A0A5K4F8C7_SCHMA Loading...

DNA_MISMATCH_REPAIR_2 domain-containing protein AlphaSync

Component of the post-replicative DNA mismatch repair system (MMR).

AlphaFold DB , UniProt , Accession A0A5K4F8C7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 962 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
1M34.5Very low52.9Low243 Ų24399.2 Ų99.2100%1.19752%0.522SS*.  0106.10-77.1176.3168.100107.3
2Q27.4Very low55.1Low184 Ų18496.9 Ų96.986%0.8650%0.502SS*.  trans-60.5128.1170.7-75177.2-23.400107.9
3P38.6Very low57.1Low84 Ų8495.3 Ų95.355%0.54550%0.504SS..  trans-69.8146.5177.530.2-31.6000109.2F5P3-F5 VanDerWaalsContact C-N 3.31Å; P3-F5 VanDerWaalsContact CD-CE2 3.5Å; P3-F5 HydrophobicContact CG-CD2 4.13Å; P3-F5 HydrophobicContact CG-CE1 4.06Å; P3-F5 HydrophobicContact CG-CE2 3.42Å; P3-F5 VanDerWaalsContact CG-CE2 3.42Å; P3-F5 HydrophobicContact CG-CZ 3.38Å; P3-F5 WeakPolarHBondContact O-CD2 3.35Å; P3-F5 WeakPolarHBondContact O-CG 3.31Å; P3-F5 PolarHBondContact O-N 3.25Å
4N40.9Very low59.1Low119 Ų11991.1 Ų91.164%0.63648%0.48SS*.  trans-63.374.6-172.9-74-36.3000114.2S6 M7N4-S6 VanDerWaalsContact C-N 3.33Å; N4-S6 PolarHBondContact O-N 3.09Å; N4-M7 HydrophobicContact CB-CE 3.44Å; N4-M7 VanDerWaalsContact CB-CE 3.44Å; N4-M7 VanDerWaalsContact ND2-CE 3.32Å; N4-M7 WeakPolarHBondContact ND2-CE 3.4Å
5F44.3Very low60.9Low137 Ų13788.7 Ų88.760%0.60146%0.462SS*.THydrogen-bonded Turntrans-70.6-11-174.1-69.7-71.1000116.5P3 R61P3-F5 VanDerWaalsContact C-N 3.31Å; P3-F5 VanDerWaalsContact CD-CE2 3.5Å; P3-F5 HydrophobicContact CG-CD2 4.13Å; P3-F5 HydrophobicContact CG-CE1 4.06Å; P3-F5 HydrophobicContact CG-CE2 3.42Å; P3-F5 VanDerWaalsContact CG-CE2 3.42Å; P3-F5 HydrophobicContact CG-CZ 3.38Å; P3-F5 WeakPolarHBondContact O-CD2 3.35Å; P3-F5 WeakPolarHBondContact O-CG 3.31Å; P3-F5 PolarHBondContact O-N 3.25Å; F5-R61 PolarHBondContact O-NH1 3.34Å; F5-R61 VanDerWaalsContact O-NH1 3.11Å
6S55.5Low62.4Low95 Ų9592.2 Ų92.266%0.66447%0.472SS*.THydrogen-bonded Turntrans-91.6-23.6-177.168.80000114.6N4N4-S6 VanDerWaalsContact C-N 3.33Å; N4-S6 PolarHBondContact O-N 3.09Å
7M55.7Low63.8Low47 Ų4791.8 Ų91.823%0.23248%0.48CS..Hα-helixtrans-75.5-37.3-170.2-81.5-172.4-84.400113N4 D9 F11 R101 N103N4-M7 HydrophobicContact CB-CE 3.44Å; N4-M7 VanDerWaalsContact CB-CE 3.44Å; N4-M7 VanDerWaalsContact ND2-CE 3.32Å; N4-M7 WeakPolarHBondContact ND2-CE 3.4Å; M7-D9 PolarHBondContact O-N 3.33Å; M7-F11 PolarHBondContact O-N 3.31Å; M7-R101 HydrophobicContact SD-CB 4.22Å; M7-R101 HydrophobicContact SD-CG 4Å; M7-N103 PolarHBondContact O-ND2 2.78Å; M7-N103 VanDerWaalsContact O-ND2 3.11Å; M7-N103 PolarHBondContact O-OD1 2.89Å; M7-N103 VanDerWaalsContact O-OD1 3.07Å
8E62.4Low65.1Low89 Ų8988.8 Ų88.842%0.41646%0.464SS..Hα-helixtrans-72.4-28.6-174.5-68.6171.714600113.5Y12 F59E8-Y12 PolarHBondContact O-N 2.97Å; E8-Y12 VanDerWaalsContact O-N 3.12Å; E8-F59 HydrophobicContact CB-CE1 3.97Å; E8-F59 HydrophobicContact CB-CZ 3.86Å; E8-F59 HydrophobicContact CG-CE2 4.44Å; E8-F59 HydrophobicContact CG-CZ 4.17Å; E8-F59 WeakPolarHBondContact OE1-CE2 3.48Å; E8-F59 WeakPolarHBondContact OE2-CE2 3.34Å; E8-F59 WeakPolarHBondContact OE2-CZ 3.31Å
9D65.2Low66.2Low61 Ų6186 Ų8633%0.32646%0.459SS..Hα-helixtrans-68.4-40177.2-82.4-1.2000112.8M7 Y12 S13 R61M7-D9 PolarHBondContact O-N 3.33Å; D9-Y12 PolarHBondContact O-N 2.94Å; D9-S13 WeakPolarHBondContact O-CB 3.47Å; D9-S13 PolarHBondContact O-N 3.34Å; D9-S13 PolarHBondContact O-OG 3.11Å; D9-R61 WeakPolarHBondContact OD1-CD 3.41Å; D9-R61 IonicContact OD1-CZ 2.82Å; D9-R61 IonicContact OD1-NE 3.16Å; D9-R61 PolarHBondContact OD1-NE 3.13Å; D9-R61 IonicContact OD1-NH1 2.81Å; D9-R61 PolarHBondContact OD1-NH1 2.7Å; D9-R61 IonicContact OD1-NH2 2.81Å; D9-R61 IonicContact OD2-CZ 3.15Å; D9-R61 IonicContact OD2-NE 3.92Å; D9-R61 IonicContact OD2-NH1 3.81Å; D9-R61 PolarHBondContact OD2-NH1 3.46Å; D9-R61 IonicContact OD2-NH2 3.9Å; D9-R61 PolarHBondContact OD2-NH2 3.25Å
10G75Confident67.1Low21 Ų2188.4 Ų88.422%0.21648%0.479CS..Hα-helixtrans-70.4-37.2179.300000111.6S13 F14 N103G10-S13 PolarHBondContact O-N 3.39Å; G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 2.97Å; G10-N103 WeakPolarHBondContact CA-ND2 3.44Å
11F82.1Confident68Low11 Ų1186.5 Ų86.55%0.04847%0.467CS..Hα-helixtrans-61.6-46.5172.2179.7-99.1000112.4M7 S13 F14 W15 F29 R31 H38 L66 N103 W105M7-F11 PolarHBondContact O-N 3.31Å; F11-S13 VanDerWaalsContact C-N 3.3Å; F11-S13 PolarHBondContact O-N 3.03Å; F11-F14 PolarHBondContact O-N 3.35Å; F11-W15 HydrophobicContact CE1-CB 4.35Å; F11-W15 HydrophobicContact CZ-CB 4.49Å; F11-W15 WeakPolarHBondContact O-CB 3.31Å; F11-W15 PolarHBondContact O-N 2.69Å; F11-F29 HydrophobicContact CE2-CB 4.35Å; F11-F29 AromaticContact CE2-CD1 3.5Å; F11-F29 HydrophobicContact CE2-CD1 3.5Å; F11-F29 VanDerWaalsContact CE2-CD1 3.5Å; F11-F29 AromaticContact CE2-CE1 3.85Å; F11-F29 HydrophobicContact CE2-CE1 3.85Å; F11-F29 AromaticContact CE2-CG 3.89Å; F11-F29 HydrophobicContact CE2-CG 3.89Å; F11-F29 HydrophobicContact CZ-CB 4.46Å; F11-F29 AromaticContact CZ-CD1 3.84Å; F11-F29 HydrophobicContact CZ-CD1 3.84Å; F11-F29 HydrophobicContact CZ-CD2 4.13Å; F11-F29 HydrophobicContact CZ-CE1 4.04Å; F11-F29 HydrophobicContact CZ-CE2 4.34Å; F11-F29 AromaticContact CZ-CG 3.87Å; F11-F29 HydrophobicContact CZ-CG 3.87Å; F11-F29 HydrophobicContact CZ-CZ 4.3Å; F11-R31 VanDerWaalsContact CD2-NH2 3.3Å; F11-R31 VanDerWaalsContact CG-NH2 3.34Å; F11-H38 AromaticContact CE1-CD2 3.87Å; F11-H38 AromaticContact CE1-CE1 3.44Å; F11-H38 VanDerWaalsContact CE1-CE1 3.44Å; F11-H38 WeakPolarHBondContact CE1-CE1 3.47Å; F11-H38 AromaticContact CE1-ND1 3.9Å; F11-H38 AromaticContact CE1-NE2 3.41Å; F11-H38 WeakPolarHBondContact CE1-NE2 3.44Å; F11-H38 AromaticContact CZ-CD2 3.61Å; F11-H38 AromaticContact CZ-CE1 3.76Å; F11-H38 AromaticContact CZ-NE2 3.2Å; F11-H38 WeakPolarHBondContact CZ-NE2 3.38Å; F11-L66 HydrophobicContact CE1-CD2 4.22Å; F11-N103 PolarHBondContact N-OD1 3.44Å; F11-W105 HydrophobicContact CD2-CD2 4.43Å; F11-W105 AromaticContact CD2-CE2 3.57Å; F11-W105 HydrophobicContact CD2-CH2 4.5Å; F11-W105 AromaticContact CD2-CZ2 3.62Å; F11-W105 HydrophobicContact CD2-CZ2 3.62Å; F11-W105 AromaticContact CD2-NE1 3.55Å; F11-W105 HydrophobicContact CE2-CD2 4.4Å; F11-W105 AromaticContact CE2-CE2 3.9Å; F11-W105 HydrophobicContact CE2-CH2 4.34Å; F11-W105 AromaticContact CE2-CZ2 3.87Å; F11-W105 HydrophobicContact CE2-CZ2 3.87Å
12Y79.9Confident70.4Confident72 Ų7277.8 Ų77.828%0.28243%0.428SS..Hα-helixtrans-61.4-41.2179-178.8-100.4000111.8E8 D9 W15 K16 L66E8-Y12 PolarHBondContact O-N 2.97Å; E8-Y12 VanDerWaalsContact O-N 3.12Å; D9-Y12 PolarHBondContact O-N 2.94Å; Y12-W15 HydrophobicContact CE2-CE3 4.43Å; Y12-W15 HydrophobicContact CE2-CZ3 4.41Å; Y12-W15 PolarHBondContact O-N 2.99Å; Y12-K16 WeakPolarHBondContact O-CB 3.29Å; Y12-K16 PolarHBondContact O-N 3.24Å; Y12-L66 HydrophobicContact CD2-CB 4.38Å; Y12-L66 HydrophobicContact CD2-CD2 4.28Å; Y12-L66 HydrophobicContact CE2-CB 4.45Å
13S80.3Confident73.2Confident76 Ų7674.4 Ų74.453%0.53142%0.422SS..Hα-helixtrans-63.5-43.8175.6-57.40000111.8D9 G10 F11 K16 S17D9-S13 WeakPolarHBondContact O-CB 3.47Å; D9-S13 PolarHBondContact O-N 3.34Å; D9-S13 PolarHBondContact O-OG 3.11Å; G10-S13 PolarHBondContact O-N 3.39Å; F11-S13 VanDerWaalsContact C-N 3.3Å; F11-S13 PolarHBondContact O-N 3.03Å; S13-K16 PolarHBondContact O-N 3.27Å; S13-S17 WeakPolarHBondContact O-CB 3.46Å; S13-S17 PolarHBondContact O-N 3.2Å
14F85.5Confident75.5Confident37 Ų3772.2 Ų72.216%0.16241%0.408CS..Hα-helixtrans-61.6-51.1174.3176.9-94.1000112G10 F11 K16 S17 L18 F29 Y93 W105G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 2.97Å; F11-F14 PolarHBondContact O-N 3.35Å; F14-K16 VanDerWaalsContact C-N 3.26Å; F14-K16 PolarHBondContact O-N 3.15Å; F14-S17 WeakPolarHBondContact O-CA 2.97Å; F14-S17 WeakPolarHBondContact O-CB 3.37Å; F14-S17 PolarHBondContact O-N 3.12Å; F14-S17 PolarHBondContact O-OG 3.41Å; F14-L18 HydrophobicContact CD1-CD1 4.47Å; F14-L18 HydrophobicContact CE1-CD1 3.83Å; F14-L18 HydrophobicContact CE1-CD2 3.99Å; F14-L18 HydrophobicContact CE1-CG 3.97Å; F14-L18 HydrophobicContact CE2-CD2 4.45Å; F14-L18 HydrophobicContact CZ-CD1 4.42Å; F14-L18 HydrophobicContact CZ-CD2 3.72Å; F14-L18 HydrophobicContact CZ-CG 4.19Å; F14-L18 PolarHBondContact O-N 2.99Å; F14-F29 HydrophobicContact CD1-CE1 4.29Å; F14-F29 HydrophobicContact CE1-CE1 4.01Å; F14-Y93 HydrophobicContact CE1-CD1 4.19Å; F14-Y93 HydrophobicContact CE1-CE1 4.5Å; F14-Y93 HydrophobicContact CZ-CD1 4.09Å; F14-Y93 HydrophobicContact CZ-CE1 4.23Å; F14-W105 HydrophobicContact CD1-CB 3.67Å; F14-W105 AromaticContact CD1-CD1 3.79Å; F14-W105 AromaticContact CD1-CG 3.82Å; F14-W105 HydrophobicContact CD1-CG 3.82Å; F14-W105 HydrophobicContact CD2-CB 4.1Å; F14-W105 HydrophobicContact CE1-CB 3.29Å; F14-W105 AromaticContact CE1-CG 3.9Å; F14-W105 HydrophobicContact CE1-CG 3.9Å; F14-W105 HydrophobicContact CE2-CB 3.74Å; F14-W105 VanDerWaalsContact CE2-O 3.3Å; F14-W105 WeakPolarHBondContact CE2-O 3.4Å; F14-W105 HydrophobicContact CG-CB 4.07Å; F14-W105 AromaticContact CG-CD1 3.86Å; F14-W105 HydrophobicContact CG-CG 4.23Å; F14-W105 HydrophobicContact CZ-CB 3.33Å; F14-W105 HydrophobicContact CZ-CG 4.35Å; F14-W105 VanDerWaalsContact CZ-O 3.32Å; F14-W105 WeakPolarHBondContact CZ-O 3.45Å
15W85.9Confident77.9Confident54 Ų5466.9 Ų66.921%0.20538%0.379CS..Hα-helixtrans-56.1-41.7179.5175.983.8000111.9F11 Y12 S17 L18 F29 D39 L66F11-W15 HydrophobicContact CE1-CB 4.35Å; F11-W15 HydrophobicContact CZ-CB 4.49Å; F11-W15 WeakPolarHBondContact O-CB 3.31Å; F11-W15 PolarHBondContact O-N 2.69Å; Y12-W15 HydrophobicContact CE2-CE3 4.43Å; Y12-W15 HydrophobicContact CE2-CZ3 4.41Å; Y12-W15 PolarHBondContact O-N 2.99Å; W15-S17 VanDerWaalsContact C-N 3.33Å; W15-S17 PolarHBondContact O-N 3.41Å; W15-L18 PolarHBondContact O-N 2.73Å; W15-F29 AromaticContact CD1-CE2 3.97Å; W15-F29 AromaticContact CD1-CZ 3.77Å; W15-D39 HydrophobicContact CH2-CB 4.05Å; W15-D39 HydrophobicContact CZ2-CB 3.78Å; W15-L66 HydrophobicContact CD2-CD1 4.22Å; W15-L66 HydrophobicContact CE3-CD1 4.02Å; W15-L66 HydrophobicContact CH2-CD1 3.7Å; W15-L66 HydrophobicContact CZ2-CD1 3.92Å; W15-L66 HydrophobicContact CZ3-CD1 3.76Å
16K85Confident80.2Confident145 Ų14560.3 Ų60.363%0.6335%0.35SS*.Hα-helixtrans-67.8-33176.2-167.8174.9-178.7-178.20112.5Y12 S13 F14 L18 G19Y12-K16 WeakPolarHBondContact O-CB 3.29Å; Y12-K16 PolarHBondContact O-N 3.24Å; S13-K16 PolarHBondContact O-N 3.27Å; F14-K16 VanDerWaalsContact C-N 3.26Å; F14-K16 PolarHBondContact O-N 3.15Å; K16-L18 VanDerWaalsContact C-N 3.27Å; K16-L18 PolarHBondContact O-N 3.05Å; K16-G19 PolarHBondContact O-N 3.46Å
17S86.9Confident82Confident86 Ų8657 Ų5760%0.60132%0.323SS*.Hα-helixtrans-67.3-23.917980.40000113.7S13 F14 W15 G19S13-S17 WeakPolarHBondContact O-CB 3.46Å; S13-S17 PolarHBondContact O-N 3.2Å; F14-S17 WeakPolarHBondContact O-CA 2.97Å; F14-S17 WeakPolarHBondContact O-CB 3.37Å; F14-S17 PolarHBondContact O-N 3.12Å; F14-S17 PolarHBondContact O-OG 3.41Å; W15-S17 VanDerWaalsContact C-N 3.33Å; W15-S17 PolarHBondContact O-N 3.41Å; S17-G19 PolarHBondContact O-N 3.11Å; S17-G19 VanDerWaalsContact O-N 3.13Å
18L86.7Confident83.7Confident37 Ų3754.7 Ų54.719%0.19431%0.312CS..THydrogen-bonded Turntrans-65.9-11.2176.8-65.6177.3000114.1F14 W15 K16 R27 F29 Y93F14-L18 HydrophobicContact CD1-CD1 4.47Å; F14-L18 HydrophobicContact CE1-CD1 3.83Å; F14-L18 HydrophobicContact CE1-CD2 3.99Å; F14-L18 HydrophobicContact CE1-CG 3.97Å; F14-L18 HydrophobicContact CE2-CD2 4.45Å; F14-L18 HydrophobicContact CZ-CD1 4.42Å; F14-L18 HydrophobicContact CZ-CD2 3.72Å; F14-L18 HydrophobicContact CZ-CG 4.19Å; F14-L18 PolarHBondContact O-N 2.99Å; W15-L18 PolarHBondContact O-N 2.73Å; K16-L18 VanDerWaalsContact C-N 3.27Å; K16-L18 PolarHBondContact O-N 3.05Å; L18-R27 PolarHBondContact O-NH1 2.86Å; L18-R27 PolarHBondContact O-NH2 3.03Å; L18-F29 HydrophobicContact CD1-CE1 4.26Å; L18-F29 HydrophobicContact CD1-CZ 3.91Å; L18-Y93 HydrophobicContact CD1-CE1 4.29Å; L18-Y93 HydrophobicContact CD1-CE2 4.25Å; L18-Y93 HydrophobicContact CD2-CE1 3.84Å
19G85.2Confident85.1Confident36 Ų3650.5 Ų50.537%0.37129%0.292SS..  trans66.1-174.8176.300000114.6K16 S17 R27K16-G19 PolarHBondContact O-N 3.46Å; S17-G19 PolarHBondContact O-N 3.11Å; S17-G19 VanDerWaalsContact O-N 3.13Å; G19-R27 PolarHBondContact O-NH1 3.29Å
20P84.5Confident86.2Confident134 Ų13449.1 Ų49.187%0.8728%0.284SS*.  trans-62.8146.3176.528.5-34.1000110.5
21K87.4Confident86.6Confident48 Ų4853.3 Ų53.321%0.20929%0.293CS..  trans-121.2156.9175.165.1-179.1177.970.70110T25 R27 D41K21-T25 WeakPolarHBondContact CD-O 3.47Å; K21-T25 WeakPolarHBondContact CE-O 3.34Å; K21-T25 PolarHBondContact NZ-O 3.04Å; K21-R27 HydrophobicContact CD-CG 3.9Å; K21-D41 WeakPolarHBondContact CE-OD1 3.35Å; K21-D41 WeakPolarHBondContact CE-OD2 3.46Å; K21-D41 IonicContact NZ-OD1 3.88Å; K21-D41 PolarHBondContact NZ-OD1 3.45Å; K21-D41 IonicContact NZ-OD2 2.69Å
22P84.6Confident86.6Confident61 Ų6155.3 Ų55.340%0.39632%0.317SS..  trans-55.1142.7168.1-22.733.3000110.7T24 T25P22-T24 PolarHBondContact O-N 2.94Å; P22-T24 VanDerWaalsContact O-N 3.13Å; P22-T25 PolarHBondContact O-N 3.29Å
23P84.9Confident86.7Confident112 Ų11259.5 Ų59.573%0.72734%0.34SS*.THydrogen-bonded Turntrans-60.5-24177.524.6-33.4000112.3T25 Y88P23-T25 VanDerWaalsContact C-N 3.28Å; P23-T25 PolarHBondContact O-N 3.14Å; P23-Y88 VanDerWaalsContact O-CE1 3.23Å; P23-Y88 WeakPolarHBondContact O-CE1 3.44Å
24T87.5Confident87.1Confident39 Ų3959.1 Ų59.124%0.23933%0.33CS..THydrogen-bonded Turntrans-84.31317762.40000114P22 Y88 R89 L225P22-T24 PolarHBondContact O-N 2.94Å; P22-T24 VanDerWaalsContact O-N 3.13Å; T24-Y88 VanDerWaalsContact C-CD1 3.49Å; T24-Y88 CarbonylContact O-C 3.55Å; T24-Y88 WeakPolarHBondContact O-CA 3.38Å; T24-R89 PolarHBondContact O-N 3.35Å; T24-R89 PolarHBondContact OG1-NH2 2.91Å; T24-L225 HydrophobicContact CG2-CD1 3.87Å
25T91Very high87.2Confident6 Ų657.7 Ų57.74%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-120.7128.7-178-58.70000110.2K21 P22 P23 R89 E91K21-T25 WeakPolarHBondContact CD-O 3.47Å; K21-T25 WeakPolarHBondContact CE-O 3.34Å; K21-T25 PolarHBondContact NZ-O 3.04Å; P22-T25 PolarHBondContact O-N 3.29Å; P23-T25 VanDerWaalsContact C-N 3.28Å; P23-T25 PolarHBondContact O-N 3.14Å; T25-R89 CarbonylContact C-O 3.53Å; T25-R89 WeakPolarHBondContact CA-O 3.35Å; T25-R89 HydrophobicContact CG2-CB 4.2Å; T25-E91 HydrophobicContact CG2-CG 3.88Å
26L92.5Very high87.5Confident0 Ų055.6 Ų55.60%032%0.317CS..EExtended strand (participates in β ladder)trans-105.4124179.3-166.678.4000110.2L37 D41 L44 V45 F78 F82 R89 I90 E91L26-L37 HydrophobicContact CD1-CD2 3.67Å; L26-L37 HydrophobicContact CD2-CD2 3.6Å; L26-L37 HydrophobicContact CG-CD2 3.54Å; L26-D41 HydrophobicContact CD1-CB 3.68Å; L26-L44 HydrophobicContact CD1-CD2 4.27Å; L26-V45 HydrophobicContact CD1-CG2 4.06Å; L26-V45 HydrophobicContact CD2-CG2 4.29Å; L26-F78 HydrophobicContact CD2-CE2 4.4Å; L26-F82 HydrophobicContact CD2-CD2 4.13Å; L26-F82 HydrophobicContact CD2-CG 4.21Å; L26-R89 PolarHBondContact N-O 2.84Å; L26-I90 HydrophobicContact CB-CG1 4.43Å; L26-I90 WeakPolarHBondContact O-CA 3.47Å; L26-E91 PolarHBondContact O-N 2.97Å
27R93.7Very high87.9Confident24 Ų2448.7 Ų48.79%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-101.6118.7177.9-68.6-177.7174.4158.4-5.4111L18 G19 K21 F29 D41 E91 Y93L18-R27 PolarHBondContact O-NH1 2.86Å; L18-R27 PolarHBondContact O-NH2 3.03Å; G19-R27 PolarHBondContact O-NH1 3.29Å; K21-R27 HydrophobicContact CD-CG 3.9Å; R27-F29 HydrophobicContact CB-CE2 4.12Å; R27-D41 PolarHBondContact N-OD2 2.7Å; R27-E91 HydrophobicContact CG-CB 4.31Å; R27-E91 WeakPolarHBondContact CG-OE2 3.38Å; R27-E91 IonicContact CZ-OE2 2.7Å; R27-E91 IonicContact NE-OE2 3.89Å; R27-E91 PolarHBondContact NE-OE2 3.41Å; R27-Y93 HydrophobicContact CB-CE2 4.5Å; R27-Y93 HydrophobicContact CG-CE2 4.24Å
28C91.8Very high88.1Confident0 Ų045.1 Ų45.10%026%0.261CS..EExtended strand (participates in β ladder)trans-110.9142.7179-59.40000110.8M35 E91 I92 Y93C28-M35 HydrophobicContact CB-SD 4.41Å; C28-E91 PolarHBondContact N-O 3.45Å; C28-I92 HydrophobicContact CB-CG1 4.18Å; C28-I92 HydrophobicContact CB-CG2 4.4Å; C28-I92 CarbonylContact O-C 3.06Å; C28-I92 WeakPolarHBondContact O-CA 3.25Å; C28-Y93 PolarHBondContact O-N 2.93Å
29F91.2Very high88.2Confident1 Ų146.5 Ų46.50%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-121.7116.4-179.4-62.9-95.5000110.4F11 F14 W15 L18 R27 M35 T36 H38 Y93 W105F11-F29 HydrophobicContact CE2-CB 4.35Å; F11-F29 AromaticContact CE2-CD1 3.5Å; F11-F29 HydrophobicContact CE2-CD1 3.5Å; F11-F29 VanDerWaalsContact CE2-CD1 3.5Å; F11-F29 AromaticContact CE2-CE1 3.85Å; F11-F29 HydrophobicContact CE2-CE1 3.85Å; F11-F29 AromaticContact CE2-CG 3.89Å; F11-F29 HydrophobicContact CE2-CG 3.89Å; F11-F29 HydrophobicContact CZ-CB 4.46Å; F11-F29 AromaticContact CZ-CD1 3.84Å; F11-F29 HydrophobicContact CZ-CD1 3.84Å; F11-F29 HydrophobicContact CZ-CD2 4.13Å; F11-F29 HydrophobicContact CZ-CE1 4.04Å; F11-F29 HydrophobicContact CZ-CE2 4.34Å; F11-F29 AromaticContact CZ-CG 3.87Å; F11-F29 HydrophobicContact CZ-CG 3.87Å; F11-F29 HydrophobicContact CZ-CZ 4.3Å; F14-F29 HydrophobicContact CD1-CE1 4.29Å; F14-F29 HydrophobicContact CE1-CE1 4.01Å; W15-F29 AromaticContact CD1-CE2 3.97Å; W15-F29 AromaticContact CD1-CZ 3.77Å; L18-F29 HydrophobicContact CD1-CE1 4.26Å; L18-F29 HydrophobicContact CD1-CZ 3.91Å; R27-F29 HydrophobicContact CB-CE2 4.12Å; F29-M35 CarbonylContact O-C 3.48Å; F29-M35 VanDerWaalsContact O-CA 3.28Å; F29-M35 WeakPolarHBondContact O-CA 3.11Å; F29-T36 PolarHBondContact N-O 2.79Å; F29-T36 PolarHBondContact O-N 3.41Å; F29-H38 AromaticContact CD2-CD2 3.43Å; F29-H38 VanDerWaalsContact CD2-CD2 3.43Å; F29-H38 WeakPolarHBondContact CD2-CD2 3.49Å; F29-H38 AromaticContact CD2-NE2 3.86Å; F29-H38 AromaticContact CE2-CD2 3.7Å; F29-Y93 HydrophobicContact CD1-CG 4.31Å; F29-Y93 HydrophobicContact CE1-CD2 4.16Å; F29-Y93 HydrophobicContact CE1-CG 4.07Å; F29-Y93 HydrophobicContact CZ-CD2 4.34Å; F29-W105 HydrophobicContact CB-CH2 4.31Å; F29-W105 HydrophobicContact CB-CZ3 3.94Å; F29-W105 HydrophobicContact CD1-CD2 4.33Å; F29-W105 AromaticContact CD1-CE3 3.91Å; F29-W105 HydrophobicContact CD1-CE3 3.91Å; F29-W105 HydrophobicContact CD1-CZ3 4.13Å
30E88.5Confident88.5Confident32 Ų3248 Ų4815%0.1527%0.273CS..EExtended strand (participates in β ladder)trans-76123.2-178.9-170.7177.817800111.1K73 I92 Y93 C94 W105 K108E30-K73 VanDerWaalsContact OE1-CE 3.26Å; E30-K73 WeakPolarHBondContact OE1-CE 3.37Å; E30-K73 IonicContact OE1-NZ 2.83Å; E30-K73 PolarHBondContact OE1-NZ 2.89Å; E30-I92 HydrophobicContact CB-CG2 4.46Å; E30-Y93 PolarHBondContact N-O 3.18Å; E30-C94 HydrophobicContact CB-CB 4.43Å; E30-W105 WeakPolarHBondContact O-CZ3 3.38Å; E30-K108 IonicContact OE1-NZ 2.85Å; E30-K108 PolarHBondContact OE1-NZ 3.46Å; E30-K108 WeakPolarHBondContact OE2-CD 3.09Å; E30-K108 IonicContact OE2-NZ 3.02Å; E30-K108 PolarHBondContact OE2-NZ 2.86Å
31R84.5Confident88.9Confident108 Ų10841.9 Ų41.941%0.40823%0.233SC..EExtended strand (participates in β ladder)trans-128.873.3178.7-64.3-171-174.5-116.3-1.3109.6F11 E33 M34 T36 W105F11-R31 VanDerWaalsContact CD2-NH2 3.3Å; F11-R31 VanDerWaalsContact CG-NH2 3.34Å; R31-E33 PolarHBondContact O-N 3.43Å; R31-M34 CarbonylContact C-O 3.57Å; R31-M34 WeakPolarHBondContact CA-O 3.28Å; R31-M34 PolarHBondContact N-O 2.83Å; R31-M34 PolarHBondContact O-N 3.34Å; R31-T36 PolarHBondContact NE-OG1 3.18Å; R31-T36 VanDerWaalsContact NE-OG1 3.11Å; R31-W105 HydrophobicContact CG-CH2 4.06Å
32G81.2Confident89.1Confident54 Ų5439.6 Ų39.656%0.55722%0.223SC*.THydrogen-bonded Turntrans68-113.6-178.100000112.1M34G32-M34 VanDerWaalsContact C-N 3.31Å
33E82Confident89.5Confident160 Ų16040 Ų4075%0.74822%0.221SC*.THydrogen-bonded Turntrans-83.9-4.3178.7-62.1-169.1164.200113.9R31 K73R31-E33 PolarHBondContact O-N 3.43Å; E33-K73 WeakPolarHBondContact O-CB 3.25Å; E33-K73 PolarHBondContact O-N 2.9Å
34M87.8Confident89.8Confident68 Ų6836.3 Ų36.334%0.33520%0.195SC..EExtended strand (participates in β ladder)trans-121.7155.5-177.2-54.2-61.5-74.500111R31 G32 T70 V71 K72R31-M34 CarbonylContact C-O 3.57Å; R31-M34 WeakPolarHBondContact CA-O 3.28Å; R31-M34 PolarHBondContact N-O 2.83Å; R31-M34 PolarHBondContact O-N 3.34Å; G32-M34 VanDerWaalsContact C-N 3.31Å; M34-T70 HydrophobicContact CB-CG2 3.76Å; M34-T70 HydrophobicContact CE-CG2 3.4Å; M34-T70 VanDerWaalsContact CE-CG2 3.4Å; M34-T70 HydrophobicContact CG-CG2 4.17Å; M34-V71 CarbonylContact C-O 3.54Å; M34-V71 WeakPolarHBondContact CA-O 3.14Å; M34-K72 HydrophobicContact CE-CG 3.76Å; M34-K72 HydrophobicContact SD-CB 4.3Å; M34-K72 HydrophobicContact SD-CG 3.75Å
35M89.1Confident90Very high7 Ų734.4 Ų34.43%0.03418%0.184CC..EExtended strand (participates in β ladder)trans-114.4140.9166.8-68.1-171.8-8200109.4C28 F29 T70 V71 F78 I92C28-M35 HydrophobicContact CB-SD 4.41Å; F29-M35 CarbonylContact O-C 3.48Å; F29-M35 VanDerWaalsContact O-CA 3.28Å; F29-M35 WeakPolarHBondContact O-CA 3.11Å; M35-T70 CarbonylContact O-C 3.57Å; M35-T70 WeakPolarHBondContact O-CA 3.29Å; M35-V71 PolarHBondContact N-O 3.11Å; M35-V71 PolarHBondContact O-N 3.45Å; M35-F78 HydrophobicContact CE-CE1 3.38Å; M35-F78 HydrophobicContact CE-CZ 3.47Å; M35-F78 VanDerWaalsContact CE-CZ 3.47Å; M35-F78 HydrophobicContact SD-CZ 4.29Å; M35-I92 HydrophobicContact SD-CD1 4.2Å; M35-I92 HydrophobicContact SD-CG2 4.44Å
36T91.4Very high90.1Very high10 Ų1034.1 Ų34.16%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-113.1137.5173.757.40000110.7F29 R31 H38 V69 T70F29-T36 PolarHBondContact N-O 2.79Å; F29-T36 PolarHBondContact O-N 3.41Å; R31-T36 PolarHBondContact NE-OG1 3.18Å; R31-T36 VanDerWaalsContact NE-OG1 3.11Å; T36-H38 PolarHBondContact OG1-NE2 3.2Å; T36-V69 WeakPolarHBondContact CA-O 3.4Å; T36-T70 HydrophobicContact CG2-CG2 4.27Å
37L92.7Very high90Very high0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-116.2151.7170.3-61.798.2000108.8L26 D41 V45 Y68 V69 V71L26-L37 HydrophobicContact CD1-CD2 3.67Å; L26-L37 HydrophobicContact CD2-CD2 3.6Å; L26-L37 HydrophobicContact CG-CD2 3.54Å; L37-D41 HydrophobicContact CB-CB 4.2Å; L37-D41 HydrophobicContact CD2-CB 4.19Å; L37-V45 HydrophobicContact CD2-CG2 3.67Å; L37-Y68 CarbonylContact O-C 3.58Å; L37-Y68 WeakPolarHBondContact O-CA 3.28Å; L37-Y68 VanDerWaalsContact O-CB 3.28Å; L37-Y68 WeakPolarHBondContact O-CB 3.45Å; L37-V69 PolarHBondContact N-O 2.98Å; L37-V69 PolarHBondContact O-N 3.04Å; L37-V71 HydrophobicContact CD1-CG2 3.72Å
38H91.5Very high89.8Confident10 Ų1037.8 Ų37.85%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-130.6146.3-168.1-60.4-80.9000112.9F11 F29 T36 S40 D41 L66 S67F11-H38 AromaticContact CE1-CD2 3.87Å; F11-H38 AromaticContact CE1-CE1 3.44Å; F11-H38 VanDerWaalsContact CE1-CE1 3.44Å; F11-H38 WeakPolarHBondContact CE1-CE1 3.47Å; F11-H38 AromaticContact CE1-ND1 3.9Å; F11-H38 AromaticContact CE1-NE2 3.41Å; F11-H38 WeakPolarHBondContact CE1-NE2 3.44Å; F11-H38 AromaticContact CZ-CD2 3.61Å; F11-H38 AromaticContact CZ-CE1 3.76Å; F11-H38 AromaticContact CZ-NE2 3.2Å; F11-H38 WeakPolarHBondContact CZ-NE2 3.38Å; F29-H38 AromaticContact CD2-CD2 3.43Å; F29-H38 VanDerWaalsContact CD2-CD2 3.43Å; F29-H38 WeakPolarHBondContact CD2-CD2 3.49Å; F29-H38 AromaticContact CD2-NE2 3.86Å; F29-H38 AromaticContact CE2-CD2 3.7Å; T36-H38 PolarHBondContact OG1-NE2 3.2Å; H38-S40 PolarHBondContact O-N 2.89Å; H38-D41 WeakPolarHBondContact O-CB 3.45Å; H38-D41 PolarHBondContact O-N 3.27Å; H38-L66 HydrophobicContact CB-CD1 4.24Å; H38-L66 HydrophobicContact CB-CD2 4.12Å; H38-L66 HydrophobicContact CB-CG 4.25Å; H38-L66 WeakPolarHBondContact ND1-CD2 3.3Å; H38-S67 CarbonylContact C-O 3.56Å; H38-S67 VanDerWaalsContact CA-O 3.31Å; H38-S67 WeakPolarHBondContact CA-O 3.19Å
39D90.3Very high89.6Confident67 Ų6740.3 Ų40.336%0.35822%0.216SC..THydrogen-bonded Turntrans52.7-118.3175.2-156.614.6000114.4W15 D41 A42 I43 L66 S67W15-D39 HydrophobicContact CH2-CB 4.05Å; W15-D39 HydrophobicContact CZ2-CB 3.78Å; D39-D41 PolarHBondContact O-N 3.5Å; D39-A42 WeakPolarHBondContact O-CB 3.33Å; D39-A42 PolarHBondContact O-N 2.72Å; D39-I43 WeakPolarHBondContact O-CG1 3.33Å; D39-I43 PolarHBondContact O-N 3.04Å; D39-L66 HydrophobicContact CB-CD1 4.06Å; D39-S67 PolarHBondContact N-O 3.08Å
40S91.1Very high89.6Confident67 Ų6743.9 Ų43.947%0.46923%0.23SC..Hα-helixtrans-58.3-35.3179.554.20000112.9H38 I43 L44H38-S40 PolarHBondContact O-N 2.89Å; S40-I43 PolarHBondContact O-N 3.06Å; S40-L44 VanDerWaalsContact O-CB 3.32Å; S40-L44 WeakPolarHBondContact O-CB 3.3Å; S40-L44 PolarHBondContact O-N 2.75Å
41D92.6Very high89.6Confident5 Ų551 Ų513%0.02726%0.26CS..Hα-helixtrans-69.2-37.7176.6-66.4-16.1000111.5K21 L26 R27 L37 H38 D39 L44 V45K21-D41 WeakPolarHBondContact CE-OD1 3.35Å; K21-D41 WeakPolarHBondContact CE-OD2 3.46Å; K21-D41 IonicContact NZ-OD1 3.88Å; K21-D41 PolarHBondContact NZ-OD1 3.45Å; K21-D41 IonicContact NZ-OD2 2.69Å; L26-D41 HydrophobicContact CD1-CB 3.68Å; R27-D41 PolarHBondContact N-OD2 2.7Å; L37-D41 HydrophobicContact CB-CB 4.2Å; L37-D41 HydrophobicContact CD2-CB 4.19Å; H38-D41 WeakPolarHBondContact O-CB 3.45Å; H38-D41 PolarHBondContact O-N 3.27Å; D39-D41 PolarHBondContact O-N 3.5Å; D41-L44 PolarHBondContact O-N 3.39Å; D41-V45 WeakPolarHBondContact O-CG2 3.1Å; D41-V45 PolarHBondContact O-N 3.41Å
42A92Very high90Very high0 Ų049.4 Ų49.40%026%0.26CS..Hα-helixtrans-65.2-42.6176.500000111.3D39 A46 V69D39-A42 WeakPolarHBondContact O-CB 3.33Å; D39-A42 PolarHBondContact O-N 2.72Å; A42-A46 VanDerWaalsContact O-CB 3.29Å; A42-A46 WeakPolarHBondContact O-CB 3.18Å; A42-A46 PolarHBondContact O-N 3.44Å; A42-V69 HydrophobicContact CB-CB 4.21Å; A42-V69 HydrophobicContact CB-CG2 4.01Å; A42-V69 WeakPolarHBondContact O-CG2 3.48Å
43I92.3Very high90.4Very high70 Ų7051.8 Ų51.836%0.35926%0.259SS..Hα-helixtrans-65-47.1177.1-64.8167.3000109.9D39 S40 V45 A46 T47 L53D39-I43 WeakPolarHBondContact O-CG1 3.33Å; D39-I43 PolarHBondContact O-N 3.04Å; S40-I43 PolarHBondContact O-N 3.06Å; I43-V45 PolarHBondContact O-N 3.08Å; I43-A46 PolarHBondContact O-N 3.16Å; I43-T47 HydrophobicContact CG2-CG2 4.27Å; I43-T47 WeakPolarHBondContact O-CG2 3.31Å; I43-T47 PolarHBondContact O-N 2.83Å; I43-T47 PolarHBondContact O-OG1 3Å; I43-L53 HydrophobicContact CG2-CD1 4.18Å
44L92Very high90.8Very high34 Ų3448.5 Ų48.518%0.17825%0.254CS..Hα-helixtrans-58.3-48179.2-179.566.5000112.1L26 S40 D41 A46 T47 D48 F82 Y88L26-L44 HydrophobicContact CD1-CD2 4.27Å; S40-L44 VanDerWaalsContact O-CB 3.32Å; S40-L44 WeakPolarHBondContact O-CB 3.3Å; S40-L44 PolarHBondContact O-N 2.75Å; D41-L44 PolarHBondContact O-N 3.39Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 3.01Å; L44-T47 PolarHBondContact O-N 3.06Å; L44-T47 PolarHBondContact O-OG1 2.9Å; L44-D48 HydrophobicContact CD1-CB 4.39Å; L44-D48 WeakPolarHBondContact O-CB 3.44Å; L44-D48 PolarHBondContact O-N 2.64Å; L44-F82 HydrophobicContact CD1-CE1 4.44Å; L44-F82 HydrophobicContact CD2-CD1 4.49Å; L44-F82 HydrophobicContact CD2-CE1 3.82Å; L44-F82 HydrophobicContact CG-CE1 3.79Å; L44-F82 HydrophobicContact CG-CZ 4.14Å; L44-Y88 HydrophobicContact CD2-CD1 4.15Å; L44-Y88 HydrophobicContact CD2-CE1 3.47Å; L44-Y88 VanDerWaalsContact CD2-CE1 3.47Å
45V91.9Very high90.9Very high0 Ų048.7 Ų48.70%026%0.256CS..Iπ-helixtrans-64.9-38.1177.5173.40000111.6L26 L37 D41 I43 Y49 Y50 V69 V71 F82L26-V45 HydrophobicContact CD1-CG2 4.06Å; L26-V45 HydrophobicContact CD2-CG2 4.29Å; L37-V45 HydrophobicContact CD2-CG2 3.67Å; D41-V45 WeakPolarHBondContact O-CG2 3.1Å; D41-V45 PolarHBondContact O-N 3.41Å; I43-V45 PolarHBondContact O-N 3.08Å; V45-Y49 HydrophobicContact CG1-CD1 4.5Å; V45-Y49 WeakPolarHBondContact O-CB 3.28Å; V45-Y49 PolarHBondContact O-N 2.77Å; V45-Y50 HydrophobicContact CG1-CD2 3.9Å; V45-Y50 HydrophobicContact CG1-CE2 3.81Å; V45-Y50 PolarHBondContact O-N 3.47Å; V45-Y50 VanDerWaalsContact O-N 3.13Å; V45-V69 HydrophobicContact CG1-CG1 4.3Å; V45-V71 HydrophobicContact CG1-CG2 4.47Å; V45-F82 HydrophobicContact CB-CE2 4.37Å; V45-F82 HydrophobicContact CB-CZ 4.49Å; V45-F82 HydrophobicContact CG2-CD2 4.47Å; V45-F82 HydrophobicContact CG2-CE2 3.65Å; V45-F82 HydrophobicContact CG2-CZ 3.9Å
46A92.1Very high90.9Very high0 Ų049.8 Ų49.80%026%0.263CS..Iπ-helixtrans-67.4-41.8178.700000112.7A42 I43 L44 Y50 K51 N52 L53 V56 V69A42-A46 VanDerWaalsContact O-CB 3.29Å; A42-A46 WeakPolarHBondContact O-CB 3.18Å; A42-A46 PolarHBondContact O-N 3.44Å; I43-A46 PolarHBondContact O-N 3.16Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 3.01Å; A46-Y50 CarbonylContact O-C 3.47Å; A46-K51 PolarHBondContact O-N 3.41Å; A46-N52 CarbonylContact O-C 3.58Å; A46-N52 PolarHBondContact O-N 3.39Å; A46-L53 HydrophobicContact CB-CD1 4.46Å; A46-V56 HydrophobicContact CB-CG2 3.4Å; A46-V69 HydrophobicContact CB-CG2 4.18Å
47T91.4Very high90.9Very high69 Ų6955.1 Ų55.142%0.42329%0.285SS..Iπ-helixtrans-79.8-42.8-177.653.90000112.9I43 L44 K51 L53I43-T47 HydrophobicContact CG2-CG2 4.27Å; I43-T47 WeakPolarHBondContact O-CG2 3.31Å; I43-T47 PolarHBondContact O-N 2.83Å; I43-T47 PolarHBondContact O-OG1 3Å; L44-T47 PolarHBondContact O-N 3.06Å; L44-T47 PolarHBondContact O-OG1 2.9Å; T47-K51 WeakPolarHBondContact O-CA 3.46Å; T47-L53 HydrophobicContact CG2-CD1 3.67Å
48D87.6Confident90.4Very high31 Ų3164.2 Ų64.217%0.16632%0.32CS..Iπ-helixtrans-88.3-45.5-169.8-162.961.8000112.3L44 H81 F82 R86L44-D48 HydrophobicContact CD1-CB 4.39Å; L44-D48 WeakPolarHBondContact O-CB 3.44Å; L44-D48 PolarHBondContact O-N 2.64Å; D48-H81 IonicContact OD2-CD2 3.28Å; D48-H81 IonicContact OD2-CE1 3.71Å; D48-H81 IonicContact OD2-NE2 2.74Å; D48-H81 PolarHBondContact OD2-NE2 3.49Å; D48-F82 HydrophobicContact CB-CZ 4.27Å; D48-R86 IonicContact OD1-CZ 3.78Å; D48-R86 VanDerWaalsContact OD1-CZ 3.3Å; D48-R86 IonicContact OD1-NE 2.78Å; D48-R86 PolarHBondContact OD1-NE 2.85Å; D48-R86 VanDerWaalsContact OD1-NE 3.17Å; D48-R86 IonicContact OD1-NH2 3.9Å; D48-R86 PolarHBondContact OD1-NH2 2.93Å; D48-R86 WeakPolarHBondContact OD2-CG 3.48Å; D48-R86 IonicContact OD2-CZ 3.87Å; D48-R86 IonicContact OD2-NE 2.67Å; D48-R86 PolarHBondContact OD2-NE 3.2Å; D48-R86 IonicContact OD2-NH2 3.57Å
49Y89.1Confident89.8Confident54 Ų5467.1 Ų67.121%0.21233%0.332CS..Iπ-helixtrans-89.2-57.4-176.7179-109.1000112V45 K51 N75 F78 H81V45-Y49 HydrophobicContact CG1-CD1 4.5Å; V45-Y49 WeakPolarHBondContact O-CB 3.28Å; V45-Y49 PolarHBondContact O-N 2.77Å; Y49-K51 VanDerWaalsContact C-N 3.32Å; Y49-K51 PolarHBondContact O-N 3.41Å; Y49-N75 PolarHBondContact OH-ND2 2.95Å; Y49-N75 PolarHBondContact OH-OD1 2.82Å; Y49-F78 HydrophobicContact CD1-CB 3.86Å; Y49-F78 HydrophobicContact CD2-CB 4.18Å; Y49-F78 HydrophobicContact CE1-CB 3.59Å; Y49-F78 HydrophobicContact CE2-CB 3.95Å; Y49-F78 HydrophobicContact CG-CB 4.13Å; Y49-F78 PolarHBondContact OH-N 2.9Å; Y49-H81 HydrophobicContact CD2-CB 3.95Å; Y49-H81 AromaticContact CD2-CG 3.96Å; Y49-H81 HydrophobicContact CE2-CB 4.27Å
50Y90.1Very high88.8Confident76 Ų7668.2 Ų68.230%0.29835%0.345SS..SBendtrans-79.1-15.8-179.4-71-69.7000113.8V45 A46 N52 L55 V69 V71V45-Y50 HydrophobicContact CG1-CD2 3.9Å; V45-Y50 HydrophobicContact CG1-CE2 3.81Å; V45-Y50 PolarHBondContact O-N 3.47Å; V45-Y50 VanDerWaalsContact O-N 3.13Å; A46-Y50 CarbonylContact O-C 3.47Å; Y50-N52 PolarHBondContact O-N 2.91Å; Y50-N52 VanDerWaalsContact O-N 3.1Å; Y50-L55 VanDerWaalsContact CB-CD1 3.46Å; Y50-L55 HydrophobicContact CD1-CD1 3.74Å; Y50-L55 HydrophobicContact CD2-CD1 3.75Å; Y50-L55 HydrophobicContact CE1-CD1 4.41Å; Y50-L55 HydrophobicContact CE2-CD1 4.42Å; Y50-L55 HydrophobicContact CG-CD1 3.37Å; Y50-V69 HydrophobicContact CE2-CG1 4.17Å; Y50-V71 HydrophobicContact CE2-CG2 4.28Å
51K89.9Confident87.2Confident182 Ų18270.4 Ų70.479%0.79134%0.343SS*.SBendtrans50.432.3-173.4-58.2-177.5178.9-177.60112.9A46 T47 Y49A46-K51 PolarHBondContact O-N 3.41Å; T47-K51 WeakPolarHBondContact O-CA 3.46Å; Y49-K51 VanDerWaalsContact C-N 3.32Å; Y49-K51 PolarHBondContact O-N 3.41Å
52N91.5Very high85.9Confident73 Ų7374.1 Ų74.139%0.3938%0.383SS..  trans-150102.7-175.5-172.5-5.8000111.7A46 Y50 S54 L55A46-N52 CarbonylContact O-C 3.58Å; A46-N52 PolarHBondContact O-N 3.39Å; Y50-N52 PolarHBondContact O-N 2.91Å; Y50-N52 VanDerWaalsContact O-N 3.1Å; N52-S54 VanDerWaalsContact CG-OG 3.22Å; N52-S54 PolarHBondContact ND2-OG 2.87Å; N52-S54 PolarHBondContact O-N 2.81Å; N52-S54 WeakPolarHBondContact OD1-CB 3.29Å; N52-S54 PolarHBondContact OD1-N 2.81Å; N52-S54 PolarHBondContact OD1-OG 2.99Å; N52-L55 HydrophobicContact CB-CD1 4.42Å; N52-L55 PolarHBondContact O-N 2.66Å
53L90.8Very high84.2Confident104 Ų10484.7 Ų84.755%0.54543%0.429SS..G310 helixtrans-67.4-19.3-179.9-161.171.7000113.6I43 A46 T47 L55 V56I43-L53 HydrophobicContact CG2-CD1 4.18Å; A46-L53 HydrophobicContact CB-CD1 4.46Å; T47-L53 HydrophobicContact CG2-CD1 3.67Å; L53-L55 PolarHBondContact O-N 2.72Å; L53-L55 VanDerWaalsContact O-N 3.14Å; L53-V56 HydrophobicContact CD1-CG2 4.16Å; L53-V56 WeakPolarHBondContact O-CB 3.21Å; L53-V56 WeakPolarHBondContact O-CG2 3.44Å; L53-V56 PolarHBondContact O-N 2.99Å; L53-V56 VanDerWaalsContact O-N 3.12Å
54S89.4Confident82.8Confident92 Ų9283.9 Ų83.964%0.64343%0.429SS*.G310 helixtrans-66.3-14.3-179.968.80000114.1N52 V56N52-S54 VanDerWaalsContact CG-OG 3.22Å; N52-S54 PolarHBondContact ND2-OG 2.87Å; N52-S54 PolarHBondContact O-N 2.81Å; N52-S54 WeakPolarHBondContact OD1-CB 3.29Å; N52-S54 PolarHBondContact OD1-N 2.81Å; N52-S54 PolarHBondContact OD1-OG 2.99Å; S54-V56 PolarHBondContact O-N 2.86Å
55L89.5Confident82.1Confident72 Ų7285.8 Ų85.838%0.37745%0.446SS..G310 helixtrans-74.1-16.7175.4-64.5175.3000113Y50 N52 L53 K57Y50-L55 VanDerWaalsContact CB-CD1 3.46Å; Y50-L55 HydrophobicContact CD1-CD1 3.74Å; Y50-L55 HydrophobicContact CD2-CD1 3.75Å; Y50-L55 HydrophobicContact CE1-CD1 4.41Å; Y50-L55 HydrophobicContact CE2-CD1 4.42Å; Y50-L55 HydrophobicContact CG-CD1 3.37Å; N52-L55 HydrophobicContact CB-CD1 4.42Å; N52-L55 PolarHBondContact O-N 2.66Å; L53-L55 PolarHBondContact O-N 2.72Å; L53-L55 VanDerWaalsContact O-N 3.14Å; L55-K57 PolarHBondContact O-N 2.99Å
56V89.8Confident81.7Confident30 Ų3086.4 Ų86.418%0.18245%0.449CS..  trans-73.7110.5178-175.80000109.1A46 L53 S54 V69A46-V56 HydrophobicContact CB-CG2 3.4Å; L53-V56 HydrophobicContact CD1-CG2 4.16Å; L53-V56 WeakPolarHBondContact O-CB 3.21Å; L53-V56 WeakPolarHBondContact O-CG2 3.44Å; L53-V56 PolarHBondContact O-N 2.99Å; L53-V56 VanDerWaalsContact O-N 3.12Å; S54-V56 PolarHBondContact O-N 2.86Å; V56-V69 HydrophobicContact CB-CG2 4.37Å; V56-V69 HydrophobicContact CG2-CG2 3.85Å
57K90.7Very high81.6Confident122 Ų12286.8 Ų86.853%0.5345%0.452SS..EExtended strand (participates in β ladder)trans-90.9157172.6-65.7-178.4-178.6179.60109.4L55 S67 Y68L55-K57 PolarHBondContact O-N 2.99Å; K57-S67 CarbonylContact O-C 3.52Å; K57-S67 VanDerWaalsContact O-CA 3.31Å; K57-S67 WeakPolarHBondContact O-CA 3.22Å; K57-Y68 HydrophobicContact CB-CD1 4.1Å; K57-Y68 HydrophobicContact CB-CD2 4.39Å; K57-Y68 HydrophobicContact CB-CE1 3.57Å; K57-Y68 HydrophobicContact CB-CE2 3.88Å; K57-Y68 HydrophobicContact CB-CG 4.48Å; K57-Y68 VanDerWaalsContact CB-CZ 3.44Å; K57-Y68 HydrophobicContact CD-CE2 4.04Å; K57-Y68 WeakPolarHBondContact CD-OH 3.42Å; K57-Y68 HydrophobicContact CG-CE2 4.5Å; K57-Y68 PolarHBondContact N-O 2.92Å; K57-Y68 PolarHBondContact O-N 2.93Å
58R84.1Confident81.7Confident190 Ų19086.7 Ų86.772%0.71744%0.444SS*.EExtended strand (participates in β ladder)trans-120.9135.7173.9-73.6-177.2178.4161.81110
59F78.7Confident81.9Confident71 Ų7185.3 Ų85.331%0.31144%0.437SS..EExtended strand (participates in β ladder)trans-105.8120.3165179.3-98.9000108.1E8 R61 S65 L66 Y68E8-F59 HydrophobicContact CB-CE1 3.97Å; E8-F59 HydrophobicContact CB-CZ 3.86Å; E8-F59 HydrophobicContact CG-CE2 4.44Å; E8-F59 HydrophobicContact CG-CZ 4.17Å; E8-F59 WeakPolarHBondContact OE1-CE2 3.48Å; E8-F59 WeakPolarHBondContact OE2-CE2 3.34Å; E8-F59 WeakPolarHBondContact OE2-CZ 3.31Å; F59-R61 HydrophobicContact CE1-CB 4.13Å; F59-R61 HydrophobicContact CZ-CB 4.47Å; F59-S65 CarbonylContact O-C 3.58Å; F59-S65 WeakPolarHBondContact O-CA 3.29Å; F59-L66 PolarHBondContact N-O 3.42Å; F59-L66 PolarHBondContact O-N 2.7Å; F59-Y68 HydrophobicContact CB-CE1 4.29Å
60S68.2Low82Confident90 Ų9085.2 Ų85.263%0.62944%0.442SS*.EExtended strand (participates in β ladder)trans-115.4131.1179.453.10000111.1
61R58.5Low82Confident113 Ų11381.6 Ų81.643%0.42643%0.428SS..EExtended strand (participates in β ladder)trans-138.5113.7169.6-174.3175.9169.5165.2-9.1110F5 D9 F59 K63 S64F5-R61 PolarHBondContact O-NH1 3.34Å; F5-R61 VanDerWaalsContact O-NH1 3.11Å; D9-R61 WeakPolarHBondContact OD1-CD 3.41Å; D9-R61 IonicContact OD1-CZ 2.82Å; D9-R61 IonicContact OD1-NE 3.16Å; D9-R61 PolarHBondContact OD1-NE 3.13Å; D9-R61 IonicContact OD1-NH1 2.81Å; D9-R61 PolarHBondContact OD1-NH1 2.7Å; D9-R61 IonicContact OD1-NH2 2.81Å; D9-R61 IonicContact OD2-CZ 3.15Å; D9-R61 IonicContact OD2-NE 3.92Å; D9-R61 IonicContact OD2-NH1 3.81Å; D9-R61 PolarHBondContact OD2-NH1 3.46Å; D9-R61 IonicContact OD2-NH2 3.9Å; D9-R61 PolarHBondContact OD2-NH2 3.25Å; F59-R61 HydrophobicContact CE1-CB 4.13Å; F59-R61 HydrophobicContact CZ-CB 4.47Å; R61-K63 PolarHBondContact O-N 3.44Å; R61-S64 PolarHBondContact N-O 2.88Å; R61-S64 PolarHBondContact O-N 3.14Å; R61-S64 VanDerWaalsContact O-N 3.15Å
62G63.6Low81.9Confident84 Ų8479.3 Ų79.387%0.86642%0.418SS*.THydrogen-bonded Turntrans60.2-126.5-177.200000112S64G62-S64 VanDerWaalsContact C-N 3.32Å
63K56.9Low81.4Confident221 Ų22179.7 Ų79.796%0.96142%0.416SS*.THydrogen-bonded Turntrans-82.2-4.1178.4-68.3-175.4177.6-178.90114.2R61R61-K63 PolarHBondContact O-N 3.44Å
64S63.3Low80.7Confident53 Ų5382.9 Ų82.937%0.37143%0.428SS..EExtended strand (participates in β ladder)trans-110.3126.5-173.9-50.50000110.7R61 G62R61-S64 PolarHBondContact N-O 2.88Å; R61-S64 PolarHBondContact O-N 3.14Å; R61-S64 VanDerWaalsContact O-N 3.15Å; G62-S64 VanDerWaalsContact C-N 3.32Å
65S76.5Confident80.3Confident75 Ų7580.7 Ų80.752%0.52441%0.409SS..EExtended strand (participates in β ladder)trans-124.2129.2173.863.90000110.4F59F59-S65 CarbonylContact O-C 3.58Å; F59-S65 WeakPolarHBondContact O-CA 3.29Å
66L84.5Confident79.7Confident12 Ų1277.8 Ų77.86%0.06339%0.394CS..EExtended strand (participates in β ladder)trans-114.6122.1175.3-169.867.6000109.9F11 Y12 W15 H38 D39 F59F11-L66 HydrophobicContact CE1-CD2 4.22Å; Y12-L66 HydrophobicContact CD2-CB 4.38Å; Y12-L66 HydrophobicContact CD2-CD2 4.28Å; Y12-L66 HydrophobicContact CE2-CB 4.45Å; W15-L66 HydrophobicContact CD2-CD1 4.22Å; W15-L66 HydrophobicContact CE3-CD1 4.02Å; W15-L66 HydrophobicContact CH2-CD1 3.7Å; W15-L66 HydrophobicContact CZ2-CD1 3.92Å; W15-L66 HydrophobicContact CZ3-CD1 3.76Å; H38-L66 HydrophobicContact CB-CD1 4.24Å; H38-L66 HydrophobicContact CB-CD2 4.12Å; H38-L66 HydrophobicContact CB-CG 4.25Å; H38-L66 WeakPolarHBondContact ND1-CD2 3.3Å; D39-L66 HydrophobicContact CB-CD1 4.06Å; F59-L66 PolarHBondContact N-O 3.42Å; F59-L66 PolarHBondContact O-N 2.7Å
67S90.3Very high79.4Confident9 Ų980 Ų806%0.06341%0.405CS..EExtended strand (participates in β ladder)trans-78.3146.3172.6-55.60000109.9H38 D39 K57H38-S67 CarbonylContact C-O 3.56Å; H38-S67 VanDerWaalsContact CA-O 3.31Å; H38-S67 WeakPolarHBondContact CA-O 3.19Å; D39-S67 PolarHBondContact N-O 3.08Å; K57-S67 CarbonylContact O-C 3.52Å; K57-S67 VanDerWaalsContact O-CA 3.31Å; K57-S67 WeakPolarHBondContact O-CA 3.22Å
68Y91.9Very high79.2Confident66 Ų6674.2 Ų74.226%0.25938%0.38SS..EExtended strand (participates in β ladder)trans-150.6155.417773.6-87.6000113.3L37 K57 F59L37-Y68 CarbonylContact O-C 3.58Å; L37-Y68 WeakPolarHBondContact O-CA 3.28Å; L37-Y68 VanDerWaalsContact O-CB 3.28Å; L37-Y68 WeakPolarHBondContact O-CB 3.45Å; K57-Y68 HydrophobicContact CB-CD1 4.1Å; K57-Y68 HydrophobicContact CB-CD2 4.39Å; K57-Y68 HydrophobicContact CB-CE1 3.57Å; K57-Y68 HydrophobicContact CB-CE2 3.88Å; K57-Y68 HydrophobicContact CB-CG 4.48Å; K57-Y68 VanDerWaalsContact CB-CZ 3.44Å; K57-Y68 HydrophobicContact CD-CE2 4.04Å; K57-Y68 WeakPolarHBondContact CD-OH 3.42Å; K57-Y68 HydrophobicContact CG-CE2 4.5Å; K57-Y68 PolarHBondContact N-O 2.92Å; K57-Y68 PolarHBondContact O-N 2.93Å; F59-Y68 HydrophobicContact CB-CE1 4.29Å
69V93.2Very high79.3Confident2 Ų265.2 Ų65.21%0.01235%0.346CS..EExtended strand (participates in β ladder)trans-126.5145.8171165.20000108.7T36 L37 A42 V45 A46 Y50 V56 V71T36-V69 WeakPolarHBondContact CA-O 3.4Å; L37-V69 PolarHBondContact N-O 2.98Å; L37-V69 PolarHBondContact O-N 3.04Å; A42-V69 HydrophobicContact CB-CB 4.21Å; A42-V69 HydrophobicContact CB-CG2 4.01Å; A42-V69 WeakPolarHBondContact O-CG2 3.48Å; V45-V69 HydrophobicContact CG1-CG1 4.3Å; A46-V69 HydrophobicContact CB-CG2 4.18Å; Y50-V69 HydrophobicContact CE2-CG1 4.17Å; V56-V69 HydrophobicContact CB-CG2 4.37Å; V56-V69 HydrophobicContact CG2-CG2 3.85Å; V69-V71 HydrophobicContact CG1-CG2 4.29Å
70T91Very high79.5Confident52 Ų5263 Ų6332%0.31934%0.336SS..EExtended strand (participates in β ladder)trans-110.6131.2177.9-41.10000110.3M34 M35 T36M34-T70 HydrophobicContact CB-CG2 3.76Å; M34-T70 HydrophobicContact CE-CG2 3.4Å; M34-T70 VanDerWaalsContact CE-CG2 3.4Å; M34-T70 HydrophobicContact CG-CG2 4.17Å; M35-T70 CarbonylContact O-C 3.57Å; M35-T70 WeakPolarHBondContact O-CA 3.29Å; T36-T70 HydrophobicContact CG2-CG2 4.27Å
71V89.9Confident80.3Confident1 Ų160.5 Ų60.51%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-122137.3177.1-173.30000108.9M34 M35 L37 V45 Y50 V69 N75 F78M34-V71 CarbonylContact C-O 3.54Å; M34-V71 WeakPolarHBondContact CA-O 3.14Å; M35-V71 PolarHBondContact N-O 3.11Å; M35-V71 PolarHBondContact O-N 3.45Å; L37-V71 HydrophobicContact CD1-CG2 3.72Å; V45-V71 HydrophobicContact CG1-CG2 4.47Å; Y50-V71 HydrophobicContact CE2-CG2 4.28Å; V69-V71 HydrophobicContact CG1-CG2 4.29Å; V71-N75 HydrophobicContact CG1-CB 4.36Å; V71-F78 HydrophobicContact CB-CE1 4.36Å; V71-F78 HydrophobicContact CG1-CD1 3.5Å; V71-F78 VanDerWaalsContact CG1-CD1 3.5Å; V71-F78 HydrophobicContact CG1-CE1 3.62Å; V71-F78 HydrophobicContact CG1-CG 4.1Å; V71-F78 HydrophobicContact CG1-CZ 4.33Å
72K87.2Confident81.7Confident133 Ų13355.1 Ų55.158%0.57829%0.294SS*.EExtended strand (participates in β ladder)trans-67.8135.8175-68.8-176.2176.8-176.30109.5M34 Q74 N75M34-K72 HydrophobicContact CE-CG 3.76Å; M34-K72 HydrophobicContact SD-CB 4.3Å; M34-K72 HydrophobicContact SD-CG 3.75Å; K72-Q74 PolarHBondContact O-N 3.38Å; K72-N75 HydrophobicContact CB-CB 4.46Å; K72-N75 WeakPolarHBondContact O-CB 3.37Å; K72-N75 PolarHBondContact O-N 2.85Å
73K81.2Confident82.7Confident82 Ų8251.1 Ų51.136%0.35725%0.253SS..THydrogen-bonded Turntrans-59.8-30.4179.9-175.5178.9169.9-174.10113.2E30 E33 N75E30-K73 VanDerWaalsContact OE1-CE 3.26Å; E30-K73 WeakPolarHBondContact OE1-CE 3.37Å; E30-K73 IonicContact OE1-NZ 2.83Å; E30-K73 PolarHBondContact OE1-NZ 2.89Å; E33-K73 WeakPolarHBondContact O-CB 3.25Å; E33-K73 PolarHBondContact O-N 2.9Å; K73-N75 VanDerWaalsContact C-N 3.28Å; K73-N75 PolarHBondContact O-N 3.3Å
74Q77.3Confident83.8Confident171 Ų17142.5 Ų42.580%0.79922%0.217SC*.THydrogen-bonded Turntrans-69.9-21.5176.1-65.7175.1-6.200113.6K72 T76K72-Q74 PolarHBondContact O-N 3.38Å; Q74-T76 PolarHBondContact O-N 3.34Å
75N79.6Confident84.5Confident45 Ų4544.8 Ų44.824%0.24122%0.22CC..  trans-81.797.5177.9-172.2-22.5000108.3Y49 V71 K72 K73 D77 F78Y49-N75 PolarHBondContact OH-ND2 2.95Å; Y49-N75 PolarHBondContact OH-OD1 2.82Å; V71-N75 HydrophobicContact CG1-CB 4.36Å; K72-N75 HydrophobicContact CB-CB 4.46Å; K72-N75 WeakPolarHBondContact O-CB 3.37Å; K72-N75 PolarHBondContact O-N 2.85Å; K73-N75 VanDerWaalsContact C-N 3.28Å; K73-N75 PolarHBondContact O-N 3.3Å; N75-D77 PolarHBondContact OD1-N 3.29Å; N75-F78 WeakPolarHBondContact O-CD1 3.36Å; N75-F78 WeakPolarHBondContact O-CE1 3.26Å
76T78.1Confident84.8Confident11 Ų1147 Ų477%0.06722%0.217CC..  trans-91.6-4.9178.258.90000112.8Q74 F78 L79 R80 L122Q74-T76 PolarHBondContact O-N 3.34Å; T76-F78 VanDerWaalsContact C-N 3.35Å; T76-F78 PolarHBondContact O-N 2.97Å; T76-L79 WeakPolarHBondContact O-CB 3.27Å; T76-L79 PolarHBondContact O-N 2.87Å; T76-L79 VanDerWaalsContact O-N 3.14Å; T76-R80 PolarHBondContact O-N 3.15Å; T76-R80 VanDerWaalsContact O-N 3.13Å; T76-R80 PolarHBondContact OG1-NH1 3.37Å; T76-L122 VanDerWaalsContact CB-O 3.24Å; T76-L122 WeakPolarHBondContact CB-O 3.46Å; T76-L122 HydrophobicContact CG2-CB 3.92Å; T76-L122 HydrophobicContact CG2-CD2 4.16Å; T76-L122 WeakPolarHBondContact CG2-O 3.44Å; T76-L122 PolarHBondContact OG1-O 3.48Å
77D82.8Confident84.8Confident77 Ų7748.5 Ų48.541%0.41222%0.224SC..Hα-helixtrans-70.1-31.2-177.4-61.4-31.2000112.5N75 L79 R80 H81N75-D77 PolarHBondContact OD1-N 3.29Å; D77-L79 VanDerWaalsContact C-N 3.3Å; D77-L79 PolarHBondContact O-N 3.13Å; D77-R80 WeakPolarHBondContact O-CB 3.42Å; D77-R80 PolarHBondContact O-N 2.9Å; D77-R80 IonicContact OD1-CZ 2.82Å; D77-R80 IonicContact OD1-NH1 2.85Å; D77-R80 PolarHBondContact OD1-NH1 2.99Å; D77-H81 PolarHBondContact O-N 2.98Å
78F86.6Confident84.7Confident0 Ų050.1 Ų50.10%023%0.229CC..Hα-helixtrans-65.6-36.1172.790.9-82000111.4L26 M35 Y49 V71 N75 T76 H81 F82L26-F78 HydrophobicContact CD2-CE2 4.4Å; M35-F78 HydrophobicContact CE-CE1 3.38Å; M35-F78 HydrophobicContact CE-CZ 3.47Å; M35-F78 VanDerWaalsContact CE-CZ 3.47Å; M35-F78 HydrophobicContact SD-CZ 4.29Å; Y49-F78 HydrophobicContact CD1-CB 3.86Å; Y49-F78 HydrophobicContact CD2-CB 4.18Å; Y49-F78 HydrophobicContact CE1-CB 3.59Å; Y49-F78 HydrophobicContact CE2-CB 3.95Å; Y49-F78 HydrophobicContact CG-CB 4.13Å; Y49-F78 PolarHBondContact OH-N 2.9Å; V71-F78 HydrophobicContact CB-CE1 4.36Å; V71-F78 HydrophobicContact CG1-CD1 3.5Å; V71-F78 VanDerWaalsContact CG1-CD1 3.5Å; V71-F78 HydrophobicContact CG1-CE1 3.62Å; V71-F78 HydrophobicContact CG1-CG 4.1Å; V71-F78 HydrophobicContact CG1-CZ 4.33Å; N75-F78 WeakPolarHBondContact O-CD1 3.36Å; N75-F78 WeakPolarHBondContact O-CE1 3.26Å; T76-F78 VanDerWaalsContact C-N 3.35Å; T76-F78 PolarHBondContact O-N 2.97Å; F78-H81 PolarHBondContact O-N 2.81Å; F78-F82 HydrophobicContact CD2-CD2 4.36Å; F78-F82 VanDerWaalsContact O-CD2 3.29Å; F78-F82 WeakPolarHBondContact O-CD2 3.06Å; F78-F82 PolarHBondContact O-N 2.77Å; F78-F82 VanDerWaalsContact O-N 3.07Å
79L86.5Confident84.7Confident2 Ų249.4 Ų49.41%0.0123%0.226CC..Hα-helixtrans-64.2-44.3175.1-61174.6000109.9T76 D77 H81 F82 L83 I90 I119 L122 L123T76-L79 WeakPolarHBondContact O-CB 3.27Å; T76-L79 PolarHBondContact O-N 2.87Å; T76-L79 VanDerWaalsContact O-N 3.14Å; D77-L79 VanDerWaalsContact C-N 3.3Å; D77-L79 PolarHBondContact O-N 3.13Å; L79-H81 PolarHBondContact O-N 3.03Å; L79-F82 PolarHBondContact O-N 3.18Å; L79-L83 HydrophobicContact CB-CD1 4.39Å; L79-L83 VanDerWaalsContact O-CB 3.29Å; L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 WeakPolarHBondContact O-CD1 3.49Å; L79-L83 WeakPolarHBondContact O-CG 3.26Å; L79-L83 PolarHBondContact O-N 3.49Å; L79-I90 HydrophobicContact CB-CD1 4.28Å; L79-I90 HydrophobicContact CD2-CD1 3.52Å; L79-I90 HydrophobicContact CD2-CG2 4.12Å; L79-I119 HydrophobicContact CD1-CG2 4.02Å; L79-L122 HydrophobicContact CD1-CD1 4.49Å; L79-L123 HydrophobicContact CB-CD2 4.38Å
80R81.5Confident84.6Confident24 Ų2449.3 Ų49.39%0.09123%0.225CC..Hα-helixtrans-58.3-46.4174.8-72.9-176.8-174.998.2-0.4111.9T76 D77 F82 L84 L123 S125 T126T76-R80 PolarHBondContact O-N 3.15Å; T76-R80 VanDerWaalsContact O-N 3.13Å; T76-R80 PolarHBondContact OG1-NH1 3.37Å; D77-R80 WeakPolarHBondContact O-CB 3.42Å; D77-R80 PolarHBondContact O-N 2.9Å; D77-R80 IonicContact OD1-CZ 2.82Å; D77-R80 IonicContact OD1-NH1 2.85Å; D77-R80 PolarHBondContact OD1-NH1 2.99Å; R80-F82 PolarHBondContact O-N 3.48Å; R80-L84 HydrophobicContact CB-CD1 4.27Å; R80-L84 HydrophobicContact CG-CD1 4.28Å; R80-L84 WeakPolarHBondContact O-CA 3.41Å; R80-L84 VanDerWaalsContact O-CB 3.26Å; R80-L84 WeakPolarHBondContact O-CB 3.39Å; R80-L84 PolarHBondContact O-N 2.87Å; R80-L123 HydrophobicContact CG-CD2 3.51Å; R80-L123 PolarHBondContact NE-O 2.93Å; R80-L123 PolarHBondContact NH2-O 3.39Å; R80-S125 PolarHBondContact NH2-OG 3.47Å; R80-T126 PolarHBondContact NH1-OG1 3.3Å; R80-T126 VanDerWaalsContact NH1-OG1 3.11Å; R80-T126 PolarHBondContact NH2-OG1 3.29Å
81H84.9Confident84.7Confident38 Ų3848.3 Ų48.318%0.17622%0.217CC..Iπ-helixtrans-58.6-49.5179.4179.283.2000111.7D48 Y49 D77 F78 L79 K85 R86D48-H81 IonicContact OD2-CD2 3.28Å; D48-H81 IonicContact OD2-CE1 3.71Å; D48-H81 IonicContact OD2-NE2 2.74Å; D48-H81 PolarHBondContact OD2-NE2 3.49Å; Y49-H81 HydrophobicContact CD2-CB 3.95Å; Y49-H81 AromaticContact CD2-CG 3.96Å; Y49-H81 HydrophobicContact CE2-CB 4.27Å; D77-H81 PolarHBondContact O-N 2.98Å; F78-H81 PolarHBondContact O-N 2.81Å; L79-H81 PolarHBondContact O-N 3.03Å; H81-K85 WeakPolarHBondContact O-CA 3.43Å; H81-K85 VanDerWaalsContact O-CB 3.31Å; H81-K85 WeakPolarHBondContact O-CB 3.4Å; H81-K85 PolarHBondContact O-N 2.97Å; H81-K85 VanDerWaalsContact O-N 3.14Å; H81-R86 PolarHBondContact O-N 3.37Å
82F88.6Confident84.7Confident0 Ų048.5 Ų48.50%022%0.218CC..Iπ-helixtrans-72.8-40-178.9-77.8-72.3000113.1L26 L44 V45 D48 F78 L79 R80 R86 Q87 Y88 I90L26-F82 HydrophobicContact CD2-CD2 4.13Å; L26-F82 HydrophobicContact CD2-CG 4.21Å; L44-F82 HydrophobicContact CD1-CE1 4.44Å; L44-F82 HydrophobicContact CD2-CD1 4.49Å; L44-F82 HydrophobicContact CD2-CE1 3.82Å; L44-F82 HydrophobicContact CG-CE1 3.79Å; L44-F82 HydrophobicContact CG-CZ 4.14Å; V45-F82 HydrophobicContact CB-CE2 4.37Å; V45-F82 HydrophobicContact CB-CZ 4.49Å; V45-F82 HydrophobicContact CG2-CD2 4.47Å; V45-F82 HydrophobicContact CG2-CE2 3.65Å; V45-F82 HydrophobicContact CG2-CZ 3.9Å; D48-F82 HydrophobicContact CB-CZ 4.27Å; F78-F82 HydrophobicContact CD2-CD2 4.36Å; F78-F82 VanDerWaalsContact O-CD2 3.29Å; F78-F82 WeakPolarHBondContact O-CD2 3.06Å; F78-F82 PolarHBondContact O-N 2.77Å; F78-F82 VanDerWaalsContact O-N 3.07Å; L79-F82 PolarHBondContact O-N 3.18Å; R80-F82 PolarHBondContact O-N 3.48Å; F82-R86 HydrophobicContact CD1-CB 4.37Å; F82-R86 CarbonylContact O-C 3.58Å; F82-Q87 PolarHBondContact O-N 2.69Å; F82-Y88 HydrophobicContact CD1-CD2 4.22Å; F82-Y88 HydrophobicContact CD1-CG 4.15Å; F82-Y88 PolarHBondContact O-N 2.81Å; F82-I90 HydrophobicContact CB-CD1 4.32Å
83L85.4Confident84.9Confident0 Ų043 Ų430%019%0.194CC..Iπ-helixtrans-74-47.6179.6-72.5161.8000113.1L79 Q87 Y88 I90 A111 L116 I119 L123L79-L83 HydrophobicContact CB-CD1 4.39Å; L79-L83 VanDerWaalsContact O-CB 3.29Å; L79-L83 WeakPolarHBondContact O-CB 3.48Å; L79-L83 WeakPolarHBondContact O-CD1 3.49Å; L79-L83 WeakPolarHBondContact O-CG 3.26Å; L79-L83 PolarHBondContact O-N 3.49Å; L83-Q87 WeakPolarHBondContact O-CA 3.32Å; L83-Y88 WeakPolarHBondContact CD2-O 2.91Å; L83-I90 HydrophobicContact CD1-CD1 3.88Å; L83-I90 HydrophobicContact CD2-CB 4.46Å; L83-I90 HydrophobicContact CD2-CD1 4.09Å; L83-I90 HydrophobicContact CD2-CG1 3.94Å; L83-I90 HydrophobicContact CG-CD1 3.59Å; L83-I90 HydrophobicContact CG-CG1 4.01Å; L83-A111 HydrophobicContact CD1-CB 4.35Å; L83-A111 HydrophobicContact CD2-CB 3.96Å; L83-L116 HydrophobicContact CB-CD2 4.36Å; L83-L116 HydrophobicContact CD1-CD2 4.12Å; L83-L116 HydrophobicContact CD2-CD2 4.27Å; L83-L116 HydrophobicContact CG-CD2 4.5Å; L83-I119 HydrophobicContact CD1-CD1 4.18Å; L83-L123 HydrophobicContact CD1-CD1 4.45Å
84L78.8Confident85.2Confident40 Ų4040.4 Ų40.421%0.20919%0.185CC..Iπ-helixtrans-97-36.5-167.2-51.2177.3000112.9R80 L116 V130 R185R80-L84 HydrophobicContact CB-CD1 4.27Å; R80-L84 HydrophobicContact CG-CD1 4.28Å; R80-L84 WeakPolarHBondContact O-CA 3.41Å; R80-L84 VanDerWaalsContact O-CB 3.26Å; R80-L84 WeakPolarHBondContact O-CB 3.39Å; R80-L84 PolarHBondContact O-N 2.87Å; L84-L116 HydrophobicContact CD2-CD1 3.85Å; L84-L116 HydrophobicContact CD2-CD2 4.44Å; L84-V130 HydrophobicContact CD1-CG1 4.4Å; L84-V130 HydrophobicContact CD2-CG1 4.4Å; L84-R185 VanDerWaalsContact CD2-NH1 3.27Å
85K79Confident85.4Confident101 Ų10133.1 Ų33.144%0.43915%0.153SC..Iπ-helixtrans-91.9-45.3-178.5-171.6170.8-179.8156.90112.3H81 P319 D320H81-K85 WeakPolarHBondContact O-CA 3.43Å; H81-K85 VanDerWaalsContact O-CB 3.31Å; H81-K85 WeakPolarHBondContact O-CB 3.4Å; H81-K85 PolarHBondContact O-N 2.97Å; H81-K85 VanDerWaalsContact O-N 3.14Å; K85-P319 PolarHBondContact NZ-O 2.97Å; K85-D320 IonicContact NZ-OD1 2.59Å; K85-D320 PolarHBondContact NZ-OD1 2.91Å; K85-D320 VanDerWaalsContact NZ-OD1 3.11Å
86R82.1Confident85Confident120 Ų12035 Ų3545%0.45317%0.166SC..SBendtrans-97.4-11-177.2-59.5-67.4-104.7158-5.1114.4D48 H81 F82 Y88D48-R86 IonicContact OD1-CZ 3.78Å; D48-R86 VanDerWaalsContact OD1-CZ 3.3Å; D48-R86 IonicContact OD1-NE 2.78Å; D48-R86 PolarHBondContact OD1-NE 2.85Å; D48-R86 VanDerWaalsContact OD1-NE 3.17Å; D48-R86 IonicContact OD1-NH2 3.9Å; D48-R86 PolarHBondContact OD1-NH2 2.93Å; D48-R86 WeakPolarHBondContact OD2-CG 3.48Å; D48-R86 IonicContact OD2-CZ 3.87Å; D48-R86 IonicContact OD2-NE 2.67Å; D48-R86 PolarHBondContact OD2-NE 3.2Å; D48-R86 IonicContact OD2-NH2 3.57Å; H81-R86 PolarHBondContact O-N 3.37Å; F82-R86 HydrophobicContact CD1-CB 4.37Å; F82-R86 CarbonylContact O-C 3.58Å; R86-Y88 HydrophobicContact CB-CD2 3.59Å; R86-Y88 HydrophobicContact CB-CE2 3.81Å; R86-Y88 VanDerWaalsContact O-CD2 3.29Å; R86-Y88 WeakPolarHBondContact O-CD2 3.17Å
87Q84.4Confident84.3Confident45 Ų4536.5 Ų36.521%0.2118%0.176CC..  trans58.646.2179-57.8-178.7-15.300114.9F82 L83 P113 G223F82-Q87 PolarHBondContact O-N 2.69Å; L83-Q87 WeakPolarHBondContact O-CA 3.32Å; Q87-P113 HydrophobicContact CB-CB 4.47Å; Q87-P113 HydrophobicContact CB-CG 3.94Å; Q87-G223 PolarHBondContact NE2-O 3.03Å; Q87-G223 PolarHBondContact OE1-O 3.22Å
88Y89.5Confident83.1Confident43 Ų4343.5 Ų43.517%0.16920%0.202CC..  trans-92.5150173.9-80.7-116.9000110.9P23 T24 L44 F82 L83 R86P23-Y88 VanDerWaalsContact O-CE1 3.23Å; P23-Y88 WeakPolarHBondContact O-CE1 3.44Å; T24-Y88 VanDerWaalsContact C-CD1 3.49Å; T24-Y88 CarbonylContact O-C 3.55Å; T24-Y88 WeakPolarHBondContact O-CA 3.38Å; L44-Y88 HydrophobicContact CD2-CD1 4.15Å; L44-Y88 HydrophobicContact CD2-CE1 3.47Å; L44-Y88 VanDerWaalsContact CD2-CE1 3.47Å; F82-Y88 HydrophobicContact CD1-CD2 4.22Å; F82-Y88 HydrophobicContact CD1-CG 4.15Å; F82-Y88 PolarHBondContact O-N 2.81Å; L83-Y88 WeakPolarHBondContact CD2-O 2.91Å; R86-Y88 HydrophobicContact CB-CD2 3.59Å; R86-Y88 HydrophobicContact CB-CE2 3.81Å; R86-Y88 VanDerWaalsContact O-CD2 3.29Å; R86-Y88 WeakPolarHBondContact O-CD2 3.17Å
89R91.3Very high81.4Confident50 Ų5047.7 Ų47.719%0.18923%0.231CC..EExtended strand (participates in β ladder)trans-79.1147.6164.6-70.9170.5-82.7-165.2-9.2109.6T24 T25 L26 A111 L225 T227T24-R89 PolarHBondContact O-N 3.35Å; T24-R89 PolarHBondContact OG1-NH2 2.91Å; T25-R89 CarbonylContact C-O 3.53Å; T25-R89 WeakPolarHBondContact CA-O 3.35Å; T25-R89 HydrophobicContact CG2-CB 4.2Å; L26-R89 PolarHBondContact N-O 2.84Å; R89-A111 CarbonylContact C-O 3.51Å; R89-A111 WeakPolarHBondContact CA-O 3.49Å; R89-L225 HydrophobicContact CG-CD2 3.83Å; R89-T227 PolarHBondContact NH1-OG1 3.44Å; R89-T227 VanDerWaalsContact NH1-OG1 3.15Å
90I91.6Very high79.8Confident1 Ų149 Ų491%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-125.7130.1178.7-59-170.5000109.9L26 L79 F82 L83 I92 K110 A111L26-I90 HydrophobicContact CB-CG1 4.43Å; L26-I90 WeakPolarHBondContact O-CA 3.47Å; L79-I90 HydrophobicContact CB-CD1 4.28Å; L79-I90 HydrophobicContact CD2-CD1 3.52Å; L79-I90 HydrophobicContact CD2-CG2 4.12Å; F82-I90 HydrophobicContact CB-CD1 4.32Å; L83-I90 HydrophobicContact CD1-CD1 3.88Å; L83-I90 HydrophobicContact CD2-CB 4.46Å; L83-I90 HydrophobicContact CD2-CD1 4.09Å; L83-I90 HydrophobicContact CD2-CG1 3.94Å; L83-I90 HydrophobicContact CG-CD1 3.59Å; L83-I90 HydrophobicContact CG-CG1 4.01Å; I90-I92 HydrophobicContact CG2-CD1 4.41Å; I90-I92 HydrophobicContact CG2-CG1 3.89Å; I90-K110 WeakPolarHBondContact O-CA 2.88Å; I90-A111 PolarHBondContact N-O 3.14Å; I90-A111 PolarHBondContact O-N 3.16Å
91E92.8Very high78.4Confident30 Ų3055.9 Ų55.914%0.1427%0.271CS..EExtended strand (participates in β ladder)trans-116121.4171.3-58.4-174.1140.100108.3T25 L26 R27 C28 Y93 L107 K110T25-E91 HydrophobicContact CG2-CG 3.88Å; L26-E91 PolarHBondContact O-N 2.97Å; R27-E91 HydrophobicContact CG-CB 4.31Å; R27-E91 WeakPolarHBondContact CG-OE2 3.38Å; R27-E91 IonicContact CZ-OE2 2.7Å; R27-E91 IonicContact NE-OE2 3.89Å; R27-E91 PolarHBondContact NE-OE2 3.41Å; C28-E91 PolarHBondContact N-O 3.45Å; E91-Y93 HydrophobicContact CB-CD2 4.45Å; E91-Y93 HydrophobicContact CB-CE2 3.79Å; E91-Y93 PolarHBondContact OE2-OH 2.75Å; E91-L107 HydrophobicContact CB-CD1 3.88Å; E91-L107 HydrophobicContact CG-CD1 4.42Å; E91-K110 HydrophobicContact CG-CG 4.35Å; E91-K110 WeakPolarHBondContact OE1-CE 2.94Å
92I90.6Very high77.1Confident6 Ų658.4 Ų58.43%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-109.1123.5174.6-46.1-169.4000109.5C28 E30 M35 I90 K108 L109C28-I92 HydrophobicContact CB-CG1 4.18Å; C28-I92 HydrophobicContact CB-CG2 4.4Å; C28-I92 CarbonylContact O-C 3.06Å; C28-I92 WeakPolarHBondContact O-CA 3.25Å; E30-I92 HydrophobicContact CB-CG2 4.46Å; M35-I92 HydrophobicContact SD-CD1 4.2Å; M35-I92 HydrophobicContact SD-CG2 4.44Å; I90-I92 HydrophobicContact CG2-CD1 4.41Å; I90-I92 HydrophobicContact CG2-CG1 3.89Å; I92-K108 VanDerWaalsContact O-CB 3.31Å; I92-K108 WeakPolarHBondContact O-CB 3.4Å; I92-K108 PolarHBondContact O-N 3.24Å; I92-L109 HydrophobicContact CB-CD1 4.16Å; I92-L109 HydrophobicContact CB-CD2 4.13Å; I92-L109 HydrophobicContact CB-CG 3.84Å; I92-L109 HydrophobicContact CD1-CD1 3.77Å; I92-L109 HydrophobicContact CD1-CD2 4.13Å; I92-L109 HydrophobicContact CD1-CG 4.2Å; I92-L109 HydrophobicContact CG1-CD1 3.74Å; I92-L109 HydrophobicContact CG1-CD2 4.38Å; I92-L109 HydrophobicContact CG1-CG 4Å; I92-L109 PolarHBondContact N-O 3.29Å; I92-L109 PolarHBondContact O-N 3.37Å
93Y91Very high75.9Confident18 Ų1860.6 Ų60.67%0.07130%0.297CS..EExtended strand (participates in β ladder)trans-102.3139.9177.5-68.5-96.8000110.7F14 L18 R27 C28 F29 E30 E91 S106 L107F14-Y93 HydrophobicContact CE1-CD1 4.19Å; F14-Y93 HydrophobicContact CE1-CE1 4.5Å; F14-Y93 HydrophobicContact CZ-CD1 4.09Å; F14-Y93 HydrophobicContact CZ-CE1 4.23Å; L18-Y93 HydrophobicContact CD1-CE1 4.29Å; L18-Y93 HydrophobicContact CD1-CE2 4.25Å; L18-Y93 HydrophobicContact CD2-CE1 3.84Å; R27-Y93 HydrophobicContact CB-CE2 4.5Å; R27-Y93 HydrophobicContact CG-CE2 4.24Å; C28-Y93 PolarHBondContact O-N 2.93Å; F29-Y93 HydrophobicContact CD1-CG 4.31Å; F29-Y93 HydrophobicContact CE1-CD2 4.16Å; F29-Y93 HydrophobicContact CE1-CG 4.07Å; F29-Y93 HydrophobicContact CZ-CD2 4.34Å; E30-Y93 PolarHBondContact N-O 3.18Å; E91-Y93 HydrophobicContact CB-CD2 4.45Å; E91-Y93 HydrophobicContact CB-CE2 3.79Å; E91-Y93 PolarHBondContact OE2-OH 2.75Å; Y93-S106 CarbonylContact C-O 3.39Å; Y93-S106 VanDerWaalsContact CA-O 3.27Å; Y93-S106 WeakPolarHBondContact CA-O 3.42Å; Y93-L107 HydrophobicContact CD1-CB 4.27Å; Y93-L107 HydrophobicContact CE1-CB 3.98Å; Y93-L107 HydrophobicContact CE1-CD1 4.23Å; Y93-L107 HydrophobicContact CE2-CD1 4.11Å
94C87.6Confident75.4Confident27 Ų2766.8 Ų66.818%0.18233%0.326CS..EExtended strand (participates in β ladder)trans-124.5151.8171.7640000111E30 W105 S106 K108E30-C94 HydrophobicContact CB-CB 4.43Å; C94-W105 WeakPolarHBondContact O-CA 3.44Å; C94-S106 PolarHBondContact N-O 2.83Å; C94-S106 PolarHBondContact O-N 3.16Å; C94-K108 HydrophobicContact CB-CB 4.25Å; C94-K108 HydrophobicContact CB-CD 4.09Å
95S81.5Confident75.6Confident18 Ų1865.9 Ų65.913%0.12632%0.32CS..EExtended strand (participates in β ladder)trans-73.7142.1169.2177.90000110.3T97 G100 D102 E104S95-T97 PolarHBondContact O-N 3.43Å; S95-T97 PolarHBondContact OG-N 3.37Å; S95-T97 PolarHBondContact OG-O 2.96Å; S95-T97 PolarHBondContact OG-OG1 3.41Å; S95-G100 WeakPolarHBondContact OG-CA 3.4Å; S95-D102 PolarHBondContact OG-O 2.88Å; S95-E104 WeakPolarHBondContact CA-O 3.36Å
96T69.9Low76Confident83 Ų8363.6 Ų63.651%0.50932%0.316SS..SBendtrans-61-23.2174.639.80000112.7E104T96-E104 PolarHBondContact N-O 3.11Å; T96-E104 VanDerWaalsContact N-O 3.13Å; T96-E104 WeakPolarHBondContact OG1-CB 3.15Å; T96-E104 PolarHBondContact OG1-O 3.49Å; T96-E104 PolarHBondContact OG1-OE2 2.84Å
97T64.2Low76.2Confident44 Ų4461.1 Ų61.127%0.2731%0.312SS..SBendtrans-104.2136.9174.360.70000111.6S95 C99 G100 D102S95-T97 PolarHBondContact O-N 3.43Å; S95-T97 PolarHBondContact OG-N 3.37Å; S95-T97 PolarHBondContact OG-O 2.96Å; S95-T97 PolarHBondContact OG-OG1 3.41Å; T97-C99 PolarHBondContact O-N 3.48Å; T97-G100 PolarHBondContact O-N 2.94Å; T97-D102 HydrophobicContact CG2-CB 4.19Å; T97-D102 VanDerWaalsContact CG2-OD2 3.25Å; T97-D102 WeakPolarHBondContact CG2-OD2 3.17Å
98K56.7Low76.3Confident223 Ų22363.9 Ų63.997%0.9732%0.323SS*.THydrogen-bonded Turntrans-52.8-17.7176.7-73.6-175.3178.3179.40114
99C51.3Low76.1Confident88 Ų8863.2 Ų63.260%0.59532%0.322SS*.THydrogen-bonded Turntrans-103.9-2.8-177.3-69.40000114.8T97 R101T97-C99 PolarHBondContact O-N 3.48Å; C99-R101 HydrophobicContact CB-CG 3.92Å; C99-R101 PolarHBondContact O-N 2.93Å; C99-R101 VanDerWaalsContact O-N 3.12Å
100G53.3Low76Confident29 Ų2966.2 Ų66.230%0.29934%0.337SS..SBendtrans60.821.1179.400000114.8S95 T97S95-G100 WeakPolarHBondContact OG-CA 3.4Å; T97-G100 PolarHBondContact O-N 2.94Å
101R52.2Low75.8Confident170 Ų17066.4 Ų66.464%0.64234%0.338SS*.  trans-86.9-31.9-173.9-67.8-176-169.8177.13.7112.4M7 C99M7-R101 HydrophobicContact SD-CB 4.22Å; M7-R101 HydrophobicContact SD-CG 4Å; C99-R101 HydrophobicContact CB-CG 3.92Å; C99-R101 PolarHBondContact O-N 2.93Å; C99-R101 VanDerWaalsContact O-N 3.12Å
102D58.5Low75.7Confident91 Ų9165.3 Ų65.349%0.48733%0.334SS..SBendtrans-92.2116.6174-57.1-25.6000106.2S95 T97 E104S95-D102 PolarHBondContact OG-O 2.88Å; T97-D102 HydrophobicContact CG2-CB 4.19Å; T97-D102 VanDerWaalsContact CG2-OD2 3.25Å; T97-D102 WeakPolarHBondContact CG2-OD2 3.17Å; D102-E104 PolarHBondContact O-N 2.96Å
103N63.4Low75.4Confident46 Ų4665 Ų6525%0.24633%0.333CS..  trans-68.127.6-174.9-79.2-51000113.8M7 G10 F11M7-N103 PolarHBondContact O-ND2 2.78Å; M7-N103 VanDerWaalsContact O-ND2 3.11Å; M7-N103 PolarHBondContact O-OD1 2.89Å; M7-N103 VanDerWaalsContact O-OD1 3.07Å; G10-N103 WeakPolarHBondContact CA-ND2 3.44Å; F11-N103 PolarHBondContact N-OD1 3.44Å
104E74.4Confident75Confident130 Ų13064.2 Ų64.261%0.60733%0.33SS*.  trans-90.4112.6172.3-70-176175.400109.2S95 T96 D102S95-E104 WeakPolarHBondContact CA-O 3.36Å; T96-E104 PolarHBondContact N-O 3.11Å; T96-E104 VanDerWaalsContact N-O 3.13Å; T96-E104 WeakPolarHBondContact OG1-CB 3.15Å; T96-E104 PolarHBondContact OG1-O 3.49Å; T96-E104 PolarHBondContact OG1-OE2 2.84Å; D102-E104 PolarHBondContact O-N 2.96Å
105W83.4Confident74.8Confident21 Ų2164.2 Ų64.28%0.0833%0.328CS..EExtended strand (participates in β ladder)trans-114.1129.8-179.7-67.684.4000108.8F11 F14 F29 E30 R31 C94F11-W105 HydrophobicContact CD2-CD2 4.43Å; F11-W105 AromaticContact CD2-CE2 3.57Å; F11-W105 HydrophobicContact CD2-CH2 4.5Å; F11-W105 AromaticContact CD2-CZ2 3.62Å; F11-W105 HydrophobicContact CD2-CZ2 3.62Å; F11-W105 AromaticContact CD2-NE1 3.55Å; F11-W105 HydrophobicContact CE2-CD2 4.4Å; F11-W105 AromaticContact CE2-CE2 3.9Å; F11-W105 HydrophobicContact CE2-CH2 4.34Å; F11-W105 AromaticContact CE2-CZ2 3.87Å; F11-W105 HydrophobicContact CE2-CZ2 3.87Å; F14-W105 HydrophobicContact CD1-CB 3.67Å; F14-W105 AromaticContact CD1-CD1 3.79Å; F14-W105 AromaticContact CD1-CG 3.82Å; F14-W105 HydrophobicContact CD1-CG 3.82Å; F14-W105 HydrophobicContact CD2-CB 4.1Å; F14-W105 HydrophobicContact CE1-CB 3.29Å; F14-W105 AromaticContact CE1-CG 3.9Å; F14-W105 HydrophobicContact CE1-CG 3.9Å; F14-W105 HydrophobicContact CE2-CB 3.74Å; F14-W105 VanDerWaalsContact CE2-O 3.3Å; F14-W105 WeakPolarHBondContact CE2-O 3.4Å; F14-W105 HydrophobicContact CG-CB 4.07Å; F14-W105 AromaticContact CG-CD1 3.86Å; F14-W105 HydrophobicContact CG-CG 4.23Å; F14-W105 HydrophobicContact CZ-CB 3.33Å; F14-W105 HydrophobicContact CZ-CG 4.35Å; F14-W105 VanDerWaalsContact CZ-O 3.32Å; F14-W105 WeakPolarHBondContact CZ-O 3.45Å; F29-W105 HydrophobicContact CB-CH2 4.31Å; F29-W105 HydrophobicContact CB-CZ3 3.94Å; F29-W105 HydrophobicContact CD1-CD2 4.33Å; F29-W105 AromaticContact CD1-CE3 3.91Å; F29-W105 HydrophobicContact CD1-CE3 3.91Å; F29-W105 HydrophobicContact CD1-CZ3 4.13Å; E30-W105 WeakPolarHBondContact O-CZ3 3.38Å; R31-W105 HydrophobicContact CG-CH2 4.06Å; C94-W105 WeakPolarHBondContact O-CA 3.44Å
106S86.5Confident74.8Confident52 Ų5264.3 Ų64.336%0.36433%0.327SS..EExtended strand (participates in β ladder)trans-115.2149.2174.659.90000110Y93 C94 K108Y93-S106 CarbonylContact C-O 3.39Å; Y93-S106 VanDerWaalsContact CA-O 3.27Å; Y93-S106 WeakPolarHBondContact CA-O 3.42Å; C94-S106 PolarHBondContact N-O 2.83Å; C94-S106 PolarHBondContact O-N 3.16Å; S106-K108 PolarHBondContact O-N 3.48Å
107L86.9Confident75.1Confident69 Ų6963.2 Ų63.236%0.36132%0.323SS..EExtended strand (participates in β ladder)trans-69.5112.5172176.772.9000108.2E91 Y93 K110E91-L107 HydrophobicContact CB-CD1 3.88Å; E91-L107 HydrophobicContact CG-CD1 4.42Å; Y93-L107 HydrophobicContact CD1-CB 4.27Å; Y93-L107 HydrophobicContact CE1-CB 3.98Å; Y93-L107 HydrophobicContact CE1-CD1 4.23Å; Y93-L107 HydrophobicContact CE2-CD1 4.11Å; L107-K110 HydrophobicContact CD1-CG 4Å; L107-K110 HydrophobicContact CD2-CD 3.68Å; L107-K110 HydrophobicContact CD2-CG 3.79Å; L107-K110 HydrophobicContact CG-CG 4.26Å
108K85.4Confident75.6Confident103 Ų10363.6 Ų63.645%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-80.3-45.6-178.4-171-176.8-177.6-178.10111.6E30 I92 C94 S106E30-K108 IonicContact OE1-NZ 2.85Å; E30-K108 PolarHBondContact OE1-NZ 3.46Å; E30-K108 WeakPolarHBondContact OE2-CD 3.09Å; E30-K108 IonicContact OE2-NZ 3.02Å; E30-K108 PolarHBondContact OE2-NZ 2.86Å; I92-K108 VanDerWaalsContact O-CB 3.31Å; I92-K108 WeakPolarHBondContact O-CB 3.4Å; I92-K108 PolarHBondContact O-N 3.24Å; C94-K108 HydrophobicContact CB-CB 4.25Å; C94-K108 HydrophobicContact CB-CD 4.09Å; S106-K108 PolarHBondContact O-N 3.48Å
109L86.2Confident76.4Confident28 Ų2853 Ų5315%0.14728%0.281CS..EExtended strand (participates in β ladder)trans-155.9151.4-176.865.5103.5000111.1I92 I119I92-L109 HydrophobicContact CB-CD1 4.16Å; I92-L109 HydrophobicContact CB-CD2 4.13Å; I92-L109 HydrophobicContact CB-CG 3.84Å; I92-L109 HydrophobicContact CD1-CD1 3.77Å; I92-L109 HydrophobicContact CD1-CD2 4.13Å; I92-L109 HydrophobicContact CD1-CG 4.2Å; I92-L109 HydrophobicContact CG1-CD1 3.74Å; I92-L109 HydrophobicContact CG1-CD2 4.38Å; I92-L109 HydrophobicContact CG1-CG 4Å; I92-L109 PolarHBondContact N-O 3.29Å; I92-L109 PolarHBondContact O-N 3.37Å; L109-I119 HydrophobicContact CD1-CD1 3.52Å; L109-I119 HydrophobicContact CD1-CG1 3.48Å; L109-I119 VanDerWaalsContact CD1-CG1 3.48Å
110K89Confident77.4Confident113 Ų11349.8 Ų49.849%0.49126%0.257SS..EExtended strand (participates in β ladder)trans-121.1140.5170.9-79.1173.8163.8163.70108.4I90 E91 L107 S118I90-K110 WeakPolarHBondContact O-CA 2.88Å; E91-K110 HydrophobicContact CG-CG 4.35Å; E91-K110 WeakPolarHBondContact OE1-CE 2.94Å; L107-K110 HydrophobicContact CD1-CG 4Å; L107-K110 HydrophobicContact CD2-CD 3.68Å; L107-K110 HydrophobicContact CD2-CG 3.79Å; L107-K110 HydrophobicContact CG-CG 4.26Å; K110-S118 WeakPolarHBondContact O-CB 3.45Å; K110-S118 PolarHBondContact O-OG 2.93Å
111A88.2Confident78Confident5 Ų554 Ų544%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-136.1150.3167.500000109.5L83 R89 I90 D115 I119L83-A111 HydrophobicContact CD1-CB 4.35Å; L83-A111 HydrophobicContact CD2-CB 3.96Å; R89-A111 CarbonylContact C-O 3.51Å; R89-A111 WeakPolarHBondContact CA-O 3.49Å; I90-A111 PolarHBondContact N-O 3.14Å; I90-A111 PolarHBondContact O-N 3.16Å; A111-D115 WeakPolarHBondContact CA-O 3.22Å; A111-I119 HydrophobicContact CB-CD1 3.24Å; A111-I119 HydrophobicContact CB-CG1 3.75Å
112S88.9Confident78.9Confident7 Ų749 Ų495%0.04926%0.258CS..  trans-137.5166.2174.469.20000109.1G114 D115 L116 E186S112-G114 PolarHBondContact O-N 2.96Å; S112-G114 VanDerWaalsContact O-N 3.17Å; S112-D115 PolarHBondContact N-O 3.34Å; S112-D115 CarbonylContact O-C 3.54Å; S112-D115 VanDerWaalsContact O-C 3.24Å; S112-D115 PolarHBondContact O-N 2.87Å; S112-D115 PolarHBondContact OG-N 3.5Å; S112-L116 WeakPolarHBondContact O-CD2 3.46Å; S112-E186 WeakPolarHBondContact CB-OE2 3.24Å; S112-E186 PolarHBondContact OG-OE2 3.23Å
113P85Confident79.3Confident0 Ų044.7 Ų44.70%024%0.236CC..SBendtrans-57.4-27.7176.1-25.336.1000113.1Q87 C133 R185 L225Q87-P113 HydrophobicContact CB-CB 4.47Å; Q87-P113 HydrophobicContact CB-CG 3.94Å; P113-C133 WeakPolarHBondContact O-CB 3.42Å; P113-R185 HydrophobicContact CB-CB 4.01Å; P113-L225 HydrophobicContact CG-CD2 3.99Å
114G82.5Confident79.1Confident1 Ų145.3 Ų45.31%0.0124%0.241CC..SBendtrans-89-19.9173.600000115.3S112 E186S112-G114 PolarHBondContact O-N 2.96Å; S112-G114 VanDerWaalsContact O-N 3.17Å; G114-E186 WeakPolarHBondContact CA-OE2 3.39Å; G114-E186 PolarHBondContact N-OE2 3.34Å
115D84.7Confident78.1Confident28 Ų2843.3 Ų43.315%0.1524%0.242CC..  trans-127.397177.9-177.417000111.9A111 S112 S117 L280A111-D115 WeakPolarHBondContact CA-O 3.22Å; S112-D115 PolarHBondContact N-O 3.34Å; S112-D115 CarbonylContact O-C 3.54Å; S112-D115 VanDerWaalsContact O-C 3.24Å; S112-D115 PolarHBondContact O-N 2.87Å; S112-D115 PolarHBondContact OG-N 3.5Å; D115-S117 WeakPolarHBondContact OD1-CB 3.43Å; D115-S117 PolarHBondContact OD1-N 2.86Å; D115-S117 PolarHBondContact OD1-OG 2.7Å; D115-L280 HydrophobicContact CB-CD2 3.68Å
116L81.1Confident76.3Confident19 Ų1945.1 Ų45.110%0.09926%0.255CS..  trans-98.32.7175.8-59.5-179.2000113.1L83 L84 S112 S118 I119 E120 L123 V130 C133L83-L116 HydrophobicContact CB-CD2 4.36Å; L83-L116 HydrophobicContact CD1-CD2 4.12Å; L83-L116 HydrophobicContact CD2-CD2 4.27Å; L83-L116 HydrophobicContact CG-CD2 4.5Å; L84-L116 HydrophobicContact CD2-CD1 3.85Å; L84-L116 HydrophobicContact CD2-CD2 4.44Å; S112-L116 WeakPolarHBondContact O-CD2 3.46Å; L116-S118 PolarHBondContact O-N 3.11Å; L116-S118 VanDerWaalsContact O-N 3.1Å; L116-I119 PolarHBondContact O-N 3.17Å; L116-I119 VanDerWaalsContact O-N 3.1Å; L116-E120 PolarHBondContact O-N 3.35Å; L116-L123 HydrophobicContact CB-CD1 4.43Å; L116-L123 HydrophobicContact CD1-CD1 4.21Å; L116-L123 HydrophobicContact CD2-CD1 4.04Å; L116-L123 HydrophobicContact CG-CD1 4.48Å; L116-V130 HydrophobicContact CD1-CG1 3.79Å; L116-C133 HydrophobicContact CD1-CB 4.16Å; L116-C133 WeakPolarHBondContact CD1-SG 3.22Å
117S74.9Confident74.2Confident61 Ų6149 Ų4943%0.42728%0.282SS..THydrogen-bonded Turntrans-57.5-32.9-168.864.20000113.6D115D115-S117 WeakPolarHBondContact OD1-CB 3.43Å; D115-S117 PolarHBondContact OD1-N 2.86Å; D115-S117 PolarHBondContact OD1-OG 2.7Å
118S74.4Confident72.4Confident51 Ų5153 Ų5336%0.35730%0.299SS..THydrogen-bonded Turntrans-83.2-19.2-177.268.10000114.7K110 L116K110-S118 WeakPolarHBondContact O-CB 3.45Å; K110-S118 PolarHBondContact O-OG 2.93Å; L116-S118 PolarHBondContact O-N 3.11Å; L116-S118 VanDerWaalsContact O-N 3.1Å
119I75.3Confident70.8Confident0 Ų050 Ų500%029%0.291CS..THydrogen-bonded Turntrans-115.8-0.4-178-54.6-176.1000110.7L79 L83 L109 A111 L116 D121 L122 L123L79-I119 HydrophobicContact CD1-CG2 4.02Å; L83-I119 HydrophobicContact CD1-CD1 4.18Å; L109-I119 HydrophobicContact CD1-CD1 3.52Å; L109-I119 HydrophobicContact CD1-CG1 3.48Å; L109-I119 VanDerWaalsContact CD1-CG1 3.48Å; A111-I119 HydrophobicContact CB-CD1 3.24Å; A111-I119 HydrophobicContact CB-CG1 3.75Å; L116-I119 PolarHBondContact O-N 3.17Å; L116-I119 VanDerWaalsContact O-N 3.1Å; I119-D121 PolarHBondContact O-N 3Å; I119-D121 VanDerWaalsContact O-N 3.11Å; I119-L122 HydrophobicContact CG2-CB 3.7Å; I119-L122 HydrophobicContact CG2-CD1 3.93Å; I119-L122 HydrophobicContact CG2-CG 4.39Å; I119-L122 CarbonylContact O-C 3.52Å; I119-L122 WeakPolarHBondContact O-CA 3.49Å; I119-L122 WeakPolarHBondContact O-CB 3.25Å; I119-L122 PolarHBondContact O-N 3.11Å; I119-L123 HydrophobicContact CB-CD1 4.48Å; I119-L123 HydrophobicContact CB-CG 4.41Å; I119-L123 HydrophobicContact CG2-CD1 4.28Å; I119-L123 HydrophobicContact CG2-CD2 3.94Å; I119-L123 HydrophobicContact CG2-CG 3.78Å; I119-L123 WeakPolarHBondContact O-CG 3.4Å; I119-L123 PolarHBondContact O-N 3.32Å
120E70.4Confident69.2Low21 Ų2149.3 Ų49.310%0.09829%0.288CS..Hα-helixtrans-47.3-45.1-179.4-169.3178.1-15800112.7L116 L122 L123 T124 R394 K398L116-E120 PolarHBondContact O-N 3.35Å; E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 PolarHBondContact O-N 3.44Å; E120-L123 PolarHBondContact O-N 2.88Å; E120-T124 HydrophobicContact CG-CG2 4.27Å; E120-T124 WeakPolarHBondContact O-CB 3.37Å; E120-T124 WeakPolarHBondContact O-CG2 3.36Å; E120-T124 PolarHBondContact O-N 3.43Å; E120-T124 PolarHBondContact O-OG1 2.88Å; E120-R394 IonicContact OE1-NH1 3.79Å; E120-R394 PolarHBondContact OE1-NH1 3.37Å; E120-K398 IonicContact OE2-NZ 2.92Å; E120-K398 PolarHBondContact OE2-NZ 2.54Å
121D67.7Low67.7Low119 Ų11946.7 Ų46.764%0.63628%0.277SS*.Hα-helixtrans-67.2-27.9179-60.9-26.1000113.2I119 T124I119-D121 PolarHBondContact O-N 3Å; I119-D121 VanDerWaalsContact O-N 3.11Å; D121-T124 PolarHBondContact O-OG1 3.28Å
122L70.3Confident66.2Low63 Ų6347.5 Ų47.533%0.3328%0.284SS..Hα-helixtrans-82.8-28.4176.1-65.4170.4000111.9T76 L79 I119 E120T76-L122 VanDerWaalsContact CB-O 3.24Å; T76-L122 WeakPolarHBondContact CB-O 3.46Å; T76-L122 HydrophobicContact CG2-CB 3.92Å; T76-L122 HydrophobicContact CG2-CD2 4.16Å; T76-L122 WeakPolarHBondContact CG2-O 3.44Å; T76-L122 PolarHBondContact OG1-O 3.48Å; L79-L122 HydrophobicContact CD1-CD1 4.49Å; I119-L122 HydrophobicContact CG2-CB 3.7Å; I119-L122 HydrophobicContact CG2-CD1 3.93Å; I119-L122 HydrophobicContact CG2-CG 4.39Å; I119-L122 CarbonylContact O-C 3.52Å; I119-L122 WeakPolarHBondContact O-CA 3.49Å; I119-L122 WeakPolarHBondContact O-CB 3.25Å; I119-L122 PolarHBondContact O-N 3.11Å; E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 PolarHBondContact O-N 3.44Å
123L67.4Low65.1Low2 Ų247.4 Ų47.41%0.0128%0.284CS..Hα-helixtrans-89.7-12.2-179.7-57.1177.4000114L79 R80 L83 L116 I119 E120 V130L79-L123 HydrophobicContact CB-CD2 4.38Å; R80-L123 HydrophobicContact CG-CD2 3.51Å; R80-L123 PolarHBondContact NE-O 2.93Å; R80-L123 PolarHBondContact NH2-O 3.39Å; L83-L123 HydrophobicContact CD1-CD1 4.45Å; L116-L123 HydrophobicContact CB-CD1 4.43Å; L116-L123 HydrophobicContact CD1-CD1 4.21Å; L116-L123 HydrophobicContact CD2-CD1 4.04Å; L116-L123 HydrophobicContact CG-CD1 4.48Å; I119-L123 HydrophobicContact CB-CD1 4.48Å; I119-L123 HydrophobicContact CB-CG 4.41Å; I119-L123 HydrophobicContact CG2-CD1 4.28Å; I119-L123 HydrophobicContact CG2-CD2 3.94Å; I119-L123 HydrophobicContact CG2-CG 3.78Å; I119-L123 WeakPolarHBondContact O-CG 3.4Å; I119-L123 PolarHBondContact O-N 3.32Å; E120-L123 PolarHBondContact O-N 2.88Å; L123-V130 HydrophobicContact CB-CG2 4.19Å
124T58.9Low64.8Low58 Ų5847.5 Ų47.536%0.35629%0.285SS..THydrogen-bonded Turntrans-89.4-5.6-175.441.90000114.4E120 D121 T126E120-T124 HydrophobicContact CG-CG2 4.27Å; E120-T124 WeakPolarHBondContact O-CB 3.37Å; E120-T124 WeakPolarHBondContact O-CG2 3.36Å; E120-T124 PolarHBondContact O-N 3.43Å; E120-T124 PolarHBondContact O-OG1 2.88Å; D121-T124 PolarHBondContact O-OG1 3.28Å; T124-T126 PolarHBondContact O-N 2.96Å
125S52.3Low65.2Low89 Ų8947.5 Ų47.562%0.62228%0.284SS*.THydrogen-bonded Turntrans-66.6-15.3-178.358.50000115.2R80R80-S125 PolarHBondContact NH2-OG 3.47Å
126T45.7Very low65.7Low58 Ų5846.2 Ų46.236%0.35628%0.277SS..SBendtrans-117.2136.2-173.5-34.60000109.5R80 T124 E128R80-T126 PolarHBondContact NH1-OG1 3.3Å; R80-T126 VanDerWaalsContact NH1-OG1 3.11Å; R80-T126 PolarHBondContact NH2-OG1 3.29Å; T124-T126 PolarHBondContact O-N 2.96Å; T126-E128 PolarHBondContact O-N 2.82Å
127S42.9Very low66.4Low134 Ų13445.3 Ų45.394%0.93727%0.272SS*.SBendtrans-620.2-172.7-53.30000116.1S129S127-S129 PolarHBondContact O-N 2.72Å
128E48.6Very low67.3Low153 Ų15342.4 Ų42.472%0.71525%0.252SS*.SBendtrans-77.7122173.8-69.8-178.5174.700109.3T126 V130T126-E128 PolarHBondContact O-N 2.82Å; E128-V130 PolarHBondContact O-N 3.45Å
129S51.8Low68.1Low39 Ų3941.2 Ų41.227%0.27324%0.242SC..  trans-58.6100.7174.7530000109.1S127 E131S127-S129 PolarHBondContact O-N 2.72Å; S129-E131 PolarHBondContact O-N 3.05Å
130V53.1Low68.7Low14 Ų1442.2 Ų42.29%0.08525%0.247CC..  trans-52.3107.7160.2-174.50000106.4L84 L116 L123 E128 R391L84-V130 HydrophobicContact CD1-CG1 4.4Å; L84-V130 HydrophobicContact CD2-CG1 4.4Å; L116-V130 HydrophobicContact CD1-CG1 3.79Å; L123-V130 HydrophobicContact CB-CG2 4.19Å; E128-V130 PolarHBondContact O-N 3.45Å; V130-R391 VanDerWaalsContact N-NH2 3.16Å; V130-R391 PolarHBondContact O-NH2 3.31Å
131E57Low69.4Low58 Ų5844.7 Ų44.727%0.27126%0.257SS..PPolyproline II helixtrans-66.1140.6-179.2-56.8-179111.100108.9S129 C133 K183 R185S129-E131 PolarHBondContact O-N 3.05Å; E131-C133 PolarHBondContact O-N 2.86Å; E131-C133 VanDerWaalsContact O-N 3.16Å; E131-C133 PolarHBondContact O-SG 2.93Å; E131-K183 VanDerWaalsContact CB-NZ 3.33Å; E131-K183 IonicContact OE1-NZ 3.08Å; E131-K183 PolarHBondContact OE1-NZ 3.39Å; E131-K183 WeakPolarHBondContact OE2-CE 3.22Å; E131-K183 IonicContact OE2-NZ 2.85Å; E131-K183 PolarHBondContact OE2-NZ 3.47Å; E131-R185 IonicContact OE2-NH2 3.68Å; E131-R185 PolarHBondContact OE2-NH2 3.47Å
132A57.4Low70Confident23 Ų2343.3 Ų43.319%0.1925%0.247CC..PPolyproline II helixtrans-49123.7177.900000110.4E157A132-E157 WeakPolarHBondContact CA-OE2 3.28Å; A132-E157 HydrophobicContact CB-CB 4.27Å; A132-E157 WeakPolarHBondContact CB-OE2 3.37Å
133C66.4Low70.1Confident5 Ų544.7 Ų44.73%0.03425%0.254CS..PPolyproline II helixtrans-100.5122.3-179.4-68.50000108.5P113 L116 E131P113-C133 WeakPolarHBondContact O-CB 3.42Å; L116-C133 HydrophobicContact CD1-CB 4.16Å; L116-C133 WeakPolarHBondContact CD1-SG 3.22Å; E131-C133 PolarHBondContact O-N 2.86Å; E131-C133 VanDerWaalsContact O-N 3.16Å; E131-C133 PolarHBondContact O-SG 2.93Å
134G77.2Confident70Confident2 Ų252.1 Ų52.12%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-105.3139.1176.900000112.1F153 R185G134-F153 VanDerWaalsContact CA-CE2 3.4Å; G134-R185 PolarHBondContact O-N 2.99Å
135L92.2Very high70.4Confident1 Ų157.8 Ų57.81%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-103.6124.4172.5178.466.3000108.5F153 C154 E186 L188 I276 F279 L280L135-F153 WeakPolarHBondContact O-CA 3.44Å; L135-C154 PolarHBondContact N-O 3.11Å; L135-C154 VanDerWaalsContact N-O 3.16Å; L135-C154 PolarHBondContact O-N 3.46Å; L135-E186 HydrophobicContact CD1-CB 3.86Å; L135-E186 HydrophobicContact CD1-CG 3.81Å; L135-E186 WeakPolarHBondContact CD1-O 3.4Å; L135-L188 HydrophobicContact CD1-CD2 4.02Å; L135-L188 HydrophobicContact CD1-CG 4.01Å; L135-L188 HydrophobicContact CD2-CD1 4.31Å; L135-L188 HydrophobicContact CD2-CG 4.49Å; L135-L188 HydrophobicContact CG-CG 4.41Å; L135-I276 HydrophobicContact CD2-CG2 3.99Å; L135-F279 HydrophobicContact CD1-CE1 4.43Å; L135-F279 HydrophobicContact CD2-CD1 3.5Å; L135-F279 HydrophobicContact CD2-CE1 3.94Å; L135-F279 HydrophobicContact CD2-CG 4.45Å; L135-L280 HydrophobicContact CD2-CD1 3.97Å; L135-L280 HydrophobicContact CD2-CD2 3.71Å; L135-L280 HydrophobicContact CD2-CG 3.66Å
136S94.5Very high71.4Confident0 Ų059.1 Ų59.10%031%0.313CS..EExtended strand (participates in β ladder)trans-102.6160.5171.7-66.50000111.5A152 F153 T184 E186 C187 L188S136-A152 CarbonylContact C-O 3.4Å; S136-A152 WeakPolarHBondContact CA-O 3.23Å; S136-F153 WeakPolarHBondContact OG-CD2 3.26Å; S136-T184 VanDerWaalsContact OG-CG2 3.28Å; S136-T184 WeakPolarHBondContact OG-CG2 3.45Å; S136-T184 PolarHBondContact OG-OG1 2.99Å; S136-E186 PolarHBondContact N-O 3.38Å; S136-C187 CarbonylContact O-C 3.58Å; S136-C187 VanDerWaalsContact O-CA 3.32Å; S136-C187 WeakPolarHBondContact O-CA 3.39Å; S136-L188 PolarHBondContact O-N 3.41Å
137A95Very high73.2Confident0 Ų056.4 Ų56.40%030%0.297CS..EExtended strand (participates in β ladder)trans-132.1133.8162.200000108.4L151 A152 L188 F234 C272 I276A137-L151 WeakPolarHBondContact O-CA 3.46Å; A137-A152 PolarHBondContact N-O 3.47Å; A137-A152 PolarHBondContact O-N 2.87Å; A137-L188 WeakPolarHBondContact CA-O 3.21Å; A137-L188 HydrophobicContact CB-CB 3.94Å; A137-L188 HydrophobicContact CB-CD1 4.46Å; A137-F234 HydrophobicContact CB-CE1 4.09Å; A137-F234 HydrophobicContact CB-CZ 4.43Å; A137-C272 HydrophobicContact CB-CB 3.91Å; A137-C272 VanDerWaalsContact CB-O 3.26Å; A137-C272 WeakPolarHBondContact CB-O 3.41Å; A137-I276 HydrophobicContact CB-CD1 3.85Å; A137-I276 HydrophobicContact CB-CG1 3.56Å
138V93.8Very high75.4Confident1 Ų151.1 Ų51.11%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-125.5134.7-178174.20000109.4I140 V149 C150 L151 L175 C187 L188 P190V138-I140 HydrophobicContact CG1-CD1 4.38Å; V138-I140 HydrophobicContact CG1-CG1 3.91Å; V138-V149 HydrophobicContact CG1-CG1 4.05Å; V138-C150 WeakPolarHBondContact CA-O 3.34Å; V138-L151 HydrophobicContact CG2-CD1 3.45Å; V138-L151 VanDerWaalsContact CG2-CD1 3.45Å; V138-L175 HydrophobicContact CG1-CD1 4.16Å; V138-L175 HydrophobicContact CG1-CD2 4.34Å; V138-L175 HydrophobicContact CG2-CD1 3.82Å; V138-C187 VanDerWaalsContact CG2-SG 3.54Å; V138-L188 PolarHBondContact N-O 3.13Å; V138-P190 VanDerWaalsContact O-CD 3.29Å; V138-P190 WeakPolarHBondContact O-CD 3.3Å
139N91.3Very high77.5Confident26 Ų2643.9 Ų43.914%0.13922%0.223CC..EExtended strand (participates in β ladder)trans-126.7139.3167.2-169.716.6000109C150 F234 C272N139-C150 HydrophobicContact CB-CB 4.4Å; N139-C150 PolarHBondContact N-O 3.49Å; N139-C150 PolarHBondContact O-N 2.86Å; N139-F234 HydrophobicContact CB-CD1 4.12Å; N139-C272 VanDerWaalsContact CB-SG 3.54Å
140I89.2Confident79.5Confident21 Ų2142 Ų4211%0.10821%0.21CC..EExtended strand (participates in β ladder)trans-120127-175.4-58.1-179.9000107.8V138 I147 L172 L175 L193 I211 V215V138-I140 HydrophobicContact CG1-CD1 4.38Å; V138-I140 HydrophobicContact CG1-CG1 3.91Å; I140-I147 HydrophobicContact CG2-CG2 3.31Å; I140-L172 HydrophobicContact CD1-CD1 3.92Å; I140-L172 HydrophobicContact CD1-CD2 4.33Å; I140-L175 HydrophobicContact CD1-CD2 4.44Å; I140-L193 HydrophobicContact CB-CD1 4.45Å; I140-L193 HydrophobicContact CD1-CD2 4.31Å; I140-I211 HydrophobicContact CD1-CG2 4.45Å; I140-I211 HydrophobicContact CG2-CG2 4.26Å; I140-V215 HydrophobicContact CD1-CG2 3.39Å
141K85.3Confident81.4Confident72 Ų7241.4 Ų41.431%0.31321%0.206SC..EExtended strand (participates in β ladder)trans-122.4144.4176.1-62.3-175-176.5-177.80109.3H148 D268K141-H148 HydrophobicContact CB-CB 4.49Å; K141-H148 PolarHBondContact N-O 3.25Å; K141-H148 PolarHBondContact O-N 3.26Å; K141-D268 IonicContact NZ-OD1 2.92Å; K141-D268 PolarHBondContact NZ-OD1 3.43Å; K141-D268 IonicContact NZ-OD2 2.78Å; K141-D268 PolarHBondContact NZ-OD2 3.11Å
142Q79.4Confident83.2Confident90 Ų9038.7 Ų38.742%0.42119%0.194SC..EExtended strand (participates in β ladder)trans-95.7125.3169.9-172-175.6-8.700109.1L207Q142-L207 HydrophobicContact CG-CD2 4.3Å
143L73Confident85Confident92 Ų9238.3 Ų38.348%0.48219%0.188SC..EExtended strand (participates in β ladder)trans-132114.5177.1-75.8161.9000107.9E145 Q146 H148L143-E145 PolarHBondContact O-N 3.04Å; L143-Q146 PolarHBondContact N-O 2.88Å; L143-Q146 PolarHBondContact O-N 3.29Å; L143-Q146 VanDerWaalsContact O-O 3.1Å; L143-H148 HydrophobicContact CD1-CB 3.82Å
144N64.3Low86.2Confident159 Ų15938.1 Ų38.185%0.8519%0.187SC*.THydrogen-bonded Turntrans47.955.4175.3-58.9-19.9000114Q146N144-Q146 PolarHBondContact O-N 2.95Å
145E67.7Low86.6Confident176 Ų17639 Ų3982%0.82219%0.191SC*.THydrogen-bonded Turntrans67.6-8.8-178.5-52.9-175.4164.200116.4L143L143-E145 PolarHBondContact O-N 3.04Å
146Q72.9Confident86.1Confident117 Ų11740.3 Ų40.355%0.54720%0.199SC..EExtended strand (participates in β ladder)trans-97.9149.8173.7-61.2-174.5-21.600110.8L143 N144 M167L143-Q146 PolarHBondContact N-O 2.88Å; L143-Q146 PolarHBondContact O-N 3.29Å; L143-Q146 VanDerWaalsContact O-O 3.1Å; N144-Q146 PolarHBondContact O-N 2.95Å; Q146-M167 HydrophobicContact CB-CE 3.2Å; Q146-M167 HydrophobicContact CG-CE 4.27Å
147I84.9Confident85.2Confident2 Ų241.1 Ų41.11%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-94.3119.6178.6-60-174.1000108.2I140 V149 M167 D168 V170 L172 I211I140-I147 HydrophobicContact CG2-CG2 3.31Å; I147-V149 HydrophobicContact CG2-CG2 4.12Å; I147-M167 CarbonylContact O-C 2.88Å; I147-M167 WeakPolarHBondContact O-CA 3.31Å; I147-D168 PolarHBondContact N-O 3.43Å; I147-D168 PolarHBondContact O-N 3.5Å; I147-V170 HydrophobicContact CD1-CB 4.44Å; I147-V170 HydrophobicContact CD1-CG2 4.36Å; I147-L172 HydrophobicContact CD1-CD2 4.44Å; I147-L172 HydrophobicContact CG2-CD2 3.93Å; I147-I211 HydrophobicContact CD1-CD1 3.64Å; I147-I211 HydrophobicContact CD1-CG1 3.61Å; I147-I211 HydrophobicContact CG1-CD1 4.22Å
148H89.5Confident84.3Confident23 Ų2343.2 Ų43.211%0.10622%0.217CC..EExtended strand (participates in β ladder)trans-97.1114.5174.9-173.2-117.9000109.4K141 L143 C150 E165 M167K141-H148 HydrophobicContact CB-CB 4.49Å; K141-H148 PolarHBondContact N-O 3.25Å; K141-H148 PolarHBondContact O-N 3.26Å; L143-H148 HydrophobicContact CD1-CB 3.82Å; H148-C150 PolarHBondContact ND1-SG 3.48Å; H148-E165 IonicContact CE1-OE2 3.58Å; H148-E165 PolarHBondContact CE1-OE2 3.12Å; H148-E165 IonicContact NE2-OE2 2.62Å; H148-M167 HydrophobicContact CB-CE 4.3Å; H148-M167 HydrophobicContact CB-SD 4.17Å; H148-M167 PolarHBondContact CD2-SD 3.46Å
149V91.6Very high83.7Confident0 Ų044.1 Ų44.10%022%0.221CC..EExtended strand (participates in β ladder)trans-100.2121.8-179.9-1790000108.7V138 I147 E165 F166 D168 L172 L175V138-V149 HydrophobicContact CG1-CG1 4.05Å; I147-V149 HydrophobicContact CG2-CG2 4.12Å; V149-E165 WeakPolarHBondContact O-CA 3.36Å; V149-F166 HydrophobicContact CB-CD2 3.99Å; V149-F166 HydrophobicContact CB-CE2 3.58Å; V149-F166 HydrophobicContact CB-CZ 3.95Å; V149-F166 HydrophobicContact CG1-CE1 4.35Å; V149-F166 HydrophobicContact CG1-CE2 3.75Å; V149-F166 HydrophobicContact CG1-CZ 3.61Å; V149-F166 HydrophobicContact CG2-CD2 4.48Å; V149-F166 HydrophobicContact CG2-CE2 4.01Å; V149-F166 PolarHBondContact N-O 3.31Å; V149-F166 PolarHBondContact O-N 3Å; V149-F166 VanDerWaalsContact O-N 3.08Å; V149-D168 HydrophobicContact CG2-CB 3.86Å; V149-L172 HydrophobicContact CG2-CD2 3.99Å; V149-L175 HydrophobicContact CG1-CB 4.43Å; V149-L175 HydrophobicContact CG1-CD1 4.03Å
150C93.1Very high83.6Confident0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-104.8127.1175-51.20000108V138 N139 H148 D268V138-C150 WeakPolarHBondContact CA-O 3.34Å; N139-C150 HydrophobicContact CB-CB 4.4Å; N139-C150 PolarHBondContact N-O 3.49Å; N139-C150 PolarHBondContact O-N 2.86Å; H148-C150 PolarHBondContact ND1-SG 3.48Å; C150-D268 HydrophobicContact CB-CB 4.11Å; C150-D268 WeakPolarHBondContact SG-CB 3.47Å
151L94.3Very high83.7Confident2 Ų244.3 Ų44.31%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-130134.6-173.3176.771.5000110.3A137 V138 G164 F166 A178 L182 F297A137-L151 WeakPolarHBondContact O-CA 3.46Å; V138-L151 HydrophobicContact CG2-CD1 3.45Å; V138-L151 VanDerWaalsContact CG2-CD1 3.45Å; L151-G164 PolarHBondContact N-O 2.97Å; L151-G164 PolarHBondContact O-N 3.44Å; L151-G164 VanDerWaalsContact O-O 3.13Å; L151-F166 HydrophobicContact CB-CE1 4.43Å; L151-F166 HydrophobicContact CD2-CE1 4.23Å; L151-A178 HydrophobicContact CD2-CB 3.9Å; L151-L182 HydrophobicContact CD2-CD1 3.7Å; L151-L182 HydrophobicContact CG-CD1 4.49Å; L151-F297 HydrophobicContact CD2-CD1 3.99Å; L151-F297 HydrophobicContact CD2-CE1 4.16Å
152A94.6Very high84Confident0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-123.5151.5161.800000109.9S136 A137 L162 V163 C272 L273 I276S136-A152 CarbonylContact C-O 3.4Å; S136-A152 WeakPolarHBondContact CA-O 3.23Å; A137-A152 PolarHBondContact N-O 3.47Å; A137-A152 PolarHBondContact O-N 2.87Å; A152-L162 CarbonylContact C-O 3.56Å; A152-L162 VanDerWaalsContact CA-O 3.31Å; A152-L162 WeakPolarHBondContact CA-O 3.34Å; A152-V163 HydrophobicContact CB-CG1 4.46Å; A152-C272 HydrophobicContact CB-CB 3.69Å; A152-L273 HydrophobicContact CB-CB 3.79Å; A152-L273 HydrophobicContact CB-CD1 4.46Å; A152-I276 HydrophobicContact CB-CD1 3.8Å
153F94Very high84.7Confident16 Ų1637.6 Ų37.67%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-141.6137.6175.5169.5-87000110.1G134 L135 S136 D155 F161 L162 L182G134-F153 VanDerWaalsContact CA-CE2 3.4Å; L135-F153 WeakPolarHBondContact O-CA 3.44Å; S136-F153 WeakPolarHBondContact OG-CD2 3.26Å; F153-D155 HydrophobicContact CE1-CB 3.64Å; F153-D155 HydrophobicContact CZ-CB 4.11Å; F153-F161 WeakPolarHBondContact O-CA 3.38Å; F153-L162 HydrophobicContact CB-CB 4.12Å; F153-L162 HydrophobicContact CD1-CB 4.22Å; F153-L162 HydrophobicContact CD1-CD1 3.82Å; F153-L162 HydrophobicContact CD1-CG 4.19Å; F153-L162 HydrophobicContact CE1-CD1 4.29Å; F153-L162 PolarHBondContact N-O 2.92Å; F153-L162 PolarHBondContact O-N 3.36Å; F153-L182 HydrophobicContact CB-CD1 3.9Å; F153-L182 HydrophobicContact CD1-CD2 4.27Å; F153-L182 HydrophobicContact CD2-CB 3.93Å; F153-L182 HydrophobicContact CD2-CD1 4.14Å; F153-L182 HydrophobicContact CD2-CG 4.45Å; F153-L182 HydrophobicContact CE1-CD2 4.49Å; F153-L182 HydrophobicContact CE2-CB 3.88Å; F153-L182 VanDerWaalsContact CE2-O 3.31Å; F153-L182 WeakPolarHBondContact CE2-O 3.46Å; F153-L182 HydrophobicContact CG-CB 4.47Å; F153-L182 HydrophobicContact CG-CD1 4.1Å; F153-L182 HydrophobicContact CG-CD2 4.28Å; F153-L182 HydrophobicContact CZ-CB 4.44Å; F153-L182 WeakPolarHBondContact CZ-O 3.28Å
154C92Very high85.7Confident1 Ų133.2 Ų33.21%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-120.6118.2174.6175.80000108.5L135 F161 I276 L280L135-C154 PolarHBondContact N-O 3.11Å; L135-C154 VanDerWaalsContact N-O 3.16Å; L135-C154 PolarHBondContact O-N 3.46Å; C154-F161 HydrophobicContact CB-CD1 3.98Å; C154-F161 HydrophobicContact CB-CE1 4.06Å; C154-F161 VanDerWaalsContact SG-CE1 3.56Å; C154-I276 HydrophobicContact CB-CD1 4.42Å; C154-I276 HydrophobicContact CB-CG2 3.55Å; C154-L280 HydrophobicContact CB-CD1 4.43Å
155D86.9Confident87Confident20 Ų2028.3 Ų28.311%0.10714%0.14CC..EExtended strand (participates in β ladder)trans-98.2104.8160.9179.414.5000108.6F153 E157 S158 Q159 K160F153-D155 HydrophobicContact CE1-CB 3.64Å; F153-D155 HydrophobicContact CZ-CB 4.11Å; D155-E157 PolarHBondContact O-N 3.15Å; D155-E157 WeakPolarHBondContact OD1-CA 3.34Å; D155-E157 VanDerWaalsContact OD1-CB 3.3Å; D155-E157 WeakPolarHBondContact OD1-CB 3.4Å; D155-E157 PolarHBondContact OD1-N 2.92Å; D155-S158 WeakPolarHBondContact CB-OG 3.46Å; D155-S158 VanDerWaalsContact OD2-CB 3.23Å; D155-S158 WeakPolarHBondContact OD2-CB 3.41Å; D155-S158 PolarHBondContact OD2-N 3.36Å; D155-S158 VanDerWaalsContact OD2-N 3.16Å; D155-S158 PolarHBondContact OD2-OG 2.71Å; D155-Q159 WeakPolarHBondContact O-CA 3.39Å; D155-Q159 PolarHBondContact O-N 2.82Å; D155-K160 PolarHBondContact N-O 2.74Å; D155-K160 PolarHBondContact O-N 3.41Å
156T80.9Confident88.1Confident29 Ų2921.2 Ų21.218%0.17811%0.106CC..THydrogen-bonded Turntrans-63-28.9175.661.10000110.7L280 R394T156-L280 HydrophobicContact CG2-CD1 3.97Å; T156-R394 VanDerWaalsContact CB-NH2 3.28Å; T156-R394 PolarHBondContact O-NE 3.48Å; T156-R394 PolarHBondContact O-NH2 3.35Å; T156-R394 PolarHBondContact OG1-NH2 3.26Å
157E75.8Confident88.8Confident16 Ų1619.2 Ų19.28%0.07510%0.098CC..THydrogen-bonded Turntrans-71.1-52-174.5-82.3-173.9-156.500111.5A132 D155 R342 Q390 R394A132-E157 WeakPolarHBondContact CA-OE2 3.28Å; A132-E157 HydrophobicContact CB-CB 4.27Å; A132-E157 WeakPolarHBondContact CB-OE2 3.37Å; D155-E157 PolarHBondContact O-N 3.15Å; D155-E157 WeakPolarHBondContact OD1-CA 3.34Å; D155-E157 VanDerWaalsContact OD1-CB 3.3Å; D155-E157 WeakPolarHBondContact OD1-CB 3.4Å; D155-E157 PolarHBondContact OD1-N 2.92Å; E157-R342 IonicContact OE2-CZ 3.45Å; E157-R342 IonicContact OE2-NH1 2.69Å; E157-R342 PolarHBondContact OE2-NH1 2.91Å; E157-Q390 WeakPolarHBondContact O-CG 3.38Å; E157-Q390 PolarHBondContact O-NE2 3.16Å; E157-R394 VanDerWaalsContact CG-NH1 3.33Å
158S76.8Confident88.8Confident44 Ų4419.9 Ų19.931%0.30810%0.101SC..THydrogen-bonded Turntrans-78.5-9.7174.457.40000113.1D155 K160 Q390D155-S158 WeakPolarHBondContact CB-OG 3.46Å; D155-S158 VanDerWaalsContact OD2-CB 3.23Å; D155-S158 WeakPolarHBondContact OD2-CB 3.41Å; D155-S158 PolarHBondContact OD2-N 3.36Å; D155-S158 VanDerWaalsContact OD2-N 3.16Å; D155-S158 PolarHBondContact OD2-OG 2.71Å; S158-K160 WeakPolarHBondContact OG-CB 3.47Å; S158-Q390 VanDerWaalsContact CA-NE2 3.28Å
159Q81.1Confident88.3Confident20 Ų2020.7 Ų20.79%0.09311%0.11CC..THydrogen-bonded Turntrans56.155.9-171.3-59.6178-5.300110.2D155 A291 F292 T293D155-Q159 WeakPolarHBondContact O-CA 3.39Å; D155-Q159 PolarHBondContact O-N 2.82Å; Q159-A291 VanDerWaalsContact CB-O 3.31Å; Q159-A291 WeakPolarHBondContact CB-O 3.18Å; Q159-A291 PolarHBondContact OE1-O 2.99Å; Q159-F292 HydrophobicContact CB-CD1 4.02Å; Q159-F292 HydrophobicContact CB-CE1 4.18Å; Q159-F292 HydrophobicContact CB-CG 4.39Å; Q159-F292 CarbonylContact O-C 3.55Å; Q159-F292 WeakPolarHBondContact O-CA 3.31Å; Q159-T293 PolarHBondContact O-N 3.39Å
160K87.5Confident87.6Confident52 Ų5222.5 Ų22.523%0.22612%0.121CC..EExtended strand (participates in β ladder)trans-130.1131.6-175.3-176.4166.6168.4157.30111.1D155 S158 L162 E295D155-K160 PolarHBondContact N-O 2.74Å; D155-K160 PolarHBondContact O-N 3.41Å; S158-K160 WeakPolarHBondContact OG-CB 3.47Å; K160-L162 HydrophobicContact CD-CD2 4.5Å; K160-L162 VanDerWaalsContact CE-CD2 3.47Å; K160-L162 HydrophobicContact CG-CD2 4.35Å; K160-L162 HydrophobicContact CG-CG 4.39Å; K160-E295 WeakPolarHBondContact CE-OE1 3.31Å; K160-E295 WeakPolarHBondContact CE-OE2 3.26Å; K160-E295 IonicContact NZ-OE1 2.76Å; K160-E295 PolarHBondContact NZ-OE1 3.28Å; K160-E295 IonicContact NZ-OE2 3.91Å; K160-E295 PolarHBondContact NZ-OE2 3.03Å
161F92.2Very high86.8Confident0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-101.5134168.2-62.9-43.4000109.5F153 C154 L243 F246 L247 L273 L282 F292 T293 L294 E295F153-F161 WeakPolarHBondContact O-CA 3.38Å; C154-F161 HydrophobicContact CB-CD1 3.98Å; C154-F161 HydrophobicContact CB-CE1 4.06Å; C154-F161 VanDerWaalsContact SG-CE1 3.56Å; F161-L243 HydrophobicContact CD2-CD1 4.48Å; F161-L243 HydrophobicContact CE2-CD1 4.42Å; F161-F246 HydrophobicContact CE2-CB 3.94Å; F161-F246 HydrophobicContact CE2-CG 4.47Å; F161-L247 HydrophobicContact CD2-CD2 4.12Å; F161-L273 HydrophobicContact CB-CD1 4.24Å; F161-L273 HydrophobicContact CB-CD2 4.29Å; F161-L273 HydrophobicContact CD1-CD1 3.62Å; F161-L273 HydrophobicContact CD2-CD2 4.36Å; F161-L273 HydrophobicContact CE1-CD1 4.04Å; F161-L273 HydrophobicContact CG-CD1 3.91Å; F161-L273 HydrophobicContact CG-CD2 4.25Å; F161-L282 HydrophobicContact CE1-CD1 4.03Å; F161-L282 HydrophobicContact CZ-CD1 3.85Å; F161-F292 AromaticContact CD1-CD1 3.94Å; F161-F292 HydrophobicContact CD1-CD1 3.94Å; F161-F292 HydrophobicContact CD1-CE1 4.41Å; F161-F292 HydrophobicContact CD2-CB 3.58Å; F161-F292 HydrophobicContact CD2-CD1 4.18Å; F161-F292 AromaticContact CD2-CG 3.99Å; F161-F292 HydrophobicContact CD2-CG 3.99Å; F161-F292 AromaticContact CE1-CD1 3.58Å; F161-F292 HydrophobicContact CE1-CD1 3.58Å; F161-F292 AromaticContact CE1-CE1 3.77Å; F161-F292 HydrophobicContact CE1-CE1 3.77Å; F161-F292 HydrophobicContact CE1-CG 4.03Å; F161-F292 HydrophobicContact CE1-CZ 4.36Å; F161-F292 HydrophobicContact CE2-CB 3.39Å; F161-F292 AromaticContact CE2-CD1 3.85Å; F161-F292 HydrophobicContact CE2-CD1 3.85Å; F161-F292 AromaticContact CE2-CD2 3.9Å; F161-F292 HydrophobicContact CE2-CD2 3.9Å; F161-F292 AromaticContact CE2-CG 3.44Å; F161-F292 HydrophobicContact CE2-CG 3.44Å; F161-F292 VanDerWaalsContact CE2-CG 3.44Å; F161-F292 HydrophobicContact CG-CB 4.3Å; F161-F292 HydrophobicContact CG-CD1 4.23Å; F161-F292 HydrophobicContact CG-CG 4.49Å; F161-F292 HydrophobicContact CZ-CB 3.98Å; F161-F292 AromaticContact CZ-CD1 3.53Å; F161-F292 HydrophobicContact CZ-CD1 3.53Å; F161-F292 AromaticContact CZ-CD2 3.73Å; F161-F292 HydrophobicContact CZ-CD2 3.73Å; F161-F292 AromaticContact CZ-CE1 3.9Å; F161-F292 HydrophobicContact CZ-CE1 3.9Å; F161-F292 HydrophobicContact CZ-CE2 4.09Å; F161-F292 AromaticContact CZ-CG 3.46Å; F161-F292 HydrophobicContact CZ-CG 3.46Å; F161-F292 VanDerWaalsContact CZ-CG 3.46Å; F161-F292 HydrophobicContact CZ-CZ 4.18Å; F161-T293 PolarHBondContact N-O 3.4Å; F161-L294 HydrophobicContact CB-CD1 3.61Å; F161-L294 WeakPolarHBondContact O-CA 3.34Å; F161-E295 PolarHBondContact O-N 3.41Å
162L92.6Very high86.3Confident20 Ų2023.3 Ų23.311%0.10512%0.124CC..EExtended strand (participates in β ladder)trans-119.8132.4173-68.1-179.6000108.8A152 F153 K160 L182 E295 F297A152-L162 CarbonylContact C-O 3.56Å; A152-L162 VanDerWaalsContact CA-O 3.31Å; A152-L162 WeakPolarHBondContact CA-O 3.34Å; F153-L162 HydrophobicContact CB-CB 4.12Å; F153-L162 HydrophobicContact CD1-CB 4.22Å; F153-L162 HydrophobicContact CD1-CD1 3.82Å; F153-L162 HydrophobicContact CD1-CG 4.19Å; F153-L162 HydrophobicContact CE1-CD1 4.29Å; F153-L162 PolarHBondContact N-O 2.92Å; F153-L162 PolarHBondContact O-N 3.36Å; K160-L162 HydrophobicContact CD-CD2 4.5Å; K160-L162 VanDerWaalsContact CE-CD2 3.47Å; K160-L162 HydrophobicContact CG-CD2 4.35Å; K160-L162 HydrophobicContact CG-CG 4.39Å; L162-L182 HydrophobicContact CD1-CD2 3.47Å; L162-L182 VanDerWaalsContact CD1-CD2 3.47Å; L162-E295 WeakPolarHBondContact CA-O 2.78Å; L162-E295 HydrophobicContact CD2-CB 3.7Å; L162-F297 HydrophobicContact CB-CB 4.33Å
163V93.7Very high85.7Confident0 Ų023.9 Ų23.90%013%0.129CC..EExtended strand (participates in β ladder)trans-127.7137.3175.2-700000109.4A152 E263 L266 A269 L270 L273 L294 E295 I296 F297A152-V163 HydrophobicContact CB-CG1 4.46Å; V163-E263 HydrophobicContact CG2-CB 4.39Å; V163-L266 HydrophobicContact CG2-CD1 4.28Å; V163-A269 HydrophobicContact CB-CB 3.91Å; V163-A269 HydrophobicContact CG1-CB 4.4Å; V163-L270 HydrophobicContact CG1-CD2 4.27Å; V163-L273 HydrophobicContact CG1-CB 4.35Å; V163-L273 HydrophobicContact CG1-CD2 4.15Å; V163-L294 HydrophobicContact CG1-CD1 4Å; V163-L294 HydrophobicContact CG2-CD1 3.94Å; V163-L294 HydrophobicContact CG2-CG 4.44Å; V163-E295 PolarHBondContact N-O 3.49Å; V163-I296 CarbonylContact O-C 3.58Å; V163-I296 WeakPolarHBondContact O-CA 3.48Å; V163-F297 PolarHBondContact O-N 3.31Å
164G92.5Very high85.5Confident1 Ų124.8 Ų24.81%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-155.9149-178.800000111.9L151L151-G164 PolarHBondContact N-O 2.97Å; L151-G164 PolarHBondContact O-N 3.44Å; L151-G164 VanDerWaalsContact O-O 3.13Å
165E92.4Very high85.4Confident56 Ų5624.8 Ų24.826%0.26213%0.134SC..EExtended strand (participates in β ladder)trans-131.1135.6174.7-62.4-177.9-179.500107.4H148 V149 L266 D268 A269H148-E165 IonicContact CE1-OE2 3.58Å; H148-E165 PolarHBondContact CE1-OE2 3.12Å; H148-E165 IonicContact NE2-OE2 2.62Å; V149-E165 WeakPolarHBondContact O-CA 3.36Å; E165-L266 HydrophobicContact CB-CD2 4.25Å; E165-L266 HydrophobicContact CG-CB 4.34Å; E165-L266 HydrophobicContact CG-CD2 4.01Å; E165-L266 VanDerWaalsContact OE1-C 3.3Å; E165-L266 WeakPolarHBondContact OE1-CA 3.14Å; E165-D268 PolarHBondContact OE1-N 3.42Å; E165-A269 HydrophobicContact CG-CB 3.79Å; E165-A269 PolarHBondContact OE1-N 2.91Å
166F90.8Very high85.4Confident27 Ų2724 Ų2412%0.11813%0.13CC..EExtended strand (participates in β ladder)trans-150.2153.9176.152.3-95.1000111.3V149 L151 N174 L175 A178 L299V149-F166 HydrophobicContact CB-CD2 3.99Å; V149-F166 HydrophobicContact CB-CE2 3.58Å; V149-F166 HydrophobicContact CB-CZ 3.95Å; V149-F166 HydrophobicContact CG1-CE1 4.35Å; V149-F166 HydrophobicContact CG1-CE2 3.75Å; V149-F166 HydrophobicContact CG1-CZ 3.61Å; V149-F166 HydrophobicContact CG2-CD2 4.48Å; V149-F166 HydrophobicContact CG2-CE2 4.01Å; V149-F166 PolarHBondContact N-O 3.31Å; V149-F166 PolarHBondContact O-N 3Å; V149-F166 VanDerWaalsContact O-N 3.08Å; L151-F166 HydrophobicContact CB-CE1 4.43Å; L151-F166 HydrophobicContact CD2-CE1 4.23Å; F166-N174 HydrophobicContact CD2-CB 3.59Å; F166-N174 HydrophobicContact CE2-CB 3.6Å; F166-L175 HydrophobicContact CE2-CB 4.24Å; F166-L175 HydrophobicContact CZ-CB 4.29Å; F166-A178 HydrophobicContact CE1-CB 4.12Å; F166-A178 HydrophobicContact CZ-CB 4.05Å; F166-L299 HydrophobicContact CB-CD1 4.49Å; F166-L299 HydrophobicContact CD1-CD1 3.92Å; F166-L299 HydrophobicContact CD2-CD1 4.14Å; F166-L299 HydrophobicContact CE1-CD1 4.15Å; F166-L299 HydrophobicContact CE2-CD1 4.36Å; F166-L299 HydrophobicContact CG-CD1 3.92Å; F166-L299 HydrophobicContact CZ-CD1 4.37Å
167M87.9Confident85.8Confident75 Ų7523 Ų2337%0.36912%0.124SC..EExtended strand (participates in β ladder)trans-81.6143.6172-56.7-54.7-59.200109.8Q146 I147 H148 N174Q146-M167 HydrophobicContact CB-CE 3.2Å; Q146-M167 HydrophobicContact CG-CE 4.27Å; I147-M167 CarbonylContact O-C 2.88Å; I147-M167 WeakPolarHBondContact O-CA 3.31Å; H148-M167 HydrophobicContact CB-CE 4.3Å; H148-M167 HydrophobicContact CB-SD 4.17Å; H148-M167 PolarHBondContact CD2-SD 3.46Å; M167-N174 PolarHBondContact O-ND2 2.85Å
168D85.2Confident86.6Confident15 Ų1522.3 Ų22.38%0.0812%0.121CC..EExtended strand (participates in β ladder)trans-137.7162.8178-146-31.3000111I147 V149 L172 A173 N174 L175I147-D168 PolarHBondContact N-O 3.43Å; I147-D168 PolarHBondContact O-N 3.5Å; V149-D168 HydrophobicContact CG2-CB 3.86Å; D168-L172 HydrophobicContact CB-CD2 4.17Å; D168-L172 VanDerWaalsContact CG-CA 3.42Å; D168-L172 WeakPolarHBondContact OD1-CA 3.31Å; D168-L172 WeakPolarHBondContact OD2-CA 3.2Å; D168-A173 PolarHBondContact OD1-N 3.34Å; D168-A173 PolarHBondContact OD2-N 3.32Å; D168-N174 PolarHBondContact OD1-N 3.13Å; D168-N174 WeakPolarHBondContact OD2-CA 3.41Å; D168-N174 WeakPolarHBondContact OD2-CB 3.44Å; D168-N174 PolarHBondContact OD2-N 2.89Å; D168-L175 PolarHBondContact OD2-N 3.43Å
169S79.5Confident87.3Confident41 Ų4120.3 Ų20.329%0.28711%0.106SC..  trans-83.4172.2169.973.90000110.6H171 L172S169-H171 PolarHBondContact O-N 3.13Å; S169-H171 PolarHBondContact OG-N 3.03Å; S169-L172 PolarHBondContact O-N 3.05Å
170V76.4Confident87.6Confident38 Ų3820.2 Ų20.223%0.2311%0.107CC..THydrogen-bonded Turntrans-53.7-23.5172.7-174.70000113.2I147 L207 A210I147-V170 HydrophobicContact CD1-CB 4.44Å; I147-V170 HydrophobicContact CD1-CG2 4.36Å; V170-L207 HydrophobicContact CG1-CD1 4.48Å; V170-L207 HydrophobicContact CG2-CD1 4.02Å; V170-A210 HydrophobicContact CG1-CB 4.23Å
171H75.6Confident87.7Confident19 Ų1917.9 Ų17.99%0.08810%0.097CC..THydrogen-bonded Turntrans-88.1-6.4-179.8-60.2-43.4000115.1S169 A173 H214 S738 R742S169-H171 PolarHBondContact O-N 3.13Å; S169-H171 PolarHBondContact OG-N 3.03Å; H171-A173 PolarHBondContact O-N 3.15Å; H171-H214 AromaticContact CE1-NE2 3.58Å; H171-H214 AromaticContact ND1-CD2 3.35Å; H171-H214 PolarHBondContact ND1-CD2 2.92Å; H171-H214 AromaticContact ND1-CE1 3.96Å; H171-H214 AromaticContact ND1-NE2 2.96Å; H171-H214 PolarHBondContact ND1-NE2 2.89Å; H171-S738 PolarHBondContact NE2-OG 3.3Å; H171-R742 VanDerWaalsContact CD2-CZ 3.49Å; H171-R742 PolarHBondContact CD2-NH1 2.99Å; H171-R742 PolarHBondContact NE2-NE 2.67Å; H171-R742 PolarHBondContact NE2-NH1 3.1Å; H171-R742 PolarHBondContact NE2-NH2 2.72Å
172L84.3Confident87.6Confident0 Ų018.5 Ų18.50%010%0.1CC..  trans58.640.3174.6-60.2177.9000114.7I140 I147 V149 D168 S169 L175 E176 V215 V218I140-L172 HydrophobicContact CD1-CD1 3.92Å; I140-L172 HydrophobicContact CD1-CD2 4.33Å; I147-L172 HydrophobicContact CD1-CD2 4.44Å; I147-L172 HydrophobicContact CG2-CD2 3.93Å; V149-L172 HydrophobicContact CG2-CD2 3.99Å; D168-L172 HydrophobicContact CB-CD2 4.17Å; D168-L172 VanDerWaalsContact CG-CA 3.42Å; D168-L172 WeakPolarHBondContact OD1-CA 3.31Å; D168-L172 WeakPolarHBondContact OD2-CA 3.2Å; S169-L172 PolarHBondContact O-N 3.05Å; L172-L175 HydrophobicContact CB-CB 4.16Å; L172-L175 HydrophobicContact CB-CD2 4.29Å; L172-L175 HydrophobicContact CD1-CD2 4.14Å; L172-L175 PolarHBondContact O-N 3.35Å; L172-E176 PolarHBondContact O-N 3.29Å; L172-V215 HydrophobicContact CD1-CB 4.23Å; L172-V215 HydrophobicContact CD1-CG2 3.3Å; L172-V218 HydrophobicContact CB-CG2 4.01Å
173A82.3Confident87.3Confident11 Ų1119.2 Ų19.29%0.09110%0.103CC..Hα-helixtrans-71.2-34.8-175.300000112.7D168 H171 E176 T177D168-A173 PolarHBondContact OD1-N 3.34Å; D168-A173 PolarHBondContact OD2-N 3.32Å; H171-A173 PolarHBondContact O-N 3.15Å; A173-E176 PolarHBondContact O-N 3.1Å; A173-T177 PolarHBondContact O-N 3.2Å; A173-T177 PolarHBondContact O-OG1 3.46Å
174N88.2Confident87Confident36 Ų3619.6 Ų19.619%0.19311%0.105CC..Hα-helixtrans-71.3-36.5175.8-70.8-24.4000110.5F166 M167 D168 T177 A178 L299F166-N174 HydrophobicContact CD2-CB 3.59Å; F166-N174 HydrophobicContact CE2-CB 3.6Å; M167-N174 PolarHBondContact O-ND2 2.85Å; D168-N174 PolarHBondContact OD1-N 3.13Å; D168-N174 WeakPolarHBondContact OD2-CA 3.41Å; D168-N174 WeakPolarHBondContact OD2-CB 3.44Å; D168-N174 PolarHBondContact OD2-N 2.89Å; N174-T177 WeakPolarHBondContact O-CB 3.49Å; N174-T177 PolarHBondContact O-N 3.49Å; N174-A178 WeakPolarHBondContact O-CB 3.41Å; N174-A178 PolarHBondContact O-N 3.17Å; N174-L299 HydrophobicContact CB-CD1 3.7Å
175L90.7Very high86.8Confident0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-62.2-45.9171.7175.162.4000111.7V138 I140 V149 F166 D168 L172 T177 A178 L179 V218V138-L175 HydrophobicContact CG1-CD1 4.16Å; V138-L175 HydrophobicContact CG1-CD2 4.34Å; V138-L175 HydrophobicContact CG2-CD1 3.82Å; I140-L175 HydrophobicContact CD1-CD2 4.44Å; V149-L175 HydrophobicContact CG1-CB 4.43Å; V149-L175 HydrophobicContact CG1-CD1 4.03Å; F166-L175 HydrophobicContact CE2-CB 4.24Å; F166-L175 HydrophobicContact CZ-CB 4.29Å; D168-L175 PolarHBondContact OD2-N 3.43Å; L172-L175 HydrophobicContact CB-CB 4.16Å; L172-L175 HydrophobicContact CB-CD2 4.29Å; L172-L175 HydrophobicContact CD1-CD2 4.14Å; L172-L175 PolarHBondContact O-N 3.35Å; L175-T177 VanDerWaalsContact C-N 3.3Å; L175-T177 PolarHBondContact O-N 2.95Å; L175-A178 PolarHBondContact O-N 3.18Å; L175-L179 HydrophobicContact CD1-CD1 4.17Å; L175-L179 HydrophobicContact CD1-CG 4.09Å; L175-L179 HydrophobicContact CG-CD1 4.19Å; L175-L179 WeakPolarHBondContact O-CG 3.46Å; L175-L179 PolarHBondContact O-N 3.49Å; L175-V218 HydrophobicContact CD2-CG1 4.5Å; L175-V218 HydrophobicContact CG-CG1 4.38Å
176E87.7Confident86.8Confident5 Ų518.2 Ų18.22%0.02310%0.097CC..Hα-helixtrans-56.1-48175.2-173.6173.6166.100110.9L172 A173 A178 L179 V180 V218 R221 T222 S307L172-E176 PolarHBondContact O-N 3.29Å; A173-E176 PolarHBondContact O-N 3.1Å; E176-A178 PolarHBondContact O-N 2.64Å; E176-L179 PolarHBondContact O-N 3.02Å; E176-V180 WeakPolarHBondContact O-CG2 3.47Å; E176-V180 PolarHBondContact O-N 3.27Å; E176-V218 HydrophobicContact CB-CG1 3.96Å; E176-V218 HydrophobicContact CB-CG2 4.42Å; E176-V218 HydrophobicContact CG-CG1 4.4Å; E176-R221 IonicContact OE2-NH1 2.65Å; E176-T222 HydrophobicContact CG-CG2 3.8Å; E176-S307 WeakPolarHBondContact OE1-CB 3.44Å; E176-S307 PolarHBondContact OE1-N 2.91Å; E176-S307 PolarHBondContact OE1-OG 3.18Å
177T89.1Confident86.9Confident8 Ų816.9 Ų16.95%0.0499%0.091CC..Hα-helixtrans-58.9-45.3176.5-57.70000111.9A173 N174 L175 L179 V180 Q181 L299 R304A173-T177 PolarHBondContact O-N 3.2Å; A173-T177 PolarHBondContact O-OG1 3.46Å; N174-T177 WeakPolarHBondContact O-CB 3.49Å; N174-T177 PolarHBondContact O-N 3.49Å; L175-T177 VanDerWaalsContact C-N 3.3Å; L175-T177 PolarHBondContact O-N 2.95Å; T177-L179 PolarHBondContact O-N 2.59Å; T177-V180 PolarHBondContact O-N 3.46Å; T177-Q181 HydrophobicContact CG2-CG 4.31Å; T177-Q181 WeakPolarHBondContact O-CB 3.33Å; T177-Q181 WeakPolarHBondContact O-CG 3.3Å; T177-Q181 PolarHBondContact O-N 2.76Å; T177-L299 HydrophobicContact CG2-CD2 3.93Å; T177-R304 HydrophobicContact CG2-CB 3.88Å; T177-R304 HydrophobicContact CG2-CG 4.07Å
178A91.7Very high87.2Confident0 Ų013.3 Ų13.30%07%0.074CC..Hα-helixtrans-61.3-45.3-179.900000112L151 F166 N174 L175 E176 V180 Q181 L182 F297 L299L151-A178 HydrophobicContact CD2-CB 3.9Å; F166-A178 HydrophobicContact CE1-CB 4.12Å; F166-A178 HydrophobicContact CZ-CB 4.05Å; N174-A178 WeakPolarHBondContact O-CB 3.41Å; N174-A178 PolarHBondContact O-N 3.17Å; L175-A178 PolarHBondContact O-N 3.18Å; E176-A178 PolarHBondContact O-N 2.64Å; A178-V180 VanDerWaalsContact C-N 3.35Å; A178-V180 PolarHBondContact O-N 2.75Å; A178-Q181 PolarHBondContact O-N 2.82Å; A178-L182 VanDerWaalsContact O-CB 3.32Å; A178-L182 WeakPolarHBondContact O-CB 3.49Å; A178-L182 VanDerWaalsContact O-CG 3.29Å; A178-L182 WeakPolarHBondContact O-CG 3.3Å; A178-L182 PolarHBondContact O-N 3.12Å; A178-F297 HydrophobicContact CB-CE1 3.67Å; A178-F297 HydrophobicContact CB-CZ 4.04Å; A178-L299 HydrophobicContact CB-CD2 4.1Å
179L91.4Very high87.6Confident2 Ų212.6 Ų12.61%0.017%0.07CC..Hα-helixtrans-64-39.5178.4-66.9174000111.8L175 E176 T177 K183 T184 V218 F219 T222L175-L179 HydrophobicContact CD1-CD1 4.17Å; L175-L179 HydrophobicContact CD1-CG 4.09Å; L175-L179 HydrophobicContact CG-CD1 4.19Å; L175-L179 WeakPolarHBondContact O-CG 3.46Å; L175-L179 PolarHBondContact O-N 3.49Å; E176-L179 PolarHBondContact O-N 3.02Å; T177-L179 PolarHBondContact O-N 2.59Å; L179-K183 PolarHBondContact O-N 3.22Å; L179-T184 HydrophobicContact CD2-CG2 3.94Å; L179-T184 PolarHBondContact O-N 3.21Å; L179-V218 HydrophobicContact CD1-CG1 3.95Å; L179-F219 HydrophobicContact CD1-CD1 4.01Å; L179-F219 HydrophobicContact CD1-CE1 3.89Å; L179-T222 HydrophobicContact CB-CG2 4.22Å; L179-T222 HydrophobicContact CD1-CG2 4.49Å
180V88.5Confident88.1Confident19 Ų1911.2 Ų11.212%0.1156%0.06CC..Hα-helixtrans-64.4-50.3174.71730000110.5E176 T177 A178 L182 K183 T222 R349E176-V180 WeakPolarHBondContact O-CG2 3.47Å; E176-V180 PolarHBondContact O-N 3.27Å; T177-V180 PolarHBondContact O-N 3.46Å; A178-V180 VanDerWaalsContact C-N 3.35Å; A178-V180 PolarHBondContact O-N 2.75Å; V180-L182 PolarHBondContact O-N 2.83Å; V180-K183 PolarHBondContact O-N 2.84Å; V180-T222 HydrophobicContact CG2-CG2 4.09Å; V180-R349 WeakPolarHBondContact O-CD 3.3Å
181Q89.6Confident88.5Confident2 Ų212.1 Ų12.11%0.0097%0.065CC..Hα-helixtrans-59.9-45.5-179.1-75-1752.600112.4T177 A178 K183 F297 V303 Q350T177-Q181 HydrophobicContact CG2-CG 4.31Å; T177-Q181 WeakPolarHBondContact O-CB 3.33Å; T177-Q181 WeakPolarHBondContact O-CG 3.3Å; T177-Q181 PolarHBondContact O-N 2.76Å; A178-Q181 PolarHBondContact O-N 2.82Å; Q181-K183 VanDerWaalsContact C-N 3.26Å; Q181-K183 PolarHBondContact O-N 2.87Å; Q181-F297 HydrophobicContact CB-CZ 4.43Å; Q181-V303 PolarHBondContact NE2-O 3.32Å; Q181-V303 VanDerWaalsContact NE2-O 3.11Å; Q181-Q350 HydrophobicContact CB-CG 4.06Å; Q181-Q350 HydrophobicContact CG-CG 4.18Å
182L89.1Confident88.7Confident13 Ų1312.7 Ų12.77%0.0688%0.077CC..Hα-helixtrans-76.1-12.5-179.7-67.4176.2000113.7L151 F153 L162 A178 V180 T184 F297L151-L182 HydrophobicContact CD2-CD1 3.7Å; L151-L182 HydrophobicContact CG-CD1 4.49Å; F153-L182 HydrophobicContact CB-CD1 3.9Å; F153-L182 HydrophobicContact CD1-CD2 4.27Å; F153-L182 HydrophobicContact CD2-CB 3.93Å; F153-L182 HydrophobicContact CD2-CD1 4.14Å; F153-L182 HydrophobicContact CD2-CG 4.45Å; F153-L182 HydrophobicContact CE1-CD2 4.49Å; F153-L182 HydrophobicContact CE2-CB 3.88Å; F153-L182 VanDerWaalsContact CE2-O 3.31Å; F153-L182 WeakPolarHBondContact CE2-O 3.46Å; F153-L182 HydrophobicContact CG-CB 4.47Å; F153-L182 HydrophobicContact CG-CD1 4.1Å; F153-L182 HydrophobicContact CG-CD2 4.28Å; F153-L182 HydrophobicContact CZ-CB 4.44Å; F153-L182 WeakPolarHBondContact CZ-O 3.28Å; L162-L182 HydrophobicContact CD1-CD2 3.47Å; L162-L182 VanDerWaalsContact CD1-CD2 3.47Å; A178-L182 VanDerWaalsContact O-CB 3.32Å; A178-L182 WeakPolarHBondContact O-CB 3.49Å; A178-L182 VanDerWaalsContact O-CG 3.29Å; A178-L182 WeakPolarHBondContact O-CG 3.3Å; A178-L182 PolarHBondContact O-N 3.12Å; V180-L182 PolarHBondContact O-N 2.83Å; L182-T184 VanDerWaalsContact C-N 3.27Å; L182-T184 PolarHBondContact O-N 3.14Å; L182-F297 HydrophobicContact CD1-CD2 4.37Å; L182-F297 HydrophobicContact CD1-CE2 4.26Å; L182-F297 HydrophobicContact CD1-CZ 4.35Å; L182-F297 HydrophobicContact CD2-CD2 3.7Å; L182-F297 HydrophobicContact CD2-CE2 3.63Å; L182-F297 HydrophobicContact CD2-CZ 4.44Å; L182-F297 HydrophobicContact CG-CD2 4.2Å; L182-F297 HydrophobicContact CG-CE2 3.8Å; L182-F297 HydrophobicContact CG-CZ 4.12Å
183K86.5Confident88.6Confident35 Ų3514 Ų1415%0.1528%0.083CC..THydrogen-bonded Turntrans53.747-175.2-163.7-165-178.41570111.8E131 L179 V180 Q181 R185E131-K183 VanDerWaalsContact CB-NZ 3.33Å; E131-K183 IonicContact OE1-NZ 3.08Å; E131-K183 PolarHBondContact OE1-NZ 3.39Å; E131-K183 WeakPolarHBondContact OE2-CE 3.22Å; E131-K183 IonicContact OE2-NZ 2.85Å; E131-K183 PolarHBondContact OE2-NZ 3.47Å; L179-K183 PolarHBondContact O-N 3.22Å; V180-K183 PolarHBondContact O-N 2.84Å; Q181-K183 VanDerWaalsContact C-N 3.26Å; Q181-K183 PolarHBondContact O-N 2.87Å; K183-R185 PolarHBondContact O-N 3.05Å
184T88.6Confident88.3Confident8 Ų815.1 Ų15.15%0.0499%0.088CC..EExtended strand (participates in β ladder)trans-62.3135.7175.1-56.50000109S136 L179 L182 E186 C187 V224S136-T184 VanDerWaalsContact OG-CG2 3.28Å; S136-T184 WeakPolarHBondContact OG-CG2 3.45Å; S136-T184 PolarHBondContact OG-OG1 2.99Å; L179-T184 HydrophobicContact CD2-CG2 3.94Å; L179-T184 PolarHBondContact O-N 3.21Å; L182-T184 VanDerWaalsContact C-N 3.27Å; L182-T184 PolarHBondContact O-N 3.14Å; T184-E186 WeakPolarHBondContact CG2-O 3.35Å; T184-C187 HydrophobicContact CG2-CB 4.24Å; T184-V224 HydrophobicContact CG2-CG1 3.91Å; T184-V224 HydrophobicContact CG2-CG2 4.37Å; T184-V224 WeakPolarHBondContact O-CG2 3.23Å
185R87.5Confident87.3Confident28 Ų2816.2 Ų16.211%0.10610%0.098CC..EExtended strand (participates in β ladder)trans-111.2-23.8171.8-71.9-170.5172.7-171.8-0.5112.8L84 P113 E131 G134 K183 L225L84-R185 VanDerWaalsContact CD2-NH1 3.27Å; P113-R185 HydrophobicContact CB-CB 4.01Å; E131-R185 IonicContact OE2-NH2 3.68Å; E131-R185 PolarHBondContact OE2-NH2 3.47Å; G134-R185 PolarHBondContact O-N 2.99Å; K183-R185 PolarHBondContact O-N 3.05Å; R185-L225 PolarHBondContact O-N 3.11Å
186E91.7Very high85.7Confident0 Ų022.7 Ų22.70%013%0.128CC..EExtended strand (participates in β ladder)trans-137.9137.6174.5-175.2172.4-162.100108.8S112 G114 L135 S136 T184 L225 T227S112-E186 WeakPolarHBondContact CB-OE2 3.24Å; S112-E186 PolarHBondContact OG-OE2 3.23Å; G114-E186 WeakPolarHBondContact CA-OE2 3.39Å; G114-E186 PolarHBondContact N-OE2 3.34Å; L135-E186 HydrophobicContact CD1-CB 3.86Å; L135-E186 HydrophobicContact CD1-CG 3.81Å; L135-E186 WeakPolarHBondContact CD1-O 3.4Å; S136-E186 PolarHBondContact N-O 3.38Å; T184-E186 WeakPolarHBondContact CG2-O 3.35Å; E186-L225 CarbonylContact C-O 3.52Å; E186-L225 VanDerWaalsContact CA-O 3.28Å; E186-L225 WeakPolarHBondContact CA-O 3.31Å; E186-L225 HydrophobicContact CB-CB 4.49Å; E186-L225 HydrophobicContact CG-CB 4.43Å; E186-L225 HydrophobicContact CG-CD2 4.35Å; E186-T227 PolarHBondContact OE1-OG1 3.03Å
187C94.3Very high83.8Confident0 Ų024.3 Ų24.30%014%0.139CC..EExtended strand (participates in β ladder)trans-127124.3177.8-171.20000110.3S136 V138 T184 F219 V224 L225 P226 T227S136-C187 CarbonylContact O-C 3.58Å; S136-C187 VanDerWaalsContact O-CA 3.32Å; S136-C187 WeakPolarHBondContact O-CA 3.39Å; V138-C187 VanDerWaalsContact CG2-SG 3.54Å; T184-C187 HydrophobicContact CG2-CB 4.24Å; C187-F219 HydrophobicContact CB-CD1 4.38Å; C187-F219 HydrophobicContact CB-CE1 3.55Å; C187-F219 HydrophobicContact CB-CZ 3.98Å; C187-V224 HydrophobicContact CB-CG1 3.61Å; C187-L225 PolarHBondContact N-O 3.49Å; C187-P226 WeakPolarHBondContact O-CA 3.38Å; C187-T227 PolarHBondContact O-N 3.01Å
188L94Very high81.7Confident0 Ų030.2 Ų30.20%017%0.17CC..EExtended strand (participates in β ladder)trans-75.9134.9170.7-50.9-177.6000109.3L135 S136 A137 V138 T227 V229 F234 A275 I276 F279L135-L188 HydrophobicContact CD1-CD2 4.02Å; L135-L188 HydrophobicContact CD1-CG 4.01Å; L135-L188 HydrophobicContact CD2-CD1 4.31Å; L135-L188 HydrophobicContact CD2-CG 4.49Å; L135-L188 HydrophobicContact CG-CG 4.41Å; S136-L188 PolarHBondContact O-N 3.41Å; A137-L188 WeakPolarHBondContact CA-O 3.21Å; A137-L188 HydrophobicContact CB-CB 3.94Å; A137-L188 HydrophobicContact CB-CD1 4.46Å; V138-L188 PolarHBondContact N-O 3.13Å; L188-T227 WeakPolarHBondContact CA-O 3.4Å; L188-T227 HydrophobicContact CD2-CG2 3.87Å; L188-V229 HydrophobicContact CB-CG2 4.23Å; L188-V229 HydrophobicContact CD2-CG2 3.97Å; L188-V229 HydrophobicContact CG-CG2 4.47Å; L188-F234 HydrophobicContact CB-CZ 4.15Å; L188-A275 HydrophobicContact CD1-CB 4.39Å; L188-I276 HydrophobicContact CD1-CG1 4.13Å; L188-F279 HydrophobicContact CD1-CB 3.56Å; L188-F279 HydrophobicContact CD1-CD1 4.29Å; L188-F279 HydrophobicContact CD1-CD2 4.29Å; L188-F279 HydrophobicContact CD1-CG 3.8Å; L188-F279 HydrophobicContact CD2-CB 4.48Å; L188-F279 HydrophobicContact CD2-CD1 4.08Å; L188-F279 HydrophobicContact CD2-CD2 3.69Å; L188-F279 HydrophobicContact CD2-CE1 4.18Å; L188-F279 HydrophobicContact CD2-CE2 3.82Å; L188-F279 HydrophobicContact CD2-CG 3.82Å; L188-F279 HydrophobicContact CD2-CZ 4.05Å; L188-F279 HydrophobicContact CG-CG 4.45Å
189V92.7Very high79.7Confident0 Ų038.6 Ų38.60%021%0.214CC..EExtended strand (participates in β ladder)trans-135.1148.9175.5-66.30000110.9L193 L194 F219 T227 E228 V229 F234V189-L193 HydrophobicContact CB-CD2 3.97Å; V189-L193 HydrophobicContact CG1-CD2 4.05Å; V189-L194 HydrophobicContact CG2-CD1 3.86Å; V189-L194 HydrophobicContact CG2-CG 4.13Å; V189-F219 HydrophobicContact CG1-CE2 3.78Å; V189-F219 HydrophobicContact CG1-CZ 3.62Å; V189-T227 PolarHBondContact N-O 3.18Å; V189-E228 HydrophobicContact CG2-CG 4.12Å; V189-E228 CarbonylContact O-C 3.57Å; V189-E228 WeakPolarHBondContact O-CA 3.41Å; V189-V229 PolarHBondContact O-N 2.99Å; V189-F234 VanDerWaalsContact C-CE2 3.48Å
190P90.5Very high77.4Confident11 Ų1143.6 Ų43.67%0.07125%0.248CC..EExtended strand (participates in β ladder)trans-64.4137.6176.324-32.1000111.2V138 G192 L193 V229 K231 F234V138-P190 VanDerWaalsContact O-CD 3.29Å; V138-P190 WeakPolarHBondContact O-CD 3.3Å; P190-G192 PolarHBondContact O-N 2.78Å; P190-L193 HydrophobicContact CG-CB 4.33Å; P190-L193 HydrophobicContact CG-CD2 4.4Å; P190-L193 WeakPolarHBondContact O-CB 3.32Å; P190-L193 PolarHBondContact O-N 2.8Å; P190-L193 VanDerWaalsContact O-N 3.13Å; P190-V229 CarbonylContact C-O 3.56Å; P190-V229 WeakPolarHBondContact CA-O 3.32Å; P190-K231 HydrophobicContact CB-CG 4.23Å; P190-F234 HydrophobicContact CB-CD2 3.85Å; P190-F234 HydrophobicContact CB-CE2 4.08Å; P190-F234 HydrophobicContact CB-CG 4.32Å; P190-F234 VanDerWaalsContact N-CE2 3.35Å
191T85.3Confident75.2Confident57 Ų5750.3 Ų50.335%0.3528%0.276SS..THydrogen-bonded Turntrans-52.8129.2177.1-480000110.8V229 K230 K231T191-V229 PolarHBondContact N-O 2.88Å; T191-V229 VanDerWaalsContact OG1-C 3.27Å; T191-V229 PolarHBondContact OG1-O 2.83Å; T191-K230 WeakPolarHBondContact OG1-CA 3.33Å; T191-K231 WeakPolarHBondContact O-CE 3.48Å
192G79.2Confident73Confident31 Ų3155.7 Ų55.732%0.3231%0.314SS..THydrogen-bonded Turntrans98.9-5.1179.900000114.7P190 S195 E228P190-G192 PolarHBondContact O-N 2.78Å; G192-S195 VanDerWaalsContact CA-OG 3.27Å; G192-S195 WeakPolarHBondContact CA-OG 3.13Å; G192-S195 PolarHBondContact O-OG 3.33Å; G192-E228 PolarHBondContact N-OE1 3.07Å
193L80.9Confident71Confident28 Ų2862 Ų6215%0.14735%0.348CS..SBendtrans-74-32174.6-169.668.9000112I140 V189 P190 S212 V215I140-L193 HydrophobicContact CB-CD1 4.45Å; I140-L193 HydrophobicContact CD1-CD2 4.31Å; V189-L193 HydrophobicContact CB-CD2 3.97Å; V189-L193 HydrophobicContact CG1-CD2 4.05Å; P190-L193 HydrophobicContact CG-CB 4.33Å; P190-L193 HydrophobicContact CG-CD2 4.4Å; P190-L193 WeakPolarHBondContact O-CB 3.32Å; P190-L193 PolarHBondContact O-N 2.8Å; P190-L193 VanDerWaalsContact O-N 3.13Å; L193-S212 WeakPolarHBondContact O-CA 3.28Å; L193-S212 VanDerWaalsContact O-CB 3.26Å; L193-S212 WeakPolarHBondContact O-CB 3.1Å; L193-S212 PolarHBondContact O-OG 2.92Å; L193-V215 HydrophobicContact CD2-CG1 4.25Å
194L76.5Confident69.3Low34 Ų3462.8 Ų62.818%0.17836%0.356CS..SBendtrans-98-17.7-179.7-58.4172.4000113.1V189 H196 V215 F219 P226 E228V189-L194 HydrophobicContact CG2-CD1 3.86Å; V189-L194 HydrophobicContact CG2-CG 4.13Å; L194-H196 PolarHBondContact O-N 3.07Å; L194-V215 HydrophobicContact CD2-CG1 3.74Å; L194-F219 HydrophobicContact CD2-CD2 4.1Å; L194-F219 HydrophobicContact CD2-CE2 4.11Å; L194-P226 HydrophobicContact CD1-CB 3.66Å; L194-P226 HydrophobicContact CD1-CG 4.04Å; L194-E228 HydrophobicContact CD1-CG 3.95Å
195S66.7Low67.7Low59 Ų5965.6 Ų65.641%0.41337%0.373SS..SBendtrans-76.5124-179.163.60000109.5G192 P197G192-S195 VanDerWaalsContact CA-OG 3.27Å; G192-S195 WeakPolarHBondContact CA-OG 3.13Å; G192-S195 PolarHBondContact O-OG 3.33Å; S195-P197 VanDerWaalsContact O-CD 3.23Å; S195-P197 WeakPolarHBondContact O-CD 3.34Å; S195-P197 VanDerWaalsContact O-N 3.13Å
196H57.3Low66.2Low136 Ų13671.8 Ų71.863%0.6341%0.407SS*.PPolyproline II helixtrans-52.8120.1161.7-66.3-64.5000108.3L194 D198L194-H196 PolarHBondContact O-N 3.07Å; H196-D198 PolarHBondContact O-N 2.76Å
197P49.4Very low64.6Low40 Ų4074.3 Ų74.326%0.2642%0.42SS..PPolyproline II helixtrans-60.7124.2173.1-2134.2000108.1S195 I199 V204 N209S195-P197 VanDerWaalsContact O-CD 3.23Å; S195-P197 WeakPolarHBondContact O-CD 3.34Å; S195-P197 VanDerWaalsContact O-N 3.13Å; P197-I199 PolarHBondContact O-N 3.42Å; P197-I199 VanDerWaalsContact O-N 3.13Å; P197-V204 HydrophobicContact CB-CB 4.22Å; P197-V204 HydrophobicContact CB-CG1 3.69Å; P197-V204 HydrophobicContact CB-CG2 3.62Å; P197-V204 HydrophobicContact CG-CG1 3.6Å; P197-V204 HydrophobicContact CG-CG2 4.29Å; P197-N209 WeakPolarHBondContact CD-OD1 3.31Å; P197-N209 WeakPolarHBondContact CG-OD1 3.45Å
198D43.8Very low63.1Low131 Ų13177.6 Ų77.670%0.70144%0.438SS*.PPolyproline II helixtrans-52.2125.2168.9-78.3-39.9000108.1H196 S200 K201H196-D198 PolarHBondContact O-N 2.76Å; D198-S200 PolarHBondContact O-N 3.04Å; D198-K201 PolarHBondContact O-N 3.4Å
199I49.4Very low61.8Low177 Ų17780.1 Ų80.191%0.90845%0.452SS*.THydrogen-bonded Turntrans-52.3-11.9-176.4-63.1164.6000112.5P197P197-I199 PolarHBondContact O-N 3.42Å; P197-I199 VanDerWaalsContact O-N 3.13Å
200S44Very low60.7Low106 Ų10681.4 Ų81.474%0.74146%0.462SS*.THydrogen-bonded Turntrans-79.8-5.5179.959.70000116.7D198D198-S200 PolarHBondContact O-N 3.04Å
201K43.2Very low60Low160 Ų16081.4 Ų81.470%0.69646%0.461SS*.  trans-99.2113.3174-72.5-175.6-178.1175.10110.6D198 D203 V204D198-K201 PolarHBondContact O-N 3.4Å; K201-D203 PolarHBondContact O-N 3.46Å; K201-V204 HydrophobicContact CB-CG2 4.27Å
202S42.3Very low59.6Low116 Ų11679 Ų7981%0.81145%0.446SS*.THydrogen-bonded Turntrans-62.6-8.1-172.852.20000116.7
203D48.2Very low59.6Low145 Ų14582.5 Ų82.578%0.77546%0.455SS*.THydrogen-bonded Turntrans-108.810.3-171.2-63.2-10.8000113.6K201K201-D203 PolarHBondContact O-N 3.46Å
204V49.5Very low59.5Low52 Ų5282.5 Ų82.532%0.31545%0.454SS..  trans-88.1117.8179.4-179.50000109.3P197 K201 D208 N209P197-V204 HydrophobicContact CB-CB 4.22Å; P197-V204 HydrophobicContact CB-CG1 3.69Å; P197-V204 HydrophobicContact CB-CG2 3.62Å; P197-V204 HydrophobicContact CG-CG1 3.6Å; P197-V204 HydrophobicContact CG-CG2 4.29Å; K201-V204 HydrophobicContact CB-CG2 4.27Å; V204-D208 HydrophobicContact CG1-CB 4.22Å; V204-N209 WeakPolarHBondContact CG1-OD1 3.29Å
205T56.2Low59.9Low67 Ų6781 Ų8141%0.41145%0.446SS..  trans-74.5147.8177.167.60000110.4L207 D208 N209T205-L207 PolarHBondContact O-N 3.12Å; T205-D208 PolarHBondContact N-OD2 2.86Å; T205-D208 PolarHBondContact O-N 2.83Å; T205-D208 PolarHBondContact OG1-N 3.25Å; T205-D208 PolarHBondContact OG1-OD2 2.91Å; T205-N209 PolarHBondContact O-N 3.11Å
206L55.8Low60.7Low158 Ų15879.7 Ų79.783%0.82744%0.437SS*.Hα-helixtrans-52.7-27.9173-74.6169.7000112.3A210L206-A210 PolarHBondContact O-N 3.17Å
207L56.9Low61.8Low52 Ų5274.5 Ų74.527%0.27241%0.413SS..Hα-helixtrans-71.6-39.8178.9-16076.2000112.3Q142 V170 T205 N209 A210 I211Q142-L207 HydrophobicContact CG-CD2 4.3Å; V170-L207 HydrophobicContact CG1-CD1 4.48Å; V170-L207 HydrophobicContact CG2-CD1 4.02Å; T205-L207 PolarHBondContact O-N 3.12Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 2.69Å; L207-A210 PolarHBondContact O-N 3.43Å; L207-A210 VanDerWaalsContact O-N 3.16Å; L207-I211 HydrophobicContact CD2-CD1 4.38Å; L207-I211 HydrophobicContact CG-CD1 4.15Å; L207-I211 VanDerWaalsContact O-CG1 3.25Å; L207-I211 WeakPolarHBondContact O-CG1 3.37Å; L207-I211 PolarHBondContact O-N 3.08Å
208D64.3Low63.5Low69 Ų6972.6 Ų72.637%0.36940%0.401SS..Hα-helixtrans-60.6-39.4176.7-65.9-48.2000111.5V204 T205 I211 S212V204-D208 HydrophobicContact CG1-CB 4.22Å; T205-D208 PolarHBondContact N-OD2 2.86Å; T205-D208 PolarHBondContact O-N 2.83Å; T205-D208 PolarHBondContact OG1-N 3.25Å; T205-D208 PolarHBondContact OG1-OD2 2.91Å; D208-I211 PolarHBondContact O-N 2.99Å; D208-S212 WeakPolarHBondContact O-CB 3.43Å; D208-S212 PolarHBondContact O-N 2.9Å
209N65.8Low65.5Low54 Ų5466.6 Ų66.629%0.28937%0.369SS..Hα-helixtrans-63.4-46.4174.7-70.9-13.6000111.5P197 V204 T205 L207 I211 S212 E213P197-N209 WeakPolarHBondContact CD-OD1 3.31Å; P197-N209 WeakPolarHBondContact CG-OD1 3.45Å; V204-N209 WeakPolarHBondContact CG1-OD1 3.29Å; T205-N209 PolarHBondContact O-N 3.11Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 2.69Å; N209-I211 VanDerWaalsContact C-N 3.34Å; N209-I211 PolarHBondContact O-N 2.82Å; N209-S212 PolarHBondContact O-N 3.04Å; N209-E213 PolarHBondContact O-N 3.36Å; N209-E213 VanDerWaalsContact O-N 3.13Å
210A69.2Low67Low26 Ų2662.4 Ų62.422%0.21535%0.345CS..Hα-helixtrans-62-42.7178.500000111.3V170 L206 L207 E213 H214V170-A210 HydrophobicContact CG1-CB 4.23Å; L206-A210 PolarHBondContact O-N 3.17Å; L207-A210 PolarHBondContact O-N 3.43Å; L207-A210 VanDerWaalsContact O-N 3.16Å; A210-E213 PolarHBondContact O-N 3.38Å; A210-H214 PolarHBondContact O-N 3.29Å; A210-H214 PolarHBondContact O-ND1 3.11Å
211I75.6Confident68.5Low12 Ų1258.6 Ų58.66%0.06232%0.315CS..Hα-helixtrans-62.2-48.3178.3-66167.8000110.3I140 I147 L207 D208 N209 E213 H214 V215I140-I211 HydrophobicContact CD1-CG2 4.45Å; I140-I211 HydrophobicContact CG2-CG2 4.26Å; I147-I211 HydrophobicContact CD1-CD1 3.64Å; I147-I211 HydrophobicContact CD1-CG1 3.61Å; I147-I211 HydrophobicContact CG1-CD1 4.22Å; L207-I211 HydrophobicContact CD2-CD1 4.38Å; L207-I211 HydrophobicContact CG-CD1 4.15Å; L207-I211 VanDerWaalsContact O-CG1 3.25Å; L207-I211 WeakPolarHBondContact O-CG1 3.37Å; L207-I211 PolarHBondContact O-N 3.08Å; D208-I211 PolarHBondContact O-N 2.99Å; N209-I211 VanDerWaalsContact C-N 3.34Å; N209-I211 PolarHBondContact O-N 2.82Å; I211-E213 VanDerWaalsContact C-N 3.29Å; I211-E213 PolarHBondContact O-N 2.8Å; I211-H214 PolarHBondContact O-N 3.08Å; I211-H214 VanDerWaalsContact O-N 3.16Å; I211-V215 HydrophobicContact CG2-CG2 4.04Å; I211-V215 VanDerWaalsContact O-CG2 3.22Å; I211-V215 WeakPolarHBondContact O-CG2 3.27Å; I211-V215 PolarHBondContact O-N 2.94Å
212S78Confident70.3Confident5 Ų552.5 Ų52.54%0.03529%0.291CS..Hα-helixtrans-57.9-41.4-179.9-172.40000112.8L193 D208 N209 S216L193-S212 WeakPolarHBondContact O-CA 3.28Å; L193-S212 VanDerWaalsContact O-CB 3.26Å; L193-S212 WeakPolarHBondContact O-CB 3.1Å; L193-S212 PolarHBondContact O-OG 2.92Å; D208-S212 WeakPolarHBondContact O-CB 3.43Å; D208-S212 PolarHBondContact O-N 2.9Å; N209-S212 PolarHBondContact O-N 3.04Å; S212-S216 PolarHBondContact O-N 2.93Å; S212-S216 VanDerWaalsContact O-N 3.14Å; S212-S216 PolarHBondContact O-OG 3.18Å
213E77.8Confident72.1Confident106 Ų10648.4 Ų48.450%0.49527%0.267SS..Hα-helixtrans-65.1-46.4175.6-170.8178.2-178.600111.6N209 A210 I211 S216 L217N209-E213 PolarHBondContact O-N 3.36Å; N209-E213 VanDerWaalsContact O-N 3.13Å; A210-E213 PolarHBondContact O-N 3.38Å; I211-E213 VanDerWaalsContact C-N 3.29Å; I211-E213 PolarHBondContact O-N 2.8Å; E213-S216 PolarHBondContact O-N 3.12Å; E213-L217 HydrophobicContact CG-CD1 4.37Å; E213-L217 WeakPolarHBondContact O-CG 3.45Å; E213-L217 PolarHBondContact O-N 3.28Å
214H78.7Confident74Confident28 Ų2841.9 Ų41.913%0.1323%0.232CC..Hα-helixtrans-67.7-37179.3-73.781.3000112.7H171 A210 I211 S216 L217 V218H171-H214 AromaticContact CE1-NE2 3.58Å; H171-H214 AromaticContact ND1-CD2 3.35Å; H171-H214 PolarHBondContact ND1-CD2 2.92Å; H171-H214 AromaticContact ND1-CE1 3.96Å; H171-H214 AromaticContact ND1-NE2 2.96Å; H171-H214 PolarHBondContact ND1-NE2 2.89Å; A210-H214 PolarHBondContact O-N 3.29Å; A210-H214 PolarHBondContact O-ND1 3.11Å; I211-H214 PolarHBondContact O-N 3.08Å; I211-H214 VanDerWaalsContact O-N 3.16Å; H214-S216 VanDerWaalsContact C-N 3.31Å; H214-S216 PolarHBondContact O-N 3.47Å; H214-L217 PolarHBondContact O-N 3.19Å; H214-V218 WeakPolarHBondContact O-CG2 3.32Å; H214-V218 PolarHBondContact O-N 3.41Å
215V85.2Confident75.9Confident1 Ų139.9 Ų39.91%0.00622%0.22CC..Hα-helixtrans-58.4-47172.9172.10000110.3I140 L172 L193 L194 I211 L217 V218 F219I140-V215 HydrophobicContact CD1-CG2 3.39Å; L172-V215 HydrophobicContact CD1-CB 4.23Å; L172-V215 HydrophobicContact CD1-CG2 3.3Å; L193-V215 HydrophobicContact CD2-CG1 4.25Å; L194-V215 HydrophobicContact CD2-CG1 3.74Å; I211-V215 HydrophobicContact CG2-CG2 4.04Å; I211-V215 VanDerWaalsContact O-CG2 3.22Å; I211-V215 WeakPolarHBondContact O-CG2 3.27Å; I211-V215 PolarHBondContact O-N 2.94Å; V215-L217 VanDerWaalsContact C-N 3.35Å; V215-L217 PolarHBondContact O-N 3.17Å; V215-V218 PolarHBondContact O-N 2.97Å; V215-F219 HydrophobicContact CG1-CD2 3.76Å; V215-F219 HydrophobicContact CG1-CE2 3.3Å; V215-F219 HydrophobicContact CG1-CZ 4.14Å; V215-F219 VanDerWaalsContact O-CD2 3.27Å; V215-F219 WeakPolarHBondContact O-CD2 3.3Å; V215-F219 PolarHBondContact O-N 2.82Å; V215-F219 VanDerWaalsContact O-N 3.07Å
216S84Confident77.6Confident32 Ų3238.8 Ų38.822%0.22421%0.214CC..Hα-helixtrans-61.7-44.5178.4-58.40000111S212 E213 H214 V218 F219 E220S212-S216 PolarHBondContact O-N 2.93Å; S212-S216 VanDerWaalsContact O-N 3.14Å; S212-S216 PolarHBondContact O-OG 3.18Å; E213-S216 PolarHBondContact O-N 3.12Å; H214-S216 VanDerWaalsContact C-N 3.31Å; H214-S216 PolarHBondContact O-N 3.47Å; S216-V218 PolarHBondContact O-N 2.8Å; S216-F219 PolarHBondContact O-N 3.38Å; S216-E220 VanDerWaalsContact O-CB 3.25Å; S216-E220 WeakPolarHBondContact O-CB 3.41Å; S216-E220 WeakPolarHBondContact O-CG 3.48Å; S216-E220 PolarHBondContact O-N 3.03Å
217L80.5Confident79.2Confident27 Ų2731.6 Ų31.614%0.14118%0.176CC..Hα-helixtrans-61-40.5175.1-72170.6000112.9E213 H214 V215 E220 R221 L735E213-L217 HydrophobicContact CG-CD1 4.37Å; E213-L217 WeakPolarHBondContact O-CG 3.45Å; E213-L217 PolarHBondContact O-N 3.28Å; H214-L217 PolarHBondContact O-N 3.19Å; V215-L217 VanDerWaalsContact C-N 3.35Å; V215-L217 PolarHBondContact O-N 3.17Å; L217-E220 WeakPolarHBondContact O-CB 3.37Å; L217-E220 PolarHBondContact O-N 3.13Å; L217-R221 VanDerWaalsContact O-CB 3.31Å; L217-R221 WeakPolarHBondContact O-CB 3.48Å; L217-R221 WeakPolarHBondContact O-CG 3.11Å; L217-R221 PolarHBondContact O-N 3.46Å; L217-L735 HydrophobicContact CD1-CD1 4.48Å
218V84.8Confident80.8Confident1 Ų133.2 Ų33.21%0.00618%0.183CC..Hα-helixtrans-64.5-46.4177.81680000111.2L172 L175 E176 L179 H214 V215 S216 E220 R221 T222L172-V218 HydrophobicContact CB-CG2 4.01Å; L175-V218 HydrophobicContact CD2-CG1 4.5Å; L175-V218 HydrophobicContact CG-CG1 4.38Å; E176-V218 HydrophobicContact CB-CG1 3.96Å; E176-V218 HydrophobicContact CB-CG2 4.42Å; E176-V218 HydrophobicContact CG-CG1 4.4Å; L179-V218 HydrophobicContact CD1-CG1 3.95Å; H214-V218 WeakPolarHBondContact O-CG2 3.32Å; H214-V218 PolarHBondContact O-N 3.41Å; V215-V218 PolarHBondContact O-N 2.97Å; S216-V218 PolarHBondContact O-N 2.8Å; V218-E220 VanDerWaalsContact C-N 3.27Å; V218-E220 PolarHBondContact O-N 3.1Å; V218-R221 PolarHBondContact O-N 3.49Å; V218-T222 HydrophobicContact CG1-CG2 4.45Å; V218-T222 WeakPolarHBondContact O-CB 3.48Å; V218-T222 WeakPolarHBondContact O-CG2 2.83Å; V218-T222 PolarHBondContact O-N 2.91Å; V218-T222 PolarHBondContact O-OG1 2.69Å
219F87.1Confident82Confident5 Ų530.5 Ų30.52%0.02217%0.169CC..Hα-helixtrans-62.7-38.4175.7-69.4-46000112.1L179 C187 V189 L194 V215 S216 T222 G223 V224 P226L179-F219 HydrophobicContact CD1-CD1 4.01Å; L179-F219 HydrophobicContact CD1-CE1 3.89Å; C187-F219 HydrophobicContact CB-CD1 4.38Å; C187-F219 HydrophobicContact CB-CE1 3.55Å; C187-F219 HydrophobicContact CB-CZ 3.98Å; V189-F219 HydrophobicContact CG1-CE2 3.78Å; V189-F219 HydrophobicContact CG1-CZ 3.62Å; L194-F219 HydrophobicContact CD2-CD2 4.1Å; L194-F219 HydrophobicContact CD2-CE2 4.11Å; V215-F219 HydrophobicContact CG1-CD2 3.76Å; V215-F219 HydrophobicContact CG1-CE2 3.3Å; V215-F219 HydrophobicContact CG1-CZ 4.14Å; V215-F219 VanDerWaalsContact O-CD2 3.27Å; V215-F219 WeakPolarHBondContact O-CD2 3.3Å; V215-F219 PolarHBondContact O-N 2.82Å; V215-F219 VanDerWaalsContact O-N 3.07Å; S216-F219 PolarHBondContact O-N 3.38Å; F219-T222 WeakPolarHBondContact CA-OG1 3.43Å; F219-T222 PolarHBondContact O-OG1 3.46Å; F219-G223 WeakPolarHBondContact O-CA 3.18Å; F219-G223 PolarHBondContact O-N 3.19Å; F219-V224 HydrophobicContact CD1-CB 3.9Å; F219-V224 HydrophobicContact CD1-CG1 3.84Å; F219-V224 HydrophobicContact CE1-CG1 4.2Å; F219-V224 PolarHBondContact O-N 3.46Å; F219-P226 HydrophobicContact CD2-CB 3.88Å; F219-P226 HydrophobicContact CD2-CG 4.41Å; F219-P226 HydrophobicContact CE2-CB 4.12Å; F219-P226 HydrophobicContact CG-CB 4.34Å
220E79.3Confident83.1Confident88 Ų8834.7 Ų34.741%0.41118%0.184SC..Hα-helixtrans-65.6-36176.3-94.4-164.4-150.500114.5S216 L217 V218 R725S216-E220 VanDerWaalsContact O-CB 3.25Å; S216-E220 WeakPolarHBondContact O-CB 3.41Å; S216-E220 WeakPolarHBondContact O-CG 3.48Å; S216-E220 PolarHBondContact O-N 3.03Å; L217-E220 WeakPolarHBondContact O-CB 3.37Å; L217-E220 PolarHBondContact O-N 3.13Å; V218-E220 VanDerWaalsContact C-N 3.27Å; V218-E220 PolarHBondContact O-N 3.1Å; E220-R725 PolarHBondContact O-NH1 3.44Å; E220-R725 PolarHBondContact O-NH2 3.06Å; E220-R725 VanDerWaalsContact OE2-CD 3.26Å; E220-R725 WeakPolarHBondContact OE2-CD 3.5Å; E220-R725 IonicContact OE2-CZ 3.43Å; E220-R725 IonicContact OE2-NE 2.69Å; E220-R725 IonicContact OE2-NH1 2.8Å; E220-R725 PolarHBondContact OE2-NH1 3.01Å
221R76.6Confident83.8Confident27 Ų2740.2 Ų40.210%0.10220%0.204CC..Hα-helixtrans-73.5-45177.4-83.8173.2178.4-179.40.7112.4E176 L217 V218 G223 Y722E176-R221 IonicContact OE2-NH1 2.65Å; L217-R221 VanDerWaalsContact O-CB 3.31Å; L217-R221 WeakPolarHBondContact O-CB 3.48Å; L217-R221 WeakPolarHBondContact O-CG 3.11Å; L217-R221 PolarHBondContact O-N 3.46Å; V218-R221 PolarHBondContact O-N 3.49Å; R221-G223 VanDerWaalsContact C-N 3.27Å; R221-Y722 WeakPolarHBondContact CG-OH 3.32Å; R221-Y722 PolarHBondContact NE-OH 3.1Å
222T80.3Confident84.3Confident32 Ų3242.4 Ų42.420%0.19622%0.22CC..Hα-helixtrans-75.9-18.8179.453.20000112.3E176 L179 V180 V218 F219 V224E176-T222 HydrophobicContact CG-CG2 3.8Å; L179-T222 HydrophobicContact CB-CG2 4.22Å; L179-T222 HydrophobicContact CD1-CG2 4.49Å; V180-T222 HydrophobicContact CG2-CG2 4.09Å; V218-T222 HydrophobicContact CG1-CG2 4.45Å; V218-T222 WeakPolarHBondContact O-CB 3.48Å; V218-T222 WeakPolarHBondContact O-CG2 2.83Å; V218-T222 PolarHBondContact O-N 2.91Å; V218-T222 PolarHBondContact O-OG1 2.69Å; F219-T222 WeakPolarHBondContact CA-OG1 3.43Å; F219-T222 PolarHBondContact O-OG1 3.46Å; T222-V224 VanDerWaalsContact OG1-CG2 3.29Å; T222-V224 WeakPolarHBondContact OG1-CG2 3.43Å
223G81.1Confident84.6Confident30 Ų3043.6 Ų43.631%0.30923%0.225SC..THydrogen-bonded Turntrans6452.1-172.300000109.7Q87 F219 R221Q87-G223 PolarHBondContact NE2-O 3.03Å; Q87-G223 PolarHBondContact OE1-O 3.22Å; F219-G223 WeakPolarHBondContact O-CA 3.18Å; F219-G223 PolarHBondContact O-N 3.19Å; R221-G223 VanDerWaalsContact C-N 3.27Å
224V87.9Confident84.9Confident7 Ų739 Ų394%0.04220%0.204CC..  trans-107.8133.5174.9171.60000107.7T184 C187 F219 T222 P226T184-V224 HydrophobicContact CG2-CG1 3.91Å; T184-V224 HydrophobicContact CG2-CG2 4.37Å; T184-V224 WeakPolarHBondContact O-CG2 3.23Å; C187-V224 HydrophobicContact CB-CG1 3.61Å; F219-V224 HydrophobicContact CD1-CB 3.9Å; F219-V224 HydrophobicContact CD1-CG1 3.84Å; F219-V224 HydrophobicContact CE1-CG1 4.2Å; F219-V224 PolarHBondContact O-N 3.46Å; T222-V224 VanDerWaalsContact OG1-CG2 3.29Å; T222-V224 WeakPolarHBondContact OG1-CG2 3.43Å; V224-P226 WeakPolarHBondContact O-CD 3.44Å
225L89.6Confident84.7Confident11 Ų1141.5 Ų41.56%0.05822%0.224CC..EExtended strand (participates in β ladder)trans-75.2116.1173.917869.7000110.2T24 R89 P113 R185 E186 C187T24-L225 HydrophobicContact CG2-CD1 3.87Å; R89-L225 HydrophobicContact CG-CD2 3.83Å; P113-L225 HydrophobicContact CG-CD2 3.99Å; R185-L225 PolarHBondContact O-N 3.11Å; E186-L225 CarbonylContact C-O 3.52Å; E186-L225 VanDerWaalsContact CA-O 3.28Å; E186-L225 WeakPolarHBondContact CA-O 3.31Å; E186-L225 HydrophobicContact CB-CB 4.49Å; E186-L225 HydrophobicContact CG-CB 4.43Å; E186-L225 HydrophobicContact CG-CD2 4.35Å; C187-L225 PolarHBondContact N-O 3.49Å
226P91.2Very high84Confident43 Ų4347.5 Ų47.528%0.27925%0.252SS..EExtended strand (participates in β ladder)trans-80.5132.9172.231.7-33000111.3C187 L194 F219 V224C187-P226 WeakPolarHBondContact O-CA 3.38Å; L194-P226 HydrophobicContact CD1-CB 3.66Å; L194-P226 HydrophobicContact CD1-CG 4.04Å; F219-P226 HydrophobicContact CD2-CB 3.88Å; F219-P226 HydrophobicContact CD2-CG 4.41Å; F219-P226 HydrophobicContact CE2-CB 4.12Å; F219-P226 HydrophobicContact CG-CB 4.34Å; V224-P226 WeakPolarHBondContact O-CD 3.44Å
227T90.4Very high83.3Confident7 Ų750.4 Ų50.44%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-120.5109.6175.2-730000109.5R89 E186 C187 L188 V189 V229 F279R89-T227 PolarHBondContact NH1-OG1 3.44Å; R89-T227 VanDerWaalsContact NH1-OG1 3.15Å; E186-T227 PolarHBondContact OE1-OG1 3.03Å; C187-T227 PolarHBondContact O-N 3.01Å; L188-T227 WeakPolarHBondContact CA-O 3.4Å; L188-T227 HydrophobicContact CD2-CG2 3.87Å; V189-T227 PolarHBondContact N-O 3.18Å; T227-V229 HydrophobicContact CG2-CG2 4.23Å; T227-V229 PolarHBondContact O-N 3.47Å; T227-F279 HydrophobicContact CG2-CE2 3.82Å; T227-F279 HydrophobicContact CG2-CZ 4.33Å
228E89.6Confident83Confident86 Ų8650.1 Ų50.140%0.40226%0.262SS..EExtended strand (participates in β ladder)trans-71.6128.5176.2-65.4-162.1136.800111.6V189 G192 L194V189-E228 HydrophobicContact CG2-CG 4.12Å; V189-E228 CarbonylContact O-C 3.57Å; V189-E228 WeakPolarHBondContact O-CA 3.41Å; G192-E228 PolarHBondContact N-OE1 3.07Å; L194-E228 HydrophobicContact CD1-CG 3.95Å
229V89.1Confident82.4Confident13 Ų1356.4 Ų56.48%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-125.6146.1178.7-179.90000109.1L188 V189 P190 T191 T227 K231 E233 F234 F279L188-V229 HydrophobicContact CB-CG2 4.23Å; L188-V229 HydrophobicContact CD2-CG2 3.97Å; L188-V229 HydrophobicContact CG-CG2 4.47Å; V189-V229 PolarHBondContact O-N 2.99Å; P190-V229 CarbonylContact C-O 3.56Å; P190-V229 WeakPolarHBondContact CA-O 3.32Å; T191-V229 PolarHBondContact N-O 2.88Å; T191-V229 VanDerWaalsContact OG1-C 3.27Å; T191-V229 PolarHBondContact OG1-O 2.83Å; T227-V229 HydrophobicContact CG2-CG2 4.23Å; T227-V229 PolarHBondContact O-N 3.47Å; V229-K231 PolarHBondContact O-N 2.94Å; V229-E233 HydrophobicContact CG1-CB 3.77Å; V229-E233 HydrophobicContact CG1-CG 3.77Å; V229-E233 WeakPolarHBondContact CG1-OE2 3.32Å; V229-F234 HydrophobicContact CB-CE2 4.08Å; V229-F279 HydrophobicContact CG2-CD2 4.42Å
230K88.6Confident81.7Confident141 Ų14159.1 Ų59.161%0.61331%0.307SS*.  trans-52.9136.4-176.2-64.4177.6-178.9177.30111T191 S232 E233T191-K230 WeakPolarHBondContact OG1-CA 3.33Å; K230-S232 PolarHBondContact O-N 2.92Å; K230-E233 HydrophobicContact CB-CG 4.28Å; K230-E233 WeakPolarHBondContact O-CB 3.36Å; K230-E233 PolarHBondContact O-N 3.28Å
231K85.3Confident81.4Confident143 Ų14362.2 Ų62.262%0.62232%0.322SS*.Hα-helixtrans-51.2-32.1177.7-65.6-168.5179.1-170.70113.6P190 T191 V229 E233 F234 S235P190-K231 HydrophobicContact CB-CG 4.23Å; T191-K231 WeakPolarHBondContact O-CE 3.48Å; V229-K231 PolarHBondContact O-N 2.94Å; K231-E233 PolarHBondContact O-N 3.02Å; K231-F234 PolarHBondContact O-N 3.47Å; K231-S235 PolarHBondContact O-N 3.17Å
232S86.1Confident81.5Confident58 Ų5865.2 Ų65.241%0.40634%0.34SS..Hα-helixtrans-56.6-33.1175.854.90000112.9K230 F234 S235 H236K230-S232 PolarHBondContact O-N 2.92Å; S232-F234 VanDerWaalsContact C-N 3.33Å; S232-F234 PolarHBondContact O-N 3.48Å; S232-S235 WeakPolarHBondContact CA-OG 3.13Å; S232-S235 PolarHBondContact O-N 3.3Å; S232-S235 PolarHBondContact O-OG 2.97Å; S232-H236 PolarHBondContact O-CD2 3.35Å
233E84.3Confident81.6Confident30 Ų3063.7 Ų63.714%0.1433%0.331CS..Hα-helixtrans-72.3-27.6-177.8-51.6-160.6173.700112.7V229 K230 K231 A275 K278V229-E233 HydrophobicContact CG1-CB 3.77Å; V229-E233 HydrophobicContact CG1-CG 3.77Å; V229-E233 WeakPolarHBondContact CG1-OE2 3.32Å; K230-E233 HydrophobicContact CB-CG 4.28Å; K230-E233 WeakPolarHBondContact O-CB 3.36Å; K230-E233 PolarHBondContact O-N 3.28Å; K231-E233 PolarHBondContact O-N 3.02Å; E233-A275 HydrophobicContact CB-CB 4.49Å; E233-K278 HydrophobicContact CB-CD 4.48Å; E233-K278 HydrophobicContact CG-CD 4.06Å; E233-K278 WeakPolarHBondContact OE1-CE 3.35Å; E233-K278 IonicContact OE1-NZ 2.78Å; E233-K278 PolarHBondContact OE1-NZ 3.27Å; E233-K278 IonicContact OE2-NZ 3.11Å
234F84Confident81.5Confident10 Ų1064.2 Ų64.24%0.04433%0.329CS..Hα-helixtrans-85.8-10.4172.2-71.4-93.1000113.4A137 N139 L188 V189 P190 V229 K231 S232 S271 A275A137-F234 HydrophobicContact CB-CE1 4.09Å; A137-F234 HydrophobicContact CB-CZ 4.43Å; N139-F234 HydrophobicContact CB-CD1 4.12Å; L188-F234 HydrophobicContact CB-CZ 4.15Å; V189-F234 VanDerWaalsContact C-CE2 3.48Å; P190-F234 HydrophobicContact CB-CD2 3.85Å; P190-F234 HydrophobicContact CB-CE2 4.08Å; P190-F234 HydrophobicContact CB-CG 4.32Å; P190-F234 VanDerWaalsContact N-CE2 3.35Å; V229-F234 HydrophobicContact CB-CE2 4.08Å; K231-F234 PolarHBondContact O-N 3.47Å; S232-F234 VanDerWaalsContact C-N 3.33Å; S232-F234 PolarHBondContact O-N 3.48Å; F234-S271 WeakPolarHBondContact O-CB 3.29Å; F234-S271 PolarHBondContact O-OG 2.62Å; F234-S271 VanDerWaalsContact O-OG 3.11Å; F234-A275 HydrophobicContact CD1-CB 4.2Å; F234-A275 HydrophobicContact CD2-CB 4.28Å; F234-A275 HydrophobicContact CE1-CB 4.01Å; F234-A275 HydrophobicContact CE2-CB 4.09Å; F234-A275 HydrophobicContact CG-CB 4.33Å; F234-A275 HydrophobicContact CZ-CB 3.95Å
235S73.3Confident81.2Confident80 Ų8066.7 Ų66.756%0.55934%0.339SS*.Hα-helixtrans-87.9-19.8-179.871.50000113.1K231 S232 I237K231-S235 PolarHBondContact O-N 3.17Å; S232-S235 WeakPolarHBondContact CA-OG 3.13Å; S232-S235 PolarHBondContact O-N 3.3Å; S232-S235 PolarHBondContact O-OG 2.97Å; S235-I237 PolarHBondContact O-N 3.04Å; S235-I237 VanDerWaalsContact O-N 3.15Å
236H70.7Confident81Confident126 Ų12666.3 Ų66.358%0.58334%0.336SS*.  trans-78.7100177.3-70.9-65.7000109.7S232 I238S232-H236 PolarHBondContact O-CD2 3.35Å; H236-I238 PolarHBondContact O-N 3.24Å; H236-I238 VanDerWaalsContact O-N 3.14Å
237I68.9Low80.6Confident94 Ų9464.3 Ų64.348%0.48232%0.323SS..  trans-63.1114.6166.1-57.5173.8000106.7S235 K239S235-I237 PolarHBondContact O-N 3.04Å; S235-I237 VanDerWaalsContact O-N 3.15Å; I237-K239 PolarHBondContact O-N 2.61Å; I237-K239 VanDerWaalsContact O-N 3.17Å
238I74.3Confident80Confident20 Ų2066 Ų6610%0.10333%0.329CS..  trans-57.3123.9173.2-59.7166.8000107H236 D242 L243 L270 L273 I277H236-I238 PolarHBondContact O-N 3.24Å; H236-I238 VanDerWaalsContact O-N 3.14Å; I238-D242 HydrophobicContact CG2-CB 3.89Å; I238-L243 HydrophobicContact CD1-CD1 4.44Å; I238-L243 HydrophobicContact CG2-CB 3.9Å; I238-L270 WeakPolarHBondContact CD1-O 3.17Å; I238-L273 HydrophobicContact CD1-CB 3.95Å; I238-L273 HydrophobicContact CD1-CD2 4.26Å; I238-L273 HydrophobicContact CD1-CG 3.89Å; I238-I277 HydrophobicContact CD1-CD1 3.59Å; I238-I277 HydrophobicContact CD1-CG1 4.49Å
239K73.5Confident78.9Confident133 Ų13365.2 Ų65.258%0.57832%0.324SS*.  trans-68.9142.4173.8-64.4176.7-179.1174.70108.3I237 Q241 D242 L243I237-K239 PolarHBondContact O-N 2.61Å; I237-K239 VanDerWaalsContact O-N 3.17Å; K239-Q241 PolarHBondContact O-N 3.36Å; K239-D242 PolarHBondContact O-N 2.96Å; K239-L243 PolarHBondContact O-N 3.45Å; K239-L243 VanDerWaalsContact O-N 3.13Å
240P72.1Confident77.5Confident62 Ų6270.8 Ų70.840%0.40335%0.349SS..Hα-helixtrans-51-30175.9-29.935.7000114.2L243 S244 F264P240-L243 PolarHBondContact O-N 2.89Å; P240-S244 WeakPolarHBondContact O-CB 3.39Å; P240-S244 PolarHBondContact O-N 3.44Å; P240-F264 HydrophobicContact CB-CD1 3.99Å; P240-F264 HydrophobicContact CB-CE1 3.6Å; P240-F264 HydrophobicContact CB-CE2 4.38Å; P240-F264 HydrophobicContact CB-CZ 3.83Å; P240-F264 HydrophobicContact CG-CD1 3.87Å; P240-F264 HydrophobicContact CG-CE1 3.97Å; P240-F264 HydrophobicContact CG-CG 4.43Å
241Q72.7Confident75.9Confident153 Ų15374.2 Ų74.272%0.71536%0.364SS*.Hα-helixtrans-68.9-34.4175.5-65175.7-3.900114K239 S244K239-Q241 PolarHBondContact O-N 3.36Å; Q241-S244 PolarHBondContact O-OG 2.9Å
242D78.3Confident74.2Confident90 Ų9075.4 Ų75.448%0.48137%0.372SS..Hα-helixtrans-76-36.5176.4-58.8-33.1000109.4I238 K239 Y245I238-D242 HydrophobicContact CG2-CB 3.89Å; K239-D242 PolarHBondContact O-N 2.96Å; D242-Y245 WeakPolarHBondContact O-CB 3.44Å; D242-Y245 PolarHBondContact O-N 2.66Å
243L81.9Confident72.6Confident1 Ų176.6 Ų76.61%0.00537%0.374CS..Hα-helixtrans-69-37.8176-164.861.7000111.8F161 I238 K239 P240 Y245 F246 L247 F264 L270 L273 I277 L294F161-L243 HydrophobicContact CD2-CD1 4.48Å; F161-L243 HydrophobicContact CE2-CD1 4.42Å; I238-L243 HydrophobicContact CD1-CD1 4.44Å; I238-L243 HydrophobicContact CG2-CB 3.9Å; K239-L243 PolarHBondContact O-N 3.45Å; K239-L243 VanDerWaalsContact O-N 3.13Å; P240-L243 PolarHBondContact O-N 2.89Å; L243-Y245 PolarHBondContact O-N 3.26Å; L243-Y245 VanDerWaalsContact O-N 3.1Å; L243-F246 PolarHBondContact O-N 3.48Å; L243-L247 HydrophobicContact CD2-CD1 3.99Å; L243-L247 HydrophobicContact CG-CD1 3.82Å; L243-L247 HydrophobicContact CG-CD2 4.26Å; L243-L247 HydrophobicContact CG-CG 3.95Å; L243-L247 WeakPolarHBondContact O-CG 3.39Å; L243-L247 PolarHBondContact O-N 3.3Å; L243-L247 VanDerWaalsContact O-N 3.16Å; L243-F264 HydrophobicContact CB-CE1 4.41Å; L243-F264 HydrophobicContact CD2-CE1 3.72Å; L243-F264 HydrophobicContact CD2-CZ 4.3Å; L243-L270 HydrophobicContact CD2-CD2 3.81Å; L243-L273 HydrophobicContact CD1-CD2 3.76Å; L243-L273 HydrophobicContact CD2-CD2 4.4Å; L243-I277 HydrophobicContact CD1-CD1 4.05Å; L243-L294 HydrophobicContact CD2-CD2 3.82Å
244S79.8Confident71Confident40 Ų4080.8 Ų80.828%0.2840%0.404SS..THydrogen-bonded Turntrans-61.6-18.8178.270.50000113.8P240 Q241 F246 F249 Y290P240-S244 WeakPolarHBondContact O-CB 3.39Å; P240-S244 PolarHBondContact O-N 3.44Å; Q241-S244 PolarHBondContact O-OG 2.9Å; S244-F246 PolarHBondContact O-N 3.35Å; S244-F249 WeakPolarHBondContact O-CE2 3.47Å; S244-Y290 WeakPolarHBondContact O-CE1 3.49Å
245Y82.5Confident69.5Low60 Ų6086 Ų8624%0.23543%0.432CS..THydrogen-bonded Turntrans-61-36.5169.2179.7-95.5000111.8D242 L243 D286 R289 Y290D242-Y245 WeakPolarHBondContact O-CB 3.44Å; D242-Y245 PolarHBondContact O-N 2.66Å; L243-Y245 PolarHBondContact O-N 3.26Å; L243-Y245 VanDerWaalsContact O-N 3.1Å; Y245-D286 PolarHBondContact OH-OD1 3.17Å; Y245-R289 HydrophobicContact CD2-CG 4.15Å; Y245-R289 HydrophobicContact CE1-CB 4.16Å; Y245-R289 HydrophobicContact CE1-CG 4.4Å; Y245-R289 HydrophobicContact CE2-CB 4.29Å; Y245-R289 HydrophobicContact CE2-CG 3.81Å; Y245-R289 CarbonylContact O-C 3.13Å; Y245-R289 WeakPolarHBondContact O-CA 3.49Å; Y245-Y290 PolarHBondContact O-N 3.21Å
246F84.1Confident68.5Low3 Ų382.6 Ų82.61%0.01341%0.41CS..THydrogen-bonded Turntrans-91.3-31.6-177.8-59.8-74.2000113.6F161 L243 S244 I277 L282 N283 N288 Y290 A291 F292F161-F246 HydrophobicContact CE2-CB 3.94Å; F161-F246 HydrophobicContact CE2-CG 4.47Å; L243-F246 PolarHBondContact O-N 3.48Å; S244-F246 PolarHBondContact O-N 3.35Å; F246-I277 HydrophobicContact CD2-CD1 4.07Å; F246-I277 HydrophobicContact CE2-CD1 3.88Å; F246-I277 HydrophobicContact CE2-CG2 3.82Å; F246-I277 HydrophobicContact CZ-CG2 3.71Å; F246-L282 HydrophobicContact CE1-CB 3.66Å; F246-L282 HydrophobicContact CZ-CB 4.04Å; F246-N283 WeakPolarHBondContact CZ-OD1 3.39Å; F246-N288 HydrophobicContact CD1-CB 4Å; F246-N288 HydrophobicContact CE1-CB 4.04Å; F246-Y290 CarbonylContact O-C 3.56Å; F246-Y290 WeakPolarHBondContact O-CA 3.41Å; F246-A291 PolarHBondContact O-N 2.62Å; F246-F292 HydrophobicContact CB-CD2 4.27Å; F246-F292 PolarHBondContact O-N 3.13Å
247L83.4Confident67.6Low0 Ų080.1 Ų80.10%041%0.406CS..BIsolated β-bridgetrans-75.4137.7-169.4-61.5-178.4000113.3F161 L243 F249 Y260 F264 Y290 F292 L294F161-L247 HydrophobicContact CD2-CD2 4.12Å; L243-L247 HydrophobicContact CD2-CD1 3.99Å; L243-L247 HydrophobicContact CG-CD1 3.82Å; L243-L247 HydrophobicContact CG-CD2 4.26Å; L243-L247 HydrophobicContact CG-CG 3.95Å; L243-L247 WeakPolarHBondContact O-CG 3.39Å; L243-L247 PolarHBondContact O-N 3.3Å; L243-L247 VanDerWaalsContact O-N 3.16Å; L247-F249 HydrophobicContact CB-CE1 4.42Å; L247-F249 HydrophobicContact CB-CZ 4.15Å; L247-Y260 HydrophobicContact CB-CE2 4.11Å; L247-Y260 HydrophobicContact CD1-CD2 3.72Å; L247-Y260 HydrophobicContact CD1-CE2 3.76Å; L247-Y260 HydrophobicContact CD1-CG 4.24Å; L247-Y260 HydrophobicContact CG-CE2 4.47Å; L247-F264 HydrophobicContact CD1-CZ 4.32Å; L247-Y290 WeakPolarHBondContact O-CD1 3.18Å; L247-F292 CarbonylContact C-O 3.5Å; L247-F292 VanDerWaalsContact CA-O 3.31Å; L247-F292 WeakPolarHBondContact CA-O 3.36Å; L247-L294 HydrophobicContact CD1-CB 4.35Å; L247-L294 HydrophobicContact CD1-CD2 4.24Å; L247-L294 HydrophobicContact CD2-CB 3.66Å
248R76.6Confident67Low43 Ų4380.9 Ų80.916%0.16241%0.411CS..  trans-69.6135.3166.7-70.4-178.4-166.8167.718.1109.1Y260 Y290 A291 F292 E594 N597R248-Y260 PolarHBondContact O-OH 3.41Å; R248-Y290 WeakPolarHBondContact CG-O 3.41Å; R248-A291 PolarHBondContact NE-O 3.49Å; R248-A291 PolarHBondContact NH2-O 3.36Å; R248-F292 PolarHBondContact N-O 3.03Å; R248-E594 IonicContact CZ-OE2 3.67Å; R248-E594 IonicContact NE-OE2 2.69Å; R248-E594 IonicContact NH1-OE2 3.85Å; R248-E594 PolarHBondContact NH1-OE2 2.93Å; R248-N597 PolarHBondContact NH1-ND2 3.34Å; R248-N597 VanDerWaalsContact NH1-ND2 3.14Å; R248-N597 PolarHBondContact NH2-ND2 2.84Å
249F67.7Low66.4Low69 Ų6982.9 Ų82.930%0.30342%0.422SS..  trans-114.5131169.1-60.5-65.2000108.5S244 L247 G256 Y260 Y290S244-F249 WeakPolarHBondContact O-CE2 3.47Å; L247-F249 HydrophobicContact CB-CE1 4.42Å; L247-F249 HydrophobicContact CB-CZ 4.15Å; F249-G256 WeakPolarHBondContact CE1-O 3.49Å; F249-Y260 HydrophobicContact CD1-CE2 4.24Å; F249-Y260 HydrophobicContact CE1-CD2 4.28Å; F249-Y260 AromaticContact CE1-CE2 3.95Å; F249-Y260 HydrophobicContact CE1-CE2 3.95Å; F249-Y290 HydrophobicContact CD2-CD1 4.41Å; F249-Y290 HydrophobicContact CE2-CD1 4.44Å; F249-Y290 HydrophobicContact CE2-CE1 4.39Å
250E59.8Low66.3Low130 Ų13077.7 Ų77.761%0.60740%0.398SS*.  trans-63.9140171-68.2-174.8156.100109.4E252 N253E250-E252 PolarHBondContact O-N 3.28Å; E250-N253 PolarHBondContact O-N 2.8Å; E250-N253 VanDerWaalsContact O-N 3.07Å
251K53.7Low66.4Low214 Ų21480 Ų8093%0.9340%0.404SS*.THydrogen-bonded Turntrans-55.4-20.9-178.2-75.2-177.7177.91760113.4
252E49.5Very low66.7Low168 Ų16880.1 Ų80.179%0.78540%0.402SS*.THydrogen-bonded Turntrans-83.8-15.6-176.3-60.7-170.1169.200113.5E250E250-E252 PolarHBondContact O-N 3.28Å
253N52.8Low66.8Low82 Ų8277.1 Ų77.144%0.43939%0.385SS..  trans-128.682.9-177.5-81.6-36.5000112.5E250 N255 L259E250-N253 PolarHBondContact O-N 2.8Å; E250-N253 VanDerWaalsContact O-N 3.07Å; N253-N255 PolarHBondContact O-N 3.11Å; N253-L259 HydrophobicContact CB-CD1 3.76Å; N253-L259 HydrophobicContact CB-CG 4.49Å
254P52Low66.7Low119 Ų11978.5 Ų78.577%0.77339%0.391SS*.SBendtrans-64.8-18.5177.824.6-32.6000113.5G256P254-G256 VanDerWaalsContact C-N 3.26Å; P254-G256 PolarHBondContact O-N 2.99Å; P254-G256 VanDerWaalsContact O-N 3.16Å
255N51.7Low66.8Low120 Ų12083 Ų8364%0.64241%0.412SS*.  trans-87.366.4169-72.5-15000110.2N253 S257 L258N253-N255 PolarHBondContact O-N 3.11Å; N255-S257 PolarHBondContact O-N 3.45Å; N255-L258 HydrophobicContact CB-CD1 4.02Å; N255-L258 PolarHBondContact O-N 3.28Å; N255-L258 VanDerWaalsContact O-N 3.12Å
256G52.5Low66.9Low8 Ų881.8 Ų81.88%0.08241%0.409CS..THydrogen-bonded Turntrans-55.6-12.7-176.200000116.6F249 P254 L258F249-G256 WeakPolarHBondContact CE1-O 3.49Å; P254-G256 VanDerWaalsContact C-N 3.26Å; P254-G256 PolarHBondContact O-N 2.99Å; P254-G256 VanDerWaalsContact O-N 3.16Å; G256-L258 VanDerWaalsContact C-N 3.33Å
257S52.5Low66.9Low74 Ų7489.6 Ų89.652%0.51744%0.438SS..THydrogen-bonded Turntrans-71.7-23.7176.8-158.70000113.9N255N255-S257 PolarHBondContact O-N 3.45Å
258L56.3Low67.1Low109 Ų10991.7 Ų91.757%0.57145%0.449SS*.THydrogen-bonded Turntrans-76-31.1178.5-80.8148.6000112.3N255 G256 Y260 E261N255-L258 HydrophobicContact CB-CD1 4.02Å; N255-L258 PolarHBondContact O-N 3.28Å; N255-L258 VanDerWaalsContact O-N 3.12Å; G256-L258 VanDerWaalsContact C-N 3.33Å; L258-Y260 VanDerWaalsContact C-N 3.28Å; L258-Y260 PolarHBondContact O-N 3.47Å; L258-E261 WeakPolarHBondContact CD2-OE1 3.45Å
259L61.4Low67.8Low63 Ų6389.6 Ų89.633%0.3344%0.441SS..THydrogen-bonded Turntrans-64.2-33.4-176.6-93.5152000112.9N253N253-L259 HydrophobicContact CB-CD1 3.76Å; N253-L259 HydrophobicContact CB-CG 4.49Å
260Y72Confident68.9Low23 Ų2386.6 Ų86.69%0.0943%0.428CS..THydrogen-bonded Turntrans-11525.3-173.3-57.5-71000112.6L247 R248 F249 L258 K262 E263 F264 L294L247-Y260 HydrophobicContact CB-CE2 4.11Å; L247-Y260 HydrophobicContact CD1-CD2 3.72Å; L247-Y260 HydrophobicContact CD1-CE2 3.76Å; L247-Y260 HydrophobicContact CD1-CG 4.24Å; L247-Y260 HydrophobicContact CG-CE2 4.47Å; R248-Y260 PolarHBondContact O-OH 3.41Å; F249-Y260 HydrophobicContact CD1-CE2 4.24Å; F249-Y260 HydrophobicContact CE1-CD2 4.28Å; F249-Y260 AromaticContact CE1-CE2 3.95Å; F249-Y260 HydrophobicContact CE1-CE2 3.95Å; L258-Y260 VanDerWaalsContact C-N 3.28Å; L258-Y260 PolarHBondContact O-N 3.47Å; Y260-K262 VanDerWaalsContact C-N 3.28Å; Y260-K262 PolarHBondContact O-N 3.46Å; Y260-E263 WeakPolarHBondContact CA-OE2 3.38Å; Y260-E263 HydrophobicContact CD1-CG 4.4Å; Y260-E263 WeakPolarHBondContact O-CB 3.17Å; Y260-E263 PolarHBondContact O-N 2.89Å; Y260-F264 WeakPolarHBondContact O-CB 3.39Å; Y260-F264 WeakPolarHBondContact O-CD2 3.5Å; Y260-F264 WeakPolarHBondContact O-CG 3.29Å; Y260-F264 PolarHBondContact O-N 3.26Å; Y260-L294 HydrophobicContact CD1-CB 3.89Å; Y260-L294 HydrophobicContact CD1-CD2 4.3Å; Y260-L294 HydrophobicContact CD1-CG 4.47Å; Y260-L294 HydrophobicContact CE1-CB 3.82Å; Y260-L294 WeakPolarHBondContact CE1-O 3.37Å; Y260-L294 HydrophobicContact CG-CD2 4.46Å
261E72.8Confident70.3Confident112 Ų11280.5 Ų80.552%0.52340%0.4SS..Hα-helixtrans-56.6-42.1-175.3-82.2-176167.900112.7L258 F264 L265L258-E261 WeakPolarHBondContact CD2-OE1 3.45Å; E261-F264 PolarHBondContact O-N 3.17Å; E261-L265 WeakPolarHBondContact O-CG 3.29Å; E261-L265 PolarHBondContact O-N 3.39Å
262K80.2Confident72.2Confident154 Ų15470.3 Ų70.367%0.6736%0.356SS*.Hα-helixtrans-67.6-40.6-178.3-67-177.9178.7178.90111.2Y260 F264 L265 I296Y260-K262 VanDerWaalsContact C-N 3.28Å; Y260-K262 PolarHBondContact O-N 3.46Å; K262-F264 VanDerWaalsContact C-N 3.35Å; K262-L265 WeakPolarHBondContact O-CB 3.32Å; K262-L265 PolarHBondContact O-N 3.11Å; K262-I296 HydrophobicContact CB-CD1 3.71Å
263E78.9Confident74.2Confident27 Ų2762.3 Ų62.313%0.12632%0.319CS..Hα-helixtrans-64.4-41.6177.2-63.370.4-172.100110.4V163 Y260 L265 L266 L294 I296V163-E263 HydrophobicContact CG2-CB 4.39Å; Y260-E263 WeakPolarHBondContact CA-OE2 3.38Å; Y260-E263 HydrophobicContact CD1-CG 4.4Å; Y260-E263 WeakPolarHBondContact O-CB 3.17Å; Y260-E263 PolarHBondContact O-N 2.89Å; E263-L265 PolarHBondContact O-N 2.7Å; E263-L266 PolarHBondContact O-N 2.75Å; E263-L266 VanDerWaalsContact O-N 3.12Å; E263-L294 HydrophobicContact CB-CD2 3.57Å; E263-L294 HydrophobicContact CB-CG 4.09Å; E263-L294 HydrophobicContact CG-CD2 3.93Å; E263-L294 HydrophobicContact CG-CG 3.93Å; E263-I296 HydrophobicContact CG-CD1 4.23Å; E263-I296 HydrophobicContact CG-CG1 3.67Å
264F79.8Confident76Confident31 Ų3159 Ų5914%0.13630%0.304CS..Hα-helixtrans-67.6-14.6177.6-73.7-53.9000114.2P240 L243 L247 Y260 E261 K262 L270P240-F264 HydrophobicContact CB-CD1 3.99Å; P240-F264 HydrophobicContact CB-CE1 3.6Å; P240-F264 HydrophobicContact CB-CE2 4.38Å; P240-F264 HydrophobicContact CB-CZ 3.83Å; P240-F264 HydrophobicContact CG-CD1 3.87Å; P240-F264 HydrophobicContact CG-CE1 3.97Å; P240-F264 HydrophobicContact CG-CG 4.43Å; L243-F264 HydrophobicContact CB-CE1 4.41Å; L243-F264 HydrophobicContact CD2-CE1 3.72Å; L243-F264 HydrophobicContact CD2-CZ 4.3Å; L247-F264 HydrophobicContact CD1-CZ 4.32Å; Y260-F264 WeakPolarHBondContact O-CB 3.39Å; Y260-F264 WeakPolarHBondContact O-CD2 3.5Å; Y260-F264 WeakPolarHBondContact O-CG 3.29Å; Y260-F264 PolarHBondContact O-N 3.26Å; E261-F264 PolarHBondContact O-N 3.17Å; K262-F264 VanDerWaalsContact C-N 3.35Å; F264-L270 HydrophobicContact CD1-CD1 3.99Å
265L82.8Confident77.9Confident135 Ų13553.3 Ų53.371%0.70727%0.267SS*.Hα-helixtrans-74-26.5172-64.5171000112.5E261 K262 E263 R267E261-L265 WeakPolarHBondContact O-CG 3.29Å; E261-L265 PolarHBondContact O-N 3.39Å; K262-L265 WeakPolarHBondContact O-CB 3.32Å; K262-L265 PolarHBondContact O-N 3.11Å; E263-L265 PolarHBondContact O-N 2.7Å; L265-R267 PolarHBondContact O-N 2.97Å
266L84.4Confident79.8Confident33 Ų3347.6 Ų47.617%0.17324%0.236CC..  trans-81.565.7-178.3-56.9177.1000111.3V163 E165 E263 D268 A269 L270 I296V163-L266 HydrophobicContact CG2-CD1 4.28Å; E165-L266 HydrophobicContact CB-CD2 4.25Å; E165-L266 HydrophobicContact CG-CB 4.34Å; E165-L266 HydrophobicContact CG-CD2 4.01Å; E165-L266 VanDerWaalsContact OE1-C 3.3Å; E165-L266 WeakPolarHBondContact OE1-CA 3.14Å; E263-L266 PolarHBondContact O-N 2.75Å; E263-L266 VanDerWaalsContact O-N 3.12Å; L266-D268 VanDerWaalsContact C-N 3.25Å; L266-D268 PolarHBondContact O-N 2.9Å; L266-A269 HydrophobicContact CB-CB 4.04Å; L266-A269 PolarHBondContact O-N 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.45Å; L266-L270 PolarHBondContact O-N 3.08Å; L266-I296 HydrophobicContact CD1-CG2 4.3Å
267R85Confident81.5Confident168 Ų16847.8 Ų47.863%0.63424%0.235SC*.Hα-helixtrans-61-32.9-171.4-66.8-176179-178.11.4113.3L265 S271L265-R267 PolarHBondContact O-N 2.97Å; R267-S271 PolarHBondContact O-N 2.81Å
268D87.2Confident83.3Confident43 Ų4349.6 Ų49.623%0.2323%0.234CC..Hα-helixtrans-82.7-34.7-177.9-70.8-36.9000111.8K141 C150 E165 L266 L270 S271 C272K141-D268 IonicContact NZ-OD1 2.92Å; K141-D268 PolarHBondContact NZ-OD1 3.43Å; K141-D268 IonicContact NZ-OD2 2.78Å; K141-D268 PolarHBondContact NZ-OD2 3.11Å; C150-D268 HydrophobicContact CB-CB 4.11Å; C150-D268 WeakPolarHBondContact SG-CB 3.47Å; E165-D268 PolarHBondContact OE1-N 3.42Å; L266-D268 VanDerWaalsContact C-N 3.25Å; L266-D268 PolarHBondContact O-N 2.9Å; D268-L270 VanDerWaalsContact C-N 3.31Å; D268-S271 PolarHBondContact O-N 3.28Å; D268-S271 PolarHBondContact O-OG 2.92Å; D268-C272 PolarHBondContact O-N 2.92Å; D268-C272 PolarHBondContact O-SG 3.36Å; D268-C272 VanDerWaalsContact O-SG 3.35Å
269A90.5Very high84.8Confident0 Ų047.6 Ų47.60%022%0.22CC..Hα-helixtrans-63.7-38.4167.200000111.7V163 E165 L266 S271 C272 L273V163-A269 HydrophobicContact CB-CB 3.91Å; V163-A269 HydrophobicContact CG1-CB 4.4Å; E165-A269 HydrophobicContact CG-CB 3.79Å; E165-A269 PolarHBondContact OE1-N 2.91Å; L266-A269 HydrophobicContact CB-CB 4.04Å; L266-A269 PolarHBondContact O-N 3.27Å; A269-S271 VanDerWaalsContact C-N 3.29Å; A269-S271 PolarHBondContact O-N 2.9Å; A269-C272 VanDerWaalsContact O-CB 3.31Å; A269-C272 WeakPolarHBondContact O-CB 3.42Å; A269-C272 PolarHBondContact O-N 3.48Å; A269-C272 VanDerWaalsContact O-N 3.15Å; A269-L273 PolarHBondContact O-N 2.65Å
270L90.5Very high86.1Confident5 Ų545.5 Ų45.53%0.02621%0.21CC..Hα-helixtrans-64.6-30.3175.4-75.5174.6000113.4V163 I238 L243 F264 L266 D268 C272 L273 G274V163-L270 HydrophobicContact CG1-CD2 4.27Å; I238-L270 WeakPolarHBondContact CD1-O 3.17Å; L243-L270 HydrophobicContact CD2-CD2 3.81Å; F264-L270 HydrophobicContact CD1-CD1 3.99Å; L266-L270 WeakPolarHBondContact O-CG 3.45Å; L266-L270 PolarHBondContact O-N 3.08Å; D268-L270 VanDerWaalsContact C-N 3.31Å; L270-C272 VanDerWaalsContact C-N 3.34Å; L270-L273 HydrophobicContact CD2-CD2 4.14Å; L270-L273 WeakPolarHBondContact O-CB 3.36Å; L270-L273 PolarHBondContact O-N 3.3Å; L270-G274 PolarHBondContact O-N 3.03Å
271S90.4Very high86.7Confident3 Ų349 Ų492%0.02123%0.23CC..Hα-helixtrans-70.9-33.2174.377.60000112F234 R267 D268 A269 L273 G274 A275F234-S271 WeakPolarHBondContact O-CB 3.29Å; F234-S271 PolarHBondContact O-OG 2.62Å; F234-S271 VanDerWaalsContact O-OG 3.11Å; R267-S271 PolarHBondContact O-N 2.81Å; D268-S271 PolarHBondContact O-N 3.28Å; D268-S271 PolarHBondContact O-OG 2.92Å; A269-S271 VanDerWaalsContact C-N 3.29Å; A269-S271 PolarHBondContact O-N 2.9Å; S271-L273 VanDerWaalsContact C-N 3.34Å; S271-G274 WeakPolarHBondContact O-CA 3.42Å; S271-G274 PolarHBondContact O-N 3.22Å; S271-G274 VanDerWaalsContact O-N 3.13Å; S271-A275 PolarHBondContact O-N 3.34Å
272C92.4Very high87.3Confident0 Ų044.2 Ų44.20%021%0.208CC..Hα-helixtrans-63.6-41.5169.8-59.40000111A137 N139 A152 D268 A269 L270 G274 A275 I276A137-C272 HydrophobicContact CB-CB 3.91Å; A137-C272 VanDerWaalsContact CB-O 3.26Å; A137-C272 WeakPolarHBondContact CB-O 3.41Å; N139-C272 VanDerWaalsContact CB-SG 3.54Å; A152-C272 HydrophobicContact CB-CB 3.69Å; D268-C272 PolarHBondContact O-N 2.92Å; D268-C272 PolarHBondContact O-SG 3.36Å; D268-C272 VanDerWaalsContact O-SG 3.35Å; A269-C272 VanDerWaalsContact O-CB 3.31Å; A269-C272 WeakPolarHBondContact O-CB 3.42Å; A269-C272 PolarHBondContact O-N 3.48Å; A269-C272 VanDerWaalsContact O-N 3.15Å; L270-C272 VanDerWaalsContact C-N 3.34Å; C272-G274 PolarHBondContact O-N 3.12Å; C272-A275 WeakPolarHBondContact O-CB 3.31Å; C272-A275 PolarHBondContact O-N 3.45Å; C272-I276 PolarHBondContact O-N 3.11Å
273L92.1Very high87.3Confident0 Ų041.5 Ų41.50%020%0.201CC..Hα-helixtrans-61.3-35.2173-176.161.3000111.1A152 F161 V163 I238 L243 A269 L270 S271 A275 I276 I277 L294A152-L273 HydrophobicContact CB-CB 3.79Å; A152-L273 HydrophobicContact CB-CD1 4.46Å; F161-L273 HydrophobicContact CB-CD1 4.24Å; F161-L273 HydrophobicContact CB-CD2 4.29Å; F161-L273 HydrophobicContact CD1-CD1 3.62Å; F161-L273 HydrophobicContact CD2-CD2 4.36Å; F161-L273 HydrophobicContact CE1-CD1 4.04Å; F161-L273 HydrophobicContact CG-CD1 3.91Å; F161-L273 HydrophobicContact CG-CD2 4.25Å; V163-L273 HydrophobicContact CG1-CB 4.35Å; V163-L273 HydrophobicContact CG1-CD2 4.15Å; I238-L273 HydrophobicContact CD1-CB 3.95Å; I238-L273 HydrophobicContact CD1-CD2 4.26Å; I238-L273 HydrophobicContact CD1-CG 3.89Å; L243-L273 HydrophobicContact CD1-CD2 3.76Å; L243-L273 HydrophobicContact CD2-CD2 4.4Å; A269-L273 PolarHBondContact O-N 2.65Å; L270-L273 HydrophobicContact CD2-CD2 4.14Å; L270-L273 WeakPolarHBondContact O-CB 3.36Å; L270-L273 PolarHBondContact O-N 3.3Å; S271-L273 VanDerWaalsContact C-N 3.34Å; L273-A275 VanDerWaalsContact C-N 3.33Å; L273-A275 PolarHBondContact O-N 2.8Å; L273-I276 WeakPolarHBondContact O-CB 3.47Å; L273-I276 PolarHBondContact O-N 2.67Å; L273-I276 VanDerWaalsContact O-N 3.11Å; L273-I277 HydrophobicContact CD1-CG1 4.48Å; L273-I277 HydrophobicContact CG-CD1 4.2Å; L273-I277 HydrophobicContact CG-CG1 4.39Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 3.45Å; L273-L294 HydrophobicContact CD2-CD1 4.22Å
274G90.6Very high87.3Confident12 Ų1243.8 Ų43.812%0.12422%0.224CC..Hα-helixtrans-56.9-44.6173.800000113L270 S271 C272 I276 I277 K278L270-G274 PolarHBondContact O-N 3.03Å; S271-G274 WeakPolarHBondContact O-CA 3.42Å; S271-G274 PolarHBondContact O-N 3.22Å; S271-G274 VanDerWaalsContact O-N 3.13Å; C272-G274 PolarHBondContact O-N 3.12Å; G274-I276 VanDerWaalsContact C-N 3.34Å; G274-I276 PolarHBondContact O-N 2.89Å; G274-I277 PolarHBondContact O-N 3.28Å; G274-K278 WeakPolarHBondContact O-CB 3.34Å; G274-K278 PolarHBondContact O-N 3.13Å; G274-K278 VanDerWaalsContact O-N 3.11Å
275A91.6Very high87Confident0 Ų044.6 Ų44.60%023%0.233CC..Hα-helixtrans-62-41.317500000111.7L188 E233 F234 S271 C272 L273 F279L188-A275 HydrophobicContact CD1-CB 4.39Å; E233-A275 HydrophobicContact CB-CB 4.49Å; F234-A275 HydrophobicContact CD1-CB 4.2Å; F234-A275 HydrophobicContact CD2-CB 4.28Å; F234-A275 HydrophobicContact CE1-CB 4.01Å; F234-A275 HydrophobicContact CE2-CB 4.09Å; F234-A275 HydrophobicContact CG-CB 4.33Å; F234-A275 HydrophobicContact CZ-CB 3.95Å; S271-A275 PolarHBondContact O-N 3.34Å; C272-A275 WeakPolarHBondContact O-CB 3.31Å; C272-A275 PolarHBondContact O-N 3.45Å; L273-A275 VanDerWaalsContact C-N 3.33Å; L273-A275 PolarHBondContact O-N 2.8Å; A275-F279 VanDerWaalsContact O-CB 3.23Å; A275-F279 WeakPolarHBondContact O-CB 3.32Å; A275-F279 PolarHBondContact O-N 3.14Å
276I91.8Very high86.6Confident0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-63.7-50.4177-64.4174.1000111.7L135 A137 A152 C154 L188 C272 L273 G274 K278 F279 L280L135-I276 HydrophobicContact CD2-CG2 3.99Å; A137-I276 HydrophobicContact CB-CD1 3.85Å; A137-I276 HydrophobicContact CB-CG1 3.56Å; A152-I276 HydrophobicContact CB-CD1 3.8Å; C154-I276 HydrophobicContact CB-CD1 4.42Å; C154-I276 HydrophobicContact CB-CG2 3.55Å; L188-I276 HydrophobicContact CD1-CG1 4.13Å; C272-I276 PolarHBondContact O-N 3.11Å; L273-I276 WeakPolarHBondContact O-CB 3.47Å; L273-I276 PolarHBondContact O-N 2.67Å; L273-I276 VanDerWaalsContact O-N 3.11Å; G274-I276 VanDerWaalsContact C-N 3.34Å; G274-I276 PolarHBondContact O-N 2.89Å; I276-K278 PolarHBondContact O-N 3.38Å; I276-F279 PolarHBondContact O-N 3.48Å; I276-F279 VanDerWaalsContact O-N 3.16Å; I276-L280 HydrophobicContact CG2-CD1 3.74Å; I276-L280 HydrophobicContact CG2-CG 4.27Å; I276-L280 WeakPolarHBondContact O-CB 3.48Å; I276-L280 PolarHBondContact O-N 3.44Å
277I89.5Confident86Confident11 Ų1145.7 Ų45.76%0.05624%0.239CC..Hα-helixtrans-57.3-41.3-178.5-68.9-179.6000110.5I238 L243 F246 L273 G274 D281 L282I238-I277 HydrophobicContact CD1-CD1 3.59Å; I238-I277 HydrophobicContact CD1-CG1 4.49Å; L243-I277 HydrophobicContact CD1-CD1 4.05Å; F246-I277 HydrophobicContact CD2-CD1 4.07Å; F246-I277 HydrophobicContact CE2-CD1 3.88Å; F246-I277 HydrophobicContact CE2-CG2 3.82Å; F246-I277 HydrophobicContact CZ-CG2 3.71Å; L273-I277 HydrophobicContact CD1-CG1 4.48Å; L273-I277 HydrophobicContact CG-CD1 4.2Å; L273-I277 HydrophobicContact CG-CG1 4.39Å; L273-I277 WeakPolarHBondContact O-CG1 3.44Å; L273-I277 PolarHBondContact O-N 3.45Å; G274-I277 PolarHBondContact O-N 3.28Å; I277-D281 PolarHBondContact O-N 2.82Å; I277-L282 HydrophobicContact CG1-CD1 4.24Å; I277-L282 HydrophobicContact CG2-CB 4.33Å; I277-L282 PolarHBondContact O-N 3.07Å
278K89Confident85.6Confident112 Ų11239 Ų3949%0.48722%0.216SC..Hα-helixtrans-71.7-41177.9-170.3178.2178.2-161.60112.6E233 G274 I276 D281E233-K278 HydrophobicContact CB-CD 4.48Å; E233-K278 HydrophobicContact CG-CD 4.06Å; E233-K278 WeakPolarHBondContact OE1-CE 3.35Å; E233-K278 IonicContact OE1-NZ 2.78Å; E233-K278 PolarHBondContact OE1-NZ 3.27Å; E233-K278 IonicContact OE2-NZ 3.11Å; G274-K278 WeakPolarHBondContact O-CB 3.34Å; G274-K278 PolarHBondContact O-N 3.13Å; G274-K278 VanDerWaalsContact O-N 3.11Å; I276-K278 PolarHBondContact O-N 3.38Å; K278-D281 PolarHBondContact O-N 2.95Å
279F89Confident85.1Confident67 Ų6743.1 Ų43.129%0.29423%0.228SC..Hα-helixtrans-64.6-44.7179.5179-93.4000112.5L135 L188 T227 V229 A275 I276 D281L135-F279 HydrophobicContact CD1-CE1 4.43Å; L135-F279 HydrophobicContact CD2-CD1 3.5Å; L135-F279 HydrophobicContact CD2-CE1 3.94Å; L135-F279 HydrophobicContact CD2-CG 4.45Å; L188-F279 HydrophobicContact CD1-CB 3.56Å; L188-F279 HydrophobicContact CD1-CD1 4.29Å; L188-F279 HydrophobicContact CD1-CD2 4.29Å; L188-F279 HydrophobicContact CD1-CG 3.8Å; L188-F279 HydrophobicContact CD2-CB 4.48Å; L188-F279 HydrophobicContact CD2-CD1 4.08Å; L188-F279 HydrophobicContact CD2-CD2 3.69Å; L188-F279 HydrophobicContact CD2-CE1 4.18Å; L188-F279 HydrophobicContact CD2-CE2 3.82Å; L188-F279 HydrophobicContact CD2-CG 3.82Å; L188-F279 HydrophobicContact CD2-CZ 4.05Å; L188-F279 HydrophobicContact CG-CG 4.45Å; T227-F279 HydrophobicContact CG2-CE2 3.82Å; T227-F279 HydrophobicContact CG2-CZ 4.33Å; V229-F279 HydrophobicContact CG2-CD2 4.42Å; A275-F279 VanDerWaalsContact O-CB 3.23Å; A275-F279 WeakPolarHBondContact O-CB 3.32Å; A275-F279 PolarHBondContact O-N 3.14Å; I276-F279 PolarHBondContact O-N 3.48Å; I276-F279 VanDerWaalsContact O-N 3.16Å; F279-D281 PolarHBondContact O-N 3.1Å
280L87Confident84.5Confident20 Ų2048.5 Ų48.511%0.10525%0.249CC..THydrogen-bonded Turntrans-78.8-3.7176.5-66.5178.7000113.2D115 L135 C154 T156 I276 L282D115-L280 HydrophobicContact CB-CD2 3.68Å; L135-L280 HydrophobicContact CD2-CD1 3.97Å; L135-L280 HydrophobicContact CD2-CD2 3.71Å; L135-L280 HydrophobicContact CD2-CG 3.66Å; C154-L280 HydrophobicContact CB-CD1 4.43Å; T156-L280 HydrophobicContact CG2-CD1 3.97Å; I276-L280 HydrophobicContact CG2-CD1 3.74Å; I276-L280 HydrophobicContact CG2-CG 4.27Å; I276-L280 WeakPolarHBondContact O-CB 3.48Å; I276-L280 PolarHBondContact O-N 3.44Å; L280-L282 HydrophobicContact CB-CD2 3.69Å; L280-L282 HydrophobicContact CB-CG 3.8Å; L280-L282 HydrophobicContact CD1-CD1 4.49Å; L280-L282 HydrophobicContact CD1-CD2 4.17Å; L280-L282 HydrophobicContact CD1-CG 4.45Å; L280-L282 PolarHBondContact O-N 2.94Å
281D85.7Confident84Confident97 Ų9748.3 Ų48.352%0.51925%0.248SC..THydrogen-bonded Turntrans46.944.8-174.8-161.616.5000112.8I277 K278 F279 N283 A284I277-D281 PolarHBondContact O-N 2.82Å; K278-D281 PolarHBondContact O-N 2.95Å; F279-D281 PolarHBondContact O-N 3.1Å; D281-N283 PolarHBondContact O-N 2.76Å; D281-A284 HydrophobicContact CB-CB 4.47Å; D281-A284 WeakPolarHBondContact O-CB 3.44Å; D281-A284 PolarHBondContact O-N 2.88Å; D281-A284 WeakPolarHBondContact OD2-CB 3.46Å
282L84.5Confident83.8Confident11 Ų1148.3 Ų48.36%0.05825%0.248CC..G310 helixtrans-62.1-23-172.7-62.7-177.4000112.6F161 F246 I277 L280 A284 N288 F292F161-L282 HydrophobicContact CE1-CD1 4.03Å; F161-L282 HydrophobicContact CZ-CD1 3.85Å; F246-L282 HydrophobicContact CE1-CB 3.66Å; F246-L282 HydrophobicContact CZ-CB 4.04Å; I277-L282 HydrophobicContact CG1-CD1 4.24Å; I277-L282 HydrophobicContact CG2-CB 4.33Å; I277-L282 PolarHBondContact O-N 3.07Å; L280-L282 HydrophobicContact CB-CD2 3.69Å; L280-L282 HydrophobicContact CB-CG 3.8Å; L280-L282 HydrophobicContact CD1-CD1 4.49Å; L280-L282 HydrophobicContact CD1-CD2 4.17Å; L280-L282 HydrophobicContact CD1-CG 4.45Å; L280-L282 PolarHBondContact O-N 2.94Å; L282-A284 VanDerWaalsContact C-N 3.29Å; L282-A284 PolarHBondContact O-N 3.41Å; L282-N288 PolarHBondContact O-ND2 2.82Å; L282-F292 HydrophobicContact CD1-CE2 4.37Å; L282-F292 HydrophobicContact CD1-CZ 4.21Å
283N81.1Confident83.5Confident97 Ų9750.2 Ų50.252%0.51926%0.26SS..G310 helixtrans-66.9-25.5175.1-73.3-43.1000113.4F246 D281 S285F246-N283 WeakPolarHBondContact CZ-OD1 3.39Å; D281-N283 PolarHBondContact O-N 2.76Å; N283-S285 PolarHBondContact O-N 2.87Å
284A79Confident83.4Confident75 Ų7550.5 Ų50.562%0.6226%0.261SS*.G310 helixtrans-69.5-17.3-177.300000113.1D281 L282D281-A284 HydrophobicContact CB-CB 4.47Å; D281-A284 WeakPolarHBondContact O-CB 3.44Å; D281-A284 PolarHBondContact O-N 2.88Å; D281-A284 WeakPolarHBondContact OD2-CB 3.46Å; L282-A284 VanDerWaalsContact C-N 3.29Å; L282-A284 PolarHBondContact O-N 3.41Å
285S73.4Confident83.3Confident47 Ų4753.8 Ų53.833%0.32927%0.273SS..  trans-114.6113.8-178.7-163.90000111N283 M287 N288N283-S285 PolarHBondContact O-N 2.87Å; S285-M287 PolarHBondContact O-N 2.92Å; S285-M287 WeakPolarHBondContact OG-CB 3.35Å; S285-M287 VanDerWaalsContact OG-CG 3.3Å; S285-M287 WeakPolarHBondContact OG-CG 3.43Å; S285-M287 PolarHBondContact OG-N 3.27Å; S285-N288 PolarHBondContact O-N 2.91Å
286D74.1Confident83.3Confident127 Ų12757.3 Ų57.368%0.67929%0.291SS*.G310 helixtrans-55.6-18.2168.8-74.6-38.9000112.4Y245 N288 R289Y245-D286 PolarHBondContact OH-OD1 3.17Å; D286-N288 PolarHBondContact O-N 3.33Å; D286-R289 WeakPolarHBondContact O-CB 3.34Å; D286-R289 PolarHBondContact O-N 2.75Å
287M71.1Confident83.2Confident64 Ų6458.1 Ų58.132%0.31530%0.295SS..G310 helixtrans-65.5-21.2175.2-49.8-44.4-4600112.9S285 R289 K397S285-M287 PolarHBondContact O-N 2.92Å; S285-M287 WeakPolarHBondContact OG-CB 3.35Å; S285-M287 VanDerWaalsContact OG-CG 3.3Å; S285-M287 WeakPolarHBondContact OG-CG 3.43Å; S285-M287 PolarHBondContact OG-N 3.27Å; M287-R289 VanDerWaalsContact C-N 3.26Å; M287-R289 PolarHBondContact O-N 2.97Å; M287-K397 HydrophobicContact CB-CG 4.46Å; M287-K397 HydrophobicContact CE-CG 3.68Å; M287-K397 WeakPolarHBondContact CE-O 3.35Å; M287-K397 WeakPolarHBondContact O-CE 3.5Å; M287-K397 PolarHBondContact O-NZ 2.8Å
288N77.8Confident83.2Confident29 Ų2959.2 Ų59.216%0.15530%0.304CS..G310 helixtrans-85.6-1.8178.7-66.4-32.8000113F246 L282 S285 D286 Y290 A291 F292F246-N288 HydrophobicContact CD1-CB 4Å; F246-N288 HydrophobicContact CE1-CB 4.04Å; L282-N288 PolarHBondContact O-ND2 2.82Å; S285-N288 PolarHBondContact O-N 2.91Å; D286-N288 PolarHBondContact O-N 3.33Å; N288-Y290 PolarHBondContact O-N 2.93Å; N288-A291 WeakPolarHBondContact O-CB 3.46Å; N288-A291 PolarHBondContact O-N 2.89Å; N288-F292 HydrophobicContact CB-CE2 4.07Å
289R76.9Confident83Confident128 Ų12854.8 Ų54.848%0.48329%0.285SS..THydrogen-bonded Turntrans-66.6129.2176.9-165.9179.5175.7-175.1-3.9111.1Y245 D286 M287 A291Y245-R289 HydrophobicContact CD2-CG 4.15Å; Y245-R289 HydrophobicContact CE1-CB 4.16Å; Y245-R289 HydrophobicContact CE1-CG 4.4Å; Y245-R289 HydrophobicContact CE2-CB 4.29Å; Y245-R289 HydrophobicContact CE2-CG 3.81Å; Y245-R289 CarbonylContact O-C 3.13Å; Y245-R289 WeakPolarHBondContact O-CA 3.49Å; D286-R289 WeakPolarHBondContact O-CB 3.34Å; D286-R289 PolarHBondContact O-N 2.75Å; M287-R289 VanDerWaalsContact C-N 3.26Å; M287-R289 PolarHBondContact O-N 2.97Å; R289-A291 PolarHBondContact O-N 3.47Å; R289-A291 VanDerWaalsContact O-N 3.1Å
290Y77.4Confident82.8Confident114 Ų11459.4 Ų59.445%0.44731%0.308SS..THydrogen-bonded Turntrans46.638.3-177-46.9-57.1000113.1S244 Y245 F246 L247 R248 F249 N288S244-Y290 WeakPolarHBondContact O-CE1 3.49Å; Y245-Y290 PolarHBondContact O-N 3.21Å; F246-Y290 CarbonylContact O-C 3.56Å; F246-Y290 WeakPolarHBondContact O-CA 3.41Å; L247-Y290 WeakPolarHBondContact O-CD1 3.18Å; R248-Y290 WeakPolarHBondContact CG-O 3.41Å; F249-Y290 HydrophobicContact CD2-CD1 4.41Å; F249-Y290 HydrophobicContact CE2-CD1 4.44Å; F249-Y290 HydrophobicContact CE2-CE1 4.39Å; N288-Y290 PolarHBondContact O-N 2.93Å
291A79.6Confident82.8Confident1 Ų162.8 Ų62.81%0.00833%0.326CS..  trans-97.3-32.9-172.500000113.2Q159 F246 R248 N288 R289Q159-A291 VanDerWaalsContact CB-O 3.31Å; Q159-A291 WeakPolarHBondContact CB-O 3.18Å; Q159-A291 PolarHBondContact OE1-O 2.99Å; F246-A291 PolarHBondContact O-N 2.62Å; R248-A291 PolarHBondContact NE-O 3.49Å; R248-A291 PolarHBondContact NH2-O 3.36Å; N288-A291 WeakPolarHBondContact O-CB 3.46Å; N288-A291 PolarHBondContact O-N 2.89Å; R289-A291 PolarHBondContact O-N 3.47Å; R289-A291 VanDerWaalsContact O-N 3.1Å
292F86.2Confident83.1Confident3 Ų360 Ų601%0.01331%0.31CS..BIsolated β-bridgetrans-104.4149.9-164.7-69.8-96.2000112.3Q159 F161 F246 L247 R248 L282 N288Q159-F292 HydrophobicContact CB-CD1 4.02Å; Q159-F292 HydrophobicContact CB-CE1 4.18Å; Q159-F292 HydrophobicContact CB-CG 4.39Å; Q159-F292 CarbonylContact O-C 3.55Å; Q159-F292 WeakPolarHBondContact O-CA 3.31Å; F161-F292 AromaticContact CD1-CD1 3.94Å; F161-F292 HydrophobicContact CD1-CD1 3.94Å; F161-F292 HydrophobicContact CD1-CE1 4.41Å; F161-F292 HydrophobicContact CD2-CB 3.58Å; F161-F292 HydrophobicContact CD2-CD1 4.18Å; F161-F292 AromaticContact CD2-CG 3.99Å; F161-F292 HydrophobicContact CD2-CG 3.99Å; F161-F292 AromaticContact CE1-CD1 3.58Å; F161-F292 HydrophobicContact CE1-CD1 3.58Å; F161-F292 AromaticContact CE1-CE1 3.77Å; F161-F292 HydrophobicContact CE1-CE1 3.77Å; F161-F292 HydrophobicContact CE1-CG 4.03Å; F161-F292 HydrophobicContact CE1-CZ 4.36Å; F161-F292 HydrophobicContact CE2-CB 3.39Å; F161-F292 AromaticContact CE2-CD1 3.85Å; F161-F292 HydrophobicContact CE2-CD1 3.85Å; F161-F292 AromaticContact CE2-CD2 3.9Å; F161-F292 HydrophobicContact CE2-CD2 3.9Å; F161-F292 AromaticContact CE2-CG 3.44Å; F161-F292 HydrophobicContact CE2-CG 3.44Å; F161-F292 VanDerWaalsContact CE2-CG 3.44Å; F161-F292 HydrophobicContact CG-CB 4.3Å; F161-F292 HydrophobicContact CG-CD1 4.23Å; F161-F292 HydrophobicContact CG-CG 4.49Å; F161-F292 HydrophobicContact CZ-CB 3.98Å; F161-F292 AromaticContact CZ-CD1 3.53Å; F161-F292 HydrophobicContact CZ-CD1 3.53Å; F161-F292 AromaticContact CZ-CD2 3.73Å; F161-F292 HydrophobicContact CZ-CD2 3.73Å; F161-F292 AromaticContact CZ-CE1 3.9Å; F161-F292 HydrophobicContact CZ-CE1 3.9Å; F161-F292 HydrophobicContact CZ-CE2 4.09Å; F161-F292 AromaticContact CZ-CG 3.46Å; F161-F292 HydrophobicContact CZ-CG 3.46Å; F161-F292 VanDerWaalsContact CZ-CG 3.46Å; F161-F292 HydrophobicContact CZ-CZ 4.18Å; F246-F292 HydrophobicContact CB-CD2 4.27Å; F246-F292 PolarHBondContact O-N 3.13Å; L247-F292 CarbonylContact C-O 3.5Å; L247-F292 VanDerWaalsContact CA-O 3.31Å; L247-F292 WeakPolarHBondContact CA-O 3.36Å; R248-F292 PolarHBondContact N-O 3.03Å; L282-F292 HydrophobicContact CD1-CE2 4.37Å; L282-F292 HydrophobicContact CD1-CZ 4.21Å; N288-F292 HydrophobicContact CB-CE2 4.07Å
293T86.7Confident83.4Confident40 Ų4059.5 Ų59.525%0.24531%0.307CS..EExtended strand (participates in β ladder)trans-98.5152.7162.157.30000109.6Q159 F161Q159-T293 PolarHBondContact O-N 3.39Å; F161-T293 PolarHBondContact N-O 3.4Å
294L89.4Confident83.9Confident5 Ų556.8 Ų56.83%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-117.1127.8174.5-177.768.6000108.8F161 V163 L243 L247 Y260 E263 L273F161-L294 HydrophobicContact CB-CD1 3.61Å; F161-L294 WeakPolarHBondContact O-CA 3.34Å; V163-L294 HydrophobicContact CG1-CD1 4Å; V163-L294 HydrophobicContact CG2-CD1 3.94Å; V163-L294 HydrophobicContact CG2-CG 4.44Å; L243-L294 HydrophobicContact CD2-CD2 3.82Å; L247-L294 HydrophobicContact CD1-CB 4.35Å; L247-L294 HydrophobicContact CD1-CD2 4.24Å; L247-L294 HydrophobicContact CD2-CB 3.66Å; Y260-L294 HydrophobicContact CD1-CB 3.89Å; Y260-L294 HydrophobicContact CD1-CD2 4.3Å; Y260-L294 HydrophobicContact CD1-CG 4.47Å; Y260-L294 HydrophobicContact CE1-CB 3.82Å; Y260-L294 WeakPolarHBondContact CE1-O 3.37Å; Y260-L294 HydrophobicContact CG-CD2 4.46Å; E263-L294 HydrophobicContact CB-CD2 3.57Å; E263-L294 HydrophobicContact CB-CG 4.09Å; E263-L294 HydrophobicContact CG-CD2 3.93Å; E263-L294 HydrophobicContact CG-CG 3.93Å; L273-L294 HydrophobicContact CD2-CD1 4.22Å
295E89.3Confident84.3Confident82 Ų8253.2 Ų53.238%0.38326%0.26SS..EExtended strand (participates in β ladder)trans-135156.4176.4-60.9173.7-147.900111.3K160 F161 L162 V163K160-E295 WeakPolarHBondContact CE-OE1 3.31Å; K160-E295 WeakPolarHBondContact CE-OE2 3.26Å; K160-E295 IonicContact NZ-OE1 2.76Å; K160-E295 PolarHBondContact NZ-OE1 3.28Å; K160-E295 IonicContact NZ-OE2 3.91Å; K160-E295 PolarHBondContact NZ-OE2 3.03Å; F161-E295 PolarHBondContact O-N 3.41Å; L162-E295 WeakPolarHBondContact CA-O 2.78Å; L162-E295 HydrophobicContact CD2-CB 3.7Å; V163-E295 PolarHBondContact N-O 3.49Å
296I90.8Very high84.4Confident73 Ų7351.9 Ų51.937%0.37425%0.249SC..EExtended strand (participates in β ladder)trans-82.7126175.5-57.8178.5000109.4V163 K262 E263 L266V163-I296 CarbonylContact O-C 3.58Å; V163-I296 WeakPolarHBondContact O-CA 3.48Å; K262-I296 HydrophobicContact CB-CD1 3.71Å; E263-I296 HydrophobicContact CG-CD1 4.23Å; E263-I296 HydrophobicContact CG-CG1 3.67Å; L266-I296 HydrophobicContact CD1-CG2 4.3Å
297F90Very high84.6Confident17 Ų1746.2 Ų46.28%0.07522%0.219CC..  trans-83.2124.5169.3179.6-103.6000110L151 L162 V163 A178 Q181 L182 L299L151-F297 HydrophobicContact CD2-CD1 3.99Å; L151-F297 HydrophobicContact CD2-CE1 4.16Å; L162-F297 HydrophobicContact CB-CB 4.33Å; V163-F297 PolarHBondContact O-N 3.31Å; A178-F297 HydrophobicContact CB-CE1 3.67Å; A178-F297 HydrophobicContact CB-CZ 4.04Å; Q181-F297 HydrophobicContact CB-CZ 4.43Å; L182-F297 HydrophobicContact CD1-CD2 4.37Å; L182-F297 HydrophobicContact CD1-CE2 4.26Å; L182-F297 HydrophobicContact CD1-CZ 4.35Å; L182-F297 HydrophobicContact CD2-CD2 3.7Å; L182-F297 HydrophobicContact CD2-CE2 3.63Å; L182-F297 HydrophobicContact CD2-CZ 4.44Å; L182-F297 HydrophobicContact CG-CD2 4.2Å; L182-F297 HydrophobicContact CG-CE2 3.8Å; L182-F297 HydrophobicContact CG-CZ 4.12Å; F297-L299 HydrophobicContact CE1-CD2 3.71Å; F297-L299 HydrophobicContact CE1-CG 3.9Å; F297-L299 HydrophobicContact CZ-CD2 3.75Å; F297-L299 HydrophobicContact CZ-CG 4.36Å
298S88.1Confident84.9Confident35 Ų3543.6 Ų43.625%0.24521%0.208CC..  trans-127.9132.8174.7174.70000110.8E300S298-E300 VanDerWaalsContact C-N 3.3Å; S298-E300 PolarHBondContact OG-N 2.88Å
299L85.8Confident85.1Confident18 Ų1842.2 Ų42.29%0.09420%0.201CC..SBendtrans-76.6-17.4174.3-70.8170.8000112.7F166 N174 T177 A178 F297 N301 H302F166-L299 HydrophobicContact CB-CD1 4.49Å; F166-L299 HydrophobicContact CD1-CD1 3.92Å; F166-L299 HydrophobicContact CD2-CD1 4.14Å; F166-L299 HydrophobicContact CE1-CD1 4.15Å; F166-L299 HydrophobicContact CE2-CD1 4.36Å; F166-L299 HydrophobicContact CG-CD1 3.92Å; F166-L299 HydrophobicContact CZ-CD1 4.37Å; N174-L299 HydrophobicContact CB-CD1 3.7Å; T177-L299 HydrophobicContact CG2-CD2 3.93Å; A178-L299 HydrophobicContact CB-CD2 4.1Å; F297-L299 HydrophobicContact CE1-CD2 3.71Å; F297-L299 HydrophobicContact CE1-CG 3.9Å; F297-L299 HydrophobicContact CZ-CD2 3.75Å; F297-L299 HydrophobicContact CZ-CG 4.36Å; L299-N301 VanDerWaalsContact C-N 3.34Å; L299-N301 PolarHBondContact O-N 3.45Å; L299-H302 VanDerWaalsContact O-O 3.09Å
300E85.6Confident85.3Confident164 Ų16437.1 Ų37.177%0.76618%0.184SC*.THydrogen-bonded Turntrans-76.6-20.4-172-60.9178.217000113.4S298 I353S298-E300 VanDerWaalsContact C-N 3.3Å; S298-E300 PolarHBondContact OG-N 2.88Å; E300-I353 WeakPolarHBondContact O-CD1 3.44Å
301N85.9Confident85.5Confident92 Ų9236.4 Ų36.449%0.49218%0.181SC..THydrogen-bonded Turntrans-84.4-15.7-175.7-69.2-33.9000113.6L299 I353L299-N301 VanDerWaalsContact C-N 3.34Å; L299-N301 PolarHBondContact O-N 3.45Å; N301-I353 PolarHBondContact O-N 3.05Å
302H91.6Very high85.5Confident39 Ų3936.9 Ų36.918%0.18119%0.185CC..BIsolated β-bridgetrans-131.5151.1-171.1-55.3104.5000111.1L299 R304 Q350 P351 I353L299-H302 VanDerWaalsContact O-O 3.09Å; H302-R304 PolarHBondContact O-N 3.24Å; H302-Q350 HydrophobicContact CB-CB 4.31Å; H302-P351 CarbonylContact C-O 3.54Å; H302-P351 WeakPolarHBondContact CA-O 3.09Å; H302-I353 VanDerWaalsContact C-CD1 3.45Å; H302-I353 WeakPolarHBondContact O-CD1 3.38Å
303V92.2Very high85.6Confident0 Ų036.9 Ų36.90%019%0.185CC..  trans-59.1129.2176.9-179.40000110.1Q181 L305 P351 I353 V710 D711 I713Q181-V303 PolarHBondContact NE2-O 3.32Å; Q181-V303 VanDerWaalsContact NE2-O 3.11Å; V303-L305 HydrophobicContact CG1-CD2 4.22Å; V303-L305 HydrophobicContact CG1-CG 4.4Å; V303-L305 PolarHBondContact O-N 3.44Å; V303-P351 HydrophobicContact CB-CB 4.01Å; V303-P351 HydrophobicContact CB-CG 4.11Å; V303-P351 HydrophobicContact CG2-CB 3.73Å; V303-P351 HydrophobicContact CG2-CG 4.37Å; V303-P351 PolarHBondContact N-O 2.69Å; V303-I353 HydrophobicContact CG2-CG1 4.1Å; V303-V710 HydrophobicContact CG1-CG2 4.47Å; V303-V710 WeakPolarHBondContact CG2-O 3.2Å; V303-D711 WeakPolarHBondContact CA-O 3.46Å; V303-I713 HydrophobicContact CG1-CB 4.48Å; V303-I713 HydrophobicContact CG1-CD1 4.3Å; V303-I713 HydrophobicContact CG1-CG1 3.97Å
304R90.5Very high85.6Confident39 Ų3939.8 Ų39.815%0.14720%0.196CC..EExtended strand (participates in β ladder)trans-73120.7172.7-60.7-178.3-71.2150.23.1109.2T177 H302 D711 A712 I713 S743T177-R304 HydrophobicContact CG2-CB 3.88Å; T177-R304 HydrophobicContact CG2-CG 4.07Å; H302-R304 PolarHBondContact O-N 3.24Å; R304-D711 IonicContact CZ-OD2 3.5Å; R304-D711 PolarHBondContact N-O 3.05Å; R304-D711 IonicContact NH2-OD2 3.89Å; R304-D711 PolarHBondContact NH2-OD2 2.91Å; R304-A712 HydrophobicContact CB-CB 3.87Å; R304-A712 VanDerWaalsContact O-CA 3.31Å; R304-A712 WeakPolarHBondContact O-CA 3.01Å; R304-I713 PolarHBondContact O-N 3.07Å; R304-S743 PolarHBondContact NH1-O 3.03Å; R304-S743 PolarHBondContact NH2-O 3.11Å
305L87.3Confident85.6Confident0 Ų039.6 Ų39.60%020%0.195CC..EExtended strand (participates in β ladder)trans-124.2121.1176.6-64.8174.1000107.4V303 L315 P351 I713V303-L305 HydrophobicContact CG1-CD2 4.22Å; V303-L305 HydrophobicContact CG1-CG 4.4Å; V303-L305 PolarHBondContact O-N 3.44Å; L305-L315 HydrophobicContact CD1-CD1 3.85Å; L305-P351 HydrophobicContact CD1-CG 4.17Å; L305-I713 HydrophobicContact CD2-CB 3.71Å; L305-I713 HydrophobicContact CD2-CD1 4.36Å; L305-I713 HydrophobicContact CD2-CG1 4.41Å
306D75.8Confident85.5Confident20 Ų2037.5 Ų37.511%0.10719%0.186CC..  trans-80.1169.7170.659.715.6000110.9A308 A309 S310D306-A308 PolarHBondContact O-N 2.97Å; D306-A309 PolarHBondContact O-N 3.18Å; D306-A309 WeakPolarHBondContact OD1-CA 3.48Å; D306-A309 WeakPolarHBondContact OD1-CB 3.4Å; D306-A309 PolarHBondContact OD1-N 3.41Å; D306-S310 WeakPolarHBondContact O-CB 3.38Å; D306-S310 PolarHBondContact O-N 3.1Å
307S77.8Confident85Confident7 Ų737.1 Ų37.15%0.04919%0.188CC..Hα-helixtrans-65.4-27.8179.770.70000112E176 R311E176-S307 WeakPolarHBondContact OE1-CB 3.44Å; E176-S307 PolarHBondContact OE1-N 2.91Å; E176-S307 PolarHBondContact OE1-OG 3.18Å; S307-R311 WeakPolarHBondContact O-CB 3.5Å; S307-R311 WeakPolarHBondContact O-CG 3.29Å; S307-R311 PolarHBondContact O-N 3.3Å; S307-R311 PolarHBondContact O-NE 2.97Å; S307-R311 VanDerWaalsContact O-NE 3.16Å
308A77.3Confident84.3Confident9 Ų937.9 Ų37.97%0.07420%0.201CC..Hα-helixtrans-69.5-47.3177.700000110.9D306 R311 A312 A715D306-A308 PolarHBondContact O-N 2.97Å; A308-R311 PolarHBondContact O-N 3.48Å; A308-A312 WeakPolarHBondContact O-CB 3.4Å; A308-A312 PolarHBondContact O-N 3.05Å; A308-A715 WeakPolarHBondContact CB-O 3.46Å
309A82.5Confident83.2Confident0 Ų041.1 Ų41.10%022%0.221CC..Hα-helixtrans-65-46.3175.600000111.9D306 R311 A312 L313 I713 A715D306-A309 PolarHBondContact O-N 3.18Å; D306-A309 WeakPolarHBondContact OD1-CA 3.48Å; D306-A309 WeakPolarHBondContact OD1-CB 3.4Å; D306-A309 PolarHBondContact OD1-N 3.41Å; A309-R311 VanDerWaalsContact C-N 3.26Å; A309-R311 PolarHBondContact O-N 3.28Å; A309-A312 PolarHBondContact O-N 2.97Å; A309-L313 HydrophobicContact CB-CD1 4.44Å; A309-L313 VanDerWaalsContact O-CB 3.25Å; A309-L313 WeakPolarHBondContact O-CB 3.47Å; A309-L313 WeakPolarHBondContact O-CG 3.37Å; A309-L313 PolarHBondContact O-N 3.08Å; A309-I713 WeakPolarHBondContact CB-O 3.48Å; A309-A715 VanDerWaalsContact CA-CB 3.5Å; A309-A715 HydrophobicContact CB-CB 3.68Å
310S82.2Confident82.4Confident21 Ų2146.2 Ų46.215%0.14725%0.248CC..Hα-helixtrans-57-42.1178.2-175.50000111.9D306 L315D306-S310 WeakPolarHBondContact O-CB 3.38Å; D306-S310 PolarHBondContact O-N 3.1Å; S310-L315 PolarHBondContact O-N 3.3Å
311R80.2Confident81.7Confident100 Ų10040.9 Ų40.938%0.37723%0.225SC..Hα-helixtrans-72.2-51.3174.2-74.8-176.5-71.9152.3-2.4112.2S307 A308 A309 L313 H314 D721S307-R311 WeakPolarHBondContact O-CB 3.5Å; S307-R311 WeakPolarHBondContact O-CG 3.29Å; S307-R311 PolarHBondContact O-N 3.3Å; S307-R311 PolarHBondContact O-NE 2.97Å; S307-R311 VanDerWaalsContact O-NE 3.16Å; A308-R311 PolarHBondContact O-N 3.48Å; A309-R311 VanDerWaalsContact C-N 3.26Å; A309-R311 PolarHBondContact O-N 3.28Å; R311-L313 VanDerWaalsContact C-N 3.26Å; R311-L313 PolarHBondContact O-N 3.49Å; R311-H314 PolarHBondContact O-CD2 3.27Å; R311-H314 PolarHBondContact O-N 3.31Å; R311-D721 IonicContact NH1-OD2 3.1Å; R311-D721 PolarHBondContact NH1-OD2 2.92Å
312A81Confident81.1Confident11 Ų1146.3 Ų46.39%0.09124%0.244CC..Hα-helixtrans-54.7-41.5-177.700000113.6A308 A309 H314 H685 A715 V717A308-A312 WeakPolarHBondContact O-CB 3.4Å; A308-A312 PolarHBondContact O-N 3.05Å; A309-A312 PolarHBondContact O-N 2.97Å; A312-H314 PolarHBondContact O-N 3.29Å; A312-H685 PolarHBondContact O-CE1 2.69Å; A312-H685 PolarHBondContact O-ND1 2.78Å; A312-A715 HydrophobicContact CB-CB 4.12Å; A312-V717 HydrophobicContact CB-CB 3.7Å; A312-V717 HydrophobicContact CB-CG1 4.07Å; A312-V717 HydrophobicContact CB-CG2 3.39Å
313L86.7Confident80.6Confident2 Ų247.8 Ų47.81%0.0125%0.253CS..THydrogen-bonded Turntrans-81.9-5-177.9-60.1177.1000112.6A309 R311 L315 A688 V689 I713 I751A309-L313 HydrophobicContact CB-CD1 4.44Å; A309-L313 VanDerWaalsContact O-CB 3.25Å; A309-L313 WeakPolarHBondContact O-CB 3.47Å; A309-L313 WeakPolarHBondContact O-CG 3.37Å; A309-L313 PolarHBondContact O-N 3.08Å; R311-L313 VanDerWaalsContact C-N 3.26Å; R311-L313 PolarHBondContact O-N 3.49Å; L313-L315 HydrophobicContact CB-CD2 3.96Å; L313-L315 HydrophobicContact CB-CG 3.82Å; L313-L315 HydrophobicContact CD1-CD1 4.4Å; L313-L315 HydrophobicContact CD1-CG 4.47Å; L313-L315 PolarHBondContact O-N 3.2Å; L313-L315 VanDerWaalsContact O-N 3.14Å; L313-A688 HydrophobicContact CD1-CB 4.1Å; L313-A688 HydrophobicContact CD2-CB 3.38Å; L313-A688 HydrophobicContact CG-CB 4.39Å; L313-V689 HydrophobicContact CB-CG2 4.06Å; L313-V689 HydrophobicContact CD2-CG2 4.15Å; L313-I713 HydrophobicContact CD1-CG2 3.84Å; L313-I751 HydrophobicContact CD2-CD1 3.74Å
314H87.4Confident80.1Confident101 Ų10152.5 Ų52.547%0.46827%0.274SS..THydrogen-bonded Turntrans42.845.2-171.6-62.4164.1000111.8R311 A312 L316 H326 S327 V328R311-H314 PolarHBondContact O-CD2 3.27Å; R311-H314 PolarHBondContact O-N 3.31Å; A312-H314 PolarHBondContact O-N 3.29Å; H314-L316 PolarHBondContact O-N 2.97Å; H314-H326 WeakPolarHBondContact CB-O 3.23Å; H314-S327 CarbonylContact O-C 3.55Å; H314-S327 WeakPolarHBondContact O-CA 3.42Å; H314-S327 VanDerWaalsContact O-CB 3.28Å; H314-S327 WeakPolarHBondContact O-CB 3.39Å; H314-V328 PolarHBondContact O-N 2.85Å
315L88.9Confident79.9Confident1 Ų153.4 Ų53.41%0.00528%0.279CS..  trans-62.7-38.7-178.5-66-178.2000110.8L305 S310 L313 V328 Y329 A692L305-L315 HydrophobicContact CD1-CD1 3.85Å; S310-L315 PolarHBondContact O-N 3.3Å; L313-L315 HydrophobicContact CB-CD2 3.96Å; L313-L315 HydrophobicContact CB-CG 3.82Å; L313-L315 HydrophobicContact CD1-CD1 4.4Å; L313-L315 HydrophobicContact CD1-CG 4.47Å; L313-L315 PolarHBondContact O-N 3.2Å; L313-L315 VanDerWaalsContact O-N 3.14Å; L315-V328 HydrophobicContact CD2-CB 4.31Å; L315-V328 HydrophobicContact CD2-CG2 3.99Å; L315-Y329 VanDerWaalsContact O-CB 3.26Å; L315-Y329 WeakPolarHBondContact O-CB 3.44Å; L315-Y329 PolarHBondContact O-N 3.37Å; L315-A692 HydrophobicContact CD2-CB 4.25Å
316L86.9Confident79.8Confident39 Ų3956.4 Ų56.420%0.20429%0.293CS..SBendtrans-116154.1175.4-64.3174.9000109.9H314 Y329 A345 L348 R349H314-L316 PolarHBondContact O-N 2.97Å; L316-Y329 HydrophobicContact CD2-CD2 4.37Å; L316-Y329 HydrophobicContact CD2-CG 4.29Å; L316-A345 HydrophobicContact CD2-CB 4.05Å; L316-L348 HydrophobicContact CD2-CB 4.42Å; L316-L348 HydrophobicContact CD2-CD1 4.47Å; L316-R349 HydrophobicContact CD1-CG 3.64Å
317P81.7Confident80.6Confident64 Ų6455.6 Ų55.642%0.41629%0.289SS..  trans-65.5137.9178.627.5-34.9000111.5D321 Y329P317-D321 HydrophobicContact CB-CB 4.45Å; P317-Y329 HydrophobicContact CG-CD1 4.18Å
318G74.3Confident81.3Confident33 Ų3355.3 Ų55.334%0.3429%0.287SS..  trans-78.1166.917100000112.9D320 D321G318-D320 PolarHBondContact O-N 3Å; G318-D320 VanDerWaalsContact O-N 3.12Å; G318-D321 PolarHBondContact N-OD2 2.96Å; G318-D321 PolarHBondContact O-N 3.3Å
319P66.2Low82.1Confident103 Ų10356.2 Ų56.267%0.66929%0.288SS*.THydrogen-bonded Turntrans-64.4-17-17724.8-34.1000115K85K85-P319 PolarHBondContact NZ-O 2.97Å
320D68.3Low82.5Confident126 Ų12656.4 Ų56.467%0.67429%0.29SS*.THydrogen-bonded Turntrans-114.95.3-177.5-63.6-33000113.2K85 G318 K322K85-D320 IonicContact NZ-OD1 2.59Å; K85-D320 PolarHBondContact NZ-OD1 2.91Å; K85-D320 VanDerWaalsContact NZ-OD1 3.11Å; G318-D320 PolarHBondContact O-N 3Å; G318-D320 VanDerWaalsContact O-N 3.12Å; D320-K322 PolarHBondContact O-N 3.37Å
321D70.4Confident83Confident52 Ų5255.9 Ų55.928%0.27829%0.287SS..  trans-70.8110.7176.2-81.1-32.4000111.2P317 G318 H326P317-D321 HydrophobicContact CB-CB 4.45Å; G318-D321 PolarHBondContact N-OD2 2.96Å; G318-D321 PolarHBondContact O-N 3.3Å; D321-H326 HydrophobicContact CB-CB 4.48Å; D321-H326 WeakPolarHBondContact OD1-CB 3.45Å; D321-H326 IonicContact OD1-CG 3.49Å; D321-H326 IonicContact OD1-ND1 2.64Å; D321-H326 PolarHBondContact OD1-ND1 3.38Å
322K73.9Confident83.7Confident206 Ų20651.1 Ų51.190%0.89627%0.269SS*.  trans-86.3-26.7176-63-178.8-176.61750113D320D320-K322 PolarHBondContact O-N 3.37Å
323N81.7Confident84.3Confident69 Ų6951.3 Ų51.337%0.36927%0.268SS..SBendtrans-105.8132.5-176-167.8-5.1000110.2F325 H326N323-F325 PolarHBondContact O-N 2.63Å; N323-F325 PolarHBondContact OD1-N 3.34Å; N323-H326 PolarHBondContact O-N 3.09Å
324K82.1Confident84.7Confident99 Ų9953.2 Ų53.243%0.4328%0.278SS..G310 helixtrans-54.7-40.1176.9179.6175.9169.6179.60111.2H326 G330 N333K324-H326 PolarHBondContact O-N 2.91Å; K324-G330 WeakPolarHBondContact CE-O 3.49Å; K324-G330 WeakPolarHBondContact CG-O 3.43Å; K324-G330 VanDerWaalsContact O-CA 3.24Å; K324-G330 WeakPolarHBondContact O-CA 3.32Å; K324-N333 VanDerWaalsContact CE-O 3.23Å; K324-N333 WeakPolarHBondContact CE-O 3.32Å; K324-N333 PolarHBondContact NZ-O 2.85Å
325F85.2Confident85.1Confident58 Ų5848.9 Ų48.925%0.25426%0.259SS..G310 helixtrans-797.2-175.2-52.5-61.3000115.1N323 S327 C646 M649N323-F325 PolarHBondContact O-N 2.63Å; N323-F325 PolarHBondContact OD1-N 3.34Å; F325-S327 VanDerWaalsContact C-N 3.33Å; F325-C646 VanDerWaalsContact O-CB 3.26Å; F325-C646 WeakPolarHBondContact O-CB 3.41Å; F325-M649 HydrophobicContact CB-CB 3.96Å; F325-M649 HydrophobicContact CD1-CB 3.55Å; F325-M649 HydrophobicContact CD1-CE 4.28Å; F325-M649 HydrophobicContact CD1-CG 4.06Å; F325-M649 HydrophobicContact CD2-CB 4.4Å; F325-M649 HydrophobicContact CE1-CB 4.12Å; F325-M649 HydrophobicContact CE1-CE 3.68Å; F325-M649 HydrophobicContact CE1-CG 4.39Å; F325-M649 HydrophobicContact CG-CB 3.72Å; F325-M649 HydrophobicContact CZ-CE 4.04Å
326H86.3Confident85.4Confident64 Ų6454 Ų5430%0.29628%0.278SS..G310 helixtrans-76.7-23.4171.7-67.9171.7000113H314 D321 N323 K324H314-H326 WeakPolarHBondContact CB-O 3.23Å; D321-H326 HydrophobicContact CB-CB 4.48Å; D321-H326 WeakPolarHBondContact OD1-CB 3.45Å; D321-H326 IonicContact OD1-CG 3.49Å; D321-H326 IonicContact OD1-ND1 2.64Å; D321-H326 PolarHBondContact OD1-ND1 3.38Å; N323-H326 PolarHBondContact O-N 3.09Å; K324-H326 PolarHBondContact O-N 2.91Å
327S91.2Very high85.7Confident3 Ų352.3 Ų52.32%0.02127%0.27CS..SBendtrans-115.1154.3-179.564.60000112.4H314 F325 Y329 G330 T331H314-S327 CarbonylContact O-C 3.55Å; H314-S327 WeakPolarHBondContact O-CA 3.42Å; H314-S327 VanDerWaalsContact O-CB 3.28Å; H314-S327 WeakPolarHBondContact O-CB 3.39Å; F325-S327 VanDerWaalsContact C-N 3.33Å; S327-Y329 VanDerWaalsContact C-N 3.32Å; S327-G330 PolarHBondContact O-N 3.43Å; S327-G330 PolarHBondContact OG-N 3.35Å; S327-G330 VanDerWaalsContact OG-N 3.08Å; S327-T331 PolarHBondContact O-N 3.48Å; S327-T331 PolarHBondContact O-OG1 3.46Å; S327-T331 VanDerWaalsContact O-OG1 3.04Å
328V93Very high86.1Confident0 Ų050.4 Ų50.40%026%0.259CS..Hα-helixtrans-64.1-41.8174.7-177.40000109.9H314 L315 G330 T331 L332 L348 C646 V689 M693H314-V328 PolarHBondContact O-N 2.85Å; L315-V328 HydrophobicContact CD2-CB 4.31Å; L315-V328 HydrophobicContact CD2-CG2 3.99Å; V328-G330 VanDerWaalsContact C-N 3.34Å; V328-G330 PolarHBondContact O-N 3.03Å; V328-T331 WeakPolarHBondContact O-CB 3.32Å; V328-T331 PolarHBondContact O-N 3.43Å; V328-T331 VanDerWaalsContact O-N 3.1Å; V328-L332 HydrophobicContact CG1-CD1 3.81Å; V328-L332 HydrophobicContact CG1-CG 4.19Å; V328-L332 WeakPolarHBondContact O-CG 3.46Å; V328-L332 PolarHBondContact O-N 3.41Å; V328-L348 HydrophobicContact CG1-CD2 4.03Å; V328-C646 PolarHBondContact N-SG 3.17Å; V328-V689 HydrophobicContact CG1-CG1 4.35Å; V328-V689 HydrophobicContact CG2-CB 4.48Å; V328-V689 HydrophobicContact CG2-CG1 3.55Å; V328-V689 HydrophobicContact CG2-CG2 4.06Å; V328-M693 HydrophobicContact CG1-CG 4.05Å; V328-M693 HydrophobicContact CG1-SD 4.22Å
329Y93.7Very high86.9Confident28 Ų2849 Ų4911%0.1124%0.244CC..Hα-helixtrans-52.2-51.5171.9174.2-104.6000111.8L315 L316 P317 S327 T331 L332 N333 Q341 L344 A345 L348L315-Y329 VanDerWaalsContact O-CB 3.26Å; L315-Y329 WeakPolarHBondContact O-CB 3.44Å; L315-Y329 PolarHBondContact O-N 3.37Å; L316-Y329 HydrophobicContact CD2-CD2 4.37Å; L316-Y329 HydrophobicContact CD2-CG 4.29Å; P317-Y329 HydrophobicContact CG-CD1 4.18Å; S327-Y329 VanDerWaalsContact C-N 3.32Å; Y329-T331 VanDerWaalsContact C-N 3.3Å; Y329-T331 PolarHBondContact O-N 2.83Å; Y329-L332 PolarHBondContact O-N 2.94Å; Y329-N333 HydrophobicContact CD2-CB 4.38Å; Y329-N333 HydrophobicContact CE1-CB 4.4Å; Y329-N333 WeakPolarHBondContact CE1-ND2 3.47Å; Y329-N333 HydrophobicContact CE2-CB 4.21Å; Y329-N333 WeakPolarHBondContact O-CA 3.48Å; Y329-N333 WeakPolarHBondContact O-CB 3.39Å; Y329-N333 PolarHBondContact O-N 3.2Å; Y329-N333 PolarHBondContact OH-ND2 3.35Å; Y329-Q341 WeakPolarHBondContact OH-CB 3.49Å; Y329-Q341 PolarHBondContact OH-O 3.34Å; Y329-L344 HydrophobicContact CD2-CD2 4.15Å; Y329-L344 HydrophobicContact CD2-CG 4.07Å; Y329-L344 HydrophobicContact CE2-CB 4.31Å; Y329-L344 HydrophobicContact CE2-CD2 4.19Å; Y329-L344 HydrophobicContact CE2-CG 4.18Å; Y329-A345 HydrophobicContact CD2-CB 4.06Å; Y329-A345 HydrophobicContact CE2-CB 3.7Å; Y329-L348 VanDerWaalsContact CA-CD1 3.49Å; Y329-L348 HydrophobicContact CD2-CD1 3.99Å; Y329-L348 HydrophobicContact CG-CD1 4.34Å
330G91.6Very high88.2Confident4 Ų444.1 Ų44.14%0.04121%0.212CC..Hα-helixtrans-64.8-35.417900000112.5K324 S327 V328 L332K324-G330 WeakPolarHBondContact CE-O 3.49Å; K324-G330 WeakPolarHBondContact CG-O 3.43Å; K324-G330 VanDerWaalsContact O-CA 3.24Å; K324-G330 WeakPolarHBondContact O-CA 3.32Å; S327-G330 PolarHBondContact O-N 3.43Å; S327-G330 PolarHBondContact OG-N 3.35Å; S327-G330 VanDerWaalsContact OG-N 3.08Å; V328-G330 VanDerWaalsContact C-N 3.34Å; V328-G330 PolarHBondContact O-N 3.03Å; G330-L332 PolarHBondContact O-N 3.33Å
331T92.3Very high89.3Confident11 Ų1140.5 Ų40.57%0.06719%0.191CC..Hα-helixtrans-64-40.9175.3-57.30000112.7S327 V328 Y329 P645 M649S327-T331 PolarHBondContact O-N 3.48Å; S327-T331 PolarHBondContact O-OG1 3.46Å; S327-T331 VanDerWaalsContact O-OG1 3.04Å; V328-T331 WeakPolarHBondContact O-CB 3.32Å; V328-T331 PolarHBondContact O-N 3.43Å; V328-T331 VanDerWaalsContact O-N 3.1Å; Y329-T331 VanDerWaalsContact C-N 3.3Å; Y329-T331 PolarHBondContact O-N 2.83Å; T331-P645 HydrophobicContact CG2-CB 4.19Å; T331-M649 HydrophobicContact CG2-CG 3.9Å
332L94.9Very high90.2Very high0 Ų039.5 Ų39.50%018%0.183CC..Hα-helixtrans-87.9-21.9-177-62.2-178.6000114.1V328 Y329 G330 N334 L344 L348 S611 L612 A615 M693 I696V328-L332 HydrophobicContact CG1-CD1 3.81Å; V328-L332 HydrophobicContact CG1-CG 4.19Å; V328-L332 WeakPolarHBondContact O-CG 3.46Å; V328-L332 PolarHBondContact O-N 3.41Å; Y329-L332 PolarHBondContact O-N 2.94Å; G330-L332 PolarHBondContact O-N 3.33Å; L332-N334 PolarHBondContact O-N 3.23Å; L332-N334 VanDerWaalsContact O-N 3.1Å; L332-L344 HydrophobicContact CB-CD2 4.3Å; L332-L348 HydrophobicContact CD1-CD2 4.44Å; L332-S611 PolarHBondContact O-OG 3.41Å; L332-L612 HydrophobicContact CB-CD2 4.1Å; L332-L612 HydrophobicContact CD1-CD2 4.08Å; L332-L612 HydrophobicContact CD2-CD2 4.35Å; L332-L612 HydrophobicContact CG-CD2 4.41Å; L332-A615 HydrophobicContact CD2-CB 3.9Å; L332-M693 HydrophobicContact CD1-CE 4.49Å; L332-M693 HydrophobicContact CD1-CG 4.26Å; L332-M693 HydrophobicContact CD2-CE 3.92Å; L332-I696 HydrophobicContact CD1-CD1 3.78Å
333N94.2Very high91.1Very high15 Ų1531.2 Ų31.28%0.0815%0.148CC..  trans-80.794.7-172.3-176.26.9000112.2K324 Y329 C335 L344K324-N333 VanDerWaalsContact CE-O 3.23Å; K324-N333 WeakPolarHBondContact CE-O 3.32Å; K324-N333 PolarHBondContact NZ-O 2.85Å; Y329-N333 HydrophobicContact CD2-CB 4.38Å; Y329-N333 HydrophobicContact CE1-CB 4.4Å; Y329-N333 WeakPolarHBondContact CE1-ND2 3.47Å; Y329-N333 HydrophobicContact CE2-CB 4.21Å; Y329-N333 WeakPolarHBondContact O-CA 3.48Å; Y329-N333 WeakPolarHBondContact O-CB 3.39Å; Y329-N333 PolarHBondContact O-N 3.2Å; Y329-N333 PolarHBondContact OH-ND2 3.35Å; N333-C335 WeakPolarHBondContact OD1-CB 3.35Å; N333-C335 PolarHBondContact OD1-N 2.89Å; N333-C335 VanDerWaalsContact OD1-N 3.12Å; N333-L344 VanDerWaalsContact CA-CD2 3.47Å; N333-L344 HydrophobicContact CB-CD2 3.62Å
334N94.6Very high91.8Very high42 Ų4227.9 Ų27.923%0.22513%0.131CC..  trans-110.914166.3-61.8-63.2000111.5L332 H379 S611 I614L332-N334 PolarHBondContact O-N 3.23Å; L332-N334 VanDerWaalsContact O-N 3.1Å; N334-H379 PolarHBondContact O-NE2 3.36Å; N334-S611 WeakPolarHBondContact CA-OG 3.3Å; N334-S611 PolarHBondContact N-OG 3.42Å; N334-I614 HydrophobicContact CB-CB 4.34Å; N334-I614 HydrophobicContact CB-CG2 4.07Å
335C95.4Very high92.3Very high9 Ų923.2 Ų23.26%0.06111%0.111CC..  trans-58.5138178.6-63.40000110.8N333 Q341 D607 S611N333-C335 WeakPolarHBondContact OD1-CB 3.35Å; N333-C335 PolarHBondContact OD1-N 2.89Å; N333-C335 VanDerWaalsContact OD1-N 3.12Å; C335-Q341 HydrophobicContact CB-CG 3.71Å; C335-Q341 PolarHBondContact O-NE2 2.86Å; C335-D607 WeakPolarHBondContact CA-OD1 3.34Å; C335-D607 WeakPolarHBondContact CB-OD2 3.39Å; C335-S611 PolarHBondContact N-OG 2.86Å; C335-S611 VanDerWaalsContact SG-CB 3.51Å
336R95Very high92.6Very high109 Ų10924.2 Ų24.241%0.41112%0.116SC..SBendtrans-95.8-13.7179.4-66.3-64.3-164.6-173.4-1.7113.5H379 L383 R384 D607R336-H379 PolarHBondContact NE-CE1 3.47Å; R336-H379 PolarHBondContact NE-ND1 2.97Å; R336-H379 PolarHBondContact NE-NE2 3.13Å; R336-H379 PolarHBondContact NH2-CE1 3.46Å; R336-H379 PolarHBondContact NH2-ND1 3.4Å; R336-L383 HydrophobicContact CB-CB 3.98Å; R336-L383 HydrophobicContact CG-CB 4.46Å; R336-R384 HydrophobicContact CB-CB 4.46Å; R336-R384 HydrophobicContact CG-CB 4.48Å; R336-D607 PolarHBondContact N-OD1 3.01Å; R336-D607 PolarHBondContact N-OD2 3.42Å
337T93.5Very high93Very high4 Ų421.7 Ų21.73%0.02510%0.104CC..SBendtrans-113.8150.8-177.773.40000111Q339 G340 Q341 L383 I386 D607T337-Q339 VanDerWaalsContact C-N 3.33Å; T337-G340 PolarHBondContact O-N 3.45Å; T337-G340 PolarHBondContact OG1-N 3.1Å; T337-Q341 WeakPolarHBondContact O-CG 3.41Å; T337-Q341 PolarHBondContact O-N 3.26Å; T337-Q341 VanDerWaalsContact O-N 3.13Å; T337-L383 HydrophobicContact CG2-CB 4.47Å; T337-L383 HydrophobicContact CG2-CD2 4.44Å; T337-L383 WeakPolarHBondContact CG2-O 3.45Å; T337-I386 HydrophobicContact CG2-CB 3.96Å; T337-I386 HydrophobicContact CG2-CG2 4.22Å; T337-D607 WeakPolarHBondContact CA-OD2 3.15Å; T337-D607 VanDerWaalsContact CB-OD2 3.29Å; T337-D607 WeakPolarHBondContact CB-OD2 3.35Å; T337-D607 PolarHBondContact N-OD2 2.9Å; T337-D607 PolarHBondContact OG1-OD2 3.37Å
338A90.4Very high93.1Very high23 Ų2321.7 Ų21.719%0.1910%0.104CC..Hα-helixtrans-67-35.9177.500000111.8Q341 R342 D388A338-Q341 PolarHBondContact O-N 2.99Å; A338-R342 WeakPolarHBondContact O-CG 3.47Å; A338-R342 PolarHBondContact O-N 3.25Å; A338-D388 HydrophobicContact CB-CB 4.24Å
339Q90.1Very high92.9Very high4 Ų422.8 Ų22.82%0.01911%0.108CC..Hα-helixtrans-65.5-40.3175.262.4-88.131.100112.6T337 R342 L343 P387 N600 T603 A604T337-Q339 VanDerWaalsContact C-N 3.33Å; Q339-R342 PolarHBondContact O-N 3.17Å; Q339-L343 WeakPolarHBondContact O-CB 3.28Å; Q339-L343 PolarHBondContact O-N 3.11Å; Q339-P387 PolarHBondContact NE2-O 2.87Å; Q339-N600 VanDerWaalsContact CB-OD1 3.3Å; Q339-N600 WeakPolarHBondContact CB-OD1 3.49Å; Q339-N600 WeakPolarHBondContact CG-OD1 3.43Å; Q339-T603 PolarHBondContact NE2-OG1 2.96Å; Q339-A604 HydrophobicContact CB-CB 3.87Å; Q339-A604 HydrophobicContact CG-CB 3.7Å
340G94.1Very high92.9Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-64.4-39.3173.800000112.5T337 L343 L344 V608T337-G340 PolarHBondContact O-N 3.45Å; T337-G340 PolarHBondContact OG1-N 3.1Å; G340-L343 PolarHBondContact O-N 3.04Å; G340-L344 PolarHBondContact O-N 2.83Å; G340-V608 WeakPolarHBondContact O-CG2 3.44Å
341Q92.3Very high93Very high50 Ų5022.3 Ų22.323%0.23411%0.105CC..Hα-helixtrans-61.8-46.3174.1-70.2177.65.500112Y329 C335 T337 A338 L343 L344 A345Y329-Q341 WeakPolarHBondContact OH-CB 3.49Å; Y329-Q341 PolarHBondContact OH-O 3.34Å; C335-Q341 HydrophobicContact CB-CG 3.71Å; C335-Q341 PolarHBondContact O-NE2 2.86Å; T337-Q341 WeakPolarHBondContact O-CG 3.41Å; T337-Q341 PolarHBondContact O-N 3.26Å; T337-Q341 VanDerWaalsContact O-N 3.13Å; A338-Q341 PolarHBondContact O-N 2.99Å; Q341-L343 VanDerWaalsContact C-N 3.34Å; Q341-L343 PolarHBondContact O-N 2.98Å; Q341-L344 PolarHBondContact O-N 3.49Å; Q341-A345 PolarHBondContact O-N 2.98Å; Q341-A345 VanDerWaalsContact O-N 3.11Å
342R89.6Confident93.2Very high32 Ų3222.3 Ų22.312%0.12111%0.105CC..Hα-helixtrans-59.6-43.9175.5-75-175.6-72.3-140.2-8.9111.7E157 A338 Q339 A345 Q346 D388E157-R342 IonicContact OE2-CZ 3.45Å; E157-R342 IonicContact OE2-NH1 2.69Å; E157-R342 PolarHBondContact OE2-NH1 2.91Å; A338-R342 WeakPolarHBondContact O-CG 3.47Å; A338-R342 PolarHBondContact O-N 3.25Å; Q339-R342 PolarHBondContact O-N 3.17Å; R342-A345 PolarHBondContact O-N 3.01Å; R342-Q346 PolarHBondContact O-N 2.77Å; R342-D388 IonicContact CZ-OD1 2.79Å; R342-D388 IonicContact CZ-OD2 3.95Å; R342-D388 IonicContact NH1-OD2 2.73Å; R342-D388 IonicContact NH2-OD1 3.88Å; R342-D388 PolarHBondContact NH2-OD1 3.26Å; R342-D388 IonicContact NH2-OD2 3.52Å; R342-D388 PolarHBondContact NH2-OD2 3.01Å
343L93.1Very high93.1Very high31 Ų3124 Ų2416%0.16211%0.113CC..Hα-helixtrans-67.8-43.1-179.3-175.364.1000112.5Q339 G340 Q341 A345 Q346 W347 A604 F605 V608Q339-L343 WeakPolarHBondContact O-CB 3.28Å; Q339-L343 PolarHBondContact O-N 3.11Å; G340-L343 PolarHBondContact O-N 3.04Å; Q341-L343 VanDerWaalsContact C-N 3.34Å; Q341-L343 PolarHBondContact O-N 2.98Å; L343-A345 VanDerWaalsContact C-N 3.31Å; L343-A345 PolarHBondContact O-N 2.78Å; L343-Q346 WeakPolarHBondContact O-CA 3.35Å; L343-Q346 WeakPolarHBondContact O-CB 3.24Å; L343-Q346 PolarHBondContact O-N 2.89Å; L343-Q346 VanDerWaalsContact O-N 3.08Å; L343-W347 HydrophobicContact CD2-CZ2 4.11Å; L343-W347 HydrophobicContact CG-CZ2 4.36Å; L343-W347 PolarHBondContact O-N 3.14Å; L343-A604 HydrophobicContact CB-CB 4.27Å; L343-A604 HydrophobicContact CD2-CB 3.88Å; L343-F605 HydrophobicContact CD2-CB 4.34Å; L343-V608 HydrophobicContact CB-CG2 3.87Å; L343-V608 HydrophobicContact CD2-CG2 3.95Å; L343-V608 HydrophobicContact CG-CG2 4.01Å
344L95.1Very high93.1Very high0 Ų026.4 Ų26.40%013%0.127CC..Hα-helixtrans-60.8-42.9175.4175.760.8000111.4Y329 L332 N333 G340 Q341 Q346 W347 L348 V608 L612Y329-L344 HydrophobicContact CD2-CD2 4.15Å; Y329-L344 HydrophobicContact CD2-CG 4.07Å; Y329-L344 HydrophobicContact CE2-CB 4.31Å; Y329-L344 HydrophobicContact CE2-CD2 4.19Å; Y329-L344 HydrophobicContact CE2-CG 4.18Å; L332-L344 HydrophobicContact CB-CD2 4.3Å; N333-L344 VanDerWaalsContact CA-CD2 3.47Å; N333-L344 HydrophobicContact CB-CD2 3.62Å; G340-L344 PolarHBondContact O-N 2.83Å; Q341-L344 PolarHBondContact O-N 3.49Å; L344-Q346 PolarHBondContact O-N 3.1Å; L344-W347 PolarHBondContact O-N 2.61Å; L344-L348 HydrophobicContact CG-CD1 4.47Å; L344-L348 PolarHBondContact O-N 3.05Å; L344-L348 VanDerWaalsContact O-N 3.1Å; L344-V608 HydrophobicContact CB-CG1 4.23Å; L344-V608 HydrophobicContact CB-CG2 3.98Å; L344-V608 HydrophobicContact CD1-CG1 4.09Å; L344-L612 HydrophobicContact CD1-CD2 4.15Å
345A92Very high93.1Very high1 Ų127.9 Ų27.91%0.00813%0.131CC..Hα-helixtrans-61.8-37175.600000111.3L316 Y329 Q341 R342 L343 R349L316-A345 HydrophobicContact CD2-CB 4.05Å; Y329-A345 HydrophobicContact CD2-CB 4.06Å; Y329-A345 HydrophobicContact CE2-CB 3.7Å; Q341-A345 PolarHBondContact O-N 2.98Å; Q341-A345 VanDerWaalsContact O-N 3.11Å; R342-A345 PolarHBondContact O-N 3.01Å; L343-A345 VanDerWaalsContact C-N 3.31Å; L343-A345 PolarHBondContact O-N 2.78Å; A345-R349 VanDerWaalsContact C-NH1 3.28Å; A345-R349 VanDerWaalsContact O-CZ 3.23Å; A345-R349 PolarHBondContact O-N 2.79Å; A345-R349 PolarHBondContact O-NH1 2.96Å
346Q91.4Very high93Very high79 Ų7930.7 Ų30.737%0.36915%0.151SC..Hα-helixtrans-64.5-46.2174.2-178.2-175-17.800111.7R342 L343 L344 L348 R349 Q350R342-Q346 PolarHBondContact O-N 2.77Å; L343-Q346 WeakPolarHBondContact O-CA 3.35Å; L343-Q346 WeakPolarHBondContact O-CB 3.24Å; L343-Q346 PolarHBondContact O-N 2.89Å; L343-Q346 VanDerWaalsContact O-N 3.08Å; L344-Q346 PolarHBondContact O-N 3.1Å; Q346-L348 VanDerWaalsContact C-N 3.29Å; Q346-L348 PolarHBondContact O-N 2.61Å; Q346-R349 VanDerWaalsContact CA-NH2 3.34Å; Q346-R349 PolarHBondContact O-N 2.76Å; Q346-Q350 VanDerWaalsContact CG-OE1 3.3Å; Q346-Q350 WeakPolarHBondContact O-CB 3.28Å; Q346-Q350 PolarHBondContact O-N 2.9Å
347W94.7Very high93Very high11 Ų1130.4 Ų30.44%0.04215%0.152CC..Hα-helixtrans-59.9-39.5179.4-719000112.2L343 L344 R349 Q350 P351 R361 F605 V608 I609 L612 I696L343-W347 HydrophobicContact CD2-CZ2 4.11Å; L343-W347 HydrophobicContact CG-CZ2 4.36Å; L343-W347 PolarHBondContact O-N 3.14Å; L344-W347 PolarHBondContact O-N 2.61Å; W347-R349 VanDerWaalsContact C-N 3.27Å; W347-R349 PolarHBondContact O-N 2.82Å; W347-Q350 CarbonylContact O-C 3.56Å; W347-Q350 PolarHBondContact O-N 3.4Å; W347-Q350 VanDerWaalsContact O-N 3.13Å; W347-P351 VanDerWaalsContact O-N 3.14Å; W347-R361 HydrophobicContact CH2-CG 4.36Å; W347-F605 AromaticContact CH2-CD2 3.87Å; W347-F605 HydrophobicContact CH2-CD2 3.87Å; W347-F605 AromaticContact CH2-CE2 3.78Å; W347-F605 HydrophobicContact CH2-CE2 3.78Å; W347-F605 AromaticContact CZ2-CD2 3.66Å; W347-F605 HydrophobicContact CZ2-CD2 3.66Å; W347-F605 AromaticContact CZ2-CE2 3.83Å; W347-F605 HydrophobicContact CZ2-CE2 3.83Å; W347-V608 HydrophobicContact CD2-CG1 4.14Å; W347-V608 HydrophobicContact CE3-CG1 3.5Å; W347-V608 HydrophobicContact CH2-CB 4.28Å; W347-V608 HydrophobicContact CH2-CG1 3.86Å; W347-V608 HydrophobicContact CZ2-CG1 4.45Å; W347-V608 HydrophobicContact CZ3-CB 4.24Å; W347-V608 HydrophobicContact CZ3-CG1 3.35Å; W347-I609 HydrophobicContact CH2-CD1 3.75Å; W347-I609 HydrophobicContact CH2-CG1 4.47Å; W347-I609 HydrophobicContact CZ3-CD1 3.97Å; W347-L612 HydrophobicContact CE3-CD1 4.43Å; W347-L612 HydrophobicContact CZ3-CD1 4.12Å; W347-I696 HydrophobicContact CB-CB 4.33Å; W347-I696 HydrophobicContact CB-CG2 4.32Å; W347-I696 WeakPolarHBondContact O-CG2 3.37Å
348L93.3Very high93.2Very high2 Ų230.2 Ų30.21%0.0115%0.151CC..Hα-helixtrans-65.6-27.3175.9-75165.8000113.7L316 V328 Y329 L332 L344 Q346 I696L316-L348 HydrophobicContact CD2-CB 4.42Å; L316-L348 HydrophobicContact CD2-CD1 4.47Å; V328-L348 HydrophobicContact CG1-CD2 4.03Å; Y329-L348 VanDerWaalsContact CA-CD1 3.49Å; Y329-L348 HydrophobicContact CD2-CD1 3.99Å; Y329-L348 HydrophobicContact CG-CD1 4.34Å; L332-L348 HydrophobicContact CD1-CD2 4.44Å; L344-L348 HydrophobicContact CG-CD1 4.47Å; L344-L348 PolarHBondContact O-N 3.05Å; L344-L348 VanDerWaalsContact O-N 3.1Å; Q346-L348 VanDerWaalsContact C-N 3.29Å; Q346-L348 PolarHBondContact O-N 2.61Å; L348-I696 HydrophobicContact CD2-CD1 3.92Å; L348-I696 HydrophobicContact CD2-CG2 4.4Å; L348-I696 HydrophobicContact CG-CD1 4.45Å
349R90.7Very high93.5Very high24 Ų2432.4 Ų32.49%0.09116%0.158CC..Hα-helixtrans-82.7-25.4172.5-65.9-175.4-64.1-86.41.2112.7V180 L316 A345 Q346 W347 P351V180-R349 WeakPolarHBondContact O-CD 3.3Å; L316-R349 HydrophobicContact CD1-CG 3.64Å; A345-R349 VanDerWaalsContact C-NH1 3.28Å; A345-R349 VanDerWaalsContact O-CZ 3.23Å; A345-R349 PolarHBondContact O-N 2.79Å; A345-R349 PolarHBondContact O-NH1 2.96Å; Q346-R349 VanDerWaalsContact CA-NH2 3.34Å; Q346-R349 PolarHBondContact O-N 2.76Å; W347-R349 VanDerWaalsContact C-N 3.27Å; W347-R349 PolarHBondContact O-N 2.82Å; R349-P351 VanDerWaalsContact C-CD 3.41Å
350Q91.9Very high93.8Very high21 Ų2136 Ų3610%0.09818%0.175CC..SBendtrans-125.562.1-175.5-66.4178.2-22.400111.1Q181 H302 Q346 W347Q181-Q350 HydrophobicContact CB-CG 4.06Å; Q181-Q350 HydrophobicContact CG-CG 4.18Å; H302-Q350 HydrophobicContact CB-CB 4.31Å; Q346-Q350 VanDerWaalsContact CG-OE1 3.3Å; Q346-Q350 WeakPolarHBondContact O-CB 3.28Å; Q346-Q350 PolarHBondContact O-N 2.9Å; W347-Q350 CarbonylContact O-C 3.56Å; W347-Q350 PolarHBondContact O-N 3.4Å; W347-Q350 VanDerWaalsContact O-N 3.13Å
351P95.1Very high93.9Very high0 Ų037.6 Ų37.60%018%0.18CC..  trans-59.4142.7171.9-15.428.1000109.9H302 V303 L305 W347 R349 Q695 I696H302-P351 CarbonylContact C-O 3.54Å; H302-P351 WeakPolarHBondContact CA-O 3.09Å; V303-P351 HydrophobicContact CB-CB 4.01Å; V303-P351 HydrophobicContact CB-CG 4.11Å; V303-P351 HydrophobicContact CG2-CB 3.73Å; V303-P351 HydrophobicContact CG2-CG 4.37Å; V303-P351 PolarHBondContact N-O 2.69Å; L305-P351 HydrophobicContact CD1-CG 4.17Å; W347-P351 VanDerWaalsContact O-N 3.14Å; R349-P351 VanDerWaalsContact C-CD 3.41Å; P351-Q695 HydrophobicContact CB-CB 3.78Å; P351-I696 HydrophobicContact CB-CG2 4.08Å; P351-I696 HydrophobicContact CG-CG2 4.25Å
352L95.3Very high94.2Very high12 Ų1235.2 Ų35.26%0.06317%0.169CC..BIsolated β-bridgetrans-79.6151.2-174.9-61.6172000111K357 I358 Q695L352-K357 HydrophobicContact CD1-CB 3.79Å; L352-I358 HydrophobicContact CB-CD1 4.27Å; L352-I358 HydrophobicContact CB-CG1 3.73Å; L352-I358 HydrophobicContact CD1-CG1 4.22Å; L352-Q695 WeakPolarHBondContact CB-O 3.4Å; L352-Q695 PolarHBondContact N-O 2.95Å; L352-Q695 WeakPolarHBondContact O-CB 3.37Å; L352-Q695 PolarHBondContact O-NE2 3.35Å
353I93.6Very high94.6Very high34 Ų3434.9 Ų34.917%0.17417%0.17CC..  trans-99.5-36.2169.9-65.7170.4000110.8E300 N301 H302 V303 K355 P709 D711E300-I353 WeakPolarHBondContact O-CD1 3.44Å; N301-I353 PolarHBondContact O-N 3.05Å; H302-I353 VanDerWaalsContact C-CD1 3.45Å; H302-I353 WeakPolarHBondContact O-CD1 3.38Å; V303-I353 HydrophobicContact CG2-CG1 4.1Å; I353-K355 PolarHBondContact O-N 3.13Å; I353-K355 VanDerWaalsContact O-N 3.14Å; I353-P709 WeakPolarHBondContact O-CB 3.49Å; I353-D711 HydrophobicContact CD1-CB 4.38Å
354D93.3Very high94.8Very high67 Ų6733.4 Ų33.436%0.35816%0.162SC..  trans-65.1112.4-177.9-178-4.4000112S356 K357 I358D354-S356 VanDerWaalsContact C-N 3.25Å; D354-S356 VanDerWaalsContact CG-OG 3.23Å; D354-S356 PolarHBondContact O-N 3.02Å; D354-S356 PolarHBondContact OD1-N 3.18Å; D354-S356 PolarHBondContact OD1-OG 3.04Å; D354-S356 PolarHBondContact OD2-OG 3.3Å; D354-K357 HydrophobicContact CB-CB 4.46Å; D354-K357 HydrophobicContact CB-CD 4.19Å; D354-K357 HydrophobicContact CB-CG 4.33Å; D354-K357 PolarHBondContact O-N 3Å; D354-K357 WeakPolarHBondContact OD2-CE 3.16Å; D354-I358 WeakPolarHBondContact O-CG1 3.35Å; D354-I358 PolarHBondContact O-N 2.91Å
355K94.6Very high94.9Very high73 Ų7333.4 Ų33.432%0.31716%0.162SC..Hα-helixtrans-51.4-42.9178.7173175.4175.3-179.10112.7I353 K357 I358 E359 I629I353-K355 PolarHBondContact O-N 3.13Å; I353-K355 VanDerWaalsContact O-N 3.14Å; K355-K357 PolarHBondContact O-N 3.38Å; K355-I358 PolarHBondContact O-N 3.43Å; K355-E359 WeakPolarHBondContact CE-OE1 3.35Å; K355-E359 WeakPolarHBondContact CE-OE2 3.37Å; K355-E359 HydrophobicContact CG-CG 4.34Å; K355-E359 IonicContact NZ-OE1 2.75Å; K355-E359 WeakPolarHBondContact O-CG 3.32Å; K355-E359 PolarHBondContact O-N 2.69Å; K355-I629 HydrophobicContact CB-CG2 4.26Å; K355-I629 HydrophobicContact CD-CG2 4.32Å; K355-I629 VanDerWaalsContact CE-O 3.25Å; K355-I629 WeakPolarHBondContact CE-O 3.41Å; K355-I629 HydrophobicContact CG-CB 4.41Å; K355-I629 HydrophobicContact CG-CG2 3.8Å; K355-I629 PolarHBondContact NZ-O 3.4Å
356S94.9Very high95.1Very high67 Ų6735.3 Ų35.347%0.46917%0.171SC..Hα-helixtrans-63.5-44.6-173.964.50000111.7D354 I358 E359 E360D354-S356 VanDerWaalsContact C-N 3.25Å; D354-S356 VanDerWaalsContact CG-OG 3.23Å; D354-S356 PolarHBondContact O-N 3.02Å; D354-S356 PolarHBondContact OD1-N 3.18Å; D354-S356 PolarHBondContact OD1-OG 3.04Å; D354-S356 PolarHBondContact OD2-OG 3.3Å; S356-I358 PolarHBondContact O-N 3.23Å; S356-E359 PolarHBondContact O-N 3.48Å; S356-E360 WeakPolarHBondContact O-CB 3.23Å; S356-E360 PolarHBondContact O-N 2.98Å
357K95Very high95.3Very high103 Ų10331.5 Ų31.545%0.44815%0.153SC..Hα-helixtrans-67.9-34.6177.3-64.1179.4-175174.40112.7L352 D354 K355 R361L352-K357 HydrophobicContact CD1-CB 3.79Å; D354-K357 HydrophobicContact CB-CB 4.46Å; D354-K357 HydrophobicContact CB-CD 4.19Å; D354-K357 HydrophobicContact CB-CG 4.33Å; D354-K357 PolarHBondContact O-N 3Å; D354-K357 WeakPolarHBondContact OD2-CE 3.16Å; K355-K357 PolarHBondContact O-N 3.38Å; K357-R361 PolarHBondContact O-N 3.23Å; K357-R361 VanDerWaalsContact O-N 3.16Å
358I96.6Very high95.4Very high0 Ų031.2 Ų31.20%015%0.152CC..Hα-helixtrans-65.1-47.9173.9-61.2164.1000109.6L352 D354 K355 S356 E360 R361 L362 I629 A694 Q695 P709L352-I358 HydrophobicContact CB-CD1 4.27Å; L352-I358 HydrophobicContact CB-CG1 3.73Å; L352-I358 HydrophobicContact CD1-CG1 4.22Å; D354-I358 WeakPolarHBondContact O-CG1 3.35Å; D354-I358 PolarHBondContact O-N 2.91Å; K355-I358 PolarHBondContact O-N 3.43Å; S356-I358 PolarHBondContact O-N 3.23Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 3.2Å; I358-R361 PolarHBondContact O-N 3.1Å; I358-L362 HydrophobicContact CG2-CD1 3.91Å; I358-L362 HydrophobicContact CG2-CG 4.35Å; I358-L362 WeakPolarHBondContact O-CB 3.46Å; I358-L362 VanDerWaalsContact O-CG 3.32Å; I358-L362 WeakPolarHBondContact O-CG 3.45Å; I358-L362 PolarHBondContact O-N 2.89Å; I358-I629 HydrophobicContact CG2-CD1 3.95Å; I358-I629 HydrophobicContact CG2-CG1 3.78Å; I358-A694 VanDerWaalsContact CG2-O 3.28Å; I358-A694 WeakPolarHBondContact CG2-O 3.39Å; I358-Q695 HydrophobicContact CD1-CB 4.44Å; I358-Q695 HydrophobicContact CD1-CG 4.07Å; I358-P709 HydrophobicContact CD1-CB 4.42Å; I358-P709 HydrophobicContact CD1-CG 4.2Å
359E96.5Very high95.4Very high70 Ų7032.7 Ų32.733%0.32716%0.161SC..Hα-helixtrans-62.8-38.8178.9-74.4-177.6156.300112.3K355 S356 L362 D363 R626 I629K355-E359 WeakPolarHBondContact CE-OE1 3.35Å; K355-E359 WeakPolarHBondContact CE-OE2 3.37Å; K355-E359 HydrophobicContact CG-CG 4.34Å; K355-E359 IonicContact NZ-OE1 2.75Å; K355-E359 WeakPolarHBondContact O-CG 3.32Å; K355-E359 PolarHBondContact O-N 2.69Å; S356-E359 PolarHBondContact O-N 3.48Å; E359-L362 PolarHBondContact O-N 3.24Å; E359-D363 WeakPolarHBondContact O-CB 3.49Å; E359-D363 VanDerWaalsContact O-CG 3.28Å; E359-D363 PolarHBondContact O-N 2.83Å; E359-R626 PolarHBondContact O-NH2 3.42Å; E359-I629 HydrophobicContact CG-CB 4.37Å
360E96.4Very high95.6Very high80 Ų8036.3 Ų36.337%0.37418%0.179SC..Hα-helixtrans-58.8-49.2174.1-170.7-168123.200111.6S356 I358 L362 D363 L364 T434 C438S356-E360 WeakPolarHBondContact O-CB 3.23Å; S356-E360 PolarHBondContact O-N 2.98Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 3.2Å; E360-L362 PolarHBondContact O-N 2.99Å; E360-D363 WeakPolarHBondContact O-CB 3.5Å; E360-D363 PolarHBondContact O-N 3.27Å; E360-L364 WeakPolarHBondContact O-CG 3.29Å; E360-L364 PolarHBondContact O-N 3.45Å; E360-L364 VanDerWaalsContact O-N 3.15Å; E360-T434 HydrophobicContact CG-CG2 3.74Å; E360-C438 VanDerWaalsContact CD-SG 3.58Å; E360-C438 PolarHBondContact OE1-SG 3.47Å
361R97.6Very high95.7Very high33 Ų3338.8 Ų38.813%0.12519%0.191CC..Hα-helixtrans-62.1-44176-73.1-177.4-178.3178.62.8111.9W347 K357 I358 D363 L364 V365 I609 I696W347-R361 HydrophobicContact CH2-CG 4.36Å; K357-R361 PolarHBondContact O-N 3.23Å; K357-R361 VanDerWaalsContact O-N 3.16Å; I358-R361 PolarHBondContact O-N 3.1Å; R361-D363 VanDerWaalsContact C-N 3.31Å; R361-D363 PolarHBondContact O-N 3.12Å; R361-L364 PolarHBondContact O-N 3.36Å; R361-V365 WeakPolarHBondContact O-CG2 3.26Å; R361-V365 PolarHBondContact O-N 2.67Å; R361-I609 HydrophobicContact CB-CD1 4.43Å; R361-I609 HydrophobicContact CG-CD1 4.49Å; R361-I696 VanDerWaalsContact CD-O 3.23Å; R361-I696 WeakPolarHBondContact CD-O 3.21Å; R361-I696 PolarHBondContact NH1-O 2.86Å
362L97.6Very high95.6Very high0 Ų041.5 Ų41.50%021%0.207CC..Hα-helixtrans-61.9-39.8178-73.2171.6000111.3I358 E359 E360 L364 V365 E366 R626 P627 I629 G697 S698 F699I358-L362 HydrophobicContact CG2-CD1 3.91Å; I358-L362 HydrophobicContact CG2-CG 4.35Å; I358-L362 WeakPolarHBondContact O-CB 3.46Å; I358-L362 VanDerWaalsContact O-CG 3.32Å; I358-L362 WeakPolarHBondContact O-CG 3.45Å; I358-L362 PolarHBondContact O-N 2.89Å; E359-L362 PolarHBondContact O-N 3.24Å; E360-L362 PolarHBondContact O-N 2.99Å; L362-L364 VanDerWaalsContact C-N 3.32Å; L362-L364 PolarHBondContact O-N 3.2Å; L362-V365 PolarHBondContact O-N 3.39Å; L362-E366 WeakPolarHBondContact O-CB 2.77Å; L362-E366 PolarHBondContact O-N 3.22Å; L362-R626 VanDerWaalsContact CB-CZ 3.4Å; L362-R626 PolarHBondContact O-NH1 3.14Å; L362-P627 HydrophobicContact CD1-CG 4.09Å; L362-P627 HydrophobicContact CD2-CG 4.14Å; L362-I629 HydrophobicContact CD1-CD1 4.21Å; L362-I629 HydrophobicContact CD1-CG1 3.79Å; L362-G697 WeakPolarHBondContact CD2-O 3.2Å; L362-S698 WeakPolarHBondContact CD2-O 3.31Å; L362-F699 HydrophobicContact CD2-CD1 4.01Å; L362-F699 HydrophobicContact CD2-CE1 4.32Å
363D97.3Very high95.6Very high24 Ų2443.5 Ų43.513%0.12823%0.23CC..Hα-helixtrans-59.9-41.5175.9-79.93.3000112E359 E360 R361 S367 K431 T434 R626E359-D363 WeakPolarHBondContact O-CB 3.49Å; E359-D363 VanDerWaalsContact O-CG 3.28Å; E359-D363 PolarHBondContact O-N 2.83Å; E360-D363 WeakPolarHBondContact O-CB 3.5Å; E360-D363 PolarHBondContact O-N 3.27Å; R361-D363 VanDerWaalsContact C-N 3.31Å; R361-D363 PolarHBondContact O-N 3.12Å; D363-S367 PolarHBondContact O-N 3.1Å; D363-K431 HydrophobicContact CB-CB 4.43Å; D363-K431 HydrophobicContact CB-CD 4.06Å; D363-K431 HydrophobicContact CB-CG 4.22Å; D363-K431 VanDerWaalsContact OD1-CE 3.32Å; D363-K431 WeakPolarHBondContact OD1-CE 3.41Å; D363-K431 IonicContact OD1-NZ 3.3Å; D363-K431 PolarHBondContact OD1-NZ 3.3Å; D363-K431 IonicContact OD2-NZ 2.87Å; D363-K431 PolarHBondContact OD2-NZ 2.76Å; D363-K431 VanDerWaalsContact OD2-NZ 3.1Å; D363-T434 HydrophobicContact CB-CG2 4.15Å; D363-R626 VanDerWaalsContact CA-NH1 3.34Å; D363-R626 IonicContact OD1-CZ 3.77Å; D363-R626 IonicContact OD1-NH1 3.8Å; D363-R626 PolarHBondContact OD1-NH1 3.09Å; D363-R626 IonicContact OD1-NH2 3Å; D363-R626 PolarHBondContact OD1-NH2 3.11Å
364L97.2Very high95.7Very high0 Ų042.1 Ų42.10%022%0.224CC..Hα-helixtrans-67.1-43.2174.4-63.6172.3000111.7E360 R361 L362 E366 S367 F368 T434 V435 C438 L439 F605 I609E360-L364 WeakPolarHBondContact O-CG 3.29Å; E360-L364 PolarHBondContact O-N 3.45Å; E360-L364 VanDerWaalsContact O-N 3.15Å; R361-L364 PolarHBondContact O-N 3.36Å; L362-L364 VanDerWaalsContact C-N 3.32Å; L362-L364 PolarHBondContact O-N 3.2Å; L364-E366 PolarHBondContact O-N 3.45Å; L364-S367 PolarHBondContact O-N 3.45Å; L364-S367 PolarHBondContact O-OG 2.71Å; L364-F368 WeakPolarHBondContact O-CD2 3.24Å; L364-F368 PolarHBondContact O-N 2.93Å; L364-T434 HydrophobicContact CD2-CG2 3.93Å; L364-T434 HydrophobicContact CG-CG2 4Å; L364-V435 HydrophobicContact CD2-CG2 4.02Å; L364-C438 HydrophobicContact CD1-CB 3.96Å; L364-C438 HydrophobicContact CD2-CB 4.31Å; L364-L439 HydrophobicContact CD2-CD1 3.94Å; L364-L439 HydrophobicContact CD2-CG 4.17Å; L364-F605 HydrophobicContact CD1-CE1 3.48Å; L364-F605 VanDerWaalsContact CD1-CE1 3.48Å; L364-F605 HydrophobicContact CD1-CZ 3.42Å; L364-F605 VanDerWaalsContact CD1-CZ 3.42Å; L364-I609 HydrophobicContact CB-CD1 4.32Å; L364-I609 HydrophobicContact CB-CG1 4.33Å; L364-I609 HydrophobicContact CB-CG2 3.7Å; L364-I609 HydrophobicContact CD1-CD1 4.47Å; L364-I609 HydrophobicContact CD1-CG1 4.41Å
365V97.3Very high95.8Very high0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-61.2-45.8176.4173.80000110.6R361 L362 S367 F368 V369 I609 L612 A613 F699R361-V365 WeakPolarHBondContact O-CG2 3.26Å; R361-V365 PolarHBondContact O-N 2.67Å; L362-V365 PolarHBondContact O-N 3.39Å; V365-S367 VanDerWaalsContact C-N 3.35Å; V365-S367 PolarHBondContact O-N 2.78Å; V365-F368 PolarHBondContact O-N 3.19Å; V365-V369 HydrophobicContact CG1-CG2 4.12Å; V365-V369 WeakPolarHBondContact O-CG2 2.96Å; V365-V369 PolarHBondContact O-N 3.05Å; V365-I609 HydrophobicContact CG2-CD1 4.21Å; V365-I609 HydrophobicContact CG2-CG2 3.94Å; V365-L612 HydrophobicContact CG1-CB 4.4Å; V365-L612 HydrophobicContact CG2-CB 3.93Å; V365-L612 HydrophobicContact CG2-CD1 4.16Å; V365-A613 HydrophobicContact CG1-CB 4.28Å; V365-F699 HydrophobicContact CB-CD1 4.3Å; V365-F699 HydrophobicContact CB-CE1 4.13Å; V365-F699 HydrophobicContact CG1-CD1 3.62Å; V365-F699 HydrophobicContact CG1-CE1 3.75Å; V365-F699 HydrophobicContact CG1-CG 4.23Å; V365-F699 HydrophobicContact CG1-CZ 4.44Å
366E96.7Very high95.9Very high41 Ų4144 Ų4419%0.19222%0.224CC..Hα-helixtrans-57.7-45.5177.7-172.7166.8-13800111.8L362 L364 F368 V369 E370 K431 R626 F699L362-E366 WeakPolarHBondContact O-CB 2.77Å; L362-E366 PolarHBondContact O-N 3.22Å; L364-E366 PolarHBondContact O-N 3.45Å; E366-F368 PolarHBondContact O-N 3.35Å; E366-V369 PolarHBondContact O-N 3.47Å; E366-E370 WeakPolarHBondContact O-CG 3.46Å; E366-E370 PolarHBondContact O-N 3.27Å; E366-K431 WeakPolarHBondContact OE2-CE 3.34Å; E366-R626 IonicContact OE2-CZ 3.51Å; E366-R626 IonicContact OE2-NE 2.99Å; E366-R626 IonicContact OE2-NH1 3.94Å; E366-R626 PolarHBondContact OE2-NH1 2.75Å; E366-F699 HydrophobicContact CB-CE1 4.15Å; E366-F699 HydrophobicContact CB-CZ 3.73Å; E366-F699 HydrophobicContact CG-CZ 4.11Å
367S95.9Very high95.9Very high0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-55.1-40.117876.10000112.9D363 L364 V365 E371 Y427D363-S367 PolarHBondContact O-N 3.1Å; L364-S367 PolarHBondContact O-N 3.45Å; L364-S367 PolarHBondContact O-OG 2.71Å; V365-S367 VanDerWaalsContact C-N 3.35Å; V365-S367 PolarHBondContact O-N 2.78Å; S367-E371 PolarHBondContact O-N 2.6Å; S367-Y427 VanDerWaalsContact CB-CZ 3.45Å; S367-Y427 WeakPolarHBondContact CB-OH 3.48Å
368F95.9Very high96Very high4 Ų436.2 Ų36.22%0.01818%0.183CC..Hα-helixtrans-85.5-21.5178-64.4-57.4000113.4L364 V365 E366 I374 R375 L378 L424 L439 L606 I609 V610 A613L364-F368 WeakPolarHBondContact O-CD2 3.24Å; L364-F368 PolarHBondContact O-N 2.93Å; V365-F368 PolarHBondContact O-N 3.19Å; E366-F368 PolarHBondContact O-N 3.35Å; F368-I374 HydrophobicContact CD1-CG2 4.12Å; F368-I374 HydrophobicContact CE1-CG2 3.88Å; F368-R375 WeakPolarHBondContact O-CD 3.3Å; F368-R375 PolarHBondContact O-NH1 3.26Å; F368-L378 HydrophobicContact CD1-CD1 4.12Å; F368-L378 HydrophobicContact CE1-CD1 3.42Å; F368-L378 VanDerWaalsContact CE1-CD1 3.42Å; F368-L378 HydrophobicContact CZ-CD1 3.91Å; F368-L424 HydrophobicContact CE1-CD2 3.67Å; F368-L424 HydrophobicContact CZ-CD2 3.62Å; F368-L439 HydrophobicContact CE2-CD1 3.73Å; F368-L439 HydrophobicContact CZ-CD1 3.6Å; F368-L606 HydrophobicContact CE2-CD1 4.18Å; F368-L606 HydrophobicContact CZ-CD1 3.88Å; F368-I609 HydrophobicContact CD2-CG2 3.51Å; F368-I609 HydrophobicContact CE2-CB 4.45Å; F368-I609 HydrophobicContact CE2-CG2 3.7Å; F368-V610 HydrophobicContact CD2-CG2 4.33Å; F368-V610 HydrophobicContact CE2-CG2 4.34Å; F368-V610 HydrophobicContact CG-CG2 4.49Å; F368-A613 HydrophobicContact CB-CB 3.64Å
369V94.9Very high96Very high33 Ų3336.9 Ų36.920%0.219%0.186CC..Hα-helixtrans-66.5-45.3172.1165.10000109.6V365 E366 R375 A613 A616 I617 F699V365-V369 HydrophobicContact CG1-CG2 4.12Å; V365-V369 WeakPolarHBondContact O-CG2 2.96Å; V365-V369 PolarHBondContact O-N 3.05Å; E366-V369 PolarHBondContact O-N 3.47Å; V369-R375 PolarHBondContact O-NH1 3.12Å; V369-A613 HydrophobicContact CG2-CB 3.87Å; V369-A616 HydrophobicContact CG2-CB 4.02Å; V369-I617 HydrophobicContact CB-CD1 4.29Å; V369-I617 HydrophobicContact CG1-CD1 4.03Å; V369-I617 HydrophobicContact CG1-CG1 4.15Å; V369-I617 HydrophobicContact CG2-CD1 4.37Å; V369-I617 WeakPolarHBondContact O-CD1 3.38Å; V369-F699 HydrophobicContact CB-CE2 4.35Å; V369-F699 HydrophobicContact CG1-CE2 4.19Å; V369-F699 HydrophobicContact CG2-CD2 4.32Å; V369-F699 HydrophobicContact CG2-CE2 4.04Å; V369-F699 HydrophobicContact CG2-CZ 4.4Å
370E93.3Very high95.9Very high101 Ų10138.5 Ų38.547%0.47219%0.194SC..Hα-helixtrans-65.2-47.9178.3-66.5178.6168.400111.9E366 T372E366-E370 WeakPolarHBondContact O-CG 3.46Å; E366-E370 PolarHBondContact O-N 3.27Å; E370-T372 PolarHBondContact O-N 2.79Å
371E94.1Very high95.8Very high72 Ų7237.5 Ų37.534%0.33619%0.191SC..  trans-93.587.8-173.8-70.1-60163.400114.2S367 G373 I374 R375 Y427S367-E371 PolarHBondContact O-N 2.6Å; E371-G373 VanDerWaalsContact C-N 3.34Å; E371-G373 PolarHBondContact O-N 3.16Å; E371-I374 HydrophobicContact CB-CB 4.12Å; E371-I374 HydrophobicContact CB-CD1 3.88Å; E371-I374 HydrophobicContact CB-CG1 4.08Å; E371-I374 HydrophobicContact CG-CD1 4.03Å; E371-I374 PolarHBondContact O-N 3.26Å; E371-R375 WeakPolarHBondContact O-CB 3.33Å; E371-R375 PolarHBondContact O-N 3.13Å; E371-Y427 HydrophobicContact CB-CD2 4.48Å; E371-Y427 HydrophobicContact CG-CD2 3.67Å; E371-Y427 HydrophobicContact CG-CE2 3.95Å
372T93.9Very high95.7Very high58 Ų5836 Ų3636%0.35619%0.185SC..Hα-helixtrans-61.7-36.8-179-65.20000113.7E370 R375 R376E370-T372 PolarHBondContact O-N 2.79Å; T372-R375 PolarHBondContact OG1-NH2 3.44Å; T372-R376 HydrophobicContact CG2-CG 4.44Å; T372-R376 WeakPolarHBondContact O-CB 3.47Å; T372-R376 WeakPolarHBondContact O-CG 3.13Å; T372-R376 PolarHBondContact O-N 2.99Å
373G94.8Very high95.6Very high53 Ų5336 Ų3655%0.54619%0.185SC..Hα-helixtrans-64.7-49.1-179.800000112.2E371 R376 G377E371-G373 VanDerWaalsContact C-N 3.34Å; E371-G373 PolarHBondContact O-N 3.16Å; G373-R376 PolarHBondContact O-N 2.75Å; G373-G377 PolarHBondContact O-N 3.19Å
374I95.3Very high95.5Very high6 Ų643 Ų433%0.03121%0.21CC..Hα-helixtrans-62.2-48.4177.9-58.1178.8000109.9F368 E371 R376 G377 L378 L423 Q426 Y427F368-I374 HydrophobicContact CD1-CG2 4.12Å; F368-I374 HydrophobicContact CE1-CG2 3.88Å; E371-I374 HydrophobicContact CB-CB 4.12Å; E371-I374 HydrophobicContact CB-CD1 3.88Å; E371-I374 HydrophobicContact CB-CG1 4.08Å; E371-I374 HydrophobicContact CG-CD1 4.03Å; E371-I374 PolarHBondContact O-N 3.26Å; I374-R376 PolarHBondContact O-N 3Å; I374-G377 PolarHBondContact O-N 2.98Å; I374-L378 HydrophobicContact CG2-CD1 3.79Å; I374-L378 HydrophobicContact CG2-CG 4.28Å; I374-L378 WeakPolarHBondContact O-CB 3.45Å; I374-L378 WeakPolarHBondContact O-CG 3.45Å; I374-L378 PolarHBondContact O-N 2.81Å; I374-L423 HydrophobicContact CG2-CB 4.5Å; I374-Q426 HydrophobicContact CD1-CB 4.29Å; I374-Y427 HydrophobicContact CD1-CD2 4.37Å
375R96Very high95.3Very high20 Ų2049 Ų498%0.07523%0.232CC..Hα-helixtrans-55.7-47.4178.7-174.6178.164.5-111.73.8112.3F368 V369 E371 T372 H379 V610 I614F368-R375 WeakPolarHBondContact O-CD 3.3Å; F368-R375 PolarHBondContact O-NH1 3.26Å; V369-R375 PolarHBondContact O-NH1 3.12Å; E371-R375 WeakPolarHBondContact O-CB 3.33Å; E371-R375 PolarHBondContact O-N 3.13Å; T372-R375 PolarHBondContact OG1-NH2 3.44Å; R375-H379 WeakPolarHBondContact O-CB 3.47Å; R375-H379 PolarHBondContact O-N 3.13Å; R375-V610 HydrophobicContact CG-CG1 4.33Å; R375-I614 HydrophobicContact CG-CG1 4Å
376R95.7Very high95.2Very high159 Ų15949.4 Ų49.460%0.624%0.235SC*.Hα-helixtrans-65.8-46.6178.2-75.8-175.7179.1176.11.5112.3T372 G373 I374 L378 H379 E380T372-R376 HydrophobicContact CG2-CG 4.44Å; T372-R376 WeakPolarHBondContact O-CB 3.47Å; T372-R376 WeakPolarHBondContact O-CG 3.13Å; T372-R376 PolarHBondContact O-N 2.99Å; G373-R376 PolarHBondContact O-N 2.75Å; I374-R376 PolarHBondContact O-N 3Å; R376-L378 VanDerWaalsContact C-N 3.31Å; R376-L378 PolarHBondContact O-N 3.49Å; R376-H379 PolarHBondContact O-N 3.4Å; R376-E380 PolarHBondContact O-N 2.83Å
377G96.6Very high94.9Very high6 Ų649 Ų496%0.06224%0.235CC..Iπ-helixtrans-60.4-40178.400000112.5G373 I374 D381 F382G373-G377 PolarHBondContact O-N 3.19Å; I374-G377 PolarHBondContact O-N 2.98Å; G377-D381 WeakPolarHBondContact O-CB 3.42Å; G377-D381 PolarHBondContact O-N 3.05Å; G377-F382 PolarHBondContact O-N 3.35Å
378L96.8Very high94.6Very high0 Ų050.2 Ų50.20%024%0.242CC..Iπ-helixtrans-67.3-46.1174.6-69.1173.7000112F368 I374 R376 F382 L383 A420 L423 L424 L606 V610F368-L378 HydrophobicContact CD1-CD1 4.12Å; F368-L378 HydrophobicContact CE1-CD1 3.42Å; F368-L378 VanDerWaalsContact CE1-CD1 3.42Å; F368-L378 HydrophobicContact CZ-CD1 3.91Å; I374-L378 HydrophobicContact CG2-CD1 3.79Å; I374-L378 HydrophobicContact CG2-CG 4.28Å; I374-L378 WeakPolarHBondContact O-CB 3.45Å; I374-L378 WeakPolarHBondContact O-CG 3.45Å; I374-L378 PolarHBondContact O-N 2.81Å; R376-L378 VanDerWaalsContact C-N 3.31Å; R376-L378 PolarHBondContact O-N 3.49Å; L378-F382 HydrophobicContact CD2-CD1 4.26Å; L378-F382 WeakPolarHBondContact O-CB 3.43Å; L378-F382 PolarHBondContact O-N 3.38Å; L378-L383 WeakPolarHBondContact O-CB 3.14Å; L378-L383 VanDerWaalsContact O-CG 3.3Å; L378-L383 WeakPolarHBondContact O-CG 3.31Å; L378-L383 PolarHBondContact O-N 3.39Å; L378-A420 HydrophobicContact CD2-CB 4.17Å; L378-L423 HydrophobicContact CD2-CB 4.47Å; L378-L423 HydrophobicContact CD2-CD1 4.14Å; L378-L423 HydrophobicContact CG-CD1 4.31Å; L378-L424 HydrophobicContact CD1-CD2 3.85Å; L378-L606 HydrophobicContact CD1-CD1 4.24Å; L378-L606 HydrophobicContact CD2-CD2 4.35Å; L378-V610 HydrophobicContact CB-CG2 4.26Å; L378-V610 HydrophobicContact CD1-CG2 4.11Å
379H96.5Very high94.4Very high15 Ų1550 Ų507%0.06924%0.241CC..Iπ-helixtrans-70.9-50.9-175.6-169.3-116000113.7N334 R336 R375 R376 R384 V610 I614N334-H379 PolarHBondContact O-NE2 3.36Å; R336-H379 PolarHBondContact NE-CE1 3.47Å; R336-H379 PolarHBondContact NE-ND1 2.97Å; R336-H379 PolarHBondContact NE-NE2 3.13Å; R336-H379 PolarHBondContact NH2-CE1 3.46Å; R336-H379 PolarHBondContact NH2-ND1 3.4Å; R375-H379 WeakPolarHBondContact O-CB 3.47Å; R375-H379 PolarHBondContact O-N 3.13Å; R376-H379 PolarHBondContact O-N 3.4Å; H379-R384 PolarHBondContact O-N 3.01Å; H379-V610 HydrophobicContact CB-CG1 3.99Å; H379-I614 HydrophobicContact CB-CD1 3.94Å; H379-I614 WeakPolarHBondContact CD2-CD1 3.32Å; H379-I614 VanDerWaalsContact CG-CD1 3.41Å; H379-I614 VanDerWaalsContact NE2-CD1 3.35Å; H379-I614 WeakPolarHBondContact NE2-CD1 3.15Å
380E94.5Very high93.9Very high104 Ų10449.3 Ų49.349%0.48624%0.236SC..Iπ-helixtrans-87-34.1-169.5-62.3-169.2156.800112.9R376R376-E380 PolarHBondContact O-N 2.83Å
381D94Very high93.4Very high59 Ų5946.4 Ų46.432%0.31622%0.22SC..Iπ-helixtrans-103.3-38.6-173.7-63.5-46.3000114.1G377 R385 Y419G377-D381 WeakPolarHBondContact O-CB 3.42Å; G377-D381 PolarHBondContact O-N 3.05Å; D381-R385 WeakPolarHBondContact O-CD 2.83Å; D381-R385 VanDerWaalsContact O-CG 3.31Å; D381-R385 WeakPolarHBondContact O-CG 3.44Å; D381-R385 PolarHBondContact O-NE 3.22Å; D381-R385 IonicContact OD1-NH2 2.71Å; D381-Y419 HydrophobicContact CB-CE1 3.76Å; D381-Y419 PolarHBondContact OD2-OH 3.23Å
382F95.9Very high93Very high0 Ų043.2 Ų43.20%021%0.205CC..Iπ-helixtrans-89.7-71.8-178.5178.9-115.4000112G377 L378 R384 R385 I386 R416 L417 Y419 A420 T603 L606G377-F382 PolarHBondContact O-N 3.35Å; L378-F382 HydrophobicContact CD2-CD1 4.26Å; L378-F382 WeakPolarHBondContact O-CB 3.43Å; L378-F382 PolarHBondContact O-N 3.38Å; F382-R384 VanDerWaalsContact C-N 3.34Å; F382-R384 PolarHBondContact O-N 3.16Å; F382-R385 PolarHBondContact O-N 2.91Å; F382-I386 HydrophobicContact CD2-CD1 4.31Å; F382-I386 HydrophobicContact CE1-CG1 4.37Å; F382-I386 HydrophobicContact CE2-CD1 3.71Å; F382-I386 HydrophobicContact CE2-CG1 4.27Å; F382-I386 HydrophobicContact CZ-CD1 3.85Å; F382-I386 HydrophobicContact CZ-CG1 4.14Å; F382-I386 PolarHBondContact O-N 3.04Å; F382-R416 HydrophobicContact CD2-CB 3.87Å; F382-R416 HydrophobicContact CE2-CB 3.93Å; F382-L417 HydrophobicContact CE2-CD2 4.1Å; F382-L417 HydrophobicContact CZ-CD2 3.85Å; F382-Y419 HydrophobicContact CB-CD1 4.34Å; F382-A420 HydrophobicContact CD1-CB 3.73Å; F382-A420 HydrophobicContact CD2-CB 3.78Å; F382-A420 HydrophobicContact CE1-CB 3.66Å; F382-A420 HydrophobicContact CE2-CB 3.7Å; F382-A420 HydrophobicContact CG-CB 3.81Å; F382-A420 HydrophobicContact CZ-CB 3.65Å; F382-T603 HydrophobicContact CZ-CG2 4.47Å; F382-L606 HydrophobicContact CD1-CD2 4.27Å; F382-L606 HydrophobicContact CE1-CD2 3.94Å
383L96Very high92.6Very high0 Ų040.6 Ų40.60%019%0.19CC..G310 helixtrans-59.8-40-170.2-68.9168000112.7R336 T337 L378 R385 I386 L606 D607 V610R336-L383 HydrophobicContact CB-CB 3.98Å; R336-L383 HydrophobicContact CG-CB 4.46Å; T337-L383 HydrophobicContact CG2-CB 4.47Å; T337-L383 HydrophobicContact CG2-CD2 4.44Å; T337-L383 WeakPolarHBondContact CG2-O 3.45Å; L378-L383 WeakPolarHBondContact O-CB 3.14Å; L378-L383 VanDerWaalsContact O-CG 3.3Å; L378-L383 WeakPolarHBondContact O-CG 3.31Å; L378-L383 PolarHBondContact O-N 3.39Å; L383-R385 PolarHBondContact O-N 3.18Å; L383-I386 PolarHBondContact O-N 3.2Å; L383-I386 VanDerWaalsContact O-N 3.08Å; L383-L606 HydrophobicContact CD2-CD2 4.35Å; L383-L606 HydrophobicContact CD2-CG 4.47Å; L383-D607 HydrophobicContact CD1-CB 4.17Å; L383-D607 HydrophobicContact CD2-CB 3.89Å; L383-V610 HydrophobicContact CD1-CB 4.08Å; L383-V610 HydrophobicContact CD1-CG1 4.14Å; L383-V610 HydrophobicContact CD1-CG2 4.19Å
384R94Very high91.8Very high172 Ų17239.7 Ų39.765%0.64917%0.17SC*.G310 helixtrans-55.6-25.5175.4-176.2175.9179.7-176.51.5113.9R336 H379 F382R336-R384 HydrophobicContact CB-CB 4.46Å; R336-R384 HydrophobicContact CG-CB 4.48Å; H379-R384 PolarHBondContact O-N 3.01Å; F382-R384 VanDerWaalsContact C-N 3.34Å; F382-R384 PolarHBondContact O-N 3.16Å
385R93.3Very high91Very high125 Ų12542.8 Ų42.847%0.47218%0.181SC..G310 helixtrans-104.83.4-176.2-41.3-179.9179.6167.3-1.2112.9D381 F382 L383 R416D381-R385 WeakPolarHBondContact O-CD 2.83Å; D381-R385 VanDerWaalsContact O-CG 3.31Å; D381-R385 WeakPolarHBondContact O-CG 3.44Å; D381-R385 PolarHBondContact O-NE 3.22Å; D381-R385 IonicContact OD1-NH2 2.71Å; F382-R385 PolarHBondContact O-N 2.91Å; L383-R385 PolarHBondContact O-N 3.18Å; R385-R416 VanDerWaalsContact CD-CZ 3.46Å; R385-R416 PolarHBondContact O-NH1 2.69Å
386I94.2Very high90.4Very high10 Ų1041.8 Ų41.85%0.05118%0.178CC..  trans-82.3122.7172.8-61.5-60.5000108.6T337 F382 L383 L389 A413T337-I386 HydrophobicContact CG2-CB 3.96Å; T337-I386 HydrophobicContact CG2-CG2 4.22Å; F382-I386 HydrophobicContact CD2-CD1 4.31Å; F382-I386 HydrophobicContact CE1-CG1 4.37Å; F382-I386 HydrophobicContact CE2-CD1 3.71Å; F382-I386 HydrophobicContact CE2-CG1 4.27Å; F382-I386 HydrophobicContact CZ-CD1 3.85Å; F382-I386 HydrophobicContact CZ-CG1 4.14Å; F382-I386 PolarHBondContact O-N 3.04Å; L383-I386 PolarHBondContact O-N 3.2Å; L383-I386 VanDerWaalsContact O-N 3.08Å; I386-L389 HydrophobicContact CG2-CD1 4.32Å; I386-L389 HydrophobicContact CG2-CG 4.42Å; I386-A413 HydrophobicContact CD1-CB 3.9Å
387P92.1Very high89.5Confident31 Ų3135.3 Ų35.320%0.20115%0.154CC..  trans-76.2172.2175.735-36000111.2Q339 L389 L392 A413Q339-P387 PolarHBondContact NE2-O 2.87Å; P387-L389 HydrophobicContact CG-CD2 4.13Å; P387-L389 PolarHBondContact O-N 3.16Å; P387-L392 HydrophobicContact CB-CD1 3.56Å; P387-L392 HydrophobicContact CG-CD1 3.48Å; P387-L392 VanDerWaalsContact CG-CD1 3.48Å; P387-A413 HydrophobicContact CG-CB 4.36Å
388D89.7Confident88.4Confident27 Ų2738.9 Ų38.914%0.14417%0.168CC..  trans-69.492.4170.4-172.5-24000110A338 R342 Q390 R391 L392A338-D388 HydrophobicContact CB-CB 4.24Å; R342-D388 IonicContact CZ-OD1 2.79Å; R342-D388 IonicContact CZ-OD2 3.95Å; R342-D388 IonicContact NH1-OD2 2.73Å; R342-D388 IonicContact NH2-OD1 3.88Å; R342-D388 PolarHBondContact NH2-OD1 3.26Å; R342-D388 IonicContact NH2-OD2 3.52Å; R342-D388 PolarHBondContact NH2-OD2 3.01Å; D388-Q390 VanDerWaalsContact C-N 3.32Å; D388-Q390 PolarHBondContact O-N 3.27Å; D388-Q390 PolarHBondContact OD1-N 3.12Å; D388-R391 HydrophobicContact CB-CB 4.28Å; D388-R391 PolarHBondContact O-N 2.8Å; D388-R391 PolarHBondContact OD1-N 2.69Å; D388-R391 WeakPolarHBondContact OD2-CD 3.42Å; D388-R391 VanDerWaalsContact OD2-CG 3.31Å; D388-R391 WeakPolarHBondContact OD2-CG 3.3Å; D388-R391 IonicContact OD2-NE 3.66Å; D388-R391 PolarHBondContact OD2-NE 2.9Å; D388-L392 WeakPolarHBondContact O-CB 3.3Å; D388-L392 WeakPolarHBondContact O-CG 3.35Å; D388-L392 PolarHBondContact O-N 2.94Å
389L91Very high87Confident0 Ų041.1 Ų41.10%018%0.179CC..Hα-helixtrans-65.2-36.3-175.6-68.8175.7000111.8I386 P387 L392 G393 I410 A413 I596 L599 N600I386-L389 HydrophobicContact CG2-CD1 4.32Å; I386-L389 HydrophobicContact CG2-CG 4.42Å; P387-L389 HydrophobicContact CG-CD2 4.13Å; P387-L389 PolarHBondContact O-N 3.16Å; L389-L392 PolarHBondContact O-N 3.28Å; L389-G393 PolarHBondContact O-N 2.96Å; L389-I410 HydrophobicContact CD2-CG1 4.36Å; L389-A413 HydrophobicContact CD2-CB 4.26Å; L389-I596 HydrophobicContact CB-CG2 4.19Å; L389-L599 HydrophobicContact CD1-CB 4.22Å; L389-L599 HydrophobicContact CD1-CD2 3.76Å; L389-L599 HydrophobicContact CD1-CG 3.65Å; L389-N600 HydrophobicContact CB-CB 3.9Å; L389-N600 HydrophobicContact CD1-CB 4.45Å
390Q85.1Confident85.2Confident18 Ų1849.7 Ų49.78%0.08422%0.216CC..Hα-helixtrans-61.2-47.6177.3-168.8173.18.500111.7E157 S158 D388 G393 R394 N600E157-Q390 WeakPolarHBondContact O-CG 3.38Å; E157-Q390 PolarHBondContact O-NE2 3.16Å; S158-Q390 VanDerWaalsContact CA-NE2 3.28Å; D388-Q390 VanDerWaalsContact C-N 3.32Å; D388-Q390 PolarHBondContact O-N 3.27Å; D388-Q390 PolarHBondContact OD1-N 3.12Å; Q390-G393 PolarHBondContact O-N 3.19Å; Q390-R394 PolarHBondContact O-N 2.83Å; Q390-R394 VanDerWaalsContact O-N 3.16Å; Q390-N600 PolarHBondContact N-OD1 3.07Å
391R81.7Confident83.5Confident40 Ų4048.4 Ų48.415%0.15123%0.231CC..Hα-helixtrans-68.8-36.4176.1-72.3-174.2-178.11766.4112.7V130 D388 R394 R395V130-R391 VanDerWaalsContact N-NH2 3.16Å; V130-R391 PolarHBondContact O-NH2 3.31Å; D388-R391 HydrophobicContact CB-CB 4.28Å; D388-R391 PolarHBondContact O-N 2.8Å; D388-R391 PolarHBondContact OD1-N 2.69Å; D388-R391 WeakPolarHBondContact OD2-CD 3.42Å; D388-R391 VanDerWaalsContact OD2-CG 3.31Å; D388-R391 WeakPolarHBondContact OD2-CG 3.3Å; D388-R391 IonicContact OD2-NE 3.66Å; D388-R391 PolarHBondContact OD2-NE 2.9Å; R391-R394 PolarHBondContact O-N 3.25Å; R391-R395 PolarHBondContact O-N 2.74Å; R391-R395 VanDerWaalsContact O-N 3.13Å
392L85.7Confident81.9Confident4 Ų446.4 Ų46.42%0.02122%0.221CC..Hα-helixtrans-63.2-45.5174.7-80.6164.6000111.6P387 D388 L389 R394 R395 L396 D406 R409 I410P387-L392 HydrophobicContact CB-CD1 3.56Å; P387-L392 HydrophobicContact CG-CD1 3.48Å; P387-L392 VanDerWaalsContact CG-CD1 3.48Å; D388-L392 WeakPolarHBondContact O-CB 3.3Å; D388-L392 WeakPolarHBondContact O-CG 3.35Å; D388-L392 PolarHBondContact O-N 2.94Å; L389-L392 PolarHBondContact O-N 3.28Å; L392-R394 VanDerWaalsContact C-N 3.33Å; L392-R394 PolarHBondContact O-N 2.7Å; L392-R395 PolarHBondContact O-N 3.5Å; L392-L396 PolarHBondContact O-N 3.49Å; L392-D406 HydrophobicContact CD2-CB 3.73Å; L392-D406 WeakPolarHBondContact CD2-OD1 3.36Å; L392-R409 HydrophobicContact CD1-CB 4.11Å; L392-R409 HydrophobicContact CD2-CB 4.32Å; L392-I410 HydrophobicContact CB-CD1 4.09Å; L392-I410 HydrophobicContact CB-CG1 4.13Å; L392-I410 HydrophobicContact CD1-CG1 4.05Å
393G85.2Confident81Confident3 Ų347.6 Ų47.63%0.03123%0.234CC..Hα-helixtrans-57.3-44.4175.600000112.2L389 Q390 R395 L396 K397 L593L389-G393 PolarHBondContact O-N 2.96Å; Q390-G393 PolarHBondContact O-N 3.19Å; G393-R395 PolarHBondContact O-N 2.89Å; G393-L396 PolarHBondContact O-N 3.38Å; G393-K397 WeakPolarHBondContact O-CB 3.2Å; G393-K397 PolarHBondContact O-N 3.06Å; G393-L593 WeakPolarHBondContact O-CD2 3.37Å
394R77.9Confident80.5Confident34 Ų3448 Ų4813%0.12824%0.236CC..Hα-helixtrans-60.8-43175.1-74.8171.8132.5-151.55.1113.6E120 T156 E157 Q390 R391 L392 K397 K398E120-R394 IonicContact OE1-NH1 3.79Å; E120-R394 PolarHBondContact OE1-NH1 3.37Å; T156-R394 VanDerWaalsContact CB-NH2 3.28Å; T156-R394 PolarHBondContact O-NE 3.48Å; T156-R394 PolarHBondContact O-NH2 3.35Å; T156-R394 PolarHBondContact OG1-NH2 3.26Å; E157-R394 VanDerWaalsContact CG-NH1 3.33Å; Q390-R394 PolarHBondContact O-N 2.83Å; Q390-R394 VanDerWaalsContact O-N 3.16Å; R391-R394 PolarHBondContact O-N 3.25Å; L392-R394 VanDerWaalsContact C-N 3.33Å; L392-R394 PolarHBondContact O-N 2.7Å; R394-K397 WeakPolarHBondContact O-CB 3.46Å; R394-K397 PolarHBondContact O-N 3.14Å; R394-K398 PolarHBondContact O-N 3.18Å
395R79.4Confident80.3Confident71 Ų7143.5 Ų43.527%0.26822%0.222SC..Hα-helixtrans-66.5-44.7178.4-73.2-169.9-66.5139.45.3111.5R391 L392 G393 K397 K398 I399 S402 D406R391-R395 PolarHBondContact O-N 2.74Å; R391-R395 VanDerWaalsContact O-N 3.13Å; L392-R395 PolarHBondContact O-N 3.5Å; G393-R395 PolarHBondContact O-N 2.89Å; R395-K397 PolarHBondContact O-N 2.93Å; R395-K398 PolarHBondContact O-N 3.26Å; R395-K398 VanDerWaalsContact O-N 3.1Å; R395-I399 PolarHBondContact O-N 3.26Å; R395-S402 WeakPolarHBondContact O-CB 3Å; R395-D406 IonicContact CZ-OD1 2.76Å; R395-D406 IonicContact CZ-OD2 3.63Å; R395-D406 VanDerWaalsContact NH1-CG 3.28Å; R395-D406 IonicContact NH1-OD1 3.66Å; R395-D406 PolarHBondContact NH1-OD1 3.28Å; R395-D406 IonicContact NH1-OD2 2.83Å; R395-D406 PolarHBondContact NH1-OD2 3.46Å; R395-D406 VanDerWaalsContact NH1-OD2 3.11Å; R395-D406 IonicContact NH2-OD1 3.83Å; R395-D406 PolarHBondContact NH2-OD1 3.05Å; R395-D406 IonicContact NH2-OD2 3.73Å
396L82.8Confident80Confident0 Ų037.7 Ų37.70%020%0.2CC..Hα-helixtrans-54.4-39.7172.6-76.3-177.8000111.9L392 G393 I399 D406 V407 I410 A589 I596L392-L396 PolarHBondContact O-N 3.49Å; G393-L396 PolarHBondContact O-N 3.38Å; L396-I399 PolarHBondContact O-N 3.04Å; L396-D406 HydrophobicContact CD2-CB 4.36Å; L396-V407 HydrophobicContact CD2-CG2 3.66Å; L396-I410 HydrophobicContact CD1-CD1 3.23Å; L396-I410 HydrophobicContact CG-CD1 4.11Å; L396-A589 HydrophobicContact CD2-CB 4.45Å; L396-I596 HydrophobicContact CD1-CD1 4.02Å
397K77.1Confident79.9Confident23 Ų2337.2 Ų37.210%0.120%0.198CC..Hα-helixtrans-64.5-46.2176.9-161.7172.5-161.5-166.20111.9M287 G393 R394 R395 I399 L593M287-K397 HydrophobicContact CB-CG 4.46Å; M287-K397 HydrophobicContact CE-CG 3.68Å; M287-K397 WeakPolarHBondContact CE-O 3.35Å; M287-K397 WeakPolarHBondContact O-CE 3.5Å; M287-K397 PolarHBondContact O-NZ 2.8Å; G393-K397 WeakPolarHBondContact O-CB 3.2Å; G393-K397 PolarHBondContact O-N 3.06Å; R394-K397 WeakPolarHBondContact O-CB 3.46Å; R394-K397 PolarHBondContact O-N 3.14Å; R395-K397 PolarHBondContact O-N 2.93Å; K397-I399 PolarHBondContact O-N 3.07Å; K397-L593 HydrophobicContact CB-CD1 4.03Å; K397-L593 HydrophobicContact CD-CD1 4Å; K397-L593 HydrophobicContact CG-CD1 3.94Å
398K73.5Confident79.9Confident81 Ų8136.9 Ų36.935%0.35219%0.193SC..Hα-helixtrans-57.8-20.5179.3-74.7176.6173.8174.20113.3E120 R394 R395 K400E120-K398 IonicContact OE2-NZ 2.92Å; E120-K398 PolarHBondContact OE2-NZ 2.54Å; R394-K398 PolarHBondContact O-N 3.18Å; R395-K398 PolarHBondContact O-N 3.26Å; R395-K398 VanDerWaalsContact O-N 3.1Å; K398-K400 PolarHBondContact O-N 3.2Å
399I68.3Low80Confident47 Ų4740 Ų4024%0.24120%0.203CC..  trans57.7-62-174.9-61.8167.1000111.6R395 L396 K397 G401 S402 V586R395-I399 PolarHBondContact O-N 3.26Å; L396-I399 PolarHBondContact O-N 3.04Å; K397-I399 PolarHBondContact O-N 3.07Å; I399-G401 PolarHBondContact O-N 3.17Å; I399-G401 VanDerWaalsContact O-N 3.12Å; I399-S402 PolarHBondContact O-N 2.95Å; I399-S402 VanDerWaalsContact O-N 3.08Å; I399-S402 PolarHBondContact O-OG 3.05Å; I399-V586 HydrophobicContact CG2-CG1 4.37Å
400K57.7Low80.1Confident195 Ų19540.1 Ų40.185%0.84820%0.203SC*.THydrogen-bonded Turntrans-61.7107.5170.5-64.7-176.9-180177.90109.8K398K398-K400 PolarHBondContact O-N 3.2Å
401G58Low80.6Confident76 Ų7639.9 Ų39.978%0.78420%0.202SC*.THydrogen-bonded Turntrans105-12.3-17900000114.4I399I399-G401 PolarHBondContact O-N 3.17Å; I399-G401 VanDerWaalsContact O-N 3.12Å
402S62.1Low81.1Confident17 Ų1741 Ų4112%0.11921%0.209CC..  trans-82.814316665.50000110.4R395 I399 V586R395-S402 WeakPolarHBondContact O-CB 3Å; I399-S402 PolarHBondContact O-N 2.95Å; I399-S402 VanDerWaalsContact O-N 3.08Å; I399-S402 PolarHBondContact O-OG 3.05Å; S402-V586 WeakPolarHBondContact OG-CG1 3.27Å
403G75.7Confident81.5Confident26 Ų2640.8 Ų40.827%0.26821%0.208SC..  trans-126.2174.617500000111.3Q405 D406G403-Q405 PolarHBondContact O-N 3.21Å; G403-D406 PolarHBondContact O-N 3.14Å
404L86.7Confident82Confident8 Ų841.2 Ų41.24%0.04221%0.21CC..Hα-helixtrans-52.9-27.2170.9-68.8-177.7000112.7D406 V407 Y408 I461 F472 V474 V582 V585L404-D406 VanDerWaalsContact C-N 3.31Å; L404-D406 PolarHBondContact O-N 2.9Å; L404-V407 PolarHBondContact O-N 3.35Å; L404-Y408 VanDerWaalsContact O-CB 3.32Å; L404-Y408 WeakPolarHBondContact O-CB 3.41Å; L404-Y408 PolarHBondContact O-N 2.95Å; L404-I461 HydrophobicContact CB-CD1 4.24Å; L404-I461 HydrophobicContact CD2-CD1 4.02Å; L404-I461 HydrophobicContact CD2-CG1 4.19Å; L404-F472 HydrophobicContact CB-CB 3.67Å; L404-F472 HydrophobicContact CD1-CB 4.41Å; L404-V474 HydrophobicContact CD1-CG2 3.89Å; L404-V582 HydrophobicContact CD1-CG2 3.78Å; L404-V582 HydrophobicContact CD2-CG1 4.22Å; L404-V582 HydrophobicContact CD2-CG2 4.26Å; L404-V582 HydrophobicContact CG-CB 4.46Å; L404-V582 HydrophobicContact CG-CG1 4.02Å; L404-V582 HydrophobicContact CG-CG2 3.86Å; L404-V585 HydrophobicContact CD2-CB 4.24Å; L404-V585 HydrophobicContact CD2-CG1 3.87Å
405Q89.1Confident82.7Confident77 Ų7743.1 Ų43.136%0.3622%0.222SC..Hα-helixtrans-56.5-42.1174.3-177171.935.700112.9G403 Y408 R409 F472G403-Q405 PolarHBondContact O-N 3.21Å; Q405-Y408 PolarHBondContact O-N 3.45Å; Q405-R409 WeakPolarHBondContact O-CG 3.39Å; Q405-R409 PolarHBondContact O-N 3.26Å; Q405-F472 HydrophobicContact CB-CD1 4.43Å; Q405-F472 HydrophobicContact CB-CD2 3.63Å; Q405-F472 HydrophobicContact CB-CE1 4.4Å; Q405-F472 HydrophobicContact CB-CE2 3.59Å; Q405-F472 HydrophobicContact CB-CG 4.09Å; Q405-F472 HydrophobicContact CB-CZ 4Å; Q405-F472 HydrophobicContact CG-CD2 4.1Å; Q405-F472 HydrophobicContact CG-CE1 4.37Å; Q405-F472 HydrophobicContact CG-CE2 3.49Å; Q405-F472 VanDerWaalsContact CG-CE2 3.49Å; Q405-F472 HydrophobicContact CG-CZ 3.66Å
406D88Confident83.4Confident3 Ų342.7 Ų42.72%0.01622%0.22CC..Hα-helixtrans-71.9-41.8-177.1-67.6-34.8000111.2L392 R395 L396 G403 L404 Y408 R409 I410L392-D406 HydrophobicContact CD2-CB 3.73Å; L392-D406 WeakPolarHBondContact CD2-OD1 3.36Å; R395-D406 IonicContact CZ-OD1 2.76Å; R395-D406 IonicContact CZ-OD2 3.63Å; R395-D406 VanDerWaalsContact NH1-CG 3.28Å; R395-D406 IonicContact NH1-OD1 3.66Å; R395-D406 PolarHBondContact NH1-OD1 3.28Å; R395-D406 IonicContact NH1-OD2 2.83Å; R395-D406 PolarHBondContact NH1-OD2 3.46Å; R395-D406 VanDerWaalsContact NH1-OD2 3.11Å; R395-D406 IonicContact NH2-OD1 3.83Å; R395-D406 PolarHBondContact NH2-OD1 3.05Å; R395-D406 IonicContact NH2-OD2 3.73Å; L396-D406 HydrophobicContact CD2-CB 4.36Å; G403-D406 PolarHBondContact O-N 3.14Å; L404-D406 VanDerWaalsContact C-N 3.31Å; L404-D406 PolarHBondContact O-N 2.9Å; D406-Y408 VanDerWaalsContact C-N 3.32Å; D406-Y408 PolarHBondContact O-N 2.93Å; D406-R409 PolarHBondContact O-N 2.98Å; D406-I410 PolarHBondContact O-N 2.96Å; D406-I410 VanDerWaalsContact O-N 3.17Å
407V91.7Very high84Confident0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-58.5-46.3172.8-177.80000110.3L396 L404 R409 I410 Y411 F453 V457 I461 V586 A589L396-V407 HydrophobicContact CD2-CG2 3.66Å; L404-V407 PolarHBondContact O-N 3.35Å; V407-R409 PolarHBondContact O-N 3.37Å; V407-I410 PolarHBondContact O-N 3.34Å; V407-Y411 PolarHBondContact O-N 2.66Å; V407-F453 HydrophobicContact CG1-CE2 4.24Å; V407-F453 HydrophobicContact CG1-CZ 3.89Å; V407-V457 HydrophobicContact CG1-CG2 3.61Å; V407-I461 HydrophobicContact CG1-CD1 4.45Å; V407-V586 HydrophobicContact CG2-CG2 4.32Å; V407-A589 HydrophobicContact CG1-CB 4.1Å; V407-A589 HydrophobicContact CG2-CB 3.84Å
408Y92.3Very high84.9Confident24 Ų2444.7 Ų44.79%0.09424%0.235CC..Hα-helixtrans-63.7-37.9178.5178.7-98.4000112.8L404 Q405 D406 I410 Y411 Q412 L463 V466 F472L404-Y408 VanDerWaalsContact O-CB 3.32Å; L404-Y408 WeakPolarHBondContact O-CB 3.41Å; L404-Y408 PolarHBondContact O-N 2.95Å; Q405-Y408 PolarHBondContact O-N 3.45Å; D406-Y408 VanDerWaalsContact C-N 3.32Å; D406-Y408 PolarHBondContact O-N 2.93Å; Y408-I410 PolarHBondContact O-N 3.43Å; Y408-Y411 HydrophobicContact CD2-CD1 4.12Å; Y408-Y411 HydrophobicContact CE2-CD1 4.21Å; Y408-Y411 HydrophobicContact CE2-CE1 4.47Å; Y408-Y411 WeakPolarHBondContact O-CB 3.39Å; Y408-Y411 PolarHBondContact O-N 3.22Å; Y408-Q412 HydrophobicContact CD1-CG 4.17Å; Y408-Q412 HydrophobicContact CE1-CG 3.76Å; Y408-Q412 HydrophobicContact CE2-CG 4.47Å; Y408-Q412 WeakPolarHBondContact O-CG 3.34Å; Y408-Q412 PolarHBondContact O-N 2.93Å; Y408-Q412 PolarHBondContact OH-NE2 3.42Å; Y408-Q412 VanDerWaalsContact OH-NE2 3.08Å; Y408-L463 HydrophobicContact CD2-CD2 4.08Å; Y408-L463 HydrophobicContact CE2-CD2 3.84Å; Y408-V466 HydrophobicContact CD1-CG1 4.42Å; Y408-V466 HydrophobicContact CE1-CG1 3.91Å; Y408-V466 HydrophobicContact CE2-CG1 4.09Å; Y408-F472 HydrophobicContact CD1-CD1 4.33Å; Y408-F472 AromaticContact CD1-CE1 3.46Å; Y408-F472 HydrophobicContact CD1-CE1 3.46Å; Y408-F472 VanDerWaalsContact CD1-CE1 3.46Å; Y408-F472 HydrophobicContact CD1-CZ 4.28Å; Y408-F472 HydrophobicContact CE1-CE1 4.07Å; Y408-F472 HydrophobicContact CG-CD1 4.19Å; Y408-F472 AromaticContact CG-CE1 3.76Å; Y408-F472 HydrophobicContact CG-CE1 3.76Å
409R91.9Very high85.9Confident94 Ų9445.2 Ų45.236%0.35524%0.236SC..Hα-helixtrans-63.4-39.5175.3-74.9175-175.4-174.47.2112.4L392 Q405 D406 V407 Q412 A413L392-R409 HydrophobicContact CD1-CB 4.11Å; L392-R409 HydrophobicContact CD2-CB 4.32Å; Q405-R409 WeakPolarHBondContact O-CG 3.39Å; Q405-R409 PolarHBondContact O-N 3.26Å; D406-R409 PolarHBondContact O-N 2.98Å; V407-R409 PolarHBondContact O-N 3.37Å; R409-Q412 PolarHBondContact O-N 2.96Å; R409-A413 PolarHBondContact O-N 3.37Å
410I93.2Very high87.2Confident1 Ų143 Ų431%0.00522%0.224CC..Hα-helixtrans-65.4-44.6174.1-67.1159.7000109.9L389 L392 L396 D406 V407 Y408 Q412 A413 V414 F453 I596L389-I410 HydrophobicContact CD2-CG1 4.36Å; L392-I410 HydrophobicContact CB-CD1 4.09Å; L392-I410 HydrophobicContact CB-CG1 4.13Å; L392-I410 HydrophobicContact CD1-CG1 4.05Å; L396-I410 HydrophobicContact CD1-CD1 3.23Å; L396-I410 HydrophobicContact CG-CD1 4.11Å; D406-I410 PolarHBondContact O-N 2.96Å; D406-I410 VanDerWaalsContact O-N 3.17Å; V407-I410 PolarHBondContact O-N 3.34Å; Y408-I410 PolarHBondContact O-N 3.43Å; I410-Q412 VanDerWaalsContact C-N 3.31Å; I410-Q412 PolarHBondContact O-N 3.39Å; I410-A413 WeakPolarHBondContact O-CA 3.5Å; I410-A413 WeakPolarHBondContact O-CB 3.25Å; I410-A413 PolarHBondContact O-N 3.12Å; I410-V414 HydrophobicContact CG2-CG2 4.35Å; I410-V414 WeakPolarHBondContact O-CG2 3.36Å; I410-V414 PolarHBondContact O-N 3.3Å; I410-F453 HydrophobicContact CB-CE1 4.37Å; I410-F453 HydrophobicContact CB-CZ 4.12Å; I410-F453 HydrophobicContact CG2-CE1 3.83Å; I410-F453 HydrophobicContact CG2-CZ 3.78Å; I410-I596 HydrophobicContact CD1-CD1 3.87Å; I410-I596 HydrophobicContact CG2-CD1 4.29Å; I410-I596 HydrophobicContact CG2-CG1 4.26Å
411Y94.2Very high89Confident13 Ų1334.2 Ų34.25%0.05119%0.187CC..Hα-helixtrans-55.9-43.9175.2169.6-99.8000112.6V407 Y408 A413 V414 L415 K454 V457 E458 L463V407-Y411 PolarHBondContact O-N 2.66Å; Y408-Y411 HydrophobicContact CD2-CD1 4.12Å; Y408-Y411 HydrophobicContact CE2-CD1 4.21Å; Y408-Y411 HydrophobicContact CE2-CE1 4.47Å; Y408-Y411 WeakPolarHBondContact O-CB 3.39Å; Y408-Y411 PolarHBondContact O-N 3.22Å; Y411-A413 VanDerWaalsContact C-N 3.26Å; Y411-A413 PolarHBondContact O-N 3.05Å; Y411-V414 PolarHBondContact O-N 3.27Å; Y411-L415 HydrophobicContact CD1-CD1 3.99Å; Y411-L415 HydrophobicContact CD1-CG 4.33Å; Y411-L415 HydrophobicContact CD2-CG 4.41Å; Y411-L415 HydrophobicContact CE1-CD1 3.32Å; Y411-L415 HydrophobicContact CE1-CG 3.92Å; Y411-L415 HydrophobicContact CE2-CD1 4.26Å; Y411-L415 HydrophobicContact CE2-CD2 4.02Å; Y411-L415 HydrophobicContact CE2-CG 4.03Å; Y411-L415 VanDerWaalsContact CZ-CD1 3.47Å; Y411-L415 WeakPolarHBondContact O-CG 3.39Å; Y411-L415 PolarHBondContact O-N 3.42Å; Y411-K454 HydrophobicContact CD2-CG 4.32Å; Y411-K454 HydrophobicContact CE2-CB 4.48Å; Y411-K454 HydrophobicContact CE2-CG 3.67Å; Y411-V457 HydrophobicContact CD1-CG1 3.98Å; Y411-V457 HydrophobicContact CD2-CB 3.71Å; Y411-V457 HydrophobicContact CD2-CG1 3.64Å; Y411-V457 HydrophobicContact CD2-CG2 4.25Å; Y411-V457 HydrophobicContact CE1-CG1 4.4Å; Y411-V457 HydrophobicContact CE2-CB 4.19Å; Y411-V457 HydrophobicContact CE2-CG1 4.08Å; Y411-V457 HydrophobicContact CG-CB 4.11Å; Y411-V457 HydrophobicContact CG-CG1 3.58Å; Y411-V457 HydrophobicContact CG-CG2 4.46Å; Y411-E458 HydrophobicContact CE2-CG 3.83Å; Y411-E458 VanDerWaalsContact OH-CG 3.32Å; Y411-E458 WeakPolarHBondContact OH-CG 3.33Å; Y411-E458 PolarHBondContact OH-OE1 3.38Å; Y411-L463 HydrophobicContact CE1-CD2 4.35Å
412Q92.7Very high90.8Very high64 Ų6433.1 Ų33.130%0.29917%0.167SC..Hα-helixtrans-61.2-32.2174.8-73-172-28.800113.5Y408 R409 I410 R416Y408-Q412 HydrophobicContact CD1-CG 4.17Å; Y408-Q412 HydrophobicContact CE1-CG 3.76Å; Y408-Q412 HydrophobicContact CE2-CG 4.47Å; Y408-Q412 WeakPolarHBondContact O-CG 3.34Å; Y408-Q412 PolarHBondContact O-N 2.93Å; Y408-Q412 PolarHBondContact OH-NE2 3.42Å; Y408-Q412 VanDerWaalsContact OH-NE2 3.08Å; R409-Q412 PolarHBondContact O-N 2.96Å; I410-Q412 VanDerWaalsContact C-N 3.31Å; I410-Q412 PolarHBondContact O-N 3.39Å; Q412-R416 WeakPolarHBondContact O-CG 3.35Å
413A93.9Very high92.4Very high0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-70.6-46.4174.400000110.9I386 P387 L389 R409 I410 Y411 L415 R416I386-A413 HydrophobicContact CD1-CB 3.9Å; P387-A413 HydrophobicContact CG-CB 4.36Å; L389-A413 HydrophobicContact CD2-CB 4.26Å; R409-A413 PolarHBondContact O-N 3.37Å; I410-A413 WeakPolarHBondContact O-CA 3.5Å; I410-A413 WeakPolarHBondContact O-CB 3.25Å; I410-A413 PolarHBondContact O-N 3.12Å; Y411-A413 VanDerWaalsContact C-N 3.26Å; Y411-A413 PolarHBondContact O-N 3.05Å; A413-L415 PolarHBondContact O-N 3.25Å; A413-R416 PolarHBondContact O-N 2.92Å; A413-R416 VanDerWaalsContact O-N 3.11Å
414V95.1Very high93.3Very high12 Ų1231.8 Ų31.87%0.07315%0.153CC..Hα-helixtrans-58.8-44.8178171.50000111.6I410 Y411 R416 L417 F450I410-V414 HydrophobicContact CG2-CG2 4.35Å; I410-V414 WeakPolarHBondContact O-CG2 3.36Å; I410-V414 PolarHBondContact O-N 3.3Å; Y411-V414 PolarHBondContact O-N 3.27Å; V414-R416 PolarHBondContact O-N 2.75Å; V414-L417 WeakPolarHBondContact O-CB 3.5Å; V414-L417 WeakPolarHBondContact O-CG 3.47Å; V414-L417 PolarHBondContact O-N 3.48Å; V414-L417 VanDerWaalsContact O-N 3.11Å; V414-F450 HydrophobicContact CB-CB 4.46Å; V414-F450 HydrophobicContact CG1-CB 3.55Å; V414-F450 HydrophobicContact CG1-CG 4.13Å; V414-F450 HydrophobicContact CG2-CB 4Å; V414-F450 HydrophobicContact CG2-CD1 3.8Å; V414-F450 HydrophobicContact CG2-CD2 3.85Å; V414-F450 HydrophobicContact CG2-CE1 4.21Å; V414-F450 HydrophobicContact CG2-CE2 4.3Å; V414-F450 HydrophobicContact CG2-CG 3.62Å; V414-F450 HydrophobicContact CG2-CZ 4.45Å
415L94.1Very high93.6Very high74 Ų7435.3 Ų35.339%0.38717%0.172SC..THydrogen-bonded Turntrans-58.9-21.3178.5-77.4-174.7000114Y411 A413 P418 K454Y411-L415 HydrophobicContact CD1-CD1 3.99Å; Y411-L415 HydrophobicContact CD1-CG 4.33Å; Y411-L415 HydrophobicContact CD2-CG 4.41Å; Y411-L415 HydrophobicContact CE1-CD1 3.32Å; Y411-L415 HydrophobicContact CE1-CG 3.92Å; Y411-L415 HydrophobicContact CE2-CD1 4.26Å; Y411-L415 HydrophobicContact CE2-CD2 4.02Å; Y411-L415 HydrophobicContact CE2-CG 4.03Å; Y411-L415 VanDerWaalsContact CZ-CD1 3.47Å; Y411-L415 WeakPolarHBondContact O-CG 3.39Å; Y411-L415 PolarHBondContact O-N 3.42Å; A413-L415 PolarHBondContact O-N 3.25Å; L415-P418 WeakPolarHBondContact O-CD 3.37Å; L415-K454 HydrophobicContact CD2-CD 4.24Å; L415-K454 HydrophobicContact CD2-CG 4.4Å
416R93.7Very high93.9Very high62 Ų6237.1 Ų37.123%0.23418%0.18CC..THydrogen-bonded Turntrans-95-12.2-178.2-66.9-179.6-178.5126.3-1.2113.6F382 R385 Q412 A413 V414 P418 Y419 A420F382-R416 HydrophobicContact CD2-CB 3.87Å; F382-R416 HydrophobicContact CE2-CB 3.93Å; R385-R416 VanDerWaalsContact CD-CZ 3.46Å; R385-R416 PolarHBondContact O-NH1 2.69Å; Q412-R416 WeakPolarHBondContact O-CG 3.35Å; A413-R416 PolarHBondContact O-N 2.92Å; A413-R416 VanDerWaalsContact O-N 3.11Å; V414-R416 PolarHBondContact O-N 2.75Å; R416-P418 VanDerWaalsContact C-CD 3.43Å; R416-P418 VanDerWaalsContact C-N 3.35Å; R416-Y419 WeakPolarHBondContact O-CB 3.49Å; R416-Y419 PolarHBondContact O-N 3.3Å; R416-Y419 VanDerWaalsContact O-N 3.1Å; R416-A420 PolarHBondContact O-N 3.35Å
417L94.9Very high94.1Very high0 Ų037.3 Ų37.30%018%0.181CC..Hα-helixtrans-56-42.3177.2-56.9178.9000113.1F382 V414 Y419 A420 V421 L443 A446 M447 L599F382-L417 HydrophobicContact CE2-CD2 4.1Å; F382-L417 HydrophobicContact CZ-CD2 3.85Å; V414-L417 WeakPolarHBondContact O-CB 3.5Å; V414-L417 WeakPolarHBondContact O-CG 3.47Å; V414-L417 PolarHBondContact O-N 3.48Å; V414-L417 VanDerWaalsContact O-N 3.11Å; L417-Y419 PolarHBondContact O-N 3.15Å; L417-A420 PolarHBondContact O-N 2.95Å; L417-A420 VanDerWaalsContact O-N 3.12Å; L417-V421 PolarHBondContact O-N 3.45Å; L417-L443 HydrophobicContact CD2-CD2 4.36Å; L417-A446 HydrophobicContact CD1-CB 4.49Å; L417-M447 HydrophobicContact CB-CG 3.46Å; L417-M447 VanDerWaalsContact CB-CG 3.46Å; L417-M447 HydrophobicContact CB-SD 3.92Å; L417-M447 HydrophobicContact CD1-CG 3.93Å; L417-M447 HydrophobicContact CG-CG 4.35Å; L417-L599 HydrophobicContact CD1-CD1 4.02Å; L417-L599 HydrophobicContact CD1-CD2 4.19Å; L417-L599 HydrophobicContact CD2-CD1 3.57Å; L417-L599 HydrophobicContact CD2-CD2 4.38Å; L417-L599 HydrophobicContact CG-CD1 4.45Å
418P95.3Very high94Very high64 Ų6442.9 Ų42.942%0.41622%0.215SC..Hα-helixtrans-58.4-35.6176.9-22.531.9000113L415 R416 S422 M447L415-P418 WeakPolarHBondContact O-CD 3.37Å; R416-P418 VanDerWaalsContact C-CD 3.43Å; R416-P418 VanDerWaalsContact C-N 3.35Å; P418-S422 VanDerWaalsContact O-CB 3.32Å; P418-S422 WeakPolarHBondContact O-CB 3.47Å; P418-S422 PolarHBondContact O-N 2.92Å; P418-S422 PolarHBondContact O-OG 3.25Å; P418-M447 HydrophobicContact CB-CE 4.04Å; P418-M447 HydrophobicContact CB-SD 4.48Å; P418-M447 HydrophobicContact CG-CE 3.74Å; P418-M447 HydrophobicContact CG-SD 4.25Å
419Y95.5Very high93.9Very high93 Ų9342.7 Ų42.737%0.36522%0.22SC..Hα-helixtrans-65.7-46.6176.6175.8-110.6000111.2D381 F382 R416 L417 V421 S422 L423D381-Y419 HydrophobicContact CB-CE1 3.76Å; D381-Y419 PolarHBondContact OD2-OH 3.23Å; F382-Y419 HydrophobicContact CB-CD1 4.34Å; R416-Y419 WeakPolarHBondContact O-CB 3.49Å; R416-Y419 PolarHBondContact O-N 3.3Å; R416-Y419 VanDerWaalsContact O-N 3.1Å; L417-Y419 PolarHBondContact O-N 3.15Å; Y419-V421 PolarHBondContact O-N 3.34Å; Y419-S422 PolarHBondContact O-N 2.93Å; Y419-S422 PolarHBondContact O-OG 2.91Å; Y419-L423 HydrophobicContact CD1-CD1 4.03Å; Y419-L423 HydrophobicContact CE1-CD1 3.47Å; Y419-L423 VanDerWaalsContact CE1-CD1 3.47Å; Y419-L423 HydrophobicContact CE1-CG 4.3Å; Y419-L423 HydrophobicContact CE2-CD1 4.16Å; Y419-L423 HydrophobicContact CE2-CD2 4.32Å; Y419-L423 HydrophobicContact CE2-CG 4.15Å; Y419-L423 WeakPolarHBondContact O-CG 3.44Å; Y419-L423 PolarHBondContact O-N 2.92Å
420A94.7Very high93.9Very high0 Ų042.9 Ų42.90%024%0.236CC..Hα-helixtrans-59.7-46.5176.300000112.1L378 F382 R416 L417 S422 L423 L424L378-A420 HydrophobicContact CD2-CB 4.17Å; F382-A420 HydrophobicContact CD1-CB 3.73Å; F382-A420 HydrophobicContact CD2-CB 3.78Å; F382-A420 HydrophobicContact CE1-CB 3.66Å; F382-A420 HydrophobicContact CE2-CB 3.7Å; F382-A420 HydrophobicContact CG-CB 3.81Å; F382-A420 HydrophobicContact CZ-CB 3.65Å; R416-A420 PolarHBondContact O-N 3.35Å; L417-A420 PolarHBondContact O-N 2.95Å; L417-A420 VanDerWaalsContact O-N 3.12Å; A420-S422 VanDerWaalsContact C-N 3.31Å; A420-S422 PolarHBondContact O-N 2.97Å; A420-L423 PolarHBondContact O-N 3.39Å; A420-L424 WeakPolarHBondContact O-CG 3.31Å; A420-L424 PolarHBondContact O-N 3.46Å
421V96Very high93.9Very high11 Ų1145 Ų457%0.06725%0.245CC..Hα-helixtrans-61.6-40.6176.4173.60000111.1L417 Y419 L423 L424 N425 I440 L443 Q444 M447L417-V421 PolarHBondContact O-N 3.45Å; Y419-V421 PolarHBondContact O-N 3.34Å; V421-L423 VanDerWaalsContact C-N 3.33Å; V421-L423 PolarHBondContact O-N 3.19Å; V421-L424 PolarHBondContact O-N 2.96Å; V421-N425 WeakPolarHBondContact O-CB 3.44Å; V421-N425 PolarHBondContact O-N 3.41Å; V421-N425 PolarHBondContact O-ND2 3.36Å; V421-I440 HydrophobicContact CG1-CG2 4.47Å; V421-L443 HydrophobicContact CG2-CB 3.77Å; V421-Q444 HydrophobicContact CG1-CG 4.08Å; V421-Q444 HydrophobicContact CG2-CG 4.41Å; V421-M447 HydrophobicContact CB-SD 4.29Å; V421-M447 HydrophobicContact CG2-SD 3.7Å
422S95.9Very high93.8Very high52 Ų5249.5 Ų49.536%0.36427%0.267SS..Hα-helixtrans-64.1-35.617777.90000113.2P418 Y419 A420 Q426P418-S422 VanDerWaalsContact O-CB 3.32Å; P418-S422 WeakPolarHBondContact O-CB 3.47Å; P418-S422 PolarHBondContact O-N 2.92Å; P418-S422 PolarHBondContact O-OG 3.25Å; Y419-S422 PolarHBondContact O-N 2.93Å; Y419-S422 PolarHBondContact O-OG 2.91Å; A420-S422 VanDerWaalsContact C-N 3.31Å; A420-S422 PolarHBondContact O-N 2.97Å; S422-Q426 WeakPolarHBondContact O-CG 3.45Å; S422-Q426 PolarHBondContact O-NE2 3.36Å
423L94.8Very high93.8Very high13 Ų1350 Ų507%0.06828%0.277CS..Hα-helixtrans-70.3-44.7174.8-72.9175.5000111.1I374 L378 Y419 A420 V421 N425 Q426I374-L423 HydrophobicContact CG2-CB 4.5Å; L378-L423 HydrophobicContact CD2-CB 4.47Å; L378-L423 HydrophobicContact CD2-CD1 4.14Å; L378-L423 HydrophobicContact CG-CD1 4.31Å; Y419-L423 HydrophobicContact CD1-CD1 4.03Å; Y419-L423 HydrophobicContact CE1-CD1 3.47Å; Y419-L423 VanDerWaalsContact CE1-CD1 3.47Å; Y419-L423 HydrophobicContact CE1-CG 4.3Å; Y419-L423 HydrophobicContact CE2-CD1 4.16Å; Y419-L423 HydrophobicContact CE2-CD2 4.32Å; Y419-L423 HydrophobicContact CE2-CG 4.15Å; Y419-L423 WeakPolarHBondContact O-CG 3.44Å; Y419-L423 PolarHBondContact O-N 2.92Å; A420-L423 PolarHBondContact O-N 3.39Å; V421-L423 VanDerWaalsContact C-N 3.33Å; V421-L423 PolarHBondContact O-N 3.19Å; L423-N425 VanDerWaalsContact C-N 3.33Å; L423-N425 PolarHBondContact O-N 2.84Å; L423-Q426 WeakPolarHBondContact O-CB 3.44Å; L423-Q426 PolarHBondContact O-N 3.29Å; L423-Q426 VanDerWaalsContact O-N 3.14Å
424L94.7Very high93.8Very high2 Ų250.9 Ų50.91%0.0128%0.283CS..Hα-helixtrans-64.9-36.8179.6-68.7170.9000112.2F368 L378 A420 V421 Q426 Y427 V435 L439 I440 L443F368-L424 HydrophobicContact CE1-CD2 3.67Å; F368-L424 HydrophobicContact CZ-CD2 3.62Å; L378-L424 HydrophobicContact CD1-CD2 3.85Å; A420-L424 WeakPolarHBondContact O-CG 3.31Å; A420-L424 PolarHBondContact O-N 3.46Å; V421-L424 PolarHBondContact O-N 2.96Å; L424-Q426 PolarHBondContact O-N 2.94Å; L424-Y427 VanDerWaalsContact O-CB 3.29Å; L424-Y427 WeakPolarHBondContact O-CB 3.48Å; L424-Y427 PolarHBondContact O-N 3.46Å; L424-Y427 VanDerWaalsContact O-N 3.1Å; L424-V435 HydrophobicContact CD2-CG1 4.41Å; L424-L439 HydrophobicContact CD1-CB 4.17Å; L424-L439 HydrophobicContact CD2-CD1 4.36Å; L424-I440 HydrophobicContact CB-CD1 4.05Å; L424-I440 HydrophobicContact CB-CG1 3.71Å; L424-I440 HydrophobicContact CD1-CG1 4.28Å; L424-L443 HydrophobicContact CD1-CD1 3.53Å
425N94.5Very high93.8Very high82 Ų8250.4 Ų50.444%0.43928%0.28SS..THydrogen-bonded Turntrans-65.7-15.4175.1-79.6-31.6000114V421 L423V421-N425 WeakPolarHBondContact O-CB 3.44Å; V421-N425 PolarHBondContact O-N 3.41Å; V421-N425 PolarHBondContact O-ND2 3.36Å; L423-N425 VanDerWaalsContact C-N 3.33Å; L423-N425 PolarHBondContact O-N 2.84Å
426Q94Very high93.8Very high116 Ų11652.3 Ų52.354%0.54228%0.283SS..THydrogen-bonded Turntrans-76.5-13.4174.4-67.1165.630.900112.4I374 S422 L423 L424 T428I374-Q426 HydrophobicContact CD1-CB 4.29Å; S422-Q426 WeakPolarHBondContact O-CG 3.45Å; S422-Q426 PolarHBondContact O-NE2 3.36Å; L423-Q426 WeakPolarHBondContact O-CB 3.44Å; L423-Q426 PolarHBondContact O-N 3.29Å; L423-Q426 VanDerWaalsContact O-N 3.14Å; L424-Q426 PolarHBondContact O-N 2.94Å; Q426-T428 PolarHBondContact O-N 3.01Å
427Y92.5Very high93.9Very high6 Ų655.9 Ų55.92%0.02430%0.302CS..  trans-70.1115.9178.8-178.1-100000111.1S367 E371 I374 L424 G429 K431 Q432 V435S367-Y427 VanDerWaalsContact CB-CZ 3.45Å; S367-Y427 WeakPolarHBondContact CB-OH 3.48Å; E371-Y427 HydrophobicContact CB-CD2 4.48Å; E371-Y427 HydrophobicContact CG-CD2 3.67Å; E371-Y427 HydrophobicContact CG-CE2 3.95Å; I374-Y427 HydrophobicContact CD1-CD2 4.37Å; L424-Y427 VanDerWaalsContact O-CB 3.29Å; L424-Y427 WeakPolarHBondContact O-CB 3.48Å; L424-Y427 PolarHBondContact O-N 3.46Å; L424-Y427 VanDerWaalsContact O-N 3.1Å; Y427-G429 VanDerWaalsContact CZ-CA 3.45Å; Y427-K431 HydrophobicContact CE1-CB 4.35Å; Y427-K431 PolarHBondContact OH-N 2.93Å; Y427-Q432 HydrophobicContact CD1-CB 4.3Å; Y427-Q432 HydrophobicContact CE1-CB 4.3Å; Y427-V435 HydrophobicContact CD1-CB 4.35Å; Y427-V435 HydrophobicContact CD1-CG2 4.03Å; Y427-V435 HydrophobicContact CE1-CG2 4.02Å
428T90.5Very high93.8Very high117 Ų11757.1 Ų57.172%0.71831%0.31SS*.  trans-114.518.9177.758.90000113Q426Q426-T428 PolarHBondContact O-N 3.01Å
429G90.2Very high93.8Very high20 Ų2054 Ų5421%0.20629%0.29CS..SBendtrans-79.1177.1-177.500000114.1Y427 K431 Q432Y427-G429 VanDerWaalsContact CZ-CA 3.45Å; G429-K431 PolarHBondContact O-N 3.47Å; G429-K431 VanDerWaalsContact O-N 3.14Å; G429-Q432 PolarHBondContact O-N 3.15Å
430S92.3Very high93.8Very high98 Ų9849.9 Ų49.969%0.68527%0.274SS*.THydrogen-bonded Turntrans-62.2-24-174.366.10000114.5Q432S430-Q432 VanDerWaalsContact C-N 3.34Å; S430-Q432 PolarHBondContact O-N 3.29Å
431K92.4Very high93.9Very high47 Ų4752.8 Ų52.820%0.20429%0.292CS..THydrogen-bonded Turntrans-9421.9-176.4-50.8-56.8-171.5156.10114.1D363 E366 Y427 G429 S433 T434 V435D363-K431 HydrophobicContact CB-CB 4.43Å; D363-K431 HydrophobicContact CB-CD 4.06Å; D363-K431 HydrophobicContact CB-CG 4.22Å; D363-K431 VanDerWaalsContact OD1-CE 3.32Å; D363-K431 WeakPolarHBondContact OD1-CE 3.41Å; D363-K431 IonicContact OD1-NZ 3.3Å; D363-K431 PolarHBondContact OD1-NZ 3.3Å; D363-K431 IonicContact OD2-NZ 2.87Å; D363-K431 PolarHBondContact OD2-NZ 2.76Å; D363-K431 VanDerWaalsContact OD2-NZ 3.1Å; E366-K431 WeakPolarHBondContact OE2-CE 3.34Å; Y427-K431 HydrophobicContact CE1-CB 4.35Å; Y427-K431 PolarHBondContact OH-N 2.93Å; G429-K431 PolarHBondContact O-N 3.47Å; G429-K431 VanDerWaalsContact O-N 3.14Å; K431-S433 VanDerWaalsContact C-N 3.28Å; K431-S433 PolarHBondContact O-N 2.77Å; K431-T434 PolarHBondContact O-N 3.1Å; K431-V435 PolarHBondContact O-N 3.47Å
432Q91.5Very high93.8Very high107 Ų10754.1 Ų54.150%0.530%0.301SS..Hα-helixtrans-60.4-37.3-170.3-171.8-179.616.400112.5Y427 G429 S430 V435 Y436Y427-Q432 HydrophobicContact CD1-CB 4.3Å; Y427-Q432 HydrophobicContact CE1-CB 4.3Å; G429-Q432 PolarHBondContact O-N 3.15Å; S430-Q432 VanDerWaalsContact C-N 3.34Å; S430-Q432 PolarHBondContact O-N 3.29Å; Q432-V435 PolarHBondContact O-N 3.03Å; Q432-Y436 VanDerWaalsContact O-CB 3.27Å; Q432-Y436 WeakPolarHBondContact O-CB 3.43Å; Q432-Y436 PolarHBondContact O-N 2.89Å
433S93.8Very high93.8Very high74 Ų7451.7 Ų51.752%0.51728%0.284SS..Hα-helixtrans-58.5-48.7177.1530000111.9K431 V435 Y436 E437K431-S433 VanDerWaalsContact C-N 3.28Å; K431-S433 PolarHBondContact O-N 2.77Å; S433-V435 PolarHBondContact O-N 2.88Å; S433-Y436 WeakPolarHBondContact O-CB 3.16Å; S433-Y436 PolarHBondContact O-N 3.48Å; S433-Y436 VanDerWaalsContact O-N 3.17Å; S433-E437 WeakPolarHBondContact O-CG 3.33Å; S433-E437 PolarHBondContact O-N 2.96Å
434T94.4Very high93.8Very high19 Ų1953.9 Ų53.912%0.11729%0.294CS..Hα-helixtrans-64.6-42.9-179.4-43.20000111.4E360 D363 L364 K431 Y436 C438E360-T434 HydrophobicContact CG-CG2 3.74Å; D363-T434 HydrophobicContact CB-CG2 4.15Å; L364-T434 HydrophobicContact CD2-CG2 3.93Å; L364-T434 HydrophobicContact CG-CG2 4Å; K431-T434 PolarHBondContact O-N 3.1Å; T434-Y436 VanDerWaalsContact C-N 3.28Å; T434-Y436 PolarHBondContact O-N 3.35Å; T434-C438 VanDerWaalsContact O-CB 3.28Å; T434-C438 WeakPolarHBondContact O-CB 3.14Å; T434-C438 PolarHBondContact O-N 2.9Å; T434-C438 PolarHBondContact O-SG 3.48Å; T434-C438 VanDerWaalsContact O-SG 3.39Å
435V94.4Very high93.8Very high2 Ų260 Ų601%0.01232%0.321CS..Hα-helixtrans-61.9-39.5174.9175.40000110.9L364 L424 Y427 K431 Q432 S433 L439 I440L364-V435 HydrophobicContact CD2-CG2 4.02Å; L424-V435 HydrophobicContact CD2-CG1 4.41Å; Y427-V435 HydrophobicContact CD1-CB 4.35Å; Y427-V435 HydrophobicContact CD1-CG2 4.03Å; Y427-V435 HydrophobicContact CE1-CG2 4.02Å; K431-V435 PolarHBondContact O-N 3.47Å; Q432-V435 PolarHBondContact O-N 3.03Å; S433-V435 PolarHBondContact O-N 2.88Å; V435-L439 HydrophobicContact CG1-CD1 4.45Å; V435-L439 WeakPolarHBondContact O-CB 3.2Å; V435-L439 PolarHBondContact O-N 3.44Å; V435-L439 VanDerWaalsContact O-N 3.1Å; V435-I440 HydrophobicContact CG1-CD1 4.11Å; V435-I440 HydrophobicContact CG1-CG1 4.38Å; V435-I440 PolarHBondContact O-N 3.1Å; V435-I440 VanDerWaalsContact O-N 3.09Å
436Y94.7Very high93.7Very high114 Ų11456.3 Ų56.345%0.44730%0.301SS..Iπ-helixtrans-67.6-48.6-179.7-172.2-89000112.6Q432 S433 T434 I440 T441Q432-Y436 VanDerWaalsContact O-CB 3.27Å; Q432-Y436 WeakPolarHBondContact O-CB 3.43Å; Q432-Y436 PolarHBondContact O-N 2.89Å; S433-Y436 WeakPolarHBondContact O-CB 3.16Å; S433-Y436 PolarHBondContact O-N 3.48Å; S433-Y436 VanDerWaalsContact O-N 3.17Å; T434-Y436 VanDerWaalsContact C-N 3.28Å; T434-Y436 PolarHBondContact O-N 3.35Å; Y436-I440 HydrophobicContact CD2-CB 4.25Å; Y436-I440 HydrophobicContact CD2-CD1 4.11Å; Y436-I440 HydrophobicContact CD2-CG2 4.16Å; Y436-I440 HydrophobicContact CE2-CG2 4.2Å; Y436-I440 PolarHBondContact O-N 3.43Å; Y436-T441 WeakPolarHBondContact CE1-OG1 3.35Å; Y436-T441 WeakPolarHBondContact O-CB 3.37Å; Y436-T441 PolarHBondContact O-N 3.4Å; Y436-T441 PolarHBondContact O-OG1 2.99Å
437E94.7Very high93.6Very high136 Ų13653.4 Ų53.464%0.63629%0.288SS*.Iπ-helixtrans-70.5-46.9-178-70.9176.8-176.100112S433 P442S433-E437 WeakPolarHBondContact O-CG 3.33Å; S433-E437 PolarHBondContact O-N 2.96Å; E437-P442 WeakPolarHBondContact O-CD 3.32Å
438C94Very high93.7Very high26 Ų2658.3 Ų58.318%0.17632%0.315CS..Iπ-helixtrans-85.9-24.1-171.9-54.90000113.9E360 L364 T434 F605E360-C438 VanDerWaalsContact CD-SG 3.58Å; E360-C438 PolarHBondContact OE1-SG 3.47Å; L364-C438 HydrophobicContact CD1-CB 3.96Å; L364-C438 HydrophobicContact CD2-CB 4.31Å; T434-C438 VanDerWaalsContact O-CB 3.28Å; T434-C438 WeakPolarHBondContact O-CB 3.14Å; T434-C438 PolarHBondContact O-N 2.9Å; T434-C438 PolarHBondContact O-SG 3.48Å; T434-C438 VanDerWaalsContact O-SG 3.39Å; C438-F605 HydrophobicContact CB-CE1 4.3Å
439L94.7Very high93.9Very high0 Ų054.8 Ų54.80%030%0.295CS..Iπ-helixtrans-122.5-54.7-173.9-57.9176.6000113.5L364 F368 L424 V435 P442 L443 F605 L606L364-L439 HydrophobicContact CD2-CD1 3.94Å; L364-L439 HydrophobicContact CD2-CG 4.17Å; F368-L439 HydrophobicContact CE2-CD1 3.73Å; F368-L439 HydrophobicContact CZ-CD1 3.6Å; L424-L439 HydrophobicContact CD1-CB 4.17Å; L424-L439 HydrophobicContact CD2-CD1 4.36Å; V435-L439 HydrophobicContact CG1-CD1 4.45Å; V435-L439 WeakPolarHBondContact O-CB 3.2Å; V435-L439 PolarHBondContact O-N 3.44Å; V435-L439 VanDerWaalsContact O-N 3.1Å; L439-P442 WeakPolarHBondContact O-CD 3.35Å; L439-L443 WeakPolarHBondContact O-CB 3.5Å; L439-L443 WeakPolarHBondContact O-CD1 3.49Å; L439-L443 VanDerWaalsContact O-CG 3.25Å; L439-L443 WeakPolarHBondContact O-CG 3.4Å; L439-L443 PolarHBondContact O-N 2.87Å; L439-L443 VanDerWaalsContact O-N 3.17Å; L439-F605 HydrophobicContact CD2-CD1 3.51Å; L439-F605 HydrophobicContact CD2-CE1 3.63Å; L439-L606 HydrophobicContact CD1-CD1 3.91Å; L439-L606 HydrophobicContact CD2-CB 4.37Å; L439-L606 HydrophobicContact CD2-CD1 4.09Å
440I95.4Very high94.1Very high6 Ų653.9 Ų53.93%0.03129%0.285CS..Iπ-helixtrans-66.8-48.9-173.6-63.5169.8000110.6V421 L424 V435 Y436 L443 Q444V421-I440 HydrophobicContact CG1-CG2 4.47Å; L424-I440 HydrophobicContact CB-CD1 4.05Å; L424-I440 HydrophobicContact CB-CG1 3.71Å; L424-I440 HydrophobicContact CD1-CG1 4.28Å; V435-I440 HydrophobicContact CG1-CD1 4.11Å; V435-I440 HydrophobicContact CG1-CG1 4.38Å; V435-I440 PolarHBondContact O-N 3.1Å; V435-I440 VanDerWaalsContact O-N 3.09Å; Y436-I440 HydrophobicContact CD2-CB 4.25Å; Y436-I440 HydrophobicContact CD2-CD1 4.11Å; Y436-I440 HydrophobicContact CD2-CG2 4.16Å; Y436-I440 HydrophobicContact CE2-CG2 4.2Å; Y436-I440 PolarHBondContact O-N 3.43Å; I440-L443 PolarHBondContact O-N 2.83Å; I440-Q444 HydrophobicContact CG2-CG 4.15Å; I440-Q444 WeakPolarHBondContact O-CB 3.43Å; I440-Q444 WeakPolarHBondContact O-CG 3.3Å; I440-Q444 PolarHBondContact O-N 2.74Å
441T96Very high94.2Very high60 Ų6053.7 Ų53.737%0.36828%0.276SS..Hα-helixtrans-60.9-48.2-177.4-57.30000112.1Y436 L443 Q444 K445Y436-T441 WeakPolarHBondContact CE1-OG1 3.35Å; Y436-T441 WeakPolarHBondContact O-CB 3.37Å; Y436-T441 PolarHBondContact O-N 3.4Å; Y436-T441 PolarHBondContact O-OG1 2.99Å; T441-L443 PolarHBondContact O-N 3.03Å; T441-Q444 PolarHBondContact O-N 3.43Å; T441-K445 WeakPolarHBondContact O-CB 3.37Å; T441-K445 PolarHBondContact O-N 2.95Å
442P95Very high94.3Very high40 Ų4057.1 Ų57.126%0.2630%0.295SS..Hα-helixtrans-61.8-40.3174.8-27.237.5000113.8E437 L439 K445 A446 T602E437-P442 WeakPolarHBondContact O-CD 3.32Å; L439-P442 WeakPolarHBondContact O-CD 3.35Å; P442-K445 PolarHBondContact O-N 3.16Å; P442-A446 WeakPolarHBondContact O-CB 3.11Å; P442-A446 PolarHBondContact O-N 3.28Å; P442-T602 HydrophobicContact CB-CG2 3.83Å
443L94.4Very high94.4Very high0 Ų052 Ų520%027%0.272CS..Hα-helixtrans-67.8-38178.2-73.1172.8000112.5L417 V421 L424 L439 I440 T441 A446 M447 L599 T602 L606L417-L443 HydrophobicContact CD2-CD2 4.36Å; V421-L443 HydrophobicContact CG2-CB 3.77Å; L424-L443 HydrophobicContact CD1-CD1 3.53Å; L439-L443 WeakPolarHBondContact O-CB 3.5Å; L439-L443 WeakPolarHBondContact O-CD1 3.49Å; L439-L443 VanDerWaalsContact O-CG 3.25Å; L439-L443 WeakPolarHBondContact O-CG 3.4Å; L439-L443 PolarHBondContact O-N 2.87Å; L439-L443 VanDerWaalsContact O-N 3.17Å; I440-L443 PolarHBondContact O-N 2.83Å; T441-L443 PolarHBondContact O-N 3.03Å; L443-A446 PolarHBondContact O-N 3.22Å; L443-M447 WeakPolarHBondContact O-CG 3.34Å; L443-M447 PolarHBondContact O-N 3.3Å; L443-L599 HydrophobicContact CD2-CD1 4.36Å; L443-T602 HydrophobicContact CD2-CG2 3.65Å; L443-T602 HydrophobicContact CG-CG2 3.78Å; L443-L606 HydrophobicContact CD1-CD2 4.41Å
444Q95.1Very high94.4Very high60 Ų6052.4 Ų52.428%0.2826%0.264SS..Hα-helixtrans-64.5-46.7173.6-75.2175.6-18.100111.2V421 I440 T441 A446 M447 D448V421-Q444 HydrophobicContact CG1-CG 4.08Å; V421-Q444 HydrophobicContact CG2-CG 4.41Å; I440-Q444 HydrophobicContact CG2-CG 4.15Å; I440-Q444 WeakPolarHBondContact O-CB 3.43Å; I440-Q444 WeakPolarHBondContact O-CG 3.3Å; I440-Q444 PolarHBondContact O-N 2.74Å; T441-Q444 PolarHBondContact O-N 3.43Å; Q444-A446 VanDerWaalsContact C-N 3.25Å; Q444-A446 PolarHBondContact O-N 3.02Å; Q444-M447 WeakPolarHBondContact O-CA 3.28Å; Q444-M447 WeakPolarHBondContact O-CB 3.15Å; Q444-M447 PolarHBondContact O-N 3.29Å; Q444-D448 PolarHBondContact O-N 3Å
445K94.5Very high94.3Very high131 Ų13155.5 Ų55.557%0.5728%0.28SS*.Hα-helixtrans-57.8-39.8174.6-174-178.3179-1760112T441 P442 S449T441-K445 WeakPolarHBondContact O-CB 3.37Å; T441-K445 PolarHBondContact O-N 2.95Å; P442-K445 PolarHBondContact O-N 3.16Å; K445-S449 WeakPolarHBondContact O-CB 3.29Å; K445-S449 PolarHBondContact O-N 3.47Å; K445-S449 VanDerWaalsContact O-N 3.1Å; K445-S449 PolarHBondContact O-OG 3.27Å
446A92.9Very high94.2Very high4 Ų457 Ų573%0.03329%0.287CS..Hα-helixtrans-63.8-46.1174.200000111.2L417 P442 L443 Q444 D448 S449 F450 L599L417-A446 HydrophobicContact CD1-CB 4.49Å; P442-A446 WeakPolarHBondContact O-CB 3.11Å; P442-A446 PolarHBondContact O-N 3.28Å; L443-A446 PolarHBondContact O-N 3.22Å; Q444-A446 VanDerWaalsContact C-N 3.25Å; Q444-A446 PolarHBondContact O-N 3.02Å; A446-D448 VanDerWaalsContact C-N 3.34Å; A446-D448 PolarHBondContact O-N 3.39Å; A446-S449 WeakPolarHBondContact O-CB 3.5Å; A446-S449 PolarHBondContact O-N 2.91Å; A446-S449 VanDerWaalsContact O-N 3.15Å; A446-F450 WeakPolarHBondContact O-CD2 3.26Å; A446-F450 PolarHBondContact O-N 3.28Å; A446-L599 HydrophobicContact CB-CD1 4.12Å
447M93.2Very high94Very high54 Ų5451.5 Ų51.527%0.26627%0.266SS..Hα-helixtrans-54.9-48.1176-76.1176.848.900112.2L417 P418 V421 L443 Q444 S449 F450 I451L417-M447 HydrophobicContact CB-CG 3.46Å; L417-M447 VanDerWaalsContact CB-CG 3.46Å; L417-M447 HydrophobicContact CB-SD 3.92Å; L417-M447 HydrophobicContact CD1-CG 3.93Å; L417-M447 HydrophobicContact CG-CG 4.35Å; P418-M447 HydrophobicContact CB-CE 4.04Å; P418-M447 HydrophobicContact CB-SD 4.48Å; P418-M447 HydrophobicContact CG-CE 3.74Å; P418-M447 HydrophobicContact CG-SD 4.25Å; V421-M447 HydrophobicContact CB-SD 4.29Å; V421-M447 HydrophobicContact CG2-SD 3.7Å; L443-M447 WeakPolarHBondContact O-CG 3.34Å; L443-M447 PolarHBondContact O-N 3.3Å; Q444-M447 WeakPolarHBondContact O-CA 3.28Å; Q444-M447 WeakPolarHBondContact O-CB 3.15Å; Q444-M447 PolarHBondContact O-N 3.29Å; M447-S449 VanDerWaalsContact C-N 3.27Å; M447-S449 PolarHBondContact O-N 3.04Å; M447-F450 PolarHBondContact O-N 3.1Å; M447-F450 VanDerWaalsContact O-N 3.12Å; M447-I451 PolarHBondContact O-N 3.08Å
448D94.3Very high93.9Very high109 Ų10948 Ų4858%0.58325%0.25SC*.Hα-helixtrans-61.1-38.9179.3-65.1-23.6000111.5Q444 A446 F450 I451Q444-D448 PolarHBondContact O-N 3Å; A446-D448 VanDerWaalsContact C-N 3.34Å; A446-D448 PolarHBondContact O-N 3.39Å; D448-F450 PolarHBondContact O-N 3.4Å; D448-I451 WeakPolarHBondContact O-CG1 3.35Å; D448-I451 PolarHBondContact O-N 2.88Å
449S93.6Very high93.7Very high43 Ų4348.5 Ų48.530%0.30125%0.253SS..Hα-helixtrans-66.6-21.6178.7-57.10000113.5K445 A446 M447K445-S449 WeakPolarHBondContact O-CB 3.29Å; K445-S449 PolarHBondContact O-N 3.47Å; K445-S449 VanDerWaalsContact O-N 3.1Å; K445-S449 PolarHBondContact O-OG 3.27Å; A446-S449 WeakPolarHBondContact O-CB 3.5Å; A446-S449 PolarHBondContact O-N 2.91Å; A446-S449 VanDerWaalsContact O-N 3.15Å; M447-S449 VanDerWaalsContact C-N 3.27Å; M447-S449 PolarHBondContact O-N 3.04Å
450F95Very high93.5Very high2 Ų250.4 Ų50.41%0.00926%0.263CS..THydrogen-bonded Turntrans-103.74.7-177.4-74.4-68.7000114.7V414 A446 M447 D448 L452 F453 K454 Y592 P595 I596 L599V414-F450 HydrophobicContact CB-CB 4.46Å; V414-F450 HydrophobicContact CG1-CB 3.55Å; V414-F450 HydrophobicContact CG1-CG 4.13Å; V414-F450 HydrophobicContact CG2-CB 4Å; V414-F450 HydrophobicContact CG2-CD1 3.8Å; V414-F450 HydrophobicContact CG2-CD2 3.85Å; V414-F450 HydrophobicContact CG2-CE1 4.21Å; V414-F450 HydrophobicContact CG2-CE2 4.3Å; V414-F450 HydrophobicContact CG2-CG 3.62Å; V414-F450 HydrophobicContact CG2-CZ 4.45Å; A446-F450 WeakPolarHBondContact O-CD2 3.26Å; A446-F450 PolarHBondContact O-N 3.28Å; M447-F450 PolarHBondContact O-N 3.1Å; M447-F450 VanDerWaalsContact O-N 3.12Å; D448-F450 PolarHBondContact O-N 3.4Å; F450-L452 PolarHBondContact O-N 3.42Å; F450-F453 HydrophobicContact CB-CB 4.4Å; F450-F453 HydrophobicContact CD1-CB 3.84Å; F450-F453 HydrophobicContact CD1-CD1 4Å; F450-F453 AromaticContact CD1-CG 3.92Å; F450-F453 HydrophobicContact CD1-CG 3.92Å; F450-F453 WeakPolarHBondContact O-CB 3.36Å; F450-F453 PolarHBondContact O-N 3.43Å; F450-K454 PolarHBondContact O-N 2.93Å; F450-Y592 HydrophobicContact CD1-CD1 4.41Å; F450-P595 HydrophobicContact CE1-CB 4.04Å; F450-P595 HydrophobicContact CE2-CB 3.95Å; F450-P595 HydrophobicContact CZ-CB 3.62Å; F450-I596 HydrophobicContact CE1-CG1 3.82Å; F450-I596 HydrophobicContact CZ-CB 4.45Å; F450-I596 HydrophobicContact CZ-CG1 3.74Å; F450-L599 HydrophobicContact CE2-CB 4.12Å; F450-L599 HydrophobicContact CE2-CD2 3.83Å; F450-L599 HydrophobicContact CZ-CD2 4.33Å
451I94.1Very high93.2Very high94 Ų9450.1 Ų50.148%0.48226%0.262SS..Hα-helixtrans-56.1-53.5178.7-65.4171.7000110.8M447 D448 F453 K454 D455M447-I451 PolarHBondContact O-N 3.08Å; D448-I451 WeakPolarHBondContact O-CG1 3.35Å; D448-I451 PolarHBondContact O-N 2.88Å; I451-F453 VanDerWaalsContact C-N 3.29Å; I451-F453 PolarHBondContact O-N 2.8Å; I451-K454 WeakPolarHBondContact O-CB 3.31Å; I451-K454 PolarHBondContact O-N 3.11Å; I451-D455 PolarHBondContact O-N 2.95Å
452L93.9Very high92.8Very high118 Ų11849.8 Ų49.862%0.61826%0.258SS*.Hα-helixtrans-67.9-28.5179.6-65.3177.4000113F450 L456 Y592F450-L452 PolarHBondContact O-N 3.42Å; L452-L456 WeakPolarHBondContact O-CB 3.15Å; L452-L456 PolarHBondContact O-N 3.21Å; L452-Y592 WeakPolarHBondContact CB-OH 3.21Å
453F93.8Very high92.4Very high0 Ų049.8 Ų49.80%026%0.256CS..Hα-helixtrans-67.3-41.1174.1179-93.2000111.3V407 I410 F450 I451 L456 V457 A589 Y592V407-F453 HydrophobicContact CG1-CE2 4.24Å; V407-F453 HydrophobicContact CG1-CZ 3.89Å; I410-F453 HydrophobicContact CB-CE1 4.37Å; I410-F453 HydrophobicContact CB-CZ 4.12Å; I410-F453 HydrophobicContact CG2-CE1 3.83Å; I410-F453 HydrophobicContact CG2-CZ 3.78Å; F450-F453 HydrophobicContact CB-CB 4.4Å; F450-F453 HydrophobicContact CD1-CB 3.84Å; F450-F453 HydrophobicContact CD1-CD1 4Å; F450-F453 AromaticContact CD1-CG 3.92Å; F450-F453 HydrophobicContact CD1-CG 3.92Å; F450-F453 WeakPolarHBondContact O-CB 3.36Å; F450-F453 PolarHBondContact O-N 3.43Å; I451-F453 VanDerWaalsContact C-N 3.29Å; I451-F453 PolarHBondContact O-N 2.8Å; F453-L456 WeakPolarHBondContact O-CB 3.23Å; F453-L456 PolarHBondContact O-N 3.48Å; F453-V457 HydrophobicContact CD1-CG2 4.37Å; F453-V457 HydrophobicContact CE1-CG2 3.94Å; F453-V457 HydrophobicContact CZ-CG2 4.04Å; F453-V457 WeakPolarHBondContact O-CG2 3.45Å; F453-V457 PolarHBondContact O-N 3.14Å; F453-A589 HydrophobicContact CE2-CB 3.88Å; F453-Y592 HydrophobicContact CB-CD1 3.95Å; F453-Y592 HydrophobicContact CB-CD2 4.4Å; F453-Y592 HydrophobicContact CB-CE1 3.79Å; F453-Y592 HydrophobicContact CB-CE2 4.26Å; F453-Y592 HydrophobicContact CB-CG 4.25Å; F453-Y592 HydrophobicContact CD2-CD1 4.42Å; F453-Y592 AromaticContact CD2-CD2 3.74Å; F453-Y592 HydrophobicContact CD2-CD2 3.74Å; F453-Y592 HydrophobicContact CD2-CE2 4.17Å; F453-Y592 AromaticContact CD2-CG 3.87Å; F453-Y592 HydrophobicContact CD2-CG 3.87Å; F453-Y592 HydrophobicContact CG-CG 4.45Å
454K93.7Very high92Very high82 Ų8255 Ų5536%0.35728%0.284SS..Hα-helixtrans-59-49.1174.9-170.8-168167.2-178.60110.5Y411 L415 F450 I451 L456 V457 E458Y411-K454 HydrophobicContact CD2-CG 4.32Å; Y411-K454 HydrophobicContact CE2-CB 4.48Å; Y411-K454 HydrophobicContact CE2-CG 3.67Å; L415-K454 HydrophobicContact CD2-CD 4.24Å; L415-K454 HydrophobicContact CD2-CG 4.4Å; F450-K454 PolarHBondContact O-N 2.93Å; I451-K454 WeakPolarHBondContact O-CB 3.31Å; I451-K454 PolarHBondContact O-N 3.11Å; K454-L456 VanDerWaalsContact C-N 3.31Å; K454-L456 PolarHBondContact O-N 3.43Å; K454-V457 PolarHBondContact O-N 3.46Å; K454-E458 WeakPolarHBondContact CE-OE1 3.35Å; K454-E458 IonicContact NZ-OE1 3.73Å; K454-E458 WeakPolarHBondContact O-CG 3.44Å; K454-E458 PolarHBondContact O-N 3.36Å
455D93.1Very high91.4Very high85 Ų8553.9 Ų53.946%0.45528%0.277SS..Hα-helixtrans-60.7-40.8177.6-66.4-17.5000111.8I451 V457 S459I451-D455 PolarHBondContact O-N 2.95Å; D455-V457 VanDerWaalsContact C-N 3.34Å; D455-V457 PolarHBondContact O-N 3.35Å; D455-S459 WeakPolarHBondContact O-CB 3.17Å; D455-S459 PolarHBondContact O-N 2.94Å; D455-S459 PolarHBondContact O-OG 3.17Å
456L91.5Very high90.8Very high32 Ų3248 Ų4817%0.16825%0.252CS..Hα-helixtrans-59.9-43.2175.9178.4143.9000111.8L452 F453 K454 S459 N460 V585 A588L452-L456 WeakPolarHBondContact O-CB 3.15Å; L452-L456 PolarHBondContact O-N 3.21Å; F453-L456 WeakPolarHBondContact O-CB 3.23Å; F453-L456 PolarHBondContact O-N 3.48Å; K454-L456 VanDerWaalsContact C-N 3.31Å; K454-L456 PolarHBondContact O-N 3.43Å; L456-S459 PolarHBondContact O-OG 3.11Å; L456-S459 VanDerWaalsContact O-OG 3.11Å; L456-N460 WeakPolarHBondContact O-CB 3.42Å; L456-N460 PolarHBondContact O-N 3.19Å; L456-N460 PolarHBondContact O-ND2 2.85Å; L456-V585 HydrophobicContact CD2-CG1 4.03Å; L456-A588 HydrophobicContact CD1-CB 3.5Å; L456-A588 VanDerWaalsContact CD1-CB 3.5Å
457V91.4Very high90.3Very high0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-71.3-47.1179.9172.90000111.7V407 Y411 F453 K454 D455 S459 N460 I461V407-V457 HydrophobicContact CG1-CG2 3.61Å; Y411-V457 HydrophobicContact CD1-CG1 3.98Å; Y411-V457 HydrophobicContact CD2-CB 3.71Å; Y411-V457 HydrophobicContact CD2-CG1 3.64Å; Y411-V457 HydrophobicContact CD2-CG2 4.25Å; Y411-V457 HydrophobicContact CE1-CG1 4.4Å; Y411-V457 HydrophobicContact CE2-CB 4.19Å; Y411-V457 HydrophobicContact CE2-CG1 4.08Å; Y411-V457 HydrophobicContact CG-CB 4.11Å; Y411-V457 HydrophobicContact CG-CG1 3.58Å; Y411-V457 HydrophobicContact CG-CG2 4.46Å; F453-V457 HydrophobicContact CD1-CG2 4.37Å; F453-V457 HydrophobicContact CE1-CG2 3.94Å; F453-V457 HydrophobicContact CZ-CG2 4.04Å; F453-V457 WeakPolarHBondContact O-CG2 3.45Å; F453-V457 PolarHBondContact O-N 3.14Å; K454-V457 PolarHBondContact O-N 3.46Å; D455-V457 VanDerWaalsContact C-N 3.34Å; D455-V457 PolarHBondContact O-N 3.35Å; V457-S459 VanDerWaalsContact C-N 3.27Å; V457-S459 PolarHBondContact O-N 3.07Å; V457-N460 PolarHBondContact O-N 3.08Å; V457-I461 HydrophobicContact CG1-CB 4.45Å; V457-I461 HydrophobicContact CG1-CD1 3.96Å; V457-I461 HydrophobicContact CG1-CG1 4.31Å; V457-I461 WeakPolarHBondContact O-CB 3.49Å; V457-I461 PolarHBondContact O-N 2.89Å
458E92Very high89.8Confident63 Ų6358 Ų5829%0.29430%0.301SS..Hα-helixtrans-66.4-29.2-178.6-69.9177.9-179.800113.1Y411 K454 L463 R475Y411-E458 HydrophobicContact CE2-CG 3.83Å; Y411-E458 VanDerWaalsContact OH-CG 3.32Å; Y411-E458 WeakPolarHBondContact OH-CG 3.33Å; Y411-E458 PolarHBondContact OH-OE1 3.38Å; K454-E458 WeakPolarHBondContact CE-OE1 3.35Å; K454-E458 IonicContact NZ-OE1 3.73Å; K454-E458 WeakPolarHBondContact O-CG 3.44Å; K454-E458 PolarHBondContact O-N 3.36Å; E458-L463 HydrophobicContact CG-CD1 4.16Å; E458-R475 PolarHBondContact O-NH1 2.93Å
459S90.5Very high89.1Confident35 Ų3560.2 Ų60.225%0.24530%0.301CS..Hα-helixtrans-80.1-28.817758.90000113.7D455 L456 V457 K478D455-S459 WeakPolarHBondContact O-CB 3.17Å; D455-S459 PolarHBondContact O-N 2.94Å; D455-S459 PolarHBondContact O-OG 3.17Å; L456-S459 PolarHBondContact O-OG 3.11Å; L456-S459 VanDerWaalsContact O-OG 3.11Å; V457-S459 VanDerWaalsContact C-N 3.27Å; V457-S459 PolarHBondContact O-N 3.07Å; S459-K478 WeakPolarHBondContact O-CE 3.26Å; S459-K478 VanDerWaalsContact O-CG 3.3Å; S459-K478 WeakPolarHBondContact O-CG 3.33Å
460N90.4Very high88.4Confident40 Ų4063.9 Ų63.921%0.21432%0.318CS..Hα-helixtrans-108.7-28.1-172.5-69.8-80.1000114.7L456 V457 V474 R475 V585L456-N460 WeakPolarHBondContact O-CB 3.42Å; L456-N460 PolarHBondContact O-N 3.19Å; L456-N460 PolarHBondContact O-ND2 2.85Å; V457-N460 PolarHBondContact O-N 3.08Å; N460-V474 CarbonylContact O-C 3.57Å; N460-V474 VanDerWaalsContact O-CA 3.28Å; N460-V474 WeakPolarHBondContact O-CA 3.47Å; N460-V474 WeakPolarHBondContact O-CG1 3.43Å; N460-R475 PolarHBondContact O-N 3.45Å; N460-V585 HydrophobicContact CB-CG2 3.69Å
461I88.7Confident87.8Confident1 Ų168.4 Ų68.41%0.00534%0.339CS..BIsolated β-bridgetrans-101.3134-176.9-55.1-170.8000110.2L404 V407 V457 L463 V466L404-I461 HydrophobicContact CB-CD1 4.24Å; L404-I461 HydrophobicContact CD2-CD1 4.02Å; L404-I461 HydrophobicContact CD2-CG1 4.19Å; V407-I461 HydrophobicContact CG1-CD1 4.45Å; V457-I461 HydrophobicContact CG1-CB 4.45Å; V457-I461 HydrophobicContact CG1-CD1 3.96Å; V457-I461 HydrophobicContact CG1-CG1 4.31Å; V457-I461 WeakPolarHBondContact O-CB 3.49Å; V457-I461 PolarHBondContact O-N 2.89Å; I461-L463 HydrophobicContact CB-CD2 4.43Å; I461-L463 HydrophobicContact CG2-CD2 4.3Å; I461-L463 PolarHBondContact O-N 3.01Å; I461-L463 VanDerWaalsContact O-N 3.11Å; I461-V466 HydrophobicContact CG2-CG2 4.08Å
462D88.4Confident87.4Confident52 Ų5266 Ų6628%0.27833%0.325SS..  trans-78.894.6174.6-171.9-24.3000109.9D464 Y465 V466 I473 R475D462-D464 VanDerWaalsContact C-N 3.29Å; D462-D464 PolarHBondContact O-N 3.16Å; D462-D464 PolarHBondContact OD1-N 2.79Å; D462-D464 VanDerWaalsContact OD1-N 3.13Å; D462-Y465 VanDerWaalsContact CG-CB 3.48Å; D462-Y465 PolarHBondContact O-N 3.26Å; D462-Y465 PolarHBondContact OD1-N 3.04Å; D462-V466 VanDerWaalsContact O-CG2 3.3Å; D462-V466 WeakPolarHBondContact O-CG2 3.36Å; D462-V466 PolarHBondContact O-N 3.31Å; D462-V466 VanDerWaalsContact O-N 3.1Å; D462-I473 PolarHBondContact N-O 3.38Å; D462-R475 HydrophobicContact CB-CG 4.03Å
463L86.9Confident87Confident41 Ų4161.5 Ų61.522%0.21530%0.301CS..Hα-helixtrans-67-30.4-176.7-56.4179.6000112.5Y408 Y411 E458 I461 N467Y408-L463 HydrophobicContact CD2-CD2 4.08Å; Y408-L463 HydrophobicContact CE2-CD2 3.84Å; Y411-L463 HydrophobicContact CE1-CD2 4.35Å; E458-L463 HydrophobicContact CG-CD1 4.16Å; I461-L463 HydrophobicContact CB-CD2 4.43Å; I461-L463 HydrophobicContact CG2-CD2 4.3Å; I461-L463 PolarHBondContact O-N 3.01Å; I461-L463 VanDerWaalsContact O-N 3.11Å; L463-N467 WeakPolarHBondContact O-CB 3.42Å; L463-N467 PolarHBondContact O-N 3.02Å; L463-N467 PolarHBondContact O-ND2 2.55Å
464D85.2Confident86.8Confident110 Ų11061.6 Ų61.659%0.58830%0.302SS*.Hα-helixtrans-71-43179.3-70.5-30.4000110.3D462 V466 N467 Q468D462-D464 VanDerWaalsContact C-N 3.29Å; D462-D464 PolarHBondContact O-N 3.16Å; D462-D464 PolarHBondContact OD1-N 2.79Å; D462-D464 VanDerWaalsContact OD1-N 3.13Å; D464-V466 VanDerWaalsContact C-N 3.35Å; D464-V466 PolarHBondContact O-N 3.02Å; D464-N467 PolarHBondContact O-N 2.79Å; D464-Q468 WeakPolarHBondContact O-CB 3.07Å; D464-Q468 VanDerWaalsContact O-CG 3.25Å; D464-Q468 WeakPolarHBondContact O-CG 3.5Å; D464-Q468 PolarHBondContact O-N 2.88Å
465Y82.5Confident86.5Confident36 Ų3661.6 Ų61.614%0.14130%0.3CS..Hα-helixtrans-63.6-41.2175.9-161.8-90.9000111.7D462 Q468 R469 E471 I473D462-Y465 VanDerWaalsContact CG-CB 3.48Å; D462-Y465 PolarHBondContact O-N 3.26Å; D462-Y465 PolarHBondContact OD1-N 3.04Å; Y465-Q468 PolarHBondContact O-N 2.78Å; Y465-R469 HydrophobicContact CE1-CB 4.26Å; Y465-R469 VanDerWaalsContact CZ-CD 3.48Å; Y465-R469 PolarHBondContact O-N 3.3Å; Y465-R469 WeakPolarHBondContact OH-CD 3.28Å; Y465-R469 PolarHBondContact OH-NH1 3.1Å; Y465-E471 HydrophobicContact CD1-CB 3.97Å; Y465-E471 HydrophobicContact CE1-CB 3.49Å; Y465-E471 VanDerWaalsContact CE1-CB 3.49Å; Y465-E471 HydrophobicContact CE1-CG 4.38Å; Y465-E471 WeakPolarHBondContact CE1-OE2 3.43Å; Y465-E471 PolarHBondContact OH-OE2 2.81Å; Y465-I473 HydrophobicContact CD1-CB 4.13Å; Y465-I473 HydrophobicContact CD1-CD1 3.62Å; Y465-I473 HydrophobicContact CD1-CG1 3.75Å; Y465-I473 HydrophobicContact CE1-CB 4.48Å; Y465-I473 HydrophobicContact CE1-CD1 3.1Å; Y465-I473 HydrophobicContact CE1-CG1 3.67Å; Y465-I473 HydrophobicContact CE2-CD1 4.39Å; Y465-I473 HydrophobicContact CG-CD1 4.44Å
466V82.7Confident86.1Confident6 Ų658.1 Ų58.14%0.03628%0.283CS..Hα-helixtrans-59.2-49.2173.5171.80000111.1Y408 I461 D462 D464 Q468 N470 E471 F472Y408-V466 HydrophobicContact CD1-CG1 4.42Å; Y408-V466 HydrophobicContact CE1-CG1 3.91Å; Y408-V466 HydrophobicContact CE2-CG1 4.09Å; I461-V466 HydrophobicContact CG2-CG2 4.08Å; D462-V466 VanDerWaalsContact O-CG2 3.3Å; D462-V466 WeakPolarHBondContact O-CG2 3.36Å; D462-V466 PolarHBondContact O-N 3.31Å; D462-V466 VanDerWaalsContact O-N 3.1Å; D464-V466 VanDerWaalsContact C-N 3.35Å; D464-V466 PolarHBondContact O-N 3.02Å; V466-Q468 VanDerWaalsContact C-N 3.3Å; V466-Q468 PolarHBondContact O-N 2.99Å; V466-N470 WeakPolarHBondContact O-CA 3.47Å; V466-N470 PolarHBondContact O-N 3.44Å; V466-E471 WeakPolarHBondContact CA-O 3.33Å; V466-E471 VanDerWaalsContact CG2-O 3.3Å; V466-E471 WeakPolarHBondContact CG2-O 3.4Å; V466-F472 HydrophobicContact CG1-CD1 4.02Å; V466-F472 HydrophobicContact CG1-CE1 3.61Å; V466-F472 HydrophobicContact CG1-CZ 4.34Å; V466-F472 HydrophobicContact CG2-CB 4.47Å; V466-F472 HydrophobicContact CG2-CD1 3.62Å; V466-F472 HydrophobicContact CG2-CE1 4.11Å; V466-F472 HydrophobicContact CG2-CG 4.29Å
467N82.4Confident85.8Confident113 Ų11360.7 Ų60.760%0.60430%0.297SS*.Hα-helixtrans-66.3-30.6-177.2-71.3-31.2000113.1L463 D464L463-N467 WeakPolarHBondContact O-CB 3.42Å; L463-N467 PolarHBondContact O-N 3.02Å; L463-N467 PolarHBondContact O-ND2 2.55Å; D464-N467 PolarHBondContact O-N 2.79Å
468Q82.1Confident85.3Confident156 Ų15666.7 Ų66.773%0.72932%0.323SS*.Hα-helixtrans-89.2-38.7-176.9-68.3174.323.800113.8D464 Y465 V466D464-Q468 WeakPolarHBondContact O-CB 3.07Å; D464-Q468 VanDerWaalsContact O-CG 3.25Å; D464-Q468 WeakPolarHBondContact O-CG 3.5Å; D464-Q468 PolarHBondContact O-N 2.88Å; Y465-Q468 PolarHBondContact O-N 2.78Å; V466-Q468 VanDerWaalsContact C-N 3.3Å; V466-Q468 PolarHBondContact O-N 2.99Å
469R78.9Confident84.9Confident155 Ų15565.8 Ų65.859%0.58532%0.32SS*.Hα-helixtrans-117.8-7-172-68.2-170.5178-176.30.4114.6Y465 E471Y465-R469 HydrophobicContact CE1-CB 4.26Å; Y465-R469 VanDerWaalsContact CZ-CD 3.48Å; Y465-R469 PolarHBondContact O-N 3.3Å; Y465-R469 WeakPolarHBondContact OH-CD 3.28Å; Y465-R469 PolarHBondContact OH-NH1 3.1Å; R469-E471 HydrophobicContact CB-CB 4.38Å; R469-E471 HydrophobicContact CB-CG 4.45Å; R469-E471 PolarHBondContact O-N 3.03Å
470N79.8Confident84.8Confident121 Ų12169.1 Ų69.165%0.64734%0.341SS*.SBendtrans5731.2-174.7-161.630.6000112.8V466V466-N470 WeakPolarHBondContact O-CA 3.47Å; V466-N470 PolarHBondContact O-N 3.44Å
471E82.6Confident84.7Confident97 Ų9771.9 Ų71.945%0.45336%0.355SS..  trans-115.4133.9177.4-77.7180179.700108.5Y465 V466 R469Y465-E471 HydrophobicContact CD1-CB 3.97Å; Y465-E471 HydrophobicContact CE1-CB 3.49Å; Y465-E471 VanDerWaalsContact CE1-CB 3.49Å; Y465-E471 HydrophobicContact CE1-CG 4.38Å; Y465-E471 WeakPolarHBondContact CE1-OE2 3.43Å; Y465-E471 PolarHBondContact OH-OE2 2.81Å; V466-E471 WeakPolarHBondContact CA-O 3.33Å; V466-E471 VanDerWaalsContact CG2-O 3.3Å; V466-E471 WeakPolarHBondContact CG2-O 3.4Å; R469-E471 HydrophobicContact CB-CB 4.38Å; R469-E471 HydrophobicContact CB-CG 4.45Å; R469-E471 PolarHBondContact O-N 3.03Å
472F85.6Confident84.7Confident42 Ų4271.8 Ų71.818%0.18436%0.355CS..  trans-98.3105.9-176.4-55.3-86.8000109.8L404 Q405 Y408 V466L404-F472 HydrophobicContact CB-CB 3.67Å; L404-F472 HydrophobicContact CD1-CB 4.41Å; Q405-F472 HydrophobicContact CB-CD1 4.43Å; Q405-F472 HydrophobicContact CB-CD2 3.63Å; Q405-F472 HydrophobicContact CB-CE1 4.4Å; Q405-F472 HydrophobicContact CB-CE2 3.59Å; Q405-F472 HydrophobicContact CB-CG 4.09Å; Q405-F472 HydrophobicContact CB-CZ 4Å; Q405-F472 HydrophobicContact CG-CD2 4.1Å; Q405-F472 HydrophobicContact CG-CE1 4.37Å; Q405-F472 HydrophobicContact CG-CE2 3.49Å; Q405-F472 VanDerWaalsContact CG-CE2 3.49Å; Q405-F472 HydrophobicContact CG-CZ 3.66Å; Y408-F472 HydrophobicContact CD1-CD1 4.33Å; Y408-F472 AromaticContact CD1-CE1 3.46Å; Y408-F472 HydrophobicContact CD1-CE1 3.46Å; Y408-F472 VanDerWaalsContact CD1-CE1 3.46Å; Y408-F472 HydrophobicContact CD1-CZ 4.28Å; Y408-F472 HydrophobicContact CE1-CE1 4.07Å; Y408-F472 HydrophobicContact CG-CD1 4.19Å; Y408-F472 AromaticContact CG-CE1 3.76Å; Y408-F472 HydrophobicContact CG-CE1 3.76Å; V466-F472 HydrophobicContact CG1-CD1 4.02Å; V466-F472 HydrophobicContact CG1-CE1 3.61Å; V466-F472 HydrophobicContact CG1-CZ 4.34Å; V466-F472 HydrophobicContact CG2-CB 4.47Å; V466-F472 HydrophobicContact CG2-CD1 3.62Å; V466-F472 HydrophobicContact CG2-CE1 4.11Å; V466-F472 HydrophobicContact CG2-CG 4.29Å
473I85Confident84.8Confident24 Ų2472.3 Ų72.312%0.12336%0.355CS..  trans-121.3150-176.3-61.6-166.5000110D462 Y465D462-I473 PolarHBondContact N-O 3.38Å; Y465-I473 HydrophobicContact CD1-CB 4.13Å; Y465-I473 HydrophobicContact CD1-CD1 3.62Å; Y465-I473 HydrophobicContact CD1-CG1 3.75Å; Y465-I473 HydrophobicContact CE1-CB 4.48Å; Y465-I473 HydrophobicContact CE1-CD1 3.1Å; Y465-I473 HydrophobicContact CE1-CG1 3.67Å; Y465-I473 HydrophobicContact CE2-CD1 4.39Å; Y465-I473 HydrophobicContact CG-CD1 4.44Å
474V88.9Confident85Confident3 Ų374.9 Ų74.92%0.01837%0.366CS..BIsolated β-bridgetrans-76.8138.9173.5178.50000109.7L404 N460 A476 L482 Q578 V581 V582L404-V474 HydrophobicContact CD1-CG2 3.89Å; N460-V474 CarbonylContact O-C 3.57Å; N460-V474 VanDerWaalsContact O-CA 3.28Å; N460-V474 WeakPolarHBondContact O-CA 3.47Å; N460-V474 WeakPolarHBondContact O-CG1 3.43Å; V474-A476 PolarHBondContact O-N 2.89Å; V474-L482 HydrophobicContact CG1-CD1 4.28Å; V474-Q578 HydrophobicContact CB-CG 4.24Å; V474-Q578 HydrophobicContact CG2-CG 3.88Å; V474-V581 HydrophobicContact CG1-CB 4.23Å; V474-V581 HydrophobicContact CG1-CG1 3.61Å; V474-V581 HydrophobicContact CG2-CB 4.34Å; V474-V581 HydrophobicContact CG2-CG1 4.21Å; V474-V582 HydrophobicContact CG2-CG2 3.64Å
475R88.3Confident85.3Confident82 Ų8270 Ų7031%0.30934%0.34SS..  trans-57.3108.1170.8-88.6-173.574.1155.410.2111.6E458 N460 D462 D477 K478E458-R475 PolarHBondContact O-NH1 2.93Å; N460-R475 PolarHBondContact O-N 3.45Å; D462-R475 HydrophobicContact CB-CG 4.03Å; R475-D477 VanDerWaalsContact CB-OD1 3.23Å; R475-D477 WeakPolarHBondContact CB-OD1 3.49Å; R475-D477 IonicContact CZ-OD1 3.25Å; R475-D477 IonicContact CZ-OD2 3.39Å; R475-D477 IonicContact NE-OD1 3.69Å; R475-D477 PolarHBondContact NE-OD1 3.16Å; R475-D477 IonicContact NE-OD2 2.7Å; R475-D477 PolarHBondContact NE-OD2 2.88Å; R475-D477 IonicContact NH2-OD1 3.24Å; R475-D477 IonicContact NH2-OD2 3.24Å; R475-D477 PolarHBondContact NH2-OD2 3.47Å; R475-D477 PolarHBondContact O-N 3.29Å; R475-K478 HydrophobicContact CB-CG 4.35Å
476A84.4Confident85.6Confident12 Ų1271.1 Ų71.110%0.09934%0.344CS..G310 helixtrans-66.3-25.8-179.400000112.5V474 K478 D479 L482 Q483 R486V474-A476 PolarHBondContact O-N 2.89Å; A476-K478 PolarHBondContact O-N 3.34Å; A476-K478 VanDerWaalsContact O-N 3.15Å; A476-D479 PolarHBondContact O-N 3.45Å; A476-L482 HydrophobicContact CB-CB 4.42Å; A476-Q483 VanDerWaalsContact C-OE1 3.29Å; A476-Q483 WeakPolarHBondContact O-CB 3.46Å; A476-Q483 PolarHBondContact O-N 3.16Å; A476-R486 HydrophobicContact CB-CB 4.09Å; A476-R486 HydrophobicContact CB-CG 4.23Å
477D84.6Confident86.1Confident86 Ų8674.8 Ų74.846%0.4636%0.363SS..G310 helixtrans-68.3-13.1-176.465.1-49000114.2R475R475-D477 VanDerWaalsContact CB-OD1 3.23Å; R475-D477 WeakPolarHBondContact CB-OD1 3.49Å; R475-D477 IonicContact CZ-OD1 3.25Å; R475-D477 IonicContact CZ-OD2 3.39Å; R475-D477 IonicContact NE-OD1 3.69Å; R475-D477 PolarHBondContact NE-OD1 3.16Å; R475-D477 IonicContact NE-OD2 2.7Å; R475-D477 PolarHBondContact NE-OD2 2.88Å; R475-D477 IonicContact NH2-OD1 3.24Å; R475-D477 IonicContact NH2-OD2 3.24Å; R475-D477 PolarHBondContact NH2-OD2 3.47Å; R475-D477 PolarHBondContact O-N 3.29Å
478K81.2Confident86.6Confident125 Ų12573.5 Ų73.554%0.54335%0.352SS..G310 helixtrans-87-27.6178.8-69.8-67.2-177.9176.80114.2S459 R475 A476S459-K478 WeakPolarHBondContact O-CE 3.26Å; S459-K478 VanDerWaalsContact O-CG 3.3Å; S459-K478 WeakPolarHBondContact O-CG 3.33Å; R475-K478 HydrophobicContact CB-CG 4.35Å; A476-K478 PolarHBondContact O-N 3.34Å; A476-K478 VanDerWaalsContact O-N 3.15Å
479D84.5Confident87Confident44 Ų4466.4 Ų66.424%0.23532%0.319CS..  trans-116114-179.2-178.8-15.4000108.6A476 L481 L482 Q483A476-D479 PolarHBondContact O-N 3.45Å; D479-L481 PolarHBondContact O-N 3.47Å; D479-L481 VanDerWaalsContact O-N 3.13Å; D479-L481 WeakPolarHBondContact OD1-CB 3.16Å; D479-L481 PolarHBondContact OD1-N 2.96Å; D479-L482 HydrophobicContact CB-CB 3.98Å; D479-L482 HydrophobicContact CB-CD1 3.96Å; D479-L482 HydrophobicContact CB-CG 4.01Å; D479-L482 PolarHBondContact O-N 3Å; D479-L482 VanDerWaalsContact O-N 3.1Å; D479-Q483 PolarHBondContact O-N 2.91Å
480P87.3Confident87.6Confident106 Ų10661.8 Ų61.869%0.68831%0.306SS*.Hα-helixtrans-56.9-30.8-178.824.2-33.8000112.7E484P480-E484 WeakPolarHBondContact O-CB 3.23Å; P480-E484 PolarHBondContact O-N 3.24Å
481L88.4Confident88.3Confident97 Ų9760.7 Ų60.751%0.50830%0.3SS..Hα-helixtrans-71.4-45.6177.4-63.5173.2000111.3D479 Q483 E484 I485D479-L481 PolarHBondContact O-N 3.47Å; D479-L481 VanDerWaalsContact O-N 3.13Å; D479-L481 WeakPolarHBondContact OD1-CB 3.16Å; D479-L481 PolarHBondContact OD1-N 2.96Å; L481-Q483 VanDerWaalsContact C-N 3.31Å; L481-Q483 PolarHBondContact O-N 3.39Å; L481-E484 PolarHBondContact O-N 3.15Å; L481-I485 WeakPolarHBondContact O-CG1 3.47Å; L481-I485 PolarHBondContact O-N 2.92Å
482L88.8Confident88.8Confident0 Ų056.5 Ų56.50%028%0.281CS..Hα-helixtrans-62.9-40.2174.9-73.4178.3000111.2V474 A476 D479 I485 R486 Y574 L577 V581V474-L482 HydrophobicContact CG1-CD1 4.28Å; A476-L482 HydrophobicContact CB-CB 4.42Å; D479-L482 HydrophobicContact CB-CB 3.98Å; D479-L482 HydrophobicContact CB-CD1 3.96Å; D479-L482 HydrophobicContact CB-CG 4.01Å; D479-L482 PolarHBondContact O-N 3Å; D479-L482 VanDerWaalsContact O-N 3.1Å; L482-I485 PolarHBondContact O-N 3.41Å; L482-R486 WeakPolarHBondContact O-CB 3.48Å; L482-R486 PolarHBondContact O-N 2.97Å; L482-Y574 HydrophobicContact CD2-CD2 4.17Å; L482-Y574 HydrophobicContact CD2-CE2 4.09Å; L482-L577 HydrophobicContact CD2-CB 3.6Å; L482-V581 HydrophobicContact CD1-CG2 3.96Å
483Q90.8Very high89.1Confident62 Ų6255.9 Ų55.929%0.2928%0.279SS..Hα-helixtrans-63.9-41.9176.3-169.959.747.700111.8A476 D479 L481 R486 N487A476-Q483 VanDerWaalsContact C-OE1 3.29Å; A476-Q483 WeakPolarHBondContact O-CB 3.46Å; A476-Q483 PolarHBondContact O-N 3.16Å; D479-Q483 PolarHBondContact O-N 2.91Å; L481-Q483 VanDerWaalsContact C-N 3.31Å; L481-Q483 PolarHBondContact O-N 3.39Å; Q483-R486 PolarHBondContact O-N 3.12Å; Q483-N487 PolarHBondContact NE2-OD1 3.16Å; Q483-N487 WeakPolarHBondContact O-CB 3.33Å; Q483-N487 PolarHBondContact O-N 2.7Å; Q483-N487 PolarHBondContact O-ND2 2.92Å; Q483-N487 PolarHBondContact O-OD1 2.92Å
484E91.3Very high89.5Confident96 Ų9659.9 Ų59.945%0.44930%0.297SS..Hα-helixtrans-61.1-47.3177.5-169.3-168146.400111.3P480 L481 N487 K488P480-E484 WeakPolarHBondContact O-CB 3.23Å; P480-E484 PolarHBondContact O-N 3.24Å; L481-E484 PolarHBondContact O-N 3.15Å; E484-N487 PolarHBondContact O-N 2.89Å; E484-K488 WeakPolarHBondContact O-CG 3.43Å; E484-K488 PolarHBondContact O-N 3.28Å; E484-K488 WeakPolarHBondContact OE1-CE 3.48Å; E484-K488 IonicContact OE1-NZ 3.85Å; E484-K488 PolarHBondContact OE1-NZ 3.23Å
485I91.1Very high89.8Confident6 Ų666.6 Ų66.63%0.03132%0.322CS..Hα-helixtrans-68.7-37.8179.4-65.8167.7000110.9L481 L482 N487 K488 L489 V570 E573 Y574 L577L481-I485 WeakPolarHBondContact O-CG1 3.47Å; L481-I485 PolarHBondContact O-N 2.92Å; L482-I485 PolarHBondContact O-N 3.41Å; I485-N487 PolarHBondContact O-N 3.01Å; I485-K488 WeakPolarHBondContact O-CB 3.39Å; I485-K488 PolarHBondContact O-N 3.05Å; I485-K488 VanDerWaalsContact O-N 3.16Å; I485-L489 WeakPolarHBondContact O-CG 3.42Å; I485-L489 PolarHBondContact O-N 3.41Å; I485-V570 HydrophobicContact CG2-CG1 3.73Å; I485-E573 HydrophobicContact CD1-CG 3.98Å; I485-Y574 HydrophobicContact CB-CD2 4.29Å; I485-Y574 HydrophobicContact CG2-CD2 3.83Å; I485-Y574 HydrophobicContact CG2-CG 4.25Å; I485-L577 HydrophobicContact CD1-CD1 3.16Å
486R89.4Confident90Very high60 Ų6062.7 Ų62.723%0.22631%0.307CS..Hα-helixtrans-59.2-47.4173-178.968.1-154.8-168.46.1111.2A476 L482 Q483 K488 L489 D490 Y574A476-R486 HydrophobicContact CB-CB 4.09Å; A476-R486 HydrophobicContact CB-CG 4.23Å; L482-R486 WeakPolarHBondContact O-CB 3.48Å; L482-R486 PolarHBondContact O-N 2.97Å; Q483-R486 PolarHBondContact O-N 3.12Å; R486-K488 VanDerWaalsContact C-N 3.28Å; R486-K488 PolarHBondContact O-N 3.17Å; R486-L489 WeakPolarHBondContact O-CB 3.29Å; R486-L489 PolarHBondContact O-N 2.76Å; R486-L489 VanDerWaalsContact O-N 3.11Å; R486-D490 IonicContact CZ-OD1 3.8Å; R486-D490 IonicContact NE-OD1 3.42Å; R486-D490 PolarHBondContact NE-OD1 3.49Å; R486-D490 IonicContact NE-OD2 3.01Å; R486-D490 PolarHBondContact NE-OD2 2.85Å; R486-D490 VanDerWaalsContact NE-OD2 3.16Å; R486-D490 IonicContact NH2-OD1 2.83Å; R486-D490 PolarHBondContact NH2-OD1 3.06Å; R486-D490 IonicContact NH2-OD2 2.69Å; R486-D490 PolarHBondContact O-N 3.4Å; R486-Y574 HydrophobicContact CB-CE2 4.09Å
487N92.2Very high90.5Very high83 Ų8367.1 Ų67.144%0.44432%0.322SS..Hα-helixtrans-60.3-39.4175.6-68.7-17.1000111.3Q483 E484 I485 D490 N491Q483-N487 PolarHBondContact NE2-OD1 3.16Å; Q483-N487 WeakPolarHBondContact O-CB 3.33Å; Q483-N487 PolarHBondContact O-N 2.7Å; Q483-N487 PolarHBondContact O-ND2 2.92Å; Q483-N487 PolarHBondContact O-OD1 2.92Å; E484-N487 PolarHBondContact O-N 2.89Å; I485-N487 PolarHBondContact O-N 3.01Å; N487-D490 PolarHBondContact O-N 3.44Å; N487-N491 WeakPolarHBondContact O-CB 3.36Å; N487-N491 PolarHBondContact O-N 2.85Å
488K93.1Very high90.9Very high87 Ų8766.8 Ų66.838%0.37832%0.319SS..Hα-helixtrans-61.7-44.2173.5-71.3172.1-172.8163.80111.6E484 I485 R486 N491 L492 V570E484-K488 WeakPolarHBondContact O-CG 3.43Å; E484-K488 PolarHBondContact O-N 3.28Å; E484-K488 WeakPolarHBondContact OE1-CE 3.48Å; E484-K488 IonicContact OE1-NZ 3.85Å; E484-K488 PolarHBondContact OE1-NZ 3.23Å; I485-K488 WeakPolarHBondContact O-CB 3.39Å; I485-K488 PolarHBondContact O-N 3.05Å; I485-K488 VanDerWaalsContact O-N 3.16Å; R486-K488 VanDerWaalsContact C-N 3.28Å; R486-K488 PolarHBondContact O-N 3.17Å; K488-N491 PolarHBondContact O-N 2.71Å; K488-L492 WeakPolarHBondContact O-CB 3.33Å; K488-L492 VanDerWaalsContact O-CG 3.27Å; K488-L492 WeakPolarHBondContact O-CG 3.18Å; K488-L492 PolarHBondContact O-N 2.89Å; K488-V570 HydrophobicContact CB-CG1 4.2Å
489L91.3Very high91.4Very high7 Ų761.5 Ų61.54%0.03730%0.297CS..Hα-helixtrans-62.2-47.9176.4-73.6172.3000111.6I485 R486 N491 L492 E493 Y567 V570 K571 Y574I485-L489 WeakPolarHBondContact O-CG 3.42Å; I485-L489 PolarHBondContact O-N 3.41Å; R486-L489 WeakPolarHBondContact O-CB 3.29Å; R486-L489 PolarHBondContact O-N 2.76Å; R486-L489 VanDerWaalsContact O-N 3.11Å; L489-N491 VanDerWaalsContact C-N 3.31Å; L489-N491 PolarHBondContact O-N 3.15Å; L489-L492 PolarHBondContact O-N 3.11Å; L489-L492 VanDerWaalsContact O-N 3.14Å; L489-E493 WeakPolarHBondContact O-CG 3.48Å; L489-E493 PolarHBondContact O-N 3.44Å; L489-Y567 HydrophobicContact CB-CE2 4.41Å; L489-Y567 HydrophobicContact CD2-CD2 3.78Å; L489-Y567 HydrophobicContact CD2-CE2 3.66Å; L489-Y567 HydrophobicContact CD2-CG 4.42Å; L489-V570 HydrophobicContact CD2-CB 3.99Å; L489-V570 HydrophobicContact CD2-CG1 3.69Å; L489-V570 HydrophobicContact CG-CG1 3.8Å; L489-K571 HydrophobicContact CD2-CB 4.07Å; L489-Y574 HydrophobicContact CD1-CD1 4.28Å; L489-Y574 HydrophobicContact CD1-CD2 4.09Å; L489-Y574 HydrophobicContact CD1-CG 3.8Å
490D91.1Very high91.8Very high57 Ų5759.9 Ų59.931%0.30529%0.288SS..Hα-helixtrans-62.5-39.8179.7-67.6-34000111R486 N487 E493 E494R486-D490 IonicContact CZ-OD1 3.8Å; R486-D490 IonicContact NE-OD1 3.42Å; R486-D490 PolarHBondContact NE-OD1 3.49Å; R486-D490 IonicContact NE-OD2 3.01Å; R486-D490 PolarHBondContact NE-OD2 2.85Å; R486-D490 VanDerWaalsContact NE-OD2 3.16Å; R486-D490 IonicContact NH2-OD1 2.83Å; R486-D490 PolarHBondContact NH2-OD1 3.06Å; R486-D490 IonicContact NH2-OD2 2.69Å; R486-D490 PolarHBondContact O-N 3.4Å; N487-D490 PolarHBondContact O-N 3.44Å; D490-E493 PolarHBondContact O-N 3.18Å; D490-E494 PolarHBondContact O-N 3.29Å
491N94.4Very high92.1Very high98 Ų9860.1 Ų60.152%0.52428%0.275SS..Hα-helixtrans-64-41.5172.8-120.1-27000112.5N487 K488 L489 E494 R495N487-N491 WeakPolarHBondContact O-CB 3.36Å; N487-N491 PolarHBondContact O-N 2.85Å; K488-N491 PolarHBondContact O-N 2.71Å; L489-N491 VanDerWaalsContact C-N 3.31Å; L489-N491 PolarHBondContact O-N 3.15Å; N491-E494 PolarHBondContact O-N 3.5Å; N491-R495 VanDerWaalsContact O-CG 3.29Å; N491-R495 WeakPolarHBondContact O-CG 3.45Å; N491-R495 PolarHBondContact O-N 2.76Å
492L93.3Very high92.3Very high10 Ų1060.7 Ų60.75%0.05227%0.27CS..Hα-helixtrans-65.4-39.9176.1-75.1168.3000111.2K488 L489 R495 I496 L563 T566 Y567 V570K488-L492 WeakPolarHBondContact O-CB 3.33Å; K488-L492 VanDerWaalsContact O-CG 3.27Å; K488-L492 WeakPolarHBondContact O-CG 3.18Å; K488-L492 PolarHBondContact O-N 2.89Å; L489-L492 PolarHBondContact O-N 3.11Å; L489-L492 VanDerWaalsContact O-N 3.14Å; L492-R495 PolarHBondContact O-N 3.26Å; L492-I496 WeakPolarHBondContact O-CB 3.47Å; L492-I496 WeakPolarHBondContact O-CG1 3.31Å; L492-I496 PolarHBondContact O-N 3.1Å; L492-L563 HydrophobicContact CD2-CD2 4.16Å; L492-T566 HydrophobicContact CD1-CG2 4.06Å; L492-T566 HydrophobicContact CD2-CG2 4.14Å; L492-Y567 HydrophobicContact CB-CD2 4.06Å; L492-V570 HydrophobicContact CD1-CB 4.25Å; L492-V570 HydrophobicContact CD1-CG2 4.02Å
493E91.8Very high92.3Very high28 Ų2860.7 Ų60.713%0.13127%0.27CS..Hα-helixtrans-63.5-40.9173.8-70.6-168.717800112.1L489 D490 I496 R497 Y525 Y567L489-E493 WeakPolarHBondContact O-CG 3.48Å; L489-E493 PolarHBondContact O-N 3.44Å; D490-E493 PolarHBondContact O-N 3.18Å; E493-I496 PolarHBondContact O-N 3.25Å; E493-R497 VanDerWaalsContact O-CG 3.28Å; E493-R497 WeakPolarHBondContact O-CG 3.34Å; E493-R497 PolarHBondContact O-N 2.91Å; E493-R497 IonicContact OE2-CZ 3.98Å; E493-R497 IonicContact OE2-NH2 3.45Å; E493-R497 PolarHBondContact OE2-NH2 2.9Å; E493-Y525 PolarHBondContact OE1-OH 3.09Å; E493-Y567 HydrophobicContact CG-CD2 4.22Å; E493-Y567 HydrophobicContact CG-CE2 3.5Å; E493-Y567 VanDerWaalsContact CG-CE2 3.5Å; E493-Y567 PolarHBondContact OE1-OH 2.94Å
494E93.6Very high92.2Very high109 Ų10957.8 Ų57.851%0.50926%0.257SS..Hα-helixtrans-60.1-47172.7-104.3-168.6156.200111.7D490 N491 I496 R497 D498D490-E494 PolarHBondContact O-N 3.29Å; N491-E494 PolarHBondContact O-N 3.5Å; E494-I496 VanDerWaalsContact C-N 3.31Å; E494-I496 PolarHBondContact O-N 3.02Å; E494-R497 CarbonylContact O-C 3.58Å; E494-R497 WeakPolarHBondContact O-CB 3.44Å; E494-R497 PolarHBondContact O-N 3.02Å; E494-R497 VanDerWaalsContact O-N 3.11Å; E494-D498 PolarHBondContact O-N 3.21Å
495R95Very high92.1Very high143 Ų14360.5 Ų60.554%0.5427%0.268SS..Hα-helixtrans-61.6-37.9176.3-70.6173.666.5-168.7-0.9112.6N491 L492 D498 E499 L563N491-R495 VanDerWaalsContact O-CG 3.29Å; N491-R495 WeakPolarHBondContact O-CG 3.45Å; N491-R495 PolarHBondContact O-N 2.76Å; L492-R495 PolarHBondContact O-N 3.26Å; R495-D498 PolarHBondContact O-N 3.43Å; R495-E499 WeakPolarHBondContact O-CB 3.34Å; R495-E499 PolarHBondContact O-N 3.21Å; R495-L563 HydrophobicContact CB-CD1 4.32Å; R495-L563 HydrophobicContact CB-CD2 3.99Å
496I93.4Very high92Very high1 Ų164.5 Ų64.51%0.00529%0.288CS..Hα-helixtrans-64.1-44174-72.9166.5000110.3L492 E493 E494 D498 E499 F500 L517 Y525 M560 L563 Y567L492-I496 WeakPolarHBondContact O-CB 3.47Å; L492-I496 WeakPolarHBondContact O-CG1 3.31Å; L492-I496 PolarHBondContact O-N 3.1Å; E493-I496 PolarHBondContact O-N 3.25Å; E494-I496 VanDerWaalsContact C-N 3.31Å; E494-I496 PolarHBondContact O-N 3.02Å; I496-D498 VanDerWaalsContact C-N 3.34Å; I496-E499 PolarHBondContact O-N 3.36Å; I496-F500 WeakPolarHBondContact O-CB 3.39Å; I496-F500 PolarHBondContact O-N 3.09Å; I496-L517 HydrophobicContact CG2-CD1 4.09Å; I496-L517 HydrophobicContact CG2-CD2 3.87Å; I496-Y525 HydrophobicContact CD1-CD2 3.7Å; I496-Y525 HydrophobicContact CD1-CE2 4.04Å; I496-Y525 HydrophobicContact CD1-CG 4.23Å; I496-Y525 HydrophobicContact CG2-CD1 4.23Å; I496-Y525 HydrophobicContact CG2-CG 4.14Å; I496-M560 HydrophobicContact CG1-SD 4.44Å; I496-M560 HydrophobicContact CG2-CE 4.28Å; I496-M560 HydrophobicContact CG2-SD 3.87Å; I496-L563 HydrophobicContact CD1-CB 4.41Å; I496-L563 HydrophobicContact CG1-CB 3.76Å; I496-L563 HydrophobicContact CG1-CD1 4.19Å; I496-Y567 HydrophobicContact CD1-CD2 4.36Å; I496-Y567 HydrophobicContact CD1-CG 4.33Å
497R93.7Very high91.8Very high105 Ų10562.2 Ų62.240%0.39628%0.28SS..Hα-helixtrans-64.6-38.3175.8-70.7174.2-164.7126.410.4111.6E493 E494 F500 R501 L517E493-R497 VanDerWaalsContact O-CG 3.28Å; E493-R497 WeakPolarHBondContact O-CG 3.34Å; E493-R497 PolarHBondContact O-N 2.91Å; E493-R497 IonicContact OE2-CZ 3.98Å; E493-R497 IonicContact OE2-NH2 3.45Å; E493-R497 PolarHBondContact OE2-NH2 2.9Å; E494-R497 CarbonylContact O-C 3.58Å; E494-R497 WeakPolarHBondContact O-CB 3.44Å; E494-R497 PolarHBondContact O-N 3.02Å; E494-R497 VanDerWaalsContact O-N 3.11Å; R497-F500 WeakPolarHBondContact O-CB 3.41Å; R497-F500 PolarHBondContact O-N 3.17Å; R497-R501 VanDerWaalsContact O-CG 3.28Å; R497-R501 WeakPolarHBondContact O-CG 3.46Å; R497-R501 PolarHBondContact O-N 2.88Å; R497-L517 HydrophobicContact CG-CD2 4.44Å
498D93.6Very high91.6Very high78 Ų7865.4 Ų65.442%0.41730%0.297SS..Hα-helixtrans-66.2-43.4175.9-76.6-22.5000112.3E494 R495 I496 F500 R501 R502E494-D498 PolarHBondContact O-N 3.21Å; R495-D498 PolarHBondContact O-N 3.43Å; I496-D498 VanDerWaalsContact C-N 3.34Å; D498-F500 VanDerWaalsContact C-N 3.31Å; D498-F500 PolarHBondContact O-N 3.1Å; D498-R501 WeakPolarHBondContact O-CB 3.02Å; D498-R501 PolarHBondContact O-N 3.46Å; D498-R501 IonicContact OD1-CZ 3.61Å; D498-R501 IonicContact OD1-NH1 3.38Å; D498-R501 PolarHBondContact OD1-NH1 3.27Å; D498-R502 PolarHBondContact O-N 2.97Å
499E91.9Very high91.3Very high15 Ų1562.5 Ų62.57%0.0729%0.286CS..Hα-helixtrans-65.8-37.8175.6-172.556.9-164.500111.3R495 I496 R501 R502 C503 N557 Q559 M560 L563R495-E499 WeakPolarHBondContact O-CB 3.34Å; R495-E499 PolarHBondContact O-N 3.21Å; I496-E499 PolarHBondContact O-N 3.36Å; E499-R501 PolarHBondContact O-N 2.64Å; E499-R502 WeakPolarHBondContact O-CB 3.11Å; E499-R502 PolarHBondContact O-N 2.91Å; E499-R502 IonicContact OE1-CZ 3.94Å; E499-R502 IonicContact OE1-NE 3.18Å; E499-R502 PolarHBondContact OE1-NE 3.43Å; E499-R502 IonicContact OE1-NH2 2.72Å; E499-R502 PolarHBondContact OE1-NH2 3.48Å; E499-R502 IonicContact OE2-CZ 3.02Å; E499-R502 IonicContact OE2-NE 2.79Å; E499-R502 PolarHBondContact OE2-NE 2.96Å; E499-R502 IonicContact OE2-NH2 3.62Å; E499-C503 WeakPolarHBondContact O-CB 3.49Å; E499-C503 PolarHBondContact O-N 2.83Å; E499-C503 PolarHBondContact O-SG 3.36Å; E499-N557 PolarHBondContact OE1-ND2 2.96Å; E499-Q559 HydrophobicContact CG-CB 4.24Å; E499-Q559 PolarHBondContact OE1-OE1 3.49Å; E499-Q559 VanDerWaalsContact OE1-OE1 3.06Å; E499-Q559 PolarHBondContact OE2-OE1 3.43Å; E499-M560 HydrophobicContact CB-CE 3.99Å; E499-M560 HydrophobicContact CG-CE 4Å; E499-L563 HydrophobicContact CB-CD1 4.1Å
500F93.3Very high91.1Very high10 Ų1067.7 Ų67.74%0.04431%0.31CS..Hα-helixtrans-58.8-46.2170.5169.3-109000112.1I496 R497 D498 R502 C503 A504 Q511 I515 L517 M527 M560I496-F500 WeakPolarHBondContact O-CB 3.39Å; I496-F500 PolarHBondContact O-N 3.09Å; R497-F500 WeakPolarHBondContact O-CB 3.41Å; R497-F500 PolarHBondContact O-N 3.17Å; D498-F500 VanDerWaalsContact C-N 3.31Å; D498-F500 PolarHBondContact O-N 3.1Å; F500-R502 VanDerWaalsContact C-N 3.3Å; F500-R502 PolarHBondContact O-N 3.39Å; F500-C503 PolarHBondContact O-N 2.85Å; F500-A504 WeakPolarHBondContact O-CB 3.27Å; F500-A504 PolarHBondContact O-N 3.08Å; F500-Q511 HydrophobicContact CE1-CB 4.14Å; F500-Q511 HydrophobicContact CE1-CG 4.11Å; F500-Q511 HydrophobicContact CZ-CB 4.33Å; F500-Q511 HydrophobicContact CZ-CG 4.41Å; F500-I515 HydrophobicContact CE2-CB 4.5Å; F500-I515 HydrophobicContact CE2-CD1 4.21Å; F500-I515 HydrophobicContact CE2-CG1 3.98Å; F500-I515 HydrophobicContact CE2-CG2 4.09Å; F500-I515 HydrophobicContact CZ-CG2 4.23Å; F500-L517 HydrophobicContact CB-CD1 4.46Å; F500-L517 HydrophobicContact CB-CD2 4.41Å; F500-L517 HydrophobicContact CD1-CB 4.33Å; F500-L517 HydrophobicContact CD2-CB 3.87Å; F500-L517 HydrophobicContact CE1-CB 4.48Å; F500-L517 HydrophobicContact CE2-CB 4.02Å; F500-L517 HydrophobicContact CG-CB 4.01Å; F500-L517 HydrophobicContact CZ-CB 4.33Å; F500-M527 HydrophobicContact CD2-CG 4.01Å; F500-M527 HydrophobicContact CD2-SD 4.21Å; F500-M560 HydrophobicContact CB-CE 4.43Å
501R93Very high90.9Very high111 Ų11169 Ų6942%0.41931%0.314SS..Hα-helixtrans-60.7-39.8175.1-69.7166.7-168.7158.1-0.7111.3R497 D498 E499 K505R497-R501 VanDerWaalsContact O-CG 3.28Å; R497-R501 WeakPolarHBondContact O-CG 3.46Å; R497-R501 PolarHBondContact O-N 2.88Å; D498-R501 WeakPolarHBondContact O-CB 3.02Å; D498-R501 PolarHBondContact O-N 3.46Å; D498-R501 IonicContact OD1-CZ 3.61Å; D498-R501 IonicContact OD1-NH1 3.38Å; D498-R501 PolarHBondContact OD1-NH1 3.27Å; E499-R501 PolarHBondContact O-N 2.64Å; R501-K505 WeakPolarHBondContact O-CG 3.29Å; R501-K505 PolarHBondContact O-N 3.33Å; R501-K505 VanDerWaalsContact O-N 3.15Å
502R91.7Very high90.4Very high108 Ų10869.9 Ų69.941%0.40832%0.319SS..Hα-helixtrans-65.2-46.9177.2-164.6-179.578.51061.3111.4D498 E499 F500 K505 I506D498-R502 PolarHBondContact O-N 2.97Å; E499-R502 WeakPolarHBondContact O-CB 3.11Å; E499-R502 PolarHBondContact O-N 2.91Å; E499-R502 IonicContact OE1-CZ 3.94Å; E499-R502 IonicContact OE1-NE 3.18Å; E499-R502 PolarHBondContact OE1-NE 3.43Å; E499-R502 IonicContact OE1-NH2 2.72Å; E499-R502 PolarHBondContact OE1-NH2 3.48Å; E499-R502 IonicContact OE2-CZ 3.02Å; E499-R502 IonicContact OE2-NE 2.79Å; E499-R502 PolarHBondContact OE2-NE 2.96Å; E499-R502 IonicContact OE2-NH2 3.62Å; F500-R502 VanDerWaalsContact C-N 3.3Å; F500-R502 PolarHBondContact O-N 3.39Å; R502-K505 PolarHBondContact O-N 2.93Å; R502-I506 HydrophobicContact CG-CD1 4.21Å; R502-I506 WeakPolarHBondContact O-CG1 3.46Å; R502-I506 PolarHBondContact O-N 2.92Å
503C89Confident90Very high0 Ų076.1 Ų76.10%035%0.345CS..Hα-helixtrans-63.6-40.8177-67.70000112.4E499 F500 K505 I506 L507 M527 F543 N557E499-C503 WeakPolarHBondContact O-CB 3.49Å; E499-C503 PolarHBondContact O-N 2.83Å; E499-C503 PolarHBondContact O-SG 3.36Å; F500-C503 PolarHBondContact O-N 2.85Å; C503-K505 VanDerWaalsContact C-N 3.3Å; C503-K505 PolarHBondContact O-N 3.13Å; C503-I506 PolarHBondContact O-N 3.45Å; C503-L507 WeakPolarHBondContact O-CG 3.19Å; C503-L507 PolarHBondContact O-N 3.18Å; C503-M527 HydrophobicContact CB-CE 4.08Å; C503-M527 HydrophobicContact CB-SD 3.49Å; C503-M527 WeakPolarHBondContact CB-SD 3.25Å; C503-F543 HydrophobicContact CB-CE1 4.27Å; C503-F543 HydrophobicContact CB-CZ 4.44Å; C503-N557 PolarHBondContact SG-ND2 3.29Å
504A89.8Confident89.7Confident2 Ų275.7 Ų75.72%0.01735%0.345CS..Hα-helixtrans-60.3-39.4175.300000112.1F500 N508 L509 Q511 I515F500-A504 WeakPolarHBondContact O-CB 3.27Å; F500-A504 PolarHBondContact O-N 3.08Å; A504-N508 PolarHBondContact O-N 2.62Å; A504-N508 VanDerWaalsContact O-N 3.12Å; A504-L509 PolarHBondContact O-N 3.24Å; A504-Q511 HydrophobicContact CB-CG 3.61Å; A504-I515 HydrophobicContact CB-CG2 3.81Å
505K89.4Confident89.6Confident153 Ų15370.5 Ų70.567%0.66532%0.321SS*.Hα-helixtrans-66.7-43.7173.6-72.4177.5-178.7-1790112.6R501 R502 C503 L507 N508R501-K505 WeakPolarHBondContact O-CG 3.29Å; R501-K505 PolarHBondContact O-N 3.33Å; R501-K505 VanDerWaalsContact O-N 3.15Å; R502-K505 PolarHBondContact O-N 2.93Å; C503-K505 VanDerWaalsContact C-N 3.3Å; C503-K505 PolarHBondContact O-N 3.13Å; K505-L507 VanDerWaalsContact C-N 3.3Å; K505-L507 PolarHBondContact O-N 2.83Å; K505-N508 PolarHBondContact O-N 3.34Å; K505-N508 PolarHBondContact O-OD1 3.1Å
506I87.5Confident89.5Confident89 Ų8967.3 Ų67.346%0.45631%0.311SS..Hα-helixtrans-61.9-39.6178.9-68.7164.8000111.2R502 C503 N508R502-I506 HydrophobicContact CG-CD1 4.21Å; R502-I506 WeakPolarHBondContact O-CG1 3.46Å; R502-I506 PolarHBondContact O-N 2.92Å; C503-I506 PolarHBondContact O-N 3.45Å; I506-N508 VanDerWaalsContact C-N 3.32Å
507L86.8Confident89.4Confident13 Ų1369.3 Ų69.37%0.06832%0.322CS..THydrogen-bonded Turntrans-83.9-5.2-179.9-66.1171.2000113.5C503 K505 L509 I515 L537 L540 F543 F555C503-L507 WeakPolarHBondContact O-CG 3.19Å; C503-L507 PolarHBondContact O-N 3.18Å; K505-L507 VanDerWaalsContact C-N 3.3Å; K505-L507 PolarHBondContact O-N 2.83Å; L507-L509 VanDerWaalsContact C-N 3.28Å; L507-L509 HydrophobicContact CB-CB 4.45Å; L507-L509 HydrophobicContact CB-CD1 3.96Å; L507-L509 HydrophobicContact CB-CG 3.95Å; L507-L509 HydrophobicContact CD1-CD1 4.37Å; L507-L509 PolarHBondContact O-N 3.38Å; L507-I515 HydrophobicContact CD1-CD1 4.06Å; L507-L537 HydrophobicContact CD1-CD2 3.94Å; L507-L537 HydrophobicContact CD2-CD2 4.01Å; L507-L540 HydrophobicContact CD2-CD1 3.72Å; L507-F543 HydrophobicContact CD1-CE2 4.41Å; L507-F543 HydrophobicContact CD1-CZ 4.21Å; L507-F543 HydrophobicContact CD2-CD2 4.4Å; L507-F543 HydrophobicContact CD2-CE2 3.8Å; L507-F543 HydrophobicContact CD2-CZ 4.33Å; L507-F543 HydrophobicContact CG-CE2 4.16Å; L507-F543 HydrophobicContact CG-CZ 4.19Å; L507-F555 HydrophobicContact CD1-CE2 3.88Å; L507-F555 HydrophobicContact CD1-CZ 3.84Å
508N86.8Confident89.4Confident150 Ų15066.9 Ų66.980%0.80232%0.315SS*.THydrogen-bonded Turntrans5144.3-172-71.1-39.2000113.1A504 K505 I506A504-N508 PolarHBondContact O-N 2.62Å; A504-N508 VanDerWaalsContact O-N 3.12Å; K505-N508 PolarHBondContact O-N 3.34Å; K505-N508 PolarHBondContact O-OD1 3.1Å; I506-N508 VanDerWaalsContact C-N 3.32Å
509L87.7Confident89.1Confident25 Ų2566.9 Ų66.913%0.13132%0.321CS..  trans-113.2143.9-178.9-68.1-179.4000111.8A504 L507 Q511 S514 I515 V529 D533A504-L509 PolarHBondContact O-N 3.24Å; L507-L509 VanDerWaalsContact C-N 3.28Å; L507-L509 HydrophobicContact CB-CB 4.45Å; L507-L509 HydrophobicContact CB-CD1 3.96Å; L507-L509 HydrophobicContact CB-CG 3.95Å; L507-L509 HydrophobicContact CD1-CD1 4.37Å; L507-L509 PolarHBondContact O-N 3.38Å; L509-Q511 PolarHBondContact O-N 3.08Å; L509-S514 WeakPolarHBondContact CB-OG 3.3Å; L509-I515 HydrophobicContact CB-CB 4.18Å; L509-I515 HydrophobicContact CB-CG2 3.95Å; L509-I515 HydrophobicContact CD1-CB 4.22Å; L509-V529 HydrophobicContact CD1-CG1 3.53Å; L509-D533 HydrophobicContact CD1-CB 4.4Å; L509-D533 HydrophobicContact CD2-CB 4.24Å
510E86.5Confident88.9Confident116 Ų11668.7 Ų68.754%0.54233%0.331SS..  trans-69124.6175-70.4-175.216900111.1K513 S514 I515E510-K513 HydrophobicContact CB-CB 4.26Å; E510-K513 PolarHBondContact O-N 2.89Å; E510-K513 WeakPolarHBondContact OE2-CD 3.47Å; E510-K513 IonicContact OE2-NZ 2.86Å; E510-K513 PolarHBondContact OE2-NZ 3.45Å; E510-S514 PolarHBondContact N-OG 3.14Å; E510-S514 PolarHBondContact O-N 3.35Å; E510-S514 PolarHBondContact O-OG 3.42Å; E510-I515 PolarHBondContact O-N 3.03Å
511Q87Confident88.4Confident85 Ų8578.1 Ų78.140%0.39738%0.375SS..BIsolated β-bridgetrans-62.3141.2176.9-65.1176.142.700111F500 A504 L509 K513F500-Q511 HydrophobicContact CE1-CB 4.14Å; F500-Q511 HydrophobicContact CE1-CG 4.11Å; F500-Q511 HydrophobicContact CZ-CB 4.33Å; F500-Q511 HydrophobicContact CZ-CG 4.41Å; A504-Q511 HydrophobicContact CB-CG 3.61Å; L509-Q511 PolarHBondContact O-N 3.08Å; Q511-K513 PolarHBondContact O-N 2.67Å
512N84.2Confident88Confident116 Ų11679.5 Ų79.562%0.6239%0.39SS*.THydrogen-bonded Turntrans63.34.7178.9-59.7-33.3000115.8I515 K516N512-I515 WeakPolarHBondContact CA-O 3.41Å; N512-I515 PolarHBondContact N-O 3.28Å; N512-K516 VanDerWaalsContact O-CE 3.3Å; N512-K516 WeakPolarHBondContact O-CE 3.28Å
513K85.1Confident87.7Confident141 Ų14176.3 Ų76.361%0.61338%0.38SS*.THydrogen-bonded Turntrans-121.3-68.7177.7-164.2-169.5-175.8179.80111.8E510 Q511E510-K513 HydrophobicContact CB-CB 4.26Å; E510-K513 PolarHBondContact O-N 2.89Å; E510-K513 WeakPolarHBondContact OE2-CD 3.47Å; E510-K513 IonicContact OE2-NZ 2.86Å; E510-K513 PolarHBondContact OE2-NZ 3.45Å; Q511-K513 PolarHBondContact O-N 2.67Å
514S84.8Confident87.8Confident19 Ų1977.4 Ų77.413%0.13339%0.391CS..THydrogen-bonded Turntrans-86.3-37177.246.80000112.3L509 E510 V529 T530 D533L509-S514 WeakPolarHBondContact CB-OG 3.3Å; E510-S514 PolarHBondContact N-OG 3.14Å; E510-S514 PolarHBondContact O-N 3.35Å; E510-S514 PolarHBondContact O-OG 3.42Å; S514-V529 WeakPolarHBondContact O-CA 3.33Å; S514-T530 PolarHBondContact O-N 3.4Å; S514-D533 WeakPolarHBondContact CB-OD2 3.33Å
515I90.7Very high87.9Confident0 Ų079 Ų790%040%0.397CS..EExtended strand (participates in β ladder)trans-116.8131.8172-166-178.1000109.9F500 A504 L507 L509 E510 N512 M527 R528 V529 F555F500-I515 HydrophobicContact CE2-CB 4.5Å; F500-I515 HydrophobicContact CE2-CD1 4.21Å; F500-I515 HydrophobicContact CE2-CG1 3.98Å; F500-I515 HydrophobicContact CE2-CG2 4.09Å; F500-I515 HydrophobicContact CZ-CG2 4.23Å; A504-I515 HydrophobicContact CB-CG2 3.81Å; L507-I515 HydrophobicContact CD1-CD1 4.06Å; L509-I515 HydrophobicContact CB-CB 4.18Å; L509-I515 HydrophobicContact CB-CG2 3.95Å; L509-I515 HydrophobicContact CD1-CB 4.22Å; E510-I515 PolarHBondContact O-N 3.03Å; N512-I515 WeakPolarHBondContact CA-O 3.41Å; N512-I515 PolarHBondContact N-O 3.28Å; I515-M527 HydrophobicContact CD1-CB 4.31Å; I515-M527 HydrophobicContact CD1-CG 4.5Å; I515-M527 HydrophobicContact CD1-SD 4.06Å; I515-M527 HydrophobicContact CG1-CB 4.39Å; I515-R528 CarbonylContact C-O 3.5Å; I515-R528 WeakPolarHBondContact CA-O 3.36Å; I515-V529 HydrophobicContact CB-CG1 4.03Å; I515-V529 HydrophobicContact CG1-CG1 3.91Å; I515-F555 HydrophobicContact CD1-CZ 3.82Å; I515-F555 HydrophobicContact CG1-CZ 4.23Å
516K92.9Very high88.1Confident76 Ų7671.8 Ų71.833%0.3337%0.366SS..EExtended strand (participates in β ladder)trans-127142.9-179.2-63.5-176178.1-169.80110.5N512 M527 R528N512-K516 VanDerWaalsContact O-CE 3.3Å; N512-K516 WeakPolarHBondContact O-CE 3.28Å; K516-M527 CarbonylContact O-C 3.51Å; K516-M527 WeakPolarHBondContact O-CA 3.35Å; K516-R528 PolarHBondContact N-O 3.21Å; K516-R528 PolarHBondContact O-N 3.39Å
517L92.8Very high88.3Confident43 Ų4367.6 Ų67.623%0.22534%0.344CS..EExtended strand (participates in β ladder)trans-91.4122.1167.7-177.468.8000107.9I496 R497 F500 Y525 M560I496-L517 HydrophobicContact CG2-CD1 4.09Å; I496-L517 HydrophobicContact CG2-CD2 3.87Å; R497-L517 HydrophobicContact CG-CD2 4.44Å; F500-L517 HydrophobicContact CB-CD1 4.46Å; F500-L517 HydrophobicContact CB-CD2 4.41Å; F500-L517 HydrophobicContact CD1-CB 4.33Å; F500-L517 HydrophobicContact CD2-CB 3.87Å; F500-L517 HydrophobicContact CE1-CB 4.48Å; F500-L517 HydrophobicContact CE2-CB 4.02Å; F500-L517 HydrophobicContact CG-CB 4.01Å; F500-L517 HydrophobicContact CZ-CB 4.33Å; L517-Y525 HydrophobicContact CD1-CD1 4.3Å; L517-Y525 HydrophobicContact CD2-CD1 4.41Å; L517-Y525 HydrophobicContact CG-CD1 4.26Å; L517-M560 HydrophobicContact CD1-CE 4.44Å
518E92.1Very high88.6Confident55 Ų5569 Ų6926%0.25735%0.349SS..EExtended strand (participates in β ladder)trans-129.5160.2179.5-74.4177.3-177.800109.4Y525 F526 R528E518-Y525 WeakPolarHBondContact O-CA 3.38Å; E518-F526 HydrophobicContact CB-CD2 4.19Å; E518-F526 HydrophobicContact CB-CE1 4.37Å; E518-F526 HydrophobicContact CB-CE2 3.44Å; E518-F526 VanDerWaalsContact CB-CE2 3.44Å; E518-F526 HydrophobicContact CB-CZ 3.55Å; E518-F526 HydrophobicContact CG-CE2 4.44Å; E518-F526 PolarHBondContact N-O 3.36Å; E518-F526 PolarHBondContact O-N 3.33Å; E518-R528 IonicContact OE1-CZ 3.89Å; E518-R528 IonicContact OE1-NE 2.87Å; E518-R528 PolarHBondContact OE1-NE 2.92Å; E518-R528 IonicContact OE1-NH2 3.63Å; E518-R528 PolarHBondContact OE1-NH2 3.49Å; E518-R528 WeakPolarHBondContact OE2-CD 3.46Å; E518-R528 IonicContact OE2-NE 2.64Å; E518-R528 PolarHBondContact OE2-NE 2.67Å
519S89.2Confident88.9Confident77 Ų7762 Ų6254%0.53831%0.311SS..EExtended strand (participates in β ladder)trans-134147.5173.260.20000111.6G524S519-G524 VanDerWaalsContact CA-O 3.22Å; S519-G524 WeakPolarHBondContact CA-O 3.39Å
520N87.7Confident89Confident53 Ų5362.9 Ų62.928%0.28332%0.317SS..EExtended strand (participates in β ladder)trans-145.1170.917069-2.1000110.4L522 H523 G524 F526N520-L522 VanDerWaalsContact C-N 3.34Å; N520-L522 PolarHBondContact O-N 3.06Å; N520-H523 WeakPolarHBondContact OD1-CA 3.31Å; N520-H523 VanDerWaalsContact OD1-CB 3.29Å; N520-H523 WeakPolarHBondContact OD1-CB 3.48Å; N520-H523 PolarHBondContact OD1-N 2.78Å; N520-G524 PolarHBondContact N-O 3.38Å; N520-G524 VanDerWaalsContact N-O 3.13Å; N520-G524 VanDerWaalsContact O-CA 3.26Å; N520-G524 WeakPolarHBondContact O-CA 3.11Å; N520-G524 PolarHBondContact O-N 2.96Å; N520-G524 PolarHBondContact OD1-N 2.78Å; N520-F526 HydrophobicContact CB-CE1 4.15Å
521E82.5Confident89Confident208 Ų20861.6 Ų61.697%0.97231%0.314SS*.THydrogen-bonded Turntrans-66.6-34.7179.4-65.1-179173.100112.8
522L84.9Confident89Confident141 Ų14166.1 Ų66.174%0.73833%0.332SS*.THydrogen-bonded Turntrans-75.3-42.1-174.2-175.567.3000113.5N520N520-L522 VanDerWaalsContact C-N 3.34Å; N520-L522 PolarHBondContact O-N 3.06Å
523H85.2Confident89.1Confident40 Ų4062.5 Ų62.519%0.18531%0.313CS..THydrogen-bonded Turntrans-110.2-14.2-174.3-60.5-47.3000113.1N520 F526 L546 R556N520-H523 WeakPolarHBondContact OD1-CA 3.31Å; N520-H523 VanDerWaalsContact OD1-CB 3.29Å; N520-H523 WeakPolarHBondContact OD1-CB 3.48Å; N520-H523 PolarHBondContact OD1-N 2.78Å; H523-F526 HydrophobicContact CB-CD1 3.9Å; H523-F526 HydrophobicContact CB-CE1 4.47Å; H523-L546 HydrophobicContact CB-CD1 4.19Å; H523-R556 VanDerWaalsContact O-CZ 3.23Å; H523-R556 PolarHBondContact O-NH1 2.9Å; H523-R556 PolarHBondContact O-NH2 3Å
524G89.4Confident89.2Confident23 Ų2357.5 Ų57.524%0.23729%0.292CS..EExtended strand (participates in β ladder)trans70.4-142.6-168.300000110.6S519 N520 F526S519-G524 VanDerWaalsContact CA-O 3.22Å; S519-G524 WeakPolarHBondContact CA-O 3.39Å; N520-G524 PolarHBondContact N-O 3.38Å; N520-G524 VanDerWaalsContact N-O 3.13Å; N520-G524 VanDerWaalsContact O-CA 3.26Å; N520-G524 WeakPolarHBondContact O-CA 3.11Å; N520-G524 PolarHBondContact O-N 2.96Å; N520-G524 PolarHBondContact OD1-N 2.78Å; G524-F526 VanDerWaalsContact O-CD1 3.29Å; G524-F526 WeakPolarHBondContact O-CD1 3.21Å
525Y92.8Very high89.2Confident35 Ų3563.9 Ų63.914%0.13732%0.317CS..EExtended strand (participates in β ladder)trans-73.7133.9175.5-73.1-80.2000112E493 I496 L517 E518 R556 T564 Y567E493-Y525 PolarHBondContact OE1-OH 3.09Å; I496-Y525 HydrophobicContact CD1-CD2 3.7Å; I496-Y525 HydrophobicContact CD1-CE2 4.04Å; I496-Y525 HydrophobicContact CD1-CG 4.23Å; I496-Y525 HydrophobicContact CG2-CD1 4.23Å; I496-Y525 HydrophobicContact CG2-CG 4.14Å; L517-Y525 HydrophobicContact CD1-CD1 4.3Å; L517-Y525 HydrophobicContact CD2-CD1 4.41Å; L517-Y525 HydrophobicContact CG-CD1 4.26Å; E518-Y525 WeakPolarHBondContact O-CA 3.38Å; Y525-R556 WeakPolarHBondContact O-CD 3.47Å; Y525-R556 PolarHBondContact O-NH1 3.38Å; Y525-T564 VanDerWaalsContact N-CG2 3.32Å; Y525-T564 PolarHBondContact O-OG1 3.28Å; Y525-Y567 HydrophobicContact CD2-CD1 4.1Å; Y525-Y567 HydrophobicContact CD2-CE1 4.3Å; Y525-Y567 HydrophobicContact CD2-CG 4.45Å; Y525-Y567 AromaticContact CE2-CD1 3.7Å; Y525-Y567 HydrophobicContact CE2-CD1 3.7Å; Y525-Y567 HydrophobicContact CE2-CD2 4.32Å; Y525-Y567 AromaticContact CE2-CE1 3.49Å; Y525-Y567 HydrophobicContact CE2-CE1 3.49Å; Y525-Y567 VanDerWaalsContact CE2-CE1 3.49Å; Y525-Y567 HydrophobicContact CE2-CE2 4.14Å; Y525-Y567 HydrophobicContact CE2-CG 4.1Å; Y525-Y567 AromaticContact CE2-CZ 3.71Å
526F93.2Very high88.9Confident3 Ų366.6 Ų66.61%0.01334%0.335CS..EExtended strand (participates in β ladder)trans-146.8160.9174.657.5-93.8000111.1E518 N520 H523 G524 R528 L546 R554 R556E518-F526 HydrophobicContact CB-CD2 4.19Å; E518-F526 HydrophobicContact CB-CE1 4.37Å; E518-F526 HydrophobicContact CB-CE2 3.44Å; E518-F526 VanDerWaalsContact CB-CE2 3.44Å; E518-F526 HydrophobicContact CB-CZ 3.55Å; E518-F526 HydrophobicContact CG-CE2 4.44Å; E518-F526 PolarHBondContact N-O 3.36Å; E518-F526 PolarHBondContact O-N 3.33Å; N520-F526 HydrophobicContact CB-CE1 4.15Å; H523-F526 HydrophobicContact CB-CD1 3.9Å; H523-F526 HydrophobicContact CB-CE1 4.47Å; G524-F526 VanDerWaalsContact O-CD1 3.29Å; G524-F526 WeakPolarHBondContact O-CD1 3.21Å; F526-R528 HydrophobicContact CE2-CB 4.45Å; F526-L546 HydrophobicContact CB-CD1 3.76Å; F526-L546 HydrophobicContact CG-CD1 4.44Å; F526-R554 HydrophobicContact CD2-CB 3.85Å; F526-R554 HydrophobicContact CD2-CG 3.63Å; F526-R554 HydrophobicContact CE2-CB 4.32Å; F526-R554 HydrophobicContact CE2-CG 3.59Å; F526-R554 HydrophobicContact CG-CB 4.39Å; F526-R554 HydrophobicContact CG-CG 4.48Å; F526-R554 HydrophobicContact CZ-CG 4.41Å; F526-R554 VanDerWaalsContact CZ-NE 3.3Å; F526-R556 HydrophobicContact CB-CG 4.16Å
527M93.1Very high88.4Confident0 Ų063.4 Ų63.40%032%0.322CS..EExtended strand (participates in β ladder)trans-96.9138.6172.7-64.3175.4-75.700109.4F500 C503 I515 K516 F543 R554 F555 M560F500-M527 HydrophobicContact CD2-CG 4.01Å; F500-M527 HydrophobicContact CD2-SD 4.21Å; C503-M527 HydrophobicContact CB-CE 4.08Å; C503-M527 HydrophobicContact CB-SD 3.49Å; C503-M527 WeakPolarHBondContact CB-SD 3.25Å; I515-M527 HydrophobicContact CD1-CB 4.31Å; I515-M527 HydrophobicContact CD1-CG 4.5Å; I515-M527 HydrophobicContact CD1-SD 4.06Å; I515-M527 HydrophobicContact CG1-CB 4.39Å; K516-M527 CarbonylContact O-C 3.51Å; K516-M527 WeakPolarHBondContact O-CA 3.35Å; M527-F543 HydrophobicContact CE-CD1 4.47Å; M527-F543 HydrophobicContact CE-CE1 4.22Å; M527-R554 CarbonylContact O-C 3.57Å; M527-R554 WeakPolarHBondContact O-CA 3.08Å; M527-F555 HydrophobicContact CB-CD1 4.33Å; M527-F555 HydrophobicContact CB-CD2 4.42Å; M527-F555 HydrophobicContact CB-CE1 3.83Å; M527-F555 HydrophobicContact CB-CE2 3.97Å; M527-F555 HydrophobicContact CB-CZ 3.66Å; M527-F555 HydrophobicContact CE-CD2 4.13Å; M527-F555 HydrophobicContact CE-CE2 3.83Å; M527-F555 PolarHBondContact N-O 3.16Å; M527-F555 VanDerWaalsContact O-CD1 3.28Å; M527-F555 WeakPolarHBondContact O-CD1 3.32Å; M527-F555 PolarHBondContact O-N 3.04Å; M527-F555 HydrophobicContact SD-CE2 4.26Å; M527-M560 HydrophobicContact SD-CE 4.43Å
528R92.9Very high87.8Confident44 Ų4469.3 Ų69.317%0.16634%0.341CS..EExtended strand (participates in β ladder)trans-119.9128.8175.1-175.1174.162.889.4-4.9110.2I515 K516 E518 F526 G551 V553I515-R528 CarbonylContact C-O 3.5Å; I515-R528 WeakPolarHBondContact CA-O 3.36Å; K516-R528 PolarHBondContact N-O 3.21Å; K516-R528 PolarHBondContact O-N 3.39Å; E518-R528 IonicContact OE1-CZ 3.89Å; E518-R528 IonicContact OE1-NE 2.87Å; E518-R528 PolarHBondContact OE1-NE 2.92Å; E518-R528 IonicContact OE1-NH2 3.63Å; E518-R528 PolarHBondContact OE1-NH2 3.49Å; E518-R528 WeakPolarHBondContact OE2-CD 3.46Å; E518-R528 IonicContact OE2-NE 2.64Å; E518-R528 PolarHBondContact OE2-NE 2.67Å; F526-R528 HydrophobicContact CE2-CB 4.45Å; R528-G551 PolarHBondContact NH1-O 2.74Å; R528-V553 WeakPolarHBondContact CA-O 3.37Å
529V92.9Very high86.9Confident1 Ų170.6 Ų70.61%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-108.7154.9167.1-74.60000110.8L509 S514 I515 D533 L537 G552 V553 F555L509-V529 HydrophobicContact CD1-CG1 3.53Å; S514-V529 WeakPolarHBondContact O-CA 3.33Å; I515-V529 HydrophobicContact CB-CG1 4.03Å; I515-V529 HydrophobicContact CG1-CG1 3.91Å; V529-D533 HydrophobicContact CB-CB 4.32Å; V529-L537 HydrophobicContact CG2-CD1 3.53Å; V529-L537 HydrophobicContact CG2-CG 4.3Å; V529-G552 CarbonylContact O-C 3.51Å; V529-G552 WeakPolarHBondContact O-CA 3.33Å; V529-V553 HydrophobicContact CG2-CB 4.23Å; V529-V553 PolarHBondContact N-O 3.1Å; V529-V553 VanDerWaalsContact N-O 3.08Å; V529-V553 PolarHBondContact O-N 3.42Å; V529-F555 HydrophobicContact CB-CE1 4.13Å; V529-F555 HydrophobicContact CG1-CE1 3.65Å; V529-F555 HydrophobicContact CG1-CZ 3.92Å; V529-F555 HydrophobicContact CG2-CD1 4.21Å; V529-F555 HydrophobicContact CG2-CE1 3.76Å
530T89.9Confident86.5Confident44 Ų4470.3 Ų70.327%0.2736%0.361SS..  trans-65.6156.3172.980.10000111S514 K532 D533 E534S514-T530 PolarHBondContact O-N 3.4Å; T530-K532 PolarHBondContact O-N 2.94Å; T530-K532 VanDerWaalsContact O-N 3.11Å; T530-K532 PolarHBondContact OG1-N 3.23Å; T530-D533 PolarHBondContact O-N 3.45Å; T530-D533 PolarHBondContact OG1-N 3.3Å; T530-D533 PolarHBondContact OG1-OD2 2.74Å; T530-E534 PolarHBondContact O-N 2.97Å; T530-E534 VanDerWaalsContact O-N 3.14Å
531L86.5Confident86.1Confident89 Ų8977.9 Ų77.947%0.46639%0.391SS..THydrogen-bonded Turntrans-60.2-20.8175.5-68.8171.5000113T548 V553L531-T548 HydrophobicContact CD2-CG2 3.97Å; L531-V553 HydrophobicContact CD2-CG2 4.18Å
532K86.2Confident86.2Confident180 Ų18072.1 Ų72.178%0.78337%0.371SS*.THydrogen-bonded Turntrans-72.7-37.6175.4-65.3-176.9178.4-178.70111.7T530T530-K532 PolarHBondContact O-N 2.94Å; T530-K532 VanDerWaalsContact O-N 3.11Å; T530-K532 PolarHBondContact OG1-N 3.23Å
533D86.5Confident86.4Confident40 Ų4066.5 Ų66.521%0.21434%0.34CS..G310 helixtrans-92.2-4.2-175.2-51.4-44.3000112.6L509 S514 V529 T530 K535 C536L509-D533 HydrophobicContact CD1-CB 4.4Å; L509-D533 HydrophobicContact CD2-CB 4.24Å; S514-D533 WeakPolarHBondContact CB-OD2 3.33Å; V529-D533 HydrophobicContact CB-CB 4.32Å; T530-D533 PolarHBondContact O-N 3.45Å; T530-D533 PolarHBondContact OG1-N 3.3Å; T530-D533 PolarHBondContact OG1-OD2 2.74Å; D533-K535 PolarHBondContact O-N 3.45Å; D533-K535 VanDerWaalsContact O-N 3.09Å; D533-C536 VanDerWaalsContact O-CB 3.31Å; D533-C536 WeakPolarHBondContact O-CB 3.41Å; D533-C536 PolarHBondContact O-N 3.19Å
534E86.8Confident86.6Confident36 Ų3670 Ų7017%0.16836%0.357CS..G310 helixtrans-52.3-31.7175.7177.1-82.6152.700112.7T530 C536 L537 R538 V553T530-E534 PolarHBondContact O-N 2.97Å; T530-E534 VanDerWaalsContact O-N 3.14Å; E534-C536 PolarHBondContact O-N 3.44Å; E534-C536 VanDerWaalsContact O-N 3.11Å; E534-L537 WeakPolarHBondContact O-CB 3.31Å; E534-L537 PolarHBondContact O-N 3.29Å; E534-R538 WeakPolarHBondContact OE1-CG 3.31Å; E534-R538 IonicContact OE1-CZ 3.81Å; E534-R538 IonicContact OE1-NE 2.94Å; E534-R538 PolarHBondContact OE1-NE 2.95Å; E534-R538 IonicContact OE1-NH2 3.84Å; E534-R538 IonicContact OE2-CZ 3.25Å; E534-R538 VanDerWaalsContact OE2-CZ 3.25Å; E534-R538 IonicContact OE2-NE 2.97Å; E534-R538 PolarHBondContact OE2-NE 2.77Å; E534-R538 IonicContact OE2-NH2 2.69Å; E534-R538 PolarHBondContact OE2-NH2 2.97Å; E534-V553 HydrophobicContact CB-CG2 3.98Å; E534-V553 HydrophobicContact CG-CB 4.41Å; E534-V553 HydrophobicContact CG-CG2 3.51Å
535K85.5Confident86.6Confident154 Ų15473 Ų7367%0.6737%0.366SS*.G310 helixtrans-55.5-30.6176.7-63.3-179-176.6178.30112.8D533 L537 R538D533-K535 PolarHBondContact O-N 3.45Å; D533-K535 VanDerWaalsContact O-N 3.09Å; K535-L537 PolarHBondContact O-N 3.17Å; K535-R538 PolarHBondContact O-N 3.41Å
536C83.5Confident86.5Confident57 Ų5773.5 Ų73.539%0.38537%0.371SS..G310 helixtrans-69.4-19.3179-59.30000113D533 E534 L540D533-C536 VanDerWaalsContact O-CB 3.31Å; D533-C536 WeakPolarHBondContact O-CB 3.41Å; D533-C536 PolarHBondContact O-N 3.19Å; E534-C536 PolarHBondContact O-N 3.44Å; E534-C536 VanDerWaalsContact O-N 3.11Å; C536-L540 VanDerWaalsContact O-CD1 3.31Å; C536-L540 WeakPolarHBondContact O-CD1 3.46Å
537L83.8Confident86.4Confident9 Ų975.2 Ų75.25%0.04738%0.38CS..THydrogen-bonded Turntrans-87.7-23.8177.6-61.4175.8000112.6L507 V529 E534 K535 G539 L540 F543 V553 F555L507-L537 HydrophobicContact CD1-CD2 3.94Å; L507-L537 HydrophobicContact CD2-CD2 4.01Å; V529-L537 HydrophobicContact CG2-CD1 3.53Å; V529-L537 HydrophobicContact CG2-CG 4.3Å; E534-L537 WeakPolarHBondContact O-CB 3.31Å; E534-L537 PolarHBondContact O-N 3.29Å; K535-L537 PolarHBondContact O-N 3.17Å; L537-G539 PolarHBondContact O-N 3.43Å; L537-L540 PolarHBondContact O-N 3.04Å; L537-F543 HydrophobicContact CD2-CB 4.47Å; L537-F543 HydrophobicContact CD2-CD2 4.3Å; L537-F543 HydrophobicContact CD2-CG 4.35Å; L537-V553 HydrophobicContact CD1-CG1 4.22Å; L537-F555 HydrophobicContact CD1-CB 4.31Å; L537-F555 HydrophobicContact CD1-CD1 3.49Å; L537-F555 VanDerWaalsContact CD1-CD1 3.49Å; L537-F555 HydrophobicContact CD1-CD2 4.28Å; L537-F555 HydrophobicContact CD1-CE1 3.81Å; L537-F555 HydrophobicContact CD1-CG 3.76Å; L537-F555 HydrophobicContact CD1-CZ 4.3Å; L537-F555 HydrophobicContact CD2-CD1 4.3Å; L537-F555 HydrophobicContact CD2-CD2 3.75Å; L537-F555 HydrophobicContact CD2-CE1 4.19Å; L537-F555 HydrophobicContact CD2-CE2 3.58Å; L537-F555 HydrophobicContact CD2-CG 4.1Å; L537-F555 HydrophobicContact CD2-CZ 3.81Å
538R79.3Confident86.2Confident167 Ų16779.7 Ų79.763%0.6341%0.408SS*.THydrogen-bonded Turntrans-65126-177.4-64.2-170.6-156.9175.28.8110.7E534 K535E534-R538 WeakPolarHBondContact OE1-CG 3.31Å; E534-R538 IonicContact OE1-CZ 3.81Å; E534-R538 IonicContact OE1-NE 2.94Å; E534-R538 PolarHBondContact OE1-NE 2.95Å; E534-R538 IonicContact OE1-NH2 3.84Å; E534-R538 IonicContact OE2-CZ 3.25Å; E534-R538 VanDerWaalsContact OE2-CZ 3.25Å; E534-R538 IonicContact OE2-NE 2.97Å; E534-R538 PolarHBondContact OE2-NE 2.77Å; E534-R538 IonicContact OE2-NH2 2.69Å; E534-R538 PolarHBondContact OE2-NH2 2.97Å; K535-R538 PolarHBondContact O-N 3.41Å
539G73.8Confident86Confident81 Ų8182 Ų8284%0.83542%0.421SS*.THydrogen-bonded Turntrans92.4-11.9177.100000115.1L537 K541L537-G539 PolarHBondContact O-N 3.43Å; G539-K541 PolarHBondContact O-N 3.05Å
540L80Confident85.7Confident71 Ų7192 Ų9237%0.37246%0.464SS..  trans-85.6101.5176.1-67.1176.9000110.8L507 C536 L537 T542 F543L507-L540 HydrophobicContact CD2-CD1 3.72Å; C536-L540 VanDerWaalsContact O-CD1 3.31Å; C536-L540 WeakPolarHBondContact O-CD1 3.46Å; L537-L540 PolarHBondContact O-N 3.04Å; L540-T542 PolarHBondContact O-N 2.87Å; L540-F543 HydrophobicContact CB-CD2 3.97Å; L540-F543 HydrophobicContact CD1-CD2 3.94Å; L540-F543 HydrophobicContact CD1-CE2 3.92Å; L540-F543 PolarHBondContact O-N 3.16Å
541K79.1Confident85.4Confident213 Ų21392.1 Ų92.193%0.92647%0.473SS*.THydrogen-bonded Turntrans-63.8-8.8175.6-63.7-172.1179.3-178.40114.2G539G539-K541 PolarHBondContact O-N 3.05Å
542T86.2Confident85.6Confident87 Ų8787.9 Ų87.953%0.53445%0.451SS..THydrogen-bonded Turntrans-76-22.8178.643.30000113.5L540 N557L540-T542 PolarHBondContact O-N 2.87Å; T542-N557 WeakPolarHBondContact O-CA 3.18Å; T542-N557 VanDerWaalsContact O-CB 3.29Å; T542-N557 WeakPolarHBondContact O-CB 3.34Å
543F88.7Confident85.9Confident22 Ų2279.4 Ų79.410%0.09642%0.415CS..EExtended strand (participates in β ladder)trans-111.7134-176.5-62.8-72.9000111.1C503 L507 M527 L537 L540 F555 R556 N557C503-F543 HydrophobicContact CB-CE1 4.27Å; C503-F543 HydrophobicContact CB-CZ 4.44Å; L507-F543 HydrophobicContact CD1-CE2 4.41Å; L507-F543 HydrophobicContact CD1-CZ 4.21Å; L507-F543 HydrophobicContact CD2-CD2 4.4Å; L507-F543 HydrophobicContact CD2-CE2 3.8Å; L507-F543 HydrophobicContact CD2-CZ 4.33Å; L507-F543 HydrophobicContact CG-CE2 4.16Å; L507-F543 HydrophobicContact CG-CZ 4.19Å; M527-F543 HydrophobicContact CE-CD1 4.47Å; M527-F543 HydrophobicContact CE-CE1 4.22Å; L537-F543 HydrophobicContact CD2-CB 4.47Å; L537-F543 HydrophobicContact CD2-CD2 4.3Å; L537-F543 HydrophobicContact CD2-CG 4.35Å; L540-F543 HydrophobicContact CB-CD2 3.97Å; L540-F543 HydrophobicContact CD1-CD2 3.94Å; L540-F543 HydrophobicContact CD1-CE2 3.92Å; L540-F543 PolarHBondContact O-N 3.16Å; F543-F555 HydrophobicContact CB-CD2 4.11Å; F543-F555 AromaticContact CD1-CD2 3.67Å; F543-F555 HydrophobicContact CD1-CD2 3.67Å; F543-F555 AromaticContact CD1-CE2 3.81Å; F543-F555 HydrophobicContact CD1-CE2 3.81Å; F543-F555 HydrophobicContact CE1-CD2 4.36Å; F543-F555 HydrophobicContact CE1-CE2 4.06Å; F543-F555 HydrophobicContact CG-CD2 4.06Å; F543-F555 HydrophobicContact CG-CE2 4.34Å; F543-R556 CarbonylContact C-O 3.52Å; F543-R556 VanDerWaalsContact CA-O 3.31Å; F543-R556 WeakPolarHBondContact CA-O 3.39Å; F543-N557 HydrophobicContact CD1-CB 3.78Å; F543-N557 HydrophobicContact CE1-CB 3.93Å
544E88.4Confident86.2Confident114 Ų11479 Ų7953%0.53341%0.41SS..EExtended strand (participates in β ladder)trans-103.5126.2175-177.8-179.5-178.600109.1F555 R556E544-F555 CarbonylContact O-C 3.33Å; E544-F555 WeakPolarHBondContact O-CA 3.4Å; E544-F555 VanDerWaalsContact O-CB 3.25Å; E544-F555 WeakPolarHBondContact O-CB 3.08Å; E544-R556 PolarHBondContact N-O 3.17Å; E544-R556 PolarHBondContact O-N 2.79Å
545I90.5Very high86.5Confident85 Ų8577.2 Ų77.244%0.43640%0.402SS..EExtended strand (participates in β ladder)trans-86.9126.1178.4-62172000108.5V553I545-V553 HydrophobicContact CD1-CG1 4.49Å; I545-V553 HydrophobicContact CG1-CG1 4.28Å; I545-V553 HydrophobicContact CG2-CG1 3.6Å
546L89.4Confident86.9Confident47 Ų4771.1 Ų71.125%0.24638%0.375CS..EExtended strand (participates in β ladder)trans-87.2-59.9-178.9-59.6172.5000111.4H523 F526 R554 R556H523-L546 HydrophobicContact CB-CD1 4.19Å; F526-L546 HydrophobicContact CB-CD1 3.76Å; F526-L546 HydrophobicContact CG-CD1 4.44Å; L546-R554 HydrophobicContact CB-CB 4.31Å; L546-R554 HydrophobicContact CD1-CB 4.42Å; L546-R554 PolarHBondContact N-O 3.4Å; L546-R556 HydrophobicContact CD1-CG 4.21Å
547D90.8Very high87.3Confident38 Ų3868.9 Ų68.920%0.20336%0.359CS..EExtended strand (participates in β ladder)trans-149.8167178.178.2-4.8000110.8Q549 R554D547-Q549 PolarHBondContact OD2-NE2 3.16Å; D547-R554 PolarHBondContact O-N 3.44Å; D547-R554 VanDerWaalsContact OD1-CB 3.31Å; D547-R554 WeakPolarHBondContact OD1-CB 3.42Å; D547-R554 WeakPolarHBondContact OD1-CD 3.5Å; D547-R554 WeakPolarHBondContact OD1-CG 3.5Å; D547-R554 IonicContact OD1-CZ 2.83Å; D547-R554 IonicContact OD1-NE 3.73Å; D547-R554 IonicContact OD1-NH1 3.18Å; D547-R554 PolarHBondContact OD1-NH1 2.69Å; D547-R554 IonicContact OD2-CZ 2.66Å; D547-R554 IonicContact OD2-NH1 2.99Å; D547-R554 PolarHBondContact OD2-NH1 3.36Å
548T90Very high87.7Confident94 Ų9477.2 Ų77.258%0.57740%0.395SS*.EExtended strand (participates in β ladder)trans-124.6121.5171.5-61.10000108.2L531 V553L531-T548 HydrophobicContact CD2-CG2 3.97Å; T548-V553 HydrophobicContact CG2-CG2 4.02Å
549Q88.3Confident88.3Confident94 Ų9473.6 Ų73.644%0.43939%0.385SS..EExtended strand (participates in β ladder)trans-119.6169.2177.2-59.6-162-14.600110.3D547 G551 G552D547-Q549 PolarHBondContact OD2-NE2 3.16Å; Q549-G551 PolarHBondContact O-N 3.19Å; Q549-G552 PolarHBondContact N-O 2.87Å; Q549-G552 PolarHBondContact O-N 2.9Å; Q549-G552 VanDerWaalsContact O-O 3.12Å
550K86.2Confident89.2Confident211 Ų21169.8 Ų69.892%0.91735%0.345SS*.THydrogen-bonded Turntrans-53.4-29.6175.9-70.2-174.8177.7-179.70112.9
551G84.7Confident89.8Confident45 Ų4567.6 Ų67.646%0.46434%0.335SS..THydrogen-bonded Turntrans-80.1-14179.100000115.6R528 Q549R528-G551 PolarHBondContact NH1-O 2.74Å; Q549-G551 PolarHBondContact O-N 3.19Å
552G90.2Very high90.5Very high0 Ų060.1 Ų60.10%031%0.309CS..EExtended strand (participates in β ladder)trans148-178.8-174.500000114.2V529 Q549V529-G552 CarbonylContact O-C 3.51Å; V529-G552 WeakPolarHBondContact O-CA 3.33Å; Q549-G552 PolarHBondContact N-O 2.87Å; Q549-G552 PolarHBondContact O-N 2.9Å; Q549-G552 VanDerWaalsContact O-O 3.12Å
553V92.5Very high90.9Very high2 Ų256.6 Ų56.61%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-98.6127.1174.5-179.50000109.2R528 V529 L531 E534 L537 I545 T548R528-V553 WeakPolarHBondContact CA-O 3.37Å; V529-V553 HydrophobicContact CG2-CB 4.23Å; V529-V553 PolarHBondContact N-O 3.1Å; V529-V553 VanDerWaalsContact N-O 3.08Å; V529-V553 PolarHBondContact O-N 3.42Å; L531-V553 HydrophobicContact CD2-CG2 4.18Å; E534-V553 HydrophobicContact CB-CG2 3.98Å; E534-V553 HydrophobicContact CG-CB 4.41Å; E534-V553 HydrophobicContact CG-CG2 3.51Å; L537-V553 HydrophobicContact CD1-CG1 4.22Å; I545-V553 HydrophobicContact CD1-CG1 4.49Å; I545-V553 HydrophobicContact CG1-CG1 4.28Å; I545-V553 HydrophobicContact CG2-CG1 3.6Å; T548-V553 HydrophobicContact CG2-CG2 4.02Å
554R93.3Very high91.1Very high31 Ų3155.8 Ų55.812%0.11728%0.284CS..EExtended strand (participates in β ladder)trans-94132.7173.9-60.2-173.8179.41291.3109.8F526 M527 L546 D547F526-R554 HydrophobicContact CD2-CB 3.85Å; F526-R554 HydrophobicContact CD2-CG 3.63Å; F526-R554 HydrophobicContact CE2-CB 4.32Å; F526-R554 HydrophobicContact CE2-CG 3.59Å; F526-R554 HydrophobicContact CG-CB 4.39Å; F526-R554 HydrophobicContact CG-CG 4.48Å; F526-R554 HydrophobicContact CZ-CG 4.41Å; F526-R554 VanDerWaalsContact CZ-NE 3.3Å; M527-R554 CarbonylContact O-C 3.57Å; M527-R554 WeakPolarHBondContact O-CA 3.08Å; L546-R554 HydrophobicContact CB-CB 4.31Å; L546-R554 HydrophobicContact CD1-CB 4.42Å; L546-R554 PolarHBondContact N-O 3.4Å; D547-R554 PolarHBondContact O-N 3.44Å; D547-R554 VanDerWaalsContact OD1-CB 3.31Å; D547-R554 WeakPolarHBondContact OD1-CB 3.42Å; D547-R554 WeakPolarHBondContact OD1-CD 3.5Å; D547-R554 WeakPolarHBondContact OD1-CG 3.5Å; D547-R554 IonicContact OD1-CZ 2.83Å; D547-R554 IonicContact OD1-NE 3.73Å; D547-R554 IonicContact OD1-NH1 3.18Å; D547-R554 PolarHBondContact OD1-NH1 2.69Å; D547-R554 IonicContact OD2-CZ 2.66Å; D547-R554 IonicContact OD2-NH1 2.99Å; D547-R554 PolarHBondContact OD2-NH1 3.36Å
555F92.6Very high91.3Very high0 Ų055.8 Ų55.80%028%0.284CS..EExtended strand (participates in β ladder)trans-150.3162.3-176.766.1-76.8000111.3L507 I515 M527 V529 L537 F543 E544L507-F555 HydrophobicContact CD1-CE2 3.88Å; L507-F555 HydrophobicContact CD1-CZ 3.84Å; I515-F555 HydrophobicContact CD1-CZ 3.82Å; I515-F555 HydrophobicContact CG1-CZ 4.23Å; M527-F555 HydrophobicContact CB-CD1 4.33Å; M527-F555 HydrophobicContact CB-CD2 4.42Å; M527-F555 HydrophobicContact CB-CE1 3.83Å; M527-F555 HydrophobicContact CB-CE2 3.97Å; M527-F555 HydrophobicContact CB-CZ 3.66Å; M527-F555 HydrophobicContact CE-CD2 4.13Å; M527-F555 HydrophobicContact CE-CE2 3.83Å; M527-F555 PolarHBondContact N-O 3.16Å; M527-F555 VanDerWaalsContact O-CD1 3.28Å; M527-F555 WeakPolarHBondContact O-CD1 3.32Å; M527-F555 PolarHBondContact O-N 3.04Å; M527-F555 HydrophobicContact SD-CE2 4.26Å; V529-F555 HydrophobicContact CB-CE1 4.13Å; V529-F555 HydrophobicContact CG1-CE1 3.65Å; V529-F555 HydrophobicContact CG1-CZ 3.92Å; V529-F555 HydrophobicContact CG2-CD1 4.21Å; V529-F555 HydrophobicContact CG2-CE1 3.76Å; L537-F555 HydrophobicContact CD1-CB 4.31Å; L537-F555 HydrophobicContact CD1-CD1 3.49Å; L537-F555 VanDerWaalsContact CD1-CD1 3.49Å; L537-F555 HydrophobicContact CD1-CD2 4.28Å; L537-F555 HydrophobicContact CD1-CE1 3.81Å; L537-F555 HydrophobicContact CD1-CG 3.76Å; L537-F555 HydrophobicContact CD1-CZ 4.3Å; L537-F555 HydrophobicContact CD2-CD1 4.3Å; L537-F555 HydrophobicContact CD2-CD2 3.75Å; L537-F555 HydrophobicContact CD2-CE1 4.19Å; L537-F555 HydrophobicContact CD2-CE2 3.58Å; L537-F555 HydrophobicContact CD2-CG 4.1Å; L537-F555 HydrophobicContact CD2-CZ 3.81Å; F543-F555 HydrophobicContact CB-CD2 4.11Å; F543-F555 AromaticContact CD1-CD2 3.67Å; F543-F555 HydrophobicContact CD1-CD2 3.67Å; F543-F555 AromaticContact CD1-CE2 3.81Å; F543-F555 HydrophobicContact CD1-CE2 3.81Å; F543-F555 HydrophobicContact CE1-CD2 4.36Å; F543-F555 HydrophobicContact CE1-CE2 4.06Å; F543-F555 HydrophobicContact CG-CD2 4.06Å; F543-F555 HydrophobicContact CG-CE2 4.34Å; E544-F555 CarbonylContact O-C 3.33Å; E544-F555 WeakPolarHBondContact O-CA 3.4Å; E544-F555 VanDerWaalsContact O-CB 3.25Å; E544-F555 WeakPolarHBondContact O-CB 3.08Å
556R92.8Very high91.5Very high26 Ų2654.5 Ų54.510%0.09828%0.281CS..EExtended strand (participates in β ladder)trans-139.6165174.9-76.7-172.7-88.5-157.6-4.1110.1H523 Y525 F526 F543 E544 L546 M560H523-R556 VanDerWaalsContact O-CZ 3.23Å; H523-R556 PolarHBondContact O-NH1 2.9Å; H523-R556 PolarHBondContact O-NH2 3Å; Y525-R556 WeakPolarHBondContact O-CD 3.47Å; Y525-R556 PolarHBondContact O-NH1 3.38Å; F526-R556 HydrophobicContact CB-CG 4.16Å; F543-R556 CarbonylContact C-O 3.52Å; F543-R556 VanDerWaalsContact CA-O 3.31Å; F543-R556 WeakPolarHBondContact CA-O 3.39Å; E544-R556 PolarHBondContact N-O 3.17Å; E544-R556 PolarHBondContact O-N 2.79Å; L546-R556 HydrophobicContact CD1-CG 4.21Å; R556-M560 HydrophobicContact CB-CB 4.28Å; R556-M560 HydrophobicContact CB-CG 4.34Å; R556-M560 HydrophobicContact CG-CB 4.34Å; R556-M560 HydrophobicContact CG-CG 3.86Å
557N92.3Very high91.7Very high10 Ų1053.4 Ų53.45%0.05327%0.273CS..EExtended strand (participates in β ladder)trans-110171.6162.168.3-2.6000109.3E499 C503 T542 F543 Q559 M560 T561E499-N557 PolarHBondContact OE1-ND2 2.96Å; C503-N557 PolarHBondContact SG-ND2 3.29Å; T542-N557 WeakPolarHBondContact O-CA 3.18Å; T542-N557 VanDerWaalsContact O-CB 3.29Å; T542-N557 WeakPolarHBondContact O-CB 3.34Å; F543-N557 HydrophobicContact CD1-CB 3.78Å; F543-N557 HydrophobicContact CE1-CB 3.93Å; N557-Q559 PolarHBondContact O-N 3.27Å; N557-Q559 VanDerWaalsContact O-N 3.16Å; N557-Q559 PolarHBondContact OD1-N 3.41Å; N557-M560 PolarHBondContact O-N 2.78Å; N557-M560 VanDerWaalsContact O-N 3.14Å; N557-M560 WeakPolarHBondContact OD1-CB 3.4Å; N557-M560 PolarHBondContact OD1-N 2.74Å; N557-T561 PolarHBondContact O-N 2.92Å; N557-T561 PolarHBondContact O-OG1 2.54Å; N557-T561 VanDerWaalsContact O-OG1 3.13Å
558K92.4Very high91.7Very high183 Ų18353.7 Ų53.780%0.79628%0.281SS*.Hα-helixtrans-54.2-37.5-179.7-65.2-172.9176.3-1730113.4S562K558-S562 PolarHBondContact O-N 3.17Å; K558-S562 VanDerWaalsContact O-N 3.08Å; K558-S562 PolarHBondContact O-OG 2.88Å
559Q92.5Very high91.9Very high92 Ų9255.3 Ų55.343%0.4328%0.282SS..Hα-helixtrans-68.9-46.2178.9-69.8-175.5-7.900111.6E499 N557 T561 S562 L563E499-Q559 HydrophobicContact CG-CB 4.24Å; E499-Q559 PolarHBondContact OE1-OE1 3.49Å; E499-Q559 VanDerWaalsContact OE1-OE1 3.06Å; E499-Q559 PolarHBondContact OE2-OE1 3.43Å; N557-Q559 PolarHBondContact O-N 3.27Å; N557-Q559 VanDerWaalsContact O-N 3.16Å; N557-Q559 PolarHBondContact OD1-N 3.41Å; Q559-T561 VanDerWaalsContact C-N 3.31Å; Q559-T561 PolarHBondContact O-N 3.46Å; Q559-S562 PolarHBondContact O-N 2.91Å; Q559-S562 PolarHBondContact O-OG 3.36Å; Q559-L563 WeakPolarHBondContact O-CG 3.38Å; Q559-L563 PolarHBondContact O-N 2.85Å
560M91.7Very high92.1Very high0 Ų051.7 Ų51.70%027%0.266CS..Hα-helixtrans-61.3-39.5175.3-172.562.569.100111.8I496 E499 F500 L517 M527 R556 N557 L563 T564I496-M560 HydrophobicContact CG1-SD 4.44Å; I496-M560 HydrophobicContact CG2-CE 4.28Å; I496-M560 HydrophobicContact CG2-SD 3.87Å; E499-M560 HydrophobicContact CB-CE 3.99Å; E499-M560 HydrophobicContact CG-CE 4Å; F500-M560 HydrophobicContact CB-CE 4.43Å; L517-M560 HydrophobicContact CD1-CE 4.44Å; M527-M560 HydrophobicContact SD-CE 4.43Å; R556-M560 HydrophobicContact CB-CB 4.28Å; R556-M560 HydrophobicContact CB-CG 4.34Å; R556-M560 HydrophobicContact CG-CB 4.34Å; R556-M560 HydrophobicContact CG-CG 3.86Å; N557-M560 PolarHBondContact O-N 2.78Å; N557-M560 VanDerWaalsContact O-N 3.14Å; N557-M560 WeakPolarHBondContact OD1-CB 3.4Å; N557-M560 PolarHBondContact OD1-N 2.74Å; M560-L563 PolarHBondContact O-N 3.21Å; M560-T564 VanDerWaalsContact O-CB 3.3Å; M560-T564 WeakPolarHBondContact O-CB 3.12Å; M560-T564 PolarHBondContact O-N 3.48Å; M560-T564 PolarHBondContact O-OG1 3.11Å
561T92.6Very high92.4Very high25 Ų2546 Ų4615%0.15324%0.242CC..Hα-helixtrans-59-52.3173.7-56.80000110.6N557 Q559 L563 T564 E565N557-T561 PolarHBondContact O-N 2.92Å; N557-T561 PolarHBondContact O-OG1 2.54Å; N557-T561 VanDerWaalsContact O-OG1 3.13Å; Q559-T561 VanDerWaalsContact C-N 3.31Å; Q559-T561 PolarHBondContact O-N 3.46Å; T561-L563 PolarHBondContact O-N 3.43Å; T561-T564 PolarHBondContact O-N 3.47Å; T561-T564 VanDerWaalsContact O-N 3.15Å; T561-E565 HydrophobicContact CG2-CG 4.45Å; T561-E565 WeakPolarHBondContact CG2-OE1 3.36Å; T561-E565 WeakPolarHBondContact O-CG 3.34Å; T561-E565 PolarHBondContact O-N 2.97Å
562S93.9Very high92.7Very high56 Ų5650.9 Ų50.939%0.39225%0.252SS..Hα-helixtrans-59.4-42.5177.964.60000113.3K558 Q559 T564 E565 T566K558-S562 PolarHBondContact O-N 3.17Å; K558-S562 VanDerWaalsContact O-N 3.08Å; K558-S562 PolarHBondContact O-OG 2.88Å; Q559-S562 PolarHBondContact O-N 2.91Å; Q559-S562 PolarHBondContact O-OG 3.36Å; S562-T564 PolarHBondContact O-N 3.4Å; S562-E565 PolarHBondContact O-N 2.96Å; S562-T566 WeakPolarHBondContact O-CB 3.11Å; S562-T566 PolarHBondContact O-N 3.18Å; S562-T566 PolarHBondContact O-OG1 2.83Å
563L94.7Very high92.8Very high13 Ų1355.8 Ų55.87%0.06828%0.275CS..Hα-helixtrans-65.9-37.9177.2-72.5171.8000112.2L492 R495 I496 E499 Q559 M560 T561 Y567L492-L563 HydrophobicContact CD2-CD2 4.16Å; R495-L563 HydrophobicContact CB-CD1 4.32Å; R495-L563 HydrophobicContact CB-CD2 3.99Å; I496-L563 HydrophobicContact CD1-CB 4.41Å; I496-L563 HydrophobicContact CG1-CB 3.76Å; I496-L563 HydrophobicContact CG1-CD1 4.19Å; E499-L563 HydrophobicContact CB-CD1 4.1Å; Q559-L563 WeakPolarHBondContact O-CG 3.38Å; Q559-L563 PolarHBondContact O-N 2.85Å; M560-L563 PolarHBondContact O-N 3.21Å; T561-L563 PolarHBondContact O-N 3.43Å; L563-Y567 WeakPolarHBondContact O-CB 3.22Å; L563-Y567 PolarHBondContact O-N 2.97Å
564T93Very high92.7Very high6 Ų656.1 Ų56.14%0.03728%0.276CS..Hα-helixtrans-70.7-40.9179.4-55.70000111.4Y525 M560 T561 S562 Y567 A568Y525-T564 VanDerWaalsContact N-CG2 3.32Å; Y525-T564 PolarHBondContact O-OG1 3.28Å; M560-T564 VanDerWaalsContact O-CB 3.3Å; M560-T564 WeakPolarHBondContact O-CB 3.12Å; M560-T564 PolarHBondContact O-N 3.48Å; M560-T564 PolarHBondContact O-OG1 3.11Å; T561-T564 PolarHBondContact O-N 3.47Å; T561-T564 VanDerWaalsContact O-N 3.15Å; S562-T564 PolarHBondContact O-N 3.4Å; T564-Y567 PolarHBondContact O-N 3.07Å; T564-A568 WeakPolarHBondContact O-CB 3.31Å; T564-A568 PolarHBondContact O-N 3.39Å
565E93.1Very high92.5Very high113 Ų11357.8 Ų57.853%0.52829%0.288SS..Hα-helixtrans-62.9-50.9175.3-73.3170.6172.900110.5T561 S562 Y567 A568 E569T561-E565 HydrophobicContact CG2-CG 4.45Å; T561-E565 WeakPolarHBondContact CG2-OE1 3.36Å; T561-E565 WeakPolarHBondContact O-CG 3.34Å; T561-E565 PolarHBondContact O-N 2.97Å; S562-E565 PolarHBondContact O-N 2.96Å; E565-Y567 VanDerWaalsContact C-N 3.32Å; E565-Y567 PolarHBondContact O-N 3.01Å; E565-A568 WeakPolarHBondContact O-CB 3.32Å; E565-A568 PolarHBondContact O-N 2.97Å; E565-A568 VanDerWaalsContact O-N 3.11Å; E565-E569 WeakPolarHBondContact O-CG 3.28Å; E565-E569 PolarHBondContact O-N 3.23Å
566T93.9Very high92.4Very high59 Ų5959.5 Ų59.536%0.36231%0.305SS..Hα-helixtrans-61-40.1175.5-54.30000112L492 S562 A568 E569 V570L492-T566 HydrophobicContact CD1-CG2 4.06Å; L492-T566 HydrophobicContact CD2-CG2 4.14Å; S562-T566 WeakPolarHBondContact O-CB 3.11Å; S562-T566 PolarHBondContact O-N 3.18Å; S562-T566 PolarHBondContact O-OG1 2.83Å; T566-A568 VanDerWaalsContact C-N 3.34Å; T566-A568 PolarHBondContact O-N 2.83Å; T566-E569 PolarHBondContact O-N 2.94Å; T566-V570 HydrophobicContact CG2-CG2 4.28Å; T566-V570 WeakPolarHBondContact O-CB 3.45Å; T566-V570 VanDerWaalsContact O-CG2 3.26Å; T566-V570 WeakPolarHBondContact O-CG2 3.29Å; T566-V570 PolarHBondContact O-N 3.48Å
567Y93.8Very high92.2Very high23 Ų2360.9 Ų60.99%0.0931%0.314CS..Hα-helixtrans-62.7-41.4174.8-179.5-87.6000111.8L489 L492 E493 I496 Y525 L563 T564 E565 K571L489-Y567 HydrophobicContact CB-CE2 4.41Å; L489-Y567 HydrophobicContact CD2-CD2 3.78Å; L489-Y567 HydrophobicContact CD2-CE2 3.66Å; L489-Y567 HydrophobicContact CD2-CG 4.42Å; L492-Y567 HydrophobicContact CB-CD2 4.06Å; E493-Y567 HydrophobicContact CG-CD2 4.22Å; E493-Y567 HydrophobicContact CG-CE2 3.5Å; E493-Y567 VanDerWaalsContact CG-CE2 3.5Å; E493-Y567 PolarHBondContact OE1-OH 2.94Å; I496-Y567 HydrophobicContact CD1-CD2 4.36Å; I496-Y567 HydrophobicContact CD1-CG 4.33Å; Y525-Y567 HydrophobicContact CD2-CD1 4.1Å; Y525-Y567 HydrophobicContact CD2-CE1 4.3Å; Y525-Y567 HydrophobicContact CD2-CG 4.45Å; Y525-Y567 AromaticContact CE2-CD1 3.7Å; Y525-Y567 HydrophobicContact CE2-CD1 3.7Å; Y525-Y567 HydrophobicContact CE2-CD2 4.32Å; Y525-Y567 AromaticContact CE2-CE1 3.49Å; Y525-Y567 HydrophobicContact CE2-CE1 3.49Å; Y525-Y567 VanDerWaalsContact CE2-CE1 3.49Å; Y525-Y567 HydrophobicContact CE2-CE2 4.14Å; Y525-Y567 HydrophobicContact CE2-CG 4.1Å; Y525-Y567 AromaticContact CE2-CZ 3.71Å; L563-Y567 WeakPolarHBondContact O-CB 3.22Å; L563-Y567 PolarHBondContact O-N 2.97Å; T564-Y567 PolarHBondContact O-N 3.07Å; E565-Y567 VanDerWaalsContact C-N 3.32Å; E565-Y567 PolarHBondContact O-N 3.01Å; Y567-K571 HydrophobicContact CD1-CB 4.48Å; Y567-K571 HydrophobicContact CD1-CD 4.41Å; Y567-K571 HydrophobicContact CE1-CB 4.33Å; Y567-K571 HydrophobicContact CE1-CD 3.62Å; Y567-K571 WeakPolarHBondContact O-CB 3.47Å; Y567-K571 PolarHBondContact O-N 2.86Å
568A92.1Very high92.1Very high45 Ų4561.7 Ų61.737%0.37232%0.318SS..Hα-helixtrans-64.6-41.8177.800000111.8T564 E565 T566 K571 Q572T564-A568 WeakPolarHBondContact O-CB 3.31Å; T564-A568 PolarHBondContact O-N 3.39Å; E565-A568 WeakPolarHBondContact O-CB 3.32Å; E565-A568 PolarHBondContact O-N 2.97Å; E565-A568 VanDerWaalsContact O-N 3.11Å; T566-A568 VanDerWaalsContact C-N 3.34Å; T566-A568 PolarHBondContact O-N 2.83Å; A568-K571 PolarHBondContact O-N 3.33Å; A568-Q572 WeakPolarHBondContact O-CG 3.46Å; A568-Q572 PolarHBondContact O-N 2.9Å
569E93.2Very high91.8Very high127 Ų12759.6 Ų59.659%0.59331%0.311SS*.Hα-helixtrans-61.7-52.7175.2-71.1172.2176.300111.7E565 T566 K571 Q572 E573E565-E569 WeakPolarHBondContact O-CG 3.28Å; E565-E569 PolarHBondContact O-N 3.23Å; T566-E569 PolarHBondContact O-N 2.94Å; E569-K571 VanDerWaalsContact C-N 3.27Å; E569-K571 PolarHBondContact O-N 3.42Å; E569-Q572 WeakPolarHBondContact O-CB 3.18Å; E569-Q572 PolarHBondContact O-N 3.48Å; E569-Q572 VanDerWaalsContact O-N 3.17Å; E569-E573 PolarHBondContact O-N 3.42Å
570V92.9Very high91.6Very high18 Ų1859.1 Ų59.111%0.10931%0.314CS..Hα-helixtrans-64.5-34179.2179.10000111I485 K488 L489 L492 T566 E573 Y574I485-V570 HydrophobicContact CG2-CG1 3.73Å; K488-V570 HydrophobicContact CB-CG1 4.2Å; L489-V570 HydrophobicContact CD2-CB 3.99Å; L489-V570 HydrophobicContact CD2-CG1 3.69Å; L489-V570 HydrophobicContact CG-CG1 3.8Å; L492-V570 HydrophobicContact CD1-CB 4.25Å; L492-V570 HydrophobicContact CD1-CG2 4.02Å; T566-V570 HydrophobicContact CG2-CG2 4.28Å; T566-V570 WeakPolarHBondContact O-CB 3.45Å; T566-V570 VanDerWaalsContact O-CG2 3.26Å; T566-V570 WeakPolarHBondContact O-CG2 3.29Å; T566-V570 PolarHBondContact O-N 3.48Å; V570-E573 WeakPolarHBondContact O-CB 3.26Å; V570-E573 PolarHBondContact O-N 3.42Å; V570-Y574 WeakPolarHBondContact O-CB 3.36Å; V570-Y574 PolarHBondContact O-N 3.14Å
571K91.5Very high91.5Very high93 Ų9360 Ų6040%0.40432%0.32SS..Hα-helixtrans-69.6-36.5175.9-177.2170.1-179.7174.20112L489 Y567 A568 E569 Y574 N575L489-K571 HydrophobicContact CD2-CB 4.07Å; Y567-K571 HydrophobicContact CD1-CB 4.48Å; Y567-K571 HydrophobicContact CD1-CD 4.41Å; Y567-K571 HydrophobicContact CE1-CB 4.33Å; Y567-K571 HydrophobicContact CE1-CD 3.62Å; Y567-K571 WeakPolarHBondContact O-CB 3.47Å; Y567-K571 PolarHBondContact O-N 2.86Å; A568-K571 PolarHBondContact O-N 3.33Å; E569-K571 VanDerWaalsContact C-N 3.27Å; E569-K571 PolarHBondContact O-N 3.42Å; K571-Y574 PolarHBondContact O-N 3.42Å; K571-N575 WeakPolarHBondContact O-CB 3.45Å; K571-N575 PolarHBondContact O-N 3.05Å
572Q91.8Very high91.3Very high146 Ų14660.1 Ų60.168%0.68232%0.32SS*.Hα-helixtrans-64.3-42.2171.9-77.4179.4-0.800111.2A568 E569 N575 G576A568-Q572 WeakPolarHBondContact O-CG 3.46Å; A568-Q572 PolarHBondContact O-N 2.9Å; E569-Q572 WeakPolarHBondContact O-CB 3.18Å; E569-Q572 PolarHBondContact O-N 3.48Å; E569-Q572 VanDerWaalsContact O-N 3.17Å; Q572-N575 PolarHBondContact O-N 3.25Å; Q572-G576 PolarHBondContact O-N 3.5Å
573E91.5Very high91.1Very high103 Ų10362.2 Ų62.248%0.48132%0.324SS..Hα-helixtrans-60.4-47174.1-169.4-174.8176.700111.6I485 E569 V570 N575 G576 L577I485-E573 HydrophobicContact CD1-CG 3.98Å; E569-E573 PolarHBondContact O-N 3.42Å; V570-E573 WeakPolarHBondContact O-CB 3.26Å; V570-E573 PolarHBondContact O-N 3.42Å; E573-N575 PolarHBondContact O-N 3.15Å; E573-G576 PolarHBondContact O-N 3.28Å; E573-L577 HydrophobicContact CG-CD1 4.48Å; E573-L577 PolarHBondContact O-N 3.21Å
574Y91.1Very high90.7Very high9 Ų967.3 Ų67.34%0.03535%0.347CS..Hα-helixtrans-58.2-47.6175.8-174.7-98.4000112.1L482 I485 R486 L489 V570 K571 G576 L577 Q578L482-Y574 HydrophobicContact CD2-CD2 4.17Å; L482-Y574 HydrophobicContact CD2-CE2 4.09Å; I485-Y574 HydrophobicContact CB-CD2 4.29Å; I485-Y574 HydrophobicContact CG2-CD2 3.83Å; I485-Y574 HydrophobicContact CG2-CG 4.25Å; R486-Y574 HydrophobicContact CB-CE2 4.09Å; L489-Y574 HydrophobicContact CD1-CD1 4.28Å; L489-Y574 HydrophobicContact CD1-CD2 4.09Å; L489-Y574 HydrophobicContact CD1-CG 3.8Å; V570-Y574 WeakPolarHBondContact O-CB 3.36Å; V570-Y574 PolarHBondContact O-N 3.14Å; K571-Y574 PolarHBondContact O-N 3.42Å; Y574-G576 PolarHBondContact O-N 3.18Å; Y574-L577 PolarHBondContact O-N 2.73Å; Y574-Q578 VanDerWaalsContact O-CB 3.22Å; Y574-Q578 WeakPolarHBondContact O-CB 3.38Å; Y574-Q578 PolarHBondContact O-N 2.83Å
575N89.5Confident90.6Very high67 Ų6767.2 Ų67.236%0.35835%0.346SS..Hα-helixtrans-62.6-42178.6-72.8-11.3000111.6K571 Q572 E573 Q578 E579K571-N575 WeakPolarHBondContact O-CB 3.45Å; K571-N575 PolarHBondContact O-N 3.05Å; Q572-N575 PolarHBondContact O-N 3.25Å; E573-N575 PolarHBondContact O-N 3.15Å; N575-Q578 PolarHBondContact O-N 3.47Å; N575-E579 WeakPolarHBondContact O-CB 3.42Å; N575-E579 WeakPolarHBondContact O-CG 3.25Å; N575-E579 PolarHBondContact O-N 2.85Å
576G89.7Confident90.4Very high36 Ų3662 Ų6237%0.37132%0.322SS..Hα-helixtrans-62.9-43.1178.100000112.9Q572 E573 Y574 V580Q572-G576 PolarHBondContact O-N 3.5Å; E573-G576 PolarHBondContact O-N 3.28Å; Y574-G576 PolarHBondContact O-N 3.18Å; G576-V580 PolarHBondContact O-N 2.88Å
577L88.9Confident90.2Very high54 Ų5461.2 Ų61.228%0.28332%0.319SS..Hα-helixtrans-68.7-41.2174.8-72.3168.1000112L482 I485 E573 Y574 E579 V580 V581L482-L577 HydrophobicContact CD2-CB 3.6Å; I485-L577 HydrophobicContact CD1-CD1 3.16Å; E573-L577 HydrophobicContact CG-CD1 4.48Å; E573-L577 PolarHBondContact O-N 3.21Å; Y574-L577 PolarHBondContact O-N 2.73Å; L577-E579 VanDerWaalsContact C-N 3.32Å; L577-E579 PolarHBondContact O-N 3.17Å; L577-V580 WeakPolarHBondContact O-CB 3.27Å; L577-V580 PolarHBondContact O-N 3.39Å; L577-V581 PolarHBondContact O-N 2.94Å
578Q89.4Confident90Very high28 Ų2861.7 Ų61.713%0.13133%0.327CS..Hα-helixtrans-60.2-42.7176.1-175-178.2-73.600111.2V474 Y574 N575 V580 V581 V582V474-Q578 HydrophobicContact CB-CG 4.24Å; V474-Q578 HydrophobicContact CG2-CG 3.88Å; Y574-Q578 VanDerWaalsContact O-CB 3.22Å; Y574-Q578 WeakPolarHBondContact O-CB 3.38Å; Y574-Q578 PolarHBondContact O-N 2.83Å; N575-Q578 PolarHBondContact O-N 3.47Å; Q578-V580 PolarHBondContact O-N 3.41Å; Q578-V581 PolarHBondContact O-N 2.91Å; Q578-V581 VanDerWaalsContact O-N 3.12Å; Q578-V582 HydrophobicContact CG-CG2 4.01Å; Q578-V582 WeakPolarHBondContact O-CB 3.43Å; Q578-V582 VanDerWaalsContact O-CG2 3.23Å; Q578-V582 WeakPolarHBondContact O-CG2 2.92Å; Q578-V582 PolarHBondContact O-N 2.91Å
579E88Confident90Very high139 Ų13959.5 Ų59.565%0.6531%0.309SS*.Hα-helixtrans-56.1-38.5177-81.7178.8-17300112.3N575 L577 H583N575-E579 WeakPolarHBondContact O-CB 3.42Å; N575-E579 WeakPolarHBondContact O-CG 3.25Å; N575-E579 PolarHBondContact O-N 2.85Å; L577-E579 VanDerWaalsContact C-N 3.32Å; L577-E579 PolarHBondContact O-N 3.17Å; E579-H583 VanDerWaalsContact O-CB 3.31Å; E579-H583 WeakPolarHBondContact O-CB 3.34Å; E579-H583 PolarHBondContact O-N 3.25Å
580V88.1Confident89.7Confident82 Ų8254.4 Ų54.450%0.49729%0.289SS..Hα-helixtrans-63.5-46.5175.9177.70000111G576 L577 Q578 H583 Q584G576-V580 PolarHBondContact O-N 2.88Å; L577-V580 WeakPolarHBondContact O-CB 3.27Å; L577-V580 PolarHBondContact O-N 3.39Å; Q578-V580 PolarHBondContact O-N 3.41Å; V580-H583 PolarHBondContact O-N 2.88Å; V580-Q584 WeakPolarHBondContact O-CG 3.44Å; V580-Q584 PolarHBondContact O-N 3.31Å; V580-Q584 VanDerWaalsContact O-N 3.08Å
581V88.2Confident89.5Confident19 Ų1958.5 Ų58.512%0.11531%0.314CS..Hα-helixtrans-69.1-41.8179.5-175.80000111.2V474 L482 L577 Q578 H583 Q584 V585V474-V581 HydrophobicContact CG1-CB 4.23Å; V474-V581 HydrophobicContact CG1-CG1 3.61Å; V474-V581 HydrophobicContact CG2-CB 4.34Å; V474-V581 HydrophobicContact CG2-CG1 4.21Å; L482-V581 HydrophobicContact CD1-CG2 3.96Å; L577-V581 PolarHBondContact O-N 2.94Å; Q578-V581 PolarHBondContact O-N 2.91Å; Q578-V581 VanDerWaalsContact O-N 3.12Å; V581-H583 VanDerWaalsContact C-N 3.28Å; V581-H583 PolarHBondContact O-N 2.91Å; V581-Q584 WeakPolarHBondContact O-CB 3.36Å; V581-Q584 PolarHBondContact O-N 3.44Å; V581-Q584 VanDerWaalsContact O-N 3.11Å; V581-V585 HydrophobicContact CG1-CG2 4.35Å; V581-V585 WeakPolarHBondContact O-CG2 3.47Å; V581-V585 PolarHBondContact O-N 3.32Å
582V89.6Confident89.4Confident27 Ų2756 Ų5616%0.16430%0.302CS..Hα-helixtrans-55.6-46.6173.7170.10000110.4L404 V474 Q578 Q584 V585 V586L404-V582 HydrophobicContact CD1-CG2 3.78Å; L404-V582 HydrophobicContact CD2-CG1 4.22Å; L404-V582 HydrophobicContact CD2-CG2 4.26Å; L404-V582 HydrophobicContact CG-CB 4.46Å; L404-V582 HydrophobicContact CG-CG1 4.02Å; L404-V582 HydrophobicContact CG-CG2 3.86Å; V474-V582 HydrophobicContact CG2-CG2 3.64Å; Q578-V582 HydrophobicContact CG-CG2 4.01Å; Q578-V582 WeakPolarHBondContact O-CB 3.43Å; Q578-V582 VanDerWaalsContact O-CG2 3.23Å; Q578-V582 WeakPolarHBondContact O-CG2 2.92Å; Q578-V582 PolarHBondContact O-N 2.91Å; V582-Q584 VanDerWaalsContact C-N 3.33Å; V582-Q584 PolarHBondContact O-N 3.29Å; V582-V585 PolarHBondContact O-N 2.94Å; V582-V586 HydrophobicContact CG1-CG2 4.3Å; V582-V586 WeakPolarHBondContact O-CB 3.43Å; V582-V586 VanDerWaalsContact O-CG2 3.29Å; V582-V586 WeakPolarHBondContact O-CG2 3.47Å; V582-V586 PolarHBondContact O-N 3.13Å
583H88.3Confident89.1Confident100 Ų10050.3 Ų50.346%0.46328%0.276SS..Hα-helixtrans-59.7-43.5177.3179.5-86.8000111.7E579 V580 V581 V586 C587E579-H583 VanDerWaalsContact O-CB 3.31Å; E579-H583 WeakPolarHBondContact O-CB 3.34Å; E579-H583 PolarHBondContact O-N 3.25Å; V580-H583 PolarHBondContact O-N 2.88Å; V581-H583 VanDerWaalsContact C-N 3.28Å; V581-H583 PolarHBondContact O-N 2.91Å; H583-V586 PolarHBondContact O-N 2.89Å; H583-C587 PolarHBondContact CE1-SG 2.95Å; H583-C587 WeakPolarHBondContact O-CB 3.39Å; H583-C587 PolarHBondContact O-N 2.87Å; H583-C587 PolarHBondContact O-SG 3.24Å
584Q88.2Confident88.8Confident120 Ų12049.1 Ų49.156%0.56127%0.271SS*.Hα-helixtrans-62.2-44.8176.3-69.6174.20.200112.3V580 V581 V582 C587 A588V580-Q584 WeakPolarHBondContact O-CG 3.44Å; V580-Q584 PolarHBondContact O-N 3.31Å; V580-Q584 VanDerWaalsContact O-N 3.08Å; V581-Q584 WeakPolarHBondContact O-CB 3.36Å; V581-Q584 PolarHBondContact O-N 3.44Å; V581-Q584 VanDerWaalsContact O-N 3.11Å; V582-Q584 VanDerWaalsContact C-N 3.33Å; V582-Q584 PolarHBondContact O-N 3.29Å; Q584-C587 PolarHBondContact O-N 2.84Å; Q584-A588 WeakPolarHBondContact O-CB 3.4Å; Q584-A588 PolarHBondContact O-N 3.48Å
585V90.1Very high88.8Confident4 Ų449.9 Ų49.92%0.02428%0.277CS..Hα-helixtrans-62.2-44.1177.71730000111L404 L456 N460 V581 V582 A588 A589L404-V585 HydrophobicContact CD2-CB 4.24Å; L404-V585 HydrophobicContact CD2-CG1 3.87Å; L456-V585 HydrophobicContact CD2-CG1 4.03Å; N460-V585 HydrophobicContact CB-CG2 3.69Å; V581-V585 HydrophobicContact CG1-CG2 4.35Å; V581-V585 WeakPolarHBondContact O-CG2 3.47Å; V581-V585 PolarHBondContact O-N 3.32Å; V582-V585 PolarHBondContact O-N 2.94Å; V585-A588 PolarHBondContact O-N 3.31Å; V585-A589 WeakPolarHBondContact O-CB 3.34Å; V585-A589 PolarHBondContact O-N 3.16Å
586V89.8Confident88.9Confident3 Ų346.7 Ų46.72%0.01826%0.26CS..Hα-helixtrans-63.3-45.9176.7166.70000111.1I399 S402 V407 V582 H583 A588 A589 A590I399-V586 HydrophobicContact CG2-CG1 4.37Å; S402-V586 WeakPolarHBondContact OG-CG1 3.27Å; V407-V586 HydrophobicContact CG2-CG2 4.32Å; V582-V586 HydrophobicContact CG1-CG2 4.3Å; V582-V586 WeakPolarHBondContact O-CB 3.43Å; V582-V586 VanDerWaalsContact O-CG2 3.29Å; V582-V586 WeakPolarHBondContact O-CG2 3.47Å; V582-V586 PolarHBondContact O-N 3.13Å; H583-V586 PolarHBondContact O-N 2.89Å; V586-A588 VanDerWaalsContact C-N 3.31Å; V586-A588 PolarHBondContact O-N 2.79Å; V586-A589 PolarHBondContact O-N 3.05Å; V586-A590 WeakPolarHBondContact O-CB 3.28Å; V586-A590 PolarHBondContact O-N 2.98Å
587C88.2Confident88.9Confident43 Ų4346 Ų4629%0.29125%0.248SC..Hα-helixtrans-60.2-42176.5-75.70000111.8H583 Q584 A590H583-C587 PolarHBondContact CE1-SG 2.95Å; H583-C587 WeakPolarHBondContact O-CB 3.39Å; H583-C587 PolarHBondContact O-N 2.87Å; H583-C587 PolarHBondContact O-SG 3.24Å; Q584-C587 PolarHBondContact O-N 2.84Å; C587-A590 PolarHBondContact O-N 3.02Å
588A90.6Very high89Confident32 Ų3246.5 Ų46.526%0.26425%0.248SC..Hα-helixtrans-66.6-42.5175.900000111.6L456 Q584 V585 V586 A590 T591 Y592L456-A588 HydrophobicContact CD1-CB 3.5Å; L456-A588 VanDerWaalsContact CD1-CB 3.5Å; Q584-A588 WeakPolarHBondContact O-CB 3.4Å; Q584-A588 PolarHBondContact O-N 3.48Å; V585-A588 PolarHBondContact O-N 3.31Å; V586-A588 VanDerWaalsContact C-N 3.31Å; V586-A588 PolarHBondContact O-N 2.79Å; A588-A590 VanDerWaalsContact C-N 3.28Å; A588-A590 PolarHBondContact O-N 2.94Å; A588-T591 WeakPolarHBondContact O-CB 3.41Å; A588-T591 PolarHBondContact O-N 3.25Å; A588-T591 VanDerWaalsContact O-N 3.09Å; A588-T591 PolarHBondContact O-OG1 2.92Å; A588-Y592 WeakPolarHBondContact O-CD2 3.36Å
589A91.3Very high89.2Confident0 Ų045.1 Ų45.10%024%0.242CC..Hα-helixtrans-60.4-36.4173.500000112.4L396 V407 F453 V585 V586 T591 Y592L396-A589 HydrophobicContact CD2-CB 4.45Å; V407-A589 HydrophobicContact CG1-CB 4.1Å; V407-A589 HydrophobicContact CG2-CB 3.84Å; F453-A589 HydrophobicContact CE2-CB 3.88Å; V585-A589 WeakPolarHBondContact O-CB 3.34Å; V585-A589 PolarHBondContact O-N 3.16Å; V586-A589 PolarHBondContact O-N 3.05Å; A589-T591 PolarHBondContact O-N 3.44Å; A589-Y592 WeakPolarHBondContact O-CB 3.42Å; A589-Y592 PolarHBondContact O-N 2.95Å
590A87Confident89.5Confident20 Ų2039.2 Ų39.217%0.16522%0.215CC..Hα-helixtrans-64.8-16.7176.200000113.3V586 C587 A588 Y592 L593V586-A590 WeakPolarHBondContact O-CB 3.28Å; V586-A590 PolarHBondContact O-N 2.98Å; C587-A590 PolarHBondContact O-N 3.02Å; A588-A590 VanDerWaalsContact C-N 3.28Å; A588-A590 PolarHBondContact O-N 2.94Å; A590-Y592 PolarHBondContact O-N 2.88Å; A590-L593 VanDerWaalsContact O-CD1 3.31Å; A590-L593 WeakPolarHBondContact O-CD1 3.34Å; A590-L593 WeakPolarHBondContact O-CG 3.48Å
591T88.1Confident89.7Confident104 Ų10441.5 Ų41.564%0.63822%0.22SC*.THydrogen-bonded Turntrans-71.3-16.817269.40000113.3A588 A589 L593A588-T591 WeakPolarHBondContact O-CB 3.41Å; A588-T591 PolarHBondContact O-N 3.25Å; A588-T591 VanDerWaalsContact O-N 3.09Å; A588-T591 PolarHBondContact O-OG1 2.92Å; A589-T591 PolarHBondContact O-N 3.44Å; T591-L593 VanDerWaalsContact C-N 3.34Å
592Y90Very high90.1Very high39 Ų3941.7 Ų41.715%0.15322%0.221CC..THydrogen-bonded Turntrans-9213.9179.2-67.2-94.9000113.4F450 L452 F453 A588 A589 A590 E594 P595 I596F450-Y592 HydrophobicContact CD1-CD1 4.41Å; L452-Y592 WeakPolarHBondContact CB-OH 3.21Å; F453-Y592 HydrophobicContact CB-CD1 3.95Å; F453-Y592 HydrophobicContact CB-CD2 4.4Å; F453-Y592 HydrophobicContact CB-CE1 3.79Å; F453-Y592 HydrophobicContact CB-CE2 4.26Å; F453-Y592 HydrophobicContact CB-CG 4.25Å; F453-Y592 HydrophobicContact CD2-CD1 4.42Å; F453-Y592 AromaticContact CD2-CD2 3.74Å; F453-Y592 HydrophobicContact CD2-CD2 3.74Å; F453-Y592 HydrophobicContact CD2-CE2 4.17Å; F453-Y592 AromaticContact CD2-CG 3.87Å; F453-Y592 HydrophobicContact CD2-CG 3.87Å; F453-Y592 HydrophobicContact CG-CG 4.45Å; A588-Y592 WeakPolarHBondContact O-CD2 3.36Å; A589-Y592 WeakPolarHBondContact O-CB 3.42Å; A589-Y592 PolarHBondContact O-N 2.95Å; A590-Y592 PolarHBondContact O-N 2.88Å; Y592-E594 VanDerWaalsContact C-N 3.26Å; Y592-E594 PolarHBondContact O-N 2.82Å; Y592-P595 HydrophobicContact CD1-CG 4.47Å; Y592-P595 VanDerWaalsContact O-CD 3.31Å; Y592-P595 WeakPolarHBondContact O-CD 3.46Å; Y592-I596 WeakPolarHBondContact O-CD1 3.37Å; Y592-I596 WeakPolarHBondContact O-CG1 3.41Å; Y592-I596 PolarHBondContact O-N 2.9Å
593L86.1Confident90.4Very high27 Ų2740.4 Ų40.414%0.14121%0.213CC..Hα-helixtrans-56.8-38.6-178.7-76.9170.3000113.3G393 K397 A590 T591 I596 N597G393-L593 WeakPolarHBondContact O-CD2 3.37Å; K397-L593 HydrophobicContact CB-CD1 4.03Å; K397-L593 HydrophobicContact CD-CD1 4Å; K397-L593 HydrophobicContact CG-CD1 3.94Å; A590-L593 VanDerWaalsContact O-CD1 3.31Å; A590-L593 WeakPolarHBondContact O-CD1 3.34Å; A590-L593 WeakPolarHBondContact O-CG 3.48Å; T591-L593 VanDerWaalsContact C-N 3.34Å; L593-I596 PolarHBondContact O-N 3.21Å; L593-N597 VanDerWaalsContact O-CG 3.24Å; L593-N597 PolarHBondContact O-N 3.42Å; L593-N597 PolarHBondContact O-ND2 3.43Å
594E84.8Confident90.7Very high79 Ų7935.9 Ų35.937%0.36919%0.193SC..Hα-helixtrans-65.6-53.6179.6-179.760.4-147.200111.8R248 Y592 I596 N597 Q598R248-E594 IonicContact CZ-OE2 3.67Å; R248-E594 IonicContact NE-OE2 2.69Å; R248-E594 IonicContact NH1-OE2 3.85Å; R248-E594 PolarHBondContact NH1-OE2 2.93Å; Y592-E594 VanDerWaalsContact C-N 3.26Å; Y592-E594 PolarHBondContact O-N 2.82Å; E594-I596 PolarHBondContact O-N 3.33Å; E594-N597 PolarHBondContact O-N 3.34Å; E594-N597 VanDerWaalsContact O-N 3.08Å; E594-Q598 PolarHBondContact O-N 3.31Å; E594-Q598 PolarHBondContact OE1-NE2 3.47Å
595P91.4Very high91.1Very high24 Ų2432 Ų3216%0.15618%0.175CC..Hα-helixtrans-52.7-36.8168.8-29.533.2000114.6F450 Y592 L599F450-P595 HydrophobicContact CE1-CB 4.04Å; F450-P595 HydrophobicContact CE2-CB 3.95Å; F450-P595 HydrophobicContact CZ-CB 3.62Å; Y592-P595 HydrophobicContact CD1-CG 4.47Å; Y592-P595 VanDerWaalsContact O-CD 3.31Å; Y592-P595 WeakPolarHBondContact O-CD 3.46Å; P595-L599 WeakPolarHBondContact O-CB 3.46Å; P595-L599 PolarHBondContact O-N 3.45Å
596I92.3Very high91.5Very high0 Ų031.8 Ų31.80%017%0.173CC..Hα-helixtrans-65.5-41.7177.6-68164.9000111L389 L396 I410 F450 Y592 L593 E594 L599 N600L389-I596 HydrophobicContact CB-CG2 4.19Å; L396-I596 HydrophobicContact CD1-CD1 4.02Å; I410-I596 HydrophobicContact CD1-CD1 3.87Å; I410-I596 HydrophobicContact CG2-CD1 4.29Å; I410-I596 HydrophobicContact CG2-CG1 4.26Å; F450-I596 HydrophobicContact CE1-CG1 3.82Å; F450-I596 HydrophobicContact CZ-CB 4.45Å; F450-I596 HydrophobicContact CZ-CG1 3.74Å; Y592-I596 WeakPolarHBondContact O-CD1 3.37Å; Y592-I596 WeakPolarHBondContact O-CG1 3.41Å; Y592-I596 PolarHBondContact O-N 2.9Å; L593-I596 PolarHBondContact O-N 3.21Å; E594-I596 PolarHBondContact O-N 3.33Å; I596-L599 PolarHBondContact O-N 2.94Å; I596-N600 WeakPolarHBondContact O-CB 3.09Å; I596-N600 PolarHBondContact O-N 3.24Å
597N88.5Confident91.9Very high23 Ų2331.6 Ų31.612%0.12317%0.173CC..Hα-helixtrans-66.6-43.6177.5-68.3-30.4000111.5R248 L593 E594 L599 N600 E601R248-N597 PolarHBondContact NH1-ND2 3.34Å; R248-N597 VanDerWaalsContact NH1-ND2 3.14Å; R248-N597 PolarHBondContact NH2-ND2 2.84Å; L593-N597 VanDerWaalsContact O-CG 3.24Å; L593-N597 PolarHBondContact O-N 3.42Å; L593-N597 PolarHBondContact O-ND2 3.43Å; E594-N597 PolarHBondContact O-N 3.34Å; E594-N597 VanDerWaalsContact O-N 3.08Å; N597-L599 VanDerWaalsContact C-N 3.31Å; N597-L599 PolarHBondContact O-N 2.99Å; N597-N600 WeakPolarHBondContact O-CA 3.48Å; N597-N600 VanDerWaalsContact O-CB 3.3Å; N597-N600 WeakPolarHBondContact O-CB 3.32Å; N597-N600 PolarHBondContact O-N 2.95Å; N597-N600 VanDerWaalsContact O-N 3.1Å; N597-E601 PolarHBondContact O-N 3.21Å
598Q90.9Very high92.3Very high63 Ų6329.6 Ų29.629%0.29416%0.159SC..Hα-helixtrans-61.8-40.1175.8-67.41777.800111.8E594 E601 T602E594-Q598 PolarHBondContact O-N 3.31Å; E594-Q598 PolarHBondContact OE1-NE2 3.47Å; Q598-E601 PolarHBondContact O-N 2.88Å; Q598-T602 WeakPolarHBondContact O-CB 3.44Å; Q598-T602 PolarHBondContact O-N 3.39Å; Q598-T602 PolarHBondContact O-OG1 2.99Å
599L94.6Very high92.7Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-66.6-38174-179.262.6000111.8L389 L417 L443 A446 F450 P595 I596 N597 T602 T603L389-L599 HydrophobicContact CD1-CB 4.22Å; L389-L599 HydrophobicContact CD1-CD2 3.76Å; L389-L599 HydrophobicContact CD1-CG 3.65Å; L417-L599 HydrophobicContact CD1-CD1 4.02Å; L417-L599 HydrophobicContact CD1-CD2 4.19Å; L417-L599 HydrophobicContact CD2-CD1 3.57Å; L417-L599 HydrophobicContact CD2-CD2 4.38Å; L417-L599 HydrophobicContact CG-CD1 4.45Å; L443-L599 HydrophobicContact CD2-CD1 4.36Å; A446-L599 HydrophobicContact CB-CD1 4.12Å; F450-L599 HydrophobicContact CE2-CB 4.12Å; F450-L599 HydrophobicContact CE2-CD2 3.83Å; F450-L599 HydrophobicContact CZ-CD2 4.33Å; P595-L599 WeakPolarHBondContact O-CB 3.46Å; P595-L599 PolarHBondContact O-N 3.45Å; I596-L599 PolarHBondContact O-N 2.94Å; N597-L599 VanDerWaalsContact C-N 3.31Å; N597-L599 PolarHBondContact O-N 2.99Å; L599-T602 PolarHBondContact O-N 3.17Å; L599-T603 HydrophobicContact CD1-CG2 3.76Å; L599-T603 HydrophobicContact CG-CG2 4.19Å; L599-T603 WeakPolarHBondContact O-CB 3.04Å; L599-T603 VanDerWaalsContact O-CG2 3.3Å; L599-T603 WeakPolarHBondContact O-CG2 3.23Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 3.36Å
600N93.4Very high93Very high14 Ų1428 Ų288%0.07515%0.146CC..Hα-helixtrans-59.4-47.5174.6178.977.7000111.4Q339 L389 Q390 I596 N597 T603 A604Q339-N600 VanDerWaalsContact CB-OD1 3.3Å; Q339-N600 WeakPolarHBondContact CB-OD1 3.49Å; Q339-N600 WeakPolarHBondContact CG-OD1 3.43Å; L389-N600 HydrophobicContact CB-CB 3.9Å; L389-N600 HydrophobicContact CD1-CB 4.45Å; Q390-N600 PolarHBondContact N-OD1 3.07Å; I596-N600 WeakPolarHBondContact O-CB 3.09Å; I596-N600 PolarHBondContact O-N 3.24Å; N597-N600 WeakPolarHBondContact O-CA 3.48Å; N597-N600 VanDerWaalsContact O-CB 3.3Å; N597-N600 WeakPolarHBondContact O-CB 3.32Å; N597-N600 PolarHBondContact O-N 2.95Å; N597-N600 VanDerWaalsContact O-N 3.1Å; N600-T603 PolarHBondContact O-OG1 3.4Å; N600-A604 WeakPolarHBondContact O-CB 3.38Å; N600-A604 PolarHBondContact O-N 3.43Å
601E92.8Very high93.5Very high131 Ų13127.1 Ų27.161%0.61214%0.138SC*.Hα-helixtrans-63.2-47.1177.6-70.4175.1-17500112N597 Q598 T603 A604 F605N597-E601 PolarHBondContact O-N 3.21Å; Q598-E601 PolarHBondContact O-N 2.88Å; E601-T603 PolarHBondContact O-N 3.46Å; E601-A604 PolarHBondContact O-N 2.9Å; E601-F605 WeakPolarHBondContact O-CB 3.28Å; E601-F605 PolarHBondContact O-N 3.29Å
602T95.4Very high93.9Very high22 Ų2222.1 Ų22.114%0.13511%0.108CC..Hα-helixtrans-63.5-43.6-179.9-540000111.7P442 L443 Q598 L599 F605 L606P442-T602 HydrophobicContact CB-CG2 3.83Å; L443-T602 HydrophobicContact CD2-CG2 3.65Å; L443-T602 HydrophobicContact CG-CG2 3.78Å; Q598-T602 WeakPolarHBondContact O-CB 3.44Å; Q598-T602 PolarHBondContact O-N 3.39Å; Q598-T602 PolarHBondContact O-OG1 2.99Å; L599-T602 PolarHBondContact O-N 3.17Å; T602-F605 PolarHBondContact O-N 3.28Å; T602-L606 WeakPolarHBondContact O-CB 3.46Å; T602-L606 PolarHBondContact O-N 3.13Å
603T96.1Very high94.3Very high0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-70.9-36.217854.10000112.3Q339 F382 L599 N600 E601 D607Q339-T603 PolarHBondContact NE2-OG1 2.96Å; F382-T603 HydrophobicContact CZ-CG2 4.47Å; L599-T603 HydrophobicContact CD1-CG2 3.76Å; L599-T603 HydrophobicContact CG-CG2 4.19Å; L599-T603 WeakPolarHBondContact O-CB 3.04Å; L599-T603 VanDerWaalsContact O-CG2 3.3Å; L599-T603 WeakPolarHBondContact O-CG2 3.23Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 3.36Å; N600-T603 PolarHBondContact O-OG1 3.4Å; E601-T603 PolarHBondContact O-N 3.46Å; T603-D607 WeakPolarHBondContact O-CB 3.36Å; T603-D607 PolarHBondContact O-N 2.86Å
604A95.8Very high94.8Very high5 Ų520.1 Ų20.14%0.04110%0.1CC..Hα-helixtrans-61.5-47.6172.400000111.1Q339 L343 N600 E601 D607 V608Q339-A604 HydrophobicContact CB-CB 3.87Å; Q339-A604 HydrophobicContact CG-CB 3.7Å; L343-A604 HydrophobicContact CB-CB 4.27Å; L343-A604 HydrophobicContact CD2-CB 3.88Å; N600-A604 WeakPolarHBondContact O-CB 3.38Å; N600-A604 PolarHBondContact O-N 3.43Å; E601-A604 PolarHBondContact O-N 2.9Å; A604-D607 PolarHBondContact O-N 3Å; A604-V608 WeakPolarHBondContact O-CG2 3.16Å; A604-V608 PolarHBondContact O-N 3.06Å
605F97.1Very high95.2Very high38 Ų3816.7 Ų16.717%0.1679%0.085CC..Hα-helixtrans-57.9-50.9177.6-178.8-105.5000111.2L343 W347 L364 C438 L439 E601 T602 D607 V608 I609L343-F605 HydrophobicContact CD2-CB 4.34Å; W347-F605 AromaticContact CH2-CD2 3.87Å; W347-F605 HydrophobicContact CH2-CD2 3.87Å; W347-F605 AromaticContact CH2-CE2 3.78Å; W347-F605 HydrophobicContact CH2-CE2 3.78Å; W347-F605 AromaticContact CZ2-CD2 3.66Å; W347-F605 HydrophobicContact CZ2-CD2 3.66Å; W347-F605 AromaticContact CZ2-CE2 3.83Å; W347-F605 HydrophobicContact CZ2-CE2 3.83Å; L364-F605 HydrophobicContact CD1-CE1 3.48Å; L364-F605 VanDerWaalsContact CD1-CE1 3.48Å; L364-F605 HydrophobicContact CD1-CZ 3.42Å; L364-F605 VanDerWaalsContact CD1-CZ 3.42Å; C438-F605 HydrophobicContact CB-CE1 4.3Å; L439-F605 HydrophobicContact CD2-CD1 3.51Å; L439-F605 HydrophobicContact CD2-CE1 3.63Å; E601-F605 WeakPolarHBondContact O-CB 3.28Å; E601-F605 PolarHBondContact O-N 3.29Å; T602-F605 PolarHBondContact O-N 3.28Å; F605-D607 PolarHBondContact O-N 2.81Å; F605-V608 PolarHBondContact O-N 2.93Å; F605-I609 HydrophobicContact CE1-CG1 4.26Å; F605-I609 HydrophobicContact CE2-CD1 4.37Å; F605-I609 HydrophobicContact CE2-CG1 4.45Å; F605-I609 HydrophobicContact CZ-CD1 4.3Å; F605-I609 HydrophobicContact CZ-CG1 4.21Å; F605-I609 WeakPolarHBondContact O-CG1 3.46Å; F605-I609 PolarHBondContact O-N 2.84Å; F605-I609 VanDerWaalsContact O-N 3.08Å
606L97.5Very high95.4Very high0 Ų015.6 Ų15.60%08%0.078CC..Hα-helixtrans-57.7-45.4176.4-18064.1000112.6F368 L378 F382 L383 L439 L443 T602 V608 I609 V610F368-L606 HydrophobicContact CE2-CD1 4.18Å; F368-L606 HydrophobicContact CZ-CD1 3.88Å; L378-L606 HydrophobicContact CD1-CD1 4.24Å; L378-L606 HydrophobicContact CD2-CD2 4.35Å; F382-L606 HydrophobicContact CD1-CD2 4.27Å; F382-L606 HydrophobicContact CE1-CD2 3.94Å; L383-L606 HydrophobicContact CD2-CD2 4.35Å; L383-L606 HydrophobicContact CD2-CG 4.47Å; L439-L606 HydrophobicContact CD1-CD1 3.91Å; L439-L606 HydrophobicContact CD2-CB 4.37Å; L439-L606 HydrophobicContact CD2-CD1 4.09Å; L443-L606 HydrophobicContact CD1-CD2 4.41Å; T602-L606 WeakPolarHBondContact O-CB 3.46Å; T602-L606 PolarHBondContact O-N 3.13Å; L606-V608 VanDerWaalsContact C-N 3.34Å; L606-V608 PolarHBondContact O-N 2.59Å; L606-I609 PolarHBondContact O-N 2.7Å; L606-V610 HydrophobicContact CD1-CG2 4.15Å; L606-V610 HydrophobicContact CG-CG2 4.44Å; L606-V610 WeakPolarHBondContact O-CB 3.39Å; L606-V610 VanDerWaalsContact O-CG2 3.31Å; L606-V610 WeakPolarHBondContact O-CG2 3.35Å; L606-V610 PolarHBondContact O-N 2.79Å
607D97.8Very high95.5Very high0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-61.8-41.5-179.8-165.321.1000111.8C335 R336 T337 L383 T603 A604 F605 S611C335-D607 WeakPolarHBondContact CA-OD1 3.34Å; C335-D607 WeakPolarHBondContact CB-OD2 3.39Å; R336-D607 PolarHBondContact N-OD1 3.01Å; R336-D607 PolarHBondContact N-OD2 3.42Å; T337-D607 WeakPolarHBondContact CA-OD2 3.15Å; T337-D607 VanDerWaalsContact CB-OD2 3.29Å; T337-D607 WeakPolarHBondContact CB-OD2 3.35Å; T337-D607 PolarHBondContact N-OD2 2.9Å; T337-D607 PolarHBondContact OG1-OD2 3.37Å; L383-D607 HydrophobicContact CD1-CB 4.17Å; L383-D607 HydrophobicContact CD2-CB 3.89Å; T603-D607 WeakPolarHBondContact O-CB 3.36Å; T603-D607 PolarHBondContact O-N 2.86Å; A604-D607 PolarHBondContact O-N 3Å; F605-D607 PolarHBondContact O-N 2.81Å; D607-S611 WeakPolarHBondContact O-CB 3.17Å; D607-S611 PolarHBondContact O-N 2.62Å
608V97.8Very high95.5Very high0 Ų020.5 Ų20.50%011%0.109CC..Hα-helixtrans-64.9-47.1176.8177.60000111.3G340 L343 L344 W347 A604 F605 L606 V610 S611 L612G340-V608 WeakPolarHBondContact O-CG2 3.44Å; L343-V608 HydrophobicContact CB-CG2 3.87Å; L343-V608 HydrophobicContact CD2-CG2 3.95Å; L343-V608 HydrophobicContact CG-CG2 4.01Å; L344-V608 HydrophobicContact CB-CG1 4.23Å; L344-V608 HydrophobicContact CB-CG2 3.98Å; L344-V608 HydrophobicContact CD1-CG1 4.09Å; W347-V608 HydrophobicContact CD2-CG1 4.14Å; W347-V608 HydrophobicContact CE3-CG1 3.5Å; W347-V608 HydrophobicContact CH2-CB 4.28Å; W347-V608 HydrophobicContact CH2-CG1 3.86Å; W347-V608 HydrophobicContact CZ2-CG1 4.45Å; W347-V608 HydrophobicContact CZ3-CB 4.24Å; W347-V608 HydrophobicContact CZ3-CG1 3.35Å; A604-V608 WeakPolarHBondContact O-CG2 3.16Å; A604-V608 PolarHBondContact O-N 3.06Å; F605-V608 PolarHBondContact O-N 2.93Å; L606-V608 VanDerWaalsContact C-N 3.34Å; L606-V608 PolarHBondContact O-N 2.59Å; V608-V610 PolarHBondContact O-N 2.82Å; V608-S611 WeakPolarHBondContact O-CB 3.48Å; V608-S611 PolarHBondContact O-N 3.26Å; V608-L612 HydrophobicContact CG1-CD1 4.23Å; V608-L612 HydrophobicContact CG1-CG 4.34Å; V608-L612 WeakPolarHBondContact O-CG 3.44Å; V608-L612 PolarHBondContact O-N 3.32Å
609I97.9Very high94.9Very high0 Ų018.2 Ų18.20%010%0.099CC..Hα-helixtrans-60.6-47.2178.6-60.5-59.6000110.6W347 R361 L364 V365 F368 F605 L606 S611 L612 A613W347-I609 HydrophobicContact CH2-CD1 3.75Å; W347-I609 HydrophobicContact CH2-CG1 4.47Å; W347-I609 HydrophobicContact CZ3-CD1 3.97Å; R361-I609 HydrophobicContact CB-CD1 4.43Å; R361-I609 HydrophobicContact CG-CD1 4.49Å; L364-I609 HydrophobicContact CB-CD1 4.32Å; L364-I609 HydrophobicContact CB-CG1 4.33Å; L364-I609 HydrophobicContact CB-CG2 3.7Å; L364-I609 HydrophobicContact CD1-CD1 4.47Å; L364-I609 HydrophobicContact CD1-CG1 4.41Å; V365-I609 HydrophobicContact CG2-CD1 4.21Å; V365-I609 HydrophobicContact CG2-CG2 3.94Å; F368-I609 HydrophobicContact CD2-CG2 3.51Å; F368-I609 HydrophobicContact CE2-CB 4.45Å; F368-I609 HydrophobicContact CE2-CG2 3.7Å; F605-I609 HydrophobicContact CE1-CG1 4.26Å; F605-I609 HydrophobicContact CE2-CD1 4.37Å; F605-I609 HydrophobicContact CE2-CG1 4.45Å; F605-I609 HydrophobicContact CZ-CD1 4.3Å; F605-I609 HydrophobicContact CZ-CG1 4.21Å; F605-I609 WeakPolarHBondContact O-CG1 3.46Å; F605-I609 PolarHBondContact O-N 2.84Å; F605-I609 VanDerWaalsContact O-N 3.08Å; L606-I609 PolarHBondContact O-N 2.7Å; I609-S611 VanDerWaalsContact C-N 3.28Å; I609-S611 PolarHBondContact O-N 2.69Å; I609-L612 PolarHBondContact O-N 2.96Å; I609-A613 PolarHBondContact O-N 3.32Å
610V97.6Very high93.7Very high0 Ų021.8 Ų21.80%013%0.125CC..Hα-helixtrans-60.6-40.5177.11710000110.7F368 R375 L378 H379 L383 L606 V608 A613 I614F368-V610 HydrophobicContact CD2-CG2 4.33Å; F368-V610 HydrophobicContact CE2-CG2 4.34Å; F368-V610 HydrophobicContact CG-CG2 4.49Å; R375-V610 HydrophobicContact CG-CG1 4.33Å; L378-V610 HydrophobicContact CB-CG2 4.26Å; L378-V610 HydrophobicContact CD1-CG2 4.11Å; H379-V610 HydrophobicContact CB-CG1 3.99Å; L383-V610 HydrophobicContact CD1-CB 4.08Å; L383-V610 HydrophobicContact CD1-CG1 4.14Å; L383-V610 HydrophobicContact CD1-CG2 4.19Å; L606-V610 HydrophobicContact CD1-CG2 4.15Å; L606-V610 HydrophobicContact CG-CG2 4.44Å; L606-V610 WeakPolarHBondContact O-CB 3.39Å; L606-V610 VanDerWaalsContact O-CG2 3.31Å; L606-V610 WeakPolarHBondContact O-CG2 3.35Å; L606-V610 PolarHBondContact O-N 2.79Å; V608-V610 PolarHBondContact O-N 2.82Å; V610-A613 PolarHBondContact O-N 3.06Å; V610-I614 HydrophobicContact CG1-CD1 3.94Å; V610-I614 VanDerWaalsContact O-CG1 3.28Å; V610-I614 WeakPolarHBondContact O-CG1 3.11Å; V610-I614 PolarHBondContact O-N 3.48Å
611S97.3Very high92.9Very high0 Ų024.6 Ų24.60%016%0.157CC..Hα-helixtrans-60.2-45.4176.11780000112.8L332 N334 C335 D607 V608 I609 I614 A615L332-S611 PolarHBondContact O-OG 3.41Å; N334-S611 WeakPolarHBondContact CA-OG 3.3Å; N334-S611 PolarHBondContact N-OG 3.42Å; C335-S611 PolarHBondContact N-OG 2.86Å; C335-S611 VanDerWaalsContact SG-CB 3.51Å; D607-S611 WeakPolarHBondContact O-CB 3.17Å; D607-S611 PolarHBondContact O-N 2.62Å; V608-S611 WeakPolarHBondContact O-CB 3.48Å; V608-S611 PolarHBondContact O-N 3.26Å; I609-S611 VanDerWaalsContact C-N 3.28Å; I609-S611 PolarHBondContact O-N 2.69Å; S611-I614 PolarHBondContact O-N 3.48Å; S611-A615 WeakPolarHBondContact O-CB 3.09Å; S611-A615 PolarHBondContact O-N 3Å
612L97.7Very high92.6Very high0 Ų022.1 Ų22.10%015%0.15CC..Hα-helixtrans-65.5-40.9177.1-67179.1000111.5L332 L344 W347 V365 V608 I609 I614 A615 A616 I696L332-L612 HydrophobicContact CB-CD2 4.1Å; L332-L612 HydrophobicContact CD1-CD2 4.08Å; L332-L612 HydrophobicContact CD2-CD2 4.35Å; L332-L612 HydrophobicContact CG-CD2 4.41Å; L344-L612 HydrophobicContact CD1-CD2 4.15Å; W347-L612 HydrophobicContact CE3-CD1 4.43Å; W347-L612 HydrophobicContact CZ3-CD1 4.12Å; V365-L612 HydrophobicContact CG1-CB 4.4Å; V365-L612 HydrophobicContact CG2-CB 3.93Å; V365-L612 HydrophobicContact CG2-CD1 4.16Å; V608-L612 HydrophobicContact CG1-CD1 4.23Å; V608-L612 HydrophobicContact CG1-CG 4.34Å; V608-L612 WeakPolarHBondContact O-CG 3.44Å; V608-L612 PolarHBondContact O-N 3.32Å; I609-L612 PolarHBondContact O-N 2.96Å; L612-I614 VanDerWaalsContact C-N 3.32Å; L612-I614 PolarHBondContact O-N 3.36Å; L612-A615 PolarHBondContact O-N 3.44Å; L612-A616 WeakPolarHBondContact O-CB 3.36Å; L612-A616 PolarHBondContact O-N 2.87Å; L612-I696 HydrophobicContact CD2-CD1 4.44Å
613A97Very high92.4Very high0 Ų024.2 Ų24.20%017%0.166CC..Hα-helixtrans-63.2-37.8175.200000112.3V365 F368 V369 I609 V610V365-A613 HydrophobicContact CG1-CB 4.28Å; F368-A613 HydrophobicContact CB-CB 3.64Å; V369-A613 HydrophobicContact CG2-CB 3.87Å; I609-A613 PolarHBondContact O-N 3.32Å; V610-A613 PolarHBondContact O-N 3.06Å
614I96.6Very high92.4Very high24 Ų2424.7 Ų24.712%0.12317%0.168CC..Hα-helixtrans-66.4-45.7173-69168.8000110.6N334 R375 H379 V610 S611 L612 A616 I617 S618N334-I614 HydrophobicContact CB-CB 4.34Å; N334-I614 HydrophobicContact CB-CG2 4.07Å; R375-I614 HydrophobicContact CG-CG1 4Å; H379-I614 HydrophobicContact CB-CD1 3.94Å; H379-I614 WeakPolarHBondContact CD2-CD1 3.32Å; H379-I614 VanDerWaalsContact CG-CD1 3.41Å; H379-I614 VanDerWaalsContact NE2-CD1 3.35Å; H379-I614 WeakPolarHBondContact NE2-CD1 3.15Å; V610-I614 HydrophobicContact CG1-CD1 3.94Å; V610-I614 VanDerWaalsContact O-CG1 3.28Å; V610-I614 WeakPolarHBondContact O-CG1 3.11Å; V610-I614 PolarHBondContact O-N 3.48Å; S611-I614 PolarHBondContact O-N 3.48Å; L612-I614 VanDerWaalsContact C-N 3.32Å; L612-I614 PolarHBondContact O-N 3.36Å; I614-A616 VanDerWaalsContact C-N 3.25Å; I614-A616 PolarHBondContact O-N 3.21Å; I614-I617 PolarHBondContact O-N 3.36Å; I614-I617 VanDerWaalsContact O-N 3.15Å; I614-S618 WeakPolarHBondContact CG2-OG 3.41Å; I614-S618 VanDerWaalsContact O-CB 3.28Å; I614-S618 WeakPolarHBondContact O-CB 2.98Å; I614-S618 PolarHBondContact O-N 2.82Å; I614-S618 PolarHBondContact O-OG 3.13Å
615A94.8Very high92.5Very high7 Ų726.5 Ų26.56%0.05818%0.176CC..Hα-helixtrans-59.3-38.4178.800000111.8L332 S611 L612 I617 S618L332-A615 HydrophobicContact CD2-CB 3.9Å; S611-A615 WeakPolarHBondContact O-CB 3.09Å; S611-A615 PolarHBondContact O-N 3Å; L612-A615 PolarHBondContact O-N 3.44Å; A615-I617 VanDerWaalsContact C-N 3.26Å; A615-I617 PolarHBondContact O-N 3.03Å; A615-S618 PolarHBondContact O-N 2.89Å
616A95.1Very high92.5Very high0 Ų027.7 Ų27.70%018%0.179CC..Hα-helixtrans-62.4-29.9178.100000113.9V369 L612 I614 S623 Y624 F699V369-A616 HydrophobicContact CG2-CB 4.02Å; L612-A616 WeakPolarHBondContact O-CB 3.36Å; L612-A616 PolarHBondContact O-N 2.87Å; I614-A616 VanDerWaalsContact C-N 3.25Å; I614-A616 PolarHBondContact O-N 3.21Å; A616-S623 CarbonylContact O-C 3.58Å; A616-S623 WeakPolarHBondContact O-CA 3.47Å; A616-S623 WeakPolarHBondContact O-CB 3.43Å; A616-Y624 PolarHBondContact O-N 3.43Å; A616-F699 HydrophobicContact CB-CB 3.88Å; A616-F699 HydrophobicContact CB-CD2 4.08Å; A616-F699 HydrophobicContact CB-CG 4.22Å
617I93.5Very high92.5Very high61 Ų6127.8 Ų27.831%0.31318%0.18SC..Hα-helixtrans-100.1-22.9-176.8-61.8165.9000112.1V369 I614 A615 S619V369-I617 HydrophobicContact CB-CD1 4.29Å; V369-I617 HydrophobicContact CG1-CD1 4.03Å; V369-I617 HydrophobicContact CG1-CG1 4.15Å; V369-I617 HydrophobicContact CG2-CD1 4.37Å; V369-I617 WeakPolarHBondContact O-CD1 3.38Å; I614-I617 PolarHBondContact O-N 3.36Å; I614-I617 VanDerWaalsContact O-N 3.15Å; A615-I617 VanDerWaalsContact C-N 3.26Å; A615-I617 PolarHBondContact O-N 3.03Å; I617-S619 VanDerWaalsContact C-N 3.27Å; I617-S619 PolarHBondContact O-N 3.42Å
618S88.8Confident92.4Very high66 Ų6633.1 Ų33.146%0.46220%0.203SC..SBendtrans-83.11.4-173.2-55.60000114.1I614 A615I614-S618 WeakPolarHBondContact CG2-OG 3.41Å; I614-S618 VanDerWaalsContact O-CB 3.28Å; I614-S618 WeakPolarHBondContact O-CB 2.98Å; I614-S618 PolarHBondContact O-N 2.82Å; I614-S618 PolarHBondContact O-OG 3.13Å; A615-S618 PolarHBondContact O-N 2.89Å
619S79.4Confident92.4Very high14 Ų1433.4 Ų33.410%0.09821%0.205CC..SBendtrans-65.6148.1-179.455.30000112.3I617 G621 V622 S623I617-S619 VanDerWaalsContact C-N 3.27Å; I617-S619 PolarHBondContact O-N 3.42Å; S619-G621 VanDerWaalsContact C-N 3.29Å; S619-G621 PolarHBondContact O-N 2.96Å; S619-V622 VanDerWaalsContact OG-C 3.31Å; S619-V622 PolarHBondContact OG-O 3.48Å; S619-S623 WeakPolarHBondContact OG-CA 3.35Å
620S69.3Low92.2Very high76 Ų7633.8 Ų33.853%0.53121%0.207SC..SBendtrans-76.173.2-178.936.90000111.4E648S620-E648 WeakPolarHBondContact OG-CG 3.36Å; S620-E648 PolarHBondContact OG-O 2.84Å
621G76.3Confident91.9Very high73 Ų7335.7 Ų35.775%0.75322%0.22SC*.SBendtrans132-58.4165.600000114.1S619S619-G621 VanDerWaalsContact C-N 3.29Å; S619-G621 PolarHBondContact O-N 2.96Å
622V86.5Confident91.2Very high79 Ų7941 Ų4148%0.47925%0.245SC..SBendtrans-121.1120.3-178.3-177.40000109.3S619 R643S619-V622 VanDerWaalsContact OG-C 3.31Å; S619-V622 PolarHBondContact OG-O 3.48Å; V622-R643 PolarHBondContact O-NH2 2.97Å
623S91.6Very high90.3Very high65 Ų6548.2 Ų48.246%0.45528%0.284SS..  trans-56149.4175.2-54.20000111.4A616 S619A616-S623 CarbonylContact O-C 3.58Å; A616-S623 WeakPolarHBondContact O-CA 3.47Å; A616-S623 WeakPolarHBondContact O-CB 3.43Å; S619-S623 WeakPolarHBondContact OG-CA 3.35Å
624Y96Very high89.4Confident10 Ų1052.2 Ų52.24%0.03931%0.305CS..  trans-68.8151.5173.1-64.2-0.3000109.9A616 P645 M693 V700 P701A616-Y624 PolarHBondContact O-N 3.43Å; Y624-P645 WeakPolarHBondContact OH-CB 3.48Å; Y624-M693 HydrophobicContact CD2-CE 4.13Å; Y624-M693 HydrophobicContact CE2-CE 3.83Å; Y624-V700 CarbonylContact C-O 3.57Å; Y624-V700 VanDerWaalsContact CA-O 3.31Å; Y624-V700 WeakPolarHBondContact CA-O 3.43Å; Y624-V700 WeakPolarHBondContact CB-O 3.42Å; Y624-P701 HydrophobicContact CD1-CB 3.77Å; Y624-P701 HydrophobicContact CE1-CB 3.49Å; Y624-P701 VanDerWaalsContact CE1-CB 3.49Å; Y624-P701 HydrophobicContact CE1-CG 4.48Å; Y624-P701 HydrophobicContact CG-CB 4.44Å
625I96.3Very high88.8Confident43 Ų4351.1 Ų51.122%0.22130%0.3CS..BIsolated β-bridgetrans-110.2153.7-178.76387.2000110.9P627 F699 V700 C702 A705I625-P627 WeakPolarHBondContact O-CD 3.36Å; I625-F699 WeakPolarHBondContact O-CA 3.49Å; I625-F699 WeakPolarHBondContact O-CB 3.46Å; I625-V700 HydrophobicContact CD1-CG2 3.9Å; I625-V700 HydrophobicContact CG1-CG2 4.37Å; I625-V700 PolarHBondContact N-O 2.89Å; I625-V700 PolarHBondContact O-N 3.12Å; I625-C702 HydrophobicContact CD1-CB 4.4Å; I625-C702 HydrophobicContact CG1-CB 4.2Å; I625-C702 WeakPolarHBondContact CG1-O 3.34Å; I625-C702 WeakPolarHBondContact CG2-O 3.43Å; I625-A705 HydrophobicContact CD1-CB 3.78Å
626R97.5Very high88.7Confident63 Ų6353.8 Ų53.824%0.23831%0.308CS..  trans-68119.4172.6-173.7-173.2174.7102.38.9109.6E359 L362 D363 E366 F699E359-R626 PolarHBondContact O-NH2 3.42Å; L362-R626 VanDerWaalsContact CB-CZ 3.4Å; L362-R626 PolarHBondContact O-NH1 3.14Å; D363-R626 VanDerWaalsContact CA-NH1 3.34Å; D363-R626 IonicContact OD1-CZ 3.77Å; D363-R626 IonicContact OD1-NH1 3.8Å; D363-R626 PolarHBondContact OD1-NH1 3.09Å; D363-R626 IonicContact OD1-NH2 3Å; D363-R626 PolarHBondContact OD1-NH2 3.11Å; E366-R626 IonicContact OE2-CZ 3.51Å; E366-R626 IonicContact OE2-NE 2.99Å; E366-R626 IonicContact OE2-NH1 3.94Å; E366-R626 PolarHBondContact OE2-NH1 2.75Å; R626-F699 HydrophobicContact CB-CD1 4.24Å; R626-F699 HydrophobicContact CB-CD2 4.49Å; R626-F699 HydrophobicContact CB-CE1 3.77Å; R626-F699 HydrophobicContact CB-CE2 4.04Å; R626-F699 HydrophobicContact CB-CZ 3.65Å; R626-F699 HydrophobicContact CG-CD1 4.48Å; R626-F699 HydrophobicContact CG-CE1 3.89Å; R626-F699 HydrophobicContact CG-CZ 4.16Å
627P97.3Very high88.8Confident2 Ų253.8 Ų53.81%0.01331%0.308CS..  trans-71.3144.2173.330.6-34.2000110.5L362 I625 I629 A694 V700 A705 I707L362-P627 HydrophobicContact CD1-CG 4.09Å; L362-P627 HydrophobicContact CD2-CG 4.14Å; I625-P627 WeakPolarHBondContact O-CD 3.36Å; P627-I629 HydrophobicContact CB-CD1 4.33Å; P627-I629 HydrophobicContact CG-CD1 4.21Å; P627-A694 HydrophobicContact CB-CB 4.18Å; P627-A694 HydrophobicContact CG-CB 3.88Å; P627-V700 HydrophobicContact CB-CG1 4.39Å; P627-V700 HydrophobicContact CB-CG2 3.99Å; P627-V700 HydrophobicContact CG-CG1 4.16Å; P627-V700 HydrophobicContact CG-CG2 4.36Å; P627-A705 HydrophobicContact CB-CB 4.07Å; P627-I707 HydrophobicContact CB-CD1 4.15Å
628K97.1Very high89Confident113 Ų11352 Ų5249%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-88.1114.1170.6178.7176.8168.7-159.10109.5L630 A705 E706 I707K628-L630 HydrophobicContact CD-CD2 4.43Å; K628-L630 HydrophobicContact CG-CD2 4.2Å; K628-A705 PolarHBondContact N-O 2.89Å; K628-E706 HydrophobicContact CB-CG 4.14Å; K628-E706 HydrophobicContact CD-CG 4.15Å; K628-E706 WeakPolarHBondContact CD-OE1 3.35Å; K628-E706 HydrophobicContact CG-CG 4.48Å; K628-E706 IonicContact NZ-OE1 3.36Å; K628-E706 PolarHBondContact NZ-OE1 2.91Å; K628-E706 WeakPolarHBondContact O-CA 3.29Å; K628-I707 PolarHBondContact O-N 3.36Å
629I96.2Very high89.4Confident5 Ų548.9 Ų48.93%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-84.6121.2-179.1-50.9-57.7000109.8K355 I358 E359 L362 P627 A694 I707 P709K355-I629 HydrophobicContact CB-CG2 4.26Å; K355-I629 HydrophobicContact CD-CG2 4.32Å; K355-I629 VanDerWaalsContact CE-O 3.25Å; K355-I629 WeakPolarHBondContact CE-O 3.41Å; K355-I629 HydrophobicContact CG-CB 4.41Å; K355-I629 HydrophobicContact CG-CG2 3.8Å; K355-I629 PolarHBondContact NZ-O 3.4Å; I358-I629 HydrophobicContact CG2-CD1 3.95Å; I358-I629 HydrophobicContact CG2-CG1 3.78Å; E359-I629 HydrophobicContact CG-CB 4.37Å; L362-I629 HydrophobicContact CD1-CD1 4.21Å; L362-I629 HydrophobicContact CD1-CG1 3.79Å; P627-I629 HydrophobicContact CB-CD1 4.33Å; P627-I629 HydrophobicContact CG-CD1 4.21Å; I629-A694 HydrophobicContact CD1-CB 4.32Å; I629-I707 WeakPolarHBondContact CA-O 3.12Å; I629-P709 HydrophobicContact CG2-CG 3.57Å
630L94.7Very high90.2Very high9 Ų953.3 Ų53.35%0.04730%0.295CS..PPolyproline II helixtrans-93158.3-177.5-58.1-179.1000111.4K628 N634 R636 E706 I707 P709K628-L630 HydrophobicContact CD-CD2 4.43Å; K628-L630 HydrophobicContact CG-CD2 4.2Å; L630-N634 HydrophobicContact CB-CB 4.04Å; L630-N634 HydrophobicContact CD1-CB 4.18Å; L630-R636 HydrophobicContact CD1-CG 3.35Å; L630-R636 VanDerWaalsContact CD1-NE 3.32Å; L630-E706 HydrophobicContact CD1-CB 4.03Å; L630-E706 HydrophobicContact CG-CB 4.37Å; L630-I707 PolarHBondContact N-O 2.84Å; L630-P709 WeakPolarHBondContact O-CD 3.31Å
631S90.3Very high91.4Very high40 Ų4054.2 Ų54.228%0.2829%0.291SS..PPolyproline II helixtrans-73.6160.3164.859.50000110.5D633 N634S631-D633 PolarHBondContact O-N 2.93Å; S631-N634 PolarHBondContact O-N 3.46Å; S631-N634 PolarHBondContact OG-ND2 2.8Å
632E82.3Confident92.4Very high112 Ų11251 Ų5152%0.52326%0.257SS..G310 helixtrans-57-32.9178.9-62.4-172.2177.900113.1N634 G635E632-N634 PolarHBondContact O-N 2.83Å; E632-N634 VanDerWaalsContact O-N 3.14Å; E632-G635 PolarHBondContact O-N 2.85Å
633D79.9Confident92.8Very high151 Ų15148.3 Ų48.381%0.80724%0.238SC*.G310 helixtrans-57.7-29.4177.1-55.5-46.1000112.9S631 G635S631-D633 PolarHBondContact O-N 2.93Å; D633-G635 VanDerWaalsContact C-N 3.28Å; D633-G635 PolarHBondContact O-N 3.04Å
634N77Confident92.9Very high83 Ų8346.1 Ų46.144%0.44422%0.221SC..G310 helixtrans-88.613.5-173.4-74.4-62.4000113.8L630 S631 E632 R636L630-N634 HydrophobicContact CB-CB 4.04Å; L630-N634 HydrophobicContact CD1-CB 4.18Å; S631-N634 PolarHBondContact O-N 3.46Å; S631-N634 PolarHBondContact OG-ND2 2.8Å; E632-N634 PolarHBondContact O-N 2.83Å; E632-N634 VanDerWaalsContact O-N 3.14Å; N634-R636 VanDerWaalsContact C-N 3.34Å; N634-R636 WeakPolarHBondContact O-CB 3.44Å; N634-R636 VanDerWaalsContact O-CG 3.22Å; N634-R636 WeakPolarHBondContact O-CG 3.45Å; N634-R636 PolarHBondContact O-N 3.08Å
635G84Confident92.7Very high2 Ų245.7 Ų45.72%0.02122%0.219CC..  trans-15.774.2-174.700000119E632 D633 R664E632-G635 PolarHBondContact O-N 2.85Å; D633-G635 VanDerWaalsContact C-N 3.28Å; D633-G635 PolarHBondContact O-N 3.04Å; G635-R664 WeakPolarHBondContact O-CG 3.37Å; G635-R664 PolarHBondContact O-N 3.08Å
636R94.2Very high92.5Very high62 Ų6243.8 Ų43.823%0.23421%0.21CC..EExtended strand (participates in β ladder)trans-149.6148.3176.772.1-163.1175.6158.37.7112L630 N634 I638 L662 E663 E706 M708L630-R636 HydrophobicContact CD1-CG 3.35Å; L630-R636 VanDerWaalsContact CD1-NE 3.32Å; N634-R636 VanDerWaalsContact C-N 3.34Å; N634-R636 WeakPolarHBondContact O-CB 3.44Å; N634-R636 VanDerWaalsContact O-CG 3.22Å; N634-R636 WeakPolarHBondContact O-CG 3.45Å; N634-R636 PolarHBondContact O-N 3.08Å; R636-I638 HydrophobicContact CG-CD1 4.37Å; R636-I638 HydrophobicContact CG-CG1 4.46Å; R636-L662 CarbonylContact C-O 3.52Å; R636-L662 WeakPolarHBondContact CA-O 3.35Å; R636-L662 VanDerWaalsContact CB-O 3.28Å; R636-L662 WeakPolarHBondContact CB-O 3.45Å; R636-E663 HydrophobicContact CB-CB 3.97Å; R636-E663 HydrophobicContact CB-CG 4Å; R636-E706 IonicContact CZ-OE1 2.79Å; R636-E706 IonicContact CZ-OE2 3.89Å; R636-E706 IonicContact NE-OE2 2.75Å; R636-E706 PolarHBondContact NE-OE2 2.89Å; R636-E706 IonicContact NH1-OE2 3.45Å; R636-E706 IonicContact NH2-OE1 3.59Å; R636-E706 PolarHBondContact NH2-OE1 2.99Å; R636-E706 IonicContact NH2-OE2 3.51Å; R636-E706 PolarHBondContact NH2-OE2 3.11Å; R636-M708 PolarHBondContact O-N 2.99Å; R636-M708 VanDerWaalsContact O-N 3.13Å
637I96.6Very high92.1Very high0 Ų042.9 Ų42.90%021%0.21CC..EExtended strand (participates in β ladder)trans-129107.8172.9-58.7171.6000106L639 L662 V691 E706 I707 V710 F783I637-L639 HydrophobicContact CG2-CG 4.28Å; I637-L662 HydrophobicContact CB-CB 4.22Å; I637-L662 HydrophobicContact CB-CD1 4.4Å; I637-L662 HydrophobicContact CD1-CD1 4.48Å; I637-L662 PolarHBondContact N-O 2.91Å; I637-L662 PolarHBondContact O-N 3.11Å; I637-V691 HydrophobicContact CD1-CG2 4.46Å; I637-V691 HydrophobicContact CG2-CG2 4.22Å; I637-E706 CarbonylContact C-O 3.59Å; I637-E706 WeakPolarHBondContact CA-O 3.39Å; I637-I707 HydrophobicContact CG2-CG1 4.48Å; I637-V710 HydrophobicContact CD1-CG1 4.1Å; I637-F783 HydrophobicContact CD1-CD2 3.88Å; I637-F783 HydrophobicContact CD1-CE2 4.25Å; I637-F783 HydrophobicContact CD1-CG 4.1Å
638I97.3Very high91.8Very high25 Ų2543.5 Ų43.513%0.12821%0.212CC..EExtended strand (participates in β ladder)trans-121.3116.8-179-58176.8000107.6R636 I660 Y704 A705 E706R636-I638 HydrophobicContact CG-CD1 4.37Å; R636-I638 HydrophobicContact CG-CG1 4.46Å; I638-I660 CarbonylContact C-O 3.47Å; I638-I660 WeakPolarHBondContact CA-O 3.17Å; I638-Y704 HydrophobicContact CG2-CD1 4.46Å; I638-Y704 HydrophobicContact CG2-CE1 4.37Å; I638-A705 CarbonylContact O-C 3.57Å; I638-A705 VanDerWaalsContact O-CA 3.32Å; I638-A705 WeakPolarHBondContact O-CA 3.45Å; I638-E706 HydrophobicContact CB-CB 4.4Å; I638-E706 PolarHBondContact N-O 2.88Å; I638-E706 PolarHBondContact O-N 2.88Å
639L97.5Very high91.3Very high0 Ų040.1 Ų40.10%020%0.199CC..EExtended strand (participates in β ladder)trans-122.9121.6176.9-49.6175.4000107.8I637 A642 D659 I660 V687 I690 A705 I707I637-L639 HydrophobicContact CG2-CG 4.28Å; L639-A642 HydrophobicContact CB-CB 4.04Å; L639-D659 CarbonylContact O-C 3.57Å; L639-D659 WeakPolarHBondContact O-CA 3.29Å; L639-I660 HydrophobicContact CB-CB 4.15Å; L639-I660 HydrophobicContact CB-CD1 3.97Å; L639-I660 HydrophobicContact CD1-CB 4.45Å; L639-I660 HydrophobicContact CD1-CD1 4.12Å; L639-I660 HydrophobicContact CG-CB 4.44Å; L639-I660 PolarHBondContact N-O 3.02Å; L639-I660 PolarHBondContact O-N 3.46Å; L639-V687 HydrophobicContact CD1-CG1 4.18Å; L639-I690 HydrophobicContact CD1-CB 4.18Å; L639-I690 HydrophobicContact CD1-CD1 4.23Å; L639-I690 HydrophobicContact CD1-CG2 3.77Å; L639-I690 HydrophobicContact CD2-CG2 3.82Å; L639-I690 HydrophobicContact CG-CG2 4.45Å; L639-A705 HydrophobicContact CD2-CB 3.78Å; L639-I707 HydrophobicContact CD2-CD1 3.88Å; L639-I707 HydrophobicContact CD2-CG1 3.87Å
640K96.8Very high90.7Very high107 Ų10742.4 Ų42.447%0.46521%0.209SC..EExtended strand (participates in β ladder)trans-103.5136.6173.3-60-171.5177.6-1770110.1A642 D659 C702 S703 Y704K640-A642 PolarHBondContact O-N 3.31Å; K640-D659 WeakPolarHBondContact CA-OD1 3.46Å; K640-C702 WeakPolarHBondContact O-CB 3.34Å; K640-S703 PolarHBondContact O-N 3Å; K640-S703 PolarHBondContact O-OG 2.87Å; K640-Y704 HydrophobicContact CD-CD1 4.22Å; K640-Y704 HydrophobicContact CD-CG 4.47Å; K640-Y704 HydrophobicContact CG-CD1 4.19Å; K640-Y704 PolarHBondContact N-O 2.8Å
641E94.9Very high89.9Confident95 Ų9549.2 Ų49.244%0.44425%0.246SC..EExtended strand (participates in β ladder)trans48.244.4-178.8-60.9-179139.400113.1R643 P657 D659 S703E641-R643 PolarHBondContact O-NH1 3.37Å; E641-P657 HydrophobicContact CB-CB 3.71Å; E641-P657 HydrophobicContact CB-CG 4.33Å; E641-P657 HydrophobicContact CG-CB 4.36Å; E641-D659 PolarHBondContact N-OD1 3.18Å; E641-S703 WeakPolarHBondContact CB-OG 3.48Å; E641-S703 WeakPolarHBondContact OE2-CB 3.46Å; E641-S703 PolarHBondContact OE2-OG 3.35Å
642A96Very high89.4Confident6 Ų659.5 Ų59.55%0.0528%0.278CS..EExtended strand (participates in β ladder)trans-65.2134.9179.500000110.9L639 K640 P657 N658 I660 I690L639-A642 HydrophobicContact CB-CB 4.04Å; K640-A642 PolarHBondContact O-N 3.31Å; A642-P657 WeakPolarHBondContact O-CA 3.36Å; A642-N658 VanDerWaalsContact CB-O 3.28Å; A642-N658 WeakPolarHBondContact CB-O 3.32Å; A642-N658 PolarHBondContact N-O 3.28Å; A642-N658 PolarHBondContact O-N 3.27Å; A642-I660 HydrophobicContact CB-CD1 3.51Å; A642-I690 HydrophobicContact CB-CD1 3.67Å
643R94.4Very high89.4Confident21 Ų2157.3 Ų57.38%0.07927%0.272CS..  trans-123.3147.5178-55.9178.4-56.7-82.39.7110V622 E641 P645 E648 V655 P657 P701V622-R643 PolarHBondContact O-NH2 2.97Å; E641-R643 PolarHBondContact O-NH1 3.37Å; R643-P645 WeakPolarHBondContact O-CD 3.43Å; R643-E648 IonicContact CZ-OE1 3.69Å; R643-E648 IonicContact CZ-OE2 3.71Å; R643-E648 VanDerWaalsContact NE-CD 3.29Å; R643-E648 IonicContact NE-OE1 2.91Å; R643-E648 PolarHBondContact NE-OE1 3.19Å; R643-E648 IonicContact NE-OE2 3Å; R643-E648 PolarHBondContact NE-OE2 3.15Å; R643-E648 IonicContact NH2-OE1 3.12Å; R643-E648 PolarHBondContact NH2-OE1 3.08Å; R643-E648 IonicContact NH2-OE2 2.7Å; R643-V655 HydrophobicContact CB-CG1 3.98Å; R643-V655 HydrophobicContact CG-CG1 4.31Å; R643-P657 HydrophobicContact CG-CB 3.96Å; R643-P701 HydrophobicContact CB-CB 4.28Å; R643-P701 PolarHBondContact N-O 3.19Å; R643-P701 WeakPolarHBondContact O-CG 3.31Å
644H93.7Very high89.7Confident20 Ų2055.1 Ų55.19%0.09327%0.269CS..  trans-75.9117.9174-165.7-62.6000109.6C646 L647 E648 T682 S686H644-C646 VanDerWaalsContact C-N 3.34Å; H644-C646 PolarHBondContact ND1-N 2.85Å; H644-C646 PolarHBondContact O-N 3.13Å; H644-L647 HydrophobicContact CB-CB 4.09Å; H644-L647 HydrophobicContact CB-CD1 3.92Å; H644-L647 HydrophobicContact CB-CG 4.06Å; H644-L647 PolarHBondContact O-N 3.14Å; H644-L647 VanDerWaalsContact O-N 3.16Å; H644-E648 PolarHBondContact O-N 3.33Å; H644-T682 HydrophobicContact CB-CG2 4.46Å; H644-S686 VanDerWaalsContact CB-OG 3.3Å; H644-S686 WeakPolarHBondContact CB-OG 3.36Å; H644-S686 PolarHBondContact CD2-OG 2.83Å
645P92.8Very high90.3Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-60.8-41.3-171.824.7-35.4000112.5T331 Y624 R643 M649 V689 M693 P701T331-P645 HydrophobicContact CG2-CB 4.19Å; Y624-P645 WeakPolarHBondContact OH-CB 3.48Å; R643-P645 WeakPolarHBondContact O-CD 3.43Å; P645-M649 WeakPolarHBondContact O-CG 3.44Å; P645-V689 HydrophobicContact CG-CG1 3.51Å; P645-M693 HydrophobicContact CB-SD 4.08Å; P645-M693 HydrophobicContact CG-SD 3.69Å; P645-P701 HydrophobicContact CB-CG 4.26Å
646C91.6Very high90.7Very high4 Ų456 Ų563%0.02727%0.274CS..Hα-helixtrans-65.6-41.1178.3-54.30000113.3F325 V328 H644 Q650F325-C646 VanDerWaalsContact O-CB 3.26Å; F325-C646 WeakPolarHBondContact O-CB 3.41Å; V328-C646 PolarHBondContact N-SG 3.17Å; H644-C646 VanDerWaalsContact C-N 3.34Å; H644-C646 PolarHBondContact ND1-N 2.85Å; H644-C646 PolarHBondContact O-N 3.13Å; C646-Q650 WeakPolarHBondContact O-CG 3.35Å
647L89.7Confident90.7Very high44 Ų4454.9 Ų54.923%0.2328%0.275CS..Hα-helixtrans-74.6-33-178.2-64177.2000111.8H644 M649 Q650 V655 T682H644-L647 HydrophobicContact CB-CB 4.09Å; H644-L647 HydrophobicContact CB-CD1 3.92Å; H644-L647 HydrophobicContact CB-CG 4.06Å; H644-L647 PolarHBondContact O-N 3.14Å; H644-L647 VanDerWaalsContact O-N 3.16Å; L647-M649 PolarHBondContact O-N 3.42Å; L647-Q650 PolarHBondContact O-N 3.28Å; L647-Q650 VanDerWaalsContact O-N 3.13Å; L647-V655 HydrophobicContact CB-CG2 3.72Å; L647-T682 HydrophobicContact CD1-CG2 3.32Å
648E89.9Confident90.6Very high14 Ų1455.6 Ų55.67%0.06528%0.279CS..Hα-helixtrans-60.3-32.8176.9179.2172.2175.300111.6S620 R643 H644 V655S620-E648 WeakPolarHBondContact OG-CG 3.36Å; S620-E648 PolarHBondContact OG-O 2.84Å; R643-E648 IonicContact CZ-OE1 3.69Å; R643-E648 IonicContact CZ-OE2 3.71Å; R643-E648 VanDerWaalsContact NE-CD 3.29Å; R643-E648 IonicContact NE-OE1 2.91Å; R643-E648 PolarHBondContact NE-OE1 3.19Å; R643-E648 IonicContact NE-OE2 3Å; R643-E648 PolarHBondContact NE-OE2 3.15Å; R643-E648 IonicContact NH2-OE1 3.12Å; R643-E648 PolarHBondContact NH2-OE1 3.08Å; R643-E648 IonicContact NH2-OE2 2.7Å; H644-E648 PolarHBondContact O-N 3.33Å; E648-V655 HydrophobicContact CB-CG2 4.26Å
649M87.4Confident90.6Very high43 Ų4358.4 Ų58.421%0.21229%0.294CS..THydrogen-bonded Turntrans-84.8-5.1179.2-63.8-58.4-64.400114.4F325 T331 P645 L647F325-M649 HydrophobicContact CB-CB 3.96Å; F325-M649 HydrophobicContact CD1-CB 3.55Å; F325-M649 HydrophobicContact CD1-CE 4.28Å; F325-M649 HydrophobicContact CD1-CG 4.06Å; F325-M649 HydrophobicContact CD2-CB 4.4Å; F325-M649 HydrophobicContact CE1-CB 4.12Å; F325-M649 HydrophobicContact CE1-CE 3.68Å; F325-M649 HydrophobicContact CE1-CG 4.39Å; F325-M649 HydrophobicContact CG-CB 3.72Å; F325-M649 HydrophobicContact CZ-CE 4.04Å; T331-M649 HydrophobicContact CG2-CG 3.9Å; P645-M649 WeakPolarHBondContact O-CG 3.44Å; L647-M649 PolarHBondContact O-N 3.42Å
650Q84.9Confident90.6Very high53 Ų5358.7 Ų58.725%0.24830%0.295CS..SBendtrans-80.9131.8-179.9-71.5-179.912.500111.5C646 L647 R652 V653C646-Q650 WeakPolarHBondContact O-CG 3.35Å; L647-Q650 PolarHBondContact O-N 3.28Å; L647-Q650 VanDerWaalsContact O-N 3.13Å; Q650-R652 PolarHBondContact O-N 3.44Å; Q650-V653 HydrophobicContact CB-CB 4.29Å; Q650-V653 HydrophobicContact CB-CG2 3.98Å; Q650-V653 PolarHBondContact O-N 2.99Å
651D77.3Confident90.5Very high151 Ų15156.6 Ų56.681%0.80729%0.287SS*.THydrogen-bonded Turntrans-57.8134174.2-66.3-35.2000110.5V653D651-V653 VanDerWaalsContact C-N 3.31Å; D651-V653 PolarHBondContact O-N 3.28Å
652R79.8Confident90.6Very high257 Ų25752.1 Ų52.197%0.9727%0.266SS*.THydrogen-bonded Turntrans73.17.7176.6-46173.3-179.4-175.3-1.3116.1Q650Q650-R652 PolarHBondContact O-N 3.44Å
653V82.9Confident90.5Very high65 Ų6553.6 Ų53.639%0.39427%0.272SS..  trans-104.8117.9174.4-177.30000109.6Q650 D651 V655Q650-V653 HydrophobicContact CB-CB 4.29Å; Q650-V653 HydrophobicContact CB-CG2 3.98Å; Q650-V653 PolarHBondContact O-N 2.99Å; D651-V653 VanDerWaalsContact C-N 3.31Å; D651-V653 PolarHBondContact O-N 3.28Å; V653-V655 HydrophobicContact CG1-CG2 4.22Å
654S85.3Confident90.4Very high106 Ų10654.9 Ų54.974%0.74128%0.277SS*.  trans-93.6105.5169.2580000109.4I656S654-I656 PolarHBondContact O-N 3.05Å
655V89.1Confident90Very high38 Ų3856.8 Ų56.823%0.2330%0.302CS..PPolyproline II helixtrans-75.8123.9179.3-179.70000110R643 L647 E648 V653R643-V655 HydrophobicContact CB-CG1 3.98Å; R643-V655 HydrophobicContact CG-CG1 4.31Å; L647-V655 HydrophobicContact CB-CG2 3.72Å; E648-V655 HydrophobicContact CB-CG2 4.26Å; V653-V655 HydrophobicContact CG1-CG2 4.22Å
656I92.3Very high89.9Confident64 Ų6462 Ų6233%0.32832%0.324SS..PPolyproline II helixtrans-87.3121.1174.9-64.5179.4000108.5S654 N658 L832 Y833 K834S654-I656 PolarHBondContact O-N 3.05Å; I656-N658 PolarHBondContact O-ND2 2.85Å; I656-L832 WeakPolarHBondContact CD1-O 3.33Å; I656-Y833 HydrophobicContact CD1-CD2 4.24Å; I656-K834 HydrophobicContact CG2-CD 4.3Å
657P94.1Very high90Very high39 Ų3964.1 Ų64.125%0.25333%0.334SS..PPolyproline II helixtrans-74.3142.9-175.728.4-33.9000112.6E641 A642 R643 K834E641-P657 HydrophobicContact CB-CB 3.71Å; E641-P657 HydrophobicContact CB-CG 4.33Å; E641-P657 HydrophobicContact CG-CB 4.36Å; A642-P657 WeakPolarHBondContact O-CA 3.36Å; R643-P657 HydrophobicContact CG-CB 3.96Å; P657-K834 PolarHBondContact O-NZ 3Å
658N96.1Very high90.2Very high16 Ų1662.3 Ų62.39%0.08633%0.325CS..EExtended strand (participates in β ladder)trans-127.7149.8-178.5-73.3-63.2000112.6A642 I656 Y683 Y833 K834 V835A642-N658 VanDerWaalsContact CB-O 3.28Å; A642-N658 WeakPolarHBondContact CB-O 3.32Å; A642-N658 PolarHBondContact N-O 3.28Å; A642-N658 PolarHBondContact O-N 3.27Å; I656-N658 PolarHBondContact O-ND2 2.85Å; N658-Y683 HydrophobicContact CB-CD2 3.8Å; N658-Y683 HydrophobicContact CB-CE2 3.75Å; N658-Y833 PolarHBondContact ND2-O 2.77Å; N658-K834 WeakPolarHBondContact OD1-CA 3.31Å; N658-V835 PolarHBondContact OD1-N 2.95Å
659D96.9Very high90.5Very high84 Ų8461.7 Ų61.745%0.44932%0.322SS..EExtended strand (participates in β ladder)trans-97.2145.3-180-63.8-17.1000110.3L639 K640 E641 Y683L639-D659 CarbonylContact O-C 3.57Å; L639-D659 WeakPolarHBondContact O-CA 3.29Å; K640-D659 WeakPolarHBondContact CA-OD1 3.46Å; E641-D659 PolarHBondContact N-OD1 3.18Å; D659-Y683 PolarHBondContact O-OH 2.76Å; D659-Y683 VanDerWaalsContact O-OH 3.13Å
660I95.9Very high90.9Very high5 Ų559.8 Ų59.83%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-132133178-58.3100.7000108.7I638 L639 A642 L662 Y683 V687I638-I660 CarbonylContact C-O 3.47Å; I638-I660 WeakPolarHBondContact CA-O 3.17Å; L639-I660 HydrophobicContact CB-CB 4.15Å; L639-I660 HydrophobicContact CB-CD1 3.97Å; L639-I660 HydrophobicContact CD1-CB 4.45Å; L639-I660 HydrophobicContact CD1-CD1 4.12Å; L639-I660 HydrophobicContact CG-CB 4.44Å; L639-I660 PolarHBondContact N-O 3.02Å; L639-I660 PolarHBondContact O-N 3.46Å; A642-I660 HydrophobicContact CB-CD1 3.51Å; I660-L662 HydrophobicContact CG2-CG 4.37Å; I660-Y683 HydrophobicContact CD1-CE2 4.02Å; I660-Y683 HydrophobicContact CG1-CE2 3.68Å; I660-Y683 WeakPolarHBondContact CG1-OH 3.32Å; I660-V687 HydrophobicContact CB-CG2 4.32Å; I660-V687 HydrophobicContact CD1-CG2 3.77Å; I660-V687 HydrophobicContact CG1-CG2 3.53Å; I660-V687 HydrophobicContact CG2-CG1 4.39Å; I660-V687 HydrophobicContact CG2-CG2 4.08Å
661H96.2Very high91.4Very high64 Ų6457.2 Ų57.230%0.29630%0.3SS..EExtended strand (participates in β ladder)trans-138.6107.9177-179.1-173.4000109.1E663 Q667H661-E663 IonicContact CD2-OE2 3.45Å; H661-E663 IonicContact CE1-OE2 3.6Å; H661-E663 IonicContact NE2-OE2 2.8Å; H661-E663 PolarHBondContact NE2-OE2 3.11Å; H661-Q667 VanDerWaalsContact O-CG 3.26Å; H661-Q667 WeakPolarHBondContact O-CG 3.19Å; H661-Q667 PolarHBondContact O-NE2 3.49Å
662L96Very high92.2Very high0 Ų050 Ų500%026%0.262CS..EExtended strand (participates in β ladder)trans-117.5127.8169.6-63.9169.1000107.8R636 I637 I660 Q667 L670 F783 L785R636-L662 CarbonylContact C-O 3.52Å; R636-L662 WeakPolarHBondContact CA-O 3.35Å; R636-L662 VanDerWaalsContact CB-O 3.28Å; R636-L662 WeakPolarHBondContact CB-O 3.45Å; I637-L662 HydrophobicContact CB-CB 4.22Å; I637-L662 HydrophobicContact CB-CD1 4.4Å; I637-L662 HydrophobicContact CD1-CD1 4.48Å; I637-L662 PolarHBondContact N-O 2.91Å; I637-L662 PolarHBondContact O-N 3.11Å; I660-L662 HydrophobicContact CG2-CG 4.37Å; L662-Q667 CarbonylContact C-O 3.55Å; L662-Q667 VanDerWaalsContact CA-O 3.25Å; L662-Q667 WeakPolarHBondContact CA-O 3.26Å; L662-L670 HydrophobicContact CD2-CD1 3.67Å; L662-L670 HydrophobicContact CD2-CD2 4.39Å; L662-L670 HydrophobicContact CD2-CG 3.65Å; L662-L670 HydrophobicContact CG-CD1 4.26Å; L662-F783 HydrophobicContact CB-CD1 3.77Å; L662-F783 HydrophobicContact CB-CE1 4.02Å; L662-F783 HydrophobicContact CD1-CB 4.2Å; L662-F783 HydrophobicContact CD1-CD1 4.21Å; L662-F783 HydrophobicContact CD1-CG 4.48Å; L662-F783 HydrophobicContact CG-CD1 4.45Å; L662-L785 HydrophobicContact CD1-CD2 4.34Å; L662-L785 HydrophobicContact CD2-CD2 4.49Å
663E94.7Very high92.8Very high37 Ų3737.9 Ų37.917%0.17322%0.216CC..EExtended strand (participates in β ladder)trans-154.3129.2-177.5-177.7176.3169.800110.1R636 H661 G665 K666 Q667R636-E663 HydrophobicContact CB-CB 3.97Å; R636-E663 HydrophobicContact CB-CG 4Å; H661-E663 IonicContact CD2-OE2 3.45Å; H661-E663 IonicContact CE1-OE2 3.6Å; H661-E663 IonicContact NE2-OE2 2.8Å; H661-E663 PolarHBondContact NE2-OE2 3.11Å; E663-G665 PolarHBondContact O-N 2.95Å; E663-K666 HydrophobicContact CB-CB 4.35Å; E663-K666 HydrophobicContact CG-CD 4.37Å; E663-K666 PolarHBondContact O-N 3Å; E663-K666 WeakPolarHBondContact OE1-CE 3.4Å; E663-K666 IonicContact OE1-NZ 3.89Å; E663-K666 PolarHBondContact OE1-NZ 3.28Å; E663-K666 WeakPolarHBondContact OE2-CD 3.22Å; E663-K666 WeakPolarHBondContact OE2-CE 3.44Å; E663-K666 IonicContact OE2-NZ 3.39Å; E663-K666 PolarHBondContact OE2-NZ 3.09Å; E663-Q667 PolarHBondContact N-O 2.82Å; E663-Q667 CarbonylContact O-C 3.24Å; E663-Q667 PolarHBondContact O-N 3.14Å
664R91.1Very high92.9Very high49 Ų4935.4 Ų35.419%0.18520%0.204CC..THydrogen-bonded Turntrans-58.8131.6175.3-68.2-177.2-171.2-63.71.2110.3G635 K666 I668 R746 N747 G781 F783G635-R664 WeakPolarHBondContact O-CG 3.37Å; G635-R664 PolarHBondContact O-N 3.08Å; R664-K666 VanDerWaalsContact C-N 3.31Å; R664-I668 HydrophobicContact CG-CG2 4.2Å; R664-R746 VanDerWaalsContact NH1-CG 3.35Å; R664-R746 PolarHBondContact NH1-O 3.46Å; R664-R746 PolarHBondContact NH2-O 3.16Å; R664-N747 PolarHBondContact NH2-OD1 3.5Å; R664-G781 PolarHBondContact NH1-O 3.15Å; R664-F783 HydrophobicContact CG-CZ 4.43Å
665G86.4Confident92.9Very high60 Ų6030.9 Ų30.962%0.61917%0.172SC*.THydrogen-bonded Turntrans83-0.4-176.100000115.1E663 K802E663-G665 PolarHBondContact O-N 2.95Å; G665-K802 CarbonylContact C-O 3.51Å
666K90.5Very high92.5Very high109 Ų10934.3 Ų34.347%0.47419%0.189SC..THydrogen-bonded Turntrans-125.6-64.3172.6-65.4-173.9-169.3153.30113.2E663 R664 K802E663-K666 HydrophobicContact CB-CB 4.35Å; E663-K666 HydrophobicContact CG-CD 4.37Å; E663-K666 PolarHBondContact O-N 3Å; E663-K666 WeakPolarHBondContact OE1-CE 3.4Å; E663-K666 IonicContact OE1-NZ 3.89Å; E663-K666 PolarHBondContact OE1-NZ 3.28Å; E663-K666 WeakPolarHBondContact OE2-CD 3.22Å; E663-K666 WeakPolarHBondContact OE2-CE 3.44Å; E663-K666 IonicContact OE2-NZ 3.39Å; E663-K666 PolarHBondContact OE2-NZ 3.09Å; R664-K666 VanDerWaalsContact C-N 3.31Å; K666-K802 CarbonylContact C-O 3.53Å; K666-K802 PolarHBondContact N-O 3.16Å; K666-K802 CarbonylContact O-C 3.58Å; K666-K802 WeakPolarHBondContact O-CA 3.34Å
667Q92.8Very high91.9Very high48 Ų4838.9 Ų38.922%0.22421%0.211CC..BIsolated β-bridgetrans-157.6118.7177.264.8-163.59.800108.4H661 L662 E663 L670 R803 A805H661-Q667 VanDerWaalsContact O-CG 3.26Å; H661-Q667 WeakPolarHBondContact O-CG 3.19Å; H661-Q667 PolarHBondContact O-NE2 3.49Å; L662-Q667 CarbonylContact C-O 3.55Å; L662-Q667 VanDerWaalsContact CA-O 3.25Å; L662-Q667 WeakPolarHBondContact CA-O 3.26Å; E663-Q667 PolarHBondContact N-O 2.82Å; E663-Q667 CarbonylContact O-C 3.24Å; E663-Q667 PolarHBondContact O-N 3.14Å; Q667-L670 HydrophobicContact CB-CD2 4.49Å; Q667-L670 HydrophobicContact CG-CD2 4.24Å; Q667-R803 CarbonylContact C-O 3.58Å; Q667-R803 WeakPolarHBondContact CA-O 3.49Å; Q667-A805 HydrophobicContact CB-CB 3.92Å
668I94.7Very high91.4Very high7 Ų737 Ų374%0.03620%0.199CC..SBendtrans-112.9-14.7179.157.5168.5000111.3R664 F783 G784 R803R664-I668 HydrophobicContact CG-CG2 4.2Å; I668-F783 HydrophobicContact CB-CD1 4.29Å; I668-F783 HydrophobicContact CG2-CD1 4.38Å; I668-F783 HydrophobicContact CG2-CE1 4.13Å; I668-F783 CarbonylContact O-C 3.57Å; I668-F783 WeakPolarHBondContact O-CA 3.33Å; I668-G784 PolarHBondContact O-N 2.7Å; I668-R803 HydrophobicContact CG1-CB 4.32Å; I668-R803 PolarHBondContact N-O 2.88Å
669F95.7Very high91Very high1 Ų137.1 Ų37.10%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-130.6123.5-177.2-158-83.6000109.9I671 A772 L775 A776 G784 F786 R803 V804 A805F669-I671 HydrophobicContact CD1-CG1 4.2Å; F669-I671 HydrophobicContact CE1-CG1 4.2Å; F669-A772 HydrophobicContact CE1-CB 4.06Å; F669-A772 HydrophobicContact CZ-CB 4.14Å; F669-L775 HydrophobicContact CD2-CB 4.23Å; F669-L775 HydrophobicContact CE2-CB 3.64Å; F669-L775 HydrophobicContact CE2-CD1 4.05Å; F669-L775 HydrophobicContact CZ-CD1 4.48Å; F669-A776 HydrophobicContact CB-CB 3.98Å; F669-A776 HydrophobicContact CD2-CB 4.14Å; F669-A776 HydrophobicContact CG-CB 4.02Å; F669-G784 CarbonylContact C-O 3.58Å; F669-G784 WeakPolarHBondContact CA-O 3.15Å; F669-F786 HydrophobicContact CE1-CB 3.61Å; F669-F786 HydrophobicContact CE1-CD2 4.05Å; F669-F786 HydrophobicContact CE1-CG 4.34Å; F669-F786 HydrophobicContact CZ-CB 3.84Å; F669-F786 AromaticContact CZ-CD2 3.88Å; F669-F786 HydrophobicContact CZ-CD2 3.88Å; F669-F786 HydrophobicContact CZ-CG 4.39Å; F669-R803 PolarHBondContact N-O 3.24Å; F669-V804 HydrophobicContact CB-CG2 4.1Å; F669-V804 CarbonylContact O-C 3.13Å; F669-V804 VanDerWaalsContact O-CA 3.31Å; F669-V804 WeakPolarHBondContact O-CA 3.47Å; F669-A805 PolarHBondContact O-N 2.93Å
670L96.5Very high90.7Very high2 Ų233.6 Ų33.61%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-111.6125.3-179-58.6175000109.8L662 Q667 I672 G784 L785 F786 A805 L807L662-L670 HydrophobicContact CD2-CD1 3.67Å; L662-L670 HydrophobicContact CD2-CD2 4.39Å; L662-L670 HydrophobicContact CD2-CG 3.65Å; L662-L670 HydrophobicContact CG-CD1 4.26Å; Q667-L670 HydrophobicContact CB-CD2 4.49Å; Q667-L670 HydrophobicContact CG-CD2 4.24Å; L670-I672 HydrophobicContact CB-CD1 4.23Å; L670-I672 WeakPolarHBondContact O-CD1 2.86Å; L670-G784 PolarHBondContact N-O 2.99Å; L670-L785 HydrophobicContact CB-CD2 3.88Å; L670-L785 HydrophobicContact CD1-CD2 3.64Å; L670-L785 HydrophobicContact CG-CD2 4.07Å; L670-F786 PolarHBondContact O-N 3.25Å; L670-A805 WeakPolarHBondContact CA-O 3.15Å; L670-A805 HydrophobicContact CD2-CB 3.89Å; L670-L807 HydrophobicContact CB-CD1 4.24Å; L670-L807 HydrophobicContact CD1-CD1 3.89Å; L670-L807 HydrophobicContact CD2-CD1 4.35Å; L670-L807 HydrophobicContact CD2-CG 4.48Å; L670-L807 HydrophobicContact CG-CD1 4.38Å
671I95.8Very high90.5Very high0 Ų035.3 Ų35.30%020%0.197CC..EExtended strand (participates in β ladder)trans-97.9117.6171.9-61.9170.8000107.5F669 T673 F786 T788 L793 T794 L796 V804 A805 L807F669-I671 HydrophobicContact CD1-CG1 4.2Å; F669-I671 HydrophobicContact CE1-CG1 4.2Å; I671-T673 HydrophobicContact CG2-CG2 4.42Å; I671-F786 WeakPolarHBondContact CA-O 3.4Å; I671-T788 HydrophobicContact CG2-CG2 3.81Å; I671-L793 HydrophobicContact CD1-CG 4.21Å; I671-L793 WeakPolarHBondContact CD1-O 3.23Å; I671-T794 HydrophobicContact CG2-CG2 4.15Å; I671-L796 HydrophobicContact CD1-CB 3.93Å; I671-L796 HydrophobicContact CD1-CD2 4.23Å; I671-V804 HydrophobicContact CD1-CG1 3.54Å; I671-V804 HydrophobicContact CG1-CG1 4Å; I671-A805 PolarHBondContact N-O 2.99Å; I671-L807 PolarHBondContact O-N 3.35Å
672I94.3Very high90.2Very high0 Ų035 Ų350%020%0.2CC..EExtended strand (participates in β ladder)trans-107.6115.1-176.7-52.695.6000109.4L670 K680 Y683 I684 L785 F786 A787 T788 L807 V809L670-I672 HydrophobicContact CB-CD1 4.23Å; L670-I672 WeakPolarHBondContact O-CD1 2.86Å; I672-K680 HydrophobicContact CG2-CB 4.49Å; I672-K680 HydrophobicContact CG2-CG 4.28Å; I672-Y683 HydrophobicContact CD1-CE1 4.4Å; I672-Y683 HydrophobicContact CG1-CD1 4.13Å; I672-Y683 HydrophobicContact CG1-CE1 4.02Å; I672-I684 HydrophobicContact CD1-CG2 3.74Å; I672-L785 HydrophobicContact CD1-CB 4.22Å; I672-F786 PolarHBondContact N-O 3.14Å; I672-A787 WeakPolarHBondContact O-CA 3.27Å; I672-T788 PolarHBondContact O-N 3.32Å; I672-L807 WeakPolarHBondContact CA-O 3.1Å; I672-L807 HydrophobicContact CG1-CB 4.22Å; I672-L807 HydrophobicContact CG1-CD1 4.37Å; I672-V809 HydrophobicContact CG2-CG2 4.08Å
673T91.7Very high90.2Very high1 Ų135.4 Ų35.41%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-109.6158.3175.757.80000111.5I671 T788 T794 L807 R808 V809 C840I671-T673 HydrophobicContact CG2-CG2 4.42Å; T673-T788 HydrophobicContact CG2-CG2 3.88Å; T673-T794 HydrophobicContact CG2-CG2 3.45Å; T673-T794 VanDerWaalsContact CG2-CG2 3.45Å; T673-L807 PolarHBondContact N-O 3.31Å; T673-L807 PolarHBondContact OG1-O 3Å; T673-R808 CarbonylContact O-C 3.45Å; T673-R808 VanDerWaalsContact O-CA 3.28Å; T673-R808 WeakPolarHBondContact O-CA 3.36Å; T673-V809 PolarHBondContact O-N 2.77Å; T673-C840 PolarHBondContact OG1-N 2.81Å
674G85.9Confident90.1Very high13 Ų1333.7 Ų33.713%0.13419%0.193CC..  trans151.4173.9176.200000113.4K680G674-K680 PolarHBondContact O-NZ 3.19Å
675P83.5Confident90.2Very high12 Ų1232.6 Ų32.68%0.07819%0.19CC..  trans-62.4158.9-176.425.1-33.3000113.3G678 K680 C811 M831 Y844P675-G678 PolarHBondContact O-N 3.42Å; P675-G678 VanDerWaalsContact O-N 3.16Å; P675-K680 PolarHBondContact O-NZ 3.47Å; P675-C811 HydrophobicContact CG-CB 4.09Å; P675-M831 HydrophobicContact CB-CE 4.07Å; P675-M831 HydrophobicContact CB-SD 4.37Å; P675-M831 HydrophobicContact CG-CE 4.17Å; P675-M831 HydrophobicContact CG-SD 3.81Å; P675-Y844 HydrophobicContact CB-CD2 3.75Å; P675-Y844 HydrophobicContact CB-CG 4.22Å; P675-Y844 HydrophobicContact CG-CD2 3.73Å; P675-Y844 HydrophobicContact CG-CE2 4.28Å; P675-Y844 HydrophobicContact CG-CG 4.45Å
676N81.9Confident90.5Very high109 Ų10930.2 Ų30.258%0.58316%0.164SC*.THydrogen-bonded Turntrans-62144.9167-69.3-9.5000109.4G678 M831N676-G678 PolarHBondContact O-N 3.13Å; N676-G678 VanDerWaalsContact O-N 3.09Å; N676-M831 WeakPolarHBondContact O-CE 3.29Å
677M80.2Confident90.8Very high160 Ų16025 Ų2579%0.78814%0.142SC*.THydrogen-bonded Turntrans626.2-171.5-52176.564.800115.6G679 Y833M677-G679 PolarHBondContact O-N 3.28Å; M677-Y833 WeakPolarHBondContact O-CE1 3.26Å
678G82.2Confident90.9Very high1 Ų122.8 Ų22.81%0.0113%0.131CC..SBendtrans-67.6-18.5175.400000114P675 N676 V809 Y833P675-G678 PolarHBondContact O-N 3.42Å; P675-G678 VanDerWaalsContact O-N 3.16Å; N676-G678 PolarHBondContact O-N 3.13Å; N676-G678 VanDerWaalsContact O-N 3.09Å; G678-V809 WeakPolarHBondContact O-CG1 3.11Å; G678-Y833 WeakPolarHBondContact O-CD1 3.25Å
679G88.3Confident90.9Very high18 Ų1822.4 Ų22.419%0.18613%0.129CC..SBendtrans104.816.9-177.900000115M677 T682 Y683M677-G679 PolarHBondContact O-N 3.28Å; G679-T682 PolarHBondContact O-N 3.03Å; G679-Y683 WeakPolarHBondContact O-CB 3.48Å; G679-Y683 PolarHBondContact O-N 3.35Å
680K91Very high90.9Very high9 Ų922.4 Ų22.44%0.03913%0.129CC..Hα-helixtrans-54.4-56176.7-58.6-171.3-61.9-81.90112.2I672 G674 P675 T682 Y683 I684 A787 V809I672-K680 HydrophobicContact CG2-CB 4.49Å; I672-K680 HydrophobicContact CG2-CG 4.28Å; G674-K680 PolarHBondContact O-NZ 3.19Å; P675-K680 PolarHBondContact O-NZ 3.47Å; K680-T682 VanDerWaalsContact C-N 3.34Å; K680-T682 PolarHBondContact O-N 2.67Å; K680-Y683 WeakPolarHBondContact O-CB 3.46Å; K680-Y683 PolarHBondContact O-N 3.13Å; K680-I684 PolarHBondContact O-N 3.13Å; K680-I684 VanDerWaalsContact O-N 3.17Å; K680-A787 HydrophobicContact CB-CB 3.96Å; K680-V809 HydrophobicContact CG-CG2 3.78Å
681S90.3Very high90.9Very high41 Ų4122.3 Ų22.329%0.28713%0.128SC..Hα-helixtrans-61.1-42.6178.7-43.50000111.7Y683 I684 H685 D753S681-Y683 VanDerWaalsContact C-N 3.32Å; S681-Y683 PolarHBondContact O-N 3.2Å; S681-I684 WeakPolarHBondContact O-CG1 3.42Å; S681-I684 PolarHBondContact O-N 3.2Å; S681-H685 WeakPolarHBondContact O-CB 3.34Å; S681-H685 PolarHBondContact O-CD2 3.25Å; S681-H685 PolarHBondContact O-N 2.91Å; S681-D753 WeakPolarHBondContact CB-OD2 3.32Å; S681-D753 VanDerWaalsContact OG-CG 3.3Å; S681-D753 PolarHBondContact OG-OD1 2.7Å; S681-D753 PolarHBondContact OG-OD2 3.18Å
682T91.5Very high90.9Very high58 Ų5822.3 Ų22.336%0.35613%0.129SC..Hα-helixtrans-59.1-43.1176-54.50000111.9H644 L647 G679 K680 S686H644-T682 HydrophobicContact CB-CG2 4.46Å; L647-T682 HydrophobicContact CD1-CG2 3.32Å; G679-T682 PolarHBondContact O-N 3.03Å; K680-T682 VanDerWaalsContact C-N 3.34Å; K680-T682 PolarHBondContact O-N 2.67Å; T682-S686 WeakPolarHBondContact O-CB 3.37Å; T682-S686 PolarHBondContact O-N 2.76Å; T682-S686 PolarHBondContact O-OG 3.31Å
683Y94.2Very high91Very high8 Ų822.4 Ų22.43%0.03113%0.129CC..Hα-helixtrans-62.4-50.8179.3174.7-101.4000111.5N658 D659 I660 I672 G679 K680 S681 H685 S686 V687 L807 V835N658-Y683 HydrophobicContact CB-CD2 3.8Å; N658-Y683 HydrophobicContact CB-CE2 3.75Å; D659-Y683 PolarHBondContact O-OH 2.76Å; D659-Y683 VanDerWaalsContact O-OH 3.13Å; I660-Y683 HydrophobicContact CD1-CE2 4.02Å; I660-Y683 HydrophobicContact CG1-CE2 3.68Å; I660-Y683 WeakPolarHBondContact CG1-OH 3.32Å; I672-Y683 HydrophobicContact CD1-CE1 4.4Å; I672-Y683 HydrophobicContact CG1-CD1 4.13Å; I672-Y683 HydrophobicContact CG1-CE1 4.02Å; G679-Y683 WeakPolarHBondContact O-CB 3.48Å; G679-Y683 PolarHBondContact O-N 3.35Å; K680-Y683 WeakPolarHBondContact O-CB 3.46Å; K680-Y683 PolarHBondContact O-N 3.13Å; S681-Y683 VanDerWaalsContact C-N 3.32Å; S681-Y683 PolarHBondContact O-N 3.2Å; Y683-H685 PolarHBondContact O-N 3.1Å; Y683-S686 WeakPolarHBondContact O-CB 3.28Å; Y683-S686 PolarHBondContact O-N 2.87Å; Y683-V687 PolarHBondContact O-N 2.92Å; Y683-L807 HydrophobicContact CE1-CD1 4.08Å; Y683-L807 WeakPolarHBondContact OH-CD1 3.49Å; Y683-V835 HydrophobicContact CD1-CG2 4.47Å; Y683-V835 HydrophobicContact CD2-CB 4.28Å; Y683-V835 HydrophobicContact CD2-CG2 3.62Å; Y683-V835 HydrophobicContact CE1-CG1 4.41Å; Y683-V835 HydrophobicContact CE2-CB 4.12Å; Y683-V835 HydrophobicContact CE2-CG1 4.3Å; Y683-V835 HydrophobicContact CE2-CG2 3.98Å; Y683-V835 HydrophobicContact CG-CG2 3.88Å
684I93.6Very high91.3Very high1 Ų122.3 Ų22.31%0.00513%0.129CC..Hα-helixtrans-66-38.3-179.661.9173.1000112.4I672 K680 S681 V687 A688 D753 L785 A787I672-I684 HydrophobicContact CD1-CG2 3.74Å; K680-I684 PolarHBondContact O-N 3.13Å; K680-I684 VanDerWaalsContact O-N 3.17Å; S681-I684 WeakPolarHBondContact O-CG1 3.42Å; S681-I684 PolarHBondContact O-N 3.2Å; I684-V687 PolarHBondContact O-N 3.46Å; I684-A688 PolarHBondContact O-N 3Å; I684-D753 HydrophobicContact CD1-CB 3.85Å; I684-L785 HydrophobicContact CB-CB 4.14Å; I684-L785 HydrophobicContact CB-CD1 4.15Å; I684-L785 HydrophobicContact CG2-CB 3.69Å; I684-L785 HydrophobicContact CG2-CD1 4.23Å; I684-A787 HydrophobicContact CD1-CB 3.92Å; I684-A787 HydrophobicContact CG2-CB 4.4Å
685H92.6Very high91.8Very high27 Ų2721.7 Ų21.713%0.12512%0.122CC..Hα-helixtrans-66.9-38.7176.5-69.4-174.4000111.5A312 S681 Y683 V687 A688 V689A312-H685 PolarHBondContact O-CE1 2.69Å; A312-H685 PolarHBondContact O-ND1 2.78Å; S681-H685 WeakPolarHBondContact O-CB 3.34Å; S681-H685 PolarHBondContact O-CD2 3.25Å; S681-H685 PolarHBondContact O-N 2.91Å; Y683-H685 PolarHBondContact O-N 3.1Å; H685-V687 VanDerWaalsContact C-N 3.29Å; H685-V687 PolarHBondContact O-N 3.31Å; H685-A688 PolarHBondContact O-N 3.5Å; H685-V689 WeakPolarHBondContact O-CB 3.39Å; H685-V689 VanDerWaalsContact O-CG2 3.31Å; H685-V689 WeakPolarHBondContact O-CG2 3.36Å; H685-V689 PolarHBondContact O-N 2.79Å
686S93.8Very high92.4Very high10 Ų1021.1 Ų21.17%0.0712%0.119CC..Hα-helixtrans-57.1-43.4177.8-58.90000111.5H644 T682 Y683 I690H644-S686 VanDerWaalsContact CB-OG 3.3Å; H644-S686 WeakPolarHBondContact CB-OG 3.36Å; H644-S686 PolarHBondContact CD2-OG 2.83Å; T682-S686 WeakPolarHBondContact O-CB 3.37Å; T682-S686 PolarHBondContact O-N 2.76Å; T682-S686 PolarHBondContact O-OG 3.31Å; Y683-S686 WeakPolarHBondContact O-CB 3.28Å; Y683-S686 PolarHBondContact O-N 2.87Å; S686-I690 WeakPolarHBondContact O-CB 3.34Å; S686-I690 WeakPolarHBondContact O-CD1 3.41Å; S686-I690 WeakPolarHBondContact O-CG1 3.35Å; S686-I690 PolarHBondContact O-N 2.88Å
687V95.6Very high93.1Very high0 Ų016 Ų160%09%0.091CC..Hα-helixtrans-62.1-51.7178.8-178.70000111.1L639 I660 Y683 I684 H685 V689 I690 V691 L749 L785L639-V687 HydrophobicContact CD1-CG1 4.18Å; I660-V687 HydrophobicContact CB-CG2 4.32Å; I660-V687 HydrophobicContact CD1-CG2 3.77Å; I660-V687 HydrophobicContact CG1-CG2 3.53Å; I660-V687 HydrophobicContact CG2-CG1 4.39Å; I660-V687 HydrophobicContact CG2-CG2 4.08Å; Y683-V687 PolarHBondContact O-N 2.92Å; I684-V687 PolarHBondContact O-N 3.46Å; H685-V687 VanDerWaalsContact C-N 3.29Å; H685-V687 PolarHBondContact O-N 3.31Å; V687-V689 VanDerWaalsContact C-N 3.34Å; V687-V689 PolarHBondContact O-N 2.94Å; V687-I690 PolarHBondContact O-N 3.47Å; V687-V691 HydrophobicContact CG1-CG2 4.45Å; V687-V691 WeakPolarHBondContact O-CG2 3.34Å; V687-V691 PolarHBondContact O-N 3.28Å; V687-L749 HydrophobicContact CG1-CD2 4.45Å; V687-L785 HydrophobicContact CB-CD1 3.64Å; V687-L785 HydrophobicContact CG1-CD1 3.9Å; V687-L785 HydrophobicContact CG2-CD1 3.78Å
688A94.6Very high93.9Very high0 Ų08.3 Ų8.30%05%0.053CC..Hα-helixtrans-62.6-40.2-178.500000112.2L313 I684 H685 V691 A692 I713 L749 I751L313-A688 HydrophobicContact CD1-CB 4.1Å; L313-A688 HydrophobicContact CD2-CB 3.38Å; L313-A688 HydrophobicContact CG-CB 4.39Å; I684-A688 PolarHBondContact O-N 3Å; H685-A688 PolarHBondContact O-N 3.5Å; A688-V691 PolarHBondContact O-N 3.18Å; A688-A692 WeakPolarHBondContact O-CB 3.44Å; A688-A692 PolarHBondContact O-N 2.81Å; A688-I713 HydrophobicContact CB-CG2 3.9Å; A688-L749 HydrophobicContact CB-CD2 4.15Å; A688-I751 HydrophobicContact CB-CD1 4.02Å; A688-I751 HydrophobicContact CB-CG2 4.19Å
689V95.3Very high94.7Very high0 Ų08.8 Ų8.80%06%0.055CC..Hα-helixtrans-62.8-44.9173.7168.10000111.5L313 V328 P645 H685 V687 V691 A692 M693L313-V689 HydrophobicContact CB-CG2 4.06Å; L313-V689 HydrophobicContact CD2-CG2 4.15Å; V328-V689 HydrophobicContact CG1-CG1 4.35Å; V328-V689 HydrophobicContact CG2-CB 4.48Å; V328-V689 HydrophobicContact CG2-CG1 3.55Å; V328-V689 HydrophobicContact CG2-CG2 4.06Å; P645-V689 HydrophobicContact CG-CG1 3.51Å; H685-V689 WeakPolarHBondContact O-CB 3.39Å; H685-V689 VanDerWaalsContact O-CG2 3.31Å; H685-V689 WeakPolarHBondContact O-CG2 3.36Å; H685-V689 PolarHBondContact O-N 2.79Å; V687-V689 VanDerWaalsContact C-N 3.34Å; V687-V689 PolarHBondContact O-N 2.94Å; V689-V691 VanDerWaalsContact C-N 3.34Å; V689-V691 PolarHBondContact O-N 3.48Å; V689-A692 PolarHBondContact O-N 2.91Å; V689-M693 HydrophobicContact CG1-CG 4.33Å; V689-M693 HydrophobicContact CG1-SD 3.98Å; V689-M693 WeakPolarHBondContact O-CB 3.3Å; V689-M693 VanDerWaalsContact O-CG 3.28Å; V689-M693 WeakPolarHBondContact O-CG 3.44Å; V689-M693 PolarHBondContact O-N 3.43Å
690I96.7Very high95.1Very high0 Ų08 Ų80%05%0.046CC..Hα-helixtrans-63.8-40.5179.6-73.1165000111.3L639 A642 S686 V687 M693 A694 V700 P701 I707L639-I690 HydrophobicContact CD1-CB 4.18Å; L639-I690 HydrophobicContact CD1-CD1 4.23Å; L639-I690 HydrophobicContact CD1-CG2 3.77Å; L639-I690 HydrophobicContact CD2-CG2 3.82Å; L639-I690 HydrophobicContact CG-CG2 4.45Å; A642-I690 HydrophobicContact CB-CD1 3.67Å; S686-I690 WeakPolarHBondContact O-CB 3.34Å; S686-I690 WeakPolarHBondContact O-CD1 3.41Å; S686-I690 WeakPolarHBondContact O-CG1 3.35Å; S686-I690 PolarHBondContact O-N 2.88Å; V687-I690 PolarHBondContact O-N 3.47Å; I690-M693 PolarHBondContact O-N 3.04Å; I690-A694 PolarHBondContact O-N 2.77Å; I690-V700 HydrophobicContact CG2-CB 3.98Å; I690-V700 HydrophobicContact CG2-CG1 3.98Å; I690-P701 HydrophobicContact CD1-CG 4.17Å; I690-P701 HydrophobicContact CG1-CG 3.91Å; I690-I707 HydrophobicContact CG2-CD1 4.21Å
691V96.5Very high95.3Very high0 Ų07.5 Ų7.50%05%0.045CC..Hα-helixtrans-63.8-46175.7172.30000110.7I637 V687 A688 V689 M693 A694 Q695 I707 V710 I713 L749I637-V691 HydrophobicContact CD1-CG2 4.46Å; I637-V691 HydrophobicContact CG2-CG2 4.22Å; V687-V691 HydrophobicContact CG1-CG2 4.45Å; V687-V691 WeakPolarHBondContact O-CG2 3.34Å; V687-V691 PolarHBondContact O-N 3.28Å; A688-V691 PolarHBondContact O-N 3.18Å; V689-V691 VanDerWaalsContact C-N 3.34Å; V689-V691 PolarHBondContact O-N 3.48Å; V691-M693 VanDerWaalsContact C-N 3.34Å; V691-M693 PolarHBondContact O-N 2.88Å; V691-A694 PolarHBondContact O-N 2.95Å; V691-Q695 PolarHBondContact O-N 3.31Å; V691-I707 HydrophobicContact CG1-CG2 4.35Å; V691-I707 HydrophobicContact CG2-CG2 4.33Å; V691-V710 HydrophobicContact CG1-CG1 4.2Å; V691-V710 HydrophobicContact CG1-CG2 3.72Å; V691-I713 HydrophobicContact CG1-CD1 4.22Å; V691-L749 HydrophobicContact CB-CD2 4.3Å; V691-L749 HydrophobicContact CG1-CD2 4.49Å; V691-L749 HydrophobicContact CG2-CD2 4.14Å
692A95.5Very high95.6Very high1 Ų15.6 Ų5.61%0.0083%0.031CC..Hα-helixtrans-59.1-44.4174.200000111.7L315 A688 V689 A694 Q695 I696 I713L315-A692 HydrophobicContact CD2-CB 4.25Å; A688-A692 WeakPolarHBondContact O-CB 3.44Å; A688-A692 PolarHBondContact O-N 2.81Å; V689-A692 PolarHBondContact O-N 2.91Å; A692-A694 PolarHBondContact O-N 3.35Å; A692-Q695 PolarHBondContact O-N 3.13Å; A692-I696 WeakPolarHBondContact O-CG2 3.48Å; A692-I696 PolarHBondContact O-N 2.92Å; A692-I713 HydrophobicContact CB-CD1 3.91Å
693M96.6Very high95.7Very high1 Ų15.4 Ų5.41%0.0053%0.032CC..Hα-helixtrans-59.9-42.1176.4-76.5-179.957.500112.8V328 L332 Y624 P645 V689 I690 V691 I696 S698 F699 V700V328-M693 HydrophobicContact CG1-CG 4.05Å; V328-M693 HydrophobicContact CG1-SD 4.22Å; L332-M693 HydrophobicContact CD1-CE 4.49Å; L332-M693 HydrophobicContact CD1-CG 4.26Å; L332-M693 HydrophobicContact CD2-CE 3.92Å; Y624-M693 HydrophobicContact CD2-CE 4.13Å; Y624-M693 HydrophobicContact CE2-CE 3.83Å; P645-M693 HydrophobicContact CB-SD 4.08Å; P645-M693 HydrophobicContact CG-SD 3.69Å; V689-M693 HydrophobicContact CG1-CG 4.33Å; V689-M693 HydrophobicContact CG1-SD 3.98Å; V689-M693 WeakPolarHBondContact O-CB 3.3Å; V689-M693 VanDerWaalsContact O-CG 3.28Å; V689-M693 WeakPolarHBondContact O-CG 3.44Å; V689-M693 PolarHBondContact O-N 3.43Å; I690-M693 PolarHBondContact O-N 3.04Å; V691-M693 VanDerWaalsContact C-N 3.34Å; V691-M693 PolarHBondContact O-N 2.88Å; M693-I696 WeakPolarHBondContact O-CG1 3.28Å; M693-S698 VanDerWaalsContact O-CB 3.29Å; M693-S698 WeakPolarHBondContact O-CB 3.48Å; M693-S698 PolarHBondContact O-N 3.16Å; M693-F699 VanDerWaalsContact CE-O 3.27Å; M693-F699 WeakPolarHBondContact CE-O 3.49Å; M693-V700 HydrophobicContact CB-CG1 4.22Å
694A97.2Very high95.9Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-63.6-44.1176.300000111.4I358 P627 I629 I690 V691 A692 I696 G697 V700 I707I358-A694 VanDerWaalsContact CG2-O 3.28Å; I358-A694 WeakPolarHBondContact CG2-O 3.39Å; P627-A694 HydrophobicContact CB-CB 4.18Å; P627-A694 HydrophobicContact CG-CB 3.88Å; I629-A694 HydrophobicContact CD1-CB 4.32Å; I690-A694 PolarHBondContact O-N 2.77Å; V691-A694 PolarHBondContact O-N 2.95Å; A692-A694 PolarHBondContact O-N 3.35Å; A694-I696 PolarHBondContact O-N 3.37Å; A694-G697 PolarHBondContact O-N 3.31Å; A694-V700 HydrophobicContact CB-CG1 4.04Å; A694-I707 HydrophobicContact CB-CD1 3.41Å; A694-I707 VanDerWaalsContact CB-CD1 3.41Å
695Q96.6Very high96Very high0 Ų09.6 Ų9.60%05%0.049CC..Hα-helixtrans-75.2-17.9-177.9-76.8-175.2-105.300114.8P351 L352 I358 V691 A692 P709 V710P351-Q695 HydrophobicContact CB-CB 3.78Å; L352-Q695 WeakPolarHBondContact CB-O 3.4Å; L352-Q695 PolarHBondContact N-O 2.95Å; L352-Q695 WeakPolarHBondContact O-CB 3.37Å; L352-Q695 PolarHBondContact O-NE2 3.35Å; I358-Q695 HydrophobicContact CD1-CB 4.44Å; I358-Q695 HydrophobicContact CD1-CG 4.07Å; V691-Q695 PolarHBondContact O-N 3.31Å; A692-Q695 PolarHBondContact O-N 3.13Å; Q695-P709 HydrophobicContact CG-CB 4.48Å; Q695-V710 PolarHBondContact NE2-O 3.32Å
696I96.3Very high96.3Very high0 Ų08.6 Ų8.60%04%0.044CC..Hα-helixtrans-75.4-14.9165.864.8166.5000112.7L332 W347 L348 P351 R361 L612 A692 M693 A694L332-I696 HydrophobicContact CD1-CD1 3.78Å; W347-I696 HydrophobicContact CB-CB 4.33Å; W347-I696 HydrophobicContact CB-CG2 4.32Å; W347-I696 WeakPolarHBondContact O-CG2 3.37Å; L348-I696 HydrophobicContact CD2-CD1 3.92Å; L348-I696 HydrophobicContact CD2-CG2 4.4Å; L348-I696 HydrophobicContact CG-CD1 4.45Å; P351-I696 HydrophobicContact CB-CG2 4.08Å; P351-I696 HydrophobicContact CG-CG2 4.25Å; R361-I696 VanDerWaalsContact CD-O 3.23Å; R361-I696 WeakPolarHBondContact CD-O 3.21Å; R361-I696 PolarHBondContact NH1-O 2.86Å; L612-I696 HydrophobicContact CD2-CD1 4.44Å; A692-I696 WeakPolarHBondContact O-CG2 3.48Å; A692-I696 PolarHBondContact O-N 2.92Å; M693-I696 WeakPolarHBondContact O-CG1 3.28Å; A694-I696 PolarHBondContact O-N 3.37Å
697G97Very high96.4Very high0 Ų08.1 Ų8.10%04%0.041CC..THydrogen-bonded Turntrans93.326.2-174.100000114.3L362 A694L362-G697 WeakPolarHBondContact CD2-O 3.2Å; A694-G697 PolarHBondContact O-N 3.31Å
698S97.3Very high96.4Very high0 Ų08.1 Ų8.10%04%0.041CC..  trans-95.8154.2175.7-177.20000111.8L362 M693L362-S698 WeakPolarHBondContact CD2-O 3.31Å; M693-S698 VanDerWaalsContact O-CB 3.29Å; M693-S698 WeakPolarHBondContact O-CB 3.48Å; M693-S698 PolarHBondContact O-N 3.16Å
699F97.6Very high96.4Very high11 Ų118.4 Ų8.45%0.0484%0.043CC..  trans-67.1155.2162.9-77.426.9000109.9L362 V365 E366 V369 A616 I625 R626 M693L362-F699 HydrophobicContact CD2-CD1 4.01Å; L362-F699 HydrophobicContact CD2-CE1 4.32Å; V365-F699 HydrophobicContact CB-CD1 4.3Å; V365-F699 HydrophobicContact CB-CE1 4.13Å; V365-F699 HydrophobicContact CG1-CD1 3.62Å; V365-F699 HydrophobicContact CG1-CE1 3.75Å; V365-F699 HydrophobicContact CG1-CG 4.23Å; V365-F699 HydrophobicContact CG1-CZ 4.44Å; E366-F699 HydrophobicContact CB-CE1 4.15Å; E366-F699 HydrophobicContact CB-CZ 3.73Å; E366-F699 HydrophobicContact CG-CZ 4.11Å; V369-F699 HydrophobicContact CB-CE2 4.35Å; V369-F699 HydrophobicContact CG1-CE2 4.19Å; V369-F699 HydrophobicContact CG2-CD2 4.32Å; V369-F699 HydrophobicContact CG2-CE2 4.04Å; V369-F699 HydrophobicContact CG2-CZ 4.4Å; A616-F699 HydrophobicContact CB-CB 3.88Å; A616-F699 HydrophobicContact CB-CD2 4.08Å; A616-F699 HydrophobicContact CB-CG 4.22Å; I625-F699 WeakPolarHBondContact O-CA 3.49Å; I625-F699 WeakPolarHBondContact O-CB 3.46Å; R626-F699 HydrophobicContact CB-CD1 4.24Å; R626-F699 HydrophobicContact CB-CD2 4.49Å; R626-F699 HydrophobicContact CB-CE1 3.77Å; R626-F699 HydrophobicContact CB-CE2 4.04Å; R626-F699 HydrophobicContact CB-CZ 3.65Å; R626-F699 HydrophobicContact CG-CD1 4.48Å; R626-F699 HydrophobicContact CG-CE1 3.89Å; R626-F699 HydrophobicContact CG-CZ 4.16Å; M693-F699 VanDerWaalsContact CE-O 3.27Å; M693-F699 WeakPolarHBondContact CE-O 3.49Å
700V97.2Very high96.3Very high0 Ų08.4 Ų8.40%04%0.043CC..BIsolated β-bridgetrans-119.9147.1-170.8-63.50000113.3Y624 I625 P627 I690 M693 A694 C702 A705Y624-V700 CarbonylContact C-O 3.57Å; Y624-V700 VanDerWaalsContact CA-O 3.31Å; Y624-V700 WeakPolarHBondContact CA-O 3.43Å; Y624-V700 WeakPolarHBondContact CB-O 3.42Å; I625-V700 HydrophobicContact CD1-CG2 3.9Å; I625-V700 HydrophobicContact CG1-CG2 4.37Å; I625-V700 PolarHBondContact N-O 2.89Å; I625-V700 PolarHBondContact O-N 3.12Å; P627-V700 HydrophobicContact CB-CG1 4.39Å; P627-V700 HydrophobicContact CB-CG2 3.99Å; P627-V700 HydrophobicContact CG-CG1 4.16Å; P627-V700 HydrophobicContact CG-CG2 4.36Å; I690-V700 HydrophobicContact CG2-CB 3.98Å; I690-V700 HydrophobicContact CG2-CG1 3.98Å; M693-V700 HydrophobicContact CB-CG1 4.22Å; A694-V700 HydrophobicContact CB-CG1 4.04Å; V700-C702 HydrophobicContact CG2-CB 4.32Å; V700-C702 PolarHBondContact O-N 3.16Å; V700-A705 HydrophobicContact CG2-CB 3.62Å
701P95.9Very high96.2Very high0 Ų09.8 Ų9.80%05%0.05CC..SBendtrans-7663.2-179.633-39.7000113.1Y624 R643 P645 I690Y624-P701 HydrophobicContact CD1-CB 3.77Å; Y624-P701 HydrophobicContact CE1-CB 3.49Å; Y624-P701 VanDerWaalsContact CE1-CB 3.49Å; Y624-P701 HydrophobicContact CE1-CG 4.48Å; Y624-P701 HydrophobicContact CG-CB 4.44Å; R643-P701 HydrophobicContact CB-CB 4.28Å; R643-P701 PolarHBondContact N-O 3.19Å; R643-P701 WeakPolarHBondContact O-CG 3.31Å; P645-P701 HydrophobicContact CB-CG 4.26Å; I690-P701 HydrophobicContact CD1-CG 4.17Å; I690-P701 HydrophobicContact CG1-CG 3.91Å
702C95.4Very high96Very high0 Ų09.8 Ų9.80%05%0.05CC..SBendtrans-131.8166.9178.6-59.80000109.7I625 K640 V700 A705I625-C702 HydrophobicContact CD1-CB 4.4Å; I625-C702 HydrophobicContact CG1-CB 4.2Å; I625-C702 WeakPolarHBondContact CG1-O 3.34Å; I625-C702 WeakPolarHBondContact CG2-O 3.43Å; K640-C702 WeakPolarHBondContact O-CB 3.34Å; V700-C702 HydrophobicContact CG2-CB 4.32Å; V700-C702 PolarHBondContact O-N 3.16Å; C702-A705 HydrophobicContact CB-CB 4.28Å
703S95Very high95.9Very high55 Ų559.7 Ų9.739%0.3855%0.05SC..SBendtrans-86.9-24.9162.758.10000112.2K640 E641K640-S703 PolarHBondContact O-N 3Å; K640-S703 PolarHBondContact O-OG 2.87Å; E641-S703 WeakPolarHBondContact CB-OG 3.48Å; E641-S703 WeakPolarHBondContact OE2-CB 3.46Å; E641-S703 PolarHBondContact OE2-OG 3.35Å
704Y96.9Very high95.5Very high93 Ų9310 Ų1037%0.3655%0.052SC..EExtended strand (participates in β ladder)trans-152.8140173.1177.1-96.9000110.1I638 K640 E706I638-Y704 HydrophobicContact CG2-CD1 4.46Å; I638-Y704 HydrophobicContact CG2-CE1 4.37Å; K640-Y704 HydrophobicContact CD-CD1 4.22Å; K640-Y704 HydrophobicContact CD-CG 4.47Å; K640-Y704 HydrophobicContact CG-CD1 4.19Å; K640-Y704 PolarHBondContact N-O 2.8Å; Y704-E706 HydrophobicContact CE1-CG 3.7Å; Y704-E706 VanDerWaalsContact OH-CG 3.27Å; Y704-E706 WeakPolarHBondContact OH-CG 3.31Å; Y704-E706 PolarHBondContact OH-OE1 3.38Å; Y704-E706 PolarHBondContact OH-OE2 2.83Å
705A97.5Very high95Very high3 Ų310.1 Ų10.13%0.0255%0.052CC..EExtended strand (participates in β ladder)trans-143.6126.7178.200000111.9I625 P627 K628 I638 L639 V700 C702 I707I625-A705 HydrophobicContact CD1-CB 3.78Å; P627-A705 HydrophobicContact CB-CB 4.07Å; K628-A705 PolarHBondContact N-O 2.89Å; I638-A705 CarbonylContact O-C 3.57Å; I638-A705 VanDerWaalsContact O-CA 3.32Å; I638-A705 WeakPolarHBondContact O-CA 3.45Å; L639-A705 HydrophobicContact CD2-CB 3.78Å; V700-A705 HydrophobicContact CG2-CB 3.62Å; C702-A705 HydrophobicContact CB-CB 4.28Å; A705-I707 HydrophobicContact CB-CD1 4.45Å
706E97Very high94.1Very high6 Ų610.3 Ų10.33%0.0285%0.053CC..EExtended strand (participates in β ladder)trans-120.2124.4164.7-70.6-171.2136.600108.7K628 L630 R636 I637 I638 Y704K628-E706 HydrophobicContact CB-CG 4.14Å; K628-E706 HydrophobicContact CD-CG 4.15Å; K628-E706 WeakPolarHBondContact CD-OE1 3.35Å; K628-E706 HydrophobicContact CG-CG 4.48Å; K628-E706 IonicContact NZ-OE1 3.36Å; K628-E706 PolarHBondContact NZ-OE1 2.91Å; K628-E706 WeakPolarHBondContact O-CA 3.29Å; L630-E706 HydrophobicContact CD1-CB 4.03Å; L630-E706 HydrophobicContact CG-CB 4.37Å; R636-E706 IonicContact CZ-OE1 2.79Å; R636-E706 IonicContact CZ-OE2 3.89Å; R636-E706 IonicContact NE-OE2 2.75Å; R636-E706 PolarHBondContact NE-OE2 2.89Å; R636-E706 IonicContact NH1-OE2 3.45Å; R636-E706 IonicContact NH2-OE1 3.59Å; R636-E706 PolarHBondContact NH2-OE1 2.99Å; R636-E706 IonicContact NH2-OE2 3.51Å; R636-E706 PolarHBondContact NH2-OE2 3.11Å; I637-E706 CarbonylContact C-O 3.59Å; I637-E706 WeakPolarHBondContact CA-O 3.39Å; I638-E706 HydrophobicContact CB-CB 4.4Å; I638-E706 PolarHBondContact N-O 2.88Å; I638-E706 PolarHBondContact O-N 2.88Å; Y704-E706 HydrophobicContact CE1-CG 3.7Å; Y704-E706 VanDerWaalsContact OH-CG 3.27Å; Y704-E706 WeakPolarHBondContact OH-CG 3.31Å; Y704-E706 PolarHBondContact OH-OE1 3.38Å; Y704-E706 PolarHBondContact OH-OE2 2.83Å
707I96.7Very high92.5Very high0 Ų012.1 Ų12.10%06%0.064CC..EExtended strand (participates in β ladder)trans-134.4121.6-172.7-60.4169.4000108.4P627 K628 I629 L630 I637 L639 I690 V691 A694 A705P627-I707 HydrophobicContact CB-CD1 4.15Å; K628-I707 PolarHBondContact O-N 3.36Å; I629-I707 WeakPolarHBondContact CA-O 3.12Å; L630-I707 PolarHBondContact N-O 2.84Å; I637-I707 HydrophobicContact CG2-CG1 4.48Å; L639-I707 HydrophobicContact CD2-CD1 3.88Å; L639-I707 HydrophobicContact CD2-CG1 3.87Å; I690-I707 HydrophobicContact CG2-CD1 4.21Å; V691-I707 HydrophobicContact CG1-CG2 4.35Å; V691-I707 HydrophobicContact CG2-CG2 4.33Å; A694-I707 HydrophobicContact CB-CD1 3.41Å; A694-I707 VanDerWaalsContact CB-CD1 3.41Å; A705-I707 HydrophobicContact CB-CD1 4.45Å
708M95.2Very high90.7Very high0 Ų013.6 Ų13.60%08%0.079CC..PPolyproline II helixtrans-74.9127.5160.5-173.2-159.68500108.3R636 V710 N747 F783R636-M708 PolarHBondContact O-N 2.99Å; R636-M708 VanDerWaalsContact O-N 3.13Å; M708-V710 PolarHBondContact O-N 3.25Å; M708-N747 HydrophobicContact CE-CB 3.9Å; M708-F783 HydrophobicContact CE-CD2 4.39Å; M708-F783 HydrophobicContact CE-CE2 3.63Å; M708-F783 HydrophobicContact SD-CE2 4.16Å
709P94.5Very high88.6Confident7 Ų714.2 Ų14.25%0.0458%0.084CC..PPolyproline II helixtrans-53128.1172.1-25.234.5000110.8I353 I358 I629 L630 Q695I353-P709 WeakPolarHBondContact O-CB 3.49Å; I358-P709 HydrophobicContact CD1-CB 4.42Å; I358-P709 HydrophobicContact CD1-CG 4.2Å; I629-P709 HydrophobicContact CG2-CG 3.57Å; L630-P709 WeakPolarHBondContact O-CD 3.31Å; Q695-P709 HydrophobicContact CG-CB 4.48Å
710V94.8Very high86.3Confident0 Ų017.1 Ų17.10%011%0.11CC..PPolyproline II helixtrans-94151.3174.9-56.40000109.9V303 I637 V691 Q695 M708 I713 N747 L749V303-V710 HydrophobicContact CG1-CG2 4.47Å; V303-V710 WeakPolarHBondContact CG2-O 3.2Å; I637-V710 HydrophobicContact CD1-CG1 4.1Å; V691-V710 HydrophobicContact CG1-CG1 4.2Å; V691-V710 HydrophobicContact CG1-CG2 3.72Å; Q695-V710 PolarHBondContact NE2-O 3.32Å; M708-V710 PolarHBondContact O-N 3.25Å; V710-I713 HydrophobicContact CG2-CD1 4.31Å; V710-I713 HydrophobicContact CG2-CG1 3.68Å; V710-N747 WeakPolarHBondContact CA-O 3.34Å; V710-N747 WeakPolarHBondContact CB-O 3.19Å; V710-N747 WeakPolarHBondContact CG1-O 3.48Å; V710-L749 HydrophobicContact CG1-CB 4.19Å; V710-L749 HydrophobicContact CG2-CB 4.41Å
711D93.2Very high84Confident28 Ų2821.8 Ų21.815%0.1514%0.135CC..SBendtrans-85.9-22.2177.572.6-41.8000112.5V303 R304 I353 T745 S748V303-D711 WeakPolarHBondContact CA-O 3.46Å; R304-D711 IonicContact CZ-OD2 3.5Å; R304-D711 PolarHBondContact N-O 3.05Å; R304-D711 IonicContact NH2-OD2 3.89Å; R304-D711 PolarHBondContact NH2-OD2 2.91Å; I353-D711 HydrophobicContact CD1-CB 4.38Å; D711-T745 PolarHBondContact OD1-OG1 3.31Å; D711-T745 VanDerWaalsContact OD2-CG2 3.28Å; D711-T745 WeakPolarHBondContact OD2-CG2 3.49Å; D711-T745 PolarHBondContact OD2-OG1 3.39Å; D711-S748 WeakPolarHBondContact OD1-CA 3.27Å; D711-S748 WeakPolarHBondContact OD1-CB 3.4Å; D711-S748 PolarHBondContact OD1-N 3.04Å; D711-S748 PolarHBondContact OD1-OG 2.86Å; D711-S748 PolarHBondContact OD2-OG 2.84Å
712A92.3Very high82.1Confident0 Ų022.5 Ų22.50%014%0.138CC..EExtended strand (participates in β ladder)trans-151.3146-18000000111.3R304 M714 L749R304-A712 HydrophobicContact CB-CB 3.87Å; R304-A712 VanDerWaalsContact O-CA 3.31Å; R304-A712 WeakPolarHBondContact O-CA 3.01Å; A712-M714 HydrophobicContact CB-CE 3.55Å; A712-M714 HydrophobicContact CB-CG 4.2Å; A712-L749 PolarHBondContact O-N 2.82Å
713I92.9Very high80Confident0 Ų028.8 Ų28.80%017%0.167CC..EExtended strand (participates in β ladder)trans-118.9109.6165.2-57.9168.6000106.7V303 R304 L305 A309 L313 A688 V691 A692 V710 L749V303-I713 HydrophobicContact CG1-CB 4.48Å; V303-I713 HydrophobicContact CG1-CD1 4.3Å; V303-I713 HydrophobicContact CG1-CG1 3.97Å; R304-I713 PolarHBondContact O-N 3.07Å; L305-I713 HydrophobicContact CD2-CB 3.71Å; L305-I713 HydrophobicContact CD2-CD1 4.36Å; L305-I713 HydrophobicContact CD2-CG1 4.41Å; A309-I713 WeakPolarHBondContact CB-O 3.48Å; L313-I713 HydrophobicContact CD1-CG2 3.84Å; A688-I713 HydrophobicContact CB-CG2 3.9Å; V691-I713 HydrophobicContact CG1-CD1 4.22Å; A692-I713 HydrophobicContact CB-CD1 3.91Å; V710-I713 HydrophobicContact CG2-CD1 4.31Å; V710-I713 HydrophobicContact CG2-CG1 3.68Å; I713-L749 WeakPolarHBondContact CA-O 3.44Å; I713-L749 HydrophobicContact CG1-CB 4.49Å
714M89.2Confident77.9Confident8 Ų832.1 Ų32.14%0.03919%0.189CC..EExtended strand (participates in β ladder)trans-111.3134-175-63.2179.6-178.900109.3A712 V740 S743 V744 L749 V750 I751A712-M714 HydrophobicContact CB-CE 3.55Å; A712-M714 HydrophobicContact CB-CG 4.2Å; M714-V740 HydrophobicContact CB-CG1 4.03Å; M714-V740 HydrophobicContact CB-CG2 4.09Å; M714-V740 HydrophobicContact SD-CB 4.47Å; M714-V740 HydrophobicContact SD-CG1 3.98Å; M714-S743 WeakPolarHBondContact CE-O 3.41Å; M714-S743 WeakPolarHBondContact CE-OG 3.43Å; M714-S743 PolarHBondContact SD-OG 2.98Å; M714-V744 HydrophobicContact SD-CB 4.21Å; M714-L749 PolarHBondContact N-O 3.13Å; M714-V750 HydrophobicContact CB-CG2 4.42Å; M714-V750 WeakPolarHBondContact O-CA 3.43Å; M714-I751 WeakPolarHBondContact O-CG1 3.35Å; M714-I751 PolarHBondContact O-N 3.24Å
715A85.8Confident75.7Confident1 Ų133.8 Ų33.81%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-131.7136.6-176.500000111.1A308 A309 A312 V717 I751A308-A715 WeakPolarHBondContact CB-O 3.46Å; A309-A715 VanDerWaalsContact CA-CB 3.5Å; A309-A715 HydrophobicContact CB-CB 3.68Å; A312-A715 HydrophobicContact CB-CB 4.12Å; A715-V717 HydrophobicContact CB-CG2 4.14Å; A715-I751 WeakPolarHBondContact CA-O 3.36Å; A715-I751 HydrophobicContact CB-CD1 3.65Å; A715-I751 HydrophobicContact CB-CG1 3.44Å; A715-I751 VanDerWaalsContact CB-CG1 3.44Å
716R79.4Confident73.8Confident5 Ų537.2 Ų37.22%0.01923%0.23CC..EExtended strand (participates in β ladder)trans-112.3106.3164.8178.1-104.4165.8-161-1.4108.3E733 E736 I751 D753 E754R716-E733 IonicContact CZ-OE1 3.78Å; R716-E733 IonicContact CZ-OE2 3.49Å; R716-E733 IonicContact NH2-OE1 3.66Å; R716-E733 PolarHBondContact NH2-OE1 3.46Å; R716-E733 VanDerWaalsContact NH2-OE1 3.08Å; R716-E733 IonicContact NH2-OE2 2.68Å; R716-E733 PolarHBondContact NH2-OE2 3.08Å; R716-E736 HydrophobicContact CG-CB 4.37Å; R716-I751 PolarHBondContact N-O 2.97Å; R716-D753 PolarHBondContact NH1-O 3.14Å; R716-D753 PolarHBondContact O-N 2.92Å; R716-E754 PolarHBondContact NH1-O 2.71Å; R716-E754 VanDerWaalsContact NH1-O 3.08Å; R716-E754 PolarHBondContact NH2-O 2.91Å
717V62.5Low72.2Confident38 Ų3838.8 Ų38.823%0.2324%0.24CC..  trans-136.7134.8-174.7-176.60000109.6A312 A715A312-V717 HydrophobicContact CB-CB 3.7Å; A312-V717 HydrophobicContact CB-CG1 4.07Å; A312-V717 HydrophobicContact CB-CG2 3.39Å; A715-V717 HydrophobicContact CB-CG2 4.14Å
718G59.2Low71.1Confident31 Ų3142 Ų4232%0.3226%0.263SS..  trans-34.5139.8-159.700000120.9A720G718-A720 VanDerWaalsContact C-N 3.29Å; G718-A720 PolarHBondContact O-N 2.93Å
719A51.9Low70.2Confident13 Ų1344.5 Ų44.511%0.10728%0.278CS..  trans-75.332.2-175.600000117.3D721 Y722 A732A719-D721 PolarHBondContact O-N 3.24Å; A719-D721 VanDerWaalsContact O-N 3.15Å; A719-Y722 HydrophobicContact CB-CD2 3.77Å; A719-Y722 PolarHBondContact O-N 2.89Å; A719-A732 HydrophobicContact CB-CB 3.89Å
720A50.4Low69.6Low71 Ų7146.7 Ų46.759%0.58729%0.287SS*.G310 helixtrans-55.1-38.5-172.300000113.4G718 Y722G718-A720 VanDerWaalsContact C-N 3.29Å; G718-A720 PolarHBondContact O-N 2.93Å; A720-Y722 PolarHBondContact O-N 3.12Å
721D49.3Very low68.9Low98 Ų9850.9 Ų50.952%0.52431%0.309SS..G310 helixtrans-74.5-22.8-175.6-63.5-29.3000114.1R311 A719 Q723R311-D721 IonicContact NH1-OD2 3.1Å; R311-D721 PolarHBondContact NH1-OD2 2.92Å; A719-D721 PolarHBondContact O-N 3.24Å; A719-D721 VanDerWaalsContact O-N 3.15Å; D721-Q723 VanDerWaalsContact C-N 3.28Å; D721-Q723 PolarHBondContact O-N 3.16Å
722Y54.4Low68Low15 Ų1549.5 Ų49.56%0.05930%0.301CS..G310 helixtrans-71.2-24.6-177.6-73.4-75.6000113.1R221 A719 A720 C724 R725 G726 V727 A732 E736R221-Y722 WeakPolarHBondContact CG-OH 3.32Å; R221-Y722 PolarHBondContact NE-OH 3.1Å; A719-Y722 HydrophobicContact CB-CD2 3.77Å; A719-Y722 PolarHBondContact O-N 2.89Å; A720-Y722 PolarHBondContact O-N 3.12Å; Y722-C724 PolarHBondContact O-N 3.18Å; Y722-R725 PolarHBondContact O-N 3.34Å; Y722-G726 PolarHBondContact O-N 3.13Å; Y722-V727 HydrophobicContact CD1-CB 4.42Å; Y722-A732 HydrophobicContact CD1-CB 4.2Å; Y722-A732 HydrophobicContact CD2-CB 3.58Å; Y722-A732 HydrophobicContact CE2-CB 4.01Å; Y722-A732 HydrophobicContact CG-CB 3.67Å; Y722-E736 WeakPolarHBondContact CE2-OE1 3.21Å
723Q51Low67.4Low133 Ų13349.9 Ų49.962%0.62130%0.303SS*.G310 helixtrans-59.7-37.4-179.8-65.1-175.81.400111.9D721 R725 T729D721-Q723 VanDerWaalsContact C-N 3.28Å; D721-Q723 PolarHBondContact O-N 3.16Å; Q723-R725 PolarHBondContact O-N 2.69Å; Q723-T729 HydrophobicContact CG-CG2 3.76Å; Q723-T729 VanDerWaalsContact NE2-CG2 3.34Å
724C50.9Low67Low124 Ų12451.9 Ų51.984%0.83831%0.313SS*.G310 helixtrans-66.9-15.1177.3-68.30000113.4Y722Y722-C724 PolarHBondContact O-N 3.18Å
725R52.5Low66.5Low129 Ų12953.4 Ų53.449%0.48732%0.321SS..G310 helixtrans-110.53.9-173.1-58.2-170.4-174.4169.24.4113.9E220 Y722 Q723 V727E220-R725 PolarHBondContact O-NH1 3.44Å; E220-R725 PolarHBondContact O-NH2 3.06Å; E220-R725 VanDerWaalsContact OE2-CD 3.26Å; E220-R725 WeakPolarHBondContact OE2-CD 3.5Å; E220-R725 IonicContact OE2-CZ 3.43Å; E220-R725 IonicContact OE2-NE 2.69Å; E220-R725 IonicContact OE2-NH1 2.8Å; E220-R725 PolarHBondContact OE2-NH1 3.01Å; Y722-R725 PolarHBondContact O-N 3.34Å; Q723-R725 PolarHBondContact O-N 2.69Å; R725-V727 VanDerWaalsContact C-N 3.35Å; R725-V727 PolarHBondContact O-N 2.72Å
726G56.3Low66.1Low75 Ų7554 Ų5477%0.77332%0.324SS*.THydrogen-bonded Turntrans80.48.2175.500000115.4Y722Y722-G726 PolarHBondContact O-N 3.13Å
727V64.5Low66.5Low39 Ų3954.2 Ų54.224%0.23633%0.326CS..  trans-86.4132.9171.6-177.10000108.6Y722 R725 L731 A732Y722-V727 HydrophobicContact CD1-CB 4.42Å; R725-V727 VanDerWaalsContact C-N 3.35Å; R725-V727 PolarHBondContact O-N 2.72Å; V727-L731 HydrophobicContact CG1-CB 4.18Å; V727-L731 HydrophobicContact CG1-CD2 4.18Å; V727-L731 HydrophobicContact CG1-CG 4.24Å; V727-A732 HydrophobicContact CG1-CB 4.15Å
728S72.3Confident67.5Low67 Ų6754 Ų5447%0.46933%0.325SS..  trans-63.1141.9175.875.50000109.9F730 L731 A732S728-F730 PolarHBondContact O-N 3.38Å; S728-L731 PolarHBondContact O-N 3.38Å; S728-L731 VanDerWaalsContact O-N 3.09Å; S728-L731 WeakPolarHBondContact OG-CB 3.35Å; S728-L731 PolarHBondContact OG-N 3.39Å; S728-L731 VanDerWaalsContact OG-N 3.11Å; S728-A732 PolarHBondContact O-N 2.9Å
729T77.1Confident68.4Low52 Ų5252.9 Ų52.932%0.31931%0.313SS..Hα-helixtrans-55.1-37.9179.747.60000111.9Q723 E733Q723-T729 HydrophobicContact CG-CG2 3.76Å; Q723-T729 VanDerWaalsContact NE2-CG2 3.34Å; T729-E733 WeakPolarHBondContact O-CB 3.26Å; T729-E733 PolarHBondContact O-N 3.39Å; T729-E733 VanDerWaalsContact O-N 3.08Å
730F82.6Confident70Confident53 Ų5352.6 Ų52.623%0.23231%0.31CS..Hα-helixtrans-68.8-41.6177.1-177.6-111.9000113.2S728 E733 M734 T759 L767S728-F730 PolarHBondContact O-N 3.38Å; F730-E733 WeakPolarHBondContact O-CB 3.31Å; F730-E733 PolarHBondContact O-N 2.96Å; F730-M734 HydrophobicContact CD1-CG 4.34Å; F730-M734 HydrophobicContact CD2-CE 4.4Å; F730-M734 HydrophobicContact CD2-CG 4.36Å; F730-M734 HydrophobicContact CE1-CG 3.91Å; F730-M734 HydrophobicContact CE2-CE 3.81Å; F730-M734 HydrophobicContact CE2-CG 3.92Å; F730-M734 HydrophobicContact CE2-SD 3.96Å; F730-M734 HydrophobicContact CZ-CE 4.33Å; F730-M734 HydrophobicContact CZ-CG 3.68Å; F730-M734 HydrophobicContact CZ-SD 3.85Å; F730-M734 WeakPolarHBondContact O-CG 3.39Å; F730-M734 PolarHBondContact O-N 3.06Å; F730-T759 HydrophobicContact CD2-CG2 3.88Å; F730-T759 HydrophobicContact CE2-CG2 3.38Å; F730-T759 HydrophobicContact CZ-CG2 3.89Å; F730-L767 HydrophobicContact CE2-CD1 3.97Å; F730-L767 HydrophobicContact CZ-CD1 3.63Å
731L78.5Confident71.8Confident88 Ų8851.4 Ų51.446%0.46129%0.293SS..Hα-helixtrans-65-42.9177.6179.460000111.2V727 S728 E733 M734 L735V727-L731 HydrophobicContact CG1-CB 4.18Å; V727-L731 HydrophobicContact CG1-CD2 4.18Å; V727-L731 HydrophobicContact CG1-CG 4.24Å; S728-L731 PolarHBondContact O-N 3.38Å; S728-L731 VanDerWaalsContact O-N 3.09Å; S728-L731 WeakPolarHBondContact OG-CB 3.35Å; S728-L731 PolarHBondContact OG-N 3.39Å; S728-L731 VanDerWaalsContact OG-N 3.11Å; L731-E733 VanDerWaalsContact C-N 3.29Å; L731-E733 PolarHBondContact O-N 2.85Å; L731-M734 PolarHBondContact O-N 2.95Å; L731-L735 HydrophobicContact CD1-CD1 4.42Å; L731-L735 HydrophobicContact CD1-CG 4.28Å; L731-L735 HydrophobicContact CG-CD1 4.18Å; L731-L735 HydrophobicContact CG-CG 4.48Å; L731-L735 WeakPolarHBondContact O-CG 3.45Å; L731-L735 PolarHBondContact O-N 3.33Å
732A74.5Confident73.4Confident0 Ų053.8 Ų53.80%030%0.295CS..Hα-helixtrans-57.5-45.6174.600000111.3A719 Y722 V727 S728 M734 L735 E736A719-A732 HydrophobicContact CB-CB 3.89Å; Y722-A732 HydrophobicContact CD1-CB 4.2Å; Y722-A732 HydrophobicContact CD2-CB 3.58Å; Y722-A732 HydrophobicContact CE2-CB 4.01Å; Y722-A732 HydrophobicContact CG-CB 3.67Å; V727-A732 HydrophobicContact CG1-CB 4.15Å; S728-A732 PolarHBondContact O-N 2.9Å; A732-M734 PolarHBondContact O-N 3Å; A732-L735 PolarHBondContact O-N 3.43Å; A732-E736 WeakPolarHBondContact O-CG 3.34Å; A732-E736 PolarHBondContact O-N 2.86Å
733E80.7Confident74.7Confident7 Ų754 Ų543%0.03330%0.299CS..Hα-helixtrans-59-43.2176.6-179.5176.7148.600113.1R716 T729 F730 L731 T737 L755 G756R716-E733 IonicContact CZ-OE1 3.78Å; R716-E733 IonicContact CZ-OE2 3.49Å; R716-E733 IonicContact NH2-OE1 3.66Å; R716-E733 PolarHBondContact NH2-OE1 3.46Å; R716-E733 VanDerWaalsContact NH2-OE1 3.08Å; R716-E733 IonicContact NH2-OE2 2.68Å; R716-E733 PolarHBondContact NH2-OE2 3.08Å; T729-E733 WeakPolarHBondContact O-CB 3.26Å; T729-E733 PolarHBondContact O-N 3.39Å; T729-E733 VanDerWaalsContact O-N 3.08Å; F730-E733 WeakPolarHBondContact O-CB 3.31Å; F730-E733 PolarHBondContact O-N 2.96Å; L731-E733 VanDerWaalsContact C-N 3.29Å; L731-E733 PolarHBondContact O-N 2.85Å; E733-T737 WeakPolarHBondContact O-CB 3.36Å; E733-T737 PolarHBondContact O-N 3.33Å; E733-T737 PolarHBondContact O-OG1 3.32Å; E733-L755 HydrophobicContact CG-CD1 3.76Å; E733-L755 VanDerWaalsContact OE1-CD1 3.31Å; E733-L755 WeakPolarHBondContact OE1-CD1 3.45Å; E733-G756 PolarHBondContact OE1-N 2.79Å
734M84.7Confident76.6Confident43 Ų4348.7 Ų48.721%0.21228%0.275CS..Hα-helixtrans-69.9-36.9177.7-67.5-59.596.600112.4F730 L731 A732 T737 S738 L755 L767F730-M734 HydrophobicContact CD1-CG 4.34Å; F730-M734 HydrophobicContact CD2-CE 4.4Å; F730-M734 HydrophobicContact CD2-CG 4.36Å; F730-M734 HydrophobicContact CE1-CG 3.91Å; F730-M734 HydrophobicContact CE2-CE 3.81Å; F730-M734 HydrophobicContact CE2-CG 3.92Å; F730-M734 HydrophobicContact CE2-SD 3.96Å; F730-M734 HydrophobicContact CZ-CE 4.33Å; F730-M734 HydrophobicContact CZ-CG 3.68Å; F730-M734 HydrophobicContact CZ-SD 3.85Å; F730-M734 WeakPolarHBondContact O-CG 3.39Å; F730-M734 PolarHBondContact O-N 3.06Å; L731-M734 PolarHBondContact O-N 2.95Å; A732-M734 PolarHBondContact O-N 3Å; M734-T737 PolarHBondContact O-N 3.34Å; M734-S738 VanDerWaalsContact O-CB 3.3Å; M734-S738 WeakPolarHBondContact O-CB 3.27Å; M734-S738 PolarHBondContact O-N 3.31Å; M734-L755 HydrophobicContact CE-CD1 3.94Å; M734-L767 HydrophobicContact SD-CD1 3.94Å
735L77.8Confident78.5Confident40 Ų4045.2 Ų45.221%0.20925%0.25CS..Hα-helixtrans-66.2-42.3176.1-72.1172.4000112L217 L731 A732 S739L217-L735 HydrophobicContact CD1-CD1 4.48Å; L731-L735 HydrophobicContact CD1-CD1 4.42Å; L731-L735 HydrophobicContact CD1-CG 4.28Å; L731-L735 HydrophobicContact CG-CD1 4.18Å; L731-L735 HydrophobicContact CG-CG 4.48Å; L731-L735 WeakPolarHBondContact O-CG 3.45Å; L731-L735 PolarHBondContact O-N 3.33Å; A732-L735 PolarHBondContact O-N 3.43Å; L735-S739 PolarHBondContact O-N 2.83Å; L735-S739 VanDerWaalsContact O-N 3.08Å
736E78.3Confident80.4Confident14 Ų1446.4 Ų46.47%0.06526%0.255CS..Hα-helixtrans-61.1-49.4173.3-74175.2-173.800110.7R716 Y722 A732 S738 S739 V740R716-E736 HydrophobicContact CG-CB 4.37Å; Y722-E736 WeakPolarHBondContact CE2-OE1 3.21Å; A732-E736 WeakPolarHBondContact O-CG 3.34Å; A732-E736 PolarHBondContact O-N 2.86Å; E736-S738 VanDerWaalsContact C-N 3.34Å; E736-S738 PolarHBondContact O-N 2.95Å; E736-S739 WeakPolarHBondContact O-CB 3.35Å; E736-S739 PolarHBondContact O-N 2.83Å; E736-S739 VanDerWaalsContact O-N 3.13Å; E736-V740 WeakPolarHBondContact O-CG2 3.49Å; E736-V740 PolarHBondContact O-N 3.35Å
737T86.8Confident82.1Confident9 Ų944.3 Ų44.36%0.05523%0.226CC..Hα-helixtrans-60.6-43.5179.4-53.30000111.5E733 M734 S739 V740 L741 L755 V771E733-T737 WeakPolarHBondContact O-CB 3.36Å; E733-T737 PolarHBondContact O-N 3.33Å; E733-T737 PolarHBondContact O-OG1 3.32Å; M734-T737 PolarHBondContact O-N 3.34Å; T737-S739 VanDerWaalsContact C-N 3.31Å; T737-S739 PolarHBondContact O-N 3.26Å; T737-V740 PolarHBondContact O-N 3.23Å; T737-L741 HydrophobicContact CG2-CD1 4.2Å; T737-L741 HydrophobicContact CG2-CG 4.28Å; T737-L741 VanDerWaalsContact O-CG 3.3Å; T737-L741 WeakPolarHBondContact O-CG 3.34Å; T737-L741 PolarHBondContact O-N 3.2Å; T737-L755 HydrophobicContact CG2-CD1 4.38Å; T737-L755 HydrophobicContact CG2-CD2 4.31Å; T737-L755 VanDerWaalsContact OG1-CD1 3.27Å; T737-L755 WeakPolarHBondContact OG1-CD1 3.38Å; T737-V771 HydrophobicContact CG2-CG1 4.04Å; T737-V771 HydrophobicContact CG2-CG2 3.91Å
738S83.6Confident83.5Confident32 Ų3242.5 Ų42.522%0.22422%0.215CC..Hα-helixtrans-59.6-40.8175.8-175.30000112.1H171 M734 E736 L741 R742H171-S738 PolarHBondContact NE2-OG 3.3Å; M734-S738 VanDerWaalsContact O-CB 3.3Å; M734-S738 WeakPolarHBondContact O-CB 3.27Å; M734-S738 PolarHBondContact O-N 3.31Å; E736-S738 VanDerWaalsContact C-N 3.34Å; E736-S738 PolarHBondContact O-N 2.95Å; S738-L741 PolarHBondContact O-N 3Å; S738-R742 WeakPolarHBondContact O-CG 3.42Å; S738-R742 PolarHBondContact O-N 3.47Å; S738-R742 VanDerWaalsContact O-N 3.13Å
739S78.8Confident84.6Confident8 Ų839.3 Ų39.36%0.05619%0.192CC..Hα-helixtrans-60.8-46.8176-168.90000111.6L735 E736 T737 R742 S743L735-S739 PolarHBondContact O-N 2.83Å; L735-S739 VanDerWaalsContact O-N 3.08Å; E736-S739 WeakPolarHBondContact O-CB 3.35Å; E736-S739 PolarHBondContact O-N 2.83Å; E736-S739 VanDerWaalsContact O-N 3.13Å; T737-S739 VanDerWaalsContact C-N 3.31Å; T737-S739 PolarHBondContact O-N 3.26Å; S739-R742 PolarHBondContact O-N 3.15Å; S739-S743 WeakPolarHBondContact O-CB 3.3Å; S739-S743 PolarHBondContact O-N 3.38Å; S739-S743 PolarHBondContact O-OG 2.88Å
740V85.6Confident85.4Confident7 Ų736.9 Ų36.94%0.04218%0.178CC..Hα-helixtrans-60.2-52.3176.7175.10000110.6M714 E736 T737 R742 S743 V744 V750M714-V740 HydrophobicContact CB-CG1 4.03Å; M714-V740 HydrophobicContact CB-CG2 4.09Å; M714-V740 HydrophobicContact SD-CB 4.47Å; M714-V740 HydrophobicContact SD-CG1 3.98Å; E736-V740 WeakPolarHBondContact O-CG2 3.49Å; E736-V740 PolarHBondContact O-N 3.35Å; T737-V740 PolarHBondContact O-N 3.23Å; V740-R742 VanDerWaalsContact C-N 3.25Å; V740-R742 PolarHBondContact O-N 2.94Å; V740-S743 PolarHBondContact O-N 2.93Å; V740-S743 VanDerWaalsContact O-N 3.15Å; V740-S743 PolarHBondContact O-OG 3.25Å; V740-V744 WeakPolarHBondContact O-CB 3.34Å; V740-V744 PolarHBondContact O-N 3.47Å; V740-V750 HydrophobicContact CG1-CG1 3.71Å; V740-V750 HydrophobicContact CG1-CG2 4.17Å
741L88.3Confident85.9Confident46 Ų4634.4 Ų34.424%0.24117%0.167CC..Hα-helixtrans-61.2-31-175.9-68.9-177000113.9T737 S738 V744 V771 F774 L775T737-L741 HydrophobicContact CG2-CD1 4.2Å; T737-L741 HydrophobicContact CG2-CG 4.28Å; T737-L741 VanDerWaalsContact O-CG 3.3Å; T737-L741 WeakPolarHBondContact O-CG 3.34Å; T737-L741 PolarHBondContact O-N 3.2Å; S738-L741 PolarHBondContact O-N 3Å; L741-V744 WeakPolarHBondContact O-CG1 3.43Å; L741-V771 HydrophobicContact CD1-CG2 4.22Å; L741-V771 HydrophobicContact CD2-CG1 4.15Å; L741-F774 HydrophobicContact CB-CE1 4.35Å; L741-F774 HydrophobicContact CD2-CD1 3.57Å; L741-F774 HydrophobicContact CD2-CE1 3.97Å; L741-L775 HydrophobicContact CD2-CD1 4.43Å; L741-L775 HydrophobicContact CD2-CD2 3.73Å; L741-L775 HydrophobicContact CD2-CG 3.92Å
742R82.9Confident86.6Confident148 Ų14830.5 Ų30.556%0.55815%0.146SC*.Hα-helixtrans-84.3-22.3179.1-69.2-172.4-166.4-178.2-0.6114H171 S738 S739 V740H171-R742 VanDerWaalsContact CD2-CZ 3.49Å; H171-R742 PolarHBondContact CD2-NH1 2.99Å; H171-R742 PolarHBondContact NE2-NE 2.67Å; H171-R742 PolarHBondContact NE2-NH1 3.1Å; H171-R742 PolarHBondContact NE2-NH2 2.72Å; S738-R742 WeakPolarHBondContact O-CG 3.42Å; S738-R742 PolarHBondContact O-N 3.47Å; S738-R742 VanDerWaalsContact O-N 3.13Å; S739-R742 PolarHBondContact O-N 3.15Å; V740-R742 VanDerWaalsContact C-N 3.25Å; V740-R742 PolarHBondContact O-N 2.94Å
743S82.1Confident87.3Confident20 Ų2031.1 Ų31.114%0.1415%0.15CC..Hα-helixtrans-104.4-17.6-17459.80000113.5R304 M714 S739 V740R304-S743 PolarHBondContact NH1-O 3.03Å; R304-S743 PolarHBondContact NH2-O 3.11Å; M714-S743 WeakPolarHBondContact CE-O 3.41Å; M714-S743 WeakPolarHBondContact CE-OG 3.43Å; M714-S743 PolarHBondContact SD-OG 2.98Å; S739-S743 WeakPolarHBondContact O-CB 3.3Å; S739-S743 PolarHBondContact O-N 3.38Å; S739-S743 PolarHBondContact O-OG 2.88Å; V740-S743 PolarHBondContact O-N 2.93Å; V740-S743 VanDerWaalsContact O-N 3.15Å; V740-S743 PolarHBondContact O-OG 3.25Å
744V89.6Confident87.6Confident21 Ų2132.6 Ų32.613%0.12716%0.156CC..  trans-59.6138.4-178.468.30000111.7M714 V740 L741 V750 L775 V780 C782M714-V744 HydrophobicContact SD-CB 4.21Å; V740-V744 WeakPolarHBondContact O-CB 3.34Å; V740-V744 PolarHBondContact O-N 3.47Å; L741-V744 WeakPolarHBondContact O-CG1 3.43Å; V744-V750 HydrophobicContact CG2-CG2 3.67Å; V744-L775 HydrophobicContact CB-CD2 4.48Å; V744-L775 HydrophobicContact CG1-CD2 4.11Å; V744-L775 HydrophobicContact CG2-CD2 4.15Å; V744-V780 HydrophobicContact CG1-CG1 3.77Å; V744-V780 HydrophobicContact CG2-CG1 4.03Å; V744-C782 HydrophobicContact CG2-CB 3.7Å
745T90.5Very high87.8Confident52 Ų5230.6 Ų30.632%0.31915%0.147SC..  trans-118.6172.2169.377.50000110.1D711 N747 S748 C782D711-T745 PolarHBondContact OD1-OG1 3.31Å; D711-T745 VanDerWaalsContact OD2-CG2 3.28Å; D711-T745 WeakPolarHBondContact OD2-CG2 3.49Å; D711-T745 PolarHBondContact OD2-OG1 3.39Å; T745-N747 PolarHBondContact O-N 3.2Å; T745-N747 VanDerWaalsContact O-N 3.14Å; T745-N747 PolarHBondContact OG1-N 3.36Å; T745-S748 PolarHBondContact N-OG 3.36Å; T745-S748 WeakPolarHBondContact O-CB 3.25Å; T745-S748 PolarHBondContact O-N 2.99Å; T745-S748 VanDerWaalsContact O-N 3.12Å; T745-S748 PolarHBondContact O-OG 2.99Å; T745-S748 PolarHBondContact OG1-OG 3.22Å; T745-S748 VanDerWaalsContact OG1-OG 3.08Å; T745-C782 VanDerWaalsContact O-CB 3.25Å; T745-C782 WeakPolarHBondContact O-CB 3.5Å
746R92.7Very high88.1Confident154 Ų15428.7 Ų28.758%0.58114%0.137SC*.THydrogen-bonded Turntrans-56.1-28.4174.7-169.2-170.1172.9-1721.2113.3R664 V780R664-R746 VanDerWaalsContact NH1-CG 3.35Å; R664-R746 PolarHBondContact NH1-O 3.46Å; R664-R746 PolarHBondContact NH2-O 3.16Å; R746-V780 VanDerWaalsContact CA-O 3.26Å; R746-V780 WeakPolarHBondContact CA-O 3.37Å; R746-V780 WeakPolarHBondContact CB-O 3.42Å
747N93.2Very high88.4Confident31 Ų3133.4 Ų33.417%0.16615%0.154CC..THydrogen-bonded Turntrans-96.50.9-177.1-70.6-14000113.2R664 M708 V710 T745R664-N747 PolarHBondContact NH2-OD1 3.5Å; M708-N747 HydrophobicContact CE-CB 3.9Å; V710-N747 WeakPolarHBondContact CA-O 3.34Å; V710-N747 WeakPolarHBondContact CB-O 3.19Å; V710-N747 WeakPolarHBondContact CG1-O 3.48Å; T745-N747 PolarHBondContact O-N 3.2Å; T745-N747 VanDerWaalsContact O-N 3.14Å; T745-N747 PolarHBondContact OG1-N 3.36Å
748S93.3Very high88.2Confident0 Ų034.5 Ų34.50%017%0.168CC..  trans-78.9150.2-178.2-55.20000111.9D711 T745 F783D711-S748 WeakPolarHBondContact OD1-CA 3.27Å; D711-S748 WeakPolarHBondContact OD1-CB 3.4Å; D711-S748 PolarHBondContact OD1-N 3.04Å; D711-S748 PolarHBondContact OD1-OG 2.86Å; D711-S748 PolarHBondContact OD2-OG 2.84Å; T745-S748 PolarHBondContact N-OG 3.36Å; T745-S748 WeakPolarHBondContact O-CB 3.25Å; T745-S748 PolarHBondContact O-N 2.99Å; T745-S748 VanDerWaalsContact O-N 3.12Å; T745-S748 PolarHBondContact O-OG 2.99Å; T745-S748 PolarHBondContact OG1-OG 3.22Å; T745-S748 VanDerWaalsContact OG1-OG 3.08Å; S748-F783 PolarHBondContact O-N 2.87Å
749L94.7Very high88.4Confident0 Ų035.2 Ų35.20%017%0.171CC..EExtended strand (participates in β ladder)trans-102.9118.3167.917764.5000109.4V687 A688 V691 V710 A712 I713 M714 F783V687-L749 HydrophobicContact CG1-CD2 4.45Å; A688-L749 HydrophobicContact CB-CD2 4.15Å; V691-L749 HydrophobicContact CB-CD2 4.3Å; V691-L749 HydrophobicContact CG1-CD2 4.49Å; V691-L749 HydrophobicContact CG2-CD2 4.14Å; V710-L749 HydrophobicContact CG1-CB 4.19Å; V710-L749 HydrophobicContact CG2-CB 4.41Å; A712-L749 PolarHBondContact O-N 2.82Å; I713-L749 WeakPolarHBondContact CA-O 3.44Å; I713-L749 HydrophobicContact CG1-CB 4.49Å; M714-L749 PolarHBondContact N-O 3.13Å; L749-F783 CarbonylContact C-O 3.59Å; L749-F783 WeakPolarHBondContact CA-O 2.86Å; L749-F783 HydrophobicContact CD1-CB 3.9Å
750V94.2Very high88.9Confident2 Ų237.4 Ų37.41%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-110.1127.1179.8-1770000109.8M714 V740 V744 I752 L775 F783 G784 L785M714-V750 HydrophobicContact CB-CG2 4.42Å; M714-V750 WeakPolarHBondContact O-CA 3.43Å; V740-V750 HydrophobicContact CG1-CG1 3.71Å; V740-V750 HydrophobicContact CG1-CG2 4.17Å; V744-V750 HydrophobicContact CG2-CG2 3.67Å; V750-I752 HydrophobicContact CG1-CD1 4.21Å; V750-I752 HydrophobicContact CG1-CG1 3.97Å; V750-L775 HydrophobicContact CG1-CD1 3.97Å; V750-L775 HydrophobicContact CG2-CD2 4.41Å; V750-F783 PolarHBondContact N-O 3.45Å; V750-G784 CarbonylContact O-C 3.54Å; V750-G784 WeakPolarHBondContact O-CA 3.47Å; V750-L785 PolarHBondContact O-N 2.94Å
751I93.4Very high88.8Confident0 Ų041.7 Ų41.70%021%0.212CC..EExtended strand (participates in β ladder)trans-115.7128.4173.162.9173.6000110.5L313 A688 M714 A715 R716 L785L313-I751 HydrophobicContact CD2-CD1 3.74Å; A688-I751 HydrophobicContact CB-CD1 4.02Å; A688-I751 HydrophobicContact CB-CG2 4.19Å; M714-I751 WeakPolarHBondContact O-CG1 3.35Å; M714-I751 PolarHBondContact O-N 3.24Å; A715-I751 WeakPolarHBondContact CA-O 3.36Å; A715-I751 HydrophobicContact CB-CD1 3.65Å; A715-I751 HydrophobicContact CB-CG1 3.44Å; A715-I751 VanDerWaalsContact CB-CG1 3.44Å; R716-I751 PolarHBondContact N-O 2.97Å; I751-L785 WeakPolarHBondContact CA-O 3.47Å; I751-L785 HydrophobicContact CG2-CB 4.25Å; I751-L785 HydrophobicContact CG2-CD1 4.12Å; I751-L785 HydrophobicContact CG2-CG 4.48Å
752I92.4Very high88.8Confident6 Ų648.9 Ų48.93%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-126.7124.1-177.9-59179.2000108.5V750 L755 V771 L775 L785 F786 A787V750-I752 HydrophobicContact CG1-CD1 4.21Å; V750-I752 HydrophobicContact CG1-CG1 3.97Å; I752-L755 HydrophobicContact CG2-CB 3.63Å; I752-L755 HydrophobicContact CG2-CD2 4.39Å; I752-V771 HydrophobicContact CD1-CG1 4Å; I752-L775 HydrophobicContact CD1-CD1 3.6Å; I752-L785 PolarHBondContact N-O 2.92Å; I752-F786 HydrophobicContact CB-CD1 4.23Å; I752-F786 HydrophobicContact CB-CD2 4.3Å; I752-F786 HydrophobicContact CB-CG 4.1Å; I752-F786 HydrophobicContact CD1-CD2 4.05Å; I752-F786 HydrophobicContact CD1-CE2 4.23Å; I752-F786 HydrophobicContact CG2-CD1 3.97Å; I752-F786 HydrophobicContact CG2-CD2 4.25Å; I752-F786 HydrophobicContact CG2-CE1 3.82Å; I752-F786 HydrophobicContact CG2-CE2 4.1Å; I752-F786 HydrophobicContact CG2-CG 4.2Å; I752-F786 HydrophobicContact CG2-CZ 3.91Å; I752-A787 PolarHBondContact O-N 3.35Å
753D90.3Very high89.1Confident13 Ų1346.3 Ų46.37%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-117.698-179.5-163.518.3000113.1S681 I684 R716 A787S681-D753 WeakPolarHBondContact CB-OD2 3.32Å; S681-D753 VanDerWaalsContact OG-CG 3.3Å; S681-D753 PolarHBondContact OG-OD1 2.7Å; S681-D753 PolarHBondContact OG-OD2 3.18Å; I684-D753 HydrophobicContact CD1-CB 3.85Å; R716-D753 PolarHBondContact NH1-O 3.14Å; R716-D753 PolarHBondContact O-N 2.92Å; D753-A787 WeakPolarHBondContact OD1-CB 3.42Å
754E87.3Confident89.5Confident38 Ų3845.3 Ų45.318%0.17823%0.228CC..SBendtrans66.756.2176.5-55.2179.8161.200115.6R716 R757 A787R716-E754 PolarHBondContact NH1-O 2.71Å; R716-E754 VanDerWaalsContact NH1-O 3.08Å; R716-E754 PolarHBondContact NH2-O 2.91Å; E754-R757 IonicContact OE2-CZ 2.68Å; E754-R757 IonicContact OE2-NH1 3.71Å; E754-R757 PolarHBondContact OE2-NH1 2.83Å; E754-A787 PolarHBondContact N-O 3.18Å
755L88.5Confident89.6Confident1 Ų146 Ų461%0.00523%0.23CC..THydrogen-bonded Turntrans-74.2141.1-179-175.476.2000110.1E733 M734 T737 I752 V771 F786 F790E733-L755 HydrophobicContact CG-CD1 3.76Å; E733-L755 VanDerWaalsContact OE1-CD1 3.31Å; E733-L755 WeakPolarHBondContact OE1-CD1 3.45Å; M734-L755 HydrophobicContact CE-CD1 3.94Å; T737-L755 HydrophobicContact CG2-CD1 4.38Å; T737-L755 HydrophobicContact CG2-CD2 4.31Å; T737-L755 VanDerWaalsContact OG1-CD1 3.27Å; T737-L755 WeakPolarHBondContact OG1-CD1 3.38Å; I752-L755 HydrophobicContact CG2-CB 3.63Å; I752-L755 HydrophobicContact CG2-CD2 4.39Å; L755-V771 HydrophobicContact CD2-CB 3.86Å; L755-V771 HydrophobicContact CD2-CG1 3.83Å; L755-V771 HydrophobicContact CD2-CG2 3.95Å; L755-F786 HydrophobicContact CB-CE1 4.12Å; L755-F786 HydrophobicContact CB-CZ 3.7Å; L755-F786 HydrophobicContact CD2-CE2 4.42Å; L755-F786 HydrophobicContact CD2-CZ 4.23Å; L755-F790 VanDerWaalsContact O-CE2 3.26Å; L755-F790 WeakPolarHBondContact O-CE2 3.4Å
756G84.8Confident89.6Confident1 Ų145.2 Ų45.21%0.0123%0.232CC..THydrogen-bonded Turntrans941-17900000115.1E733 G758 G764E733-G756 PolarHBondContact OE1-N 2.79Å; G756-G758 VanDerWaalsContact C-N 3.3Å; G756-G758 PolarHBondContact O-N 2.8Å; G756-G764 WeakPolarHBondContact O-CA 3.47Å
757R83.8Confident89.5Confident112 Ų11240.8 Ų40.842%0.42322%0.22SC..THydrogen-bonded Turntrans-73-16.9-174.670.9-177.8-177.8-164.30.7115.1E754E754-R757 IonicContact OE2-CZ 2.68Å; E754-R757 IonicContact OE2-NH1 3.71Å; E754-R757 PolarHBondContact OE2-NH1 2.83Å
758G82.6Confident89.5Confident33 Ų3339.3 Ų39.334%0.3421%0.212SC..THydrogen-bonded Turntrans-87.30.3-176.900000115.4G756G756-G758 VanDerWaalsContact C-N 3.3Å; G756-G758 PolarHBondContact O-N 2.8Å
759T87.5Confident89.5Confident47 Ų4741.8 Ų41.829%0.28822%0.221SC..SBendtrans-134.9-174.8-173.8-169.80000111.4F730 D763F730-T759 HydrophobicContact CD2-CG2 3.88Å; F730-T759 HydrophobicContact CE2-CG2 3.38Å; F730-T759 HydrophobicContact CZ-CG2 3.89Å; T759-D763 HydrophobicContact CG2-CB 4.03Å
760S88.8Confident89.4Confident54 Ų5444.3 Ų44.338%0.37824%0.242SC..  trans-56.8148.8174.483.70000110.8Y762 D763 G764S760-Y762 VanDerWaalsContact C-N 3.28Å; S760-Y762 PolarHBondContact O-N 3.29Å; S760-D763 PolarHBondContact O-N 3.39Å; S760-D763 WeakPolarHBondContact OG-CB 3.26Å; S760-D763 PolarHBondContact OG-N 2.91Å; S760-D763 PolarHBondContact OG-OD2 2.8Å; S760-G764 PolarHBondContact O-N 3.45Å
761T84.9Confident89.4Confident97 Ų9744.9 Ų44.960%0.59525%0.246SC*.Hα-helixtrans-57.9-41.2-177.147.20000112.2F765T761-F765 WeakPolarHBondContact O-CB 3.48Å; T761-F765 PolarHBondContact O-N 2.87Å
762Y87.1Confident89.4Confident196 Ų19644.9 Ų44.977%0.76925%0.246SC*.Hα-helixtrans-66.4-47.2178.8-62.7-68.5000112.7S760 G766S760-Y762 VanDerWaalsContact C-N 3.28Å; S760-Y762 PolarHBondContact O-N 3.29Å; Y762-G766 PolarHBondContact O-N 2.88Å
763D90.6Very high89.4Confident94 Ų9445 Ų4550%0.50325%0.247SC..Hα-helixtrans-67-41.6178.4-60.7-35.8000110.7T759 S760 G766 L767T759-D763 HydrophobicContact CG2-CB 4.03Å; S760-D763 PolarHBondContact O-N 3.39Å; S760-D763 WeakPolarHBondContact OG-CB 3.26Å; S760-D763 PolarHBondContact OG-N 2.91Å; S760-D763 PolarHBondContact OG-OD2 2.8Å; D763-G766 PolarHBondContact O-N 2.96Å; D763-L767 WeakPolarHBondContact O-CB 3.34Å; D763-L767 WeakPolarHBondContact O-CD1 3.46Å; D763-L767 VanDerWaalsContact O-CG 3.24Å; D763-L767 WeakPolarHBondContact O-CG 3.39Å; D763-L767 PolarHBondContact O-N 3.45Å
764G90.1Very high89.6Confident0 Ų048.3 Ų48.30%026%0.261CS..Hα-helixtrans-62.2-46.317900000112G756 S760 A768G756-G764 WeakPolarHBondContact O-CA 3.47Å; S760-G764 PolarHBondContact O-N 3.45Å; G764-A768 VanDerWaalsContact O-CB 3.29Å; G764-A768 WeakPolarHBondContact O-CB 3.22Å; G764-A768 PolarHBondContact O-N 2.81Å
765F90.2Very high89.9Confident35 Ų3546.5 Ų46.515%0.15425%0.252CS..Hα-helixtrans-62.9-48174170.9-107.6000111.7T761 L767 A768 W769 F790 E792 L793 W876T761-F765 WeakPolarHBondContact O-CB 3.48Å; T761-F765 PolarHBondContact O-N 2.87Å; F765-L767 VanDerWaalsContact C-N 3.31Å; F765-L767 PolarHBondContact O-N 2.87Å; F765-A768 PolarHBondContact O-N 3.41Å; F765-W769 AromaticContact CE2-CE3 3.94Å; F765-W769 HydrophobicContact CE2-CE3 3.94Å; F765-W769 HydrophobicContact CZ-CD2 4.4Å; F765-W769 AromaticContact CZ-CE3 3.6Å; F765-W769 HydrophobicContact CZ-CE3 3.6Å; F765-W769 HydrophobicContact CZ-CZ3 4.19Å; F765-W769 WeakPolarHBondContact O-CB 3.4Å; F765-W769 PolarHBondContact O-N 2.99Å; F765-F790 HydrophobicContact CB-CD1 4.08Å; F765-F790 HydrophobicContact CB-CE1 4.02Å; F765-F790 HydrophobicContact CB-CE2 4.49Å; F765-F790 HydrophobicContact CB-CG 4.38Å; F765-F790 HydrophobicContact CB-CZ 4.24Å; F765-F790 HydrophobicContact CD2-CB 3.99Å; F765-F790 HydrophobicContact CD2-CD1 4.32Å; F765-F790 HydrophobicContact CD2-CG 4.05Å; F765-E792 HydrophobicContact CD2-CB 4.45Å; F765-E792 HydrophobicContact CE2-CB 3.69Å; F765-E792 HydrophobicContact CZ-CB 3.89Å; F765-L793 HydrophobicContact CE2-CB 4.3Å; F765-W876 AromaticContact CE1-CH2 3.91Å; F765-W876 HydrophobicContact CE1-CH2 3.91Å; F765-W876 AromaticContact CZ-CH2 3.95Å; F765-W876 HydrophobicContact CZ-CH2 3.95Å; F765-W876 HydrophobicContact CZ-CZ2 4.45Å
766G90.7Very high90.2Very high36 Ų3646.4 Ų46.437%0.37125%0.252SS..Hα-helixtrans-58.7-42.2179.700000112.5Y762 D763 A770Y762-G766 PolarHBondContact O-N 2.88Å; D763-G766 PolarHBondContact O-N 2.96Å; G766-A770 WeakPolarHBondContact O-CB 3.32Å; G766-A770 PolarHBondContact O-N 2.74Å
767L92.1Very high90.5Very high61 Ų6147 Ų4732%0.31926%0.256SS..Hα-helixtrans-66.8-46.4174.2-71.7166.8000111.8F730 M734 D763 F765 W769 A770 V771F730-L767 HydrophobicContact CE2-CD1 3.97Å; F730-L767 HydrophobicContact CZ-CD1 3.63Å; M734-L767 HydrophobicContact SD-CD1 3.94Å; D763-L767 WeakPolarHBondContact O-CB 3.34Å; D763-L767 WeakPolarHBondContact O-CD1 3.46Å; D763-L767 VanDerWaalsContact O-CG 3.24Å; D763-L767 WeakPolarHBondContact O-CG 3.39Å; D763-L767 PolarHBondContact O-N 3.45Å; F765-L767 VanDerWaalsContact C-N 3.31Å; F765-L767 PolarHBondContact O-N 2.87Å; L767-W769 VanDerWaalsContact C-N 3.29Å; L767-W769 PolarHBondContact O-N 3.08Å; L767-A770 PolarHBondContact O-N 3.37Å; L767-V771 WeakPolarHBondContact O-CB 3.38Å; L767-V771 VanDerWaalsContact O-CG2 3.23Å; L767-V771 WeakPolarHBondContact O-CG2 3.34Å; L767-V771 PolarHBondContact O-N 2.62Å
768A92.6Very high90.6Very high0 Ų046.4 Ų46.40%027%0.266CS..Hα-helixtrans-57.3-43.8176.900000112G764 F765 A772 F786 F790 L793G764-A768 VanDerWaalsContact O-CB 3.29Å; G764-A768 WeakPolarHBondContact O-CB 3.22Å; G764-A768 PolarHBondContact O-N 2.81Å; F765-A768 PolarHBondContact O-N 3.41Å; A768-A772 VanDerWaalsContact O-CB 3.27Å; A768-A772 WeakPolarHBondContact O-CB 3.49Å; A768-A772 PolarHBondContact O-N 2.95Å; A768-F786 HydrophobicContact CB-CE2 4.46Å; A768-F786 HydrophobicContact CB-CZ 3.83Å; A768-F790 HydrophobicContact CB-CD2 3.96Å; A768-F790 HydrophobicContact CB-CE2 4.05Å; A768-L793 HydrophobicContact CB-CD2 4.43Å
769W93.1Very high90.9Very high51 Ų5153.2 Ų53.219%0.19329%0.289CS..Hα-helixtrans-61.1-50.9175.2-174.5-79.7000112.1F765 L767 V771 A772 S773 L793 L796 Y799F765-W769 AromaticContact CE2-CE3 3.94Å; F765-W769 HydrophobicContact CE2-CE3 3.94Å; F765-W769 HydrophobicContact CZ-CD2 4.4Å; F765-W769 AromaticContact CZ-CE3 3.6Å; F765-W769 HydrophobicContact CZ-CE3 3.6Å; F765-W769 HydrophobicContact CZ-CZ3 4.19Å; F765-W769 WeakPolarHBondContact O-CB 3.4Å; F765-W769 PolarHBondContact O-N 2.99Å; L767-W769 VanDerWaalsContact C-N 3.29Å; L767-W769 PolarHBondContact O-N 3.08Å; W769-V771 PolarHBondContact O-N 3.44Å; W769-A772 PolarHBondContact O-N 2.99Å; W769-S773 PolarHBondContact NE1-OG 3.37Å; W769-S773 VanDerWaalsContact O-CB 3.25Å; W769-S773 WeakPolarHBondContact O-CB 3.32Å; W769-S773 PolarHBondContact O-N 3.03Å; W769-S773 PolarHBondContact O-OG 3.33Å; W769-L793 HydrophobicContact CB-CD1 4.12Å; W769-L793 HydrophobicContact CD2-CD1 4.34Å; W769-L793 HydrophobicContact CE3-CD1 3.8Å; W769-L796 HydrophobicContact CH2-CB 4.15Å; W769-L796 HydrophobicContact CH2-CD1 4.39Å; W769-L796 HydrophobicContact CZ2-CB 4.49Å; W769-L796 HydrophobicContact CZ2-CD1 3.9Å; W769-L796 HydrophobicContact CZ3-CB 4.23Å; W769-Y799 AromaticContact CH2-CD2 3.61Å; W769-Y799 HydrophobicContact CH2-CD2 3.61Å; W769-Y799 AromaticContact CH2-CE2 3.59Å; W769-Y799 HydrophobicContact CH2-CE2 3.59Å; W769-Y799 AromaticContact CZ2-CD2 3.7Å; W769-Y799 HydrophobicContact CZ2-CD2 3.7Å; W769-Y799 AromaticContact CZ2-CE2 3.91Å; W769-Y799 HydrophobicContact CZ2-CE2 3.91Å; W769-Y799 HydrophobicContact CZ2-CG 4.41Å
770A93.1Very high91Very high54 Ų5451.8 Ų51.845%0.44628%0.28SS..Hα-helixtrans-61.8-43.4-178.900000111.9G766 L767 S773 F774G766-A770 WeakPolarHBondContact O-CB 3.32Å; G766-A770 PolarHBondContact O-N 2.74Å; L767-A770 PolarHBondContact O-N 3.37Å; A770-S773 PolarHBondContact O-N 2.93Å; A770-F774 WeakPolarHBondContact O-CB 3.36Å; A770-F774 PolarHBondContact O-N 2.68Å
771V93.3Very high91.1Very high14 Ų1449.4 Ų49.49%0.08526%0.264CS..Hα-helixtrans-66.1-47.5178.7172.20000111.3T737 L741 I752 L755 L767 W769 S773 F774 L775T737-V771 HydrophobicContact CG2-CG1 4.04Å; T737-V771 HydrophobicContact CG2-CG2 3.91Å; L741-V771 HydrophobicContact CD1-CG2 4.22Å; L741-V771 HydrophobicContact CD2-CG1 4.15Å; I752-V771 HydrophobicContact CD1-CG1 4Å; L755-V771 HydrophobicContact CD2-CB 3.86Å; L755-V771 HydrophobicContact CD2-CG1 3.83Å; L755-V771 HydrophobicContact CD2-CG2 3.95Å; L767-V771 WeakPolarHBondContact O-CB 3.38Å; L767-V771 VanDerWaalsContact O-CG2 3.23Å; L767-V771 WeakPolarHBondContact O-CG2 3.34Å; L767-V771 PolarHBondContact O-N 2.62Å; W769-V771 PolarHBondContact O-N 3.44Å; V771-S773 VanDerWaalsContact C-N 3.32Å; V771-S773 PolarHBondContact O-N 3.17Å; V771-F774 PolarHBondContact O-N 3.36Å; V771-L775 HydrophobicContact CG1-CD1 4.05Å; V771-L775 WeakPolarHBondContact O-CG 3.15Å; V771-L775 PolarHBondContact O-N 3.12Å
772A93.9Very high91.5Very high0 Ų044.8 Ų44.80%024%0.236CC..Hα-helixtrans-60.7-43.4176.800000111.6F669 A768 W769 L775 A776 F786 L793 L796F669-A772 HydrophobicContact CE1-CB 4.06Å; F669-A772 HydrophobicContact CZ-CB 4.14Å; A768-A772 VanDerWaalsContact O-CB 3.27Å; A768-A772 WeakPolarHBondContact O-CB 3.49Å; A768-A772 PolarHBondContact O-N 2.95Å; W769-A772 PolarHBondContact O-N 2.99Å; A772-L775 PolarHBondContact O-N 2.66Å; A772-A776 VanDerWaalsContact O-CB 3.29Å; A772-A776 WeakPolarHBondContact O-CB 3.48Å; A772-A776 PolarHBondContact O-N 2.91Å; A772-F786 HydrophobicContact CB-CD2 3.86Å; A772-F786 HydrophobicContact CB-CE2 3.93Å; A772-L793 HydrophobicContact CB-CD1 4.29Å; A772-L796 HydrophobicContact CB-CD2 3.55Å
773S93.1Very high91.9Very high8 Ų835.4 Ų35.46%0.05620%0.199CC..Hα-helixtrans-62-43.5177.2-60.70000111.9W769 A770 V771 S777 L796W769-S773 PolarHBondContact NE1-OG 3.37Å; W769-S773 VanDerWaalsContact O-CB 3.25Å; W769-S773 WeakPolarHBondContact O-CB 3.32Å; W769-S773 PolarHBondContact O-N 3.03Å; W769-S773 PolarHBondContact O-OG 3.33Å; A770-S773 PolarHBondContact O-N 2.93Å; V771-S773 VanDerWaalsContact C-N 3.32Å; V771-S773 PolarHBondContact O-N 3.17Å; S773-S777 WeakPolarHBondContact O-CA 3.13Å; S773-S777 WeakPolarHBondContact O-CB 3.42Å; S773-S777 PolarHBondContact O-N 3.46Å; S773-L796 VanDerWaalsContact OG-CD1 3.32Å; S773-L796 WeakPolarHBondContact OG-CD1 3.46Å
774F93.7Very high92.1Very high82 Ų8231 Ų3136%0.3618%0.175SC..Hα-helixtrans-64-46.3178.8179.3-93.4000111.9L741 A770 V771 S777 V780L741-F774 HydrophobicContact CB-CE1 4.35Å; L741-F774 HydrophobicContact CD2-CD1 3.57Å; L741-F774 HydrophobicContact CD2-CE1 3.97Å; A770-F774 WeakPolarHBondContact O-CB 3.36Å; A770-F774 PolarHBondContact O-N 2.68Å; V771-F774 PolarHBondContact O-N 3.36Å; F774-S777 WeakPolarHBondContact O-CB 3.28Å; F774-S777 PolarHBondContact O-N 3.4Å; F774-S777 PolarHBondContact O-OG 3.29Å; F774-V780 HydrophobicContact CD1-CG2 4.03Å; F774-V780 HydrophobicContact CE1-CG2 3.6Å; F774-V780 HydrophobicContact CE2-CG2 4.33Å; F774-V780 HydrophobicContact CZ-CG2 3.76Å; F774-V780 WeakPolarHBondContact O-CG2 3.32Å
775L93.7Very high92.4Very high0 Ų031 Ų310%018%0.176CC..Hα-helixtrans-66.6-39.1179.6-69.1174000112.7F669 L741 V744 V750 I752 V771 A772 S777 G781 C782F669-L775 HydrophobicContact CD2-CB 4.23Å; F669-L775 HydrophobicContact CE2-CB 3.64Å; F669-L775 HydrophobicContact CE2-CD1 4.05Å; F669-L775 HydrophobicContact CZ-CD1 4.48Å; L741-L775 HydrophobicContact CD2-CD1 4.43Å; L741-L775 HydrophobicContact CD2-CD2 3.73Å; L741-L775 HydrophobicContact CD2-CG 3.92Å; V744-L775 HydrophobicContact CB-CD2 4.48Å; V744-L775 HydrophobicContact CG1-CD2 4.11Å; V744-L775 HydrophobicContact CG2-CD2 4.15Å; V750-L775 HydrophobicContact CG1-CD1 3.97Å; V750-L775 HydrophobicContact CG2-CD2 4.41Å; I752-L775 HydrophobicContact CD1-CD1 3.6Å; V771-L775 HydrophobicContact CG1-CD1 4.05Å; V771-L775 WeakPolarHBondContact O-CG 3.15Å; V771-L775 PolarHBondContact O-N 3.12Å; A772-L775 PolarHBondContact O-N 2.66Å; L775-S777 VanDerWaalsContact C-N 3.28Å; L775-S777 PolarHBondContact O-N 3.3Å; L775-G781 PolarHBondContact O-N 3.4Å; L775-C782 PolarHBondContact O-N 3.2Å
776A93.6Very high92.6Very high0 Ų029.3 Ų29.30%017%0.168CC..Hα-helixtrans-79.1-9.4177.200000113.7F669 A772 M800 R803 V804F669-A776 HydrophobicContact CB-CB 3.98Å; F669-A776 HydrophobicContact CD2-CB 4.14Å; F669-A776 HydrophobicContact CG-CB 4.02Å; A772-A776 VanDerWaalsContact O-CB 3.29Å; A772-A776 WeakPolarHBondContact O-CB 3.48Å; A772-A776 PolarHBondContact O-N 2.91Å; A776-M800 HydrophobicContact CB-SD 3.89Å; A776-R803 PolarHBondContact O-NH1 2.92Å; A776-V804 HydrophobicContact CB-CG2 3.59Å
777S91.5Very high92.7Very high13 Ų1327.6 Ų27.69%0.09115%0.151CC..SBendtrans-59.2158.7-175.873.50000112.7S773 F774 L775 E779 V780 G781 R803S773-S777 WeakPolarHBondContact O-CA 3.13Å; S773-S777 WeakPolarHBondContact O-CB 3.42Å; S773-S777 PolarHBondContact O-N 3.46Å; F774-S777 WeakPolarHBondContact O-CB 3.28Å; F774-S777 PolarHBondContact O-N 3.4Å; F774-S777 PolarHBondContact O-OG 3.29Å; L775-S777 VanDerWaalsContact C-N 3.28Å; L775-S777 PolarHBondContact O-N 3.3Å; S777-E779 PolarHBondContact O-N 3.13Å; S777-E779 PolarHBondContact OG-N 3.15Å; S777-V780 PolarHBondContact OG-N 3.47Å; S777-G781 VanDerWaalsContact O-CA 3.31Å; S777-G781 WeakPolarHBondContact O-CA 3.26Å; S777-G781 PolarHBondContact O-N 2.94Å; S777-R803 PolarHBondContact O-NH1 3.32Å
778P87Confident92.7Very high99 Ų9924.7 Ų24.764%0.64314%0.136SC*.THydrogen-bonded Turntrans-60-28.8172.5-24.135000115.2R803P778-R803 VanDerWaalsContact CA-NH1 3.3Å; P778-R803 VanDerWaalsContact CA-NH2 3.31Å
779E87.4Confident92.4Very high176 Ų17628.2 Ų28.282%0.82215%0.152SC*.THydrogen-bonded Turntrans-70.3-44.4-178.6-60.9179.7177.500111.6S777S777-E779 PolarHBondContact O-N 3.13Å; S777-E779 PolarHBondContact OG-N 3.15Å
780V90.3Very high92.1Very high17 Ų1726.3 Ų26.310%0.10315%0.145CC..THydrogen-bonded Turntrans-90.9-64.1179.2-177.70000110.7V744 R746 F774 S777 C782V744-V780 HydrophobicContact CG1-CG1 3.77Å; V744-V780 HydrophobicContact CG2-CG1 4.03Å; R746-V780 VanDerWaalsContact CA-O 3.26Å; R746-V780 WeakPolarHBondContact CA-O 3.37Å; R746-V780 WeakPolarHBondContact CB-O 3.42Å; F774-V780 HydrophobicContact CD1-CG2 4.03Å; F774-V780 HydrophobicContact CE1-CG2 3.6Å; F774-V780 HydrophobicContact CE2-CG2 4.33Å; F774-V780 HydrophobicContact CZ-CG2 3.76Å; F774-V780 WeakPolarHBondContact O-CG2 3.32Å; S777-V780 PolarHBondContact OG-N 3.47Å; V780-C782 VanDerWaalsContact C-N 3.31Å; V780-C782 HydrophobicContact CG1-CB 4.03Å; V780-C782 PolarHBondContact O-N 3.33Å
781G90.4Very high91.6Very high4 Ų425.3 Ų25.34%0.04113%0.131CC..  trans5837.9176.100000114.7R664 L775 S777R664-G781 PolarHBondContact NH1-O 3.15Å; L775-G781 PolarHBondContact O-N 3.4Å; S777-G781 VanDerWaalsContact O-CA 3.31Å; S777-G781 WeakPolarHBondContact O-CA 3.26Å; S777-G781 PolarHBondContact O-N 2.94Å
782C93.8Very high91.2Very high0 Ų026.5 Ų26.50%014%0.136CC..  trans-77.3167.8178.171.60000111.9V744 T745 L775 V780V744-C782 HydrophobicContact CG2-CB 3.7Å; T745-C782 VanDerWaalsContact O-CB 3.25Å; T745-C782 WeakPolarHBondContact O-CB 3.5Å; L775-C782 PolarHBondContact O-N 3.2Å; V780-C782 VanDerWaalsContact C-N 3.31Å; V780-C782 HydrophobicContact CG1-CB 4.03Å; V780-C782 PolarHBondContact O-N 3.33Å
783F95.5Very high90.9Very high0 Ų026.5 Ų26.50%014%0.136CC..EExtended strand (participates in β ladder)trans-79.3126.9168.1-66.7-61.7000109.3I637 L662 R664 I668 M708 S748 L749 V750I637-F783 HydrophobicContact CD1-CD2 3.88Å; I637-F783 HydrophobicContact CD1-CE2 4.25Å; I637-F783 HydrophobicContact CD1-CG 4.1Å; L662-F783 HydrophobicContact CB-CD1 3.77Å; L662-F783 HydrophobicContact CB-CE1 4.02Å; L662-F783 HydrophobicContact CD1-CB 4.2Å; L662-F783 HydrophobicContact CD1-CD1 4.21Å; L662-F783 HydrophobicContact CD1-CG 4.48Å; L662-F783 HydrophobicContact CG-CD1 4.45Å; R664-F783 HydrophobicContact CG-CZ 4.43Å; I668-F783 HydrophobicContact CB-CD1 4.29Å; I668-F783 HydrophobicContact CG2-CD1 4.38Å; I668-F783 HydrophobicContact CG2-CE1 4.13Å; I668-F783 CarbonylContact O-C 3.57Å; I668-F783 WeakPolarHBondContact O-CA 3.33Å; M708-F783 HydrophobicContact CE-CD2 4.39Å; M708-F783 HydrophobicContact CE-CE2 3.63Å; M708-F783 HydrophobicContact SD-CE2 4.16Å; S748-F783 PolarHBondContact O-N 2.87Å; L749-F783 CarbonylContact C-O 3.59Å; L749-F783 WeakPolarHBondContact CA-O 2.86Å; L749-F783 HydrophobicContact CD1-CB 3.9Å; V750-F783 PolarHBondContact N-O 3.45Å
784G95.2Very high90.8Very high0 Ų026.1 Ų26.10%013%0.133CC..EExtended strand (participates in β ladder)trans-135.6138.1-173.700000113.5I668 F669 L670 V750I668-G784 PolarHBondContact O-N 2.7Å; F669-G784 CarbonylContact C-O 3.58Å; F669-G784 WeakPolarHBondContact CA-O 3.15Å; L670-G784 PolarHBondContact N-O 2.99Å; V750-G784 CarbonylContact O-C 3.54Å; V750-G784 WeakPolarHBondContact O-CA 3.47Å
785L95.4Very high90.5Very high1 Ų122.2 Ų22.21%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-124.7118.1169.8-54.3175.8000108.7L662 L670 I672 I684 V687 V750 I751 I752L662-L785 HydrophobicContact CD1-CD2 4.34Å; L662-L785 HydrophobicContact CD2-CD2 4.49Å; L670-L785 HydrophobicContact CB-CD2 3.88Å; L670-L785 HydrophobicContact CD1-CD2 3.64Å; L670-L785 HydrophobicContact CG-CD2 4.07Å; I672-L785 HydrophobicContact CD1-CB 4.22Å; I684-L785 HydrophobicContact CB-CB 4.14Å; I684-L785 HydrophobicContact CB-CD1 4.15Å; I684-L785 HydrophobicContact CG2-CB 3.69Å; I684-L785 HydrophobicContact CG2-CD1 4.23Å; V687-L785 HydrophobicContact CB-CD1 3.64Å; V687-L785 HydrophobicContact CG1-CD1 3.9Å; V687-L785 HydrophobicContact CG2-CD1 3.78Å; V750-L785 PolarHBondContact O-N 2.94Å; I751-L785 WeakPolarHBondContact CA-O 3.47Å; I751-L785 HydrophobicContact CG2-CB 4.25Å; I751-L785 HydrophobicContact CG2-CD1 4.12Å; I751-L785 HydrophobicContact CG2-CG 4.48Å; I752-L785 PolarHBondContact N-O 2.92Å
786F95.2Very high90.2Very high0 Ų022.2 Ų22.20%012%0.116CC..EExtended strand (participates in β ladder)trans-119.3102-178-161.9-37.1000109.5F669 L670 I671 I672 I752 L755 A768 A772 L793F669-F786 HydrophobicContact CE1-CB 3.61Å; F669-F786 HydrophobicContact CE1-CD2 4.05Å; F669-F786 HydrophobicContact CE1-CG 4.34Å; F669-F786 HydrophobicContact CZ-CB 3.84Å; F669-F786 AromaticContact CZ-CD2 3.88Å; F669-F786 HydrophobicContact CZ-CD2 3.88Å; F669-F786 HydrophobicContact CZ-CG 4.39Å; L670-F786 PolarHBondContact O-N 3.25Å; I671-F786 WeakPolarHBondContact CA-O 3.4Å; I672-F786 PolarHBondContact N-O 3.14Å; I752-F786 HydrophobicContact CB-CD1 4.23Å; I752-F786 HydrophobicContact CB-CD2 4.3Å; I752-F786 HydrophobicContact CB-CG 4.1Å; I752-F786 HydrophobicContact CD1-CD2 4.05Å; I752-F786 HydrophobicContact CD1-CE2 4.23Å; I752-F786 HydrophobicContact CG2-CD1 3.97Å; I752-F786 HydrophobicContact CG2-CD2 4.25Å; I752-F786 HydrophobicContact CG2-CE1 3.82Å; I752-F786 HydrophobicContact CG2-CE2 4.1Å; I752-F786 HydrophobicContact CG2-CG 4.2Å; I752-F786 HydrophobicContact CG2-CZ 3.91Å; L755-F786 HydrophobicContact CB-CE1 4.12Å; L755-F786 HydrophobicContact CB-CZ 3.7Å; L755-F786 HydrophobicContact CD2-CE2 4.42Å; L755-F786 HydrophobicContact CD2-CZ 4.23Å; A768-F786 HydrophobicContact CB-CE2 4.46Å; A768-F786 HydrophobicContact CB-CZ 3.83Å; A772-F786 HydrophobicContact CB-CD2 3.86Å; A772-F786 HydrophobicContact CB-CE2 3.93Å; F786-L793 HydrophobicContact CD1-CD2 4.34Å; F786-L793 HydrophobicContact CD2-CD2 4.29Å; F786-L793 HydrophobicContact CE1-CD2 4.08Å; F786-L793 HydrophobicContact CE2-CD2 4.04Å; F786-L793 HydrophobicContact CG-CD2 4.45Å; F786-L793 HydrophobicContact CZ-CD2 3.9Å
787A93.3Very high90Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-79.4121.316700000109.7I672 K680 I684 I752 D753 E754I672-A787 WeakPolarHBondContact O-CA 3.27Å; K680-A787 HydrophobicContact CB-CB 3.96Å; I684-A787 HydrophobicContact CD1-CB 3.92Å; I684-A787 HydrophobicContact CG2-CB 4.4Å; I752-A787 PolarHBondContact O-N 3.35Å; D753-A787 WeakPolarHBondContact OD1-CB 3.42Å; E754-A787 PolarHBondContact N-O 3.18Å
788T91Very high89.7Confident0 Ų025.2 Ų25.20%013%0.129CC..  trans-133.7156.6-174.4-168.90000112.3I671 I672 T673 F790 L793I671-T788 HydrophobicContact CG2-CG2 3.81Å; I672-T788 PolarHBondContact O-N 3.32Å; T673-T788 HydrophobicContact CG2-CG2 3.88Å; T788-F790 WeakPolarHBondContact CG2-O 3.38Å; T788-F790 PolarHBondContact OG1-N 2.83Å; T788-L793 HydrophobicContact CG2-CB 4.44Å; T788-L793 HydrophobicContact CG2-CD2 4.03Å
789H86.7Confident89.6Confident73 Ų7322.5 Ų22.534%0.33811%0.106SC..SBendtrans-100.6-10.816762.9-82.2000112.3H791H789-H791 PolarHBondContact O-N 2.9Å
790F87.2Confident89.6Confident11 Ų1115 Ų155%0.0487%0.071CC..  trans-79.5110175.3-61.4-60.1000110.4L755 F765 A768 T788 E792 L793L755-F790 VanDerWaalsContact O-CE2 3.26Å; L755-F790 WeakPolarHBondContact O-CE2 3.4Å; F765-F790 HydrophobicContact CB-CD1 4.08Å; F765-F790 HydrophobicContact CB-CE1 4.02Å; F765-F790 HydrophobicContact CB-CE2 4.49Å; F765-F790 HydrophobicContact CB-CG 4.38Å; F765-F790 HydrophobicContact CB-CZ 4.24Å; F765-F790 HydrophobicContact CD2-CB 3.99Å; F765-F790 HydrophobicContact CD2-CD1 4.32Å; F765-F790 HydrophobicContact CD2-CG 4.05Å; A768-F790 HydrophobicContact CB-CD2 3.96Å; A768-F790 HydrophobicContact CB-CE2 4.05Å; T788-F790 WeakPolarHBondContact CG2-O 3.38Å; T788-F790 PolarHBondContact OG1-N 2.83Å; F790-E792 VanDerWaalsContact C-N 3.31Å; F790-L793 HydrophobicContact CB-CB 4.1Å; F790-L793 WeakPolarHBondContact O-CB 3.21Å; F790-L793 PolarHBondContact O-N 2.92Å
791H83.3Confident89.3Confident34 Ų3417 Ų1716%0.1578%0.084CC..SBendtrans-69.3-34179.3-73.7-76.1000111.4H789 L793 T794H789-H791 PolarHBondContact O-N 2.9Å; H791-L793 PolarHBondContact O-N 3.38Å; H791-T794 WeakPolarHBondContact O-CB 3.39Å; H791-T794 WeakPolarHBondContact O-CG2 3.4Å; H791-T794 PolarHBondContact O-N 3.18Å; H791-T794 VanDerWaalsContact O-N 3.13Å; H791-T794 PolarHBondContact O-OG1 3.27Å
792E83Confident89.1Confident39 Ų3924.5 Ų24.518%0.18212%0.116CC..G310 helixtrans-66.4-25.3-179.3-46.994.3137.800111.8F765 F790 T794 S795 E873 W876F765-E792 HydrophobicContact CD2-CB 4.45Å; F765-E792 HydrophobicContact CE2-CB 3.69Å; F765-E792 HydrophobicContact CZ-CB 3.89Å; F790-E792 VanDerWaalsContact C-N 3.31Å; E792-T794 PolarHBondContact O-N 3.36Å; E792-T794 VanDerWaalsContact O-N 3.15Å; E792-S795 WeakPolarHBondContact O-CB 3.3Å; E792-S795 PolarHBondContact O-N 2.83Å; E792-S795 PolarHBondContact O-OG 3.23Å; E792-E873 HydrophobicContact CG-CG 4.4Å; E792-W876 HydrophobicContact CB-CE3 4.25Å; E792-W876 HydrophobicContact CB-CH2 4.01Å; E792-W876 HydrophobicContact CB-CZ3 3.86Å; E792-W876 HydrophobicContact CG-CE3 3.94Å; E792-W876 HydrophobicContact CG-CH2 4.35Å; E792-W876 HydrophobicContact CG-CZ3 3.7Å
793L89.3Confident89Confident0 Ų028 Ų280%013%0.129CC..G310 helixtrans-62.5-24.4176.3-171.462.3000111.5I671 F765 A768 W769 A772 F786 T788 F790 H791 S795 L796I671-L793 HydrophobicContact CD1-CG 4.21Å; I671-L793 WeakPolarHBondContact CD1-O 3.23Å; F765-L793 HydrophobicContact CE2-CB 4.3Å; A768-L793 HydrophobicContact CB-CD2 4.43Å; W769-L793 HydrophobicContact CB-CD1 4.12Å; W769-L793 HydrophobicContact CD2-CD1 4.34Å; W769-L793 HydrophobicContact CE3-CD1 3.8Å; A772-L793 HydrophobicContact CB-CD1 4.29Å; F786-L793 HydrophobicContact CD1-CD2 4.34Å; F786-L793 HydrophobicContact CD2-CD2 4.29Å; F786-L793 HydrophobicContact CE1-CD2 4.08Å; F786-L793 HydrophobicContact CE2-CD2 4.04Å; F786-L793 HydrophobicContact CG-CD2 4.45Å; F786-L793 HydrophobicContact CZ-CD2 3.9Å; T788-L793 HydrophobicContact CG2-CB 4.44Å; T788-L793 HydrophobicContact CG2-CD2 4.03Å; F790-L793 HydrophobicContact CB-CB 4.1Å; F790-L793 WeakPolarHBondContact O-CB 3.21Å; F790-L793 PolarHBondContact O-N 2.92Å; H791-L793 PolarHBondContact O-N 3.38Å; L793-S795 PolarHBondContact O-N 2.92Å; L793-S795 VanDerWaalsContact O-N 3.17Å; L793-L796 WeakPolarHBondContact O-CB 3.29Å; L793-L796 PolarHBondContact O-N 3.22Å
794T89.4Confident88.9Confident0 Ų028.5 Ų28.50%013%0.132CC..G310 helixtrans-63.1-19.4175.966.50000113I671 T673 H791 E792 L796 A797 N806 V839I671-T794 HydrophobicContact CG2-CG2 4.15Å; T673-T794 HydrophobicContact CG2-CG2 3.45Å; T673-T794 VanDerWaalsContact CG2-CG2 3.45Å; H791-T794 WeakPolarHBondContact O-CB 3.39Å; H791-T794 WeakPolarHBondContact O-CG2 3.4Å; H791-T794 PolarHBondContact O-N 3.18Å; H791-T794 VanDerWaalsContact O-N 3.13Å; H791-T794 PolarHBondContact O-OG1 3.27Å; E792-T794 PolarHBondContact O-N 3.36Å; E792-T794 VanDerWaalsContact O-N 3.15Å; T794-L796 PolarHBondContact O-N 2.9Å; T794-A797 PolarHBondContact O-N 3.47Å; T794-N806 WeakPolarHBondContact CA-OD1 3.46Å; T794-N806 WeakPolarHBondContact CB-ND2 3.23Å; T794-N806 PolarHBondContact O-ND2 3.24Å; T794-N806 PolarHBondContact O-OD1 2.96Å; T794-V839 HydrophobicContact CG2-CG1 3.94Å; T794-V839 HydrophobicContact CG2-CG2 3.99Å
795S87.4Confident88.9Confident0 Ų029.4 Ų29.40%014%0.14CC..G310 helixtrans-61.9-23.6172.3-62.60000112.6E792 L793 A797 Y798 Y799 L877 D880E792-S795 WeakPolarHBondContact O-CB 3.3Å; E792-S795 PolarHBondContact O-N 2.83Å; E792-S795 PolarHBondContact O-OG 3.23Å; L793-S795 PolarHBondContact O-N 2.92Å; L793-S795 VanDerWaalsContact O-N 3.17Å; S795-A797 PolarHBondContact O-N 3.13Å; S795-A797 VanDerWaalsContact O-N 3.15Å; S795-Y798 WeakPolarHBondContact O-CA 3.48Å; S795-Y798 VanDerWaalsContact O-CB 3.28Å; S795-Y798 WeakPolarHBondContact O-CB 3.24Å; S795-Y798 PolarHBondContact O-N 3.46Å; S795-Y799 WeakPolarHBondContact O-CD2 3.4Å; S795-Y799 PolarHBondContact O-N 2.92Å; S795-L877 WeakPolarHBondContact OG-CD2 3.43Å; S795-D880 WeakPolarHBondContact CB-OD2 3.38Å; S795-D880 PolarHBondContact OG-OD2 3.39Å
796L89Confident88.9Confident0 Ų030.2 Ų30.20%014%0.144CC..Hα-helixtrans-57.6-30.6178-171.564.2000113I671 W769 A772 S773 L793 T794 Y798 Y799 M800 V804I671-L796 HydrophobicContact CD1-CB 3.93Å; I671-L796 HydrophobicContact CD1-CD2 4.23Å; W769-L796 HydrophobicContact CH2-CB 4.15Å; W769-L796 HydrophobicContact CH2-CD1 4.39Å; W769-L796 HydrophobicContact CZ2-CB 4.49Å; W769-L796 HydrophobicContact CZ2-CD1 3.9Å; W769-L796 HydrophobicContact CZ3-CB 4.23Å; A772-L796 HydrophobicContact CB-CD2 3.55Å; S773-L796 VanDerWaalsContact OG-CD1 3.32Å; S773-L796 WeakPolarHBondContact OG-CD1 3.46Å; L793-L796 WeakPolarHBondContact O-CB 3.29Å; L793-L796 PolarHBondContact O-N 3.22Å; T794-L796 PolarHBondContact O-N 2.9Å; L796-Y798 PolarHBondContact O-N 3.08Å; L796-Y799 PolarHBondContact O-N 3.49Å; L796-M800 HydrophobicContact CD1-CE 4.36Å; L796-M800 HydrophobicContact CD1-CG 4.43Å; L796-M800 HydrophobicContact CD1-SD 4.35Å; L796-M800 PolarHBondContact O-N 2.93Å; L796-V804 HydrophobicContact CB-CG1 4.48Å; L796-V804 HydrophobicContact CD2-CG2 4.36Å; L796-V804 HydrophobicContact CG-CG1 4.36Å; L796-V804 HydrophobicContact CG-CG2 4.27Å
797A89.5Confident88.8Confident16 Ų1631.2 Ų31.213%0.13215%0.149CC..Hα-helixtrans-62.1-27.6174.400000113.3T794 S795 V804 N806T794-A797 PolarHBondContact O-N 3.47Å; S795-A797 PolarHBondContact O-N 3.13Å; S795-A797 VanDerWaalsContact O-N 3.15Å; A797-V804 HydrophobicContact CB-CB 4.46Å; A797-V804 HydrophobicContact CB-CG1 4.03Å; A797-N806 VanDerWaalsContact CB-ND2 3.31Å; A797-N806 WeakPolarHBondContact CB-ND2 3.25Å
798Y85.2Confident88.8Confident60 Ų6035 Ų3524%0.23516%0.163CC..Hα-helixtrans-75.6-43.9174.7-60.6-56.5000110.7S795 L796 M800 P801 D880 K881 I884S795-Y798 WeakPolarHBondContact O-CA 3.48Å; S795-Y798 VanDerWaalsContact O-CB 3.28Å; S795-Y798 WeakPolarHBondContact O-CB 3.24Å; S795-Y798 PolarHBondContact O-N 3.46Å; L796-Y798 PolarHBondContact O-N 3.08Å; Y798-M800 PolarHBondContact O-N 2.78Å; Y798-P801 WeakPolarHBondContact O-CD 3.37Å; Y798-D880 HydrophobicContact CD2-CB 4.38Å; Y798-K881 HydrophobicContact CE1-CB 4.18Å; Y798-K881 HydrophobicContact CE1-CG 3.97Å; Y798-K881 HydrophobicContact CE2-CB 4.2Å; Y798-I884 WeakPolarHBondContact O-CD1 3.25Å
799Y84.4Confident88.8Confident42 Ų4235.1 Ų35.117%0.16516%0.164CC..Hα-helixtrans-70.6-27.8179.9-62.6-84.2000114.1W769 S795 L796 P801 D880 S897 P898W769-Y799 AromaticContact CH2-CD2 3.61Å; W769-Y799 HydrophobicContact CH2-CD2 3.61Å; W769-Y799 AromaticContact CH2-CE2 3.59Å; W769-Y799 HydrophobicContact CH2-CE2 3.59Å; W769-Y799 AromaticContact CZ2-CD2 3.7Å; W769-Y799 HydrophobicContact CZ2-CD2 3.7Å; W769-Y799 AromaticContact CZ2-CE2 3.91Å; W769-Y799 HydrophobicContact CZ2-CE2 3.91Å; W769-Y799 HydrophobicContact CZ2-CG 4.41Å; S795-Y799 WeakPolarHBondContact O-CD2 3.4Å; S795-Y799 PolarHBondContact O-N 2.92Å; L796-Y799 PolarHBondContact O-N 3.49Å; Y799-P801 VanDerWaalsContact C-CD 3.4Å; Y799-P801 WeakPolarHBondContact O-CD 3.28Å; Y799-D880 PolarHBondContact OH-OD1 3.25Å; Y799-D880 VanDerWaalsContact OH-OD1 3.13Å; Y799-D880 PolarHBondContact OH-OD2 3.32Å; Y799-S897 WeakPolarHBondContact OH-CA 3.47Å; Y799-S897 WeakPolarHBondContact OH-CB 3.37Å; Y799-S897 PolarHBondContact OH-OG 3.5Å; Y799-P898 VanDerWaalsContact OH-CD 3.32Å; Y799-P898 WeakPolarHBondContact OH-CD 3.22Å
800M87.3Confident88.9Confident17 Ų1733.1 Ų33.18%0.08416%0.156CC..SBendtrans-122.964.9-179.4-63.1-169.9-179.500111.5A776 L796 Y798 R803 V804 F894A776-M800 HydrophobicContact CB-SD 3.89Å; L796-M800 HydrophobicContact CD1-CE 4.36Å; L796-M800 HydrophobicContact CD1-CG 4.43Å; L796-M800 HydrophobicContact CD1-SD 4.35Å; L796-M800 PolarHBondContact O-N 2.93Å; Y798-M800 PolarHBondContact O-N 2.78Å; M800-R803 HydrophobicContact CB-CB 4.3Å; M800-R803 PolarHBondContact O-N 2.93Å; M800-V804 HydrophobicContact CB-CB 4.33Å; M800-V804 HydrophobicContact CB-CG2 3.81Å; M800-V804 PolarHBondContact O-N 3.44Å; M800-V804 HydrophobicContact SD-CG2 4.3Å; M800-F894 HydrophobicContact CE-CE1 4.01Å; M800-F894 HydrophobicContact CE-CE2 4.29Å; M800-F894 HydrophobicContact CE-CZ 3.46Å; M800-F894 VanDerWaalsContact CE-CZ 3.46Å
801P83.3Confident88.7Confident59 Ų5933.2 Ų33.238%0.38316%0.158SC..THydrogen-bonded Turntrans-62.8150.5179.228.5-32.3000109.9Y798 Y799 R803 L891Y798-P801 WeakPolarHBondContact O-CD 3.37Å; Y799-P801 VanDerWaalsContact C-CD 3.4Å; Y799-P801 WeakPolarHBondContact O-CD 3.28Å; P801-R803 PolarHBondContact O-N 3.38Å; P801-L891 HydrophobicContact CG-CD1 4.01Å
802K86.6Confident88.6Confident163 Ų16335.8 Ų35.871%0.70917%0.173SC*.THydrogen-bonded Turntrans64.110.6-175.2-54.1177.3-176.51680115.3G665 K666G665-K802 CarbonylContact C-O 3.51Å; K666-K802 CarbonylContact C-O 3.53Å; K666-K802 PolarHBondContact N-O 3.16Å; K666-K802 CarbonylContact O-C 3.58Å; K666-K802 WeakPolarHBondContact O-CA 3.34Å
803R91.6Very high88.2Confident74 Ų7434.9 Ų34.928%0.27917%0.17SC..THydrogen-bonded Turntrans-130.3-48.2176.4-71.9177.9164-102.5-4.1112.2Q667 I668 F669 A776 S777 P778 M800 P801Q667-R803 CarbonylContact C-O 3.58Å; Q667-R803 WeakPolarHBondContact CA-O 3.49Å; I668-R803 HydrophobicContact CG1-CB 4.32Å; I668-R803 PolarHBondContact N-O 2.88Å; F669-R803 PolarHBondContact N-O 3.24Å; A776-R803 PolarHBondContact O-NH1 2.92Å; S777-R803 PolarHBondContact O-NH1 3.32Å; P778-R803 VanDerWaalsContact CA-NH1 3.3Å; P778-R803 VanDerWaalsContact CA-NH2 3.31Å; M800-R803 HydrophobicContact CB-CB 4.3Å; M800-R803 PolarHBondContact O-N 2.93Å; P801-R803 PolarHBondContact O-N 3.38Å
804V94.2Very high87.2Confident9 Ų936.5 Ų36.56%0.05518%0.181CC..EExtended strand (participates in β ladder)trans-107.6134.9-177.8-179.70000109.5F669 I671 A776 L796 A797 M800F669-V804 HydrophobicContact CB-CG2 4.1Å; F669-V804 CarbonylContact O-C 3.13Å; F669-V804 VanDerWaalsContact O-CA 3.31Å; F669-V804 WeakPolarHBondContact O-CA 3.47Å; I671-V804 HydrophobicContact CD1-CG1 3.54Å; I671-V804 HydrophobicContact CG1-CG1 4Å; A776-V804 HydrophobicContact CB-CG2 3.59Å; L796-V804 HydrophobicContact CB-CG1 4.48Å; L796-V804 HydrophobicContact CD2-CG2 4.36Å; L796-V804 HydrophobicContact CG-CG1 4.36Å; L796-V804 HydrophobicContact CG-CG2 4.27Å; A797-V804 HydrophobicContact CB-CB 4.46Å; A797-V804 HydrophobicContact CB-CG1 4.03Å; M800-V804 HydrophobicContact CB-CB 4.33Å; M800-V804 HydrophobicContact CB-CG2 3.81Å; M800-V804 PolarHBondContact O-N 3.44Å; M800-V804 HydrophobicContact SD-CG2 4.3Å
805A94.7Very high85.7Confident19 Ų1940.7 Ų40.716%0.15720%0.203CC..EExtended strand (participates in β ladder)trans-133.2148.517400000111.7Q667 F669 L670 I671Q667-A805 HydrophobicContact CB-CB 3.92Å; F669-A805 PolarHBondContact O-N 2.93Å; L670-A805 WeakPolarHBondContact CA-O 3.15Å; L670-A805 HydrophobicContact CD2-CB 3.89Å; I671-A805 PolarHBondContact N-O 2.99Å
806N94.7Very high83.8Confident18 Ų1846 Ų4610%0.09623%0.232CC..EExtended strand (participates in β ladder)trans-98.5132-179.1-65.8-34.5000111.1T794 A797 G838 V839T794-N806 WeakPolarHBondContact CA-OD1 3.46Å; T794-N806 WeakPolarHBondContact CB-ND2 3.23Å; T794-N806 PolarHBondContact O-ND2 3.24Å; T794-N806 PolarHBondContact O-OD1 2.96Å; A797-N806 VanDerWaalsContact CB-ND2 3.31Å; A797-N806 WeakPolarHBondContact CB-ND2 3.25Å; N806-G838 CarbonylContact C-O 3.57Å; N806-G838 PolarHBondContact O-N 2.98Å; N806-V839 HydrophobicContact CB-CG2 3.94Å
807L94.5Very high81.6Confident22 Ų2254.1 Ų54.112%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-120.3151170.7-59.8-177.7000110L670 I671 I672 T673 Y683 V835 E836 A837 G838L670-L807 HydrophobicContact CB-CD1 4.24Å; L670-L807 HydrophobicContact CD1-CD1 3.89Å; L670-L807 HydrophobicContact CD2-CD1 4.35Å; L670-L807 HydrophobicContact CD2-CG 4.48Å; L670-L807 HydrophobicContact CG-CD1 4.38Å; I671-L807 PolarHBondContact O-N 3.35Å; I672-L807 WeakPolarHBondContact CA-O 3.1Å; I672-L807 HydrophobicContact CG1-CB 4.22Å; I672-L807 HydrophobicContact CG1-CD1 4.37Å; T673-L807 PolarHBondContact N-O 3.31Å; T673-L807 PolarHBondContact OG1-O 3Å; Y683-L807 HydrophobicContact CE1-CD1 4.08Å; Y683-L807 WeakPolarHBondContact OH-CD1 3.49Å; L807-V835 HydrophobicContact CB-CG1 3.78Å; L807-V835 HydrophobicContact CD1-CG1 3.92Å; L807-V835 HydrophobicContact CG-CG1 4.34Å; L807-E836 CarbonylContact C-O 3.52Å; L807-E836 WeakPolarHBondContact CA-O 3.45Å; L807-A837 HydrophobicContact CD2-CB 4.44Å; L807-G838 CarbonylContact C-O 3.44Å; L807-G838 WeakPolarHBondContact CA-O 3.22Å; L807-G838 PolarHBondContact N-O 2.81Å
808R92.6Very high79.1Confident78 Ų7861.4 Ų61.429%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-129.9148175.568.3-177.8-173.6171.53.8111.1T673 V835 E836 G838 V839 C840T673-R808 CarbonylContact O-C 3.45Å; T673-R808 VanDerWaalsContact O-CA 3.28Å; T673-R808 WeakPolarHBondContact O-CA 3.36Å; R808-V835 WeakPolarHBondContact O-CA 3.43Å; R808-E836 PolarHBondContact N-O 2.93Å; R808-E836 IonicContact NH2-OE2 2.75Å; R808-E836 PolarHBondContact O-N 3.26Å; R808-G838 PolarHBondContact N-O 3.3Å; R808-V839 VanDerWaalsContact CD-O 3.3Å; R808-V839 WeakPolarHBondContact CD-O 3.31Å; R808-C840 HydrophobicContact CB-CB 4.43Å
809V91.6Very high76.8Confident3 Ų366.4 Ų66.42%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-92.5129.1171.2-175.20000110.1I672 T673 G678 K680 V835I672-V809 HydrophobicContact CG2-CG2 4.08Å; T673-V809 PolarHBondContact O-N 2.77Å; G678-V809 WeakPolarHBondContact O-CG1 3.11Å; K680-V809 HydrophobicContact CG-CG2 3.78Å; V809-V835 HydrophobicContact CG2-CG2 4.3Å
810L88Confident74.5Confident32 Ų3269.4 Ų69.417%0.16835%0.35CS..EExtended strand (participates in β ladder)trans-78.4141.1-178.6-64-177.3000113L832 K834 E836L810-L832 HydrophobicContact CB-CB 4.05Å; L810-L832 HydrophobicContact CB-CD1 3.95Å; L810-L832 PolarHBondContact O-N 2.77Å; L810-K834 HydrophobicContact CD1-CB 4.19Å; L810-K834 HydrophobicContact CD1-CG 4.39Å; L810-K834 PolarHBondContact N-O 2.9Å; L810-E836 HydrophobicContact CD1-CG 3.78Å; L810-E836 WeakPolarHBondContact CD1-OE1 3.32Å; L810-E836 HydrophobicContact CD2-CG 4.46Å; L810-E836 HydrophobicContact CG-CG 4.1Å
811C83.4Confident72.1Confident13 Ų1377.8 Ų77.89%0.08839%0.389CS..EExtended strand (participates in β ladder)trans-139.6137.3175.5-177.30000109P675 V829 M831 Y844P675-C811 HydrophobicContact CG-CB 4.09Å; C811-V829 WeakPolarHBondContact SG-CG1 3.31Å; C811-M831 HydrophobicContact CB-SD 4.3Å; C811-Y844 HydrophobicContact CB-CD1 4.36Å; C811-Y844 HydrophobicContact CB-CD2 4.22Å; C811-Y844 HydrophobicContact CB-CE1 3.99Å; C811-Y844 HydrophobicContact CB-CE2 3.84Å; C811-Y844 HydrophobicContact CB-CG 4.47Å
812N81.6Confident70Confident87 Ų8782.2 Ų82.247%0.46541%0.409SS..EExtended strand (participates in β ladder)trans-105.6133.4174.2-168.724.2000110T830 L832N812-T830 PolarHBondContact N-O 2.68Å; N812-T830 PolarHBondContact O-N 2.78Å; N812-L832 HydrophobicContact CB-CD1 4.25Å; N812-L832 HydrophobicContact CB-CD2 4.36Å; N812-L832 HydrophobicContact CB-CG 4.32Å
813V74.1Confident67.7Low20 Ų2082.9 Ų82.912%0.12141%0.412CS..EExtended strand (participates in β ladder)trans-118.3103.1174.9-177.20000106.8T827 V829 Y844V813-T827 HydrophobicContact CG1-CG2 3.51Å; V813-V829 HydrophobicContact CG2-CG2 4.37Å; V813-Y844 HydrophobicContact CG2-CD1 3.73Å; V813-Y844 HydrophobicContact CG2-CE1 3.68Å
814S67.9Low65.5Low34 Ų3488.4 Ų88.424%0.23844%0.441CS..EExtended strand (participates in β ladder)trans-85.1116.5172.854.30000108.9K828S814-K828 PolarHBondContact N-O 2.65Å; S814-K828 VanDerWaalsContact N-O 3.13Å; S814-K828 PolarHBondContact O-N 3.36Å; S814-K828 PolarHBondContact OG-O 3.03Å
815N58.6Low63.2Low88 Ų8891.4 Ų91.447%0.47146%0.463SS..  trans-93.998.5160.9-74.3-29.7000106K817 T827N815-K817 HydrophobicContact CB-CG 4.25Å; N815-K817 PolarHBondContact O-N 3.31Å; N815-T827 VanDerWaalsContact OD1-CG2 3.29Å; N815-T827 WeakPolarHBondContact OD1-CG2 3.45Å
816D47.3Very low61.2Low113 Ų11398.4 Ų98.460%0.60449%0.492SS*.  trans-6976.4170.5-71.3-13.1000107.9E818D816-E818 VanDerWaalsContact C-N 3.35Å
817K43.4Very low59.7Low170 Ų17098.3 Ų98.374%0.73949%0.492SS*.  trans-90.9-3.4173.3-78.8-174.2178.2-175.20112.1N815N815-K817 HydrophobicContact CB-CG 4.25Å; N815-K817 PolarHBondContact O-N 3.31Å
818E35.9Very low58.5Low169 Ų169103.7 Ų103.779%0.7952%0.515SS*.SBendtrans-115.9118.9175.1-67.9-173.8168.500108.8D816D816-E818 VanDerWaalsContact C-N 3.35Å
819I36.3Very low57.6Low164 Ų164101 Ų10184%0.84151%0.507SS*.SBendtrans98.4111.3173.2-46.6157.4000114
820V37.8Very low57.2Low105 Ų105103.7 Ų103.764%0.63652%0.523SS*.  trans9289.5174.1-158.70000116N822V820-N822 PolarHBondContact O-N 3.03Å
821E37Very low56.9Low194 Ų194103.6 Ų103.691%0.90752%0.522SS*.THydrogen-bonded Turntrans-57.916.1171.3-71.1-177144.900116.5
822N38.8Very low57.2Low151 Ų151106.3 Ų106.381%0.80754%0.536SS*.THydrogen-bonded Turntrans-147.819.2-173.5-86-42000116V820V820-N822 PolarHBondContact O-N 3.03Å
823K38Very low57.5Low177 Ų177107.3 Ų107.377%0.7753%0.534SS*.SBendtrans-133.3130.4166.8-72.9-174.1176.7-1790109S825K823-S825 PolarHBondContact O-N 2.71Å; K823-S825 VanDerWaalsContact O-N 3.16Å
824E44.4Very low58.4Low190 Ų190109.4 Ų109.489%0.88854%0.541SS*.  trans-43.6122.4174.2-67.8175.2155.700109.1E826E824-E826 PolarHBondContact O-N 2.79Å
825S45.8Very low59.6Low72 Ų72108.5 Ų108.550%0.50353%0.534SS..  trans-61.4101.3-179.154.30000109.1K823 T827K823-S825 PolarHBondContact O-N 2.71Å; K823-S825 VanDerWaalsContact O-N 3.16Å; S825-T827 PolarHBondContact O-N 3.26Å; S825-T827 VanDerWaalsContact O-N 3.07Å
826E53.9Low61.3Low167 Ų167108.2 Ų108.278%0.7853%0.53SS*.  trans-70.4101.6173.5-77.2-175.6172.400108.7E824 K828E824-E826 PolarHBondContact O-N 2.79Å; E826-K828 PolarHBondContact O-N 2.75Å; E826-K828 VanDerWaalsContact O-N 3.11Å
827T62.4Low63.4Low16 Ų16106.8 Ų106.810%0.09853%0.534CS..  trans-63.9110.4170.8-48.20000108.8V813 N815 S825 L851V813-T827 HydrophobicContact CG1-CG2 3.51Å; N815-T827 VanDerWaalsContact OD1-CG2 3.29Å; N815-T827 WeakPolarHBondContact OD1-CG2 3.45Å; S825-T827 PolarHBondContact O-N 3.26Å; S825-T827 VanDerWaalsContact O-N 3.07Å; T827-L851 WeakPolarHBondContact O-CD2 3.48Å
828K70.1Confident65.5Low134 Ų134100 Ų10058%0.58351%0.513SS*.EExtended strand (participates in β ladder)trans-100.2115.6-178.9-166.6176.6-179.4178.10110.5S814 E826S814-K828 PolarHBondContact N-O 2.65Å; S814-K828 VanDerWaalsContact N-O 3.13Å; S814-K828 PolarHBondContact O-N 3.36Å; S814-K828 PolarHBondContact OG-O 3.03Å; E826-K828 PolarHBondContact O-N 2.75Å; E826-K828 VanDerWaalsContact O-N 3.11Å
829V74.4Confident67.8Low22 Ų2293.6 Ų93.613%0.13349%0.485CS..EExtended strand (participates in β ladder)trans-90.6115.8173.9-1750000108.3C811 V813 M831 D847 L851C811-V829 WeakPolarHBondContact SG-CG1 3.31Å; V813-V829 HydrophobicContact CG2-CG2 4.37Å; V829-M831 HydrophobicContact CG1-CE 4.13Å; V829-D847 HydrophobicContact CG2-CB 3.54Å; V829-L851 HydrophobicContact CB-CD1 3.54Å; V829-L851 HydrophobicContact CG2-CD1 3.51Å; V829-L851 HydrophobicContact CG2-CG 4.36Å
830T81.4Confident69.9Low59 Ų5986.3 Ų86.336%0.36245%0.448SS..EExtended strand (participates in β ladder)trans-114.6117.4177.9-51.90000109.5N812 L832N812-T830 PolarHBondContact N-O 2.68Å; N812-T830 PolarHBondContact O-N 2.78Å; T830-L832 PolarHBondContact O-N 3.21Å
831M82.8Confident71.4Confident30 Ų3086.1 Ų86.115%0.14845%0.452CS..EExtended strand (participates in β ladder)trans-72.9123.7174.5-59.6-58.9175.200109.1P675 N676 C811 V829 Y833P675-M831 HydrophobicContact CB-CE 4.07Å; P675-M831 HydrophobicContact CB-SD 4.37Å; P675-M831 HydrophobicContact CG-CE 4.17Å; P675-M831 HydrophobicContact CG-SD 3.81Å; N676-M831 WeakPolarHBondContact O-CE 3.29Å; C811-M831 HydrophobicContact CB-SD 4.3Å; V829-M831 HydrophobicContact CG1-CE 4.13Å; M831-Y833 HydrophobicContact CB-CD1 4.33Å; M831-Y833 HydrophobicContact CB-CD2 4.38Å; M831-Y833 HydrophobicContact CB-CE1 3.88Å; M831-Y833 HydrophobicContact CB-CE2 3.95Å; M831-Y833 WeakPolarHBondContact O-CD2 3.36Å
832L88.4Confident72.8Confident70 Ų7081.9 Ų81.937%0.36643%0.427SS..EExtended strand (participates in β ladder)trans-87.5-11.4180-63.7178.3000112.4I656 L810 N812 T830 K834I656-L832 WeakPolarHBondContact CD1-O 3.33Å; L810-L832 HydrophobicContact CB-CB 4.05Å; L810-L832 HydrophobicContact CB-CD1 3.95Å; L810-L832 PolarHBondContact O-N 2.77Å; N812-L832 HydrophobicContact CB-CD1 4.25Å; N812-L832 HydrophobicContact CB-CD2 4.36Å; N812-L832 HydrophobicContact CB-CG 4.32Å; T830-L832 PolarHBondContact O-N 3.21Å; L832-K834 PolarHBondContact O-N 3.04Å
833Y89.9Confident74.3Confident108 Ų10877 Ų7742%0.42441%0.405SS..EExtended strand (participates in β ladder)trans52.311.3-178.6-54.7-72000115.6I656 N658 M677 G678 M831I656-Y833 HydrophobicContact CD1-CD2 4.24Å; N658-Y833 PolarHBondContact ND2-O 2.77Å; M677-Y833 WeakPolarHBondContact O-CE1 3.26Å; G678-Y833 WeakPolarHBondContact O-CD1 3.25Å; M831-Y833 HydrophobicContact CB-CD1 4.33Å; M831-Y833 HydrophobicContact CB-CD2 4.38Å; M831-Y833 HydrophobicContact CB-CE1 3.88Å; M831-Y833 HydrophobicContact CB-CE2 3.95Å; M831-Y833 WeakPolarHBondContact O-CD2 3.36Å
834K92.6Very high76.1Confident64 Ų6469.6 Ų69.628%0.27837%0.372SS..EExtended strand (participates in β ladder)trans-92.6131.7176.9-169.473.7-169.4179.40109.6I656 P657 N658 L810 L832 E836I656-K834 HydrophobicContact CG2-CD 4.3Å; P657-K834 PolarHBondContact O-NZ 3Å; N658-K834 WeakPolarHBondContact OD1-CA 3.31Å; L810-K834 HydrophobicContact CD1-CB 4.19Å; L810-K834 HydrophobicContact CD1-CG 4.39Å; L810-K834 PolarHBondContact N-O 2.9Å; L832-K834 PolarHBondContact O-N 3.04Å; K834-E836 HydrophobicContact CG-CG 4.49Å
835V93.5Very high77.8Confident15 Ų1562.9 Ų62.99%0.09135%0.354CS..EExtended strand (participates in β ladder)trans-99128.2175.4-173.60000108.8N658 Y683 L807 R808 V809N658-V835 PolarHBondContact OD1-N 2.95Å; Y683-V835 HydrophobicContact CD1-CG2 4.47Å; Y683-V835 HydrophobicContact CD2-CB 4.28Å; Y683-V835 HydrophobicContact CD2-CG2 3.62Å; Y683-V835 HydrophobicContact CE1-CG1 4.41Å; Y683-V835 HydrophobicContact CE2-CB 4.12Å; Y683-V835 HydrophobicContact CE2-CG1 4.3Å; Y683-V835 HydrophobicContact CE2-CG2 3.98Å; Y683-V835 HydrophobicContact CG-CG2 3.88Å; L807-V835 HydrophobicContact CB-CG1 3.78Å; L807-V835 HydrophobicContact CD1-CG1 3.92Å; L807-V835 HydrophobicContact CG-CG1 4.34Å; R808-V835 WeakPolarHBondContact O-CA 3.43Å; V809-V835 HydrophobicContact CG2-CG2 4.3Å
836E92.4Very high79.5Confident83 Ų8361.1 Ų61.139%0.38834%0.339SS..EExtended strand (participates in β ladder)trans-128.2159.9178.2-72-171.5167.600111.1L807 R808 L810 K834L807-E836 CarbonylContact C-O 3.52Å; L807-E836 WeakPolarHBondContact CA-O 3.45Å; R808-E836 PolarHBondContact N-O 2.93Å; R808-E836 IonicContact NH2-OE2 2.75Å; R808-E836 PolarHBondContact O-N 3.26Å; L810-E836 HydrophobicContact CD1-CG 3.78Å; L810-E836 WeakPolarHBondContact CD1-OE1 3.32Å; L810-E836 HydrophobicContact CD2-CG 4.46Å; L810-E836 HydrophobicContact CG-CG 4.1Å; K834-E836 HydrophobicContact CG-CG 4.49Å
837A92Very high80.7Confident82 Ų8254.2 Ų54.268%0.67831%0.307SS*.EExtended strand (participates in β ladder)trans-64.3141.8171.800000111.6L807L807-A837 HydrophobicContact CD2-CB 4.44Å
838G88Confident81.5Confident29 Ų2956.5 Ų56.530%0.29932%0.321SS..SBendtrans121.2-171.6175.600000113.7N806 L807 R808N806-G838 CarbonylContact C-O 3.57Å; N806-G838 PolarHBondContact O-N 2.98Å; L807-G838 CarbonylContact C-O 3.44Å; L807-G838 WeakPolarHBondContact CA-O 3.22Å; L807-G838 PolarHBondContact N-O 2.81Å; R808-G838 PolarHBondContact N-O 3.3Å
839V84.9Confident82.1Confident33 Ų3351 Ų5120%0.230%0.301CS..  trans-110.2144.6-177.5-179.70000109.3T794 N806 R808 S841T794-V839 HydrophobicContact CG2-CG1 3.94Å; T794-V839 HydrophobicContact CG2-CG2 3.99Å; N806-V839 HydrophobicContact CB-CG2 3.94Å; R808-V839 VanDerWaalsContact CD-O 3.3Å; R808-V839 WeakPolarHBondContact CD-O 3.31Å; V839-S841 PolarHBondContact O-N 2.96Å
840C79.8Confident82.6Confident11 Ų1153.1 Ų53.17%0.07431%0.306CS..  trans-68.6122.7172.4-165.60000109.6T673 R808 R842T673-C840 PolarHBondContact OG1-N 2.81Å; R808-C840 HydrophobicContact CB-CB 4.43Å; C840-R842 PolarHBondContact SG-O 3.14Å
841S68Low82.4Confident101 Ų10154.8 Ų54.871%0.70631%0.312SS*.  trans-82.8-15.2-172.559.60000114.8V839V839-S841 PolarHBondContact O-N 2.96Å
842R68.1Low82.5Confident106 Ų10656.9 Ų56.940%0.434%0.335SS..SBendtrans-150151.7-178.360.9179.7175.3175.90.5110.6C840 Y844C840-R842 PolarHBondContact SG-O 3.14Å; R842-Y844 HydrophobicContact CG-CE1 4.17Å; R842-Y844 HydrophobicContact CG-CE2 4.39Å; R842-Y844 VanDerWaalsContact NE-CE1 3.3Å
843S70.3Confident82.2Confident47 Ų4756.5 Ų56.533%0.32935%0.347SS..  trans-79.2137.7167.373.90000109.6
844Y75.5Confident82.1Confident22 Ų2255.1 Ų55.19%0.08635%0.347CS..  trans-988.9175.3-59.9-86000112.4P675 C811 V813 R842 L846 D847 V848P675-Y844 HydrophobicContact CB-CD2 3.75Å; P675-Y844 HydrophobicContact CB-CG 4.22Å; P675-Y844 HydrophobicContact CG-CD2 3.73Å; P675-Y844 HydrophobicContact CG-CE2 4.28Å; P675-Y844 HydrophobicContact CG-CG 4.45Å; C811-Y844 HydrophobicContact CB-CD1 4.36Å; C811-Y844 HydrophobicContact CB-CD2 4.22Å; C811-Y844 HydrophobicContact CB-CE1 3.99Å; C811-Y844 HydrophobicContact CB-CE2 3.84Å; C811-Y844 HydrophobicContact CB-CG 4.47Å; V813-Y844 HydrophobicContact CG2-CD1 3.73Å; V813-Y844 HydrophobicContact CG2-CE1 3.68Å; R842-Y844 HydrophobicContact CG-CE1 4.17Å; R842-Y844 HydrophobicContact CG-CE2 4.39Å; R842-Y844 VanDerWaalsContact NE-CE1 3.3Å; Y844-L846 VanDerWaalsContact C-N 3.31Å; Y844-L846 PolarHBondContact O-N 3.25Å; Y844-D847 PolarHBondContact O-N 2.76Å; Y844-V848 WeakPolarHBondContact O-CG2 3.37Å; Y844-V848 PolarHBondContact O-N 2.99Å
845G79.1Confident81.9Confident49 Ų4955.6 Ų55.651%0.50536%0.356SS..Hα-helixtrans-60.9-40.3-175.100000112.5V848 A849G845-V848 PolarHBondContact O-N 3.28Å; G845-A849 WeakPolarHBondContact O-CB 3.48Å; G845-A849 PolarHBondContact O-N 3.39Å
846L81.6Confident81.6Confident36 Ų3659 Ų5919%0.18837%0.373CS..Hα-helixtrans-70.1-35.1179.4-62.1175.8000112.5Y844 A849 R850 A862 E863 T866Y844-L846 VanDerWaalsContact C-N 3.31Å; Y844-L846 PolarHBondContact O-N 3.25Å; L846-A849 WeakPolarHBondContact O-CB 3.43Å; L846-A849 PolarHBondContact O-N 3.01Å; L846-R850 PolarHBondContact O-N 3.39Å; L846-A862 HydrophobicContact CD2-CB 3.54Å; L846-E863 HydrophobicContact CD1-CB 4.32Å; L846-E863 HydrophobicContact CD1-CG 3.7Å; L846-T866 HydrophobicContact CD1-CG2 4.45Å
847D79.6Confident81.5Confident22 Ų2261.9 Ų61.912%0.11839%0.387CS..Hα-helixtrans-68-39.6174.7-61.5-52.6000111.4V829 Y844 R850 L851V829-D847 HydrophobicContact CG2-CB 3.54Å; Y844-D847 PolarHBondContact O-N 2.76Å; D847-R850 WeakPolarHBondContact O-CB 3.27Å; D847-R850 PolarHBondContact O-N 3.47Å; D847-R850 IonicContact OD1-CZ 2.75Å; D847-R850 IonicContact OD1-NH1 3.54Å; D847-R850 PolarHBondContact OD1-NH1 3.17Å; D847-R850 IonicContact OD1-NH2 2.87Å; D847-L851 PolarHBondContact O-N 3.02Å
848V79.3Confident81.4Confident63 Ų6361.5 Ų61.538%0.38238%0.376SS..Hα-helixtrans-66.1-38.7173.4176.10000111.1Y844 G845 R850 L851 A852Y844-V848 WeakPolarHBondContact O-CG2 3.37Å; Y844-V848 PolarHBondContact O-N 2.99Å; G845-V848 PolarHBondContact O-N 3.28Å; V848-R850 VanDerWaalsContact C-N 3.32Å; V848-R850 PolarHBondContact O-N 2.79Å; V848-L851 WeakPolarHBondContact O-CB 3.34Å; V848-L851 PolarHBondContact O-N 3.21Å; V848-A852 WeakPolarHBondContact O-CB 3.44Å; V848-A852 PolarHBondContact O-N 3.5Å
849A83.3Confident81.5Confident19 Ų1960.3 Ų60.316%0.15736%0.362CS..Hα-helixtrans-62.5-39.117400000112.2G845 L846 A852 G853 L854G845-A849 WeakPolarHBondContact O-CB 3.48Å; G845-A849 PolarHBondContact O-N 3.39Å; L846-A849 WeakPolarHBondContact O-CB 3.43Å; L846-A849 PolarHBondContact O-N 3.01Å; A849-A852 PolarHBondContact O-N 3.32Å; A849-G853 PolarHBondContact O-N 3.41Å; A849-L854 HydrophobicContact CB-CD1 4.26Å; A849-L854 HydrophobicContact CB-CD2 4.13Å; A849-L854 WeakPolarHBondContact O-CD1 3.38Å; A849-L854 PolarHBondContact O-N 3.49Å; A849-L854 VanDerWaalsContact O-N 3.14Å
850R83.3Confident81.6Confident67 Ų6764.9 Ų64.925%0.25338%0.38SS..Hα-helixtrans-61.4-44.3173.6-159.7178.2-60.7111.21.7111.5L846 D847 V848 A852 G853 I859 E863L846-R850 PolarHBondContact O-N 3.39Å; D847-R850 WeakPolarHBondContact O-CB 3.27Å; D847-R850 PolarHBondContact O-N 3.47Å; D847-R850 IonicContact OD1-CZ 2.75Å; D847-R850 IonicContact OD1-NH1 3.54Å; D847-R850 PolarHBondContact OD1-NH1 3.17Å; D847-R850 IonicContact OD1-NH2 2.87Å; V848-R850 VanDerWaalsContact C-N 3.32Å; V848-R850 PolarHBondContact O-N 2.79Å; R850-A852 VanDerWaalsContact C-N 3.34Å; R850-A852 PolarHBondContact O-N 3.27Å; R850-G853 PolarHBondContact O-N 3.15Å; R850-I859 HydrophobicContact CB-CD1 3.79Å; R850-I859 HydrophobicContact CG-CD1 3.89Å; R850-E863 IonicContact CZ-OE1 3.94Å; R850-E863 IonicContact NH2-OE1 2.86Å; R850-E863 PolarHBondContact NH2-OE1 2.89Å
851L78.4Confident82Confident93 Ų9371.5 Ų71.549%0.48741%0.409SS..Hα-helixtrans-64.4-34.7174.6-77.4174.5000113.6T827 V829 D847 V848 G853T827-L851 WeakPolarHBondContact O-CD2 3.48Å; V829-L851 HydrophobicContact CB-CD1 3.54Å; V829-L851 HydrophobicContact CG2-CD1 3.51Å; V829-L851 HydrophobicContact CG2-CG 4.36Å; D847-L851 PolarHBondContact O-N 3.02Å; V848-L851 WeakPolarHBondContact O-CB 3.34Å; V848-L851 PolarHBondContact O-N 3.21Å; L851-G853 PolarHBondContact O-N 2.99Å
852A83.9Confident83Confident75 Ų7568.1 Ų68.162%0.6239%0.388SS*.THydrogen-bonded Turntrans-73.4-4.2176.900000113.3V848 A849 R850 L854V848-A852 WeakPolarHBondContact O-CB 3.44Å; V848-A852 PolarHBondContact O-N 3.5Å; A849-A852 PolarHBondContact O-N 3.32Å; R850-A852 VanDerWaalsContact C-N 3.34Å; R850-A852 PolarHBondContact O-N 3.27Å; A852-L854 HydrophobicContact CB-CD1 4.01Å
853G83.7Confident83.9Confident61 Ų6166.6 Ų66.663%0.62939%0.385SS*.THydrogen-bonded Turntrans81.326.8177.900000114.2A849 R850 L851A849-G853 PolarHBondContact O-N 3.41Å; R850-G853 PolarHBondContact O-N 3.15Å; L851-G853 PolarHBondContact O-N 2.99Å
854L86Confident84.6Confident79 Ų7969.8 Ų69.841%0.41440%0.395SS..  trans-63.7145.2172.7-89.376.3000110.7A849 A852 I856 I859A849-L854 HydrophobicContact CB-CD1 4.26Å; A849-L854 HydrophobicContact CB-CD2 4.13Å; A849-L854 WeakPolarHBondContact O-CD1 3.38Å; A849-L854 PolarHBondContact O-N 3.49Å; A849-L854 VanDerWaalsContact O-N 3.14Å; A852-L854 HydrophobicContact CB-CD1 4.01Å; L854-I856 PolarHBondContact O-N 3.47Å; L854-I859 HydrophobicContact CB-CD1 4.17Å; L854-I859 HydrophobicContact CB-CG1 4.13Å; L854-I859 WeakPolarHBondContact O-CD1 3.46Å
855P88.8Confident85Confident74 Ų7473.6 Ų73.648%0.48141%0.413SS..  trans-55.6134.8178.6-24.533.4000111.9E857 V858 I859P855-E857 PolarHBondContact O-N 3.26Å; P855-E857 VanDerWaalsContact O-N 3.16Å; P855-V858 HydrophobicContact CB-CB 4.5Å; P855-V858 HydrophobicContact CB-CG2 4.06Å; P855-V858 HydrophobicContact CG-CG2 4.29Å; P855-V858 WeakPolarHBondContact O-CB 3.37Å; P855-V858 PolarHBondContact O-N 2.9Å; P855-I859 PolarHBondContact O-N 3.29Å; P855-I859 VanDerWaalsContact O-N 3.12Å
856I87.7Confident85.1Confident86 Ų8673 Ų7344%0.44140%0.4SS..Hα-helixtrans-61.6-29.4-174.7-162.564.8000112.5L854 I859 K860L854-I856 PolarHBondContact O-N 3.47Å; I856-I859 HydrophobicContact CD1-CD1 4.42Å; I856-I859 PolarHBondContact O-N 3.2Å; I856-K860 WeakPolarHBondContact O-CB 3.05Å; I856-K860 WeakPolarHBondContact O-CG 3.29Å; I856-K860 PolarHBondContact O-N 3.09Å
857E89.6Confident84.9Confident144 Ų14473.7 Ų73.767%0.67341%0.408SS*.Hα-helixtrans-65.8-40.5175.8-59.4120.1169.400111.5P855 K860 Q861P855-E857 PolarHBondContact O-N 3.26Å; P855-E857 VanDerWaalsContact O-N 3.16Å; E857-K860 PolarHBondContact O-N 3.37Å; E857-Q861 WeakPolarHBondContact O-CB 3.21Å; E857-Q861 PolarHBondContact O-N 2.73Å
858V90.9Very high84.7Confident74 Ų7477.3 Ų77.345%0.44842%0.423SS..Hα-helixtrans-64.6-42.8176178.10000110.1P855 Q861 A862P855-V858 HydrophobicContact CB-CB 4.5Å; P855-V858 HydrophobicContact CB-CG2 4.06Å; P855-V858 HydrophobicContact CG-CG2 4.29Å; P855-V858 WeakPolarHBondContact O-CB 3.37Å; P855-V858 PolarHBondContact O-N 2.9Å; V858-Q861 PolarHBondContact O-N 3.34Å; V858-A862 WeakPolarHBondContact O-CB 2.96Å; V858-A862 PolarHBondContact O-N 3.31Å
859I88.9Confident84.4Confident4 Ų478 Ų782%0.02142%0.424CS..Hα-helixtrans-63.2-46.8177.5-62171.1000110.5R850 L854 P855 I856 Q861 A862 E863R850-I859 HydrophobicContact CB-CD1 3.79Å; R850-I859 HydrophobicContact CG-CD1 3.89Å; L854-I859 HydrophobicContact CB-CD1 4.17Å; L854-I859 HydrophobicContact CB-CG1 4.13Å; L854-I859 WeakPolarHBondContact O-CD1 3.46Å; P855-I859 PolarHBondContact O-N 3.29Å; P855-I859 VanDerWaalsContact O-N 3.12Å; I856-I859 HydrophobicContact CD1-CD1 4.42Å; I856-I859 PolarHBondContact O-N 3.2Å; I859-Q861 VanDerWaalsContact C-N 3.32Å; I859-Q861 PolarHBondContact O-N 3.01Å; I859-A862 PolarHBondContact O-N 3.25Å; I859-A862 VanDerWaalsContact O-N 3.17Å; I859-E863 HydrophobicContact CG2-CG 4.26Å; I859-E863 WeakPolarHBondContact CG2-OE1 3.14Å; I859-E863 WeakPolarHBondContact O-CB 3.45Å; I859-E863 WeakPolarHBondContact O-CG 3.49Å; I859-E863 PolarHBondContact O-N 3Å
860K87.7Confident83.9Confident130 Ų13080.7 Ų80.757%0.56543%0.434SS*.Hα-helixtrans-60.4-40.7177.1-76.3177178.8-1800112.5I856 E857 H864I856-K860 WeakPolarHBondContact O-CB 3.05Å; I856-K860 WeakPolarHBondContact O-CG 3.29Å; I856-K860 PolarHBondContact O-N 3.09Å; E857-K860 PolarHBondContact O-N 3.37Å; K860-H864 PolarHBondContact O-N 3.42Å
861Q88.9Confident83.4Confident149 Ų14981 Ų8170%0.69644%0.438SS*.Hα-helixtrans-65.4-41.6176.2-174.6177.5-10.500111.2E857 V858 I859 H864 Q865E857-Q861 WeakPolarHBondContact O-CB 3.21Å; E857-Q861 PolarHBondContact O-N 2.73Å; V858-Q861 PolarHBondContact O-N 3.34Å; I859-Q861 VanDerWaalsContact C-N 3.32Å; I859-Q861 PolarHBondContact O-N 3.01Å; Q861-H864 PolarHBondContact O-N 3.45Å; Q861-Q865 PolarHBondContact O-N 2.97Å; Q861-Q865 VanDerWaalsContact O-N 3.14Å
862A88.5Confident83.1Confident31 Ų3182.5 Ų82.526%0.25645%0.446SS..Hα-helixtrans-65.8-44.3176.100000111.7L846 V858 I859 H864 Q865 T866L846-A862 HydrophobicContact CD2-CB 3.54Å; V858-A862 WeakPolarHBondContact O-CB 2.96Å; V858-A862 PolarHBondContact O-N 3.31Å; I859-A862 PolarHBondContact O-N 3.25Å; I859-A862 VanDerWaalsContact O-N 3.17Å; A862-H864 VanDerWaalsContact C-N 3.31Å; A862-H864 PolarHBondContact O-N 3.44Å; A862-Q865 PolarHBondContact O-N 3.03Å; A862-Q865 VanDerWaalsContact O-N 3.09Å; A862-T866 WeakPolarHBondContact O-CB 3.31Å; A862-T866 PolarHBondContact O-N 3.37Å; A862-T866 PolarHBondContact O-OG1 2.99Å
863E86.4Confident82.5Confident73 Ų7381.4 Ų81.434%0.34143%0.428SS..Hα-helixtrans-54.7-45173.3-75.4172.3179.700111.6L846 R850 I859 Q865 T866 S867L846-E863 HydrophobicContact CD1-CB 4.32Å; L846-E863 HydrophobicContact CD1-CG 3.7Å; R850-E863 IonicContact CZ-OE1 3.94Å; R850-E863 IonicContact NH2-OE1 2.86Å; R850-E863 PolarHBondContact NH2-OE1 2.89Å; I859-E863 HydrophobicContact CG2-CG 4.26Å; I859-E863 WeakPolarHBondContact CG2-OE1 3.14Å; I859-E863 WeakPolarHBondContact O-CB 3.45Å; I859-E863 WeakPolarHBondContact O-CG 3.49Å; I859-E863 PolarHBondContact O-N 3Å; E863-Q865 VanDerWaalsContact C-N 3.32Å; E863-Q865 PolarHBondContact O-N 3.29Å; E863-T866 PolarHBondContact O-N 2.91Å; E863-S867 WeakPolarHBondContact O-CB 3.28Å; E863-S867 PolarHBondContact O-N 3.45Å; E863-S867 PolarHBondContact O-OG 3.45Å
864H85.2Confident81.9Confident115 Ų11581 Ų8153%0.53242%0.415SS..Hα-helixtrans-63.7-36.9177.7-177.867.5000112.8K860 Q861 A862 S867 K868K860-H864 PolarHBondContact O-N 3.42Å; Q861-H864 PolarHBondContact O-N 3.45Å; A862-H864 VanDerWaalsContact C-N 3.31Å; A862-H864 PolarHBondContact O-N 3.44Å; H864-S867 PolarHBondContact O-OG 2.96Å; H864-K868 PolarHBondContact NE2-NZ 3.34Å
865Q83.5Confident81.2Confident101 Ų10178.2 Ų78.247%0.47240%0.401SS..Hα-helixtrans-72.4-48.6177.1-171.659.334.400110.9Q861 A862 E863 S867 K868Q861-Q865 PolarHBondContact O-N 2.97Å; Q861-Q865 VanDerWaalsContact O-N 3.14Å; A862-Q865 PolarHBondContact O-N 3.03Å; A862-Q865 VanDerWaalsContact O-N 3.09Å; E863-Q865 VanDerWaalsContact C-N 3.32Å; E863-Q865 PolarHBondContact O-N 3.29Å; Q865-S867 VanDerWaalsContact C-N 3.31Å; Q865-S867 PolarHBondContact O-N 3.46Å; Q865-K868 PolarHBondContact O-N 3.03Å
866T81.1Confident80.4Confident37 Ų3777.9 Ų77.923%0.22739%0.39CS..Hα-helixtrans-61.3-35.7-180-58.40000112.5L846 A862 E863 K868 D869 E870L846-T866 HydrophobicContact CD1-CG2 4.45Å; A862-T866 WeakPolarHBondContact O-CB 3.31Å; A862-T866 PolarHBondContact O-N 3.37Å; A862-T866 PolarHBondContact O-OG1 2.99Å; E863-T866 PolarHBondContact O-N 2.91Å; T866-K868 PolarHBondContact O-N 3.03Å; T866-K868 VanDerWaalsContact O-N 3.16Å; T866-D869 PolarHBondContact O-N 2.89Å; T866-D869 VanDerWaalsContact O-N 3.1Å; T866-E870 HydrophobicContact CG2-CG 3.88Å; T866-E870 PolarHBondContact O-N 2.96Å
867S77.4Confident79.6Confident51 Ų5175.4 Ų75.436%0.35738%0.378SS..Hα-helixtrans-59.3-29.7178.6630000113.5E863 H864 Q865 E871E863-S867 WeakPolarHBondContact O-CB 3.28Å; E863-S867 PolarHBondContact O-N 3.45Å; E863-S867 PolarHBondContact O-OG 3.45Å; H864-S867 PolarHBondContact O-OG 2.96Å; Q865-S867 VanDerWaalsContact C-N 3.31Å; Q865-S867 PolarHBondContact O-N 3.46Å; S867-E871 VanDerWaalsContact O-CG 3.32Å; S867-E871 WeakPolarHBondContact O-CG 3.42Å; S867-E871 PolarHBondContact O-N 3.38Å
868K75.9Confident78.8Confident98 Ų9872.1 Ų72.143%0.42637%0.365SS..Hα-helixtrans-72.8-40.5178-64.1177.2-174.7169.10111.2H864 Q865 T866 L872H864-K868 PolarHBondContact NE2-NZ 3.34Å; Q865-K868 PolarHBondContact O-N 3.03Å; T866-K868 PolarHBondContact O-N 3.03Å; T866-K868 VanDerWaalsContact O-N 3.16Å; K868-L872 PolarHBondContact O-N 2.92Å
869D74Confident77.8Confident78 Ų7869.1 Ų69.142%0.41735%0.346SS..Hα-helixtrans-74.7-41.6-178.2-60.6-25.3000111T866 E871 L872 E873T866-D869 PolarHBondContact O-N 2.89Å; T866-D869 VanDerWaalsContact O-N 3.1Å; D869-E871 VanDerWaalsContact C-N 3.3Å; D869-E871 PolarHBondContact O-N 3.26Å; D869-L872 WeakPolarHBondContact O-CB 3.47Å; D869-L872 PolarHBondContact O-N 2.91Å; D869-L872 VanDerWaalsContact O-N 3.14Å; D869-E873 PolarHBondContact O-N 3.28Å
870E73Confident76.9Confident75 Ų7569 Ų6935%0.3535%0.346SS..Hα-helixtrans-61.3-36.8175.5-75.6-173.5166.500112.2T866 S874T866-E870 HydrophobicContact CG2-CG 3.88Å; T866-E870 PolarHBondContact O-N 2.96Å; E870-S874 VanDerWaalsContact O-CB 3.26Å; E870-S874 WeakPolarHBondContact O-CB 3.45Å; E870-S874 PolarHBondContact O-N 3.11Å; E870-S874 PolarHBondContact O-OG 2.9Å
871E71.3Confident76Confident73 Ų7367 Ų6734%0.34134%0.337SS..Hα-helixtrans-63.3-44.7174.3-78.5-173.7165.800111.4S867 D869 S874 V875 K962S867-E871 VanDerWaalsContact O-CG 3.32Å; S867-E871 WeakPolarHBondContact O-CG 3.42Å; S867-E871 PolarHBondContact O-N 3.38Å; D869-E871 VanDerWaalsContact C-N 3.3Å; D869-E871 PolarHBondContact O-N 3.26Å; E871-S874 PolarHBondContact O-N 3.14Å; E871-S874 PolarHBondContact O-OG 3.05Å; E871-V875 VanDerWaalsContact O-CG2 3.31Å; E871-V875 WeakPolarHBondContact O-CG2 3.39Å; E871-V875 PolarHBondContact O-N 3.37Å; E871-V875 VanDerWaalsContact O-N 3.09Å; E871-K962 IonicContact OE1-NZ 3.17Å; E871-K962 PolarHBondContact OE1-NZ 3.29Å
872L71.9Confident74.9Confident124 Ų12463.4 Ų63.465%0.64932%0.321SS*.Hα-helixtrans-61.6-48.2175.9-102.4148.5000112.3K868 D869 S874 V875 W876K868-L872 PolarHBondContact O-N 2.92Å; D869-L872 WeakPolarHBondContact O-CB 3.47Å; D869-L872 PolarHBondContact O-N 2.91Å; D869-L872 VanDerWaalsContact O-N 3.14Å; L872-S874 VanDerWaalsContact C-N 3.34Å; L872-S874 PolarHBondContact O-N 3.36Å; L872-V875 PolarHBondContact O-N 3.4Å; L872-W876 PolarHBondContact O-N 3.25Å
873E71.3Confident73.7Confident53 Ų5365.8 Ų65.825%0.24833%0.326CS..Hα-helixtrans-60.1-43.4176.5-75.4-178.8-163.300111.8E792 D869 V875 W876 L877E792-E873 HydrophobicContact CG-CG 4.4Å; D869-E873 PolarHBondContact O-N 3.28Å; E873-V875 VanDerWaalsContact C-N 3.28Å; E873-V875 PolarHBondContact O-N 3.04Å; E873-W876 PolarHBondContact O-N 3.18Å; E873-L877 WeakPolarHBondContact O-CG 3.14Å; E873-L877 PolarHBondContact O-N 3.4Å
874S71.4Confident72.3Confident52 Ų5263.5 Ų63.536%0.36432%0.316SS..Hα-helixtrans-61.9-38.517977.50000111.9E870 E871 L872 N878E870-S874 VanDerWaalsContact O-CB 3.26Å; E870-S874 WeakPolarHBondContact O-CB 3.45Å; E870-S874 PolarHBondContact O-N 3.11Å; E870-S874 PolarHBondContact O-OG 2.9Å; E871-S874 PolarHBondContact O-N 3.14Å; E871-S874 PolarHBondContact O-OG 3.05Å; L872-S874 VanDerWaalsContact C-N 3.34Å; L872-S874 PolarHBondContact O-N 3.36Å; S874-N878 VanDerWaalsContact O-CB 3.29Å; S874-N878 WeakPolarHBondContact O-CB 3.44Å; S874-N878 PolarHBondContact O-N 3.46Å; S874-N878 PolarHBondContact O-ND2 3.29Å
875V71.4Confident71Confident20 Ų2066.3 Ų66.312%0.12132%0.322CS..Hα-helixtrans-68.4-44.5177.3170.10000110.2E871 L872 E873 N878 L879 L959E871-V875 VanDerWaalsContact O-CG2 3.31Å; E871-V875 WeakPolarHBondContact O-CG2 3.39Å; E871-V875 PolarHBondContact O-N 3.37Å; E871-V875 VanDerWaalsContact O-N 3.09Å; L872-V875 PolarHBondContact O-N 3.4Å; E873-V875 VanDerWaalsContact C-N 3.28Å; E873-V875 PolarHBondContact O-N 3.04Å; V875-N878 PolarHBondContact O-N 3.46Å; V875-L879 HydrophobicContact CG1-CD1 3.68Å; V875-L879 HydrophobicContact CG1-CG 4.31Å; V875-L879 WeakPolarHBondContact O-CB 3.04Å; V875-L879 WeakPolarHBondContact O-CD1 3.32Å; V875-L879 WeakPolarHBondContact O-CG 2.98Å; V875-L879 PolarHBondContact O-N 3Å; V875-L959 HydrophobicContact CG1-CD1 4.29Å; V875-L959 HydrophobicContact CG2-CD1 3.76Å; V875-L959 HydrophobicContact CG2-CD2 4.35Å; V875-L959 HydrophobicContact CG2-CG 4.21Å
876W71.8Confident69.4Low67 Ų6767.1 Ų67.125%0.25432%0.324SS..Hα-helixtrans-57.1-54.7174.5-176-3.9000111.5F765 E792 L872 E873 N878 L879 D880 S897 A899F765-W876 AromaticContact CE1-CH2 3.91Å; F765-W876 HydrophobicContact CE1-CH2 3.91Å; F765-W876 AromaticContact CZ-CH2 3.95Å; F765-W876 HydrophobicContact CZ-CH2 3.95Å; F765-W876 HydrophobicContact CZ-CZ2 4.45Å; E792-W876 HydrophobicContact CB-CE3 4.25Å; E792-W876 HydrophobicContact CB-CH2 4.01Å; E792-W876 HydrophobicContact CB-CZ3 3.86Å; E792-W876 HydrophobicContact CG-CE3 3.94Å; E792-W876 HydrophobicContact CG-CH2 4.35Å; E792-W876 HydrophobicContact CG-CZ3 3.7Å; L872-W876 PolarHBondContact O-N 3.25Å; E873-W876 PolarHBondContact O-N 3.18Å; W876-N878 VanDerWaalsContact C-N 3.28Å; W876-N878 PolarHBondContact O-N 3.21Å; W876-L879 PolarHBondContact O-N 2.83Å; W876-L879 VanDerWaalsContact O-N 3.16Å; W876-D880 PolarHBondContact NE1-OD2 3.39Å; W876-D880 PolarHBondContact O-N 2.86Å; W876-S897 PolarHBondContact NE1-OG 3.05Å; W876-A899 HydrophobicContact CG-CB 4.19Å
877L71.6Confident68.1Low34 Ų3470.9 Ų70.918%0.17834%0.335CS..Hα-helixtrans-59.2-38.8-178.8-72.4168.3000112.4S795 E873 K881S795-L877 WeakPolarHBondContact OG-CD2 3.43Å; E873-L877 WeakPolarHBondContact O-CG 3.14Å; E873-L877 PolarHBondContact O-N 3.4Å; L877-K881 WeakPolarHBondContact O-CB 3.38Å; L877-K881 PolarHBondContact O-N 3.07Å; L877-K881 VanDerWaalsContact O-N 3.07Å
878N72.6Confident66.9Low75 Ų7575.3 Ų75.340%0.40135%0.35SS..Hα-helixtrans-67.5-42.7177.6-74.8-30.5000112.1S874 V875 W876 K881 E882S874-N878 VanDerWaalsContact O-CB 3.29Å; S874-N878 WeakPolarHBondContact O-CB 3.44Å; S874-N878 PolarHBondContact O-N 3.46Å; S874-N878 PolarHBondContact O-ND2 3.29Å; V875-N878 PolarHBondContact O-N 3.46Å; W876-N878 VanDerWaalsContact C-N 3.28Å; W876-N878 PolarHBondContact O-N 3.21Å; N878-K881 PolarHBondContact O-N 3.47Å; N878-E882 WeakPolarHBondContact O-CG 3.32Å; N878-E882 PolarHBondContact O-N 2.89Å
879L69.3Low65.6Low11 Ų1178.5 Ų78.56%0.05837%0.371CS..Hα-helixtrans-62.6-45.7178.4-71.4166.2000112V875 W876 E882 H883 A899 M902 P952V875-L879 HydrophobicContact CG1-CD1 3.68Å; V875-L879 HydrophobicContact CG1-CG 4.31Å; V875-L879 WeakPolarHBondContact O-CB 3.04Å; V875-L879 WeakPolarHBondContact O-CD1 3.32Å; V875-L879 WeakPolarHBondContact O-CG 2.98Å; V875-L879 PolarHBondContact O-N 3Å; W876-L879 PolarHBondContact O-N 2.83Å; W876-L879 VanDerWaalsContact O-N 3.16Å; L879-E882 PolarHBondContact O-N 3.24Å; L879-H883 PolarHBondContact O-N 2.98Å; L879-A899 HydrophobicContact CB-CB 3.97Å; L879-A899 HydrophobicContact CD1-CB 3.85Å; L879-M902 HydrophobicContact CD1-CE 3.4Å; L879-M902 HydrophobicContact CD2-CE 3.56Å; L879-M902 HydrophobicContact CD2-SD 4.48Å; L879-M902 HydrophobicContact CG-CE 4.13Å; L879-P952 HydrophobicContact CD2-CB 3.44Å; L879-P952 VanDerWaalsContact CD2-CB 3.44Å; L879-P952 HydrophobicContact CD2-CG 3.63Å
880D70Confident64.5Low1 Ų181.9 Ų81.91%0.00539%0.385CS..Hα-helixtrans-65.3-41.3178.7-80.36.1000111.1S795 Y798 Y799 W876 E882 S897 P898S795-D880 WeakPolarHBondContact CB-OD2 3.38Å; S795-D880 PolarHBondContact OG-OD2 3.39Å; Y798-D880 HydrophobicContact CD2-CB 4.38Å; Y799-D880 PolarHBondContact OH-OD1 3.25Å; Y799-D880 VanDerWaalsContact OH-OD1 3.13Å; Y799-D880 PolarHBondContact OH-OD2 3.32Å; W876-D880 PolarHBondContact NE1-OD2 3.39Å; W876-D880 PolarHBondContact O-N 2.86Å; D880-E882 PolarHBondContact O-N 2.96Å; D880-S897 PolarHBondContact OD1-OG 2.85Å; D880-P898 WeakPolarHBondContact OD1-CD 3.49Å
881K69.9Low63.3Low88 Ų8882 Ų8238%0.38339%0.387SS..Hα-helixtrans-64.3-37.9178.7-176.3179.8-179.4-177.90113.3Y798 L877 N878Y798-K881 HydrophobicContact CE1-CB 4.18Å; Y798-K881 HydrophobicContact CE1-CG 3.97Å; Y798-K881 HydrophobicContact CE2-CB 4.2Å; L877-K881 WeakPolarHBondContact O-CB 3.38Å; L877-K881 PolarHBondContact O-N 3.07Å; L877-K881 VanDerWaalsContact O-N 3.07Å; N878-K881 PolarHBondContact O-N 3.47Å
882E66Low62.1Low75 Ų7585.2 Ų85.235%0.3541%0.407SS..Hα-helixtrans-80.9-32.5-176.6-74.7-166.7153.400113.8N878 L879 D880 V951N878-E882 WeakPolarHBondContact O-CG 3.32Å; N878-E882 PolarHBondContact O-N 2.89Å; L879-E882 PolarHBondContact O-N 3.24Å; D880-E882 PolarHBondContact O-N 2.96Å; E882-V951 WeakPolarHBondContact OE2-CG1 3.49Å
883H62Low61.1Low81 Ų8188.2 Ų88.238%0.37542%0.415SS..Hα-helixtrans-65.4-41.4-177.9-168-86.4000112.2L879 R885 K886 Y887 P898L879-H883 PolarHBondContact O-N 2.98Å; H883-R885 VanDerWaalsContact C-N 3.31Å; H883-R885 PolarHBondContact O-N 3.4Å; H883-K886 WeakPolarHBondContact O-CB 3.25Å; H883-K886 PolarHBondContact O-N 2.76Å; H883-K886 VanDerWaalsContact O-N 3.08Å; H883-Y887 AromaticContact CE1-CD2 3.51Å; H883-Y887 AromaticContact CE1-CE2 3.46Å; H883-Y887 VanDerWaalsContact CE1-CE2 3.46Å; H883-Y887 WeakPolarHBondContact CE1-CE2 3.19Å; H883-Y887 AromaticContact ND1-CD2 3.74Å; H883-Y887 AromaticContact NE2-CE2 3.7Å; H883-Y887 WeakPolarHBondContact O-CD2 3.48Å; H883-P898 HydrophobicContact CB-CB 3.63Å; H883-P898 HydrophobicContact CB-CG 3.43Å; H883-P898 VanDerWaalsContact CB-CG 3.43Å
884I58.5Low60.2Low25 Ų2592.7 Ų92.713%0.12843%0.434CS..Hα-helixtrans-72.2-26.9-174.8-60.8-169.2000112.3Y798 K886 Y887 E888 L891Y798-I884 WeakPolarHBondContact O-CD1 3.25Å; I884-K886 PolarHBondContact O-N 3.48Å; I884-Y887 PolarHBondContact O-N 3.27Å; I884-E888 WeakPolarHBondContact O-CG 3.49Å; I884-E888 PolarHBondContact O-N 2.65Å; I884-L891 HydrophobicContact CG2-CD1 4.34Å
885R56.7Low59.5Low173 Ų17397.1 Ų97.165%0.65345%0.449SS*.THydrogen-bonded Turntrans-57.2-20.4170.4-74.6-178.8171.7179.6-4.4113.4H883H883-R885 VanDerWaalsContact C-N 3.31Å; H883-R885 PolarHBondContact O-N 3.4Å
886K51.1Low58.8Low118 Ų118102 Ų10251%0.51347%0.474SS..THydrogen-bonded Turntrans-92.4-17.3177.9-73.6-175175.5-1770114.2H883 I884H883-K886 WeakPolarHBondContact O-CB 3.25Å; H883-K886 PolarHBondContact O-N 2.76Å; H883-K886 VanDerWaalsContact O-N 3.08Å; I884-K886 PolarHBondContact O-N 3.48Å
887Y53.5Low58.5Low117 Ų11799.7 Ų99.746%0.45947%0.468SS..  trans-128.528.1-169.8-66.8-81.8000113.2H883 I884 D889 E890H883-Y887 AromaticContact CE1-CD2 3.51Å; H883-Y887 AromaticContact CE1-CE2 3.46Å; H883-Y887 VanDerWaalsContact CE1-CE2 3.46Å; H883-Y887 WeakPolarHBondContact CE1-CE2 3.19Å; H883-Y887 AromaticContact ND1-CD2 3.74Å; H883-Y887 AromaticContact NE2-CE2 3.7Å; H883-Y887 WeakPolarHBondContact O-CD2 3.48Å; I884-Y887 PolarHBondContact O-N 3.27Å; Y887-D889 PolarHBondContact O-N 3.43Å; Y887-E890 PolarHBondContact O-N 2.98Å
888E51.2Low58.1Low143 Ų14399 Ų9967%0.66847%0.466SS*.THydrogen-bonded Turntrans-55.4-18.2-177.4-72.8-173.3157.800114.4I884I884-E888 WeakPolarHBondContact O-CG 3.49Å; I884-E888 PolarHBondContact O-N 2.65Å
889D48.5Very low57.7Low165 Ų16596 Ų9688%0.88245%0.452SS*.THydrogen-bonded Turntrans-100.3-6.9-174.8-68.7-31.4000115.7Y887Y887-D889 PolarHBondContact O-N 3.43Å
890E50.5Low57.7Low149 Ų14998.4 Ų98.470%0.69647%0.466SS*.  trans-12124.9-173-72.1-172.7162.400114.8Y887 D892Y887-E890 PolarHBondContact O-N 2.98Å; E890-D892 VanDerWaalsContact C-N 3.27Å; E890-D892 PolarHBondContact O-N 3.03Å
891L49.7Very low57.6Low78 Ų78101.3 Ų101.341%0.40849%0.487SS..  trans-82.560.5-173-72.9149.4000113.8P801 I884P801-L891 HydrophobicContact CG-CD1 4.01Å; I884-L891 HydrophobicContact CG2-CD1 4.34Å
892D44.9Very low57.5Low141 Ų14197.9 Ų97.975%0.75447%0.472SS*.  trans-114.1115.9157.5-84.8-27.8000107.2E890E890-D892 VanDerWaalsContact C-N 3.27Å; E890-D892 PolarHBondContact O-N 3.03Å
893F50.9Low57.7Low186 Ų18696.7 Ų96.782%0.81648%0.475SS*.SBendtrans102.5134.2179.4-72.4-96.1000117.7H895F893-H895 PolarHBondContact O-N 3.16Å
894F53.1Low58.2Low147 Ų14797.8 Ų97.865%0.64548%0.484SS*.  trans-56.698.8168.6-78.9-96000109.7M800M800-F894 HydrophobicContact CE-CE1 4.01Å; M800-F894 HydrophobicContact CE-CE2 4.29Å; M800-F894 HydrophobicContact CE-CZ 3.46Å; M800-F894 VanDerWaalsContact CE-CZ 3.46Å
895H55.3Low59Low146 Ų146100.5 Ų100.568%0.67650%0.496SS*.PPolyproline II helixtrans-85.1140.3161-73.1-60.2000109.1F893F893-H895 PolarHBondContact O-N 3.16Å
896D58.3Low59.9Low123 Ų12392.8 Ų92.866%0.65847%0.467SS*.PPolyproline II helixtrans-46.5145.8171.2-71.2-32.9000110.2
897S63.8Low61.1Low17 Ų1790.5 Ų90.512%0.11947%0.466CS..PPolyproline II helixtrans-49.9129.7178.3158.90000110Y799 W876 D880 A899 V900 S901Y799-S897 WeakPolarHBondContact OH-CA 3.47Å; Y799-S897 WeakPolarHBondContact OH-CB 3.37Å; Y799-S897 PolarHBondContact OH-OG 3.5Å; W876-S897 PolarHBondContact NE1-OG 3.05Å; D880-S897 PolarHBondContact OD1-OG 2.85Å; S897-A899 PolarHBondContact O-N 3.04Å; S897-A899 VanDerWaalsContact O-N 3.15Å; S897-A899 WeakPolarHBondContact OG-CB 3.4Å; S897-A899 PolarHBondContact OG-N 2.98Å; S897-V900 CarbonylContact O-C 3.49Å; S897-V900 WeakPolarHBondContact O-CA 3.47Å; S897-V900 WeakPolarHBondContact O-CB 3.42Å; S897-V900 PolarHBondContact O-N 3.13Å; S897-V900 PolarHBondContact OG-N 2.82Å; S897-S901 PolarHBondContact O-N 3.18Å
898P63.4Low62.4Low21 Ų2188.8 Ų88.814%0.13647%0.469CS..Hα-helixtrans-52.8-36.6176.3-28.834.8000112.3Y799 D880 H883 M902Y799-P898 VanDerWaalsContact OH-CD 3.32Å; Y799-P898 WeakPolarHBondContact OH-CD 3.22Å; D880-P898 WeakPolarHBondContact OD1-CD 3.49Å; H883-P898 HydrophobicContact CB-CB 3.63Å; H883-P898 HydrophobicContact CB-CG 3.43Å; H883-P898 VanDerWaalsContact CB-CG 3.43Å; P898-M902 WeakPolarHBondContact O-CB 3.36Å; P898-M902 PolarHBondContact O-N 3.46Å
899A66.1Low63.8Low12 Ų1286.7 Ų86.710%0.09946%0.455CS..Hα-helixtrans-62-44.1172.700000111.9W876 L879 S897 A903W876-A899 HydrophobicContact CG-CB 4.19Å; L879-A899 HydrophobicContact CB-CB 3.97Å; L879-A899 HydrophobicContact CD1-CB 3.85Å; S897-A899 PolarHBondContact O-N 3.04Å; S897-A899 VanDerWaalsContact O-N 3.15Å; S897-A899 WeakPolarHBondContact OG-CB 3.4Å; S897-A899 PolarHBondContact OG-N 2.98Å; A899-A903 VanDerWaalsContact O-CB 3.24Å; A899-A903 WeakPolarHBondContact O-CB 3.24Å; A899-A903 PolarHBondContact O-N 2.74Å
900V68.2Low65.2Low60 Ų6081.5 Ų81.536%0.36443%0.427SS..Hα-helixtrans-69.2-46.3177.8175.40000112S897 M902 A903 N904S897-V900 CarbonylContact O-C 3.49Å; S897-V900 WeakPolarHBondContact O-CA 3.47Å; S897-V900 WeakPolarHBondContact O-CB 3.42Å; S897-V900 PolarHBondContact O-N 3.13Å; S897-V900 PolarHBondContact OG-N 2.82Å; V900-M902 VanDerWaalsContact C-N 3.28Å; V900-M902 PolarHBondContact O-N 2.74Å; V900-A903 PolarHBondContact O-N 3.28Å; V900-N904 WeakPolarHBondContact O-CB 3.36Å; V900-N904 VanDerWaalsContact O-CG 3.28Å; V900-N904 PolarHBondContact O-N 2.64Å; V900-N904 PolarHBondContact O-ND2 3.49Å
901S68.4Low66.7Low63 Ų6377.3 Ų77.344%0.44141%0.411SS..Hα-helixtrans-58-44.5176-1760000110.5S897 N904 E905S897-S901 PolarHBondContact O-N 3.18Å; S901-N904 PolarHBondContact O-N 3.48Å; S901-E905 PolarHBondContact O-N 2.83Å
902M68.4Low68.3Low16 Ų1680.1 Ų80.18%0.07942%0.422CS..Hα-helixtrans-66.6-43.2175.1-175.5179.561.200112.6L879 P898 V900 N904 E905 L906 P952 L956L879-M902 HydrophobicContact CD1-CE 3.4Å; L879-M902 HydrophobicContact CD2-CE 3.56Å; L879-M902 HydrophobicContact CD2-SD 4.48Å; L879-M902 HydrophobicContact CG-CE 4.13Å; P898-M902 WeakPolarHBondContact O-CB 3.36Å; P898-M902 PolarHBondContact O-N 3.46Å; V900-M902 VanDerWaalsContact C-N 3.28Å; V900-M902 PolarHBondContact O-N 2.74Å; M902-N904 VanDerWaalsContact C-N 3.3Å; M902-N904 PolarHBondContact O-N 3.05Å; M902-E905 PolarHBondContact O-N 3.43Å; M902-L906 HydrophobicContact CE-CD1 4.37Å; M902-L906 HydrophobicContact CG-CD1 3.55Å; M902-L906 HydrophobicContact CG-CG 3.97Å; M902-L906 WeakPolarHBondContact O-CB 3.35Å; M902-L906 WeakPolarHBondContact O-CG 3.5Å; M902-L906 PolarHBondContact O-N 2.92Å; M902-L906 HydrophobicContact SD-CD1 3.81Å; M902-P952 HydrophobicContact CE-CB 3.64Å; M902-P952 HydrophobicContact CE-CG 4.44Å; M902-P952 HydrophobicContact SD-CB 3.01Å; M902-P952 WeakPolarHBondContact SD-CB 3.37Å; M902-P952 HydrophobicContact SD-CG 3.74Å; M902-L956 HydrophobicContact CE-CD1 3.65Å; M902-L956 HydrophobicContact CE-CG 4.26Å; M902-L956 HydrophobicContact SD-CD1 3.72Å
903A70.3Confident70.1Confident49 Ų4974.5 Ų74.541%0.40539%0.392SS..Hα-helixtrans-60.5-42.7176.900000110.7A899 V900 E905 L906 C907A899-A903 VanDerWaalsContact O-CB 3.24Å; A899-A903 WeakPolarHBondContact O-CB 3.24Å; A899-A903 PolarHBondContact O-N 2.74Å; V900-A903 PolarHBondContact O-N 3.28Å; A903-E905 VanDerWaalsContact C-N 3.31Å; A903-E905 PolarHBondContact O-N 2.84Å; A903-L906 PolarHBondContact O-N 2.92Å; A903-C907 WeakPolarHBondContact O-CB 3.39Å; A903-C907 PolarHBondContact O-N 2.8Å
904N72.3Confident71.4Confident104 Ų10469.4 Ų69.456%0.55637%0.373SS*.Hα-helixtrans-65.3-32175.6-74-22.5000112.6V900 S901 M902 P908V900-N904 WeakPolarHBondContact O-CB 3.36Å; V900-N904 VanDerWaalsContact O-CG 3.28Å; V900-N904 PolarHBondContact O-N 2.64Å; V900-N904 PolarHBondContact O-ND2 3.49Å; S901-N904 PolarHBondContact O-N 3.48Å; M902-N904 VanDerWaalsContact C-N 3.3Å; M902-N904 PolarHBondContact O-N 3.05Å; N904-P908 WeakPolarHBondContact O-CD 3.37Å; N904-P908 VanDerWaalsContact O-CG 3.31Å; N904-P908 WeakPolarHBondContact O-CG 3.48Å
905E74.5Confident72.9Confident83 Ų8370.4 Ų70.439%0.38837%0.372SS..Hα-helixtrans-77.4-38.5174.6-159-159.5140.700112.5S901 M902 A903 R909 R947S901-E905 PolarHBondContact O-N 2.83Å; M902-E905 PolarHBondContact O-N 3.43Å; A903-E905 VanDerWaalsContact C-N 3.31Å; A903-E905 PolarHBondContact O-N 2.84Å; E905-R909 IonicContact OE1-CZ 3.11Å; E905-R909 IonicContact OE1-NH1 3.96Å; E905-R909 PolarHBondContact OE1-NH1 3.49Å; E905-R909 IonicContact OE1-NH2 2.91Å; E905-R909 PolarHBondContact OE1-NH2 3.24Å; E905-R947 IonicContact OE1-CZ 3.64Å; E905-R947 IonicContact OE1-NE 2.91Å; E905-R947 IonicContact OE1-NH2 3.6Å; E905-R947 PolarHBondContact OE1-NH2 3.02Å; E905-R947 IonicContact OE2-CZ 2.97Å; E905-R947 IonicContact OE2-NH2 2.77Å; E905-R947 PolarHBondContact OE2-NH2 3.08Å
906L74.9Confident74.2Confident10 Ų1068 Ų685%0.05236%0.361CS..Hα-helixtrans-81.7-40.2-175.6-73.7176.8000112.7M902 A903 R909 L910 L943 L944 L956M902-L906 HydrophobicContact CE-CD1 4.37Å; M902-L906 HydrophobicContact CG-CD1 3.55Å; M902-L906 HydrophobicContact CG-CG 3.97Å; M902-L906 WeakPolarHBondContact O-CB 3.35Å; M902-L906 WeakPolarHBondContact O-CG 3.5Å; M902-L906 PolarHBondContact O-N 2.92Å; M902-L906 HydrophobicContact SD-CD1 3.81Å; A903-L906 PolarHBondContact O-N 2.92Å; L906-R909 PolarHBondContact O-N 3.44Å; L906-R909 VanDerWaalsContact O-N 3.08Å; L906-L910 HydrophobicContact CB-CD1 4.31Å; L906-L910 WeakPolarHBondContact O-CG 3.44Å; L906-L910 PolarHBondContact O-N 3.38Å; L906-L943 HydrophobicContact CD2-CD2 3.57Å; L906-L944 HydrophobicContact CD1-CD2 4.26Å; L906-L944 HydrophobicContact CD2-CD2 4.03Å; L906-L956 HydrophobicContact CD1-CD1 3.27Å
907C77.2Confident75.3Confident71 Ų7162.2 Ų62.248%0.4833%0.33SS..Hα-helixtrans-56.5-48.2-173.2-172.10000112.6A903 R909 L910 V911A903-C907 WeakPolarHBondContact O-CB 3.39Å; A903-C907 PolarHBondContact O-N 2.8Å; C907-R909 VanDerWaalsContact C-N 3.28Å; C907-R909 PolarHBondContact O-N 2.9Å; C907-L910 PolarHBondContact O-N 2.91Å; C907-V911 WeakPolarHBondContact O-CB 3.33Å; C907-V911 VanDerWaalsContact O-CG2 3.27Å; C907-V911 WeakPolarHBondContact O-CG2 3.4Å; C907-V911 PolarHBondContact O-N 2.91Å
908P80.8Confident76Confident80 Ų8065.8 Ų65.852%0.51935%0.347SS..Hα-helixtrans-59-39.9176.8-22.132.9000112.5N904 V911 E912N904-P908 WeakPolarHBondContact O-CD 3.37Å; N904-P908 VanDerWaalsContact O-CG 3.31Å; N904-P908 WeakPolarHBondContact O-CG 3.48Å; P908-V911 PolarHBondContact O-N 3.37Å; P908-E912 WeakPolarHBondContact O-CB 3.46Å; P908-E912 PolarHBondContact O-N 3.06Å
909R80.4Confident76.9Confident99 Ų9970.1 Ų70.137%0.37437%0.365SS..Hα-helixtrans-72.6-35.9-179.4-57.4-176.2179.7169.710.3112.4E905 L906 C907 E912 I913 L943E905-R909 IonicContact OE1-CZ 3.11Å; E905-R909 IonicContact OE1-NH1 3.96Å; E905-R909 PolarHBondContact OE1-NH1 3.49Å; E905-R909 IonicContact OE1-NH2 2.91Å; E905-R909 PolarHBondContact OE1-NH2 3.24Å; L906-R909 PolarHBondContact O-N 3.44Å; L906-R909 VanDerWaalsContact O-N 3.08Å; C907-R909 VanDerWaalsContact C-N 3.28Å; C907-R909 PolarHBondContact O-N 2.9Å; R909-E912 PolarHBondContact O-N 3.29Å; R909-I913 WeakPolarHBondContact O-CG1 3.44Å; R909-I913 PolarHBondContact O-N 3.49Å; R909-L943 HydrophobicContact CB-CD1 3.55Å; R909-L943 HydrophobicContact CG-CD1 4.38Å
910L78.8Confident77.5Confident57 Ų5772.6 Ų72.630%0.29838%0.375SS..Hα-helixtrans-66.4-40.5173.1-70.2172.8000111.2L906 C907 E912 I913 L914 T940L906-L910 HydrophobicContact CB-CD1 4.31Å; L906-L910 WeakPolarHBondContact O-CG 3.44Å; L906-L910 PolarHBondContact O-N 3.38Å; C907-L910 PolarHBondContact O-N 2.91Å; L910-E912 VanDerWaalsContact C-N 3.31Å; L910-E912 PolarHBondContact O-N 3.13Å; L910-I913 PolarHBondContact O-N 3.19Å; L910-L914 WeakPolarHBondContact O-CB 3.34Å; L910-L914 WeakPolarHBondContact O-CG 3.37Å; L910-L914 PolarHBondContact O-N 3.39Å; L910-T940 HydrophobicContact CD2-CG2 3.4Å; L910-T940 VanDerWaalsContact CD2-CG2 3.4Å
911V82.2Confident77.8Confident60 Ų6070.9 Ų70.936%0.36437%0.367SS..Hα-helixtrans-63-39.4174171.10000110.9C907 P908 L914 R915C907-V911 WeakPolarHBondContact O-CB 3.33Å; C907-V911 VanDerWaalsContact O-CG2 3.27Å; C907-V911 WeakPolarHBondContact O-CG2 3.4Å; C907-V911 PolarHBondContact O-N 2.91Å; P908-V911 PolarHBondContact O-N 3.37Å; V911-L914 PolarHBondContact O-N 3.29Å; V911-R915 WeakPolarHBondContact O-CB 3.31Å; V911-R915 WeakPolarHBondContact O-CG 3.18Å; V911-R915 PolarHBondContact O-N 3.45Å
912E83Confident78.2Confident138 Ų13875.3 Ų75.365%0.64538%0.381SS*.Hα-helixtrans-64.6-44.2175.2-168.2175.8-166.900111.9P908 R909 L910 L914 R915 H916P908-E912 WeakPolarHBondContact O-CB 3.46Å; P908-E912 PolarHBondContact O-N 3.06Å; R909-E912 PolarHBondContact O-N 3.29Å; L910-E912 VanDerWaalsContact C-N 3.31Å; L910-E912 PolarHBondContact O-N 3.13Å; E912-L914 VanDerWaalsContact C-N 3.34Å; E912-L914 PolarHBondContact O-N 2.94Å; E912-R915 PolarHBondContact O-N 3.39Å; E912-H916 WeakPolarHBondContact O-CB 3.42Å; E912-H916 PolarHBondContact O-N 3.2Å
913I81.5Confident78.6Confident23 Ų2382 Ų8212%0.11842%0.416CS..Hα-helixtrans-58.5-46.7172.8-71.5168.6000110.7R909 L910 H916 V917 L939 L943R909-I913 WeakPolarHBondContact O-CG1 3.44Å; R909-I913 PolarHBondContact O-N 3.49Å; L910-I913 PolarHBondContact O-N 3.19Å; I913-H916 PolarHBondContact O-N 3.46Å; I913-V917 HydrophobicContact CG2-CG2 4.43Å; I913-V917 VanDerWaalsContact O-CG2 3.31Å; I913-V917 WeakPolarHBondContact O-CG2 3.14Å; I913-V917 PolarHBondContact O-N 3.08Å; I913-L939 HydrophobicContact CD1-CB 4.35Å; I913-L939 HydrophobicContact CG1-CB 4.47Å; I913-L939 HydrophobicContact CG2-CB 3.65Å; I913-L939 HydrophobicContact CG2-CD1 3.96Å; I913-L939 HydrophobicContact CG2-CG 4.48Å; I913-L943 HydrophobicContact CD1-CB 4.04Å; I913-L943 HydrophobicContact CD1-CD1 3.6Å; I913-L943 HydrophobicContact CD1-CG 4.42Å
914L79.4Confident78.6Confident79 Ų7983.3 Ų83.341%0.41442%0.416SS..Hα-helixtrans-63.3-44179.8-76.5168000111.8L910 V911 E912 H916 V917 I918 V936L910-L914 WeakPolarHBondContact O-CB 3.34Å; L910-L914 WeakPolarHBondContact O-CG 3.37Å; L910-L914 PolarHBondContact O-N 3.39Å; V911-L914 PolarHBondContact O-N 3.29Å; E912-L914 VanDerWaalsContact C-N 3.34Å; E912-L914 PolarHBondContact O-N 2.94Å; L914-H916 VanDerWaalsContact C-N 3.34Å; L914-H916 PolarHBondContact O-N 3.46Å; L914-V917 PolarHBondContact O-N 2.88Å; L914-I918 WeakPolarHBondContact O-CB 2.95Å; L914-I918 WeakPolarHBondContact O-CD1 3.36Å; L914-I918 WeakPolarHBondContact O-CG1 3.24Å; L914-I918 PolarHBondContact O-N 3.14Å; L914-V936 HydrophobicContact CD2-CG1 3.89Å; L914-V936 HydrophobicContact CD2-CG2 3.94Å
915R83.1Confident78.2Confident168 Ų16887.8 Ų87.863%0.63443%0.434SS*.Hα-helixtrans-59.6-46.3174.7-77.3-177.9-174.6-172.22111.4V911 E912 V917 I918 E919V911-R915 WeakPolarHBondContact O-CB 3.31Å; V911-R915 WeakPolarHBondContact O-CG 3.18Å; V911-R915 PolarHBondContact O-N 3.45Å; E912-R915 PolarHBondContact O-N 3.39Å; R915-V917 VanDerWaalsContact C-N 3.34Å; R915-V917 PolarHBondContact O-N 3.08Å; R915-I918 PolarHBondContact O-N 3.39Å; R915-E919 WeakPolarHBondContact O-CB 3.47Å; R915-E919 WeakPolarHBondContact O-CG 3.48Å; R915-E919 PolarHBondContact O-N 2.93Å
916H83Confident77.9Confident94 Ų9490.6 Ų90.644%0.43545%0.452SS..Hα-helixtrans-61.7-42.7179.6-170.550.8000112.1E912 I913 L914 E919 E920E912-H916 WeakPolarHBondContact O-CB 3.42Å; E912-H916 PolarHBondContact O-N 3.2Å; I913-H916 PolarHBondContact O-N 3.46Å; L914-H916 VanDerWaalsContact C-N 3.34Å; L914-H916 PolarHBondContact O-N 3.46Å; H916-E919 PolarHBondContact O-N 3.37Å; H916-E920 IonicContact NE2-OE1 3.63Å; H916-E920 WeakPolarHBondContact O-CG 3.18Å; H916-E920 PolarHBondContact O-N 3Å
917V80.9Confident77.5Confident2 Ų292.7 Ų92.71%0.01246%0.463CS..Hα-helixtrans-69.8-34177.4178.50000111.9I913 L914 R915 E920 A921 I932 R935 V936 L939I913-V917 HydrophobicContact CG2-CG2 4.43Å; I913-V917 VanDerWaalsContact O-CG2 3.31Å; I913-V917 WeakPolarHBondContact O-CG2 3.14Å; I913-V917 PolarHBondContact O-N 3.08Å; L914-V917 PolarHBondContact O-N 2.88Å; R915-V917 VanDerWaalsContact C-N 3.34Å; R915-V917 PolarHBondContact O-N 3.08Å; V917-E920 PolarHBondContact O-N 2.97Å; V917-A921 VanDerWaalsContact O-CB 3.31Å; V917-A921 WeakPolarHBondContact O-CB 2.98Å; V917-A921 PolarHBondContact O-N 2.91Å; V917-I932 HydrophobicContact CG1-CG2 3.87Å; V917-R935 HydrophobicContact CG1-CB 4.49Å; V917-R935 HydrophobicContact CG1-CG 4.38Å; V917-R935 HydrophobicContact CG2-CG 4.06Å; V917-V936 HydrophobicContact CB-CG2 4.08Å; V917-V936 HydrophobicContact CG1-CG2 3.9Å; V917-V936 HydrophobicContact CG2-CG2 4.03Å; V917-L939 HydrophobicContact CG2-CD1 3.51Å
918I80.2Confident77.4Confident93 Ų9392 Ų9248%0.47746%0.458SS..Hα-helixtrans-66.9-45.1174.3-70.2164.9000110.3L914 R915 E920 A921 E922L914-I918 WeakPolarHBondContact O-CB 2.95Å; L914-I918 WeakPolarHBondContact O-CD1 3.36Å; L914-I918 WeakPolarHBondContact O-CG1 3.24Å; L914-I918 PolarHBondContact O-N 3.14Å; R915-I918 PolarHBondContact O-N 3.39Å; I918-E920 VanDerWaalsContact C-N 3.33Å; I918-E920 PolarHBondContact O-N 3.15Å; I918-A921 PolarHBondContact O-N 2.74Å; I918-A921 VanDerWaalsContact O-N 3.14Å; I918-E922 WeakPolarHBondContact O-CG 3.49Å; I918-E922 PolarHBondContact O-N 3.28Å
919E82.4Confident77.1Confident111 Ų11194.9 Ų94.952%0.51947%0.468SS..Hα-helixtrans-61-40.2175.2-72.9171.6-172.900111.7R915 H916 L923R915-E919 WeakPolarHBondContact O-CB 3.47Å; R915-E919 WeakPolarHBondContact O-CG 3.48Å; R915-E919 PolarHBondContact O-N 2.93Å; H916-E919 PolarHBondContact O-N 3.37Å; E919-L923 WeakPolarHBondContact O-CD1 3.01Å; E919-L923 WeakPolarHBondContact O-CG 3.27Å; E919-L923 PolarHBondContact O-N 3.2Å
920E77.6Confident76.8Confident65 Ų6596.5 Ų96.530%0.30448%0.484SS..Hα-helixtrans-63.4-41.5172.3-76.2-174.5158.300112H916 V917 I918 L923 D924 R935H916-E920 IonicContact NE2-OE1 3.63Å; H916-E920 WeakPolarHBondContact O-CG 3.18Å; H916-E920 PolarHBondContact O-N 3Å; V917-E920 PolarHBondContact O-N 2.97Å; I918-E920 VanDerWaalsContact C-N 3.33Å; I918-E920 PolarHBondContact O-N 3.15Å; E920-L923 PolarHBondContact O-N 3.24Å; E920-D924 PolarHBondContact O-N 2.95Å; E920-R935 IonicContact OE2-NE 3.42Å
921A74.1Confident76.6Confident24 Ų2499.1 Ų99.120%0.19850%0.496CS..Hα-helixtrans-71.3-29.7-179.800000113V917 I918 L923 L927 I932V917-A921 VanDerWaalsContact O-CB 3.31Å; V917-A921 WeakPolarHBondContact O-CB 2.98Å; V917-A921 PolarHBondContact O-N 2.91Å; I918-A921 PolarHBondContact O-N 2.74Å; I918-A921 VanDerWaalsContact O-N 3.14Å; A921-L923 PolarHBondContact O-N 3.3Å; A921-L927 HydrophobicContact CB-CD2 4.39Å; A921-I932 HydrophobicContact CB-CD1 3.88Å; A921-I932 HydrophobicContact CB-CG1 4.25Å
922E77Confident76.3Confident156 Ų15698.7 Ų98.773%0.72949%0.491SS*.Hα-helixtrans-69.4-23.2172.9-75.2-178.4175.500112.6I918I918-E922 WeakPolarHBondContact O-CG 3.49Å; I918-E922 PolarHBondContact O-N 3.28Å
923L76.8Confident75.8Confident157 Ų15795.7 Ų95.782%0.82249%0.486SS*.Hα-helixtrans-88.1-15.9178.7-69.9166.5000113.8E919 E920 A921E919-L923 WeakPolarHBondContact O-CD1 3.01Å; E919-L923 WeakPolarHBondContact O-CG 3.27Å; E919-L923 PolarHBondContact O-N 3.2Å; E920-L923 PolarHBondContact O-N 3.24Å; A921-L923 PolarHBondContact O-N 3.3Å
924D71.1Confident75.7Confident75 Ų7598.1 Ų98.140%0.40151%0.505SS..  trans-129.497.8-176.9-166-7.1000111.5E920 N926 L927E920-D924 PolarHBondContact O-N 2.95Å; D924-N926 PolarHBondContact O-N 3.48Å; D924-N926 PolarHBondContact OD1-N 2.9Å; D924-L927 HydrophobicContact CB-CD1 3.95Å; D924-L927 PolarHBondContact O-N 3.22Å
925E64.4Low75.7Confident199 Ų19999.5 Ų99.593%0.9350%0.504SS*.THydrogen-bonded Turntrans-60.4-8.3-179.8-71-173.5161.500114.1
926N68.4Low75.5Confident142 Ų14292.9 Ų92.976%0.75948%0.482SS*.THydrogen-bonded Turntrans-97.81.6180-67.9-49.3000114.6D924 S928D924-N926 PolarHBondContact O-N 3.48Å; D924-N926 PolarHBondContact OD1-N 2.9Å; N926-S928 PolarHBondContact O-N 2.84Å
927L66.3Low75.2Confident54 Ų5490 Ų9028%0.28348%0.475SS..  trans-74.4114.8-178.9-116.389.8000112.2A921 D924 M931 I932A921-L927 HydrophobicContact CB-CD2 4.39Å; D924-L927 HydrophobicContact CB-CD1 3.95Å; D924-L927 PolarHBondContact O-N 3.22Å; L927-M931 HydrophobicContact CD2-CB 4.47Å; L927-M931 HydrophobicContact CG-CB 4.32Å; L927-I932 HydrophobicContact CB-CG1 4.36Å; L927-I932 HydrophobicContact CD2-CG1 3.6Å; L927-I932 HydrophobicContact CG-CG1 4.49Å
928S74.5Confident75.2Confident56 Ų5694.6 Ų94.639%0.39250%0.496SS..  trans-71.6150.2170.970.60000111.8N926 N930 M931 I932N926-S928 PolarHBondContact O-N 2.84Å; S928-N930 PolarHBondContact O-N 3.08Å; S928-N930 VanDerWaalsContact O-N 3.11Å; S928-M931 WeakPolarHBondContact O-CA 3.4Å; S928-M931 WeakPolarHBondContact O-CB 3.15Å; S928-M931 PolarHBondContact O-N 3.34Å; S928-M931 WeakPolarHBondContact OG-CG 3.4Å; S928-M931 PolarHBondContact OG-N 2.82Å; S928-I932 PolarHBondContact O-N 3.46Å
929I73.7Confident75.2Confident141 Ų14191.7 Ų91.772%0.72348%0.482SS*.Hα-helixtrans-52.4-35.8174.5-65.2172.2000111.7I932 S933I929-I932 PolarHBondContact O-N 2.95Å; I929-S933 WeakPolarHBondContact O-CB 3.34Å; I929-S933 PolarHBondContact O-N 2.79Å
930N74.8Confident74.8Confident132 Ų13287.1 Ų87.171%0.70646%0.462SS*.Hα-helixtrans-65.9-38.4176.8-69-16.3000112.2S928 S934S928-N930 PolarHBondContact O-N 3.08Å; S928-N930 VanDerWaalsContact O-N 3.11Å; N930-S934 WeakPolarHBondContact O-CB 3.32Å; N930-S934 PolarHBondContact O-N 2.84Å
931M74.3Confident74.7Confident113 Ų11389.4 Ų89.456%0.55747%0.467SS*.Hα-helixtrans-66.5-44.3174.8-79.5-176.9147.300111.2L927 S928 S933 S934 R935L927-M931 HydrophobicContact CD2-CB 4.47Å; L927-M931 HydrophobicContact CG-CB 4.32Å; S928-M931 WeakPolarHBondContact O-CA 3.4Å; S928-M931 WeakPolarHBondContact O-CB 3.15Å; S928-M931 PolarHBondContact O-N 3.34Å; S928-M931 WeakPolarHBondContact OG-CG 3.4Å; S928-M931 PolarHBondContact OG-N 2.82Å; M931-S933 PolarHBondContact O-N 3.43Å; M931-S934 PolarHBondContact O-N 3.18Å; M931-S934 PolarHBondContact O-OG 3.34Å; M931-R935 WeakPolarHBondContact O-CB 3.44Å; M931-R935 PolarHBondContact O-N 2.95Å
932I75.4Confident74.9Confident50 Ų5092 Ų9226%0.25648%0.475SS..Hα-helixtrans-56.1-52.5174.6-63.8173.7000110.2V917 A921 L927 S928 I929 S934 R935 V936V917-I932 HydrophobicContact CG1-CG2 3.87Å; A921-I932 HydrophobicContact CB-CD1 3.88Å; A921-I932 HydrophobicContact CB-CG1 4.25Å; L927-I932 HydrophobicContact CB-CG1 4.36Å; L927-I932 HydrophobicContact CD2-CG1 3.6Å; L927-I932 HydrophobicContact CG-CG1 4.49Å; S928-I932 PolarHBondContact O-N 3.46Å; I929-I932 PolarHBondContact O-N 2.95Å; I932-S934 VanDerWaalsContact C-N 3.35Å; I932-S934 PolarHBondContact O-N 3.17Å; I932-R935 WeakPolarHBondContact O-CB 3.48Å; I932-R935 PolarHBondContact O-N 2.98Å; I932-R935 VanDerWaalsContact O-N 3.13Å; I932-V936 HydrophobicContact CG2-CG2 4.46Å; I932-V936 WeakPolarHBondContact O-CG2 3.34Å; I932-V936 PolarHBondContact O-N 3.41Å
933S74Confident74.9Confident76 Ų7686 Ų8653%0.53145%0.448SS..Hα-helixtrans-58.5-45.11791770000112I929 M931 R935 V936 A937I929-S933 WeakPolarHBondContact O-CB 3.34Å; I929-S933 PolarHBondContact O-N 2.79Å; M931-S933 PolarHBondContact O-N 3.43Å; S933-R935 VanDerWaalsContact C-N 3.29Å; S933-R935 PolarHBondContact O-N 3.41Å; S933-V936 PolarHBondContact O-N 2.79Å; S933-A937 WeakPolarHBondContact O-CB 3.36Å; S933-A937 PolarHBondContact O-N 2.89Å
934S78.6Confident74.6Confident74 Ų7478.8 Ų78.852%0.51741%0.41SS..Hα-helixtrans-63.1-36.5177.480.20000112.6N930 M931 I932 H938N930-S934 WeakPolarHBondContact O-CB 3.32Å; N930-S934 PolarHBondContact O-N 2.84Å; M931-S934 PolarHBondContact O-N 3.18Å; M931-S934 PolarHBondContact O-OG 3.34Å; I932-S934 VanDerWaalsContact C-N 3.35Å; I932-S934 PolarHBondContact O-N 3.17Å; S934-H938 WeakPolarHBondContact O-CB 3.33Å; S934-H938 PolarHBondContact O-N 3.4Å
935R79.3Confident74.6Confident107 Ų10780.6 Ų80.640%0.40442%0.419SS..Hα-helixtrans-70.5-46.1-179.6-17461.5169.8174.30.5110.9V917 E920 M931 I932 S933 H938 L939V917-R935 HydrophobicContact CG1-CB 4.49Å; V917-R935 HydrophobicContact CG1-CG 4.38Å; V917-R935 HydrophobicContact CG2-CG 4.06Å; E920-R935 IonicContact OE2-NE 3.42Å; M931-R935 WeakPolarHBondContact O-CB 3.44Å; M931-R935 PolarHBondContact O-N 2.95Å; I932-R935 WeakPolarHBondContact O-CB 3.48Å; I932-R935 PolarHBondContact O-N 2.98Å; I932-R935 VanDerWaalsContact O-N 3.13Å; S933-R935 VanDerWaalsContact C-N 3.29Å; S933-R935 PolarHBondContact O-N 3.41Å; R935-H938 PolarHBondContact O-N 2.89Å; R935-L939 HydrophobicContact CG-CD1 4.18Å; R935-L939 WeakPolarHBondContact O-CB 3.05Å; R935-L939 WeakPolarHBondContact O-CG 3.37Å; R935-L939 PolarHBondContact O-N 3.29Å
936V79Confident74.8Confident29 Ų2978.4 Ų78.418%0.17641%0.407CS..Hα-helixtrans-57.6-51.7172.9175.70000109.5L914 V917 I932 S933 H938 L939 T940L914-V936 HydrophobicContact CD2-CG1 3.89Å; L914-V936 HydrophobicContact CD2-CG2 3.94Å; V917-V936 HydrophobicContact CB-CG2 4.08Å; V917-V936 HydrophobicContact CG1-CG2 3.9Å; V917-V936 HydrophobicContact CG2-CG2 4.03Å; I932-V936 HydrophobicContact CG2-CG2 4.46Å; I932-V936 WeakPolarHBondContact O-CG2 3.34Å; I932-V936 PolarHBondContact O-N 3.41Å; S933-V936 PolarHBondContact O-N 2.79Å; V936-H938 VanDerWaalsContact C-N 3.3Å; V936-H938 PolarHBondContact O-N 3.23Å; V936-L939 PolarHBondContact O-N 2.95Å; V936-T940 WeakPolarHBondContact O-CB 3.46Å; V936-T940 PolarHBondContact O-N 3.5Å; V936-T940 PolarHBondContact O-OG1 3.43Å
937A76.2Confident74.5Confident35 Ų3573.4 Ų73.429%0.28938%0.377SS..Hα-helixtrans-57.8-40.8179.400000112.7S933 R941 I960S933-A937 WeakPolarHBondContact O-CB 3.36Å; S933-A937 PolarHBondContact O-N 2.89Å; A937-R941 WeakPolarHBondContact O-CB 3.5Å; A937-R941 PolarHBondContact O-N 3.5Å; A937-I960 HydrophobicContact CB-CG2 4.16Å
938H80.3Confident73.8Confident97 Ų9776.2 Ų76.245%0.44940%0.399SS..Hα-helixtrans-64.7-49.5176.1-176.4-74.2000112.2S934 R935 V936 R941 E942S934-H938 WeakPolarHBondContact O-CB 3.33Å; S934-H938 PolarHBondContact O-N 3.4Å; R935-H938 PolarHBondContact O-N 2.89Å; V936-H938 VanDerWaalsContact C-N 3.3Å; V936-H938 PolarHBondContact O-N 3.23Å; H938-R941 WeakPolarHBondContact O-CB 3.49Å; H938-R941 PolarHBondContact O-N 3.38Å; H938-E942 IonicContact CE1-OE1 3.38Å; H938-E942 PolarHBondContact CE1-OE1 2.92Å; H938-E942 PolarHBondContact O-N 3.43Å
939L80.7Confident72.7Confident32 Ų3280.8 Ų80.817%0.16842%0.419CS..Hα-helixtrans-64.5-41.3180-70.9172.7000111.6I913 V917 R935 V936 R941 E942 L943I913-L939 HydrophobicContact CD1-CB 4.35Å; I913-L939 HydrophobicContact CG1-CB 4.47Å; I913-L939 HydrophobicContact CG2-CB 3.65Å; I913-L939 HydrophobicContact CG2-CD1 3.96Å; I913-L939 HydrophobicContact CG2-CG 4.48Å; V917-L939 HydrophobicContact CG2-CD1 3.51Å; R935-L939 HydrophobicContact CG-CD1 4.18Å; R935-L939 WeakPolarHBondContact O-CB 3.05Å; R935-L939 WeakPolarHBondContact O-CG 3.37Å; R935-L939 PolarHBondContact O-N 3.29Å; V936-L939 PolarHBondContact O-N 2.95Å; L939-R941 VanDerWaalsContact C-N 3.32Å; L939-R941 PolarHBondContact O-N 3.22Å; L939-E942 PolarHBondContact O-N 3.32Å; L939-L943 WeakPolarHBondContact O-CB 3.49Å; L939-L943 PolarHBondContact O-N 2.93Å
940T74.7Confident71.8Confident16 Ų1678.2 Ų78.210%0.09841%0.407CS..Hα-helixtrans-62.7-41.6174.4-54.10000111.2L910 V936 L943 L944 I960L910-T940 HydrophobicContact CD2-CG2 3.4Å; L910-T940 VanDerWaalsContact CD2-CG2 3.4Å; V936-T940 WeakPolarHBondContact O-CB 3.46Å; V936-T940 PolarHBondContact O-N 3.5Å; V936-T940 PolarHBondContact O-OG1 3.43Å; T940-L943 WeakPolarHBondContact O-CB 3.01Å; T940-L943 PolarHBondContact O-N 2.94Å; T940-L944 HydrophobicContact CG2-CD1 4.37Å; T940-L944 WeakPolarHBondContact O-CG 3.42Å; T940-L944 PolarHBondContact O-N 2.87Å; T940-I960 HydrophobicContact CG2-CD1 3.46Å; T940-I960 VanDerWaalsContact CG2-CD1 3.46Å; T940-I960 HydrophobicContact CG2-CG1 4.37Å
941R75.1Confident70.8Confident113 Ų11374.6 Ų74.643%0.42639%0.389SS..Hα-helixtrans-63-43.3175.9179.4163.3-169.4164.3-3.5112.2A937 H938 L939 L943 L944 L945 L957A937-R941 WeakPolarHBondContact O-CB 3.5Å; A937-R941 PolarHBondContact O-N 3.5Å; H938-R941 WeakPolarHBondContact O-CB 3.49Å; H938-R941 PolarHBondContact O-N 3.38Å; L939-R941 VanDerWaalsContact C-N 3.32Å; L939-R941 PolarHBondContact O-N 3.22Å; R941-L943 VanDerWaalsContact C-N 3.31Å; R941-L943 PolarHBondContact O-N 2.95Å; R941-L944 PolarHBondContact O-N 3.46Å; R941-L945 HydrophobicContact CG-CD1 3.78Å; R941-L945 HydrophobicContact CG-CG 4.39Å; R941-L945 WeakPolarHBondContact O-CB 3.31Å; R941-L945 WeakPolarHBondContact O-CG 3.31Å; R941-L945 PolarHBondContact O-N 3.4Å; R941-L957 HydrophobicContact CB-CD2 4.19Å; R941-L957 HydrophobicContact CG-CD2 3.67Å
942E78.5Confident69.9Low78 Ų7870.5 Ų70.536%0.36437%0.371SS..Hα-helixtrans-60.4-41.4172.9-78.5-157.8170.600112.2H938 L939 L944 L945 K946H938-E942 IonicContact CE1-OE1 3.38Å; H938-E942 PolarHBondContact CE1-OE1 2.92Å; H938-E942 PolarHBondContact O-N 3.43Å; L939-E942 PolarHBondContact O-N 3.32Å; E942-L944 VanDerWaalsContact C-N 3.33Å; E942-L944 PolarHBondContact O-N 3.36Å; E942-L945 PolarHBondContact O-N 3.26Å; E942-K946 WeakPolarHBondContact O-CB 3.27Å; E942-K946 VanDerWaalsContact O-CG 3.31Å; E942-K946 WeakPolarHBondContact O-CG 3.31Å; E942-K946 PolarHBondContact O-N 2.85Å; E942-K946 IonicContact OE2-NZ 3.34Å; E942-K946 PolarHBondContact OE2-NZ 3.36Å
943L76.3Confident69.1Low30 Ų3068.6 Ų68.616%0.15736%0.362CS..Hα-helixtrans-61.3-43.4178.6-177.5140.7000111.7L906 R909 I913 L939 T940 R941L906-L943 HydrophobicContact CD2-CD2 3.57Å; R909-L943 HydrophobicContact CB-CD1 3.55Å; R909-L943 HydrophobicContact CG-CD1 4.38Å; I913-L943 HydrophobicContact CD1-CB 4.04Å; I913-L943 HydrophobicContact CD1-CD1 3.6Å; I913-L943 HydrophobicContact CD1-CG 4.42Å; L939-L943 WeakPolarHBondContact O-CB 3.49Å; L939-L943 PolarHBondContact O-N 2.93Å; T940-L943 WeakPolarHBondContact O-CB 3.01Å; T940-L943 PolarHBondContact O-N 2.94Å; R941-L943 VanDerWaalsContact C-N 3.31Å; R941-L943 PolarHBondContact O-N 2.95Å
944L70.5Confident68.3Low5 Ų570.4 Ų70.43%0.02637%0.366CS..Hα-helixtrans-70.1-34.7177.6-67.6176.1000112.5L906 T940 R941 E942 S953 L956 L957 I960L906-L944 HydrophobicContact CD1-CD2 4.26Å; L906-L944 HydrophobicContact CD2-CD2 4.03Å; T940-L944 HydrophobicContact CG2-CD1 4.37Å; T940-L944 WeakPolarHBondContact O-CG 3.42Å; T940-L944 PolarHBondContact O-N 2.87Å; R941-L944 PolarHBondContact O-N 3.46Å; E942-L944 VanDerWaalsContact C-N 3.33Å; E942-L944 PolarHBondContact O-N 3.36Å; L944-S953 PolarHBondContact O-OG 2.92Å; L944-L956 HydrophobicContact CD1-CB 3.73Å; L944-L956 HydrophobicContact CD2-CB 4.26Å; L944-L956 HydrophobicContact CD2-CD1 3.86Å; L944-L957 HydrophobicContact CB-CD2 4.23Å; L944-L957 HydrophobicContact CB-CG 4.24Å; L944-L957 HydrophobicContact CD1-CD2 4.09Å; L944-L957 HydrophobicContact CD1-CG 4.05Å; L944-I960 HydrophobicContact CD1-CD1 3.29Å
945L71.1Confident67.3Low113 Ų11368.2 Ų68.259%0.59235%0.35SS*.Hα-helixtrans-75.4-28.2177.7-72.6169.9000113.5R941 E942 R947 L957R941-L945 HydrophobicContact CG-CD1 3.78Å; R941-L945 HydrophobicContact CG-CG 4.39Å; R941-L945 WeakPolarHBondContact O-CB 3.31Å; R941-L945 WeakPolarHBondContact O-CG 3.31Å; R941-L945 PolarHBondContact O-N 3.4Å; E942-L945 PolarHBondContact O-N 3.26Å; L945-R947 PolarHBondContact O-N 3.43Å; L945-L957 HydrophobicContact CD2-CD1 4.19Å
946K69Low66.4Low154 Ų15464.7 Ų64.767%0.6734%0.339SS*.THydrogen-bonded Turntrans-69.8-12.9176.3-80.9174.2-174.5166.20113.3E942 P948E942-K946 WeakPolarHBondContact O-CB 3.27Å; E942-K946 VanDerWaalsContact O-CG 3.31Å; E942-K946 WeakPolarHBondContact O-CG 3.31Å; E942-K946 PolarHBondContact O-N 2.85Å; E942-K946 IonicContact OE2-NZ 3.34Å; E942-K946 PolarHBondContact OE2-NZ 3.36Å; K946-P948 VanDerWaalsContact O-CD 3.32Å; K946-P948 WeakPolarHBondContact O-CD 3.4Å
947R62.5Low65.6Low36 Ų3664.1 Ų64.114%0.13634%0.335CS..SBendtrans-77.1116.8173.6-80.7-169.5170.9164.15.5110.4E905 L945 N949E905-R947 IonicContact OE1-CZ 3.64Å; E905-R947 IonicContact OE1-NE 2.91Å; E905-R947 IonicContact OE1-NH2 3.6Å; E905-R947 PolarHBondContact OE1-NH2 3.02Å; E905-R947 IonicContact OE2-CZ 2.97Å; E905-R947 IonicContact OE2-NH2 2.77Å; E905-R947 PolarHBondContact OE2-NH2 3.08Å; L945-R947 PolarHBondContact O-N 3.43Å; R947-N949 PolarHBondContact O-N 3.04Å
948P52Low64.8Low114 Ų11465.7 Ų65.774%0.7434%0.344SS*.SBendtrans-6912217128.6-29.7000109K946 N950K946-P948 VanDerWaalsContact O-CD 3.32Å; K946-P948 WeakPolarHBondContact O-CD 3.4Å; P948-N950 PolarHBondContact O-N 3.34Å
949N50.5Low63.7Low151 Ų15164 Ų6481%0.80734%0.338SS*.SBendtrans56.750.7161.2-67.1-14.5000118.5R947R947-N949 PolarHBondContact O-N 3.04Å
950N55.2Low62.4Low88 Ų8865 Ų6547%0.47134%0.343SS..  trans-130.2114.6164.2-91.1-21.1000111.5P948 P952 S953P948-N950 PolarHBondContact O-N 3.34Å; N950-P952 VanDerWaalsContact O-CD 3.27Å; N950-P952 WeakPolarHBondContact O-CD 3.47Å; N950-P952 VanDerWaalsContact O-N 3.09Å; N950-S953 WeakPolarHBondContact O-CB 3.45Å; N950-S953 PolarHBondContact O-N 2.93Å; N950-S953 VanDerWaalsContact O-N 3.08Å; N950-S953 PolarHBondContact O-OG 2.93Å
951V53Low61.1Low56 Ų5671.6 Ų71.634%0.33937%0.37SS..THydrogen-bonded Turntrans-46.1-29.2179.8-164.40000115.9E882 S953 D954E882-V951 WeakPolarHBondContact OE2-CG1 3.49Å; V951-S953 PolarHBondContact O-N 3.26Å; V951-S953 VanDerWaalsContact O-N 3.08Å; V951-D954 PolarHBondContact O-N 3.37Å
952P56.4Low59.6Low27 Ų2775.5 Ų75.518%0.17539%0.39CS..Hα-helixtrans-58-25.7174.9-28.736.4000115.3L879 M902 N950 D954 C955 L956L879-P952 HydrophobicContact CD2-CB 3.44Å; L879-P952 VanDerWaalsContact CD2-CB 3.44Å; L879-P952 HydrophobicContact CD2-CG 3.63Å; M902-P952 HydrophobicContact CE-CB 3.64Å; M902-P952 HydrophobicContact CE-CG 4.44Å; M902-P952 HydrophobicContact SD-CB 3.01Å; M902-P952 WeakPolarHBondContact SD-CB 3.37Å; M902-P952 HydrophobicContact SD-CG 3.74Å; N950-P952 VanDerWaalsContact O-CD 3.27Å; N950-P952 WeakPolarHBondContact O-CD 3.47Å; N950-P952 VanDerWaalsContact O-N 3.09Å; P952-D954 VanDerWaalsContact C-N 3.26Å; P952-D954 PolarHBondContact O-N 3.49Å; P952-C955 PolarHBondContact O-N 2.88Å; P952-L956 WeakPolarHBondContact O-CB 3.5Å; P952-L956 WeakPolarHBondContact O-CD1 3.34Å; P952-L956 VanDerWaalsContact O-CG 3.24Å; P952-L956 WeakPolarHBondContact O-CG 3.39Å; P952-L956 PolarHBondContact O-N 3.3Å
953S57.6Low58.6Low10 Ų1075.4 Ų75.47%0.0739%0.392CS..Hα-helixtrans-58.2-39174.3-650000111.4L944 N950 V951 L956 L957L944-S953 PolarHBondContact O-OG 2.92Å; N950-S953 WeakPolarHBondContact O-CB 3.45Å; N950-S953 PolarHBondContact O-N 2.93Å; N950-S953 VanDerWaalsContact O-N 3.08Å; N950-S953 PolarHBondContact O-OG 2.93Å; V951-S953 PolarHBondContact O-N 3.26Å; V951-S953 VanDerWaalsContact O-N 3.08Å; S953-L956 PolarHBondContact O-N 2.95Å; S953-L957 WeakPolarHBondContact O-CB 3.5Å; S953-L957 VanDerWaalsContact O-CD1 3.31Å; S953-L957 WeakPolarHBondContact O-CD1 3.5Å; S953-L957 WeakPolarHBondContact O-CG 3.46Å; S953-L957 PolarHBondContact O-N 3.47Å
954D58.4Low57.7Low114 Ų11477.8 Ų77.861%0.6140%0.404SS*.Hα-helixtrans-73.2-40-178.2-71-31.7000112.6V951 P952 L957 S958V951-D954 PolarHBondContact O-N 3.37Å; P952-D954 VanDerWaalsContact C-N 3.26Å; P952-D954 PolarHBondContact O-N 3.49Å; D954-L957 PolarHBondContact O-N 3.36Å; D954-S958 PolarHBondContact O-N 3.33Å
955C56.8Low57Low28 Ų2881.8 Ų81.819%0.18943%0.425CS..Hα-helixtrans-61.2-45.7172.5-87.40000111.1P952 S958 L959P952-C955 PolarHBondContact O-N 2.88Å; C955-S958 WeakPolarHBondContact O-CB 3.21Å; C955-S958 PolarHBondContact O-N 2.91Å; C955-S958 PolarHBondContact O-OG 2.8Å; C955-L959 PolarHBondContact O-N 3.45Å
956L61.4Low56.1Low32 Ų3280 Ų8017%0.16842%0.415CS..Hα-helixtrans-70-35.1178.2-68.4168.7000112.6M902 L906 L944 P952 S953 S958 L959 I960M902-L956 HydrophobicContact CE-CD1 3.65Å; M902-L956 HydrophobicContact CE-CG 4.26Å; M902-L956 HydrophobicContact SD-CD1 3.72Å; L906-L956 HydrophobicContact CD1-CD1 3.27Å; L944-L956 HydrophobicContact CD1-CB 3.73Å; L944-L956 HydrophobicContact CD2-CB 4.26Å; L944-L956 HydrophobicContact CD2-CD1 3.86Å; P952-L956 WeakPolarHBondContact O-CB 3.5Å; P952-L956 WeakPolarHBondContact O-CD1 3.34Å; P952-L956 VanDerWaalsContact O-CG 3.24Å; P952-L956 WeakPolarHBondContact O-CG 3.39Å; P952-L956 PolarHBondContact O-N 3.3Å; S953-L956 PolarHBondContact O-N 2.95Å; L956-S958 PolarHBondContact O-N 3.46Å; L956-L959 HydrophobicContact CD2-CD1 4.13Å; L956-L959 WeakPolarHBondContact O-CB 3.36Å; L956-L959 PolarHBondContact O-N 3.39Å; L956-I960 WeakPolarHBondContact O-CD1 3.4Å; L956-I960 WeakPolarHBondContact O-CG1 3.31Å; L956-I960 PolarHBondContact O-N 2.91Å
957L61.5Low55.3Low18 Ų1875.4 Ų75.49%0.09440%0.399CS..Hα-helixtrans-65.7-28.7173.4-76.6166.8000111.8R941 L944 L945 S953 D954 K961R941-L957 HydrophobicContact CB-CD2 4.19Å; R941-L957 HydrophobicContact CG-CD2 3.67Å; L944-L957 HydrophobicContact CB-CD2 4.23Å; L944-L957 HydrophobicContact CB-CG 4.24Å; L944-L957 HydrophobicContact CD1-CD2 4.09Å; L944-L957 HydrophobicContact CD1-CG 4.05Å; L945-L957 HydrophobicContact CD2-CD1 4.19Å; S953-L957 WeakPolarHBondContact O-CB 3.5Å; S953-L957 VanDerWaalsContact O-CD1 3.31Å; S953-L957 WeakPolarHBondContact O-CD1 3.5Å; S953-L957 WeakPolarHBondContact O-CG 3.46Å; S953-L957 PolarHBondContact O-N 3.47Å; D954-L957 PolarHBondContact O-N 3.36Å; L957-K961 WeakPolarHBondContact O-CG 3.32Å; L957-K961 PolarHBondContact O-N 2.98Å
958S59.5Low54.9Low68 Ų6878 Ų7848%0.47642%0.417SS..Hα-helixtrans-70.3-35.7173.383.80000112.3D954 C955 L956 K961D954-S958 PolarHBondContact O-N 3.33Å; C955-S958 WeakPolarHBondContact O-CB 3.21Å; C955-S958 PolarHBondContact O-N 2.91Å; C955-S958 PolarHBondContact O-OG 2.8Å; L956-S958 PolarHBondContact O-N 3.46Å; S958-K961 PolarHBondContact O-N 2.75Å
959L56.7Low55.1Low60 Ų6075.4 Ų75.431%0.31439%0.394SS..Hα-helixtrans-67.7-40173.3-75.2167.8000111.8V875 C955 L956 K961 K962V875-L959 HydrophobicContact CG1-CD1 4.29Å; V875-L959 HydrophobicContact CG2-CD1 3.76Å; V875-L959 HydrophobicContact CG2-CD2 4.35Å; V875-L959 HydrophobicContact CG2-CG 4.21Å; C955-L959 PolarHBondContact O-N 3.45Å; L956-L959 HydrophobicContact CD2-CD1 4.13Å; L956-L959 WeakPolarHBondContact O-CB 3.36Å; L956-L959 PolarHBondContact O-N 3.39Å; L959-K961 VanDerWaalsContact C-N 3.26Å; L959-K961 PolarHBondContact O-N 3.38Å; L959-K962 PolarHBondContact O-N 3.31Å; L959-K962 VanDerWaalsContact O-OXT 3.06Å
960I54.7Low55.4Low54 Ų5469.6 Ų69.628%0.27736%0.362SS..Hα-helixtrans-71.3-20.8179.9-66.1158.6000112.6A937 T940 L944 L956A937-I960 HydrophobicContact CB-CG2 4.16Å; T940-I960 HydrophobicContact CG2-CD1 3.46Å; T940-I960 VanDerWaalsContact CG2-CD1 3.46Å; T940-I960 HydrophobicContact CG2-CG1 4.37Å; L944-I960 HydrophobicContact CD1-CD1 3.29Å; L956-I960 WeakPolarHBondContact O-CD1 3.4Å; L956-I960 WeakPolarHBondContact O-CG1 3.31Å; L956-I960 PolarHBondContact O-N 2.91Å
961K47.6Very low55.4Low155 Ų15568.1 Ų68.167%0.67435%0.353SS*.Hα-helixtrans-80.4-22175.7-83.3-179.1179.8175.80113.2L957 S958 L959L957-K961 WeakPolarHBondContact O-CG 3.32Å; L957-K961 PolarHBondContact O-N 2.98Å; S958-K961 PolarHBondContact O-N 2.75Å; L959-K961 VanDerWaalsContact C-N 3.26Å; L959-K961 PolarHBondContact O-N 3.38Å
962K41.7Very low55.6Low195 Ų19569.2 Ų69.285%0.84835%0.354SS*.  trans-85.30170.6-76.1-179.7169-177.50109.1E871 L959E871-K962 IonicContact OE1-NZ 3.17Å; E871-K962 PolarHBondContact OE1-NZ 3.29Å; L959-K962 PolarHBondContact O-N 3.31Å; L959-K962 VanDerWaalsContact O-OXT 3.06Å

Retrieved 962 of 962 residues in 2260.3 ms (Link to these results)

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