59432%0.316SS*.EExtended strand (participates in β ladder)trans-128.7153.9176.3-64.80000109N21 S27S19-N21 PolarHBondContact O-N 3.05Å; S19-S27 PolarHBondContact N-O 3.22Å; S19-S27 PolarHBondContact O-N 2.87Å; S19-S27 PolarHBondContact O-OG 2.73Å
20K88.9Confident89.3Confident142 Ų14261 Ų6162%0.61730%0.303SS*.EExtended strand (participates in β ladder)trans-65.7130.9172.6-70.6-170.1167.2-161.30109.9D24 Q25K20-D24 IonicContact NZ-OD1 3.31Å; K20-D24 PolarHBondContact NZ-OD1 3.11Å; K20-Q25 CarbonylContact C-O 3.58Å; K20-Q25 WeakPolarHBondContact CA-O 3.5Å
21N81.5Confident89.3Confident39 Ų3961.2 Ų61.221%0.20931%0.306CS..  trans-83.5177.5169.97114.7000111.1S19 K23 D24 Q25S19-N21 PolarHBondContact O-N 3.05Å; N21-K23 PolarHBondContact O-N 3.05Å; N21-K23 WeakPolarHBondContact OD1-CA 3.32Å; N21-K23 WeakPolarHBondContact OD1-CB 3.16Å; N21-K23 PolarHBondContact OD1-N 3.04Å; N21-D24 PolarHBondContact O-N 3.35Å; N21-D24 PolarHBondContact OD1-N 3.04Å; N21-Q25 PolarHBondContact N-O 3.32Å; N21-Q25 PolarHBondContact OD1-N 2.99Å; N21-Q25 PolarHBondContact OD1-O 3.21Å
22D80Confident89.3Confident178 Ų17863.9 Ų63.995%0.95232%0.322SS*.THydrogen-bonded Turntrans-57.5-12177.5-64.3-95.9000115.1
23K78.5Confident89.2Confident162 Ų16258.4 Ų58.470%0.70430%0.296SS*.THydrogen-bonded Turntrans-102.915.2177.5-62.4-178.8176.9175.50112.9N21 Q25N21-K23 PolarHBondContact O-N 3.05Å; N21-K23 WeakPolarHBondContact OD1-CA 3.32Å; N21-K23 WeakPolarHBondContact OD1-CB 3.16Å; N21-K23 PolarHBondContact OD1-N 3.04Å; K23-Q25 HydrophobicContact CB-CG 4.21Å; K23-Q25 PolarHBondContact O-N 2.95Å; K23-Q25 VanDerWaalsContact O-N 3.12Å
24D82.9Confident89Confident116 Ų11660.9 Ų60.962%0.6231%0.307SS*.SBendtrans60.913.8-174.2-100.4-80000114.1K20 N21K20-D24 IonicContact NZ-OD1 3.31Å; K20-D24 PolarHBondContact NZ-OD1 3.11Å; N21-D24 PolarHBondContact O-N 3.35Å; N21-D24 PolarHBondContact OD1-N 3.04Å
25Q88.4Confident88.8Confident57 Ų5769.6 Ų69.627%0.26634%0.34SS..  trans-93.8138.8177.1-56.6-177.2-81.800110K20 N21 K23 S27 I77 L78K20-Q25 CarbonylContact C-O 3.58Å; K20-Q25 WeakPolarHBondContact CA-O 3.5Å; N21-Q25 PolarHBondContact N-O 3.32Å; N21-Q25 PolarHBondContact OD1-N 2.99Å; N21-Q25 PolarHBondContact OD1-O 3.21Å; K23-Q25 HydrophobicContact CB-CG 4.21Å; K23-Q25 PolarHBondContact O-N 2.95Å; K23-Q25 VanDerWaalsContact O-N 3.12Å; Q25-S27 PolarHBondContact O-N 2.9Å; Q25-I77 HydrophobicContact CB-CG2 4.07Å; Q25-L78 PolarHBondContact NE2-O 3.38Å
26T92.4Very high88.7Confident16 Ų1667.2 Ų67.210%0.09833%0.33CS..EExtended strand (participates in β ladder)trans-70.8125.2174.3-550000110I14 Q15 L78I14-T26 HydrophobicContact CG2-CG2 3.81Å; I14-T26 VanDerWaalsContact O-CG2 3.23Å; I14-T26 WeakPolarHBondContact O-CG2 3.39Å; Q15-T26 HydrophobicContact CG-CG2 4.38Å; T26-L78 VanDerWaalsContact O-CB 3.31Å; T26-L78 WeakPolarHBondContact O-CB 3.49Å; T26-L78 PolarHBondContact O-N 3.24Å
27S92.6Very high88.5Confident23 Ų2368.5 Ų68.516%0.16135%0.345CS..EExtended strand (participates in β ladder)trans-127.7143.2172.456.90000111.5G18 S19 Q25 V76G18-S27 CarbonylContact C-O 3.59Å; G18-S27 WeakPolarHBondContact CA-O 3.45Å; S19-S27 PolarHBondContact N-O 3.22Å; S19-S27 PolarHBondContact O-N 2.87Å; S19-S27 PolarHBondContact O-OG 2.73Å; Q25-S27 PolarHBondContact O-N 2.9Å; S27-V76 CarbonylContact C-O 3.52Å; S27-V76 VanDerWaalsContact CA-O 3.27Å; S27-V76 WeakPolarHBondContact CA-O 3.32Å
28V93.6Very high88.3Confident6 Ų673.2 Ų73.24%0.03636%0.36CS..EExtended strand (participates in β ladder)trans-137.9144176.567.60000110.2I14 L17 V32 L33 V76I14-V28 HydrophobicContact CB-CG1 4.15Å; I14-V28 HydrophobicContact CG1-CG1 3.78Å; I14-V28 HydrophobicContact CG2-CG1 3.88Å; L17-V28 HydrophobicContact CB-CG2 3.92Å; V28-V32 HydrophobicContact CG2-CB 4.15Å; V28-V32 HydrophobicContact CG2-CG1 4.15Å; V28-L33 HydrophobicContact CG1-CD1 3.5Å; V28-L33 VanDerWaalsContact CG1-CD1 3.5Å; V28-L33 HydrophobicContact CG1-CD2 4.03Å; V28-L33 HydrophobicContact CG1-CG 3.62Å; V28-L33 HydrophobicContact CG2-CG 4.22Å; V28-V76 HydrophobicContact CG1-CB 4.27Å; V28-V76 PolarHBondContact N-O 3.07Å; V28-V76 WeakPolarHBondContact O-CB 3.48Å; V28-V76 PolarHBondContact O-N 3.09Å
29K93.1Very high88.2Confident69 Ų6972.7 Ų72.730%0.335%0.354SS..EExtended strand (participates in β ladder)trans-70136.2175.1-71.5-179.7177.3-76.80110.8G31 V32 L33 D73 V74 D75K29-G31 PolarHBondContact O-N 3.28Å; K29-V32 HydrophobicContact CB-CB 4.46Å; K29-V32 HydrophobicContact CB-CG2 3.98Å; K29-V32 WeakPolarHBondContact O-CB 3.28Å; K29-V32 PolarHBondContact O-N 2.84Å; K29-L33 PolarHBondContact O-N 3.16Å; K29-D73 PolarHBondContact NZ-O 3.47Å; K29-D73 VanDerWaalsContact NZ-O 3.16Å; K29-D73 IonicContact NZ-OD1 2.94Å; K29-D73 PolarHBondContact NZ-OD1 3.14Å; K29-D73 IonicContact NZ-OD2 2.84Å; K29-D73 PolarHBondContact NZ-OD2 3.33Å; K29-V74 CarbonylContact C-O 3.56Å; K29-V74 WeakPolarHBondContact CA-O 3.48Å; K29-D75 WeakPolarHBondContact CG-OD1 3.3Å
30F92Very high88.1Confident0 Ų071.9 Ų71.90%035%0.353CS..Hα-helixtrans-56.3-40.2177.7171.2-104.8000112V32 L33 F34 L46 V47 L50 L66 H71 V74 V76F30-V32 PolarHBondContact O-N 2.94Å; F30-L33 PolarHBondContact O-N 3.44Å; F30-F34 HydrophobicContact CE1-CD2 4.38Å; F30-F34 HydrophobicContact CE2-CD2 4.4Å; F30-F34 HydrophobicContact CZ-CB 4.46Å; F30-F34 AromaticContact CZ-CD2 3.83Å; F30-F34 HydrophobicContact CZ-CD2 3.83Å; F30-F34 HydrophobicContact CZ-CG 4.47Å; F30-F34 WeakPolarHBondContact O-CB 3.39Å; F30-F34 PolarHBondContact O-N 3.12Å; F30-L46 HydrophobicContact CE2-CD2 4.25Å; F30-V47 HydrophobicContact CE2-CG2 4.39Å; F30-V47 HydrophobicContact CZ-CG2 4.19Å; F30-L50 HydrophobicContact CD2-CD1 3.66Å; F30-L50 HydrophobicContact CE2-CD1 3.53Å; F30-L66 HydrophobicContact CB-CD1 4.26Å; F30-L66 HydrophobicContact CD1-CB 4.17Å; F30-L66 HydrophobicContact CD2-CB 3.97Å; F30-L66 HydrophobicContact CD2-CD1 3.55Å; F30-L66 HydrophobicContact CD2-CG 4.3Å; F30-L66 HydrophobicContact CE1-CB 4.01Å; F30-L66 HydrophobicContact CE2-CB 3.79Å; F30-L66 HydrophobicContact CE2-CD1 4.04Å; F30-L66 HydrophobicContact CG-CB 4.14Å; F30-L66 HydrophobicContact CG-CD1 3.94Å; F30-L66 HydrophobicContact CG-CG 4.42Å; F30-L66 HydrophobicContact CZ-CB 3.81Å; F30-H71 WeakPolarHBondContact CB-O 3.19Å; F30-H71 HydrophobicContact CD1-CB 4.2Å; F30-H71 WeakPolarHBondContact CD1-O 3.42Å; F30-V74 PolarHBondContact N-O 2.96Å; F30-V76 HydrophobicContact CB-CG2 4.2Å
31G90.3Very high87.9Confident5 Ų572.1 Ų72.15%0.05236%0.361CS..Hα-helixtrans-61.8-29.4176.400000113K29 R35 D72K29-G31 PolarHBondContact O-N 3.28Å; G31-R35 WeakPolarHBondContact O-CB 3.45Å; G31-R35 WeakPolarHBondContact O-CD 3.38Å; G31-R35 WeakPolarHBondContact O-CG 2.96Å; G31-R35 PolarHBondContact O-N 3.48Å; G31-D72 WeakPolarHBondContact CA-O 3.41Å; G31-D72 PolarHBondContact N-O 2.99Å
32V92.1Very high88.2Confident65 Ų6573.6 Ų73.639%0.39437%0.368SS..Hα-helixtrans-73.1-47.6175.8175.80000110.4L17 V28 K29 F30 F34 R35 D36L17-V32 HydrophobicContact CB-CG1 4.31Å; V28-V32 HydrophobicContact CG2-CB 4.15Å; V28-V32 HydrophobicContact CG2-CG1 4.15Å; K29-V32 HydrophobicContact CB-CB 4.46Å; K29-V32 HydrophobicContact CB-CG2 3.98Å; K29-V32 WeakPolarHBondContact O-CB 3.28Å; K29-V32 PolarHBondContact O-N 2.84Å; F30-V32 PolarHBondContact O-N 2.94Å; V32-F34 PolarHBondContact O-N 2.85Å; V32-R35 PolarHBondContact O-N 2.76Å; V32-D36 WeakPolarHBondContact O-CB 3.33Å; V32-D36 PolarHBondContact O-N 3.01Å
33L90.4Very high88.4Confident0 Ų065.4 Ų65.40%032%0.324CS..Hα-helixtrans-58.6-39173.9-73171.2000111.9I14 L17 V28 K29 F30 C39 L46 L50 V76I14-L33 HydrophobicContact CG1-CD1 4.06Å; I14-L33 HydrophobicContact CG1-CD2 4.15Å; L17-L33 HydrophobicContact CD1-CD2 4.01Å; V28-L33 HydrophobicContact CG1-CD1 3.5Å; V28-L33 VanDerWaalsContact CG1-CD1 3.5Å; V28-L33 HydrophobicContact CG1-CD2 4.03Å; V28-L33 HydrophobicContact CG1-CG 3.62Å; V28-L33 HydrophobicContact CG2-CG 4.22Å; K29-L33 PolarHBondContact O-N 3.16Å; F30-L33 PolarHBondContact O-N 3.44Å; L33-C39 WeakPolarHBondContact O-CB 3.38Å; L33-L46 HydrophobicContact CB-CD2 4.06Å; L33-L50 HydrophobicContact CD1-CD2 4.45Å; L33-V76 HydrophobicContact CD1-CB 4.47Å; L33-V76 HydrophobicContact CD1-CG2 4.34Å
34F86.8Confident88.5Confident65 Ų6565.5 Ų65.529%0.28533%0.327SS..Hα-helixtrans-75-36.1-178.3-163.8-80.5000112.7F30 V32 D36 L46 Q68F30-F34 HydrophobicContact CE1-CD2 4.38Å; F30-F34 HydrophobicContact CE2-CD2 4.4Å; F30-F34 HydrophobicContact CZ-CB 4.46Å; F30-F34 AromaticContact CZ-CD2 3.83Å; F30-F34 HydrophobicContact CZ-CD2 3.83Å; F30-F34 HydrophobicContact CZ-CG 4.47Å; F30-F34 WeakPolarHBondContact O-CB 3.39Å; F30-F34 PolarHBondContact O-N 3.12Å; V32-F34 PolarHBondContact O-N 2.85Å; F34-D36 VanDerWaalsContact C-N 3.31Å; F34-L46 HydrophobicContact CB-CD2 4.29Å; F34-L46 HydrophobicContact CD2-CD2 4.1Å; F34-Q68 HydrophobicContact CD1-CG 3.88Å; F34-Q68 HydrophobicContact CE1-CB 4.36Å; F34-Q68 HydrophobicContact CE1-CG 3.65Å; F34-Q68 HydrophobicContact CE2-CB 4.43Å; F34-Q68 HydrophobicContact CG-CG 4.46Å; F34-Q68 HydrophobicContact CZ-CB 4.21Å; F34-Q68 VanDerWaalsContact CZ-CD 3.49Å; F34-Q68 HydrophobicContact CZ-CG 3.99Å; F34-Q68 VanDerWaalsContact CZ-OE1 3.3Å
35R87.3Confident88.6Confident183 Ų18362.6 Ų62.669%0.69132%0.319SS*.Hα-helixtrans-80.6-10.9178.3-69.9172.5-168.5-162.15.3113.2G31 V32 D37 D72G31-R35 WeakPolarHBondContact O-CB 3.45Å; G31-R35 WeakPolarHBondContact O-CD 3.38Å; G31-R35 WeakPolarHBondContact O-CG 2.96Å; G31-R35 PolarHBondContact O-N 3.48Å; V32-R35 PolarHBondContact O-N 2.76Å; R35-D37 PolarHBondContact O-N 2.82Å; R35-D72 IonicContact CZ-OD2 3.76Å; R35-D72 IonicContact NE-OD2 3.82Å; R35-D72 IonicContact NH2-OD2 2.87Å; R35-D72 PolarHBondContact NH2-OD2 3.34Å
36D89.9Confident88.5Confident30 Ų3060.7 Ų60.716%0.1631%0.311CS..  trans-75120.1177-175.7-82.1000110.6R16 L17 V32 F34 R38 C39 A40R16-D36 IonicContact CZ-OD2 3.98Å; R16-D36 IonicContact NH1-OD2 3.05Å; R16-D36 VanDerWaalsContact NH2-CG 3.31Å; R16-D36 IonicContact NH2-OD1 3.04Å; R16-D36 PolarHBondContact NH2-OD1 2.75Å; R16-D36 IonicContact NH2-OD2 2.73Å; R16-D36 PolarHBondContact NH2-OD2 3.28Å; L17-D36 HydrophobicContact CD1-CB 3.87Å; V32-D36 WeakPolarHBondContact O-CB 3.33Å; V32-D36 PolarHBondContact O-N 3.01Å; F34-D36 VanDerWaalsContact C-N 3.31Å; D36-R38 PolarHBondContact O-N 2.95Å; D36-R38 VanDerWaalsContact OD1-CA 3.28Å; D36-R38 WeakPolarHBondContact OD1-CA 3.44Å; D36-R38 WeakPolarHBondContact OD1-CB 3.49Å; D36-R38 PolarHBondContact OD1-N 3.26Å; D36-C39 HydrophobicContact CB-CB 4.24Å; D36-C39 PolarHBondContact O-N 3.28Å; D36-C39 PolarHBondContact OD1-N 3.22Å; D36-A40 PolarHBondContact O-N 3.34Å
37D87.5Confident88.3Confident142 Ų14262.2 Ų62.276%0.75932%0.32SS*.Hα-helixtrans-57.9-30.5-179.7-70.1-81.9000112.8R35 N41R35-D37 PolarHBondContact O-N 2.82Å; D37-N41 VanDerWaalsContact O-CB 3.28Å; D37-N41 WeakPolarHBondContact O-CB 3.49Å; D37-N41 PolarHBondContact O-N 2.95Å; D37-N41 VanDerWaalsContact O-N 3.08Å
38R88.1Confident88.1Confident142 Ų14263.1 Ų63.154%0.53633%0.332SS..Hα-helixtrans-71.2-49.2-179.6-148.5-172.7-134.9-172.73.5109.8E13 D36 A40 N41 I42E13-R38 IonicContact OE1-NH1 2.82Å; E13-R38 PolarHBondContact OE1-NH1 2.91Å; D36-R38 PolarHBondContact O-N 2.95Å; D36-R38 VanDerWaalsContact OD1-CA 3.28Å; D36-R38 WeakPolarHBondContact OD1-CA 3.44Å; D36-R38 WeakPolarHBondContact OD1-CB 3.49Å; D36-R38 PolarHBondContact OD1-N 3.26Å; R38-A40 VanDerWaalsContact C-N 3.31Å; R38-A40 PolarHBondContact O-N 3.34Å; R38-N41 PolarHBondContact O-N 3.27Å; R38-N41 VanDerWaalsContact O-N 3.13Å; R38-I42 WeakPolarHBondContact O-CD1 3.08Å; R38-I42 WeakPolarHBondContact O-CG1 3.4Å; R38-I42 WeakPolarHBondContact O-CG2 3.19Å; R38-I42 PolarHBondContact O-N 2.88Å
39C87.5Confident88Confident1 Ų163 Ų631%0.00733%0.332CS..Hα-helixtrans-57.5-43.7174.3-74.10000111.8L33 D36 N41 F43L33-C39 WeakPolarHBondContact O-CB 3.38Å; D36-C39 HydrophobicContact CB-CB 4.24Å; D36-C39 PolarHBondContact O-N 3.28Å; D36-C39 PolarHBondContact OD1-N 3.22Å; C39-N41 VanDerWaalsContact C-N 3.26Å; C39-N41 PolarHBondContact O-N 3.03Å; C39-F43 HydrophobicContact CB-CD2 4.06Å; C39-F43 HydrophobicContact CB-CE2 4.4Å; C39-F43 WeakPolarHBondContact O-CB 3.36Å; C39-F43 VanDerWaalsContact O-CD2 3.32Å; C39-F43 WeakPolarHBondContact O-CD2 3.49Å; C39-F43 PolarHBondContact O-N 3.45Å
40A85.8Confident87.9Confident68 Ų6859.8 Ų59.856%0.56232%0.318SS*.Hα-helixtrans-63.7-29.7177.500000113.4D36 R38D36-A40 PolarHBondContact O-N 3.34Å; R38-A40 VanDerWaalsContact C-N 3.31Å; R38-A40 PolarHBondContact O-N 3.34Å
41N85.8Confident87.8Confident148 Ų14865.8 Ų65.879%0.79134%0.344SS*.Hα-helixtrans-90.7-29.3-178.2-160.248.1000113.6D37 R38 C39D37-N41 VanDerWaalsContact O-CB 3.28Å; D37-N41 WeakPolarHBondContact O-CB 3.49Å; D37-N41 PolarHBondContact O-N 2.95Å; D37-N41 VanDerWaalsContact O-N 3.08Å; R38-N41 PolarHBondContact O-N 3.27Å; R38-N41 VanDerWaalsContact O-N 3.13Å; C39-N41 VanDerWaalsContact C-N 3.26Å; C39-N41 PolarHBondContact O-N 3.03Å
42I86.4Confident87.8Confident69 Ų6966.7 Ų66.735%0.35435%0.351SS..Hα-helixtrans-88.8-3117867-162.8000112.9E13 R38E13-I42 HydrophobicContact CG-CD1 4Å; R38-I42 WeakPolarHBondContact O-CD1 3.08Å; R38-I42 WeakPolarHBondContact O-CG1 3.4Å; R38-I42 WeakPolarHBondContact O-CG2 3.19Å; R38-I42 PolarHBondContact O-N 2.88Å
43F86.1Confident87.8Confident7 Ų763.6 Ų63.63%0.03133%0.332CS..  trans-104.9109.5180-59.4-63.4000110.6E6 L9 L10 C39 A45 L46 T49E6-F43 HydrophobicContact CB-CD1 4.37Å; E6-F43 HydrophobicContact CB-CE1 4.08Å; E6-F43 VanDerWaalsContact O-CE1 3.31Å; E6-F43 WeakPolarHBondContact O-CE1 3.47Å; L9-F43 HydrophobicContact CB-CE1 4.16Å; L9-F43 HydrophobicContact CB-CZ 3.9Å; L10-F43 HydrophobicContact CB-CE1 4.34Å; L10-F43 HydrophobicContact CB-CZ 3.85Å; L10-F43 HydrophobicContact CD1-CE2 4.36Å; L10-F43 HydrophobicContact CD1-CZ 4.42Å; C39-F43 HydrophobicContact CB-CD2 4.06Å; C39-F43 HydrophobicContact CB-CE2 4.4Å; C39-F43 WeakPolarHBondContact O-CB 3.36Å; C39-F43 VanDerWaalsContact O-CD2 3.32Å; C39-F43 WeakPolarHBondContact O-CD2 3.49Å; C39-F43 PolarHBondContact O-N 3.45Å; F43-A45 PolarHBondContact O-N 3.02Å; F43-L46 HydrophobicContact CB-CB 4.23Å; F43-L46 HydrophobicContact CB-CD1 4.36Å; F43-L46 HydrophobicContact CD2-CD1 3.55Å; F43-L46 HydrophobicContact CE2-CD1 4.07Å; F43-L46 HydrophobicContact CG-CD1 4.05Å; F43-T49 HydrophobicContact CD1-CG2 4.25Å; F43-T49 HydrophobicContact CE1-CG2 4.06Å
44E80.5Confident87.9Confident164 Ų16466.2 Ų66.277%0.76634%0.344SS*.THydrogen-bonded Turntrans-60.7-34.7171.4-170.7179.810300111.2M1M1-E44 HydrophobicContact CE-CB 4.37Å; M1-E44 VanDerWaalsContact CE-OE2 3.32Å; M1-E44 WeakPolarHBondContact CE-OE2 3.41Å
45A84.7Confident88.1Confident55 Ų5572.2 Ų72.246%0.45537%0.37SS..THydrogen-bonded Turntrans-142.383176.800000111.7F43 V47 G48 T49F43-A45 PolarHBondContact O-N 3.02Å; A45-V47 PolarHBondContact O-N 3.09Å; A45-G48 WeakPolarHBondContact O-CA 3.39Å; A45-G48 PolarHBondContact O-N 3.19Å; A45-T49 PolarHBondContact O-N 3.38Å; A45-T49 VanDerWaalsContact O-N 3.14Å; A45-T49 PolarHBondContact O-OG1 2.87Å
46L85.9Confident88.3Confident16 Ų1668.6 Ų68.68%0.08436%0.359CS..Hα-helixtrans-51.3-43.1178.9-17769.3000112.6L10 F30 L33 F34 F43 G48 T49 L50L10-L46 HydrophobicContact CD1-CD1 3.88Å; F30-L46 HydrophobicContact CE2-CD2 4.25Å; L33-L46 HydrophobicContact CB-CD2 4.06Å; F34-L46 HydrophobicContact CB-CD2 4.29Å; F34-L46 HydrophobicContact CD2-CD2 4.1Å; F43-L46 HydrophobicContact CB-CB 4.23Å; F43-L46 HydrophobicContact CB-CD1 4.36Å; F43-L46 HydrophobicContact CD2-CD1 3.55Å; F43-L46 HydrophobicContact CE2-CD1 4.07Å; F43-L46 HydrophobicContact CG-CD1 4.05Å; L46-G48 VanDerWaalsContact C-N 3.28Å; L46-G48 PolarHBondContact O-N 3.17Å; L46-T49 PolarHBondContact O-N 3.19Å; L46-L50 HydrophobicContact CD1-CD1 4.49Å; L46-L50 HydrophobicContact CD2-CD1 4.37Å; L46-L50 HydrophobicContact CG-CD1 3.88Å; L46-L50 HydrophobicContact CG-CG 4.38Å; L46-L50 WeakPolarHBondContact O-CB 3.28Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 2.95Å
47V87.7Confident88.3Confident49 Ų4975 Ų7530%0.29739%0.385SS..Hα-helixtrans-62.2-35.5178.4-1780000111.8F30 A45 K51 L65F30-V47 HydrophobicContact CE2-CG2 4.39Å; F30-V47 HydrophobicContact CZ-CG2 4.19Å; A45-V47 PolarHBondContact O-N 3.09Å; V47-K51 WeakPolarHBondContact O-CB 3.06Å; V47-K51 PolarHBondContact O-N 3.24Å; V47-L65 HydrophobicContact CG1-CD2 4.35Å
48G89.1Confident88.6Confident41 Ų4169.7 Ų69.742%0.42336%0.357SS..Hα-helixtrans-66.1-45.9175.700000111.8A45 L46 K51 A52A45-G48 WeakPolarHBondContact O-CA 3.39Å; A45-G48 PolarHBondContact O-N 3.19Å; L46-G48 VanDerWaalsContact C-N 3.28Å; L46-G48 PolarHBondContact O-N 3.17Å; G48-K51 PolarHBondContact O-N 3.13Å; G48-A52 PolarHBondContact O-N 3.08Å
49T90.6Very high88.8Confident5 Ų563 Ų633%0.03133%0.332CS..Hα-helixtrans-64.6-43.9177.8-51.80000111.5E6 I7 L10 F43 A45 L46 K51 A52 A53E6-T49 HydrophobicContact CB-CG2 3.74Å; E6-T49 PolarHBondContact OE1-OG1 3.34Å; I7-T49 HydrophobicContact CG1-CG2 4.25Å; L10-T49 HydrophobicContact CB-CG2 4.17Å; L10-T49 HydrophobicContact CD2-CG2 4.06Å; F43-T49 HydrophobicContact CD1-CG2 4.25Å; F43-T49 HydrophobicContact CE1-CG2 4.06Å; A45-T49 PolarHBondContact O-N 3.38Å; A45-T49 VanDerWaalsContact O-N 3.14Å; A45-T49 PolarHBondContact O-OG1 2.87Å; L46-T49 PolarHBondContact O-N 3.19Å; T49-K51 PolarHBondContact O-N 2.91Å; T49-A52 PolarHBondContact O-N 3.44Å; T49-A53 WeakPolarHBondContact O-CB 3.18Å; T49-A53 PolarHBondContact O-N 3.01Å
50L90.6Very high89Confident1 Ų166.3 Ų66.31%0.00535%0.349CS..Hα-helixtrans-58.3-45.4173.4-73.3164.6000111.4L10 F30 L33 L46 A52 A53 K54 I59 F61 L66 V76L10-L50 HydrophobicContact CD1-CD2 4.07Å; L10-L50 HydrophobicContact CD1-CG 4.49Å; L10-L50 HydrophobicContact CD2-CD2 3.89Å; L10-L50 HydrophobicContact CD2-CG 4.33Å; F30-L50 HydrophobicContact CD2-CD1 3.66Å; F30-L50 HydrophobicContact CE2-CD1 3.53Å; L33-L50 HydrophobicContact CD1-CD2 4.45Å; L46-L50 HydrophobicContact CD1-CD1 4.49Å; L46-L50 HydrophobicContact CD2-CD1 4.37Å; L46-L50 HydrophobicContact CG-CD1 3.88Å; L46-L50 HydrophobicContact CG-CG 4.38Å; L46-L50 WeakPolarHBondContact O-CB 3.28Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 2.95Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.38Å; L50-A53 PolarHBondContact O-N 3.02Å; L50-K54 WeakPolarHBondContact O-CB 3.5Å; L50-K54 PolarHBondContact O-N 3.29Å; L50-I59 HydrophobicContact CB-CD1 4.2Å; L50-I59 HydrophobicContact CD2-CD1 3.46Å; L50-I59 VanDerWaalsContact CD2-CD1 3.46Å; L50-I59 HydrophobicContact CG-CD1 4.43Å; L50-I59 WeakPolarHBondContact O-CD1 3.37Å; L50-F61 HydrophobicContact CB-CE1 4.25Å; L50-L66 HydrophobicContact CD1-CD1 4.07Å; L50-V76 HydrophobicContact CD2-CG1 3.97Å; L50-V76 HydrophobicContact CD2-CG2 4.33Å
51K90.3Very high89.3Confident126 Ų12663.5 Ų63.555%0.54832%0.324SS..Hα-helixtrans-63.1-40.3178-168175.8-173.8174.70111.8V47 G48 T49 K55V47-K51 WeakPolarHBondContact O-CB 3.06Å; V47-K51 PolarHBondContact O-N 3.24Å; G48-K51 PolarHBondContact O-N 3.13Å; T49-K51 PolarHBondContact O-N 2.91Å; K51-K55 WeakPolarHBondContact O-CB 3.32Å; K51-K55 PolarHBondContact O-N 3.03Å
52A91.1Very high89.4Confident24 Ų2464.2 Ų64.220%0.19832%0.323CS..Hα-helixtrans-67-43.9176.500000112V3 I7 G48 T49 L50 K55 K56V3-A52 HydrophobicContact CG1-CB 3.51Å; I7-A52 HydrophobicContact CD1-CB 4.04Å; G48-A52 PolarHBondContact O-N 3.08Å; T49-A52 PolarHBondContact O-N 3.44Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.38Å; A52-K55 PolarHBondContact O-N 2.87Å; A52-K56 WeakPolarHBondContact O-CG 3.48Å; A52-K56 PolarHBondContact O-N 3.11Å; A52-K56 VanDerWaalsContact O-N 3.09Å
53A92.3Very high89.2Confident0 Ų063 Ų630%033%0.327CS..Hα-helixtrans-61.9-43.417600000111.7I7 L10 T49 L50 K56 K57 I58 I59I7-A53 HydrophobicContact CD1-CB 4.49Å; I7-A53 HydrophobicContact CG1-CB 4.09Å; I7-A53 HydrophobicContact CG2-CB 4.02Å; L10-A53 HydrophobicContact CD2-CB 3.91Å; T49-A53 WeakPolarHBondContact O-CB 3.18Å; T49-A53 PolarHBondContact O-N 3.01Å; L50-A53 PolarHBondContact O-N 3.02Å; A53-K56 CarbonylContact O-C 3.43Å; A53-K56 PolarHBondContact O-N 3.02Å; A53-K57 PolarHBondContact O-N 3.46Å; A53-K57 VanDerWaalsContact O-N 3.17Å; A53-I58 PolarHBondContact O-N 2.72Å; A53-I59 HydrophobicContact CB-CD1 3.72Å; A53-I59 HydrophobicContact CB-CG1 3.69Å; A53-I59 HydrophobicContact CB-CG2 4.37Å
54K91.4Very high88.8Confident55 Ų5571.1 Ų71.124%0.23937%0.365CS..Hα-helixtrans-63.1-42.6175.3-175.1169-175.5167.90112L50 K56 K57 I59 D60 F61 G63L50-K54 WeakPolarHBondContact O-CB 3.5Å; L50-K54 PolarHBondContact O-N 3.29Å; K54-K56 PolarHBondContact O-N 3.47Å; K54-K57 WeakPolarHBondContact O-CA 3.31Å; K54-K57 PolarHBondContact O-N 2.83Å; K54-I59 HydrophobicContact CB-CG1 4.15Å; K54-D60 IonicContact NZ-OD1 4Å; K54-F61 HydrophobicContact CB-CE1 3.95Å; K54-F61 HydrophobicContact CB-CZ 4.49Å; K54-F61 HydrophobicContact CD-CD1 3.92Å; K54-F61 HydrophobicContact CD-CD2 4.35Å; K54-F61 HydrophobicContact CD-CE1 3.48Å; K54-F61 VanDerWaalsContact CD-CE1 3.48Å; K54-F61 HydrophobicContact CD-CE2 3.93Å; K54-F61 HydrophobicContact CD-CG 4.34Å; K54-F61 HydrophobicContact CD-CZ 3.48Å; K54-F61 VanDerWaalsContact CD-CZ 3.48Å; K54-F61 HydrophobicContact CG-CE1 4.29Å; K54-F61 PolarHBondContact NZ-O 3.45Å; K54-G63 PolarHBondContact NZ-O 2.99Å
55K91.1Very high88.7Confident191 Ų19167.9 Ų67.983%0.8335%0.353SS*.Hα-helixtrans-61.1-32.1175.4-171174.4-178.7178.10112.5K51 A52 K57K51-K55 WeakPolarHBondContact O-CB 3.32Å; K51-K55 PolarHBondContact O-N 3.03Å; A52-K55 PolarHBondContact O-N 2.87Å; K55-K57 VanDerWaalsContact C-N 3.29Å
56K91.4Very high88.6Confident107 Ų10765.5 Ų65.547%0.46533%0.332SS..THydrogen-bonded Turntrans-82.7-0.5173.5-67.6-167.4-175-175.10113.9S4 I7 A52 A53 K54 I58S4-K56 PolarHBondContact OG-NZ 3.38Å; I7-K56 HydrophobicContact CD1-CD 3.84Å; A52-K56 WeakPolarHBondContact O-CG 3.48Å; A52-K56 PolarHBondContact O-N 3.11Å; A52-K56 VanDerWaalsContact O-N 3.09Å; A53-K56 CarbonylContact O-C 3.43Å; A53-K56 PolarHBondContact O-N 3.02Å; K54-K56 PolarHBondContact O-N 3.47Å; K56-I58 HydrophobicContact CB-CD1 3.72Å; K56-I58 HydrophobicContact CB-CG1 3.95Å; K56-I58 HydrophobicContact CD-CD1 4.01Å; K56-I58 PolarHBondContact O-N 2.72Å
57K91.3Very high88.4Confident163 Ų16370 Ų7071%0.70936%0.355SS*.THydrogen-bonded Turntrans5833.8-175.8-53.3-178.4178-1760113.4A53 K54 K55A53-K57 PolarHBondContact O-N 3.46Å; A53-K57 VanDerWaalsContact O-N 3.17Å; K54-K57 WeakPolarHBondContact O-CA 3.31Å; K54-K57 PolarHBondContact O-N 2.83Å; K55-K57 VanDerWaalsContact C-N 3.29Å
58I92.3Very high87.9Confident32 Ų3273.8 Ų73.816%0.16437%0.37CS..SBendtrans-87.9-36.3175.9-65.6168.3000109.9I7 V11 A53 K56 L78 L79 K80I7-I58 HydrophobicContact CG2-CD1 3.54Å; I7-I58 HydrophobicContact CG2-CG2 4.24Å; V11-I58 HydrophobicContact CG2-CG2 3.66Å; A53-I58 PolarHBondContact O-N 2.72Å; K56-I58 HydrophobicContact CB-CD1 3.72Å; K56-I58 HydrophobicContact CB-CG1 3.95Å; K56-I58 HydrophobicContact CD-CD1 4.01Å; K56-I58 PolarHBondContact O-N 2.72Å; I58-L78 HydrophobicContact CG2-CD1 4.32Å; I58-L79 WeakPolarHBondContact O-CA 3.44Å; I58-L79 WeakPolarHBondContact O-CB 3.32Å; I58-L79 PolarHBondContact O-N 3.45Å; I58-K80 PolarHBondContact O-N 2.98Å; I58-K80 VanDerWaalsContact O-N 3.09Å
59I93.3Very high87.5Confident1 Ų174.4 Ų74.41%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-125.4163.3173.266.9174000110.1L10 I14 L50 A53 K54 F61 V76 I77 L78L10-I59 HydrophobicContact CD2-CD1 4.21Å; I14-I59 HydrophobicContact CD1-CG2 3.78Å; L50-I59 HydrophobicContact CB-CD1 4.2Å; L50-I59 HydrophobicContact CD2-CD1 3.46Å; L50-I59 VanDerWaalsContact CD2-CD1 3.46Å; L50-I59 HydrophobicContact CG-CD1 4.43Å; L50-I59 WeakPolarHBondContact O-CD1 3.37Å; A53-I59 HydrophobicContact CB-CD1 3.72Å; A53-I59 HydrophobicContact CB-CG1 3.69Å; A53-I59 HydrophobicContact CB-CG2 4.37Å; K54-I59 HydrophobicContact CB-CG1 4.15Å; I59-F61 HydrophobicContact CD1-CD1 4.15Å; I59-F61 HydrophobicContact CD1-CE1 4.24Å; I59-V76 HydrophobicContact CB-CG1 4.15Å; I59-V76 HydrophobicContact CD1-CG1 3.83Å; I59-V76 HydrophobicContact CG1-CG1 4.5Å; I59-V76 HydrophobicContact CG2-CG1 4.45Å; I59-I77 CarbonylContact C-O 3.58Å; I59-I77 WeakPolarHBondContact CA-O 3.45Å; I59-I77 WeakPolarHBondContact CB-O 3.34Å; I59-L78 HydrophobicContact CG2-CD1 3.97Å
60D92.4Very high87.3Confident71 Ų7179.8 Ų79.838%0.3841%0.409SS..EExtended strand (participates in β ladder)trans-136.1151.6166.7-161.153.4000110.7K54 V76 I77 L79K54-D60 IonicContact NZ-OD1 4Å; D60-V76 CarbonylContact O-C 3.58Å; D60-I77 PolarHBondContact N-O 3.35Å; D60-I77 PolarHBondContact O-N 3.18Å; D60-L79 HydrophobicContact CB-CD1 3.88Å; D60-L79 HydrophobicContact CB-CD2 4.16Å; D60-L79 HydrophobicContact CB-CG 4.01Å
61F91.9Very high87.3Confident8 Ų881.7 Ų81.74%0.03542%0.418CS..EExtended strand (participates in β ladder)trans-156.1155.2176.456.3-103.2000109.5L50 K54 I59 G63 L66 V74 D75 V76L50-F61 HydrophobicContact CB-CE1 4.25Å; K54-F61 HydrophobicContact CB-CE1 3.95Å; K54-F61 HydrophobicContact CB-CZ 4.49Å; K54-F61 HydrophobicContact CD-CD1 3.92Å; K54-F61 HydrophobicContact CD-CD2 4.35Å; K54-F61 HydrophobicContact CD-CE1 3.48Å; K54-F61 VanDerWaalsContact CD-CE1 3.48Å; K54-F61 HydrophobicContact CD-CE2 3.93Å; K54-F61 HydrophobicContact CD-CG 4.34Å; K54-F61 HydrophobicContact CD-CZ 3.48Å; K54-F61 VanDerWaalsContact CD-CZ 3.48Å; K54-F61 HydrophobicContact CG-CE1 4.29Å; K54-F61 PolarHBondContact NZ-O 3.45Å; I59-F61 HydrophobicContact CD1-CD1 4.15Å; I59-F61 HydrophobicContact CD1-CE1 4.24Å; F61-G63 WeakPolarHBondContact CE2-O 3.5Å; F61-G63 PolarHBondContact O-N 3.3Å; F61-L66 HydrophobicContact CB-CD1 4.45Å; F61-L66 HydrophobicContact CD1-CD1 3.97Å; F61-L66 HydrophobicContact CD2-CD1 3.74Å; F61-L66 HydrophobicContact CD2-CD2 3.86Å; F61-L66 HydrophobicContact CD2-CG 3.76Å; F61-L66 HydrophobicContact CE1-CD1 4.07Å; F61-L66 HydrophobicContact CE2-CD1 3.86Å; F61-L66 HydrophobicContact CE2-CD2 4.24Å; F61-L66 HydrophobicContact CE2-CG 3.71Å; F61-L66 HydrophobicContact CG-CD1 3.81Å; F61-L66 HydrophobicContact CG-CD2 4.48Å; F61-L66 HydrophobicContact CG-CG 4.35Å; F61-L66 HydrophobicContact CZ-CD1 4.02Å; F61-L66 HydrophobicContact CZ-CG 4.23Å; F61-V74 HydrophobicContact CB-CG1 4.13Å; F61-D75 WeakPolarHBondContact CA-O 3.37Å; F61-D75 WeakPolarHBondContact CB-O 3.38Å; F61-V76 HydrophobicContact CB-CG2 4.18Å
62Q86.8Confident87.1Confident164 Ų16477.2 Ų77.277%0.76640%0.4SS*.SBendtrans-72.3123.5-179.4-165.8172.9-67.300111.1V74Q62-V74 HydrophobicContact CB-CG1 4.16Å
63G82.5Confident87Confident42 Ų4281.6 Ų81.643%0.43342%0.42SS..SBendtrans103.3169-17900000114.7K54 F61K54-G63 PolarHBondContact NZ-O 2.99Å; F61-G63 WeakPolarHBondContact CE2-O 3.5Å; F61-G63 PolarHBondContact O-N 3.3Å
64E77.4Confident87Confident178 Ų17882.8 Ų82.883%0.83243%0.427SS*.SBendtrans-88.1-29.1177.7-89.7-175.188.200113.3
65L78.5Confident87Confident97 Ų9783.7 Ų83.751%0.50844%0.435SS..  trans-142.5139.1-175.6-88.9150.1000109.3V47 H71V47-L65 HydrophobicContact CG1-CD2 4.35Å; L65-H71 PolarHBondContact O-NE2 3.33Å
66L81.9Confident87Confident4 Ų474.6 Ų74.62%0.02140%0.395CS..  trans-103.9124.3175.2-62167000108.2F30 L50 F61 H71 V74 V76F30-L66 HydrophobicContact CB-CD1 4.26Å; F30-L66 HydrophobicContact CD1-CB 4.17Å; F30-L66 HydrophobicContact CD2-CB 3.97Å; F30-L66 HydrophobicContact CD2-CD1 3.55Å; F30-L66 HydrophobicContact CD2-CG 4.3Å; F30-L66 HydrophobicContact CE1-CB 4.01Å; F30-L66 HydrophobicContact CE2-CB 3.79Å; F30-L66 HydrophobicContact CE2-CD1 4.04Å; F30-L66 HydrophobicContact CG-CB 4.14Å; F30-L66 HydrophobicContact CG-CD1 3.94Å; F30-L66 HydrophobicContact CG-CG 4.42Å; F30-L66 HydrophobicContact CZ-CB 3.81Å; L50-L66 HydrophobicContact CD1-CD1 4.07Å; F61-L66 HydrophobicContact CB-CD1 4.45Å; F61-L66 HydrophobicContact CD1-CD1 3.97Å; F61-L66 HydrophobicContact CD2-CD1 3.74Å; F61-L66 HydrophobicContact CD2-CD2 3.86Å; F61-L66 HydrophobicContact CD2-CG 3.76Å; F61-L66 HydrophobicContact CE1-CD1 4.07Å; F61-L66 HydrophobicContact CE2-CD1 3.86Å; F61-L66 HydrophobicContact CE2-CD2 4.24Å; F61-L66 HydrophobicContact CE2-CG 3.71Å; F61-L66 HydrophobicContact CG-CD1 3.81Å; F61-L66 HydrophobicContact CG-CD2 4.48Å; F61-L66 HydrophobicContact CG-CG 4.35Å; F61-L66 HydrophobicContact CZ-CD1 4.02Å; F61-L66 HydrophobicContact CZ-CG 4.23Å; L66-H71 HydrophobicContact CB-CB 4.24Å; L66-H71 HydrophobicContact CD2-CB 3.61Å; L66-V74 HydrophobicContact CD2-CB 3.9Å; L66-V74 HydrophobicContact CD2-CG1 3.75Å; L66-V74 HydrophobicContact CD2-CG2 4.16Å; L66-V76 HydrophobicContact CD1-CG2 4.28Å
67L83.3Confident87.1Confident110 Ų11071.6 Ų71.658%0.57638%0.384SS*.  trans-112.2132.1176-71.2161.5000108.6V70 H71L67-V70 PolarHBondContact O-N 3.24Å; L67-H71 PolarHBondContact N-ND1 3.24Å; L67-H71 PolarHBondContact O-N 3.35Å; L67-H71 PolarHBondContact O-ND1 2.88Å
68Q75.6Confident87.2Confident130 Ų13064.2 Ų64.261%0.60735%0.352SS*.THydrogen-bonded Turntrans-53.1137.4176.4-173.1-172.9-1.300110.9F34 V70F34-Q68 HydrophobicContact CD1-CG 3.88Å; F34-Q68 HydrophobicContact CE1-CB 4.36Å; F34-Q68 HydrophobicContact CE1-CG 3.65Å; F34-Q68 HydrophobicContact CE2-CB 4.43Å; F34-Q68 HydrophobicContact CG-CG 4.46Å; F34-Q68 HydrophobicContact CZ-CB 4.21Å; F34-Q68 VanDerWaalsContact CZ-CD 3.49Å; F34-Q68 HydrophobicContact CZ-CG 3.99Å; F34-Q68 VanDerWaalsContact CZ-OE1 3.3Å; Q68-V70 PolarHBondContact O-N 2.95Å; Q68-V70 VanDerWaalsContact O-N 3.09Å
69G81.6Confident87.1Confident54 Ų5466.6 Ų66.656%0.55736%0.364SS*.THydrogen-bonded Turntrans83.7-44179.400000113.7D72G69-D72 PolarHBondContact N-OD1 2.85Å
70V86.4Confident86.4Confident117 Ų11773.3 Ų73.371%0.70939%0.394SS*.THydrogen-bonded Turntrans-78.4-41.1178.2-178.90000111.4L67 Q68L67-V70 PolarHBondContact O-N 3.24Å; Q68-V70 PolarHBondContact O-N 2.95Å; Q68-V70 VanDerWaalsContact O-N 3.09Å
71H89.6Confident85.3Confident42 Ų4279 Ų7919%0.19442%0.418CS..SBendtrans-105.416.1-173.8-57.381000112.7F30 L65 L66 L67 D73 V74F30-H71 WeakPolarHBondContact CB-O 3.19Å; F30-H71 HydrophobicContact CD1-CB 4.2Å; F30-H71 WeakPolarHBondContact CD1-O 3.42Å; L65-H71 PolarHBondContact O-NE2 3.33Å; L66-H71 HydrophobicContact CB-CB 4.24Å; L66-H71 HydrophobicContact CD2-CB 3.61Å; L67-H71 PolarHBondContact N-ND1 3.24Å; L67-H71 PolarHBondContact O-N 3.35Å; L67-H71 PolarHBondContact O-ND1 2.88Å; H71-D73 PolarHBondContact O-N 3.43Å; H71-D73 VanDerWaalsContact O-N 3.11Å; H71-V74 HydrophobicContact CB-CB 4.33Å; H71-V74 HydrophobicContact CB-CG2 3.78Å; H71-V74 WeakPolarHBondContact O-CB 3.45Å; H71-V74 PolarHBondContact O-N 3.45Å
72D87.4Confident85Confident31 Ų3182.6 Ų82.617%0.16644%0.437CS..THydrogen-bonded Turntrans-55.8-32-178.6-82.11.2000112.1G31 R35 G69G31-D72 WeakPolarHBondContact CA-O 3.41Å; G31-D72 PolarHBondContact N-O 2.99Å; R35-D72 IonicContact CZ-OD2 3.76Å; R35-D72 IonicContact NE-OD2 3.82Å; R35-D72 IonicContact NH2-OD2 2.87Å; R35-D72 PolarHBondContact NH2-OD2 3.34Å; G69-D72 PolarHBondContact N-OD1 2.85Å
73D88.7Confident84.9Confident117 Ų11778.3 Ų78.363%0.62642%0.42SS*.THydrogen-bonded Turntrans-89.1-4-178.7-150.8-108.9000114.4K29 H71 D75K29-D73 PolarHBondContact NZ-O 3.47Å; K29-D73 VanDerWaalsContact NZ-O 3.16Å; K29-D73 IonicContact NZ-OD1 2.94Å; K29-D73 PolarHBondContact NZ-OD1 3.14Å; K29-D73 IonicContact NZ-OD2 2.84Å; K29-D73 PolarHBondContact NZ-OD2 3.33Å; H71-D73 PolarHBondContact O-N 3.43Å; H71-D73 VanDerWaalsContact O-N 3.11Å; D73-D75 PolarHBondContact O-N 3.45Å
74V91.4Very high85Confident25 Ų2580.3 Ų80.315%0.15242%0.419CS..  trans-71128.5-178.6175.20000110.7K29 F30 F61 Q62 L66 H71K29-V74 CarbonylContact C-O 3.56Å; K29-V74 WeakPolarHBondContact CA-O 3.48Å; F30-V74 PolarHBondContact N-O 2.96Å; F61-V74 HydrophobicContact CB-CG1 4.13Å; Q62-V74 HydrophobicContact CB-CG1 4.16Å; L66-V74 HydrophobicContact CD2-CB 3.9Å; L66-V74 HydrophobicContact CD2-CG1 3.75Å; L66-V74 HydrophobicContact CD2-CG2 4.16Å; H71-V74 HydrophobicContact CB-CB 4.33Å; H71-V74 HydrophobicContact CB-CG2 3.78Å; H71-V74 WeakPolarHBondContact O-CB 3.45Å; H71-V74 PolarHBondContact O-N 3.45Å
75D91.6Very high85.5Confident73 Ų7374.6 Ų74.639%0.3940%0.395SS..EExtended strand (participates in β ladder)trans-77.2126.7174-65.6-63.1000111.6K29 F61 D73K29-D75 WeakPolarHBondContact CG-OD1 3.3Å; F61-D75 WeakPolarHBondContact CA-O 3.37Å; F61-D75 WeakPolarHBondContact CB-O 3.38Å; D73-D75 PolarHBondContact O-N 3.45Å
76V92.5Very high85.9Confident0 Ų073.2 Ų73.20%039%0.388CS..EExtended strand (participates in β ladder)trans-96.9111.4168.1-176.20000107.5I14 S27 V28 F30 L33 L50 I59 D60 F61 L66I14-V76 HydrophobicContact CD1-CG1 4.02Å; S27-V76 CarbonylContact C-O 3.52Å; S27-V76 VanDerWaalsContact CA-O 3.27Å; S27-V76 WeakPolarHBondContact CA-O 3.32Å; V28-V76 HydrophobicContact CG1-CB 4.27Å; V28-V76 PolarHBondContact N-O 3.07Å; V28-V76 WeakPolarHBondContact O-CB 3.48Å; V28-V76 PolarHBondContact O-N 3.09Å; F30-V76 HydrophobicContact CB-CG2 4.2Å; L33-V76 HydrophobicContact CD1-CB 4.47Å; L33-V76 HydrophobicContact CD1-CG2 4.34Å; L50-V76 HydrophobicContact CD2-CG1 3.97Å; L50-V76 HydrophobicContact CD2-CG2 4.33Å; I59-V76 HydrophobicContact CB-CG1 4.15Å; I59-V76 HydrophobicContact CD1-CG1 3.83Å; I59-V76 HydrophobicContact CG1-CG1 4.5Å; I59-V76 HydrophobicContact CG2-CG1 4.45Å; D60-V76 CarbonylContact O-C 3.58Å; F61-V76 HydrophobicContact CB-CG2 4.18Å; L66-V76 HydrophobicContact CD1-CG2 4.28Å
77I92.8Very high86.2Confident45 Ų4577.8 Ų77.823%0.23141%0.413CS..EExtended strand (participates in β ladder)trans-98.8127.9-175.8-55.4165.4000108.6Q25 I59 D60 L79Q25-I77 HydrophobicContact CB-CG2 4.07Å; I59-I77 CarbonylContact C-O 3.58Å; I59-I77 WeakPolarHBondContact CA-O 3.45Å; I59-I77 WeakPolarHBondContact CB-O 3.34Å; D60-I77 PolarHBondContact N-O 3.35Å; D60-I77 PolarHBondContact O-N 3.18Å; I77-L79 HydrophobicContact CG2-CD2 4.46Å; I77-L79 PolarHBondContact O-N 3.02Å
78L93.1Very high86.4Confident7 Ų775.5 Ų75.54%0.03740%0.401CS..EExtended strand (participates in β ladder)trans-78117.4171.7-17065.7000109.5V11 I14 Q15 Q25 T26 I58 I59 K80 E81V11-L78 HydrophobicContact CB-CD1 4.22Å; V11-L78 HydrophobicContact CG1-CD1 3.84Å; V11-L78 HydrophobicContact CG1-CD2 3.87Å; V11-L78 HydrophobicContact CG1-CG 4.5Å; V11-L78 HydrophobicContact CG2-CD1 3.73Å; I14-L78 HydrophobicContact CG2-CB 4.14Å; Q15-L78 HydrophobicContact CG-CD2 3.93Å; Q25-L78 PolarHBondContact NE2-O 3.38Å; T26-L78 VanDerWaalsContact O-CB 3.31Å; T26-L78 WeakPolarHBondContact O-CB 3.49Å; T26-L78 PolarHBondContact O-N 3.24Å; I58-L78 HydrophobicContact CG2-CD1 4.32Å; I59-L78 HydrophobicContact CG2-CD1 3.97Å; L78-K80 WeakPolarHBondContact CD1-O 3.4Å; L78-E81 HydrophobicContact CD2-CG 3.85Å
79L90.4Very high87.2Confident82 Ų8271.3 Ų71.343%0.42939%0.385SS..  trans-90.5-28.9176.3-62-176000112.3I58 D60 I77I58-L79 WeakPolarHBondContact O-CA 3.44Å; I58-L79 WeakPolarHBondContact O-CB 3.32Å; I58-L79 PolarHBondContact O-N 3.45Å; D60-L79 HydrophobicContact CB-CD1 3.88Å; D60-L79 HydrophobicContact CB-CD2 4.16Å; D60-L79 HydrophobicContact CB-CG 4.01Å; I77-L79 HydrophobicContact CG2-CD2 4.46Å; I77-L79 PolarHBondContact O-N 3.02Å
80K79Confident87.7Confident143 Ų14372.8 Ų72.862%0.62237%0.371SS*.  trans-145.3131-174.7-155.5174.9-175.5-177.50111.1I58 L78I58-K80 PolarHBondContact O-N 2.98Å; I58-K80 VanDerWaalsContact O-N 3.09Å; L78-K80 WeakPolarHBondContact CD1-O 3.4Å
81E69.4Low87.8Confident191 Ų19168.7 Ų68.789%0.89334%0.34SS*.  trans-89.80172.8-60.1178.411100111.1Q15 L78Q15-E81 PolarHBondContact NE2-OE1 2.91Å; L78-E81 HydrophobicContact CD2-CG 3.85Å

Retrieved 81 of 81 residues in 453.6 ms (Link to these results)

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