A0A087X1I1_HUMAN Loading...

Ankyrin repeat domain 34A

AlphaFold DB , UniProt , Accession A0A087X1I1, Species HUMAN (Homo sapiens, Human), Gene ANKRD34A, Length 103 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
1M35.1Very low65.8Low227 Ų227102.9 Ų102.9100%1.11852%0.517SS*.  0101.90-73.6170.317600107.1H3M1-H3 PolarHBondContact O-N 3.03Å
2L33.2Very low68.3Low156 Ų15694.5 Ų94.582%0.81748%0.475SS*.  trans-81.9106.4178.7-75.5163.5000107.3T4L2-T4 HydrophobicContact CB-CG2 4.19Å; L2-T4 PolarHBondContact O-N 2.91Å
3H39.8Very low70.5Confident157 Ų15787.2 Ų87.273%0.72744%0.439SS*.  trans-70.674.8166.3-73.7-108000108.3M1M1-H3 PolarHBondContact O-N 3.03Å
4T47.9Very low72.2Confident89 Ų8983.4 Ų83.455%0.54643%0.432SS..  trans-93.6-14.1174.241.30000112.7L2L2-T4 HydrophobicContact CB-CG2 4.19Å; L2-T4 PolarHBondContact O-N 2.91Å
5E49.2Very low73.6Confident178 Ų17885.8 Ų85.883%0.83244%0.441SS*.G310 helixtrans-75.6-41.3-175.9-63.9-175.8170.200112.1H7E5-H7 PolarHBondContact O-N 3.24Å; E5-H7 VanDerWaalsContact O-N 3.11Å
6G60.5Low74.9Confident22 Ų2281.8 Ų81.823%0.22743%0.427CS..G310 helixtrans-74.10.8-177.600000116.4E33G6-E33 WeakPolarHBondContact CA-OE1 3.27Å
7H79Confident76.2Confident62 Ų6283.6 Ų83.629%0.28743%0.43SS..G310 helixtrans-1263.9-177.1-55-36.7000113.9E5 L9 L10 R11E5-H7 PolarHBondContact O-N 3.24Å; E5-H7 VanDerWaalsContact O-N 3.11Å; H7-L9 VanDerWaalsContact C-N 3.32Å; H7-L9 PolarHBondContact O-N 3Å; H7-L10 PolarHBondContact O-N 3.29Å; H7-R11 WeakPolarHBondContact O-CG 3.43Å; H7-R11 PolarHBondContact O-N 3.04Å
8A93.2Very high77.3Confident37 Ų3781.2 Ų81.231%0.30642%0.418SS..Hα-helixtrans-60-44.4-179.700000111.4R11 A12 L24A8-R11 PolarHBondContact O-N 3.2Å; A8-A12 WeakPolarHBondContact O-CB 3.41Å; A8-A12 PolarHBondContact O-N 3.16Å; A8-L24 HydrophobicContact CB-CD1 3.97Å; A8-L24 HydrophobicContact CB-CD2 3.96Å
9L96.4Very high78.3Confident15 Ų1588.4 Ų88.48%0.07944%0.44CS..Hα-helixtrans-63.5-47.7177.5-178.963.5000111.1H7 R11 A12 V13 A21 L24 L25 A41H7-L9 VanDerWaalsContact C-N 3.32Å; H7-L9 PolarHBondContact O-N 3Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 2.99Å; L9-A12 PolarHBondContact O-N 3.24Å; L9-V13 HydrophobicContact CD1-CG2 4.05Å; L9-V13 HydrophobicContact CG-CG2 4.37Å; L9-V13 WeakPolarHBondContact O-CB 3.35Å; L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 2.99Å; L9-A21 HydrophobicContact CD1-CB 4.01Å; L9-L24 HydrophobicContact CB-CD1 4.49Å; L9-L24 HydrophobicContact CD1-CB 4.43Å; L9-L25 HydrophobicContact CD1-CD1 4.28Å; L9-L25 HydrophobicContact CD1-CD2 4.2Å; L9-L25 HydrophobicContact CD1-CG 3.94Å; L9-L25 HydrophobicContact CD2-CD2 3.57Å; L9-L25 HydrophobicContact CD2-CG 4.25Å; L9-A41 HydrophobicContact CD2-CB 3.83Å; L9-A41 HydrophobicContact CG-CB 3.92Å
10L95.4Very high79.3Confident25 Ų2588.2 Ų88.213%0.13144%0.44CS..Hα-helixtrans-56.6-46.1179.5-15298.2000111.5H7 V13 G14 D35 E39 T40 A44H7-L10 PolarHBondContact O-N 3.29Å; L10-V13 PolarHBondContact O-N 3.42Å; L10-G14 PolarHBondContact O-N 3.32Å; L10-D35 HydrophobicContact CD2-CB 4.23Å; L10-E39 WeakPolarHBondContact CD1-O 3.5Å; L10-T40 VanDerWaalsContact CD1-C 3.44Å; L10-A44 HydrophobicContact CD1-CB 4.39Å; L10-A44 HydrophobicContact CG-CB 4.21Å
11R94.3Very high80.1Confident164 Ų16484 Ų8462%0.61942%0.419SS*.Hα-helixtrans-66.3-43.9178.1-69.3178.569.2-178.83112.2H7 A8 L9 V13 G14 Q15H7-R11 WeakPolarHBondContact O-CG 3.43Å; H7-R11 PolarHBondContact O-N 3.04Å; A8-R11 PolarHBondContact O-N 3.2Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 2.99Å; R11-V13 VanDerWaalsContact C-N 3.31Å; R11-V13 PolarHBondContact O-N 3.34Å; R11-G14 PolarHBondContact O-N 3.03Å; R11-Q15 WeakPolarHBondContact O-CB 3.31Å; R11-Q15 VanDerWaalsContact O-CG 3.31Å; R11-Q15 WeakPolarHBondContact O-CG 3.5Å; R11-Q15 PolarHBondContact O-N 3.49Å; R11-Q15 VanDerWaalsContact O-N 3.13Å
12A96.1Very high83.1Confident2 Ų278.1 Ų78.12%0.01738%0.384CS..Hα-helixtrans-60.5-43.9177.500000111.2A8 L9 Q15 G16 K17 L20 A21 L24A8-A12 WeakPolarHBondContact O-CB 3.41Å; A8-A12 PolarHBondContact O-N 3.16Å; L9-A12 PolarHBondContact O-N 3.24Å; A12-Q15 PolarHBondContact O-N 3.15Å; A12-G16 PolarHBondContact O-N 3.43Å; A12-K17 HydrophobicContact CB-CB 4.5Å; A12-K17 WeakPolarHBondContact O-CB 3.27Å; A12-K17 PolarHBondContact O-N 3.27Å; A12-L20 HydrophobicContact CB-CB 4.19Å; A12-L20 HydrophobicContact CB-CD2 3.84Å; A12-L20 HydrophobicContact CB-CG 3.86Å; A12-A21 HydrophobicContact CB-CB 4.46Å; A12-L24 HydrophobicContact CB-CD1 3.94Å
13V96.6Very high86.2Confident0 Ų076.1 Ų76.10%037%0.374CS..Hα-helixtrans-67-48.6177.1171.30000111.4L9 L10 R11 Q15 G16 A21 A41 A44 A45 Y50 M59 L63L9-V13 HydrophobicContact CD1-CG2 4.05Å; L9-V13 HydrophobicContact CG-CG2 4.37Å; L9-V13 WeakPolarHBondContact O-CB 3.35Å; L9-V13 VanDerWaalsContact O-CG2 3.3Å; L9-V13 WeakPolarHBondContact O-CG2 3.31Å; L9-V13 PolarHBondContact O-N 2.99Å; L10-V13 PolarHBondContact O-N 3.42Å; R11-V13 VanDerWaalsContact C-N 3.31Å; R11-V13 PolarHBondContact O-N 3.34Å; V13-Q15 PolarHBondContact O-N 3.37Å; V13-Q15 VanDerWaalsContact O-N 3.09Å; V13-G16 PolarHBondContact O-N 2.98Å; V13-A21 HydrophobicContact CG2-CB 4.03Å; V13-A41 VanDerWaalsContact CG1-O 3.29Å; V13-A41 WeakPolarHBondContact CG1-O 3.14Å; V13-A41 HydrophobicContact CG2-CB 4.25Å; V13-A44 HydrophobicContact CG1-CB 4.33Å; V13-A45 HydrophobicContact CG1-CB 3.59Å; V13-Y50 WeakPolarHBondContact O-CE1 3.33Å; V13-Y50 VanDerWaalsContact O-CZ 3.31Å; V13-Y50 PolarHBondContact O-OH 3.49Å; V13-M59 HydrophobicContact CB-SD 4.48Å; V13-M59 HydrophobicContact CG1-CG 3.97Å; V13-M59 HydrophobicContact CG1-SD 4.37Å; V13-M59 HydrophobicContact CG2-CE 4.44Å; V13-M59 HydrophobicContact CG2-CG 4.48Å; V13-M59 HydrophobicContact CG2-SD 3.89Å; V13-L63 HydrophobicContact CG1-CD1 4.1Å; V13-L63 HydrophobicContact CG2-CD1 4.17Å; V13-L63 HydrophobicContact CG2-CD2 4.24Å
14G94.1Very high89Confident34 Ų3470.7 Ų70.735%0.35135%0.35SS..Hα-helixtrans-57.6-27.4178.500000113.7L10 R11L10-G14 PolarHBondContact O-N 3.32Å; R11-G14 PolarHBondContact O-N 3.03Å
15Q93.6Very high91.3Very high119 Ų11967.3 Ų67.356%0.55633%0.328SS*.THydrogen-bonded Turntrans-93.93.9176.3-64.9177.61400114.3R11 A12 V13 K17R11-Q15 WeakPolarHBondContact O-CB 3.31Å; R11-Q15 VanDerWaalsContact O-CG 3.31Å; R11-Q15 WeakPolarHBondContact O-CG 3.5Å; R11-Q15 PolarHBondContact O-N 3.49Å; R11-Q15 VanDerWaalsContact O-N 3.13Å; A12-Q15 PolarHBondContact O-N 3.15Å; V13-Q15 PolarHBondContact O-N 3.37Å; V13-Q15 VanDerWaalsContact O-N 3.09Å; Q15-K17 HydrophobicContact CB-CG 3.88Å; Q15-K17 PolarHBondContact O-N 3.36Å
16G94.8Very high93.6Very high21 Ų2165.4 Ų65.422%0.21632%0.319CS..THydrogen-bonded Turntrans69.117.8-179.700000114.5A12 V13 L18 Y50A12-G16 PolarHBondContact O-N 3.43Å; V13-G16 PolarHBondContact O-N 2.98Å; G16-L18 VanDerWaalsContact C-N 3.27Å; G16-L18 PolarHBondContact O-N 3.23Å; G16-Y50 VanDerWaalsContact CA-CE1 3.43Å
17K96Very high95.2Very high113 Ų11367.6 Ų67.649%0.49134%0.342SS..  trans-80.468.1-176.9-57.7-65.8-178.5-176.70111.2A12 Q15 R19 L20 A21A12-K17 HydrophobicContact CB-CB 4.5Å; A12-K17 WeakPolarHBondContact O-CB 3.27Å; A12-K17 PolarHBondContact O-N 3.27Å; Q15-K17 HydrophobicContact CB-CG 3.88Å; Q15-K17 PolarHBondContact O-N 3.36Å; K17-R19 VanDerWaalsContact C-N 3.27Å; K17-R19 PolarHBondContact O-N 3.13Å; K17-R19 VanDerWaalsContact O-N 3.15Å; K17-L20 HydrophobicContact CB-CB 3.93Å; K17-L20 PolarHBondContact O-N 2.99Å; K17-A21 PolarHBondContact O-N 3.46Å
18L96.5Very high96Very high40 Ų4067.7 Ų67.721%0.20936%0.36CS..Hα-helixtrans-52.6-40.4-175.2-179.361.1000113.7G16 L20 A21 R22 R58 M59 Y62G16-L18 VanDerWaalsContact C-N 3.27Å; G16-L18 PolarHBondContact O-N 3.23Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L18-L20 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 3.41Å; L18-R22 WeakPolarHBondContact O-CG 3.34Å; L18-R22 PolarHBondContact O-N 3.02Å; L18-R58 HydrophobicContact CD2-CB 4.35Å; L18-M59 HydrophobicContact CB-CE 4.02Å; L18-M59 HydrophobicContact CD1-CE 4.3Å; L18-M59 HydrophobicContact CD1-SD 3.74Å; L18-Y62 HydrophobicContact CD1-CD1 3.87Å; L18-Y62 HydrophobicContact CD1-CG 4.17Å
19R97Very high96.1Very high218 Ų21867.5 Ų67.582%0.82336%0.358SS*.Hα-helixtrans-63.9-39177.2-70.4-175.4178.4-176.2-1.1112.6K17 L23K17-R19 VanDerWaalsContact C-N 3.27Å; K17-R19 PolarHBondContact O-N 3.13Å; K17-R19 VanDerWaalsContact O-N 3.15Å; R19-L23 WeakPolarHBondContact O-CG 3.28Å; R19-L23 PolarHBondContact O-N 2.91Å
20L96.8Very high96Very high84 Ų8473.9 Ų73.944%0.4438%0.382SS..Hα-helixtrans-72.1-40.8177.7-178.959.9000111A12 K17 L18 R22 L23 L24A12-L20 HydrophobicContact CB-CB 4.19Å; A12-L20 HydrophobicContact CB-CD2 3.84Å; A12-L20 HydrophobicContact CB-CG 3.86Å; K17-L20 HydrophobicContact CB-CB 3.93Å; K17-L20 PolarHBondContact O-N 2.99Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L18-L20 PolarHBondContact O-N 2.88Å; L20-R22 VanDerWaalsContact C-N 3.28Å; L20-R22 PolarHBondContact O-N 3.28Å; L20-L23 PolarHBondContact O-N 2.86Å; L20-L24 HydrophobicContact CD1-CD1 4.42Å; L20-L24 HydrophobicContact CD1-CG 4.39Å; L20-L24 HydrophobicContact CG-CD1 4.1Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.19Å; L20-L24 PolarHBondContact O-N 3.18Å
21A97.4Very high96.1Very high0 Ų073.3 Ų73.30%038%0.38CS..Hα-helixtrans-57.9-41.3174.100000111.8L9 A12 V13 K17 L18 L24 L25 M59L9-A21 HydrophobicContact CD1-CB 4.01Å; A12-A21 HydrophobicContact CB-CB 4.46Å; V13-A21 HydrophobicContact CG2-CB 4.03Å; K17-A21 PolarHBondContact O-N 3.46Å; L18-A21 PolarHBondContact O-N 3.41Å; A21-L24 PolarHBondContact O-N 3.24Å; A21-L25 WeakPolarHBondContact O-CG 3.42Å; A21-L25 PolarHBondContact O-N 3.28Å; A21-L25 VanDerWaalsContact O-N 3.08Å; A21-M59 HydrophobicContact CB-CE 4.43Å; A21-M59 HydrophobicContact CB-SD 4.06Å
22R98Very high96.3Very high105 Ų10566.7 Ų66.740%0.39636%0.357SS..Hα-helixtrans-57.9-54.2173.2-75.6168.2-179.1-113.8-3.5112.5L18 L20 L24 L25 E26 Y62L18-R22 WeakPolarHBondContact O-CG 3.34Å; L18-R22 PolarHBondContact O-N 3.02Å; L20-R22 VanDerWaalsContact C-N 3.28Å; L20-R22 PolarHBondContact O-N 3.28Å; R22-L24 PolarHBondContact O-N 3.34Å; R22-L25 PolarHBondContact O-N 3.24Å; R22-E26 WeakPolarHBondContact O-CB 3.48Å; R22-E26 VanDerWaalsContact O-CG 3.31Å; R22-E26 WeakPolarHBondContact O-CG 3.31Å; R22-E26 PolarHBondContact O-N 3.42Å; R22-Y62 WeakPolarHBondContact CA-OH 2.85Å; R22-Y62 HydrophobicContact CB-CE1 4.23Å; R22-Y62 HydrophobicContact CG-CD1 4.12Å; R22-Y62 HydrophobicContact CG-CE1 3.43Å; R22-Y62 VanDerWaalsContact CG-CE1 3.43Å; R22-Y62 HydrophobicContact CG-CE2 3.98Å
23L98.1Very high96.3Very high114 Ų11470.8 Ų70.860%0.59738%0.375SS*.Hα-helixtrans-57.9-37179.6-71.6171.8000112.5R19 L20 G27R19-L23 WeakPolarHBondContact O-CG 3.28Å; R19-L23 PolarHBondContact O-N 2.91Å; L20-L23 PolarHBondContact O-N 2.86Å; L23-G27 PolarHBondContact O-N 3.1Å
24L97.3Very high96.1Very high43 Ų4372.2 Ų72.223%0.22539%0.391CS..Hα-helixtrans-68.7-44.8178.5-69.7168.1000111.8A8 L9 A12 L20 A21 R22 G27 G28 A29A8-L24 HydrophobicContact CB-CD1 3.97Å; A8-L24 HydrophobicContact CB-CD2 3.96Å; L9-L24 HydrophobicContact CB-CD1 4.49Å; L9-L24 HydrophobicContact CD1-CB 4.43Å; A12-L24 HydrophobicContact CB-CD1 3.94Å; L20-L24 HydrophobicContact CD1-CD1 4.42Å; L20-L24 HydrophobicContact CD1-CG 4.39Å; L20-L24 HydrophobicContact CG-CD1 4.1Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.19Å; L20-L24 PolarHBondContact O-N 3.18Å; A21-L24 PolarHBondContact O-N 3.24Å; R22-L24 PolarHBondContact O-N 3.34Å; L24-G27 CarbonylContact O-C 3.47Å; L24-G27 PolarHBondContact O-N 2.87Å; L24-G28 PolarHBondContact O-N 2.96Å; L24-A29 HydrophobicContact CB-CB 4.15Å; L24-A29 WeakPolarHBondContact O-CB 3.38Å; L24-A29 PolarHBondContact O-N 3.33Å
25L96.9Very high96.1Very high18 Ų1872.1 Ų72.19%0.09438%0.382CS..Hα-helixtrans-68.4-41.8178-69.7175.4000112L9 A21 R22 G27 G28 A29 V31 Y62 L63 Q66L9-L25 HydrophobicContact CD1-CD1 4.28Å; L9-L25 HydrophobicContact CD1-CD2 4.2Å; L9-L25 HydrophobicContact CD1-CG 3.94Å; L9-L25 HydrophobicContact CD2-CD2 3.57Å; L9-L25 HydrophobicContact CD2-CG 4.25Å; A21-L25 WeakPolarHBondContact O-CG 3.42Å; A21-L25 PolarHBondContact O-N 3.28Å; A21-L25 VanDerWaalsContact O-N 3.08Å; R22-L25 PolarHBondContact O-N 3.24Å; L25-G27 PolarHBondContact O-N 3.33Å; L25-G28 PolarHBondContact O-N 3.21Å; L25-A29 HydrophobicContact CD2-CB 4.41Å; L25-A29 WeakPolarHBondContact CD2-O 3.47Å; L25-V31 HydrophobicContact CD1-CG2 4.33Å; L25-V31 HydrophobicContact CD2-CB 3.77Å; L25-V31 HydrophobicContact CD2-CG2 4.07Å; L25-Y62 HydrophobicContact CD1-CD1 4.47Å; L25-Y62 HydrophobicContact CD1-CE1 3.71Å; L25-L63 HydrophobicContact CD1-CD2 4.01Å; L25-Q66 HydrophobicContact CD1-CB 3.99Å; L25-Q66 HydrophobicContact CD1-CG 3.75Å
26E96.8Very high96.1Very high137 Ų13768.9 Ų68.964%0.6438%0.376SS*.Hα-helixtrans-62.2-31.2172-70.6167.5-171.700111.7R22 G28R22-E26 WeakPolarHBondContact O-CB 3.48Å; R22-E26 VanDerWaalsContact O-CG 3.31Å; R22-E26 WeakPolarHBondContact O-CG 3.31Å; R22-E26 PolarHBondContact O-N 3.42Å; E26-G28 PolarHBondContact O-N 3.01Å
27G95.6Very high96.1Very high68 Ų6873.3 Ų73.370%0.70139%0.391SS*.THydrogen-bonded Turntrans-78.83.5173.300000114.9L23 L24 L25L23-G27 PolarHBondContact O-N 3.1Å; L24-G27 CarbonylContact O-C 3.47Å; L24-G27 PolarHBondContact O-N 2.87Å; L25-G27 PolarHBondContact O-N 3.33Å
28G94.4Very high96.1Very high64 Ų6468.9 Ų68.966%0.6638%0.377SS*.THydrogen-bonded Turntrans92.312.2175.200000115.6L24 L25 E26 Y30L24-G28 PolarHBondContact O-N 2.96Å; L25-G28 PolarHBondContact O-N 3.21Å; E26-G28 PolarHBondContact O-N 3.01Å; G28-Y30 PolarHBondContact O-N 3.1Å
29A95.2Very high96Very high34 Ų3468 Ų6828%0.28137%0.372SS..  trans-58.9135.4169.400000110.2L24 L25 V31L24-A29 HydrophobicContact CB-CB 4.15Å; L24-A29 WeakPolarHBondContact O-CB 3.38Å; L24-A29 PolarHBondContact O-N 3.33Å; L25-A29 HydrophobicContact CD2-CB 4.41Å; L25-A29 WeakPolarHBondContact CD2-O 3.47Å; A29-V31 PolarHBondContact O-N 3.22Å
30Y96.2Very high96.1Very high149 Ų14957.8 Ų57.858%0.58433%0.333SS*.  trans-79.1116.6-180-177.2-124.4000110.3G28 N32 E33G28-Y30 PolarHBondContact O-N 3.1Å; Y30-N32 HydrophobicContact CD1-CB 4.33Å; Y30-N32 HydrophobicContact CE1-CB 3.65Å; Y30-N32 HydrophobicContact CE2-CB 4.36Å; Y30-N32 PolarHBondContact O-N 3.1Å; Y30-E33 HydrophobicContact CD1-CB 4.01Å; Y30-E33 VanDerWaalsContact CD1-N 3.35Å; Y30-E33 VanDerWaalsContact O-CB 3.3Å; Y30-E33 WeakPolarHBondContact O-CB 3.48Å; Y30-E33 PolarHBondContact O-N 3.36Å; Y30-E33 VanDerWaalsContact O-N 3.08Å
31V97.4Very high96.1Very high12 Ų1253.9 Ų53.97%0.07331%0.313CS..THydrogen-bonded Turntrans-61.4-30.3-172.570.30000113.7L25 A29 L63 Q66 A68L25-V31 HydrophobicContact CD1-CG2 4.33Å; L25-V31 HydrophobicContact CD2-CB 3.77Å; L25-V31 HydrophobicContact CD2-CG2 4.07Å; A29-V31 PolarHBondContact O-N 3.22Å; V31-L63 HydrophobicContact CG2-CD2 4.07Å; V31-Q66 HydrophobicContact CG2-CB 4.38Å; V31-A68 HydrophobicContact CG2-CB 3.8Å
32N97.7Very high96.1Very high26 Ų2653.9 Ų53.914%0.13931%0.313CS..THydrogen-bonded Turntrans-9710.9-178.8-69.2-37.4000112.8Y30 G34 G67 A68 D69 I72Y30-N32 HydrophobicContact CD1-CB 4.33Å; Y30-N32 HydrophobicContact CE1-CB 3.65Å; Y30-N32 HydrophobicContact CE2-CB 4.36Å; Y30-N32 PolarHBondContact O-N 3.1Å; N32-G34 PolarHBondContact O-N 2.89Å; N32-G67 PolarHBondContact ND2-O 3.41Å; N32-G67 VanDerWaalsContact ND2-O 3.15Å; N32-A68 VanDerWaalsContact OD1-CA 3.27Å; N32-A68 WeakPolarHBondContact OD1-CA 3.35Å; N32-D69 PolarHBondContact OD1-N 2.96Å; N32-I72 HydrophobicContact CB-CD1 3.66Å
33E95.1Very high96.1Very high87 Ų8749 Ų4941%0.40730%0.295SS..  trans-63.9121.8171.7-166.7172.3-177.400109.3G6 Y30G6-E33 WeakPolarHBondContact CA-OE1 3.27Å; Y30-E33 HydrophobicContact CD1-CB 4.01Å; Y30-E33 VanDerWaalsContact CD1-N 3.35Å; Y30-E33 VanDerWaalsContact O-CB 3.3Å; Y30-E33 WeakPolarHBondContact O-CB 3.48Å; Y30-E33 PolarHBondContact O-N 3.36Å; Y30-E33 VanDerWaalsContact O-N 3.08Å
34G93.5Very high95.9Very high31 Ų3143.7 Ų43.732%0.3227%0.268SS..BIsolated β-bridgetrans-94.8150.5174.300000111.1N32 E39N32-G34 PolarHBondContact O-N 2.89Å; G34-E39 WeakPolarHBondContact CA-O 3.48Å
35D94.1Very high95.9Very high31 Ų3141.6 Ų41.617%0.16626%0.257CS..  trans-73.5-171.8171.774.5-0.3000112.9L10 Q37 G38 E39L10-D35 HydrophobicContact CD2-CB 4.23Å; D35-Q37 PolarHBondContact O-N 3.08Å; D35-Q37 VanDerWaalsContact OD1-CA 3.28Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.25Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.38Å; D35-Q37 PolarHBondContact OD1-N 3.24Å; D35-G38 PolarHBondContact O-N 3.2Å; D35-G38 PolarHBondContact OD1-N 2.85Å; D35-G38 VanDerWaalsContact OD1-N 3.08Å; D35-E39 PolarHBondContact N-O 3.42Å; D35-E39 WeakPolarHBondContact OD1-CB 3.31Å; D35-E39 PolarHBondContact OD1-N 3.38Å
36A93.9Very high95.8Very high52 Ų5240.8 Ų40.843%0.4325%0.252SS..THydrogen-bonded Turntrans-64.1-3.4176.600000113.8R75A36-R75 PolarHBondContact O-NE 3.09Å; A36-R75 PolarHBondContact O-NH1 2.89Å; A36-R75 PolarHBondContact O-NH2 3.18Å
37Q94.3Very high95.5Very high114 Ų11440.4 Ų40.453%0.53325%0.245SC..THydrogen-bonded Turntrans-112.2-0.7174.9-72.166.23200111.3D35 R75D35-Q37 PolarHBondContact O-N 3.08Å; D35-Q37 VanDerWaalsContact OD1-CA 3.28Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.25Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.38Å; D35-Q37 PolarHBondContact OD1-N 3.24Å; Q37-R75 WeakPolarHBondContact O-CB 3.36Å; Q37-R75 VanDerWaalsContact O-CG 3.31Å; Q37-R75 WeakPolarHBondContact O-CG 3.33Å; Q37-R75 PolarHBondContact O-N 2.59Å
38G95.7Very high95.3Very high19 Ų1937.8 Ų37.820%0.19622%0.217CC..  trans75.112.2-171.700000113.1D35 T40D35-G38 PolarHBondContact O-N 3.2Å; D35-G38 PolarHBondContact OD1-N 2.85Å; D35-G38 VanDerWaalsContact OD1-N 3.08Å; G38-T40 PolarHBondContact O-N 3.26Å
39E95.8Very high95Very high23 Ų2345.6 Ų45.611%0.10723%0.226CC..  trans-69.9119.3173.8-170.9174.8-115.300108.3L10 G34 D35 M43 R47L10-E39 WeakPolarHBondContact CD1-O 3.5Å; G34-E39 WeakPolarHBondContact CA-O 3.48Å; D35-E39 PolarHBondContact N-O 3.42Å; D35-E39 WeakPolarHBondContact OD1-CB 3.31Å; D35-E39 PolarHBondContact OD1-N 3.38Å; E39-M43 HydrophobicContact CG-CB 3.99Å; E39-R47 IonicContact OE1-CZ 3.32Å; E39-R47 VanDerWaalsContact OE1-CZ 3.32Å; E39-R47 IonicContact OE1-NE 2.84Å; E39-R47 PolarHBondContact OE1-NE 3.01Å; E39-R47 IonicContact OE1-NH2 2.94Å; E39-R47 PolarHBondContact OE1-NH2 3.38Å; E39-R47 IonicContact OE2-NH2 3.02Å; E39-R47 PolarHBondContact OE2-NH2 3Å
40T97.4Very high94.7Very high2 Ų245.5 Ų45.51%0.01222%0.219CC..BIsolated β-bridgetrans-89.9166.117568.70000111.3L10 G38 L42 M43 A44 I72L10-T40 VanDerWaalsContact CD1-C 3.44Å; G38-T40 PolarHBondContact O-N 3.26Å; T40-L42 PolarHBondContact O-N 3.27Å; T40-M43 HydrophobicContact CG2-CE 4.23Å; T40-M43 PolarHBondContact O-N 3.5Å; T40-M43 WeakPolarHBondContact OG1-CG 3.34Å; T40-M43 PolarHBondContact OG1-N 2.92Å; T40-A44 PolarHBondContact O-N 2.94Å; T40-I72 HydrophobicContact CG2-CB 4.18Å; T40-I72 HydrophobicContact CG2-CD1 4.24Å; T40-I72 HydrophobicContact CG2-CG2 3.66Å
41A97.4Very high94.3Very high2 Ų246.8 Ų46.82%0.01724%0.236CC..Hα-helixtrans-55-39.3174.200000112.2L9 V13 A44 A45 L63L9-A41 HydrophobicContact CD2-CB 3.83Å; L9-A41 HydrophobicContact CG-CB 3.92Å; V13-A41 VanDerWaalsContact CG1-O 3.29Å; V13-A41 WeakPolarHBondContact CG1-O 3.14Å; V13-A41 HydrophobicContact CG2-CB 4.25Å; A41-A44 PolarHBondContact O-N 3.35Å; A41-A45 PolarHBondContact O-N 2.98Å; A41-L63 HydrophobicContact CB-CD1 4.21Å; A41-L63 HydrophobicContact CB-CD2 4.12Å
42L97.8Very high93.7Very high1 Ų149.2 Ų49.21%0.00525%0.249CC..Hα-helixtrans-65.3-43.3179.4-173.360.3000111.8T40 A44 A45 C46 V60 L63 L64 A68 P70 A80 L97T40-L42 PolarHBondContact O-N 3.27Å; L42-A44 PolarHBondContact O-N 3Å; L42-A45 PolarHBondContact O-N 3.03Å; L42-C46 PolarHBondContact O-N 3.47Å; L42-C46 VanDerWaalsContact O-N 3.11Å; L42-C46 PolarHBondContact O-SG 3.08Å; L42-V60 HydrophobicContact CD1-CG1 3.97Å; L42-L63 HydrophobicContact CD1-CB 4.19Å; L42-L63 HydrophobicContact CD1-CD1 4.44Å; L42-L64 HydrophobicContact CD1-CD2 4.25Å; L42-L64 HydrophobicContact CD1-CG 4.14Å; L42-L64 HydrophobicContact CD2-CD2 3.73Å; L42-L64 HydrophobicContact CD2-CG 4.49Å; L42-A68 HydrophobicContact CB-CB 4.21Å; L42-A68 HydrophobicContact CD2-CB 3.98Å; L42-P70 HydrophobicContact CD2-CB 3.99Å; L42-A80 HydrophobicContact CD2-CB 3.92Å; L42-A80 HydrophobicContact CG-CB 3.78Å; L42-L97 HydrophobicContact CD1-CD2 4.09Å; L42-L97 HydrophobicContact CD2-CD2 3.97Å; L42-L97 HydrophobicContact CG-CD2 4.17Å
43M96.9Very high92.7Very high1 Ų153 Ų531%0.00527%0.274CS..Hα-helixtrans-61.6-44.4174.1-63.9172.6-171.500111.8E39 T40 A45 C46 R47 I72 D74 R78 A80E39-M43 HydrophobicContact CG-CB 3.99Å; T40-M43 HydrophobicContact CG2-CE 4.23Å; T40-M43 PolarHBondContact O-N 3.5Å; T40-M43 WeakPolarHBondContact OG1-CG 3.34Å; T40-M43 PolarHBondContact OG1-N 2.92Å; M43-A45 VanDerWaalsContact C-N 3.31Å; M43-A45 PolarHBondContact O-N 2.96Å; M43-C46 WeakPolarHBondContact O-CB 3.36Å; M43-C46 PolarHBondContact O-N 3.34Å; M43-C46 VanDerWaalsContact O-N 3.14Å; M43-R47 PolarHBondContact O-N 3.25Å; M43-I72 HydrophobicContact CE-CB 4.45Å; M43-I72 HydrophobicContact CE-CG2 4.14Å; M43-I72 WeakPolarHBondContact CE-O 3.41Å; M43-D74 HydrophobicContact CE-CB 4.24Å; M43-D74 HydrophobicContact SD-CB 3.93Å; M43-R78 WeakPolarHBondContact CE-O 3.46Å; M43-A80 HydrophobicContact CG-CB 4.38Å
44A95.3Very high92.2Very high3 Ų354.4 Ų54.43%0.02528%0.281CS..Hα-helixtrans-59.5-41.6177.200000111.6L10 V13 T40 A41 L42 C46 R47 A48L10-A44 HydrophobicContact CD1-CB 4.39Å; L10-A44 HydrophobicContact CG-CB 4.21Å; V13-A44 HydrophobicContact CG1-CB 4.33Å; T40-A44 PolarHBondContact O-N 2.94Å; A41-A44 PolarHBondContact O-N 3.35Å; L42-A44 PolarHBondContact O-N 3Å; A44-C46 VanDerWaalsContact C-N 3.34Å; A44-C46 PolarHBondContact O-N 2.92Å; A44-R47 PolarHBondContact O-N 3.38Å; A44-A48 WeakPolarHBondContact O-CB 3.3Å; A44-A48 PolarHBondContact O-N 2.96Å
45A95.8Very high92Very high0 Ų055.8 Ų55.80%028%0.281CS..Hα-helixtrans-61.8-41.2175.300000112.2V13 A41 L42 M43 K56 M59 V60 L63V13-A45 HydrophobicContact CG1-CB 3.59Å; A41-A45 PolarHBondContact O-N 2.98Å; L42-A45 PolarHBondContact O-N 3.03Å; M43-A45 VanDerWaalsContact C-N 3.31Å; M43-A45 PolarHBondContact O-N 2.96Å; A45-K56 PolarHBondContact O-NZ 3.17Å; A45-M59 HydrophobicContact CB-CG 3.96Å; A45-V60 HydrophobicContact CB-CG2 3.82Å; A45-L63 HydrophobicContact CB-CD1 3.96Å
46C95Very high91.9Very high0 Ų055.2 Ų55.20%028%0.277CS..Hα-helixtrans-64.9-38.1178.2-68.90000112.4L42 M43 A44 K56 H83 A84L42-C46 PolarHBondContact O-N 3.47Å; L42-C46 VanDerWaalsContact O-N 3.11Å; L42-C46 PolarHBondContact O-SG 3.08Å; M43-C46 WeakPolarHBondContact O-CB 3.36Å; M43-C46 PolarHBondContact O-N 3.34Å; M43-C46 VanDerWaalsContact O-N 3.14Å; A44-C46 VanDerWaalsContact C-N 3.34Å; A44-C46 PolarHBondContact O-N 2.92Å; C46-K56 PolarHBondContact O-NZ 3.25Å; C46-H83 HydrophobicContact CB-CB 4.06Å; C46-A84 HydrophobicContact CB-CB 3.99Å
47R91.3Very high91.9Very high130 Ų13053.5 Ų53.549%0.49126%0.263SS..Hα-helixtrans-84.7-30.3-179.1-174.7174.963.979.7-2.5114.7E39 M43 A44E39-R47 IonicContact OE1-CZ 3.32Å; E39-R47 VanDerWaalsContact OE1-CZ 3.32Å; E39-R47 IonicContact OE1-NE 2.84Å; E39-R47 PolarHBondContact OE1-NE 3.01Å; E39-R47 IonicContact OE1-NH2 2.94Å; E39-R47 PolarHBondContact OE1-NH2 3.38Å; E39-R47 IonicContact OE2-NH2 3.02Å; E39-R47 PolarHBondContact OE2-NH2 3Å; M43-R47 PolarHBondContact O-N 3.25Å; A44-R47 PolarHBondContact O-N 3.38Å
48A90.7Very high92Very high12 Ų1254.9 Ų54.910%0.09926%0.263CS..  trans-64.4147.2-172.300000113.3A44 Y50 K56A44-A48 WeakPolarHBondContact O-CB 3.3Å; A44-A48 PolarHBondContact O-N 2.96Å; A48-Y50 HydrophobicContact CB-CD1 3.96Å; A48-Y50 HydrophobicContact CB-CE1 3.31Å; A48-K56 VanDerWaalsContact O-CE 3.31Å; A48-K56 WeakPolarHBondContact O-CE 3.3Å; A48-K56 PolarHBondContact O-NZ 3.37Å
49R88.6Confident92.1Very high228 Ų22854 Ų5486%0.8625%0.254SS*.  trans-95.3112.2171.5-67.5-177.4-179.4-87.4-2.1108.3
50Y89.4Confident92.2Very high32 Ų3253 Ų5313%0.12525%0.249CC..  trans-102.1147.3173.5-56.8-24.8000109.3V13 G16 A48 D52 N55 K56 M59V13-Y50 WeakPolarHBondContact O-CE1 3.33Å; V13-Y50 VanDerWaalsContact O-CZ 3.31Å; V13-Y50 PolarHBondContact O-OH 3.49Å; G16-Y50 VanDerWaalsContact CA-CE1 3.43Å; A48-Y50 HydrophobicContact CB-CD1 3.96Å; A48-Y50 HydrophobicContact CB-CE1 3.31Å; Y50-D52 PolarHBondContact O-N 3.41Å; Y50-N55 HydrophobicContact CD2-CB 4.17Å; Y50-K56 VanDerWaalsContact CD2-CA 3.42Å; Y50-K56 HydrophobicContact CD2-CB 3.71Å; Y50-K56 HydrophobicContact CD2-CG 4.34Å; Y50-K56 HydrophobicContact CE2-CB 4.08Å; Y50-K56 HydrophobicContact CE2-CG 4.32Å; Y50-M59 HydrophobicContact CE2-CB 4.04Å; Y50-M59 HydrophobicContact CE2-CG 4.47Å
51D86.1Confident92.2Very high176 Ų17658.3 Ų58.394%0.94127%0.269SS*.SBendtrans-64-32.4-178.5-54.7-40.1000112.1
52D85.4Confident92.2Very high64 Ų6458.8 Ų58.834%0.34227%0.27SS..SBendtrans-110.4120175.5-177.8-10.8000110.3Y50 Q54 N55Y50-D52 PolarHBondContact O-N 3.41Å; D52-Q54 PolarHBondContact O-N 3.19Å; D52-Q54 VanDerWaalsContact OD1-CB 3.3Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.37Å; D52-Q54 PolarHBondContact OD1-N 3.03Å; D52-N55 HydrophobicContact CB-CB 4.33Å; D52-N55 WeakPolarHBondContact O-CB 3.43Å; D52-N55 PolarHBondContact O-N 3.3Å
53P77.3Confident92.3Very high104 Ų10458.8 Ų58.868%0.67527%0.27SS*.Hα-helixtrans-53.9-32.6174.5-26.234.6000114N55 K56P53-N55 VanDerWaalsContact C-N 3.28Å; P53-N55 PolarHBondContact O-N 3.27Å; P53-K56 WeakPolarHBondContact O-CB 3.14Å; P53-K56 PolarHBondContact O-N 2.97Å
54Q84.3Confident92.3Very high117 Ų11759.2 Ų59.255%0.54727%0.272SS..Hα-helixtrans-68.6-28.9178.6-61-60.7-2700112.1D52 K56 A57 R58D52-Q54 PolarHBondContact O-N 3.19Å; D52-Q54 VanDerWaalsContact OD1-CB 3.3Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.37Å; D52-Q54 PolarHBondContact OD1-N 3.03Å; Q54-K56 PolarHBondContact O-N 2.86Å; Q54-A57 PolarHBondContact O-N 3.35Å; Q54-R58 WeakPolarHBondContact O-CB 3.3Å; Q54-R58 VanDerWaalsContact O-CG 3.26Å; Q54-R58 WeakPolarHBondContact O-CG 3.26Å; Q54-R58 PolarHBondContact O-N 2.92Å
55N89.9Confident92.5Very high61 Ų6164.4 Ų64.433%0.32630%0.296SS..Hα-helixtrans-65.8-28.7175.6-72.8-19.1000111.5Y50 D52 P53 M59Y50-N55 HydrophobicContact CD2-CB 4.17Å; D52-N55 HydrophobicContact CB-CB 4.33Å; D52-N55 WeakPolarHBondContact O-CB 3.43Å; D52-N55 PolarHBondContact O-N 3.3Å; P53-N55 VanDerWaalsContact C-N 3.28Å; P53-N55 PolarHBondContact O-N 3.27Å; N55-M59 WeakPolarHBondContact O-CB 3.47Å; N55-M59 PolarHBondContact O-N 3.11Å
56K92.4Very high92.6Very high19 Ų1968.6 Ų68.68%0.08332%0.316CS..Hα-helixtrans-67.9-52.9177.8-172.8-174.7-82.3-80.90110.6A45 C46 A48 Y50 P53 Q54 R58 M59 V60 V93A45-K56 PolarHBondContact O-NZ 3.17Å; C46-K56 PolarHBondContact O-NZ 3.25Å; A48-K56 VanDerWaalsContact O-CE 3.31Å; A48-K56 WeakPolarHBondContact O-CE 3.3Å; A48-K56 PolarHBondContact O-NZ 3.37Å; Y50-K56 VanDerWaalsContact CD2-CA 3.42Å; Y50-K56 HydrophobicContact CD2-CB 3.71Å; Y50-K56 HydrophobicContact CD2-CG 4.34Å; Y50-K56 HydrophobicContact CE2-CB 4.08Å; Y50-K56 HydrophobicContact CE2-CG 4.32Å; P53-K56 WeakPolarHBondContact O-CB 3.14Å; P53-K56 PolarHBondContact O-N 2.97Å; Q54-K56 PolarHBondContact O-N 2.86Å; K56-R58 VanDerWaalsContact C-N 3.28Å; K56-R58 PolarHBondContact O-N 3.2Å; K56-M59 PolarHBondContact O-N 3.43Å; K56-V60 WeakPolarHBondContact O-CG2 3.36Å; K56-V60 PolarHBondContact O-N 3Å; K56-V93 HydrophobicContact CD-CG2 3.75Å; K56-V93 HydrophobicContact CG-CG2 3.82Å
57A93.9Very high92.7Very high15 Ų1570.8 Ų70.812%0.12434%0.338CS..Hα-helixtrans-59.3-39.5176.800000112.1Q54 R61 L96Q54-A57 PolarHBondContact O-N 3.35Å; A57-R61 WeakPolarHBondContact O-CB 3.46Å; A57-R61 PolarHBondContact O-N 2.95Å; A57-L96 HydrophobicContact CB-CD1 4.05Å
58R95.9Very high93.1Very high144 Ų14464.9 Ų64.954%0.54332%0.318SS..Hα-helixtrans-64.7-43.7176.4-74.6172.9178179.9-0.5113L18 Q54 K56 Y62L18-R58 HydrophobicContact CD2-CB 4.35Å; Q54-R58 WeakPolarHBondContact O-CB 3.3Å; Q54-R58 VanDerWaalsContact O-CG 3.26Å; Q54-R58 WeakPolarHBondContact O-CG 3.26Å; Q54-R58 PolarHBondContact O-N 2.92Å; K56-R58 VanDerWaalsContact C-N 3.28Å; K56-R58 PolarHBondContact O-N 3.2Å; R58-Y62 VanDerWaalsContact O-CB 3.3Å; R58-Y62 WeakPolarHBondContact O-CB 3.42Å; R58-Y62 PolarHBondContact O-N 3Å
59M97.3Very high93.5Very high1 Ų167.7 Ų67.71%0.00533%0.331CS..Hα-helixtrans-64.9-49.3177.5-174.67180.100111.1V13 L18 A21 A45 Y50 N55 K56 R61 Y62 L63V13-M59 HydrophobicContact CB-SD 4.48Å; V13-M59 HydrophobicContact CG1-CG 3.97Å; V13-M59 HydrophobicContact CG1-SD 4.37Å; V13-M59 HydrophobicContact CG2-CE 4.44Å; V13-M59 HydrophobicContact CG2-CG 4.48Å; V13-M59 HydrophobicContact CG2-SD 3.89Å; L18-M59 HydrophobicContact CB-CE 4.02Å; L18-M59 HydrophobicContact CD1-CE 4.3Å; L18-M59 HydrophobicContact CD1-SD 3.74Å; A21-M59 HydrophobicContact CB-CE 4.43Å; A21-M59 HydrophobicContact CB-SD 4.06Å; A45-M59 HydrophobicContact CB-CG 3.96Å; Y50-M59 HydrophobicContact CE2-CB 4.04Å; Y50-M59 HydrophobicContact CE2-CG 4.47Å; N55-M59 WeakPolarHBondContact O-CB 3.47Å; N55-M59 PolarHBondContact O-N 3.11Å; K56-M59 PolarHBondContact O-N 3.43Å; M59-R61 PolarHBondContact O-N 3.17Å; M59-Y62 PolarHBondContact O-N 3.35Å; M59-L63 HydrophobicContact CG-CD1 4.18Å; M59-L63 WeakPolarHBondContact O-CG 3.48Å; M59-L63 PolarHBondContact O-N 3.5Å
60V97.3Very high93.9Very high0 Ų057.3 Ų57.30%029%0.293CS..Hα-helixtrans-58.8-50.3178.9169.10000110.8L42 A45 K56 Y62 L63 L64 V93 L97L42-V60 HydrophobicContact CD1-CG1 3.97Å; A45-V60 HydrophobicContact CB-CG2 3.82Å; K56-V60 WeakPolarHBondContact O-CG2 3.36Å; K56-V60 PolarHBondContact O-N 3Å; V60-Y62 VanDerWaalsContact C-N 3.31Å; V60-Y62 PolarHBondContact O-N 3.43Å; V60-L63 PolarHBondContact O-N 2.98Å; V60-L64 HydrophobicContact CG1-CD1 3.8Å; V60-L64 HydrophobicContact CG1-CG 4.49Å; V60-L64 WeakPolarHBondContact O-CG 3.5Å; V60-L64 PolarHBondContact O-N 3.18Å; V60-V93 HydrophobicContact CG1-CG1 4.3Å; V60-V93 HydrophobicContact CG2-CG1 4.02Å; V60-V93 HydrophobicContact CG2-CG2 4.5Å; V60-L97 HydrophobicContact CG1-CD2 4.25Å; V60-L97 HydrophobicContact CG1-CG 4.47Å
61R97.8Very high94.4Very high114 Ų11458.4 Ų58.443%0.4330%0.301SS..Hα-helixtrans-56.1-47.5177.4-177.4-171-57.9-80.61.3111.4A57 M59 L63 L64 E65A57-R61 WeakPolarHBondContact O-CB 3.46Å; A57-R61 PolarHBondContact O-N 2.95Å; M59-R61 PolarHBondContact O-N 3.17Å; R61-L63 PolarHBondContact O-N 2.83Å; R61-L64 PolarHBondContact O-N 3.25Å; R61-E65 WeakPolarHBondContact CD-OE1 3.2Å; R61-E65 HydrophobicContact CG-CG 4.32Å; R61-E65 VanDerWaalsContact CG-OE1 3.28Å; R61-E65 WeakPolarHBondContact CG-OE1 3.44Å; R61-E65 WeakPolarHBondContact O-CB 3.48Å; R61-E65 VanDerWaalsContact O-CG 3.31Å; R61-E65 WeakPolarHBondContact O-CG 3.15Å; R61-E65 PolarHBondContact O-N 3.11Å
62Y98.4Very high95Very high13 Ų1352.4 Ų52.45%0.05127%0.269CS..Hα-helixtrans-61.5-44.6-179.4177.3-113.5000112L18 R22 L25 R58 M59 V60 L64 E65 Q66L18-Y62 HydrophobicContact CD1-CD1 3.87Å; L18-Y62 HydrophobicContact CD1-CG 4.17Å; R22-Y62 WeakPolarHBondContact CA-OH 2.85Å; R22-Y62 HydrophobicContact CB-CE1 4.23Å; R22-Y62 HydrophobicContact CG-CD1 4.12Å; R22-Y62 HydrophobicContact CG-CE1 3.43Å; R22-Y62 VanDerWaalsContact CG-CE1 3.43Å; R22-Y62 HydrophobicContact CG-CE2 3.98Å; L25-Y62 HydrophobicContact CD1-CD1 4.47Å; L25-Y62 HydrophobicContact CD1-CE1 3.71Å; R58-Y62 VanDerWaalsContact O-CB 3.3Å; R58-Y62 WeakPolarHBondContact O-CB 3.42Å; R58-Y62 PolarHBondContact O-N 3Å; M59-Y62 PolarHBondContact O-N 3.35Å; V60-Y62 VanDerWaalsContact C-N 3.31Å; V60-Y62 PolarHBondContact O-N 3.43Å; Y62-L64 VanDerWaalsContact C-N 3.34Å; Y62-L64 PolarHBondContact O-N 3.27Å; Y62-E65 WeakPolarHBondContact O-CB 3.33Å; Y62-E65 PolarHBondContact O-N 3.46Å; Y62-Q66 HydrophobicContact CD2-CG 4.23Å; Y62-Q66 HydrophobicContact CE1-CG 4.09Å; Y62-Q66 HydrophobicContact CE2-CG 3.69Å; Y62-Q66 WeakPolarHBondContact O-CG 3.44Å; Y62-Q66 PolarHBondContact O-N 3Å
63L98.5Very high95.6Very high0 Ų051.8 Ų51.80%027%0.272CS..Hα-helixtrans-60.4-43.2176.8-67.8170.8000111.8V13 L25 V31 A41 L42 A45 M59 V60 R61 Q66 G67 A68V13-L63 HydrophobicContact CG1-CD1 4.1Å; V13-L63 HydrophobicContact CG2-CD1 4.17Å; V13-L63 HydrophobicContact CG2-CD2 4.24Å; L25-L63 HydrophobicContact CD1-CD2 4.01Å; V31-L63 HydrophobicContact CG2-CD2 4.07Å; A41-L63 HydrophobicContact CB-CD1 4.21Å; A41-L63 HydrophobicContact CB-CD2 4.12Å; L42-L63 HydrophobicContact CD1-CB 4.19Å; L42-L63 HydrophobicContact CD1-CD1 4.44Å; A45-L63 HydrophobicContact CB-CD1 3.96Å; M59-L63 HydrophobicContact CG-CD1 4.18Å; M59-L63 WeakPolarHBondContact O-CG 3.48Å; M59-L63 PolarHBondContact O-N 3.5Å; V60-L63 PolarHBondContact O-N 2.98Å; R61-L63 PolarHBondContact O-N 2.83Å; L63-Q66 CarbonylContact O-C 3.54Å; L63-Q66 PolarHBondContact O-N 3.4Å; L63-Q66 VanDerWaalsContact O-N 3.13Å; L63-G67 PolarHBondContact O-N 3.39Å; L63-A68 HydrophobicContact CB-CB 4.06Å; L63-A68 WeakPolarHBondContact O-CB 3.15Å; L63-A68 PolarHBondContact O-N 3.07Å
64L98.6Very high96.5Very high10 Ų1047.5 Ų47.55%0.05224%0.244CC..Hα-helixtrans-62.8-41.5175.4-67.3166.3000112.1L42 V60 R61 Y62 Q66 G67 P70 L97 H100L42-L64 HydrophobicContact CD1-CD2 4.25Å; L42-L64 HydrophobicContact CD1-CG 4.14Å; L42-L64 HydrophobicContact CD2-CD2 3.73Å; L42-L64 HydrophobicContact CD2-CG 4.49Å; V60-L64 HydrophobicContact CG1-CD1 3.8Å; V60-L64 HydrophobicContact CG1-CG 4.49Å; V60-L64 WeakPolarHBondContact O-CG 3.5Å; V60-L64 PolarHBondContact O-N 3.18Å; R61-L64 PolarHBondContact O-N 3.25Å; Y62-L64 VanDerWaalsContact C-N 3.34Å; Y62-L64 PolarHBondContact O-N 3.27Å; L64-Q66 PolarHBondContact O-N 3.14Å; L64-G67 PolarHBondContact O-N 3.29Å; L64-P70 HydrophobicContact CD2-CB 4.4Å; L64-L97 HydrophobicContact CD1-CD2 4.31Å; L64-L97 HydrophobicContact CD2-CD2 4.36Å; L64-H100 HydrophobicContact CD1-CB 4.06Å; L64-H100 HydrophobicContact CD2-CB 3.88Å; L64-H100 HydrophobicContact CG-CB 4.39Å
65E98.2Very high97.2Very high113 Ų11351 Ų5153%0.52825%0.252SS..Hα-helixtrans-63.8-25.6174.1-73.4168.1177.500112.7R61 Y62 G67R61-E65 WeakPolarHBondContact CD-OE1 3.2Å; R61-E65 HydrophobicContact CG-CG 4.32Å; R61-E65 VanDerWaalsContact CG-OE1 3.28Å; R61-E65 WeakPolarHBondContact CG-OE1 3.44Å; R61-E65 WeakPolarHBondContact O-CB 3.48Å; R61-E65 VanDerWaalsContact O-CG 3.31Å; R61-E65 WeakPolarHBondContact O-CG 3.15Å; R61-E65 PolarHBondContact O-N 3.11Å; Y62-E65 WeakPolarHBondContact O-CB 3.33Å; Y62-E65 PolarHBondContact O-N 3.46Å; E65-G67 VanDerWaalsContact C-N 3.27Å
66Q98.3Very high97.5Very high87 Ų8754.3 Ų54.341%0.40727%0.269SS..THydrogen-bonded Turntrans-878.2172.7-61.4-53.4-76.100113.2L25 V31 Y62 L63 L64L25-Q66 HydrophobicContact CD1-CB 3.99Å; L25-Q66 HydrophobicContact CD1-CG 3.75Å; V31-Q66 HydrophobicContact CG2-CB 4.38Å; Y62-Q66 HydrophobicContact CD2-CG 4.23Å; Y62-Q66 HydrophobicContact CE1-CG 4.09Å; Y62-Q66 HydrophobicContact CE2-CG 3.69Å; Y62-Q66 WeakPolarHBondContact O-CG 3.44Å; Y62-Q66 PolarHBondContact O-N 3Å; L63-Q66 CarbonylContact O-C 3.54Å; L63-Q66 PolarHBondContact O-N 3.4Å; L63-Q66 VanDerWaalsContact O-N 3.13Å; L64-Q66 PolarHBondContact O-N 3.14Å
67G98.1Very high97.8Very high46 Ų4655.5 Ų55.547%0.47429%0.286SS..THydrogen-bonded Turntrans8523.2176.700000114.6N32 L63 L64 E65 D69N32-G67 PolarHBondContact ND2-O 3.41Å; N32-G67 VanDerWaalsContact ND2-O 3.15Å; L63-G67 PolarHBondContact O-N 3.39Å; L64-G67 PolarHBondContact O-N 3.29Å; E65-G67 VanDerWaalsContact C-N 3.27Å; G67-D69 PolarHBondContact O-N 3.05Å
68A98.5Very high97.9Very high7 Ų759.5 Ų59.56%0.05830%0.298CS..  trans-59.4128.4168.600000110.4V31 N32 L42 L63 P70V31-A68 HydrophobicContact CG2-CB 3.8Å; N32-A68 VanDerWaalsContact OD1-CA 3.27Å; N32-A68 WeakPolarHBondContact OD1-CA 3.35Å; L42-A68 HydrophobicContact CB-CB 4.21Å; L42-A68 HydrophobicContact CD2-CB 3.98Å; L63-A68 HydrophobicContact CB-CB 4.06Å; L63-A68 WeakPolarHBondContact O-CB 3.15Å; L63-A68 PolarHBondContact O-N 3.07Å; A68-P70 WeakPolarHBondContact O-CD 3.29Å
69D98.6Very high98Very high70 Ų7053.2 Ų53.237%0.37428%0.276SS..  trans-85.1114.1176.4-178.6-9.8000109.4N32 G67 N71 I72N32-D69 PolarHBondContact OD1-N 2.96Å; G67-D69 PolarHBondContact O-N 3.05Å; D69-N71 PolarHBondContact O-N 3.11Å; D69-N71 WeakPolarHBondContact OD1-CB 3.3Å; D69-N71 PolarHBondContact OD1-N 3.33Å; D69-I72 HydrophobicContact CB-CD1 3.89Å; D69-I72 HydrophobicContact CB-CG1 3.91Å
70P98.5Very high98Very high10 Ų1053.2 Ų53.27%0.06528%0.276CS..THydrogen-bonded Turntrans-70.5-15.9-179.130.7-35.3000114.2L42 L64 A68 L97 A102L42-P70 HydrophobicContact CD2-CB 3.99Å; L64-P70 HydrophobicContact CD2-CB 4.4Å; A68-P70 WeakPolarHBondContact O-CD 3.29Å; P70-L97 HydrophobicContact CB-CD2 4.13Å; P70-A102 HydrophobicContact CB-CB 3.83Å; P70-A102 HydrophobicContact CG-CB 4.16Å
71N98.6Very high98Very high56 Ų5654.4 Ų54.430%0.29928%0.282SS..THydrogen-bonded Turntrans-97.7-1-173.2-62.9-32.3000113.3D69 A73 G101 A102 D103D69-N71 PolarHBondContact O-N 3.11Å; D69-N71 WeakPolarHBondContact OD1-CB 3.3Å; D69-N71 PolarHBondContact OD1-N 3.33Å; N71-A73 PolarHBondContact O-N 2.98Å; N71-G101 PolarHBondContact ND2-O 2.82Å; N71-A102 VanDerWaalsContact OD1-CA 3.27Å; N71-A102 WeakPolarHBondContact OD1-CA 3.31Å; N71-D103 PolarHBondContact OD1-N 3.13Å; N71-D103 VanDerWaalsContact OD1-N 3.1Å; N71-D103 PolarHBondContact OD1-OD1 3.43Å
72I98.4Very high97.9Very high50 Ų5053.4 Ų53.426%0.25628%0.284SS..  trans-58.1130.9166.1-65.4172.5000108N32 T40 M43 D69N32-I72 HydrophobicContact CB-CD1 3.66Å; T40-I72 HydrophobicContact CG2-CB 4.18Å; T40-I72 HydrophobicContact CG2-CD1 4.24Å; T40-I72 HydrophobicContact CG2-CG2 3.66Å; M43-I72 HydrophobicContact CE-CB 4.45Å; M43-I72 HydrophobicContact CE-CG2 4.14Å; M43-I72 WeakPolarHBondContact CE-O 3.41Å; D69-I72 HydrophobicContact CB-CD1 3.89Å; D69-I72 HydrophobicContact CB-CG1 3.91Å
73A98Very high97.7Very high51 Ų5153.2 Ų53.242%0.42128%0.283SS..  trans-103.7138.1176.100000110.5N71N71-A73 PolarHBondContact O-N 2.98Å
74D97.5Very high97.5Very high13 Ų1353.4 Ų53.47%0.0729%0.285CS..  trans-69.5177.7170.272.713.4000111M43 L76 G77 R78 H83M43-D74 HydrophobicContact CE-CB 4.24Å; M43-D74 HydrophobicContact SD-CB 3.93Å; D74-L76 PolarHBondContact O-N 3.44Å; D74-L76 VanDerWaalsContact OD1-CA 3.31Å; D74-L76 WeakPolarHBondContact OD1-CA 3.47Å; D74-L76 WeakPolarHBondContact OD1-CB 3.38Å; D74-L76 PolarHBondContact OD1-N 2.8Å; D74-G77 PolarHBondContact O-N 3.46Å; D74-G77 PolarHBondContact OD1-N 3.18Å; D74-R78 PolarHBondContact N-O 3.42Å; D74-R78 WeakPolarHBondContact OD1-CB 3.35Å; D74-R78 PolarHBondContact OD1-N 3.42Å; D74-R78 IonicContact OD1-NE 3.64Å; D74-R78 IonicContact OD2-CZ 3.25Å; D74-R78 VanDerWaalsContact OD2-CZ 3.25Å; D74-R78 IonicContact OD2-NE 2.91Å; D74-R78 PolarHBondContact OD2-NE 2.97Å; D74-R78 IonicContact OD2-NH2 2.76Å; D74-R78 PolarHBondContact OD2-NH2 3.47Å; D74-H83 IonicContact OD2-CE1 3.55Å; D74-H83 IonicContact OD2-NE2 3.07Å; D74-H83 PolarHBondContact OD2-NE2 3.3Å; D74-H83 VanDerWaalsContact OD2-NE2 3.07Å
75R97.7Very high97.1Very high192 Ų19257.3 Ų57.373%0.72531%0.312SS*.THydrogen-bonded Turntrans-62.8-12.7179.5-72.6-177.5-176.1179.43.6114.8A36 Q37A36-R75 PolarHBondContact O-NE 3.09Å; A36-R75 PolarHBondContact O-NH1 2.89Å; A36-R75 PolarHBondContact O-NH2 3.18Å; Q37-R75 WeakPolarHBondContact O-CB 3.36Å; Q37-R75 VanDerWaalsContact O-CG 3.31Å; Q37-R75 WeakPolarHBondContact O-CG 3.33Å; Q37-R75 PolarHBondContact O-N 2.59Å
76L97.3Very high96.6Very high129 Ų12956.2 Ų56.268%0.67532%0.322SS*.THydrogen-bonded Turntrans-97.26.9173.8-57.6-176.2000112.2D74 R78D74-L76 PolarHBondContact O-N 3.44Å; D74-L76 VanDerWaalsContact OD1-CA 3.31Å; D74-L76 WeakPolarHBondContact OD1-CA 3.47Å; D74-L76 WeakPolarHBondContact OD1-CB 3.38Å; D74-L76 PolarHBondContact OD1-N 2.8Å; L76-R78 VanDerWaalsContact C-N 3.32Å; L76-R78 HydrophobicContact CB-CG 4.3Å
77G97.9Very high95.4Very high44 Ų4453.3 Ų53.345%0.45432%0.315SS..SBendtrans7715.4-178.200000113.8D74D74-G77 PolarHBondContact O-N 3.46Å; D74-G77 PolarHBondContact OD1-N 3.18Å
78R97.3Very high94Very high100 Ų10054.2 Ų54.238%0.37733%0.325SS..  trans-93.6128.7-176.6-57.9174.9-61.4179.33.5111.3M43 D74 L76 M82 H83M43-R78 WeakPolarHBondContact CE-O 3.46Å; D74-R78 PolarHBondContact N-O 3.42Å; D74-R78 WeakPolarHBondContact OD1-CB 3.35Å; D74-R78 PolarHBondContact OD1-N 3.42Å; D74-R78 IonicContact OD1-NE 3.64Å; D74-R78 IonicContact OD2-CZ 3.25Å; D74-R78 VanDerWaalsContact OD2-CZ 3.25Å; D74-R78 IonicContact OD2-NE 2.91Å; D74-R78 PolarHBondContact OD2-NE 2.97Å; D74-R78 IonicContact OD2-NH2 2.76Å; D74-R78 PolarHBondContact OD2-NH2 3.47Å; L76-R78 VanDerWaalsContact C-N 3.32Å; L76-R78 HydrophobicContact CB-CG 4.3Å; R78-M82 HydrophobicContact CB-CB 4.33Å; R78-M82 HydrophobicContact CB-SD 4.29Å; R78-M82 HydrophobicContact CG-SD 4.49Å; R78-H83 VanDerWaalsContact CZ-CE1 3.49Å
79T97.9Very high92.3Very high11 Ų1154.3 Ų54.37%0.06733%0.327CS..  trans-88.7170.617566.20000111.8L81 M82 H83T79-L81 PolarHBondContact O-N 3.35Å; T79-M82 HydrophobicContact CG2-CE 4.38Å; T79-M82 PolarHBondContact O-N 2.94Å; T79-M82 VanDerWaalsContact O-N 3.17Å; T79-H83 PolarHBondContact O-CD2 2.88Å; T79-H83 PolarHBondContact O-N 2.99Å; T79-H83 VanDerWaalsContact O-N 3.11Å
80A97.3Very high91.1Very high1 Ų153 Ų531%0.00833%0.33CS..Hα-helixtrans-56.6-36.3175.700000112.5L42 M43 H83 A84 L97L42-A80 HydrophobicContact CD2-CB 3.92Å; L42-A80 HydrophobicContact CG-CB 3.78Å; M43-A80 HydrophobicContact CG-CB 4.38Å; A80-H83 PolarHBondContact O-N 3.47Å; A80-A84 WeakPolarHBondContact O-CB 3.37Å; A80-A84 PolarHBondContact O-N 3.22Å; A80-L97 HydrophobicContact CB-CD1 4.33Å; A80-L97 HydrophobicContact CB-CD2 3.99Å
81L96.8Very high90.5Very high25 Ų2556.5 Ų56.513%0.13136%0.359CS..Hα-helixtrans-64.8-44177.6-177.359.3000111.7T79 H83 A84 C85 A94 L97 L98 A102T79-L81 PolarHBondContact O-N 3.35Å; L81-H83 VanDerWaalsContact C-N 3.33Å; L81-H83 PolarHBondContact O-N 2.92Å; L81-A84 WeakPolarHBondContact O-CB 3.31Å; L81-A84 PolarHBondContact O-N 3.46Å; L81-A84 VanDerWaalsContact O-N 3.17Å; L81-C85 PolarHBondContact O-N 3.15Å; L81-C85 PolarHBondContact O-SG 2.86Å; L81-C85 VanDerWaalsContact O-SG 3.35Å; L81-A94 HydrophobicContact CD1-CB 3.92Å; L81-L97 HydrophobicContact CB-CD1 4.31Å; L81-L97 HydrophobicContact CD1-CB 4.4Å; L81-L97 HydrophobicContact CD1-CD1 4.25Å; L81-L98 HydrophobicContact CD2-CD2 3.82Å; L81-L98 HydrophobicContact CD2-CG 4.47Å; L81-A102 HydrophobicContact CB-CB 4.3Å; L81-A102 HydrophobicContact CD2-CB 4.33Å
82M95.7Very high90Very high94 Ų9456.8 Ų56.846%0.46337%0.37SS..Hα-helixtrans-61.6-42176.2-61.5-178.7-168.300111.7R78 T79 C85 A86R78-M82 HydrophobicContact CB-CB 4.33Å; R78-M82 HydrophobicContact CB-SD 4.29Å; R78-M82 HydrophobicContact CG-SD 4.49Å; T79-M82 HydrophobicContact CG2-CE 4.38Å; T79-M82 PolarHBondContact O-N 2.94Å; T79-M82 VanDerWaalsContact O-N 3.17Å; M82-C85 PolarHBondContact O-N 2.88Å; M82-A86 WeakPolarHBondContact O-CB 3.3Å; M82-A86 PolarHBondContact O-N 3.29Å
83H94.4Very high89.8Confident9 Ų954.5 Ų54.54%0.04236%0.358CS..Hα-helixtrans-63.7-39.2174.5-77.1-75.2000112.4C46 D74 R78 T79 A80 L81 A86 G87C46-H83 HydrophobicContact CB-CB 4.06Å; D74-H83 IonicContact OD2-CE1 3.55Å; D74-H83 IonicContact OD2-NE2 3.07Å; D74-H83 PolarHBondContact OD2-NE2 3.3Å; D74-H83 VanDerWaalsContact OD2-NE2 3.07Å; R78-H83 VanDerWaalsContact CZ-CE1 3.49Å; T79-H83 PolarHBondContact O-CD2 2.88Å; T79-H83 PolarHBondContact O-N 2.99Å; T79-H83 VanDerWaalsContact O-N 3.11Å; A80-H83 PolarHBondContact O-N 3.47Å; L81-H83 VanDerWaalsContact C-N 3.33Å; L81-H83 PolarHBondContact O-N 2.92Å; H83-A86 PolarHBondContact O-N 2.92Å; H83-G87 PolarHBondContact O-N 2.98Å
84A93.2Very high89.7Confident4 Ų453 Ų533%0.03335%0.346CS..Hα-helixtrans-63.9-42.1177.200000112C46 A80 L81 G89 V93 L97C46-A84 HydrophobicContact CB-CB 3.99Å; A80-A84 WeakPolarHBondContact O-CB 3.37Å; A80-A84 PolarHBondContact O-N 3.22Å; L81-A84 WeakPolarHBondContact O-CB 3.31Å; L81-A84 PolarHBondContact O-N 3.46Å; L81-A84 VanDerWaalsContact O-N 3.17Å; A84-G89 PolarHBondContact O-N 3Å; A84-V93 HydrophobicContact CB-CG1 3.85Å; A84-L97 HydrophobicContact CB-CD1 3.9Å
85C91Very high89.5Confident91 Ų9155.9 Ų55.962%0.61537%0.367SS*.Hα-helixtrans-65.7-43176.9-69.10000112.1L81 M82L81-C85 PolarHBondContact O-N 3.15Å; L81-C85 PolarHBondContact O-SG 2.86Å; L81-C85 VanDerWaalsContact O-SG 3.35Å; M82-C85 PolarHBondContact O-N 2.88Å
86A88.2Confident89.5Confident90 Ų9047.7 Ų47.774%0.74434%0.337SS*.Hα-helixtrans-74.3-36-179.700000113.5M82 H83 G88M82-A86 WeakPolarHBondContact O-CB 3.3Å; M82-A86 PolarHBondContact O-N 3.29Å; H83-A86 PolarHBondContact O-N 2.92Å; A86-G88 VanDerWaalsContact C-N 3.31Å; A86-G88 PolarHBondContact O-N 3.22Å
87G73.2Confident89.5Confident26 Ų2641.6 Ų41.627%0.26831%0.305SS..THydrogen-bonded Turntrans-82.2-1.9-174.200000115.3H83 G89H83-G87 PolarHBondContact O-N 2.98Å; G87-G89 VanDerWaalsContact C-N 3.3Å
88G67.9Low89.4Confident65 Ų6544 Ų4467%0.6731%0.307SS*.THydrogen-bonded Turntrans68.929.4-172.400000112.6A86 G90A86-G88 VanDerWaalsContact C-N 3.31Å; A86-G88 PolarHBondContact O-N 3.22Å; G88-G90 PolarHBondContact O-N 2.79Å
89G63Low89.5Confident10 Ų1043.2 Ų43.210%0.10332%0.322CS..  trans-60.3-9.4-179.500000114.5A84 G87 V93A84-G89 PolarHBondContact O-N 3Å; G87-G89 VanDerWaalsContact C-N 3.3Å; G89-V93 WeakPolarHBondContact O-CB 3.48Å; G89-V93 WeakPolarHBondContact O-CG2 3.31Å
90G73.6Confident89.5Confident43 Ų4346.7 Ų46.744%0.44334%0.337SS..Hα-helixtrans81.9153.4174.600000112.2G88 A92 V93 A94G88-G90 PolarHBondContact O-N 2.79Å; G90-A92 PolarHBondContact O-N 3.08Å; G90-A92 VanDerWaalsContact O-N 3.07Å; G90-V93 PolarHBondContact O-N 2.93Å; G90-A94 PolarHBondContact O-N 3.07Å
91A85.4Confident89.5Confident82 Ų8248.8 Ų48.868%0.67836%0.359SS*.Hα-helixtrans-52.4-34.1-17900000112.7V93 A94 S95A91-V93 PolarHBondContact O-N 3.26Å; A91-A94 PolarHBondContact O-N 2.98Å; A91-S95 WeakPolarHBondContact O-CB 3.43Å; A91-S95 PolarHBondContact O-N 2.76Å; A91-S95 PolarHBondContact O-OG 2.91Å; A91-S95 VanDerWaalsContact O-OG 3.1Å
92A89.1Confident89.5Confident63 Ų6348 Ų4852%0.52136%0.356SS..Hα-helixtrans-61-39.7178.700000113.9G90 L96G90-A92 PolarHBondContact O-N 3.08Å; G90-A92 VanDerWaalsContact O-N 3.07Å; A92-L96 WeakPolarHBondContact O-CG 3.28Å; A92-L96 PolarHBondContact O-N 3.02Å; A92-L96 VanDerWaalsContact O-N 3.1Å
93V93.8Very high89.3Confident2 Ų251 Ų511%0.01237%0.374CS..Hα-helixtrans-72.8-41.3178.8169.90000110.7K56 V60 A84 G89 G90 A91 L96 L97K56-V93 HydrophobicContact CD-CG2 3.75Å; K56-V93 HydrophobicContact CG-CG2 3.82Å; V60-V93 HydrophobicContact CG1-CG1 4.3Å; V60-V93 HydrophobicContact CG2-CG1 4.02Å; V60-V93 HydrophobicContact CG2-CG2 4.5Å; A84-V93 HydrophobicContact CB-CG1 3.85Å; G89-V93 WeakPolarHBondContact O-CB 3.48Å; G89-V93 WeakPolarHBondContact O-CG2 3.31Å; G90-V93 PolarHBondContact O-N 2.93Å; A91-V93 PolarHBondContact O-N 3.26Å; V93-L96 WeakPolarHBondContact O-CB 3.38Å; V93-L96 PolarHBondContact O-N 3.41Å; V93-L97 HydrophobicContact CG1-CD1 4.12Å; V93-L97 WeakPolarHBondContact O-CG 3.46Å; V93-L97 PolarHBondContact O-N 2.76Å
94A94.6Very high89Confident20 Ų2053.1 Ų53.117%0.16539%0.391CS..Hα-helixtrans-60.5-46.3174.700000111.3L81 G90 A91 L96 L97 L98L81-A94 HydrophobicContact CD1-CB 3.92Å; G90-A94 PolarHBondContact O-N 3.07Å; A91-A94 PolarHBondContact O-N 2.98Å; A94-L96 VanDerWaalsContact C-N 3.28Å; A94-L96 PolarHBondContact O-N 2.88Å; A94-L97 PolarHBondContact O-N 3.02Å; A94-L98 VanDerWaalsContact O-CG 3.31Å; A94-L98 WeakPolarHBondContact O-CG 3.35Å; A94-L98 PolarHBondContact O-N 2.94Å
95S94.8Very high88.8Confident72 Ų7255.7 Ų55.750%0.50341%0.409SS..Hα-helixtrans-58.2-39174.9-65.30000112.8A91 A99A91-S95 WeakPolarHBondContact O-CB 3.43Å; A91-S95 PolarHBondContact O-N 2.76Å; A91-S95 PolarHBondContact O-OG 2.91Å; A91-S95 VanDerWaalsContact O-OG 3.1Å; S95-A99 VanDerWaalsContact O-CB 3.31Å; S95-A99 WeakPolarHBondContact O-CB 3.44Å; S95-A99 PolarHBondContact O-N 2.84Å
96L96.2Very high88.7Confident21 Ų2153.7 Ų53.711%0.1140%0.398CS..Hα-helixtrans-64.5-47176-78.2167.7000111.8A57 A92 V93 A94 L98 A99 H100A57-L96 HydrophobicContact CB-CD1 4.05Å; A92-L96 WeakPolarHBondContact O-CG 3.28Å; A92-L96 PolarHBondContact O-N 3.02Å; A92-L96 VanDerWaalsContact O-N 3.1Å; V93-L96 WeakPolarHBondContact O-CB 3.38Å; V93-L96 PolarHBondContact O-N 3.41Å; A94-L96 VanDerWaalsContact C-N 3.28Å; A94-L96 PolarHBondContact O-N 2.88Å; L96-L98 PolarHBondContact O-N 3.45Å; L96-A99 PolarHBondContact O-N 3.34Å; L96-H100 PolarHBondContact O-CD2 2.97Å; L96-H100 VanDerWaalsContact O-CD2 3.24Å; L96-H100 PolarHBondContact O-N 2.66Å; L96-H100 VanDerWaalsContact O-N 3.16Å
97L97.6Very high88.7Confident0 Ų051.6 Ų51.60%038%0.378CS..Hα-helixtrans-60.4-46.9178.6-68.9167.5000111.4L42 V60 L64 P70 A80 L81 A84 V93 A94 A99 H100 G101 A102L42-L97 HydrophobicContact CD1-CD2 4.09Å; L42-L97 HydrophobicContact CD2-CD2 3.97Å; L42-L97 HydrophobicContact CG-CD2 4.17Å; V60-L97 HydrophobicContact CG1-CD2 4.25Å; V60-L97 HydrophobicContact CG1-CG 4.47Å; L64-L97 HydrophobicContact CD1-CD2 4.31Å; L64-L97 HydrophobicContact CD2-CD2 4.36Å; P70-L97 HydrophobicContact CB-CD2 4.13Å; A80-L97 HydrophobicContact CB-CD1 4.33Å; A80-L97 HydrophobicContact CB-CD2 3.99Å; L81-L97 HydrophobicContact CB-CD1 4.31Å; L81-L97 HydrophobicContact CD1-CB 4.4Å; L81-L97 HydrophobicContact CD1-CD1 4.25Å; A84-L97 HydrophobicContact CB-CD1 3.9Å; V93-L97 HydrophobicContact CG1-CD1 4.12Å; V93-L97 WeakPolarHBondContact O-CG 3.46Å; V93-L97 PolarHBondContact O-N 2.76Å; A94-L97 PolarHBondContact O-N 3.02Å; L97-A99 VanDerWaalsContact C-N 3.33Å; L97-A99 PolarHBondContact O-N 2.75Å; L97-H100 CarbonylContact O-C 3.34Å; L97-H100 WeakPolarHBondContact O-CA 3.2Å; L97-H100 PolarHBondContact O-N 2.87Å; L97-G101 PolarHBondContact O-N 3.34Å; L97-A102 VanDerWaalsContact C-CB 3.46Å; L97-A102 HydrophobicContact CB-CB 3.78Å; L97-A102 VanDerWaalsContact O-CB 3.25Å; L97-A102 WeakPolarHBondContact O-CB 3.31Å; L97-A102 PolarHBondContact O-N 2.88Å
98L97.4Very high89.7Confident96 Ų9653.2 Ų53.250%0.50339%0.385SS..Hα-helixtrans-60.5-41.3177.1-68.3170.2000112.1L81 A94 L96 H100 G101 A102L81-L98 HydrophobicContact CD2-CD2 3.82Å; L81-L98 HydrophobicContact CD2-CG 4.47Å; A94-L98 VanDerWaalsContact O-CG 3.31Å; A94-L98 WeakPolarHBondContact O-CG 3.35Å; A94-L98 PolarHBondContact O-N 2.94Å; L96-L98 PolarHBondContact O-N 3.45Å; L98-H100 PolarHBondContact O-N 2.88Å; L98-G101 PolarHBondContact O-N 3.38Å; L98-A102 WeakPolarHBondContact CD2-O 3.48Å
99A97.9Very high91.1Very high83 Ų8352.4 Ų52.469%0.68637%0.366SS*.Hα-helixtrans-64.2-20.2175.700000113.2S95 L96 L97S95-A99 VanDerWaalsContact O-CB 3.31Å; S95-A99 WeakPolarHBondContact O-CB 3.44Å; S95-A99 PolarHBondContact O-N 2.84Å; L96-A99 PolarHBondContact O-N 3.34Å; L97-A99 VanDerWaalsContact C-N 3.33Å; L97-A99 PolarHBondContact O-N 2.75Å
100H98.1Very high93.1Very high83 Ų8355.4 Ų55.438%0.38438%0.384SS..THydrogen-bonded Turntrans-10318.6174.9-76.7-95.9000113L64 L96 L97 L98L64-H100 HydrophobicContact CD1-CB 4.06Å; L64-H100 HydrophobicContact CD2-CB 3.88Å; L64-H100 HydrophobicContact CG-CB 4.39Å; L96-H100 PolarHBondContact O-CD2 2.97Å; L96-H100 VanDerWaalsContact O-CD2 3.24Å; L96-H100 PolarHBondContact O-N 2.66Å; L96-H100 VanDerWaalsContact O-N 3.16Å; L97-H100 CarbonylContact O-C 3.34Å; L97-H100 WeakPolarHBondContact O-CA 3.2Å; L97-H100 PolarHBondContact O-N 2.87Å; L98-H100 PolarHBondContact O-N 2.88Å
101G97.4Very high94.6Very high45 Ų4556.4 Ų56.446%0.46438%0.38SS..THydrogen-bonded Turntrans84.820.4170.400000115.3N71 L97 L98N71-G101 PolarHBondContact ND2-O 2.82Å; L97-G101 PolarHBondContact O-N 3.34Å; L98-G101 PolarHBondContact O-N 3.38Å
102A97.3Very high95.4Very high8 Ų854.3 Ų54.37%0.06636%0.355CS..  trans-64.6139.1169.200000111.6P70 N71 L81 L97 L98P70-A102 HydrophobicContact CB-CB 3.83Å; P70-A102 HydrophobicContact CG-CB 4.16Å; N71-A102 VanDerWaalsContact OD1-CA 3.27Å; N71-A102 WeakPolarHBondContact OD1-CA 3.31Å; L81-A102 HydrophobicContact CB-CB 4.3Å; L81-A102 HydrophobicContact CD2-CB 4.33Å; L97-A102 VanDerWaalsContact C-CB 3.46Å; L97-A102 HydrophobicContact CB-CB 3.78Å; L97-A102 VanDerWaalsContact O-CB 3.25Å; L97-A102 WeakPolarHBondContact O-CB 3.31Å; L97-A102 PolarHBondContact O-N 2.88Å; L98-A102 WeakPolarHBondContact CD2-O 3.48Å
103D90.6Very high96Very high158 Ų15853.5 Ų53.585%0.84534%0.34SS*.  trans-123.50174.260.624.6000114.8N71N71-D103 PolarHBondContact OD1-N 3.13Å; N71-D103 VanDerWaalsContact OD1-N 3.1Å; N71-D103 PolarHBondContact OD1-OD1 3.43Å

Retrieved 103 of 103 residues in 47.1 ms (Link to these results)

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