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Ubiquitin-conjugating enzyme E2 J2

Catalyzes the covalent attachment of ubiquitin to other proteins. Seems to function in the selective degradation of misfolded membrane proteins from the endoplasmic reticulum (ERAD). In cooperation with the GATOR2 complex, catalyzes 'Lys-6'-linked ubiquitination of NPRL2.

AlphaFold DB , UniProt , Accession G4M0Y6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.5Very low51.3Low250 Ų250124.2 Ų124.2100%1.23273%0.73SS**  090.20-63.3179.5-165.900108
2A46Very low54.5Low100 Ų100119.8 Ų119.883%0.82671%0.706SS**  trans-90.1112.2176.200000107.9T4A2-T4 PolarHBondContact O-N 3.05Å
3G47.6Very low57.6Low77 Ų77110.6 Ų110.679%0.79465%0.652SS**  trans-62.7114.1-171.900000113.2N5G3-N5 VanDerWaalsContact C-N 3.26Å; G3-N5 PolarHBondContact O-N 3.22Å
4T50.2Low60.3Low145 Ų145105.9 Ų105.989%0.8962%0.622SS**  trans-76.471.4166.836.60000110.1A2A2-T4 PolarHBondContact O-N 3.05Å
5N47.1Very low62.7Low126 Ų126107.2 Ų107.267%0.67462%0.62SS**  trans-117.751.2-178.9-158.40.2000113.2G3G3-N5 VanDerWaalsContact C-N 3.26Å; G3-N5 PolarHBondContact O-N 3.22Å
6R50.3Low64.9Low242 Ų242102.9 Ų102.991%0.91359%0.59SS**SBendtrans-122.8-11.4178.3-74.5-168.1-162.2-167.85.5116.9
7S46.4Very low66.8Low102 Ų10296.9 Ų96.971%0.71356%0.556SS**SBendtrans-98.1-14.7-176.573.10000115.7
8V50.1Low68.5Low93 Ų9398.4 Ų98.456%0.56456%0.555SS**SBendtrans-78.7-27.5-169.5-175.30000113.3S11V8-S11 PolarHBondContact O-OG 3.26Å
9N50.2Low70.1Confident105 Ų10598.8 Ų98.856%0.56155%0.552SS**Hα-helixtrans-89.9-18.1-172.8-65.7-10.6000114.4S11N9-S11 VanDerWaalsContact C-N 3.26Å; N9-S11 PolarHBondContact O-N 3.24Å
10C55.5Low71.5Confident68 Ų6893.9 Ų93.946%0.45952%0.524SS..Hα-helixtrans-71.1-23-178.8-160.30000112.1L14C10-L14 WeakPolarHBondContact O-CB 3.35Å; C10-L14 VanDerWaalsContact O-CD1 3.3Å; C10-L14 WeakPolarHBondContact O-CD1 3.29Å; C10-L14 VanDerWaalsContact O-CG 3.28Å; C10-L14 WeakPolarHBondContact O-CG 3.24Å
11S79.2Confident72.8Confident58 Ų5893.1 Ų93.141%0.40651%0.514SS..Hα-helixtrans-78.9-43.2-177.459.20000113.3V8 N9 Q15V8-S11 PolarHBondContact O-OG 3.26Å; N9-S11 VanDerWaalsContact C-N 3.26Å; N9-S11 PolarHBondContact O-N 3.24Å; S11-Q15 WeakPolarHBondContact O-CB 3.34Å; S11-Q15 WeakPolarHBondContact O-CG 3.25Å; S11-Q15 PolarHBondContact O-N 3.2Å
12T90.3Very high75.5Confident71 Ų7187 Ų8744%0.43649%0.486SS..Hα-helixtrans-73.9-43.3-170.957.50000112.7Q15 R16T12-Q15 PolarHBondContact O-N 3.47Å; T12-R16 WeakPolarHBondContact O-CB 3.3Å; T12-R16 PolarHBondContact O-N 2.66Å
13A94.9Very high77.9Confident1 Ų187.1 Ų87.11%0.00847%0.465CS..Hα-helixtrans-64.1-42.8177.500000112R16 L17 F42 R69 F71A13-R16 PolarHBondContact O-N 3.24Å; A13-L17 WeakPolarHBondContact O-CG 3.38Å; A13-L17 PolarHBondContact O-N 2.77Å; A13-F42 HydrophobicContact CB-CE1 3.85Å; A13-F42 HydrophobicContact CB-CZ 3.96Å; A13-R69 WeakPolarHBondContact CB-O 3.49Å; A13-F71 VanDerWaalsContact CA-O 3.25Å; A13-F71 WeakPolarHBondContact CA-O 3.4Å; A13-F71 WeakPolarHBondContact CB-O 3.49Å
14L95.6Very high80.4Confident44 Ų4484 Ų8423%0.2343%0.43CS..Hα-helixtrans-63.9-43.3175.1-77.1179.9000112.1C10 R16 L17 K18 L41 F42C10-L14 WeakPolarHBondContact O-CB 3.35Å; C10-L14 VanDerWaalsContact O-CD1 3.3Å; C10-L14 WeakPolarHBondContact O-CD1 3.29Å; C10-L14 VanDerWaalsContact O-CG 3.28Å; C10-L14 WeakPolarHBondContact O-CG 3.24Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 2.93Å; L14-L17 PolarHBondContact O-N 3.32Å; L14-K18 WeakPolarHBondContact O-CB 3.44Å; L14-K18 VanDerWaalsContact O-CG 3.31Å; L14-K18 WeakPolarHBondContact O-CG 3.48Å; L14-K18 PolarHBondContact O-N 3.24Å; L14-L41 HydrophobicContact CD2-CB 3.73Å; L14-L41 HydrophobicContact CD2-CD1 3.94Å; L14-L41 HydrophobicContact CD2-CG 4.38Å; L14-F42 HydrophobicContact CD1-CE2 4.44Å; L14-F42 HydrophobicContact CD2-CD2 3.85Å; L14-F42 HydrophobicContact CD2-CE2 3.24Å; L14-F42 HydrophobicContact CD2-CZ 3.9Å; L14-F42 HydrophobicContact CG-CE2 3.67Å; L14-F42 HydrophobicContact CG-CZ 3.96Å
15Q95.7Very high82.6Confident126 Ų12680.7 Ų80.759%0.58941%0.412SS*.Hα-helixtrans-59.4-43.2174.4-78.3170.5-20.500111.2S11 T12 K18 Q19S11-Q15 WeakPolarHBondContact O-CB 3.34Å; S11-Q15 WeakPolarHBondContact O-CG 3.25Å; S11-Q15 PolarHBondContact O-N 3.2Å; T12-Q15 PolarHBondContact O-N 3.47Å; Q15-K18 PolarHBondContact O-N 3.3Å; Q15-Q19 PolarHBondContact O-N 3.35Å
16R97.4Very high85Confident38 Ų3883.6 Ų83.614%0.14342%0.419CS..Hα-helixtrans-61.6-47.1176.5173.957.8-166.1-79.9-16.9112.1T12 A13 L14 K18 Q19 D20 F71 P72 P107 W109T12-R16 WeakPolarHBondContact O-CB 3.3Å; T12-R16 PolarHBondContact O-N 2.66Å; A13-R16 PolarHBondContact O-N 3.24Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 2.93Å; R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 PolarHBondContact O-N 2.75Å; R16-Q19 WeakPolarHBondContact O-CB 3.36Å; R16-Q19 PolarHBondContact O-N 3.17Å; R16-D20 IonicContact CZ-OD1 3.74Å; R16-D20 IonicContact CZ-OD2 3.74Å; R16-D20 IonicContact NE-OD1 3.48Å; R16-D20 PolarHBondContact NE-OD1 3.36Å; R16-D20 IonicContact NE-OD2 3.4Å; R16-D20 PolarHBondContact NE-OD2 2.98Å; R16-D20 IonicContact NH2-OD1 2.78Å; R16-D20 IonicContact NH2-OD2 3.15Å; R16-D20 PolarHBondContact NH2-OD2 2.92Å; R16-D20 VanDerWaalsContact NH2-OD2 3.15Å; R16-D20 PolarHBondContact O-N 3.37Å; R16-F71 HydrophobicContact CG-CD1 3.98Å; R16-F71 HydrophobicContact CG-CE1 3.73Å; R16-P72 HydrophobicContact CG-CB 4.13Å; R16-P72 HydrophobicContact CG-CG 4.05Å; R16-P107 PolarHBondContact NH1-O 2.72Å; R16-W109 PolarHBondContact NH2-O 2.9Å
17L98.3Very high87.3Confident2 Ų277.5 Ų77.51%0.0141%0.405CS..Hα-helixtrans-64.5-37.8178.4-72.1163.7000112.1A13 L14 Q19 D20 Y21 L41 F42 W44 F67 F71 V111A13-L17 WeakPolarHBondContact O-CG 3.38Å; A13-L17 PolarHBondContact O-N 2.77Å; L14-L17 PolarHBondContact O-N 3.32Å; L17-Q19 VanDerWaalsContact C-N 3.34Å; L17-Q19 PolarHBondContact O-N 3.02Å; L17-D20 PolarHBondContact O-N 2.87Å; L17-Y21 PolarHBondContact O-N 3.37Å; L17-L41 WeakPolarHBondContact CD1-O 3.49Å; L17-F42 HydrophobicContact CD1-CD1 3.86Å; L17-F42 HydrophobicContact CD1-CE1 4.02Å; L17-F42 HydrophobicContact CD1-CG 4.21Å; L17-W44 HydrophobicContact CB-CZ2 4.41Å; L17-W44 HydrophobicContact CD2-CZ2 4.43Å; L17-F67 HydrophobicContact CD1-CB 4.3Å; L17-F67 HydrophobicContact CD1-CG 4.46Å; L17-F67 HydrophobicContact CD2-CB 4.46Å; L17-F67 HydrophobicContact CD2-CD1 3.91Å; L17-F67 HydrophobicContact CD2-CD2 3.82Å; L17-F67 HydrophobicContact CD2-CE1 4.08Å; L17-F67 HydrophobicContact CD2-CE2 4Å; L17-F67 HydrophobicContact CD2-CG 3.78Å; L17-F67 HydrophobicContact CD2-CZ 4.14Å; L17-F71 HydrophobicContact CD1-CD1 4.44Å; L17-F71 HydrophobicContact CD2-CD1 3.69Å; L17-F71 HydrophobicContact CD2-CE1 3.62Å; L17-F71 HydrophobicContact CD2-CZ 4.43Å; L17-F71 HydrophobicContact CG-CD1 3.82Å; L17-F71 HydrophobicContact CG-CE1 4.1Å; L17-V111 HydrophobicContact CD2-CG2 4.45Å
18K97.2Very high89.8Confident124 Ų12476.8 Ų76.854%0.53940%0.397SS..Hα-helixtrans-61.9-41.2172-73.5175.8179.8-174.60112L14 Q15 R16 Y21 L22 L41L14-K18 WeakPolarHBondContact O-CB 3.44Å; L14-K18 VanDerWaalsContact O-CG 3.31Å; L14-K18 WeakPolarHBondContact O-CG 3.48Å; L14-K18 PolarHBondContact O-N 3.24Å; Q15-K18 PolarHBondContact O-N 3.3Å; R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 PolarHBondContact O-N 2.75Å; K18-Y21 WeakPolarHBondContact O-CB 3.49Å; K18-Y21 PolarHBondContact O-N 2.81Å; K18-L22 WeakPolarHBondContact O-CG 3.43Å; K18-L22 PolarHBondContact O-N 3.49Å; K18-L22 VanDerWaalsContact O-N 3.09Å; K18-L41 HydrophobicContact CG-CD1 4.21Å
19Q97.8Very high92Very high106 Ų10673 Ų7350%0.49537%0.374SS..Hα-helixtrans-65.2-41.5175.9-172.4-176.713.900111.7Q15 R16 L17 Y21 L22 R23Q15-Q19 PolarHBondContact O-N 3.35Å; R16-Q19 WeakPolarHBondContact O-CB 3.36Å; R16-Q19 PolarHBondContact O-N 3.17Å; L17-Q19 VanDerWaalsContact C-N 3.34Å; L17-Q19 PolarHBondContact O-N 3.02Å; Q19-Y21 VanDerWaalsContact C-N 3.29Å; Q19-Y21 PolarHBondContact O-N 3.03Å; Q19-L22 PolarHBondContact O-N 3.06Å; Q19-R23 PolarHBondContact O-N 3.19Å
20D98.5Very high94.3Very high0 Ų072.3 Ų72.30%038%0.376CS..Hα-helixtrans-65.1-34.8176.5-79.713000111.5R16 L17 R23 L24 S110 V111R16-D20 IonicContact CZ-OD1 3.74Å; R16-D20 IonicContact CZ-OD2 3.74Å; R16-D20 IonicContact NE-OD1 3.48Å; R16-D20 PolarHBondContact NE-OD1 3.36Å; R16-D20 IonicContact NE-OD2 3.4Å; R16-D20 PolarHBondContact NE-OD2 2.98Å; R16-D20 IonicContact NH2-OD1 2.78Å; R16-D20 IonicContact NH2-OD2 3.15Å; R16-D20 PolarHBondContact NH2-OD2 2.92Å; R16-D20 VanDerWaalsContact NH2-OD2 3.15Å; R16-D20 PolarHBondContact O-N 3.37Å; L17-D20 PolarHBondContact O-N 2.87Å; D20-R23 PolarHBondContact O-N 3.25Å; D20-R23 IonicContact OD1-NH1 2.89Å; D20-R23 PolarHBondContact OD1-NH1 3.35Å; D20-L24 WeakPolarHBondContact O-CB 3.1Å; D20-L24 PolarHBondContact O-N 2.93Å; D20-S110 VanDerWaalsContact OD2-CA 3.29Å; D20-S110 WeakPolarHBondContact OD2-CA 3.45Å; D20-V111 HydrophobicContact CB-CB 4.21Å; D20-V111 HydrophobicContact CB-CG2 3.71Å; D20-V111 PolarHBondContact OD2-N 3.05Å
21Y98.5Very high96.4Very high77 Ų7774.9 Ų74.930%0.30238%0.377SS..Hα-helixtrans-59.7-53.6171.2-173.1-104.3000111.7L17 K18 Q19 R23 L24 S25 E35 P36 W44L17-Y21 PolarHBondContact O-N 3.37Å; K18-Y21 WeakPolarHBondContact O-CB 3.49Å; K18-Y21 PolarHBondContact O-N 2.81Å; Q19-Y21 VanDerWaalsContact C-N 3.29Å; Q19-Y21 PolarHBondContact O-N 3.03Å; Y21-R23 PolarHBondContact O-N 2.87Å; Y21-L24 PolarHBondContact O-N 3.46Å; Y21-L24 VanDerWaalsContact O-N 3.08Å; Y21-S25 PolarHBondContact O-N 3.29Å; Y21-S25 PolarHBondContact O-OG 2.76Å; Y21-S25 VanDerWaalsContact O-OG 3.05Å; Y21-E35 WeakPolarHBondContact CE2-OE2 3.5Å; Y21-E35 PolarHBondContact OH-OE2 2.91Å; Y21-P36 HydrophobicContact CD2-CG 4.09Å; Y21-P36 HydrophobicContact CE2-CG 4.17Å; Y21-W44 AromaticContact CD2-CH2 3.7Å; Y21-W44 HydrophobicContact CD2-CH2 3.7Å; Y21-W44 HydrophobicContact CD2-CZ2 4.5Å; Y21-W44 AromaticContact CD2-CZ3 3.9Å; Y21-W44 HydrophobicContact CD2-CZ3 3.9Å; Y21-W44 HydrophobicContact CG-CH2 4.16Å
22L98.2Very high97.3Very high123 Ų12372.4 Ų72.464%0.64436%0.359SS*.Hα-helixtrans-58.2-37178.6-66175.2000112.3K18 Q19 K26K18-L22 WeakPolarHBondContact O-CG 3.43Å; K18-L22 PolarHBondContact O-N 3.49Å; K18-L22 VanDerWaalsContact O-N 3.09Å; Q19-L22 PolarHBondContact O-N 3.06Å; L22-K26 WeakPolarHBondContact O-CB 3.25Å; L22-K26 PolarHBondContact O-N 3.13Å; L22-K26 VanDerWaalsContact O-N 3.12Å
23R98.1Very high97.7Very high102 Ų10271.7 Ų71.739%0.38535%0.354SS..Hα-helixtrans-66.6-47175.6-171.8-178.4-67.5113.2-4.3111.3Q19 D20 Y21 S25 K26 D27Q19-R23 PolarHBondContact O-N 3.19Å; D20-R23 PolarHBondContact O-N 3.25Å; D20-R23 IonicContact OD1-NH1 2.89Å; D20-R23 PolarHBondContact OD1-NH1 3.35Å; Y21-R23 PolarHBondContact O-N 2.87Å; R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 PolarHBondContact O-N 3.15Å; R23-K26 PolarHBondContact O-N 3.4Å; R23-D27 PolarHBondContact O-N 2.9Å
24L98.3Very high97.9Very high11 Ų1171.9 Ų71.96%0.05836%0.356CS..Hα-helixtrans-63.3-38.3178.7-17865.1000112.1D20 Y21 K26 D27 P28 V29 A34 W44 S112 L115D20-L24 WeakPolarHBondContact O-CB 3.1Å; D20-L24 PolarHBondContact O-N 2.93Å; Y21-L24 PolarHBondContact O-N 3.46Å; Y21-L24 VanDerWaalsContact O-N 3.08Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-D27 CarbonylContact O-C 3.51Å; L24-D27 VanDerWaalsContact O-C 3.31Å; L24-P28 WeakPolarHBondContact O-CA 3.33Å; L24-V29 HydrophobicContact CD1-CG2 3.82Å; L24-A34 HydrophobicContact CD2-CB 3.93Å; L24-W44 HydrophobicContact CD2-CZ3 4.09Å; L24-S112 WeakPolarHBondContact CD1-OG 3.45Å; L24-L115 HydrophobicContact CD2-CD1 4.3Å
25S97.2Very high98Very high75 Ų7572.4 Ų72.452%0.52436%0.357SS..Hα-helixtrans-66.6-35.4175.3-52.50000112.3Y21 R23Y21-S25 PolarHBondContact O-N 3.29Å; Y21-S25 PolarHBondContact O-OG 2.76Å; Y21-S25 VanDerWaalsContact O-OG 3.05Å; R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 PolarHBondContact O-N 3.15Å
26K98Very high98.2Very high187 Ų18767.2 Ų67.281%0.81334%0.335SS*.Hα-helixtrans-76.3-38178.3-177.4178.2177.1-1780112.6L22 R23 L24L22-K26 WeakPolarHBondContact O-CB 3.25Å; L22-K26 PolarHBondContact O-N 3.13Å; L22-K26 VanDerWaalsContact O-N 3.12Å; R23-K26 PolarHBondContact O-N 3.4Å; L24-K26 VanDerWaalsContact C-N 3.33Å
27D97.9Very high98.2Very high115 Ų11566.4 Ų66.462%0.61533%0.333SS*.SBendtrans-133.385-176.3-172.527.1000109.6R23 L24R23-D27 PolarHBondContact O-N 2.9Å; L24-D27 CarbonylContact O-C 3.51Å; L24-D27 VanDerWaalsContact O-C 3.31Å
28P98.2Very high98.1Very high87 Ų8771 Ų7157%0.56536%0.363SS*.PPolyproline II helixtrans-71.6143.3-174.428.2-34.2000111.7L24 P30L24-P28 WeakPolarHBondContact O-CA 3.33Å; P28-P30 WeakPolarHBondContact O-CD 3.31Å
29V98.3Very high97.9Very high12 Ų1271.6 Ų71.67%0.07338%0.377CS..PPolyproline II helixtrans-73125.5176178.90000109.4L24 Y31 V32 S112 L115 T116L24-V29 HydrophobicContact CD1-CG2 3.82Å; V29-Y31 PolarHBondContact O-N 2.96Å; V29-V32 HydrophobicContact CB-CB 4.13Å; V29-V32 HydrophobicContact CG1-CB 3.97Å; V29-V32 HydrophobicContact CG1-CG2 3.91Å; V29-V32 PolarHBondContact O-N 2.73Å; V29-S112 WeakPolarHBondContact CG2-O 3.43Å; V29-L115 HydrophobicContact CG2-CB 4.44Å; V29-T116 WeakPolarHBondContact CG1-OG1 3.42Å
30P98Very high97.9Very high91 Ų9168.8 Ų68.859%0.59137%0.365SS*.THydrogen-bonded Turntrans-53.4136.7175.5-27.235.3000111.4P28 V32P28-P30 WeakPolarHBondContact O-CD 3.31Å; P30-V32 PolarHBondContact O-N 3.38Å; P30-V32 VanDerWaalsContact O-N 3.11Å
31Y98.3Very high97.8Very high123 Ų12371.2 Ų71.248%0.48238%0.378SS..THydrogen-bonded Turntrans65.3-1.3-177.6-51.8-80.6000116.3V29 I48 K49 P51 L119V29-Y31 PolarHBondContact O-N 2.96Å; Y31-I48 CarbonylContact O-C 3.57Å; Y31-I48 WeakPolarHBondContact O-CA 3.29Å; Y31-K49 WeakPolarHBondContact CB-O 3.36Å; Y31-K49 PolarHBondContact O-N 3.26Å; Y31-P51 HydrophobicContact CD1-CB 4.36Å; Y31-P51 HydrophobicContact CD1-CG 4.16Å; Y31-P51 HydrophobicContact CD2-CG 4.24Å; Y31-P51 HydrophobicContact CE1-CB 4.14Å; Y31-P51 HydrophobicContact CE1-CG 4.42Å; Y31-P51 HydrophobicContact CE2-CG 4.49Å; Y31-P51 HydrophobicContact CG-CG 4.08Å; Y31-L119 HydrophobicContact CD2-CD2 4.28Å
32V98.8Very high97.7Very high6 Ų667.8 Ų67.84%0.03637%0.365CS..EExtended strand (participates in β ladder)trans-127.7126.3-176.5-165.60000111.4V29 P30 V47 I48 L115 L119V29-V32 HydrophobicContact CB-CB 4.13Å; V29-V32 HydrophobicContact CG1-CB 3.97Å; V29-V32 HydrophobicContact CG1-CG2 3.91Å; V29-V32 PolarHBondContact O-N 2.73Å; P30-V32 PolarHBondContact O-N 3.38Å; P30-V32 VanDerWaalsContact O-N 3.11Å; V32-V47 WeakPolarHBondContact CA-O 3.32Å; V32-I48 HydrophobicContact CG1-CG1 4.2Å; V32-I48 HydrophobicContact CG2-CG1 4.05Å; V32-L115 HydrophobicContact CG1-CB 4.08Å; V32-L115 HydrophobicContact CG1-CD1 4.07Å; V32-L115 HydrophobicContact CG1-CD2 4.01Å; V32-L115 HydrophobicContact CG1-CG 4.27Å; V32-L119 HydrophobicContact CG2-CB 4.36Å; V32-L119 HydrophobicContact CG2-CD2 4.09Å
33T98.8Very high97.8Very high55 Ų5563.7 Ų63.734%0.33734%0.343SS..EExtended strand (participates in β ladder)trans-111.8138.9170-54.20000108.3Y46 V47 F160 I163T33-Y46 CarbonylContact O-C 3.51Å; T33-Y46 WeakPolarHBondContact O-CA 3.43Å; T33-Y46 WeakPolarHBondContact O-CB 3.43Å; T33-V47 PolarHBondContact N-O 3Å; T33-V47 PolarHBondContact O-N 2.99Å; T33-F160 HydrophobicContact CG2-CD1 4.08Å; T33-F160 HydrophobicContact CG2-CE1 4.21Å; T33-I163 HydrophobicContact CG2-CD1 4.43Å
34A98.9Very high97.8Very high5 Ų559 Ų594%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-143.8143.7177.300000112L24 W44 H45 L115L24-A34 HydrophobicContact CD2-CB 3.93Å; A34-W44 HydrophobicContact CB-CE3 4.44Å; A34-H45 CarbonylContact C-O 3.31Å; A34-H45 WeakPolarHBondContact CA-O 3.19Å; A34-H45 WeakPolarHBondContact CB-O 3.16Å; A34-L115 HydrophobicContact CB-CD1 3.6Å
35E98.7Very high97.8Very high55 Ų5558.6 Ų58.626%0.25732%0.323SS..EExtended strand (participates in β ladder)trans-138.3135.9-179.8-66.2-63.9159.700109.7Y21 W44 H45 L159 F160Y21-E35 WeakPolarHBondContact CE2-OE2 3.5Å; Y21-E35 PolarHBondContact OH-OE2 2.91Å; E35-W44 WeakPolarHBondContact O-CA 3.37Å; E35-H45 PolarHBondContact N-O 3.1Å; E35-H45 PolarHBondContact O-N 2.78Å; E35-L159 HydrophobicContact CB-CD2 4.47Å; E35-F160 HydrophobicContact CB-CE1 4.19Å; E35-F160 HydrophobicContact CG-CD1 4.41Å; E35-F160 HydrophobicContact CG-CE1 3.94Å
36P98.5Very high97.9Very high18 Ų1855.1 Ų55.112%0.11730%0.298CS..EExtended strand (participates in β ladder)trans-68.1154.9168.529.4-33000111.1Y21 L41 W44Y21-P36 HydrophobicContact CD2-CG 4.09Å; Y21-P36 HydrophobicContact CE2-CG 4.17Å; P36-L41 HydrophobicContact CB-CD2 3.73Å; P36-L41 HydrophobicContact CG-CD2 3.95Å; P36-W44 HydrophobicContact CB-CD2 3.9Å; P36-W44 HydrophobicContact CB-CG 4.05Å; P36-W44 HydrophobicContact CB-CZ2 4.25Å; P36-W44 HydrophobicContact CG-CZ2 4.42Å
37L98Very high97.9Very high21 Ų2146.2 Ų46.211%0.1126%0.259CS..EExtended strand (participates in β ladder)trans-65.9132.9166.1-67-178.1000110.5T39 N40 E43 I155 L159L37-T39 PolarHBondContact O-N 3.48Å; L37-T39 VanDerWaalsContact O-N 3.14Å; L37-N40 HydrophobicContact CB-CB 4.37Å; L37-N40 CarbonylContact O-C 3.43Å; L37-N40 VanDerWaalsContact O-C 3.3Å; L37-N40 PolarHBondContact O-N 3.05Å; L37-E43 HydrophobicContact CD1-CB 3.89Å; L37-E43 HydrophobicContact CD1-CG 3.7Å; L37-E43 HydrophobicContact CG-CB 4.31Å; L37-E43 HydrophobicContact CG-CG 4.21Å; L37-E43 PolarHBondContact N-O 3.36Å; L37-I155 HydrophobicContact CD2-CD1 3.7Å; L37-I155 HydrophobicContact CD2-CG1 4.02Å; L37-L159 HydrophobicContact CD2-CD1 3.73Å; L37-L159 HydrophobicContact CD2-CD2 4.39Å
38P95.1Very high98Very high98 Ų9840.7 Ų40.764%0.63623%0.23SC*.THydrogen-bonded Turntrans-55.8-33.5176.5-25.933.4000112.7
39T94.8Very high98Very high136 Ų13639.3 Ų39.383%0.83422%0.215SC*.THydrogen-bonded Turntrans-88.1-17-178.755.70000113.6L37L37-T39 PolarHBondContact O-N 3.48Å; L37-T39 VanDerWaalsContact O-N 3.14Å
40N96.3Very high98Very high47 Ų4739.2 Ų39.225%0.25122%0.216SC..EExtended strand (participates in β ladder)trans-152.495.6-176.1-178.720.1000112.3L37 F42 E43L37-N40 HydrophobicContact CB-CB 4.37Å; L37-N40 CarbonylContact O-C 3.43Å; L37-N40 VanDerWaalsContact O-C 3.3Å; L37-N40 PolarHBondContact O-N 3.05Å; N40-F42 PolarHBondContact O-N 3.34Å; N40-F42 WeakPolarHBondContact OD1-CB 3.33Å; N40-F42 PolarHBondContact OD1-N 2.99Å; N40-F42 VanDerWaalsContact OD1-N 3.16Å; N40-E43 PolarHBondContact O-N 2.89Å; N40-E43 VanDerWaalsContact O-O 3.12Å
41L95.9Very high98.1Very high51 Ų5135.1 Ų35.127%0.26719%0.19SC..EExtended strand (participates in β ladder)trans-63-9.2178-66-178.5000114.7L14 L17 K18 P36 W44L14-L41 HydrophobicContact CD2-CB 3.73Å; L14-L41 HydrophobicContact CD2-CD1 3.94Å; L14-L41 HydrophobicContact CD2-CG 4.38Å; L17-L41 WeakPolarHBondContact CD1-O 3.49Å; K18-L41 HydrophobicContact CG-CD1 4.21Å; P36-L41 HydrophobicContact CB-CD2 3.73Å; P36-L41 HydrophobicContact CG-CD2 3.95Å; L41-W44 VanDerWaalsContact O-CD1 3.23Å; L41-W44 PolarHBondContact O-NE1 2.94Å
42F98.1Very high97.9Very high6 Ų632.3 Ų32.33%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-90-4.2175.3-68.4-97.3000113.2A13 L14 L17 N40 V66 F67 P68A13-F42 HydrophobicContact CB-CE1 3.85Å; A13-F42 HydrophobicContact CB-CZ 3.96Å; L14-F42 HydrophobicContact CD1-CE2 4.44Å; L14-F42 HydrophobicContact CD2-CD2 3.85Å; L14-F42 HydrophobicContact CD2-CE2 3.24Å; L14-F42 HydrophobicContact CD2-CZ 3.9Å; L14-F42 HydrophobicContact CG-CE2 3.67Å; L14-F42 HydrophobicContact CG-CZ 3.96Å; L17-F42 HydrophobicContact CD1-CD1 3.86Å; L17-F42 HydrophobicContact CD1-CE1 4.02Å; L17-F42 HydrophobicContact CD1-CG 4.21Å; N40-F42 PolarHBondContact O-N 3.34Å; N40-F42 WeakPolarHBondContact OD1-CB 3.33Å; N40-F42 PolarHBondContact OD1-N 2.99Å; N40-F42 VanDerWaalsContact OD1-N 3.16Å; F42-V66 WeakPolarHBondContact O-CA 3.26Å; F42-F67 HydrophobicContact CB-CB 4.39Å; F42-F67 HydrophobicContact CD1-CB 4.05Å; F42-F67 WeakPolarHBondContact CD1-O 3.49Å; F42-F67 PolarHBondContact O-N 3.34Å; F42-P68 WeakPolarHBondContact CE1-O 3.48Å
43E98.7Very high97.7Very high37 Ų3739.1 Ų39.117%0.17323%0.228CC..EExtended strand (participates in β ladder)trans-118.5119.5171.1-178.6163.1-174.700108.6L37 N40 H45 K64 L65 V66L37-E43 HydrophobicContact CD1-CB 3.89Å; L37-E43 HydrophobicContact CD1-CG 3.7Å; L37-E43 HydrophobicContact CG-CB 4.31Å; L37-E43 HydrophobicContact CG-CG 4.21Å; L37-E43 PolarHBondContact N-O 3.36Å; N40-E43 PolarHBondContact O-N 2.89Å; N40-E43 VanDerWaalsContact O-O 3.12Å; E43-H45 IonicContact OE1-NE2 3.94Å; E43-K64 HydrophobicContact CG-CD 4.39Å; E43-K64 WeakPolarHBondContact OE1-CD 3.49Å; E43-K64 IonicContact OE1-NZ 2.89Å; E43-K64 PolarHBondContact OE1-NZ 3.5Å; E43-L65 WeakPolarHBondContact CA-O 3.13Å; E43-V66 HydrophobicContact CG-CG2 4.47Å
44W98.8Very high97.6Very high2 Ų237.3 Ų37.31%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-117.2136.4178.4-70.648.2000108.7L17 Y21 L24 A34 E35 P36 L41 K64 L65 F67 V111L17-W44 HydrophobicContact CB-CZ2 4.41Å; L17-W44 HydrophobicContact CD2-CZ2 4.43Å; Y21-W44 AromaticContact CD2-CH2 3.7Å; Y21-W44 HydrophobicContact CD2-CH2 3.7Å; Y21-W44 HydrophobicContact CD2-CZ2 4.5Å; Y21-W44 AromaticContact CD2-CZ3 3.9Å; Y21-W44 HydrophobicContact CD2-CZ3 3.9Å; Y21-W44 HydrophobicContact CG-CH2 4.16Å; L24-W44 HydrophobicContact CD2-CZ3 4.09Å; A34-W44 HydrophobicContact CB-CE3 4.44Å; E35-W44 WeakPolarHBondContact O-CA 3.37Å; P36-W44 HydrophobicContact CB-CD2 3.9Å; P36-W44 HydrophobicContact CB-CG 4.05Å; P36-W44 HydrophobicContact CB-CZ2 4.25Å; P36-W44 HydrophobicContact CG-CZ2 4.42Å; L41-W44 VanDerWaalsContact O-CD1 3.23Å; L41-W44 PolarHBondContact O-NE1 2.94Å; W44-K64 CarbonylContact O-C 3.59Å; W44-K64 WeakPolarHBondContact O-CA 3.33Å; W44-K64 WeakPolarHBondContact O-CB 3.41Å; W44-L65 HydrophobicContact CB-CB 4.39Å; W44-L65 PolarHBondContact N-O 3.09Å; W44-L65 PolarHBondContact O-N 3.18Å; W44-F67 HydrophobicContact CB-CE2 4.06Å; W44-F67 AromaticContact CD1-CD2 3.72Å; W44-F67 AromaticContact CD1-CE2 3.44Å; W44-F67 VanDerWaalsContact CD1-CE2 3.44Å; W44-F67 HydrophobicContact CD2-CE2 4.26Å; W44-F67 HydrophobicContact CG-CD2 4.37Å; W44-F67 AromaticContact CG-CE2 3.68Å; W44-F67 HydrophobicContact CG-CE2 3.68Å; W44-F67 AromaticContact NE1-CE2 3.87Å; W44-V111 HydrophobicContact CE3-CG1 3.97Å; W44-V111 HydrophobicContact CH2-CG2 4.29Å; W44-V111 HydrophobicContact CZ2-CG2 4.47Å; W44-V111 HydrophobicContact CZ3-CG1 3.92Å; W44-V111 HydrophobicContact CZ3-CG2 4.45Å
45H98.9Very high97.6Very high4 Ų439 Ų392%0.01923%0.228CC..EExtended strand (participates in β ladder)trans-97.8151.5168.5-72.3-102.1000109.6A34 E35 E43 H62 G63 I155 L159 F160A34-H45 CarbonylContact C-O 3.31Å; A34-H45 WeakPolarHBondContact CA-O 3.19Å; A34-H45 WeakPolarHBondContact CB-O 3.16Å; E35-H45 PolarHBondContact N-O 3.1Å; E35-H45 PolarHBondContact O-N 2.78Å; E43-H45 IonicContact OE1-NE2 3.94Å; H45-H62 AromaticContact CE1-CE1 3.97Å; H45-H62 AromaticContact CE1-NE2 3.9Å; H45-H62 AromaticContact CG-NE2 3.49Å; H45-H62 AromaticContact ND1-CD2 3.84Å; H45-H62 AromaticContact ND1-CE1 3.29Å; H45-H62 PolarHBondContact ND1-CE1 3.31Å; H45-H62 VanDerWaalsContact ND1-CE1 3.29Å; H45-H62 AromaticContact ND1-NE2 2.84Å; H45-H62 PolarHBondContact ND1-NE2 2.93Å; H45-G63 WeakPolarHBondContact CA-O 3.48Å; H45-I155 WeakPolarHBondContact NE2-CD1 3.44Å; H45-L159 HydrophobicContact CB-CD1 3.63Å; H45-F160 HydrophobicContact CB-CE2 3.9Å; H45-F160 HydrophobicContact CB-CZ 3.81Å
46Y98.9Very high97.6Very high1 Ų136.6 Ų36.60%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-139.8158.6173.762.6-95.7000110.7T33 I48 H62 G63 K64 L65 Y79 M80 L115 L118T33-Y46 CarbonylContact O-C 3.51Å; T33-Y46 WeakPolarHBondContact O-CA 3.43Å; T33-Y46 WeakPolarHBondContact O-CB 3.43Å; Y46-I48 HydrophobicContact CD2-CD1 4.48Å; Y46-I48 HydrophobicContact CD2-CG1 4.05Å; Y46-I48 HydrophobicContact CE2-CD1 4.13Å; Y46-I48 HydrophobicContact CE2-CG1 4.15Å; Y46-H62 CarbonylContact O-C 3.46Å; Y46-H62 VanDerWaalsContact O-CA 3.32Å; Y46-H62 WeakPolarHBondContact O-CA 3.37Å; Y46-H62 PolarHBondContact O-CD2 3.32Å; Y46-G63 VanDerWaalsContact CE1-C 3.45Å; Y46-G63 PolarHBondContact N-O 2.9Å; Y46-G63 PolarHBondContact O-N 3.43Å; Y46-K64 VanDerWaalsContact CE1-N 3.27Å; Y46-L65 HydrophobicContact CD1-CD2 4.3Å; Y46-L65 HydrophobicContact CD1-CG 3.95Å; Y46-L65 HydrophobicContact CE1-CD2 3.89Å; Y46-L65 HydrophobicContact CE1-CG 4Å; Y46-Y79 PolarHBondContact OH-O 2.69Å; Y46-M80 HydrophobicContact CE2-CE 3.46Å; Y46-M80 VanDerWaalsContact CE2-CE 3.46Å; Y46-M80 WeakPolarHBondContact OH-CE 3.41Å; Y46-L115 HydrophobicContact CD1-CD2 3.79Å; Y46-L115 HydrophobicContact CD2-CD2 4.25Å; Y46-L115 HydrophobicContact CG-CD2 3.65Å; Y46-L118 HydrophobicContact CD2-CD2 4.35Å; Y46-L118 HydrophobicContact CE1-CD2 4.01Å; Y46-L118 HydrophobicContact CE2-CD2 3.46Å; Y46-L118 VanDerWaalsContact CE2-CD2 3.46Å; Y46-L118 WeakPolarHBondContact OH-CD2 3.49Å
47V99Very high97.6Very high0 Ų042.3 Ų42.30%024%0.24CC..EExtended strand (participates in β ladder)trans-127.6118.6173.3-174.20000108.4V32 T33 Y61 F156 F160 I163V32-V47 WeakPolarHBondContact CA-O 3.32Å; T33-V47 PolarHBondContact N-O 3Å; T33-V47 PolarHBondContact O-N 2.99Å; V47-Y61 WeakPolarHBondContact CA-O 3.44Å; V47-F156 HydrophobicContact CG1-CE2 4.22Å; V47-F156 HydrophobicContact CG2-CD2 4.12Å; V47-F156 HydrophobicContact CG2-CE2 3.49Å; V47-F156 VanDerWaalsContact CG2-CE2 3.49Å; V47-F156 HydrophobicContact CG2-CZ 4.33Å; V47-F160 HydrophobicContact CG2-CD1 4.02Å; V47-F160 HydrophobicContact CG2-CD2 3.5Å; V47-F160 HydrophobicContact CG2-CE1 4.08Å; V47-F160 HydrophobicContact CG2-CE2 3.57Å; V47-F160 HydrophobicContact CG2-CG 3.74Å; V47-F160 HydrophobicContact CG2-CZ 3.87Å; V47-I163 HydrophobicContact CB-CD1 3.71Å; V47-I163 HydrophobicContact CG1-CD1 3.92Å; V47-I163 HydrophobicContact CG1-CG2 4.47Å; V47-I163 HydrophobicContact CG2-CD1 3.96Å
48I98.9Very high97.5Very high0 Ų043.8 Ų43.80%026%0.26CS..EExtended strand (participates in β ladder)trans-89.1124.3168-60.2176.5000108Y31 V32 Y46 Y61 M80 L118 L119 M122Y31-I48 CarbonylContact O-C 3.57Å; Y31-I48 WeakPolarHBondContact O-CA 3.29Å; V32-I48 HydrophobicContact CG1-CG1 4.2Å; V32-I48 HydrophobicContact CG2-CG1 4.05Å; Y46-I48 HydrophobicContact CD2-CD1 4.48Å; Y46-I48 HydrophobicContact CD2-CG1 4.05Å; Y46-I48 HydrophobicContact CE2-CD1 4.13Å; Y46-I48 HydrophobicContact CE2-CG1 4.15Å; I48-Y61 HydrophobicContact CB-CD2 4.43Å; I48-Y61 HydrophobicContact CG2-CD2 4.45Å; I48-Y61 PolarHBondContact N-O 3.06Å; I48-Y61 VanDerWaalsContact O-CD2 3.3Å; I48-Y61 WeakPolarHBondContact O-CD2 3.45Å; I48-Y61 PolarHBondContact O-N 3.38Å; I48-M80 HydrophobicContact CD1-CE 4.47Å; I48-L118 HydrophobicContact CD1-CD2 4.04Å; I48-L118 HydrophobicContact CD1-CG 4.1Å; I48-L119 HydrophobicContact CG2-CD1 3.72Å; I48-M122 HydrophobicContact CD1-SD 3.93Å; I48-M122 HydrophobicContact CG2-SD 4.19Å
49K98.8Very high97.7Very high57 Ų5739.2 Ų39.225%0.24823%0.231CC..EExtended strand (participates in β ladder)trans-87.3122.8166.3-63.4-173.3-173.7-1780108.3Y31 P51 G59 Y60 E166Y31-K49 WeakPolarHBondContact CB-O 3.36Å; Y31-K49 PolarHBondContact O-N 3.26Å; K49-P51 VanDerWaalsContact O-CD 3.27Å; K49-P51 WeakPolarHBondContact O-CD 3.43Å; K49-G59 WeakPolarHBondContact CA-O 3.31Å; K49-Y60 HydrophobicContact CD-CE1 4.33Å; K49-Y60 HydrophobicContact CG-CD1 4.18Å; K49-Y60 HydrophobicContact CG-CE1 4.27Å; K49-E166 IonicContact NZ-OE1 2.57Å; K49-E166 PolarHBondContact NZ-OE1 2.97Å; K49-E166 IonicContact NZ-OE2 3.92Å; K49-E166 PolarHBondContact NZ-OE2 3.39Å
50G98.6Very high97.9Very high10 Ų1033.5 Ų33.510%0.10319%0.194CC..PPolyproline II helixtrans-60.3120.5-17700000112.1Y56 G59G50-Y56 WeakPolarHBondContact CA-O 3.48Å; G50-G59 PolarHBondContact N-O 2.89Å
51P98.2Very high98Very high5 Ų531.2 Ų31.23%0.03218%0.182CC..PPolyproline II helixtrans-56.2149.7179.6-27.936.4000113Y31 K49 D53 S54 K57 L119 L123Y31-P51 HydrophobicContact CD1-CB 4.36Å; Y31-P51 HydrophobicContact CD1-CG 4.16Å; Y31-P51 HydrophobicContact CD2-CG 4.24Å; Y31-P51 HydrophobicContact CE1-CB 4.14Å; Y31-P51 HydrophobicContact CE1-CG 4.42Å; Y31-P51 HydrophobicContact CE2-CG 4.49Å; Y31-P51 HydrophobicContact CG-CG 4.08Å; K49-P51 VanDerWaalsContact O-CD 3.27Å; K49-P51 WeakPolarHBondContact O-CD 3.43Å; P51-D53 WeakPolarHBondContact CB-OD1 3.32Å; P51-D53 PolarHBondContact O-N 3.23Å; P51-S54 WeakPolarHBondContact O-CB 3.45Å; P51-S54 PolarHBondContact O-N 3.41Å; P51-S54 VanDerWaalsContact O-N 3.1Å; P51-S54 PolarHBondContact O-OG 2.94Å; P51-K57 WeakPolarHBondContact O-CA 3.32Å; P51-L119 HydrophobicContact CG-CD1 4.2Å; P51-L123 HydrophobicContact CG-CD1 4.27Å; P51-L123 HydrophobicContact CG-CD2 4.38Å
52A95Very high98.2Very high65 Ų6528.9 Ų28.954%0.53717%0.17SC..THydrogen-bonded Turntrans-67.2-22.9-170.400000114.4K57A52-K57 WeakPolarHBondContact O-CD 3.45Å
53D94.2Very high98.2Very high149 Ų14928.6 Ų28.680%0.79717%0.168SC*.THydrogen-bonded Turntrans-98.212178.560.3-25.8000112.8P51P51-D53 WeakPolarHBondContact CB-OD1 3.32Å; P51-D53 PolarHBondContact O-N 3.23Å
54S97.7Very high98.2Very high16 Ų1629.3 Ų29.311%0.11217%0.171CC..SBendtrans-112.6160.1-178.9810000112.4P51 Y56 K57P51-S54 WeakPolarHBondContact O-CB 3.45Å; P51-S54 PolarHBondContact O-N 3.41Å; P51-S54 VanDerWaalsContact O-N 3.1Å; P51-S54 PolarHBondContact O-OG 2.94Å; S54-Y56 PolarHBondContact O-N 3.01Å; S54-Y56 WeakPolarHBondContact OG-CB 3.38Å; S54-Y56 PolarHBondContact OG-N 2.99Å; S54-Y56 VanDerWaalsContact OG-N 3.16Å; S54-K57 WeakPolarHBondContact O-CB 3.49Å; S54-K57 PolarHBondContact O-N 2.89Å; S54-K57 PolarHBondContact OG-N 3.34Å
55P97.7Very high98.2Very high41 Ų4129.2 Ų29.227%0.26617%0.171SC..THydrogen-bonded Turntrans-64-9.7170.429.8-37.2000113.2T136 K139P55-T136 HydrophobicContact CB-CG2 4.07Å; P55-K139 HydrophobicContact CB-CB 4.2Å; P55-K139 HydrophobicContact CB-CD 4.16Å; P55-K139 HydrophobicContact CG-CD 4.01Å
56Y98.7Very high98.2Very high5 Ų531.1 Ų31.12%0.0218%0.182CC..THydrogen-bonded Turntrans-91.8-4.8-178.8-55-70.1000113.3G50 S54 G58 G59 Y61 N84 R86 M122 L123 K139G50-Y56 WeakPolarHBondContact CA-O 3.48Å; S54-Y56 PolarHBondContact O-N 3.01Å; S54-Y56 WeakPolarHBondContact OG-CB 3.38Å; S54-Y56 PolarHBondContact OG-N 2.99Å; S54-Y56 VanDerWaalsContact OG-N 3.16Å; Y56-G58 PolarHBondContact O-N 3.47Å; Y56-G59 WeakPolarHBondContact O-CA 3.3Å; Y56-G59 PolarHBondContact O-N 3.42Å; Y56-Y61 VanDerWaalsContact CA-OH 3.3Å; Y56-Y61 WeakPolarHBondContact CA-OH 3.46Å; Y56-Y61 WeakPolarHBondContact CB-OH 3.45Å; Y56-Y61 HydrophobicContact CD1-CE1 4.38Å; Y56-Y61 HydrophobicContact CD1-CE2 4.3Å; Y56-Y61 AromaticContact CD1-CZ 3.82Å; Y56-Y61 HydrophobicContact CG-CE2 4.33Å; Y56-Y61 PolarHBondContact O-OH 2.71Å; Y56-Y61 VanDerWaalsContact O-OH 3.04Å; Y56-N84 WeakPolarHBondContact CE1-O 3.3Å; Y56-R86 HydrophobicContact CE1-CB 4.32Å; Y56-R86 WeakPolarHBondContact OH-CB 3.28Å; Y56-M122 HydrophobicContact CD1-CE 3.58Å; Y56-M122 HydrophobicContact CD2-CE 4.33Å; Y56-M122 HydrophobicContact CE1-CE 3.76Å; Y56-M122 HydrophobicContact CE2-CG 4.17Å; Y56-M122 VanDerWaalsContact CE2-O 3.29Å; Y56-M122 WeakPolarHBondContact CE2-O 3.34Å; Y56-M122 HydrophobicContact CG-CE 3.89Å; Y56-M122 PolarHBondContact OH-O 3.26Å; Y56-L123 HydrophobicContact CD2-CD2 3.83Å; Y56-L123 HydrophobicContact CE2-CD2 4.14Å; Y56-K139 HydrophobicContact CE1-CB 4.37Å; Y56-K139 HydrophobicContact CE1-CD 3.87Å; Y56-K139 HydrophobicContact CE1-CG 4.16Å; Y56-K139 WeakPolarHBondContact OH-CE 3.29Å
57K98.4Very high98.2Very high138 Ų13831.4 Ų31.460%0.618%0.184SC*.THydrogen-bonded Turntrans-41.3128.8-178.3177.2-177.9-168.5167.80112.4P51 A52 S54 G59P51-K57 WeakPolarHBondContact O-CA 3.32Å; A52-K57 WeakPolarHBondContact O-CD 3.45Å; S54-K57 WeakPolarHBondContact O-CB 3.49Å; S54-K57 PolarHBondContact O-N 2.89Å; S54-K57 PolarHBondContact OG-N 3.34Å; K57-G59 PolarHBondContact O-N 2.96Å
58G97.6Very high98.1Very high52 Ų5233.1 Ų33.154%0.53619%0.194SC..THydrogen-bonded Turntrans77.30.5178.300000114.3Y56Y56-G58 PolarHBondContact O-N 3.47Å
59G98.8Very high98Very high1 Ų140.4 Ų40.41%0.0122%0.222CC..  trans-87.6153.6173.300000113.4K49 G50 Y56 K57 A143 S146K49-G59 WeakPolarHBondContact CA-O 3.31Å; G50-G59 PolarHBondContact N-O 2.89Å; Y56-G59 WeakPolarHBondContact O-CA 3.3Å; Y56-G59 PolarHBondContact O-N 3.42Å; K57-G59 PolarHBondContact O-N 2.96Å; G59-A143 WeakPolarHBondContact CA-O 3.4Å; G59-S146 VanDerWaalsContact CA-OG 3.24Å; G59-S146 WeakPolarHBondContact CA-OG 3.35Å
60Y98.9Very high97.7Very high16 Ų1639.7 Ų39.76%0.06322%0.221CC..EExtended strand (participates in β ladder)trans-121.4109177.5-60.1-90.4000108.8K49 S146 N150 I163 E166 I167 N170K49-Y60 HydrophobicContact CD-CE1 4.33Å; K49-Y60 HydrophobicContact CG-CD1 4.18Å; K49-Y60 HydrophobicContact CG-CE1 4.27Å; Y60-S146 PolarHBondContact N-OG 3.48Å; Y60-S146 WeakPolarHBondContact O-CB 3.07Å; Y60-N150 PolarHBondContact O-ND2 3.21Å; Y60-I163 HydrophobicContact CD1-CG2 3.57Å; Y60-I163 HydrophobicContact CE1-CG2 3.87Å; Y60-E166 VanDerWaalsContact CE1-OE1 3.32Å; Y60-E166 WeakPolarHBondContact CE1-OE1 3.49Å; Y60-E166 PolarHBondContact OH-OE1 3.3Å; Y60-I167 HydrophobicContact CD1-CD1 4.13Å; Y60-I167 HydrophobicContact CD1-CG1 4.01Å; Y60-I167 HydrophobicContact CD2-CD1 4.14Å; Y60-I167 HydrophobicContact CD2-CG1 3.76Å; Y60-I167 HydrophobicContact CE1-CG1 3.92Å; Y60-I167 HydrophobicContact CE2-CG1 3.67Å; Y60-I167 HydrophobicContact CG-CD1 3.93Å; Y60-I167 HydrophobicContact CG-CG1 3.93Å; Y60-N170 PolarHBondContact OH-ND2 2.98Å
61Y98.9Very high97.7Very high0 Ų039.2 Ų39.20%022%0.216CC..EExtended strand (participates in β ladder)trans-110.199.7-172-50.4-80.3000110.8V47 I48 Y56 T82 N84 M122 A143V47-Y61 WeakPolarHBondContact CA-O 3.44Å; I48-Y61 HydrophobicContact CB-CD2 4.43Å; I48-Y61 HydrophobicContact CG2-CD2 4.45Å; I48-Y61 PolarHBondContact N-O 3.06Å; I48-Y61 VanDerWaalsContact O-CD2 3.3Å; I48-Y61 WeakPolarHBondContact O-CD2 3.45Å; I48-Y61 PolarHBondContact O-N 3.38Å; Y56-Y61 VanDerWaalsContact CA-OH 3.3Å; Y56-Y61 WeakPolarHBondContact CA-OH 3.46Å; Y56-Y61 WeakPolarHBondContact CB-OH 3.45Å; Y56-Y61 HydrophobicContact CD1-CE1 4.38Å; Y56-Y61 HydrophobicContact CD1-CE2 4.3Å; Y56-Y61 AromaticContact CD1-CZ 3.82Å; Y56-Y61 HydrophobicContact CG-CE2 4.33Å; Y56-Y61 PolarHBondContact O-OH 2.71Å; Y56-Y61 VanDerWaalsContact O-OH 3.04Å; Y61-T82 HydrophobicContact CD1-CG2 4.41Å; Y61-N84 HydrophobicContact CD1-CB 3.49Å; Y61-N84 VanDerWaalsContact CD1-CB 3.49Å; Y61-N84 HydrophobicContact CE1-CB 3.71Å; Y61-N84 HydrophobicContact CG-CB 4.47Å; Y61-M122 HydrophobicContact CD1-CE 3.97Å; Y61-M122 HydrophobicContact CD2-CE 3.6Å; Y61-M122 HydrophobicContact CD2-SD 4.47Å; Y61-M122 HydrophobicContact CE1-CE 4.16Å; Y61-M122 HydrophobicContact CE2-CE 3.86Å; Y61-M122 HydrophobicContact CG-CE 3.68Å; Y61-A143 VanDerWaalsContact OH-CB 3.27Å; Y61-A143 WeakPolarHBondContact OH-CB 3.11Å
62H98.9Very high97.6Very high2 Ų239.8 Ų39.81%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-74.6134.4173.8-175.5-147.4000110.2H45 Y46 I81 T82 F156 F160H45-H62 AromaticContact CE1-CE1 3.97Å; H45-H62 AromaticContact CE1-NE2 3.9Å; H45-H62 AromaticContact CG-NE2 3.49Å; H45-H62 AromaticContact ND1-CD2 3.84Å; H45-H62 AromaticContact ND1-CE1 3.29Å; H45-H62 PolarHBondContact ND1-CE1 3.31Å; H45-H62 VanDerWaalsContact ND1-CE1 3.29Å; H45-H62 AromaticContact ND1-NE2 2.84Å; H45-H62 PolarHBondContact ND1-NE2 2.93Å; Y46-H62 CarbonylContact O-C 3.46Å; Y46-H62 VanDerWaalsContact O-CA 3.32Å; Y46-H62 WeakPolarHBondContact O-CA 3.37Å; Y46-H62 PolarHBondContact O-CD2 3.32Å; H62-I81 WeakPolarHBondContact O-CA 3.14Å; H62-I81 WeakPolarHBondContact O-CB 2.99Å; H62-I81 PolarHBondContact O-N 2.94Å; H62-T82 WeakPolarHBondContact CA-OG1 3.45Å; H62-T82 VanDerWaalsContact CB-OG1 3.29Å; H62-T82 WeakPolarHBondContact CB-OG1 3.23Å; H62-T82 PolarHBondContact N-OG1 2.98Å; H62-T82 PolarHBondContact O-N 3Å; H62-F156 HydrophobicContact CB-CD2 3.86Å; H62-F156 HydrophobicContact CB-CE2 4.17Å; H62-F156 AromaticContact CD2-CD2 3.96Å; H62-F156 AromaticContact CG-CD2 3.76Å; H62-F160 AromaticContact CD2-CE2 3.92Å; H62-F160 AromaticContact NE2-CE2 3.88Å
63G98.9Very high97.6Very high0 Ų043.8 Ų43.80%023%0.225CC..EExtended strand (participates in β ladder)trans-149.6-175.5172.400000110.9H45 Y46 Y79H45-G63 WeakPolarHBondContact CA-O 3.48Å; Y46-G63 VanDerWaalsContact CE1-C 3.45Å; Y46-G63 PolarHBondContact N-O 2.9Å; Y46-G63 PolarHBondContact O-N 3.43Å; G63-Y79 CarbonylContact C-O 3.48Å; G63-Y79 WeakPolarHBondContact CA-O 3.44Å
64K98.9Very high97.7Very high52 Ų5243.4 Ų43.423%0.22621%0.213CC..EExtended strand (participates in β ladder)trans-143152.3176.764.8175.7-175.2179.20114E43 W44 Y46 V66 Y79 I81E43-K64 HydrophobicContact CG-CD 4.39Å; E43-K64 WeakPolarHBondContact OE1-CD 3.49Å; E43-K64 IonicContact OE1-NZ 2.89Å; E43-K64 PolarHBondContact OE1-NZ 3.5Å; W44-K64 CarbonylContact O-C 3.59Å; W44-K64 WeakPolarHBondContact O-CA 3.33Å; W44-K64 WeakPolarHBondContact O-CB 3.41Å; Y46-K64 VanDerWaalsContact CE1-N 3.27Å; K64-V66 HydrophobicContact CD-CG2 4.37Å; K64-Y79 HydrophobicContact CG-CD2 3.99Å; K64-Y79 HydrophobicContact CG-CG 4.23Å; K64-Y79 PolarHBondContact N-O 2.91Å; K64-Y79 PolarHBondContact O-N 2.89Å; K64-I81 HydrophobicContact CG-CD1 4.46Å
65L98.9Very high97.7Very high0 Ų042.9 Ų42.90%021%0.209CC..EExtended strand (participates in β ladder)trans-109.9131.5169.3-55.1178.1000107.7E43 W44 Y46 F67 P76 S77 I78 V111 I114 L115E43-L65 WeakPolarHBondContact CA-O 3.13Å; W44-L65 HydrophobicContact CB-CB 4.39Å; W44-L65 PolarHBondContact N-O 3.09Å; W44-L65 PolarHBondContact O-N 3.18Å; Y46-L65 HydrophobicContact CD1-CD2 4.3Å; Y46-L65 HydrophobicContact CD1-CG 3.95Å; Y46-L65 HydrophobicContact CE1-CD2 3.89Å; Y46-L65 HydrophobicContact CE1-CG 4Å; L65-F67 HydrophobicContact CB-CD2 4.42Å; L65-F67 HydrophobicContact CB-CE2 3.69Å; L65-F67 HydrophobicContact CB-CZ 3.88Å; L65-F67 HydrophobicContact CD1-CE2 4.2Å; L65-F67 HydrophobicContact CD1-CZ 3.73Å; L65-F67 HydrophobicContact CG-CZ 4.46Å; L65-P76 HydrophobicContact CB-CB 4.45Å; L65-S77 WeakPolarHBondContact CA-O 3.48Å; L65-I78 HydrophobicContact CD2-CB 4.2Å; L65-I78 HydrophobicContact CD2-CD1 4.4Å; L65-I78 HydrophobicContact CD2-CG1 3.79Å; L65-I78 HydrophobicContact CD2-CG2 3.9Å; L65-V111 HydrophobicContact CD1-CG1 4.17Å; L65-I114 HydrophobicContact CD1-CG2 3.99Å; L65-I114 HydrophobicContact CD2-CG2 3.89Å; L65-L115 HydrophobicContact CD1-CD2 4.05Å; L65-L115 HydrophobicContact CD1-CG 4.48Å
66V98.8Very high97.7Very high44 Ų4441 Ų4127%0.26720%0.196SC..EExtended strand (participates in β ladder)trans-116.6109.4172.8-1770000108.4F42 E43 K64 P76 S77 Y79F42-V66 WeakPolarHBondContact O-CA 3.26Å; E43-V66 HydrophobicContact CG-CG2 4.47Å; K64-V66 HydrophobicContact CD-CG2 4.37Å; V66-P76 VanDerWaalsContact O-CA 3.32Å; V66-P76 WeakPolarHBondContact O-CA 3.49Å; V66-S77 WeakPolarHBondContact CB-OG 3.41Å; V66-S77 PolarHBondContact N-O 2.79Å; V66-S77 PolarHBondContact O-N 3.17Å; V66-S77 PolarHBondContact O-OG 3.35Å; V66-Y79 HydrophobicContact CB-CE2 4.43Å; V66-Y79 HydrophobicContact CG2-CD2 4.39Å; V66-Y79 HydrophobicContact CG2-CE2 3.97Å
67F98.5Very high97.8Very high7 Ų741.3 Ų41.33%0.03120%0.2CC..  trans-85.4136-176.9-64.6-82.5000111L17 F42 W44 L65 F71 P76 V111 I114L17-F67 HydrophobicContact CD1-CB 4.3Å; L17-F67 HydrophobicContact CD1-CG 4.46Å; L17-F67 HydrophobicContact CD2-CB 4.46Å; L17-F67 HydrophobicContact CD2-CD1 3.91Å; L17-F67 HydrophobicContact CD2-CD2 3.82Å; L17-F67 HydrophobicContact CD2-CE1 4.08Å; L17-F67 HydrophobicContact CD2-CE2 4Å; L17-F67 HydrophobicContact CD2-CG 3.78Å; L17-F67 HydrophobicContact CD2-CZ 4.14Å; F42-F67 HydrophobicContact CB-CB 4.39Å; F42-F67 HydrophobicContact CD1-CB 4.05Å; F42-F67 WeakPolarHBondContact CD1-O 3.49Å; F42-F67 PolarHBondContact O-N 3.34Å; W44-F67 HydrophobicContact CB-CE2 4.06Å; W44-F67 AromaticContact CD1-CD2 3.72Å; W44-F67 AromaticContact CD1-CE2 3.44Å; W44-F67 VanDerWaalsContact CD1-CE2 3.44Å; W44-F67 HydrophobicContact CD2-CE2 4.26Å; W44-F67 HydrophobicContact CG-CD2 4.37Å; W44-F67 AromaticContact CG-CE2 3.68Å; W44-F67 HydrophobicContact CG-CE2 3.68Å; W44-F67 AromaticContact NE1-CE2 3.87Å; L65-F67 HydrophobicContact CB-CD2 4.42Å; L65-F67 HydrophobicContact CB-CE2 3.69Å; L65-F67 HydrophobicContact CB-CZ 3.88Å; L65-F67 HydrophobicContact CD1-CE2 4.2Å; L65-F67 HydrophobicContact CD1-CZ 3.73Å; L65-F67 HydrophobicContact CG-CZ 4.46Å; F67-F71 HydrophobicContact CB-CB 4.36Å; F67-F71 HydrophobicContact CB-CG 4.46Å; F67-F71 HydrophobicContact CD1-CD1 4.22Å; F67-F71 AromaticContact CD1-CD2 3.5Å; F67-F71 HydrophobicContact CD1-CD2 3.5Å; F67-F71 HydrophobicContact CD1-CE1 4.28Å; F67-F71 AromaticContact CD1-CE2 3.6Å; F67-F71 HydrophobicContact CD1-CE2 3.6Å; F67-F71 AromaticContact CD1-CG 3.84Å; F67-F71 HydrophobicContact CD1-CG 3.84Å; F67-F71 AromaticContact CD1-CZ 4Å; F67-F71 HydrophobicContact CD1-CZ 4Å; F67-F71 HydrophobicContact CE1-CD2 4.12Å; F67-F71 HydrophobicContact CE1-CE1 4.39Å; F67-F71 AromaticContact CE1-CE2 3.71Å; F67-F71 HydrophobicContact CE1-CE2 3.71Å; F67-F71 AromaticContact CE1-CZ 3.86Å; F67-F71 HydrophobicContact CE1-CZ 3.86Å; F67-P76 HydrophobicContact CD1-CB 3.68Å; F67-P76 HydrophobicContact CD1-CG 4.2Å; F67-P76 HydrophobicContact CE1-CB 3.77Å; F67-P76 HydrophobicContact CE1-CG 3.88Å; F67-P76 HydrophobicContact CG-CB 4.25Å; F67-P76 HydrophobicContact CZ-CB 4.39Å; F67-V111 HydrophobicContact CE1-CG2 4.19Å; F67-V111 HydrophobicContact CZ-CG2 3.71Å; F67-I114 HydrophobicContact CE1-CD1 3.96Å; F67-I114 HydrophobicContact CZ-CD1 4.47Å
68P96.9Very high97.8Very high35 Ų3534.8 Ų34.823%0.22717%0.171CC..  trans-74.1161.5173.734.2-37000111F42 D70 F71 R74 P75F42-P68 WeakPolarHBondContact CE1-O 3.48Å; P68-D70 WeakPolarHBondContact CB-OD1 3.31Å; P68-D70 PolarHBondContact O-N 3.46Å; P68-F71 HydrophobicContact CG-CB 4.42Å; P68-F71 VanDerWaalsContact O-CB 3.32Å; P68-F71 WeakPolarHBondContact O-CB 3.23Å; P68-F71 PolarHBondContact O-N 2.94Å; P68-R74 HydrophobicContact CG-CB 3.7Å; P68-P75 VanDerWaalsContact CD-O 3.29Å; P68-P75 WeakPolarHBondContact CD-O 3.49Å; P68-P75 WeakPolarHBondContact CG-O 3.41Å
69R95.5Very high97.8Very high153 Ų15334.5 Ų34.558%0.57715%0.154SC*.THydrogen-bonded Turntrans-66.3-18-177.8-64-61.6-173-166-2.7114A13A13-R69 WeakPolarHBondContact CB-O 3.49Å
70D94.4Very high97.8Very high42 Ų4234.5 Ų34.523%0.22515%0.154CC..THydrogen-bonded Turntrans-102.516.9175.661-19.4000112.8P68 F73 R74P68-D70 WeakPolarHBondContact CB-OD1 3.31Å; P68-D70 PolarHBondContact O-N 3.46Å; D70-F73 WeakPolarHBondContact O-CA 3.43Å; D70-F73 WeakPolarHBondContact O-CB 3.47Å; D70-F73 WeakPolarHBondContact O-CD2 3.39Å; D70-F73 PolarHBondContact O-N 2.93Å; D70-R74 VanDerWaalsContact CG-NH1 3.34Å; D70-R74 IonicContact OD1-NH1 3.35Å; D70-R74 PolarHBondContact OD1-NH1 2.96Å; D70-R74 WeakPolarHBondContact OD2-CG 3.41Å; D70-R74 IonicContact OD2-CZ 2.81Å; D70-R74 IonicContact OD2-NE 3.24Å; D70-R74 PolarHBondContact OD2-NE 3.33Å; D70-R74 IonicContact OD2-NH1 2.66Å; D70-R74 PolarHBondContact OD2-NH1 3.11Å; D70-R74 IonicContact OD2-NH2 3.3Å; D70-R74 PolarHBondContact OD2-NH2 2.85Å
71F96.9Very high97.8Very high1 Ų135.1 Ų35.10%0.00416%0.158CC..THydrogen-bonded Turntrans-54.2132.8164.7-174-99.2000109.5A13 R16 L17 F67 P68 R74 W105A13-F71 VanDerWaalsContact CA-O 3.25Å; A13-F71 WeakPolarHBondContact CA-O 3.4Å; A13-F71 WeakPolarHBondContact CB-O 3.49Å; R16-F71 HydrophobicContact CG-CD1 3.98Å; R16-F71 HydrophobicContact CG-CE1 3.73Å; L17-F71 HydrophobicContact CD1-CD1 4.44Å; L17-F71 HydrophobicContact CD2-CD1 3.69Å; L17-F71 HydrophobicContact CD2-CE1 3.62Å; L17-F71 HydrophobicContact CD2-CZ 4.43Å; L17-F71 HydrophobicContact CG-CD1 3.82Å; L17-F71 HydrophobicContact CG-CE1 4.1Å; F67-F71 HydrophobicContact CB-CB 4.36Å; F67-F71 HydrophobicContact CB-CG 4.46Å; F67-F71 HydrophobicContact CD1-CD1 4.22Å; F67-F71 AromaticContact CD1-CD2 3.5Å; F67-F71 HydrophobicContact CD1-CD2 3.5Å; F67-F71 HydrophobicContact CD1-CE1 4.28Å; F67-F71 AromaticContact CD1-CE2 3.6Å; F67-F71 HydrophobicContact CD1-CE2 3.6Å; F67-F71 AromaticContact CD1-CG 3.84Å; F67-F71 HydrophobicContact CD1-CG 3.84Å; F67-F71 AromaticContact CD1-CZ 4Å; F67-F71 HydrophobicContact CD1-CZ 4Å; F67-F71 HydrophobicContact CE1-CD2 4.12Å; F67-F71 HydrophobicContact CE1-CE1 4.39Å; F67-F71 AromaticContact CE1-CE2 3.71Å; F67-F71 HydrophobicContact CE1-CE2 3.71Å; F67-F71 AromaticContact CE1-CZ 3.86Å; F67-F71 HydrophobicContact CE1-CZ 3.86Å; P68-F71 HydrophobicContact CG-CB 4.42Å; P68-F71 VanDerWaalsContact O-CB 3.32Å; P68-F71 WeakPolarHBondContact O-CB 3.23Å; P68-F71 PolarHBondContact O-N 2.94Å; F71-R74 WeakPolarHBondContact CD2-O 3.48Å; F71-W105 HydrophobicContact CD2-CZ2 4.42Å; F71-W105 HydrophobicContact CE2-CH2 4.11Å; F71-W105 AromaticContact CE2-CZ2 3.74Å; F71-W105 HydrophobicContact CE2-CZ2 3.74Å
72P96.1Very high97.8Very high17 Ų1735.1 Ų35.111%0.1116%0.158CC..THydrogen-bonded Turncis-96.912.414.740.3-38.2000115.3R16 R74 W105 P107R16-P72 HydrophobicContact CG-CB 4.13Å; R16-P72 HydrophobicContact CG-CG 4.05Å; P72-R74 VanDerWaalsContact C-N 3.3Å; P72-R74 PolarHBondContact O-N 2.91Å; P72-W105 PolarHBondContact O-NE1 2.76Å; P72-P107 HydrophobicContact CB-CB 4.41Å; P72-P107 HydrophobicContact CG-CB 4.48Å; P72-P107 VanDerWaalsContact O-CA 3.29Å; P72-P107 WeakPolarHBondContact O-CA 3.31Å; P72-P107 VanDerWaalsContact O-CB 3.3Å; P72-P107 WeakPolarHBondContact O-CB 3.45Å
73F95.7Very high97.8Very high149 Ų14937 Ų3765%0.65417%0.17SC*.SBendtrans-76-20.1-178.4-56.5-69.2000113.2D70D70-F73 WeakPolarHBondContact O-CA 3.43Å; D70-F73 WeakPolarHBondContact O-CB 3.47Å; D70-F73 WeakPolarHBondContact O-CD2 3.39Å; D70-F73 PolarHBondContact O-N 2.93Å
74R96.5Very high97.8Very high141 Ų14137 Ų3753%0.53217%0.171SC..SBendtrans-122.6146.5168.2-69.1-163.4-161.2113.58.1111.7P68 D70 F71 P72P68-R74 HydrophobicContact CG-CB 3.7Å; D70-R74 VanDerWaalsContact CG-NH1 3.34Å; D70-R74 IonicContact OD1-NH1 3.35Å; D70-R74 PolarHBondContact OD1-NH1 2.96Å; D70-R74 WeakPolarHBondContact OD2-CG 3.41Å; D70-R74 IonicContact OD2-CZ 2.81Å; D70-R74 IonicContact OD2-NE 3.24Å; D70-R74 PolarHBondContact OD2-NE 3.33Å; D70-R74 IonicContact OD2-NH1 2.66Å; D70-R74 PolarHBondContact OD2-NH1 3.11Å; D70-R74 IonicContact OD2-NH2 3.3Å; D70-R74 PolarHBondContact OD2-NH2 2.85Å; F71-R74 WeakPolarHBondContact CD2-O 3.48Å; P72-R74 VanDerWaalsContact C-N 3.3Å; P72-R74 PolarHBondContact O-N 2.91Å
75P97.9Very high97.7Very high5 Ų534.8 Ų34.83%0.03216%0.162CC..PPolyproline II helixtrans-66.3161.2176.829.6-39.8000113P68 S98 D99 W105P68-P75 VanDerWaalsContact CD-O 3.29Å; P68-P75 WeakPolarHBondContact CD-O 3.49Å; P68-P75 WeakPolarHBondContact CG-O 3.41Å; P75-S98 WeakPolarHBondContact CG-O 3.41Å; P75-D99 VanDerWaalsContact CG-CA 3.5Å; P75-D99 HydrophobicContact CG-CB 4.31Å; P75-W105 HydrophobicContact CB-CB 4.31Å; P75-W105 HydrophobicContact CB-CD2 3.54Å; P75-W105 HydrophobicContact CB-CE3 3.42Å; P75-W105 VanDerWaalsContact CB-CE3 3.42Å; P75-W105 HydrophobicContact CB-CG 3.93Å; P75-W105 HydrophobicContact CB-CZ3 3.96Å; P75-W105 HydrophobicContact CG-CB 4.21Å; P75-W105 HydrophobicContact CG-CD2 4.3Å; P75-W105 HydrophobicContact CG-CE3 4.49Å; P75-W105 HydrophobicContact CG-CG 4.15Å
76P98.6Very high97.7Very high0 Ų035.2 Ų35.20%016%0.164CC..PPolyproline II helixtrans-76.6160.2168.333.3-34.2000112.4L65 V66 F67 S98 D99 I114L65-P76 HydrophobicContact CB-CB 4.45Å; V66-P76 VanDerWaalsContact O-CA 3.32Å; V66-P76 WeakPolarHBondContact O-CA 3.49Å; F67-P76 HydrophobicContact CD1-CB 3.68Å; F67-P76 HydrophobicContact CD1-CG 4.2Å; F67-P76 HydrophobicContact CE1-CB 3.77Å; F67-P76 HydrophobicContact CE1-CG 3.88Å; F67-P76 HydrophobicContact CG-CB 4.25Å; F67-P76 HydrophobicContact CZ-CB 4.39Å; P76-S98 WeakPolarHBondContact O-CA 3.18Å; P76-D99 PolarHBondContact O-N 3.23Å; P76-I114 HydrophobicContact CG-CD1 3.76Å; P76-I114 HydrophobicContact CG-CG1 4.43Å; P76-I114 HydrophobicContact CG-CG2 4.22Å
77S98.7Very high97.7Very high13 Ų1333.3 Ų33.39%0.09115%0.152CC..EExtended strand (participates in β ladder)trans-85.6143.3158.351.50000110L65 V66 Y79 D99L65-S77 WeakPolarHBondContact CA-O 3.48Å; V66-S77 WeakPolarHBondContact CB-OG 3.41Å; V66-S77 PolarHBondContact N-O 2.79Å; V66-S77 PolarHBondContact O-N 3.17Å; V66-S77 PolarHBondContact O-OG 3.35Å; S77-Y79 WeakPolarHBondContact OG-CE2 3.42Å; S77-D99 WeakPolarHBondContact CA-OD1 3.4Å
78I98.8Very high97.6Very high0 Ų034.3 Ų34.30%016%0.162CC..EExtended strand (participates in β ladder)trans-121.7134.3-170.8-51-179.5000109.1L65 L93 L95 I97 I114 L118L65-I78 HydrophobicContact CD2-CB 4.2Å; L65-I78 HydrophobicContact CD2-CD1 4.4Å; L65-I78 HydrophobicContact CD2-CG1 3.79Å; L65-I78 HydrophobicContact CD2-CG2 3.9Å; I78-L93 HydrophobicContact CB-CB 4.4Å; I78-L93 HydrophobicContact CG2-CD1 4.25Å; I78-L93 WeakPolarHBondContact O-CG 3.48Å; I78-L93 PolarHBondContact O-N 3.23Å; I78-L95 HydrophobicContact CD1-CD1 4.03Å; I78-I97 HydrophobicContact CD1-CD1 4.09Å; I78-I97 HydrophobicContact CD1-CG1 4.1Å; I78-I114 HydrophobicContact CD1-CG2 4.02Å; I78-L118 HydrophobicContact CG2-CD1 4.05Å; I78-L118 HydrophobicContact CG2-CD2 3.93Å
79Y98.8Very high97.7Very high47 Ų4735 Ų3518%0.18417%0.166CC..EExtended strand (participates in β ladder)trans-137.4142-177.4-57-98.5000111.3Y46 G63 K64 V66 S77 R92Y46-Y79 PolarHBondContact OH-O 2.69Å; G63-Y79 CarbonylContact C-O 3.48Å; G63-Y79 WeakPolarHBondContact CA-O 3.44Å; K64-Y79 HydrophobicContact CG-CD2 3.99Å; K64-Y79 HydrophobicContact CG-CG 4.23Å; K64-Y79 PolarHBondContact N-O 2.91Å; K64-Y79 PolarHBondContact O-N 2.89Å; V66-Y79 HydrophobicContact CB-CE2 4.43Å; V66-Y79 HydrophobicContact CG2-CD2 4.39Å; V66-Y79 HydrophobicContact CG2-CE2 3.97Å; S77-Y79 WeakPolarHBondContact OG-CE2 3.42Å; Y79-R92 HydrophobicContact CD1-CG 4.4Å; Y79-R92 HydrophobicContact CE1-CB 4.32Å; Y79-R92 HydrophobicContact CE1-CG 3.46Å; Y79-R92 VanDerWaalsContact CE1-CG 3.46Å; Y79-R92 HydrophobicContact CE2-CG 4.37Å; Y79-R92 VanDerWaalsContact CZ-CG 3.44Å; Y79-R92 VanDerWaalsContact OH-CG 3.23Å; Y79-R92 WeakPolarHBondContact OH-CG 3.12Å
80M98.8Very high97.9Very high0 Ų032.4 Ų32.40%016%0.164CC..EExtended strand (participates in β ladder)trans-101.8132.6163.4-160.7110.5-50.300110.3Y46 I48 N84 F87 C89 N90 L118Y46-M80 HydrophobicContact CE2-CE 3.46Å; Y46-M80 VanDerWaalsContact CE2-CE 3.46Å; Y46-M80 WeakPolarHBondContact OH-CE 3.41Å; I48-M80 HydrophobicContact CD1-CE 4.47Å; M80-N84 WeakPolarHBondContact CG-ND2 3.14Å; M80-F87 HydrophobicContact CB-CB 4.21Å; M80-F87 HydrophobicContact CB-CD2 4.46Å; M80-F87 HydrophobicContact SD-CD2 4.21Å; M80-C89 CarbonylContact O-C 3.48Å; M80-C89 VanDerWaalsContact O-CA 3.3Å; M80-C89 WeakPolarHBondContact O-CA 3.38Å; M80-N90 PolarHBondContact O-N 2.81Å; M80-L118 HydrophobicContact CE-CD2 4.34Å
81I98.9Very high98Very high29 Ų2933 Ų3315%0.14917%0.17CC..  trans-96-49.4177.8-61.5163.1000109.4H62 K64 C89 N90 F149H62-I81 WeakPolarHBondContact O-CA 3.14Å; H62-I81 WeakPolarHBondContact O-CB 2.99Å; H62-I81 PolarHBondContact O-N 2.94Å; K64-I81 HydrophobicContact CG-CD1 4.46Å; I81-C89 PolarHBondContact O-SG 2.94Å; I81-N90 WeakPolarHBondContact CG1-OD1 3.48Å; I81-F149 HydrophobicContact CG2-CE1 4.44Å
82T98.9Very high98.1Very high0 Ų038.6 Ų38.60%019%0.191CC..SBendtrans-67.7132.8-178.1-48.30000111.6Y61 H62 N84 F149 N150Y61-T82 HydrophobicContact CD1-CG2 4.41Å; H62-T82 WeakPolarHBondContact CA-OG1 3.45Å; H62-T82 VanDerWaalsContact CB-OG1 3.29Å; H62-T82 WeakPolarHBondContact CB-OG1 3.23Å; H62-T82 PolarHBondContact N-OG1 2.98Å; H62-T82 PolarHBondContact O-N 3Å; T82-N84 PolarHBondContact O-N 3.16Å; T82-N84 PolarHBondContact O-ND2 3.34Å; T82-F149 HydrophobicContact CG2-CD1 3.96Å; T82-N150 PolarHBondContact OG1-OD1 3.41Å
83P98.8Very high98.2Very high41 Ų4137.8 Ų37.827%0.26619%0.185SC..  trans-53.7123168.5-28.837.4000111.9C89 L142 F149P83-C89 VanDerWaalsContact CA-SG 3.59Å; P83-L142 HydrophobicContact CB-CD2 3.86Å; P83-F149 HydrophobicContact CG-CD2 4.28Å; P83-F149 HydrophobicContact CG-CE2 4.03Å; P83-F149 HydrophobicContact CG-CZ 4.26Å
84N98.5Very high98.3Very high1 Ų131.4 Ų31.41%0.00516%0.159CC..  trans-136-17.2-167.96381.3000113.5Y56 Y61 M80 T82 R86 F87 M122Y56-N84 WeakPolarHBondContact CE1-O 3.3Å; Y61-N84 HydrophobicContact CD1-CB 3.49Å; Y61-N84 VanDerWaalsContact CD1-CB 3.49Å; Y61-N84 HydrophobicContact CE1-CB 3.71Å; Y61-N84 HydrophobicContact CG-CB 4.47Å; M80-N84 WeakPolarHBondContact CG-ND2 3.14Å; T82-N84 PolarHBondContact O-N 3.16Å; T82-N84 PolarHBondContact O-ND2 3.34Å; N84-R86 PolarHBondContact O-N 3.29Å; N84-R86 VanDerWaalsContact OD1-CA 3.31Å; N84-R86 WeakPolarHBondContact OD1-CA 3.35Å; N84-R86 VanDerWaalsContact OD1-CB 3.25Å; N84-R86 WeakPolarHBondContact OD1-CB 3.13Å; N84-R86 PolarHBondContact OD1-N 3.15Å; N84-F87 PolarHBondContact ND2-O 3.37Å; N84-F87 PolarHBondContact OD1-N 2.83Å; N84-M122 HydrophobicContact CB-CE 4.21Å
85G97.7Very high98.1Very high5 Ų525 Ų255%0.05214%0.135CC..SBendtrans75.26.7178.400000115.2T134 K139 L142G85-T134 WeakPolarHBondContact CA-OG1 3.27Å; G85-T134 PolarHBondContact O-OG1 2.88Å; G85-K139 PolarHBondContact O-NZ 3.23Å; G85-L142 VanDerWaalsContact N-CD1 3.35Å
86R97.5Very high97.8Very high9 Ų928.4 Ų28.43%0.03416%0.159CC..SBendtrans-112.9-37.8173.9-179.259.1-172.184.7-1.9112.9Y56 N84 F121 M122 E124 T126 S131 V132Y56-R86 HydrophobicContact CE1-CB 4.32Å; Y56-R86 WeakPolarHBondContact OH-CB 3.28Å; N84-R86 PolarHBondContact O-N 3.29Å; N84-R86 VanDerWaalsContact OD1-CA 3.31Å; N84-R86 WeakPolarHBondContact OD1-CA 3.35Å; N84-R86 VanDerWaalsContact OD1-CB 3.25Å; N84-R86 WeakPolarHBondContact OD1-CB 3.13Å; N84-R86 PolarHBondContact OD1-N 3.15Å; R86-F121 PolarHBondContact NH2-O 2.8Å; R86-M122 HydrophobicContact CG-CG 4.46Å; R86-E124 PolarHBondContact NE-O 2.69Å; R86-T126 PolarHBondContact NH2-O 3.06Å; R86-S131 VanDerWaalsContact NH1-CB 3.31Å; R86-S131 PolarHBondContact NH1-OG 2.81Å; R86-S131 WeakPolarHBondContact O-CA 3.41Å; R86-V132 PolarHBondContact O-N 3.4Å
87F98.4Very high97.6Very high4 Ų429.1 Ų29.12%0.01816%0.163CC..BIsolated β-bridgetrans-128138.7-175.9-54.6-57.1000110.4M80 N84 L93 L118 F121 M122 G130M80-F87 HydrophobicContact CB-CB 4.21Å; M80-F87 HydrophobicContact CB-CD2 4.46Å; M80-F87 HydrophobicContact SD-CD2 4.21Å; N84-F87 PolarHBondContact ND2-O 3.37Å; N84-F87 PolarHBondContact OD1-N 2.83Å; F87-L93 HydrophobicContact CB-CD1 4.21Å; F87-L93 HydrophobicContact CB-CD2 3.81Å; F87-L93 HydrophobicContact CD1-CD1 3.93Å; F87-L93 HydrophobicContact CD1-CD2 3.87Å; F87-L93 HydrophobicContact CD1-CG 4.48Å; F87-L93 HydrophobicContact CD2-CD1 3.99Å; F87-L93 HydrophobicContact CE1-CD1 4.28Å; F87-L93 HydrophobicContact CE2-CD1 4.33Å; F87-L93 HydrophobicContact CG-CD1 3.77Å; F87-L93 HydrophobicContact CG-CD2 3.99Å; F87-L93 HydrophobicContact CZ-CD1 4.48Å; F87-L118 HydrophobicContact CE2-CD1 4.31Å; F87-L118 HydrophobicContact CZ-CD1 4.45Å; F87-F121 AromaticContact CE1-CD1 3.74Å; F87-F121 HydrophobicContact CE1-CD1 3.74Å; F87-F121 AromaticContact CE1-CE1 3.93Å; F87-F121 HydrophobicContact CE1-CE1 3.93Å; F87-F121 AromaticContact CZ-CD1 3.83Å; F87-F121 HydrophobicContact CZ-CD1 3.83Å; F87-F121 HydrophobicContact CZ-CE1 4.47Å; F87-M122 HydrophobicContact CE2-CB 3.85Å; F87-M122 HydrophobicContact CE2-CG 3.89Å; F87-M122 HydrophobicContact CZ-CB 4.15Å; F87-G130 CarbonylContact C-O 3.3Å; F87-G130 VanDerWaalsContact CA-O 3.23Å; F87-G130 WeakPolarHBondContact CA-O 3.48Å
88A98.4Very high97.5Very high28 Ų2828.5 Ų28.523%0.23116%0.158CC..  trans-62.7131.6168.900000109.6T91 G130 V132A88-T91 HydrophobicContact CB-CG2 4.44Å; A88-G130 PolarHBondContact N-O 2.78Å; A88-V132 HydrophobicContact CB-CG1 3.91Å
89C98.6Very high97.4Very high49 Ų4930.8 Ų30.833%0.33117%0.171SC..THydrogen-bonded Turntrans-63.7144-179-65.50000111.2M80 I81 P83 T91M80-C89 CarbonylContact O-C 3.48Å; M80-C89 VanDerWaalsContact O-CA 3.3Å; M80-C89 WeakPolarHBondContact O-CA 3.38Å; I81-C89 PolarHBondContact O-SG 2.94Å; P83-C89 VanDerWaalsContact CA-SG 3.59Å; C89-T91 PolarHBondContact O-N 3.15Å; C89-T91 PolarHBondContact O-OG1 3.37Å; C89-T91 VanDerWaalsContact O-OG1 3.1Å
90N98.1Very high97.3Very high100 Ų10032 Ų3254%0.53518%0.177SC..THydrogen-bonded Turntrans51.426.9176.8-59.5-59.2000114.2M80 I81M80-N90 PolarHBondContact O-N 2.81Å; I81-N90 WeakPolarHBondContact CG1-OD1 3.48Å
91T98.6Very high97.1Very high54 Ų5435.6 Ų35.633%0.33119%0.194SC..  trans-110.5139.9178.8-57.70000109.1A88 C89 L93A88-T91 HydrophobicContact CB-CG2 4.44Å; C89-T91 PolarHBondContact O-N 3.15Å; C89-T91 PolarHBondContact O-OG1 3.37Å; C89-T91 VanDerWaalsContact O-OG1 3.1Å; T91-L93 PolarHBondContact O-N 2.78Å
92R98.1Very high96.8Very high119 Ų11937.4 Ų37.445%0.44921%0.207SC..BIsolated β-bridgetrans-61.2129.1176.3-74-165.5-72169.8-2.9110Y79 D99 F100Y79-R92 HydrophobicContact CD1-CG 4.4Å; Y79-R92 HydrophobicContact CE1-CB 4.32Å; Y79-R92 HydrophobicContact CE1-CG 3.46Å; Y79-R92 VanDerWaalsContact CE1-CG 3.46Å; Y79-R92 HydrophobicContact CE2-CG 4.37Å; Y79-R92 VanDerWaalsContact CZ-CG 3.44Å; Y79-R92 VanDerWaalsContact OH-CG 3.23Å; Y79-R92 WeakPolarHBondContact OH-CG 3.12Å; R92-D99 IonicContact CZ-OD2 2.94Å; R92-D99 IonicContact NH1-OD2 3.63Å; R92-D99 PolarHBondContact NH1-OD2 3.38Å; R92-F100 HydrophobicContact CB-CE2 3.72Å; R92-F100 HydrophobicContact CB-CZ 4.02Å
93L97.9Very high96.5Very high0 Ų045 Ų450%025%0.248CC..  trans-94.4127.9178.8-52.8-175.5000110.6I78 F87 T91 L95 S98 L118I78-L93 HydrophobicContact CB-CB 4.4Å; I78-L93 HydrophobicContact CG2-CD1 4.25Å; I78-L93 WeakPolarHBondContact O-CG 3.48Å; I78-L93 PolarHBondContact O-N 3.23Å; F87-L93 HydrophobicContact CB-CD1 4.21Å; F87-L93 HydrophobicContact CB-CD2 3.81Å; F87-L93 HydrophobicContact CD1-CD1 3.93Å; F87-L93 HydrophobicContact CD1-CD2 3.87Å; F87-L93 HydrophobicContact CD1-CG 4.48Å; F87-L93 HydrophobicContact CD2-CD1 3.99Å; F87-L93 HydrophobicContact CE1-CD1 4.28Å; F87-L93 HydrophobicContact CE2-CD1 4.33Å; F87-L93 HydrophobicContact CG-CD1 3.77Å; F87-L93 HydrophobicContact CG-CD2 3.99Å; F87-L93 HydrophobicContact CZ-CD1 4.48Å; T91-L93 PolarHBondContact O-N 2.78Å; L93-L95 PolarHBondContact O-N 3.48Å; L93-S98 WeakPolarHBondContact O-CB 3.45Å; L93-S98 PolarHBondContact O-OG 3.22Å; L93-L118 HydrophobicContact CD1-CD1 4.13Å
94C96.9Very high96.3Very high15 Ų1546.9 Ų46.910%0.10126%0.259CS..  trans-91.5101.7177.11770000110.3F100 H101 T128 M129C94-F100 VanDerWaalsContact CA-CD2 3.5Å; C94-F100 HydrophobicContact CB-CB 4.1Å; C94-F100 HydrophobicContact CB-CD1 4.1Å; C94-F100 HydrophobicContact CB-CD2 3.6Å; C94-F100 HydrophobicContact CB-CE1 4.41Å; C94-F100 HydrophobicContact CB-CE2 3.9Å; C94-F100 HydrophobicContact CB-CG 3.67Å; C94-F100 HydrophobicContact CB-CZ 4.31Å; C94-F100 WeakPolarHBondContact SG-CB 3.4Å; C94-H101 PolarHBondContact SG-NE2 3.44Å; C94-T128 WeakPolarHBondContact CB-OG1 3.39Å; C94-T128 WeakPolarHBondContact O-CB 3.34Å; C94-T128 WeakPolarHBondContact O-CG2 3.29Å; C94-T128 PolarHBondContact O-OG1 3.04Å; C94-M129 HydrophobicContact CB-CB 3.6Å; C94-M129 HydrophobicContact CB-CG 4.49Å; C94-M129 PolarHBondContact N-O 3.4Å
95L94.1Very high96.2Very high6 Ų647.7 Ų47.73%0.03126%0.262CS..  trans-124.7156.6176.9-53.6-174.3000108.1I78 L93 I97 S98 H101 L118 F121I78-L95 HydrophobicContact CD1-CD1 4.03Å; L93-L95 PolarHBondContact O-N 3.48Å; L95-I97 HydrophobicContact CB-CG1 3.74Å; L95-I97 HydrophobicContact CD1-CD1 4.17Å; L95-I97 HydrophobicContact CD1-CG1 4.14Å; L95-I97 PolarHBondContact O-N 2.91Å; L95-S98 PolarHBondContact N-OG 3.48Å; L95-S98 PolarHBondContact O-N 2.94Å; L95-S98 PolarHBondContact O-OG 3.42Å; L95-S98 VanDerWaalsContact O-OG 3.13Å; L95-H101 PolarHBondContact O-CD2 3.08Å; L95-H101 VanDerWaalsContact O-CD2 3.25Å; L95-L118 HydrophobicContact CD1-CB 4.37Å; L95-L118 HydrophobicContact CD1-CD1 3.81Å; L95-F121 HydrophobicContact CD1-CB 4.42Å; L95-F121 HydrophobicContact CD2-CB 3.99Å; L95-F121 HydrophobicContact CD2-CD1 3.07Å; L95-F121 HydrophobicContact CD2-CD2 3.76Å; L95-F121 HydrophobicContact CD2-CE1 3.26Å; L95-F121 HydrophobicContact CD2-CE2 3.93Å; L95-F121 HydrophobicContact CD2-CG 3.32Å; L95-F121 HydrophobicContact CD2-CZ 3.71Å; L95-F121 HydrophobicContact CG-CD1 4.46Å
96S90.6Very high96.1Very high77 Ų7751 Ų5154%0.53828%0.278SS..THydrogen-bonded Turntrans-55.9-17.2173.953.10000114.3T104S96-T104 PolarHBondContact O-OG1 2.96Å
97I94.3Very high96.1Very high14 Ų1453 Ų537%0.07229%0.293CS..THydrogen-bonded Turntrans-101.16.417858164.9000114.1I78 L95 W105 W109 I114I78-I97 HydrophobicContact CD1-CD1 4.09Å; I78-I97 HydrophobicContact CD1-CG1 4.1Å; L95-I97 HydrophobicContact CB-CG1 3.74Å; L95-I97 HydrophobicContact CD1-CD1 4.17Å; L95-I97 HydrophobicContact CD1-CG1 4.14Å; L95-I97 PolarHBondContact O-N 2.91Å; I97-W105 WeakPolarHBondContact O-CZ3 3.35Å; I97-W109 HydrophobicContact CB-CE3 4.45Å; I97-W109 HydrophobicContact CB-CZ3 4.33Å; I97-W109 HydrophobicContact CG2-CE3 3.86Å; I97-W109 HydrophobicContact CG2-CH2 4.17Å; I97-W109 HydrophobicContact CG2-CZ3 3.66Å; I97-I114 HydrophobicContact CD1-CB 4.42Å; I97-I114 HydrophobicContact CD1-CG2 4.09Å; I97-I114 WeakPolarHBondContact CD1-O 3.33Å
98S97.1Very high96Very high0 Ų056.5 Ų56.50%032%0.322CS..SBendtrans-112.1173-176.780.10000114.1P75 P76 L93 L95 F100 H101P75-S98 WeakPolarHBondContact CG-O 3.41Å; P76-S98 WeakPolarHBondContact O-CA 3.18Å; L93-S98 WeakPolarHBondContact O-CB 3.45Å; L93-S98 PolarHBondContact O-OG 3.22Å; L95-S98 PolarHBondContact N-OG 3.48Å; L95-S98 PolarHBondContact O-N 2.94Å; L95-S98 PolarHBondContact O-OG 3.42Å; L95-S98 VanDerWaalsContact O-OG 3.13Å; S98-F100 PolarHBondContact O-N 3.12Å; S98-H101 PolarHBondContact O-N 2.99Å
99D97.1Very high96Very high48 Ų4858.9 Ų58.926%0.25733%0.325SS..THydrogen-bonded Turntrans-60-7.8-179.371.3-40.6000116.6P75 P76 S77 R92 H101P75-D99 VanDerWaalsContact CG-CA 3.5Å; P75-D99 HydrophobicContact CG-CB 4.31Å; P76-D99 PolarHBondContact O-N 3.23Å; S77-D99 WeakPolarHBondContact CA-OD1 3.4Å; R92-D99 IonicContact CZ-OD2 2.94Å; R92-D99 IonicContact NH1-OD2 3.63Å; R92-D99 PolarHBondContact NH1-OD2 3.38Å; D99-H101 VanDerWaalsContact C-N 3.33Å
100F96.9Very high95.9Very high73 Ų7357.4 Ų57.432%0.3232%0.315SS..THydrogen-bonded Turntrans-75.1-22170-73.5-91.9000113.6R92 C94 S98 P102 M129R92-F100 HydrophobicContact CB-CE2 3.72Å; R92-F100 HydrophobicContact CB-CZ 4.02Å; C94-F100 VanDerWaalsContact CA-CD2 3.5Å; C94-F100 HydrophobicContact CB-CB 4.1Å; C94-F100 HydrophobicContact CB-CD1 4.1Å; C94-F100 HydrophobicContact CB-CD2 3.6Å; C94-F100 HydrophobicContact CB-CE1 4.41Å; C94-F100 HydrophobicContact CB-CE2 3.9Å; C94-F100 HydrophobicContact CB-CG 3.67Å; C94-F100 HydrophobicContact CB-CZ 4.31Å; C94-F100 WeakPolarHBondContact SG-CB 3.4Å; S98-F100 PolarHBondContact O-N 3.12Å; F100-P102 VanDerWaalsContact C-CD 3.45Å; F100-P102 WeakPolarHBondContact O-CD 3.42Å; F100-M129 HydrophobicContact CE1-CG 4.13Å; F100-M129 HydrophobicContact CZ-CG 3.87Å
101H93.1Very high95.9Very high75 Ų7552.6 Ų52.635%0.34729%0.29SS..  trans-127.164.2-173.9-59.8-81.1000112.3C94 L95 S98 D99 D103 T104 W105C94-H101 PolarHBondContact SG-NE2 3.44Å; L95-H101 PolarHBondContact O-CD2 3.08Å; L95-H101 VanDerWaalsContact O-CD2 3.25Å; S98-H101 PolarHBondContact O-N 2.99Å; D99-H101 VanDerWaalsContact C-N 3.33Å; H101-D103 PolarHBondContact O-N 2.88Å; H101-T104 VanDerWaalsContact CB-OG1 3.25Å; H101-T104 WeakPolarHBondContact CB-OG1 3.47Å; H101-T104 PolarHBondContact O-N 3.33Å; H101-T104 PolarHBondContact O-OG1 3.44Å; H101-W105 PolarHBondContact O-N 3.05Å
102P92.5Very high95.9Very high67 Ų6750.8 Ų50.844%0.43528%0.279SS..THydrogen-bonded Turntrans-61.2-29.6179.926.9-35.2000113F100 W105F100-P102 VanDerWaalsContact C-CD 3.45Å; F100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-W105 WeakPolarHBondContact O-CB 3.13Å; P102-W105 PolarHBondContact O-N 3.4Å
103D93.8Very high95.9Very high161 Ų16147.1 Ų47.186%0.86127%0.272SS*.THydrogen-bonded Turntrans-76.3-22.8-177.9-57.3-40.2000113.3H101H101-D103 PolarHBondContact O-N 2.88Å
104T93.6Very high96Very high80 Ų8047.1 Ų47.149%0.49127%0.272SS..THydrogen-bonded Turntrans-99.9-2.9176.267.40000112.7S96 H101 W109S96-T104 PolarHBondContact O-OG1 2.96Å; H101-T104 VanDerWaalsContact CB-OG1 3.25Å; H101-T104 WeakPolarHBondContact CB-OG1 3.47Å; H101-T104 PolarHBondContact O-N 3.33Å; H101-T104 PolarHBondContact O-OG1 3.44Å; T104-W109 WeakPolarHBondContact O-CH2 3.21Å
105W96.2Very high96.1Very high18 Ų1846.4 Ų46.47%0.06827%0.267CS..  trans-69.6132.4179171.1-106.1000110.9F71 P72 P75 I97 H101 P102 W109 I114F71-W105 HydrophobicContact CD2-CZ2 4.42Å; F71-W105 HydrophobicContact CE2-CH2 4.11Å; F71-W105 AromaticContact CE2-CZ2 3.74Å; F71-W105 HydrophobicContact CE2-CZ2 3.74Å; P72-W105 PolarHBondContact O-NE1 2.76Å; P75-W105 HydrophobicContact CB-CB 4.31Å; P75-W105 HydrophobicContact CB-CD2 3.54Å; P75-W105 HydrophobicContact CB-CE3 3.42Å; P75-W105 VanDerWaalsContact CB-CE3 3.42Å; P75-W105 HydrophobicContact CB-CG 3.93Å; P75-W105 HydrophobicContact CB-CZ3 3.96Å; P75-W105 HydrophobicContact CG-CB 4.21Å; P75-W105 HydrophobicContact CG-CD2 4.3Å; P75-W105 HydrophobicContact CG-CE3 4.49Å; P75-W105 HydrophobicContact CG-CG 4.15Å; I97-W105 WeakPolarHBondContact O-CZ3 3.35Å; H101-W105 PolarHBondContact O-N 3.05Å; P102-W105 WeakPolarHBondContact O-CB 3.13Å; P102-W105 PolarHBondContact O-N 3.4Å; W105-W109 HydrophobicContact CD2-CE3 4.22Å; W105-W109 AromaticContact CE3-CE3 3.45Å; W105-W109 HydrophobicContact CE3-CE3 3.45Å; W105-W109 VanDerWaalsContact CE3-CE3 3.45Å; W105-W109 AromaticContact CE3-CZ3 3.87Å; W105-W109 HydrophobicContact CE3-CZ3 3.87Å; W105-W109 HydrophobicContact CH2-CB 3.94Å; W105-W109 HydrophobicContact CH2-CE3 4.38Å; W105-W109 HydrophobicContact CZ2-CB 4.47Å; W105-W109 HydrophobicContact CZ3-CB 4.23Å; W105-W109 AromaticContact CZ3-CE3 3.58Å; W105-W109 HydrophobicContact CZ3-CE3 3.58Å; W105-W109 HydrophobicContact CZ3-CZ3 4.36Å; W105-I114 HydrophobicContact CH2-CD1 3.8Å; W105-I114 HydrophobicContact CH2-CG1 4Å; W105-I114 HydrophobicContact CZ3-CD1 4.33Å; W105-I114 HydrophobicContact CZ3-CG1 4.11Å
106N96.8Very high96.3Very high74 Ų7449.2 Ų49.240%0.39628%0.284SS..  trans-104.8115.5173.3-174.4-18.2000110.3A108 W109N106-A108 PolarHBondContact O-N 2.79Å; N106-A108 VanDerWaalsContact OD1-CB 3.24Å; N106-A108 WeakPolarHBondContact OD1-CB 3.34Å; N106-A108 PolarHBondContact OD1-N 2.75Å; N106-W109 HydrophobicContact CB-CD2 3.71Å; N106-W109 HydrophobicContact CB-CE3 4.1Å; N106-W109 HydrophobicContact CB-CG 4.05Å; N106-W109 HydrophobicContact CB-CH2 4.4Å; N106-W109 HydrophobicContact CB-CZ2 4.03Å; N106-W109 HydrophobicContact CB-CZ3 4.42Å; N106-W109 WeakPolarHBondContact O-CB 3.25Å; N106-W109 PolarHBondContact O-N 2.92Å
107P96.4Very high96.6Very high51 Ų5146.7 Ų46.733%0.33127%0.271SS..THydrogen-bonded Turntrans-57.6-17.2177.4-27.236000115.4R16 P72 W109R16-P107 PolarHBondContact NH1-O 2.72Å; P72-P107 HydrophobicContact CB-CB 4.41Å; P72-P107 HydrophobicContact CG-CB 4.48Å; P72-P107 VanDerWaalsContact O-CA 3.29Å; P72-P107 WeakPolarHBondContact O-CA 3.31Å; P72-P107 VanDerWaalsContact O-CB 3.3Å; P72-P107 WeakPolarHBondContact O-CB 3.45Å; P107-W109 VanDerWaalsContact C-N 3.31Å
108A96.7Very high96.8Very high77 Ų7746 Ų4664%0.63627%0.267SS*.THydrogen-bonded Turntrans-74.5-18174.300000113.5N106 S110N106-A108 PolarHBondContact O-N 2.79Å; N106-A108 VanDerWaalsContact OD1-CB 3.24Å; N106-A108 WeakPolarHBondContact OD1-CB 3.34Å; N106-A108 PolarHBondContact OD1-N 2.75Å; A108-S110 PolarHBondContact O-N 2.93Å
109W97.7Very high96.8Very high79 Ų7946.9 Ų46.930%0.29927%0.272SS..  trans-65.4126.2177.8-70.5-19.8000111.1R16 I97 T104 W105 N106 P107 S113R16-W109 PolarHBondContact NH2-O 2.9Å; I97-W109 HydrophobicContact CB-CE3 4.45Å; I97-W109 HydrophobicContact CB-CZ3 4.33Å; I97-W109 HydrophobicContact CG2-CE3 3.86Å; I97-W109 HydrophobicContact CG2-CH2 4.17Å; I97-W109 HydrophobicContact CG2-CZ3 3.66Å; T104-W109 WeakPolarHBondContact O-CH2 3.21Å; W105-W109 HydrophobicContact CD2-CE3 4.22Å; W105-W109 AromaticContact CE3-CE3 3.45Å; W105-W109 HydrophobicContact CE3-CE3 3.45Å; W105-W109 VanDerWaalsContact CE3-CE3 3.45Å; W105-W109 AromaticContact CE3-CZ3 3.87Å; W105-W109 HydrophobicContact CE3-CZ3 3.87Å; W105-W109 HydrophobicContact CH2-CB 3.94Å; W105-W109 HydrophobicContact CH2-CE3 4.38Å; W105-W109 HydrophobicContact CZ2-CB 4.47Å; W105-W109 HydrophobicContact CZ3-CB 4.23Å; W105-W109 AromaticContact CZ3-CE3 3.58Å; W105-W109 HydrophobicContact CZ3-CE3 3.58Å; W105-W109 HydrophobicContact CZ3-CZ3 4.36Å; N106-W109 HydrophobicContact CB-CD2 3.71Å; N106-W109 HydrophobicContact CB-CE3 4.1Å; N106-W109 HydrophobicContact CB-CG 4.05Å; N106-W109 HydrophobicContact CB-CH2 4.4Å; N106-W109 HydrophobicContact CB-CZ2 4.03Å; N106-W109 HydrophobicContact CB-CZ3 4.42Å; N106-W109 WeakPolarHBondContact O-CB 3.25Å; N106-W109 PolarHBondContact O-N 2.92Å; P107-W109 VanDerWaalsContact C-N 3.31Å; W109-S113 WeakPolarHBondContact CA-OG 3.32Å; W109-S113 VanDerWaalsContact CB-OG 3.31Å; W109-S113 WeakPolarHBondContact CB-OG 3.18Å
110S97.7Very high96.9Very high17 Ų1747.3 Ų47.312%0.11928%0.278CS..  trans-87166177.666.70000111.9D20 A108 S112 S113 I114D20-S110 VanDerWaalsContact OD2-CA 3.29Å; D20-S110 WeakPolarHBondContact OD2-CA 3.45Å; A108-S110 PolarHBondContact O-N 2.93Å; S110-S112 PolarHBondContact O-N 3.1Å; S110-S112 PolarHBondContact OG-N 3Å; S110-S113 PolarHBondContact N-OG 2.79Å; S110-S113 PolarHBondContact O-N 2.86Å; S110-S113 PolarHBondContact O-OG 2.87Å; S110-S113 PolarHBondContact OG-N 3.11Å; S110-I114 PolarHBondContact O-N 2.85Å
111V98.7Very high96.8Very high0 Ų045.4 Ų45.40%027%0.27CS..Hα-helixtrans-49.8-42167.7179.80000111.7L17 D20 W44 L65 F67 S113 I114 L115L17-V111 HydrophobicContact CD2-CG2 4.45Å; D20-V111 HydrophobicContact CB-CB 4.21Å; D20-V111 HydrophobicContact CB-CG2 3.71Å; D20-V111 PolarHBondContact OD2-N 3.05Å; W44-V111 HydrophobicContact CE3-CG1 3.97Å; W44-V111 HydrophobicContact CH2-CG2 4.29Å; W44-V111 HydrophobicContact CZ2-CG2 4.47Å; W44-V111 HydrophobicContact CZ3-CG1 3.92Å; W44-V111 HydrophobicContact CZ3-CG2 4.45Å; L65-V111 HydrophobicContact CD1-CG1 4.17Å; F67-V111 HydrophobicContact CE1-CG2 4.19Å; F67-V111 HydrophobicContact CZ-CG2 3.71Å; V111-S113 VanDerWaalsContact C-N 3.34Å; V111-S113 PolarHBondContact O-N 3.05Å; V111-I114 WeakPolarHBondContact O-CB 3.5Å; V111-I114 PolarHBondContact O-N 3.31Å; V111-L115 HydrophobicContact CG1-CD1 3.96Å; V111-L115 HydrophobicContact CG1-CG 4.32Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.14Å
112S98.6Very high97Very high16 Ų1641.9 Ų41.911%0.11225%0.254CS..Hα-helixtrans-58.8-42.6176.3-49.50000112.8L24 V29 S110 L115 T116L24-S112 WeakPolarHBondContact CD1-OG 3.45Å; V29-S112 WeakPolarHBondContact CG2-O 3.43Å; S110-S112 PolarHBondContact O-N 3.1Å; S110-S112 PolarHBondContact OG-N 3Å; S112-L115 PolarHBondContact O-N 2.78Å; S112-T116 WeakPolarHBondContact O-CB 3.13Å; S112-T116 PolarHBondContact O-N 2.78Å; S112-T116 PolarHBondContact O-OG1 3.05Å
113S98.1Very high97.2Very high41 Ų4142.2 Ų42.229%0.28725%0.252SS..Hα-helixtrans-69.8-35177.863.10000112.8W109 S110 V111 T116 G117W109-S113 WeakPolarHBondContact CA-OG 3.32Å; W109-S113 VanDerWaalsContact CB-OG 3.31Å; W109-S113 WeakPolarHBondContact CB-OG 3.18Å; S110-S113 PolarHBondContact N-OG 2.79Å; S110-S113 PolarHBondContact O-N 2.86Å; S110-S113 PolarHBondContact O-OG 2.87Å; S110-S113 PolarHBondContact OG-N 3.11Å; V111-S113 VanDerWaalsContact C-N 3.34Å; V111-S113 PolarHBondContact O-N 3.05Å; S113-T116 PolarHBondContact O-N 3.37Å; S113-G117 PolarHBondContact O-N 3.44Å
114I98.7Very high97.2Very high0 Ų038.7 Ų38.70%023%0.23CC..Hα-helixtrans-61.1-48.7173.1-66.2157.3000109.9L65 F67 P76 I78 I97 W105 S110 V111 T116 G117 L118L65-I114 HydrophobicContact CD1-CG2 3.99Å; L65-I114 HydrophobicContact CD2-CG2 3.89Å; F67-I114 HydrophobicContact CE1-CD1 3.96Å; F67-I114 HydrophobicContact CZ-CD1 4.47Å; P76-I114 HydrophobicContact CG-CD1 3.76Å; P76-I114 HydrophobicContact CG-CG1 4.43Å; P76-I114 HydrophobicContact CG-CG2 4.22Å; I78-I114 HydrophobicContact CD1-CG2 4.02Å; I97-I114 HydrophobicContact CD1-CB 4.42Å; I97-I114 HydrophobicContact CD1-CG2 4.09Å; I97-I114 WeakPolarHBondContact CD1-O 3.33Å; W105-I114 HydrophobicContact CH2-CD1 3.8Å; W105-I114 HydrophobicContact CH2-CG1 4Å; W105-I114 HydrophobicContact CZ3-CD1 4.33Å; W105-I114 HydrophobicContact CZ3-CG1 4.11Å; S110-I114 PolarHBondContact O-N 2.85Å; V111-I114 WeakPolarHBondContact O-CB 3.5Å; V111-I114 PolarHBondContact O-N 3.31Å; I114-T116 PolarHBondContact O-N 2.89Å; I114-G117 PolarHBondContact O-N 2.63Å; I114-L118 WeakPolarHBondContact O-CB 3.24Å; I114-L118 PolarHBondContact O-N 3.04Å
115L98.8Very high97.1Very high0 Ų042.1 Ų42.10%025%0.245CC..Hα-helixtrans-65.1-38.9-179.9-67.2172.7000112.3L24 V29 V32 A34 Y46 L65 V111 S112 L118 L119L24-L115 HydrophobicContact CD2-CD1 4.3Å; V29-L115 HydrophobicContact CG2-CB 4.44Å; V32-L115 HydrophobicContact CG1-CB 4.08Å; V32-L115 HydrophobicContact CG1-CD1 4.07Å; V32-L115 HydrophobicContact CG1-CD2 4.01Å; V32-L115 HydrophobicContact CG1-CG 4.27Å; A34-L115 HydrophobicContact CB-CD1 3.6Å; Y46-L115 HydrophobicContact CD1-CD2 3.79Å; Y46-L115 HydrophobicContact CD2-CD2 4.25Å; Y46-L115 HydrophobicContact CG-CD2 3.65Å; L65-L115 HydrophobicContact CD1-CD2 4.05Å; L65-L115 HydrophobicContact CD1-CG 4.48Å; V111-L115 HydrophobicContact CG1-CD1 3.96Å; V111-L115 HydrophobicContact CG1-CG 4.32Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.14Å; S112-L115 PolarHBondContact O-N 2.78Å; L115-L118 PolarHBondContact O-N 3.33Å; L115-L119 PolarHBondContact O-N 2.92Å
116T98.5Very high96.9Very high65 Ų6544.2 Ų44.240%0.39926%0.26SS..Hα-helixtrans-64.2-44.3175-57.30000111.4V29 S112 S113 I114 L119 S120V29-T116 WeakPolarHBondContact CG1-OG1 3.42Å; S112-T116 WeakPolarHBondContact O-CB 3.13Å; S112-T116 PolarHBondContact O-N 2.78Å; S112-T116 PolarHBondContact O-OG1 3.05Å; S113-T116 PolarHBondContact O-N 3.37Å; I114-T116 PolarHBondContact O-N 2.89Å; T116-L119 PolarHBondContact O-N 2.81Å; T116-S120 WeakPolarHBondContact O-CB 3.47Å; T116-S120 PolarHBondContact O-N 2.88Å; T116-S120 PolarHBondContact O-OG 2.95Å
117G97.4Very high96.7Very high25 Ų2546 Ų4626%0.25828%0.278SS..Hα-helixtrans-65.1-40.3176.700000112.4S113 I114 S120 F121S113-G117 PolarHBondContact O-N 3.44Å; I114-G117 PolarHBondContact O-N 2.63Å; G117-S120 PolarHBondContact O-N 2.85Å; G117-F121 WeakPolarHBondContact O-CB 3.46Å; G117-F121 PolarHBondContact O-N 2.78Å
118L98.3Very high96.5Very high0 Ų045.3 Ų45.30%027%0.272CS..Hα-helixtrans-62-46.3174.1173.463.7000112Y46 I48 I78 M80 F87 L93 L95 I114 L115 S120 F121 M122Y46-L118 HydrophobicContact CD2-CD2 4.35Å; Y46-L118 HydrophobicContact CE1-CD2 4.01Å; Y46-L118 HydrophobicContact CE2-CD2 3.46Å; Y46-L118 VanDerWaalsContact CE2-CD2 3.46Å; Y46-L118 WeakPolarHBondContact OH-CD2 3.49Å; I48-L118 HydrophobicContact CD1-CD2 4.04Å; I48-L118 HydrophobicContact CD1-CG 4.1Å; I78-L118 HydrophobicContact CG2-CD1 4.05Å; I78-L118 HydrophobicContact CG2-CD2 3.93Å; M80-L118 HydrophobicContact CE-CD2 4.34Å; F87-L118 HydrophobicContact CE2-CD1 4.31Å; F87-L118 HydrophobicContact CZ-CD1 4.45Å; L93-L118 HydrophobicContact CD1-CD1 4.13Å; L95-L118 HydrophobicContact CD1-CB 4.37Å; L95-L118 HydrophobicContact CD1-CD1 3.81Å; I114-L118 WeakPolarHBondContact O-CB 3.24Å; I114-L118 PolarHBondContact O-N 3.04Å; L115-L118 PolarHBondContact O-N 3.33Å; L118-S120 VanDerWaalsContact C-N 3.34Å; L118-F121 PolarHBondContact O-N 3.05Å; L118-M122 WeakPolarHBondContact O-CB 3.4Å; L118-M122 PolarHBondContact O-N 3.29Å
119L98.2Very high96.4Very high18 Ų1847.3 Ų47.39%0.09427%0.27CS..Hα-helixtrans-60.6-45.9176.3173.658.7000110.9Y31 V32 I48 P51 L115 T116 F121 M122 L123Y31-L119 HydrophobicContact CD2-CD2 4.28Å; V32-L119 HydrophobicContact CG2-CB 4.36Å; V32-L119 HydrophobicContact CG2-CD2 4.09Å; I48-L119 HydrophobicContact CG2-CD1 3.72Å; P51-L119 HydrophobicContact CG-CD1 4.2Å; L115-L119 PolarHBondContact O-N 2.92Å; T116-L119 PolarHBondContact O-N 2.81Å; L119-F121 VanDerWaalsContact C-N 3.3Å; L119-F121 PolarHBondContact O-N 3.41Å; L119-M122 WeakPolarHBondContact O-CB 3.42Å; L119-M122 PolarHBondContact O-N 2.92Å; L119-M122 VanDerWaalsContact O-N 3.15Å; L119-L123 HydrophobicContact CD1-CD1 4.2Å; L119-L123 HydrophobicContact CD1-CG 4.29Å; L119-L123 HydrophobicContact CG-CD1 4.45Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.98Å
120S97.4Very high96.4Very high56 Ų5644 Ų4439%0.39226%0.26SS..Hα-helixtrans-56-47.8177.4-56.70000110.7T116 G117 L118 M122 L123 E124T116-S120 WeakPolarHBondContact O-CB 3.47Å; T116-S120 PolarHBondContact O-N 2.88Å; T116-S120 PolarHBondContact O-OG 2.95Å; G117-S120 PolarHBondContact O-N 2.85Å; L118-S120 VanDerWaalsContact C-N 3.34Å; S120-M122 VanDerWaalsContact C-N 3.34Å; S120-M122 PolarHBondContact O-N 3.03Å; S120-L123 PolarHBondContact O-N 3.23Å; S120-L123 VanDerWaalsContact O-N 3.15Å; S120-E124 PolarHBondContact O-N 3.45Å
121F95.9Very high96.3Very high33 Ų3344.3 Ų44.315%0.14526%0.262CS..Hα-helixtrans-68.1-30.7179.2-162.8-95.5000114R86 F87 L95 G117 L118 L119 L123 E124 T126 T128R86-F121 PolarHBondContact NH2-O 2.8Å; F87-F121 AromaticContact CE1-CD1 3.74Å; F87-F121 HydrophobicContact CE1-CD1 3.74Å; F87-F121 AromaticContact CE1-CE1 3.93Å; F87-F121 HydrophobicContact CE1-CE1 3.93Å; F87-F121 AromaticContact CZ-CD1 3.83Å; F87-F121 HydrophobicContact CZ-CD1 3.83Å; F87-F121 HydrophobicContact CZ-CE1 4.47Å; L95-F121 HydrophobicContact CD1-CB 4.42Å; L95-F121 HydrophobicContact CD2-CB 3.99Å; L95-F121 HydrophobicContact CD2-CD1 3.07Å; L95-F121 HydrophobicContact CD2-CD2 3.76Å; L95-F121 HydrophobicContact CD2-CE1 3.26Å; L95-F121 HydrophobicContact CD2-CE2 3.93Å; L95-F121 HydrophobicContact CD2-CG 3.32Å; L95-F121 HydrophobicContact CD2-CZ 3.71Å; L95-F121 HydrophobicContact CG-CD1 4.46Å; G117-F121 WeakPolarHBondContact O-CB 3.46Å; G117-F121 PolarHBondContact O-N 2.78Å; L118-F121 PolarHBondContact O-N 3.05Å; L119-F121 VanDerWaalsContact C-N 3.3Å; L119-F121 PolarHBondContact O-N 3.41Å; F121-L123 PolarHBondContact O-N 2.84Å; F121-E124 PolarHBondContact O-N 3.16Å; F121-T126 WeakPolarHBondContact CE2-OG1 3.3Å; F121-T126 VanDerWaalsContact CZ-OG1 3.31Å; F121-T126 WeakPolarHBondContact CZ-OG1 3.47Å; F121-T128 HydrophobicContact CE1-CG2 3.4Å; F121-T128 VanDerWaalsContact CE1-CG2 3.4Å; F121-T128 HydrophobicContact CZ-CG2 3.34Å
122M97.3Very high96.2Very high1 Ų146.9 Ų46.91%0.00528%0.278CS..Hα-helixtrans-63.3-31.5174.1-174.7171.9-177.100111.9I48 Y56 Y61 N84 R86 F87 L118 L119 S120I48-M122 HydrophobicContact CD1-SD 3.93Å; I48-M122 HydrophobicContact CG2-SD 4.19Å; Y56-M122 HydrophobicContact CD1-CE 3.58Å; Y56-M122 HydrophobicContact CD2-CE 4.33Å; Y56-M122 HydrophobicContact CE1-CE 3.76Å; Y56-M122 HydrophobicContact CE2-CG 4.17Å; Y56-M122 VanDerWaalsContact CE2-O 3.29Å; Y56-M122 WeakPolarHBondContact CE2-O 3.34Å; Y56-M122 HydrophobicContact CG-CE 3.89Å; Y56-M122 PolarHBondContact OH-O 3.26Å; Y61-M122 HydrophobicContact CD1-CE 3.97Å; Y61-M122 HydrophobicContact CD2-CE 3.6Å; Y61-M122 HydrophobicContact CD2-SD 4.47Å; Y61-M122 HydrophobicContact CE1-CE 4.16Å; Y61-M122 HydrophobicContact CE2-CE 3.86Å; Y61-M122 HydrophobicContact CG-CE 3.68Å; N84-M122 HydrophobicContact CB-CE 4.21Å; R86-M122 HydrophobicContact CG-CG 4.46Å; F87-M122 HydrophobicContact CE2-CB 3.85Å; F87-M122 HydrophobicContact CE2-CG 3.89Å; F87-M122 HydrophobicContact CZ-CB 4.15Å; L118-M122 WeakPolarHBondContact O-CB 3.4Å; L118-M122 PolarHBondContact O-N 3.29Å; L119-M122 WeakPolarHBondContact O-CB 3.42Å; L119-M122 PolarHBondContact O-N 2.92Å; L119-M122 VanDerWaalsContact O-N 3.15Å; S120-M122 VanDerWaalsContact C-N 3.34Å; S120-M122 PolarHBondContact O-N 3.03Å
123L96.6Very high96Very high75 Ų7552.8 Ų52.839%0.39331%0.313SS..Hα-helixtrans-86.3-11.2179.9-59.7177.3000113.2P51 Y56 L119 S120 F121P51-L123 HydrophobicContact CG-CD1 4.27Å; P51-L123 HydrophobicContact CG-CD2 4.38Å; Y56-L123 HydrophobicContact CD2-CD2 3.83Å; Y56-L123 HydrophobicContact CE2-CD2 4.14Å; L119-L123 HydrophobicContact CD1-CD1 4.2Å; L119-L123 HydrophobicContact CD1-CG 4.29Å; L119-L123 HydrophobicContact CG-CD1 4.45Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.98Å; S120-L123 PolarHBondContact O-N 3.23Å; S120-L123 VanDerWaalsContact O-N 3.15Å; F121-L123 PolarHBondContact O-N 2.84Å
124E94.8Very high96Very high86 Ų8652.7 Ų52.740%0.40231%0.311SS..SBendtrans-87.1165.7173.7-68.9172.8-156.200112.9R86 S120 F121 T126R86-E124 PolarHBondContact NE-O 2.69Å; S120-E124 PolarHBondContact O-N 3.45Å; F121-E124 PolarHBondContact O-N 3.16Å; E124-T126 PolarHBondContact OE2-OG1 3.21Å; E124-T126 VanDerWaalsContact OE2-OG1 3.1Å
125N90.3Very high95.9Very high152 Ų15255.3 Ų55.381%0.81333%0.329SS*.  trans-106.412.8177-63.2-55.3000113.5C127N125-C127 PolarHBondContact O-N 3.1Å
126T92.1Very high95.9Very high62 Ų6259.1 Ų59.138%0.3835%0.352SS..  trans-65.7123.7-178.441.10000111.4R86 F121 E124R86-T126 PolarHBondContact NH2-O 3.06Å; F121-T126 WeakPolarHBondContact CE2-OG1 3.3Å; F121-T126 VanDerWaalsContact CZ-OG1 3.31Å; F121-T126 WeakPolarHBondContact CZ-OG1 3.47Å; E124-T126 PolarHBondContact OE2-OG1 3.21Å; E124-T126 VanDerWaalsContact OE2-OG1 3.1Å
127C92.7Very high95.9Very high113 Ų11359.9 Ų59.976%0.76436%0.361SS*.  trans-80.6127.3177.8-167.60000110.4N125N125-C127 PolarHBondContact O-N 3.1Å
128T92.2Very high95.9Very high36 Ų3661.1 Ų61.122%0.22136%0.363CS..  trans-144.3172.8175.9-172.30000110.4C94 F121 G130 S131C94-T128 WeakPolarHBondContact CB-OG1 3.39Å; C94-T128 WeakPolarHBondContact O-CB 3.34Å; C94-T128 WeakPolarHBondContact O-CG2 3.29Å; C94-T128 PolarHBondContact O-OG1 3.04Å; F121-T128 HydrophobicContact CE1-CG2 3.4Å; F121-T128 VanDerWaalsContact CE1-CG2 3.4Å; F121-T128 HydrophobicContact CZ-CG2 3.34Å; T128-G130 PolarHBondContact O-N 2.88Å; T128-S131 VanDerWaalsContact CG2-OG 3.26Å; T128-S131 WeakPolarHBondContact CG2-OG 3.45Å; T128-S131 PolarHBondContact N-OG 3.24Å; T128-S131 VanDerWaalsContact N-OG 3.11Å; T128-S131 WeakPolarHBondContact O-CB 3.3Å; T128-S131 PolarHBondContact O-N 2.9Å; T128-S131 PolarHBondContact O-OG 3.36Å
129M95.4Very high96Very high118 Ų11862 Ų6258%0.58137%0.367SS*.THydrogen-bonded Turntrans-55130.9172.4178.463.672.900110.9C94 F100 S131C94-M129 HydrophobicContact CB-CB 3.6Å; C94-M129 HydrophobicContact CB-CG 4.49Å; C94-M129 PolarHBondContact N-O 3.4Å; F100-M129 HydrophobicContact CE1-CG 4.13Å; F100-M129 HydrophobicContact CZ-CG 3.87Å; M129-S131 VanDerWaalsContact C-N 3.33Å
130G96.2Very high96Very high9 Ų966.2 Ų66.29%0.09339%0.385CS..THydrogen-bonded Turntrans84.3-1.4-174.700000114.5F87 A88 T128F87-G130 CarbonylContact C-O 3.3Å; F87-G130 VanDerWaalsContact CA-O 3.23Å; F87-G130 WeakPolarHBondContact CA-O 3.48Å; A88-G130 PolarHBondContact N-O 2.78Å; T128-G130 PolarHBondContact O-N 2.88Å
131S96.4Very high96Very high25 Ų2570.1 Ų70.118%0.17540%0.396CS..BIsolated β-bridgetrans-76.3150173-60.20000112.3R86 T128 M129R86-S131 VanDerWaalsContact NH1-CB 3.31Å; R86-S131 PolarHBondContact NH1-OG 2.81Å; R86-S131 WeakPolarHBondContact O-CA 3.41Å; T128-S131 VanDerWaalsContact CG2-OG 3.26Å; T128-S131 WeakPolarHBondContact CG2-OG 3.45Å; T128-S131 PolarHBondContact N-OG 3.24Å; T128-S131 VanDerWaalsContact N-OG 3.11Å; T128-S131 WeakPolarHBondContact O-CB 3.3Å; T128-S131 PolarHBondContact O-N 2.9Å; T128-S131 PolarHBondContact O-OG 3.36Å; M129-S131 VanDerWaalsContact C-N 3.33Å
132V96.5Very high96.2Very high54 Ų5470.4 Ų70.433%0.32740%0.399SS..  trans-127.5148.9166.7-60.30000109.8R86 A88 T134R86-V132 PolarHBondContact O-N 3.4Å; A88-V132 HydrophobicContact CB-CG1 3.91Å; V132-T134 HydrophobicContact CG2-CG2 4.27Å
133V95.3Very high96.3Very high139 Ų13970.4 Ų70.484%0.84240%0.4SS*.  trans-103.2121.8176.7-177.90000108.7
134T97.1Very high96.3Very high40 Ų4076.4 Ų76.425%0.24542%0.417CS..  trans-140.3160.9178.265.60000110.2G85 V132 T138 K139G85-T134 WeakPolarHBondContact CA-OG1 3.27Å; G85-T134 PolarHBondContact O-OG1 2.88Å; V132-T134 HydrophobicContact CG2-CG2 4.27Å; T134-T138 HydrophobicContact CG2-CG2 4.19Å; T134-K139 PolarHBondContact O-NZ 3.36Å; T134-K139 PolarHBondContact OG1-NZ 2.82Å
135S97.5Very high96.5Very high55 Ų5574.8 Ų74.839%0.38542%0.416SS..  trans-71.5160.5175.471.10000112.1S137 T138 K139S135-S137 PolarHBondContact O-N 3.21Å; S135-S137 PolarHBondContact OG-OG 2.99Å; S135-T138 PolarHBondContact O-N 3.03Å; S135-T138 PolarHBondContact OG-N 3.11Å; S135-T138 VanDerWaalsContact OG-N 3.11Å; S135-T138 PolarHBondContact OG-OG1 3.44Å; S135-K139 PolarHBondContact O-N 3.3Å
136T97.6Very high96.9Very high79 Ų7967.6 Ų67.649%0.48538%0.377SS..Hα-helixtrans-60-34.2172.1-61.40000112.2P55 K139 K140P55-T136 HydrophobicContact CB-CG2 4.07Å; T136-K139 PolarHBondContact O-N 3.46Å; T136-K140 HydrophobicContact CG2-CD 4.23Å; T136-K140 WeakPolarHBondContact O-CG 3.29Å; T136-K140 PolarHBondContact O-N 3.07Å
137S98.4Very high97.2Very high82 Ų8264.9 Ų64.957%0.57336%0.362SS*.Hα-helixtrans-66.2-41.117656.40000111.6S135 K140 Q141S135-S137 PolarHBondContact O-N 3.21Å; S135-S137 PolarHBondContact OG-OG 2.99Å; S137-K140 PolarHBondContact O-N 3.02Å; S137-Q141 PolarHBondContact O-N 2.84Å
138T98.6Very high97.5Very high51 Ų5163 Ų6331%0.31334%0.344SS..Hα-helixtrans-61.4-46.5174-600000111.4T134 S135 K140 Q141 L142T134-T138 HydrophobicContact CG2-CG2 4.19Å; S135-T138 PolarHBondContact O-N 3.03Å; S135-T138 PolarHBondContact OG-N 3.11Å; S135-T138 VanDerWaalsContact OG-N 3.11Å; S135-T138 PolarHBondContact OG-OG1 3.44Å; T138-K140 VanDerWaalsContact C-N 3.34Å; T138-K140 PolarHBondContact O-N 3.12Å; T138-Q141 PolarHBondContact O-N 3Å; T138-L142 HydrophobicContact CG2-CD1 4.06Å; T138-L142 HydrophobicContact CG2-CG 4.42Å; T138-L142 WeakPolarHBondContact O-CG 3.43Å; T138-L142 PolarHBondContact O-N 2.88Å
139K98.6Very high97.8Very high17 Ų1765.5 Ų65.57%0.07435%0.352CS..Hα-helixtrans-57.5-45.5176.1-68.2178.8176.568.40112.1P55 Y56 G85 T134 S135 T136 Q141 L142 A143P55-K139 HydrophobicContact CB-CB 4.2Å; P55-K139 HydrophobicContact CB-CD 4.16Å; P55-K139 HydrophobicContact CG-CD 4.01Å; Y56-K139 HydrophobicContact CE1-CB 4.37Å; Y56-K139 HydrophobicContact CE1-CD 3.87Å; Y56-K139 HydrophobicContact CE1-CG 4.16Å; Y56-K139 WeakPolarHBondContact OH-CE 3.29Å; G85-K139 PolarHBondContact O-NZ 3.23Å; T134-K139 PolarHBondContact O-NZ 3.36Å; T134-K139 PolarHBondContact OG1-NZ 2.82Å; S135-K139 PolarHBondContact O-N 3.3Å; T136-K139 PolarHBondContact O-N 3.46Å; K139-Q141 PolarHBondContact O-N 2.78Å; K139-L142 PolarHBondContact O-N 2.93Å; K139-A143 WeakPolarHBondContact O-CB 3.41Å; K139-A143 PolarHBondContact O-N 2.7Å
140K98.6Very high98Very high108 Ų10859.9 Ų59.947%0.4732%0.324SS..Hα-helixtrans-63.8-37.7177-72.9175.8178-1790112.8T136 S137 T138 R144T136-K140 HydrophobicContact CG2-CD 4.23Å; T136-K140 WeakPolarHBondContact O-CG 3.29Å; T136-K140 PolarHBondContact O-N 3.07Å; S137-K140 PolarHBondContact O-N 3.02Å; T138-K140 VanDerWaalsContact C-N 3.34Å; T138-K140 PolarHBondContact O-N 3.12Å; K140-R144 WeakPolarHBondContact O-CG 3.34Å; K140-R144 PolarHBondContact O-N 3.22Å
141Q98.7Very high98.1Very high137 Ų13761.3 Ų61.364%0.6433%0.33SS*.Hα-helixtrans-65.3-46.3175.1-178.6-179.6-8.900111S137 T138 K139 A143 R144 S145S137-Q141 PolarHBondContact O-N 2.84Å; T138-Q141 PolarHBondContact O-N 3Å; K139-Q141 PolarHBondContact O-N 2.78Å; Q141-A143 VanDerWaalsContact C-N 3.32Å; Q141-A143 PolarHBondContact O-N 3.42Å; Q141-R144 PolarHBondContact O-N 3.48Å; Q141-S145 PolarHBondContact O-N 3.3Å; Q141-S145 PolarHBondContact O-OG 3.41Å
142L98.8Very high98.2Very high39 Ų3968.5 Ų68.520%0.20436%0.357CS..Hα-helixtrans-62.2-39.8177.3-68174.8000111.8P83 G85 T138 K139 R144 S145 S146P83-L142 HydrophobicContact CB-CD2 3.86Å; G85-L142 VanDerWaalsContact N-CD1 3.35Å; T138-L142 HydrophobicContact CG2-CD1 4.06Å; T138-L142 HydrophobicContact CG2-CG 4.42Å; T138-L142 WeakPolarHBondContact O-CG 3.43Å; T138-L142 PolarHBondContact O-N 2.88Å; K139-L142 PolarHBondContact O-N 2.93Å; L142-R144 VanDerWaalsContact C-N 3.33Å; L142-R144 PolarHBondContact O-N 3.02Å; L142-S145 WeakPolarHBondContact CA-OG 3.31Å; L142-S145 PolarHBondContact O-N 3.01Å; L142-S145 PolarHBondContact O-OG 3.37Å; L142-S146 WeakPolarHBondContact O-CB 3.45Å; L142-S146 PolarHBondContact O-N 3.02Å
143A98.8Very high98.3Very high2 Ų267.4 Ų67.42%0.01735%0.352CS..Hα-helixtrans-55.2-47.3173.900000111.6G59 Y61 K139 Q141 S145 S146G59-A143 WeakPolarHBondContact CA-O 3.4Å; Y61-A143 VanDerWaalsContact OH-CB 3.27Å; Y61-A143 WeakPolarHBondContact OH-CB 3.11Å; K139-A143 WeakPolarHBondContact O-CB 3.41Å; K139-A143 PolarHBondContact O-N 2.7Å; Q141-A143 VanDerWaalsContact C-N 3.32Å; Q141-A143 PolarHBondContact O-N 3.42Å; A143-S145 PolarHBondContact O-N 3.25Å; A143-S146 WeakPolarHBondContact O-CB 3.33Å; A143-S146 PolarHBondContact O-N 3.33Å; A143-S146 PolarHBondContact O-OG 2.87Å
144R98Very high98.4Very high200 Ų20068.6 Ų68.676%0.75535%0.349SS*.Hα-helixtrans-62-39.8178.4-68.5172-176.3179.8-0.9113K140 Q141 L142K140-R144 WeakPolarHBondContact O-CG 3.34Å; K140-R144 PolarHBondContact O-N 3.22Å; Q141-R144 PolarHBondContact O-N 3.48Å; L142-R144 VanDerWaalsContact C-N 3.33Å; L142-R144 PolarHBondContact O-N 3.02Å
145S98.2Very high98.5Very high53 Ų5369.4 Ų69.437%0.37135%0.351SS..Hα-helixtrans-83.1-8.8-179.356.40000114.7Q141 L142 A143 G147 D148 F149Q141-S145 PolarHBondContact O-N 3.3Å; Q141-S145 PolarHBondContact O-OG 3.41Å; L142-S145 WeakPolarHBondContact CA-OG 3.31Å; L142-S145 PolarHBondContact O-N 3.01Å; L142-S145 PolarHBondContact O-OG 3.37Å; A143-S145 PolarHBondContact O-N 3.25Å; S145-G147 PolarHBondContact O-N 2.57Å; S145-D148 PolarHBondContact O-N 3.24Å; S145-F149 WeakPolarHBondContact O-CB 3.47Å; S145-F149 PolarHBondContact O-N 3.28Å; S145-F149 VanDerWaalsContact O-N 3.08Å
146S98.9Very high98.6Very high1 Ų166.8 Ų66.81%0.00733%0.333CS..Hα-helixtrans-64.9-37.4-170.764.70000113.3G59 Y60 L142 A143 F149 N150G59-S146 VanDerWaalsContact CA-OG 3.24Å; G59-S146 WeakPolarHBondContact CA-OG 3.35Å; Y60-S146 PolarHBondContact N-OG 3.48Å; Y60-S146 WeakPolarHBondContact O-CB 3.07Å; L142-S146 WeakPolarHBondContact O-CB 3.45Å; L142-S146 PolarHBondContact O-N 3.02Å; A143-S146 WeakPolarHBondContact O-CB 3.33Å; A143-S146 PolarHBondContact O-N 3.33Å; A143-S146 PolarHBondContact O-OG 2.87Å; S146-F149 PolarHBondContact O-N 2.69Å; S146-N150 PolarHBondContact O-N 3.34Å; S146-N150 PolarHBondContact O-ND2 3.23Å
147G98.8Very high98.6Very high5 Ų564.7 Ų64.75%0.05232%0.321CS..Hα-helixtrans-59.9-55.3176.700000111.8S145 F149 N150 L151S145-G147 PolarHBondContact O-N 2.57Å; G147-F149 VanDerWaalsContact C-N 3.26Å; G147-F149 PolarHBondContact O-N 2.92Å; G147-N150 PolarHBondContact O-N 3.4Å; G147-N150 VanDerWaalsContact O-N 3.11Å; G147-L151 WeakPolarHBondContact O-CG 3.42Å; G147-L151 PolarHBondContact O-N 3.19Å
148D98.5Very high98.6Very high73 Ų7366.8 Ų66.839%0.3932%0.322SS..Hα-helixtrans-59.4-35.8177.6-69.7-30.9000113.1S145 K152 L171S145-D148 PolarHBondContact O-N 3.24Å; D148-K152 WeakPolarHBondContact O-CE 3.32Å; D148-K152 WeakPolarHBondContact O-CG 3.39Å; D148-L171 WeakPolarHBondContact OD1-CD1 3.31Å
149F98.8Very high98.6Very high88 Ų8865.4 Ų65.439%0.38631%0.312SS..Hα-helixtrans-62.6-48.4175.2178.7-87.2000110.8I81 T82 P83 S145 S146 G147 K152I81-F149 HydrophobicContact CG2-CE1 4.44Å; T82-F149 HydrophobicContact CG2-CD1 3.96Å; P83-F149 HydrophobicContact CG-CD2 4.28Å; P83-F149 HydrophobicContact CG-CE2 4.03Å; P83-F149 HydrophobicContact CG-CZ 4.26Å; S145-F149 WeakPolarHBondContact O-CB 3.47Å; S145-F149 PolarHBondContact O-N 3.28Å; S145-F149 VanDerWaalsContact O-N 3.08Å; S146-F149 PolarHBondContact O-N 2.69Å; G147-F149 VanDerWaalsContact C-N 3.26Å; G147-F149 PolarHBondContact O-N 2.92Å; F149-K152 PolarHBondContact O-N 3.22Å
150N98.9Very high98.6Very high0 Ų064.8 Ų64.80%031%0.309CS..Hα-helixtrans-70.7-32.8-176.9-65.5-21.1000112.8Y60 T82 S146 G147 K152 S153 F156Y60-N150 PolarHBondContact O-ND2 3.21Å; T82-N150 PolarHBondContact OG1-OD1 3.41Å; S146-N150 PolarHBondContact O-N 3.34Å; S146-N150 PolarHBondContact O-ND2 3.23Å; G147-N150 PolarHBondContact O-N 3.4Å; G147-N150 VanDerWaalsContact O-N 3.11Å; N150-K152 PolarHBondContact O-N 3.45Å; N150-K152 VanDerWaalsContact O-N 3.11Å; N150-S153 WeakPolarHBondContact O-CB 3.32Å; N150-S153 PolarHBondContact O-N 2.64Å; N150-F156 HydrophobicContact CB-CD1 3.71Å; N150-F156 HydrophobicContact CB-CD2 3.78Å; N150-F156 HydrophobicContact CB-CE1 3.64Å; N150-F156 HydrophobicContact CB-CE2 3.69Å; N150-F156 HydrophobicContact CB-CG 3.79Å; N150-F156 HydrophobicContact CB-CZ 3.63Å; N150-F156 WeakPolarHBondContact O-CD1 3.24Å
151L98.8Very high98.7Very high40 Ų4063.7 Ų63.721%0.20931%0.313CS..THydrogen-bonded Turntrans-63-16177.3-72.8-178.6000114G147 S153 V164 I167 R168 L171G147-L151 WeakPolarHBondContact O-CG 3.42Å; G147-L151 PolarHBondContact O-N 3.19Å; L151-S153 VanDerWaalsContact C-N 3.32Å; L151-V164 HydrophobicContact CD2-CB 4.26Å; L151-V164 HydrophobicContact CD2-CG1 3.73Å; L151-V164 HydrophobicContact CD2-CG2 4.26Å; L151-I167 HydrophobicContact CD1-CG2 3.69Å; L151-I167 HydrophobicContact CD2-CG2 4.37Å; L151-I167 HydrophobicContact CG-CG2 3.94Å; L151-R168 HydrophobicContact CD1-CG 4.13Å; L151-R168 HydrophobicContact CD2-CG 4.41Å; L151-L171 HydrophobicContact CD1-CD1 3.84Å
152K98.7Very high98.6Very high175 Ų17559.7 Ų59.776%0.76131%0.309SS*.THydrogen-bonded Turntrans-83.8-10.1174.6-62.9168.3-171.5176.20112.9D148 F149 N150D148-K152 WeakPolarHBondContact O-CE 3.32Å; D148-K152 WeakPolarHBondContact O-CG 3.39Å; F149-K152 PolarHBondContact O-N 3.22Å; N150-K152 PolarHBondContact O-N 3.45Å; N150-K152 VanDerWaalsContact O-N 3.11Å
153S98.7Very high98.6Very high32 Ų3258.2 Ų58.222%0.22430%0.301CS..  trans-95.6115.8-177.4177.40000110N150 L151 I155 F156 C157N150-S153 WeakPolarHBondContact O-CB 3.32Å; N150-S153 PolarHBondContact O-N 2.64Å; L151-S153 VanDerWaalsContact C-N 3.32Å; S153-I155 PolarHBondContact O-N 2.85Å; S153-I155 WeakPolarHBondContact OG-CG2 3.42Å; S153-F156 PolarHBondContact O-N 3.42Å; S153-F156 PolarHBondContact OG-N 3.45Å; S153-C157 PolarHBondContact O-N 2.87Å; S153-C157 PolarHBondContact O-SG 3.29Å
154E98.5Very high98.7Very high163 Ų16358.5 Ų58.576%0.76230%0.302SS*.Hα-helixtrans-58.2-48.5178.1-176.6174.9-169.100111.5F156 C157 E158E154-F156 VanDerWaalsContact C-N 3.31Å; E154-F156 PolarHBondContact O-N 2.92Å; E154-C157 WeakPolarHBondContact O-CA 3.46Å; E154-C157 PolarHBondContact O-N 3.25Å; E154-E158 WeakPolarHBondContact O-CB 3.42Å; E154-E158 PolarHBondContact O-N 3.42Å
155I98.4Very high98.7Very high58 Ų5855.2 Ų55.230%0.29729%0.294SS..Hα-helixtrans-59.9-37.3177.5-169.8163000112.8L37 H45 S153 C157 L159L37-I155 HydrophobicContact CD2-CD1 3.7Å; L37-I155 HydrophobicContact CD2-CG1 4.02Å; H45-I155 WeakPolarHBondContact NE2-CD1 3.44Å; S153-I155 PolarHBondContact O-N 2.85Å; S153-I155 WeakPolarHBondContact OG-CG2 3.42Å; I155-C157 VanDerWaalsContact C-N 3.35Å; I155-L159 HydrophobicContact CG1-CD1 3.91Å; I155-L159 HydrophobicContact CG1-CG 4.46Å; I155-L159 WeakPolarHBondContact O-CB 3.3Å; I155-L159 VanDerWaalsContact O-CG 3.24Å; I155-L159 WeakPolarHBondContact O-CG 3.37Å; I155-L159 PolarHBondContact O-N 2.97Å; I155-L159 VanDerWaalsContact O-N 3.12Å
156F98.8Very high98.7Very high0 Ų055.2 Ų55.20%029%0.288CS..Hα-helixtrans-65.7-42.3173.3178.5-87.9000110.9V47 H62 N150 S153 E154 F160 I163 V164 I167V47-F156 HydrophobicContact CG1-CE2 4.22Å; V47-F156 HydrophobicContact CG2-CD2 4.12Å; V47-F156 HydrophobicContact CG2-CE2 3.49Å; V47-F156 VanDerWaalsContact CG2-CE2 3.49Å; V47-F156 HydrophobicContact CG2-CZ 4.33Å; H62-F156 HydrophobicContact CB-CD2 3.86Å; H62-F156 HydrophobicContact CB-CE2 4.17Å; H62-F156 AromaticContact CD2-CD2 3.96Å; H62-F156 AromaticContact CG-CD2 3.76Å; N150-F156 HydrophobicContact CB-CD1 3.71Å; N150-F156 HydrophobicContact CB-CD2 3.78Å; N150-F156 HydrophobicContact CB-CE1 3.64Å; N150-F156 HydrophobicContact CB-CE2 3.69Å; N150-F156 HydrophobicContact CB-CG 3.79Å; N150-F156 HydrophobicContact CB-CZ 3.63Å; N150-F156 WeakPolarHBondContact O-CD1 3.24Å; S153-F156 PolarHBondContact O-N 3.42Å; S153-F156 PolarHBondContact OG-N 3.45Å; E154-F156 VanDerWaalsContact C-N 3.31Å; E154-F156 PolarHBondContact O-N 2.92Å; F156-F160 AromaticContact CD2-CD2 3.88Å; F156-F160 HydrophobicContact CD2-CD2 3.88Å; F156-F160 HydrophobicContact CD2-CE2 4.47Å; F156-F160 HydrophobicContact CE2-CD2 4.16Å; F156-F160 HydrophobicContact CG-CD2 4.33Å; F156-F160 PolarHBondContact O-N 3.47Å; F156-I163 HydrophobicContact CZ-CG2 3.93Å; F156-V164 HydrophobicContact CD1-CG2 4.05Å; F156-V164 HydrophobicContact CE1-CG2 3.9Å; F156-I167 HydrophobicContact CE1-CD1 3.83Å; F156-I167 HydrophobicContact CZ-CD1 3.77Å
157C98.8Very high98.7Very high34 Ų3455.3 Ų55.323%0.2329%0.288CS..Hα-helixtrans-69.8-36.5-177-65.60000112.8S153 E154 I155 V164S153-C157 PolarHBondContact O-N 2.87Å; S153-C157 PolarHBondContact O-SG 3.29Å; E154-C157 WeakPolarHBondContact O-CA 3.46Å; E154-C157 PolarHBondContact O-N 3.25Å; I155-C157 VanDerWaalsContact C-N 3.35Å; C157-V164 HydrophobicContact CB-CG2 4.16Å
158E98.6Very high98.7Very high127 Ų12761.9 Ų61.959%0.59331%0.311SS*.Hα-helixtrans-67.5-48.4176-173.5-174.7168.200111.6E154E154-E158 WeakPolarHBondContact O-CB 3.42Å; E154-E158 PolarHBondContact O-N 3.42Å
159L98.7Very high98.7Very high21 Ų2163.4 Ų63.411%0.1132%0.316CS..Hα-helixtrans-78.9-29.4-173.7-63.9177.1000113.6E35 L37 H45 I155 P161E35-L159 HydrophobicContact CB-CD2 4.47Å; L37-L159 HydrophobicContact CD2-CD1 3.73Å; L37-L159 HydrophobicContact CD2-CD2 4.39Å; H45-L159 HydrophobicContact CB-CD1 3.63Å; I155-L159 HydrophobicContact CG1-CD1 3.91Å; I155-L159 HydrophobicContact CG1-CG 4.46Å; I155-L159 WeakPolarHBondContact O-CB 3.3Å; I155-L159 VanDerWaalsContact O-CG 3.24Å; I155-L159 WeakPolarHBondContact O-CG 3.37Å; I155-L159 PolarHBondContact O-N 2.97Å; I155-L159 VanDerWaalsContact O-N 3.12Å; L159-P161 WeakPolarHBondContact O-CD 3.5Å
160F98.8Very high98.6Very high5 Ų563.1 Ų63.12%0.02232%0.319CS..  trans-125.153.6-172.5-50.6-69.9000113.6T33 E35 H45 V47 H62 F156 G162 I163 V164T33-F160 HydrophobicContact CG2-CD1 4.08Å; T33-F160 HydrophobicContact CG2-CE1 4.21Å; E35-F160 HydrophobicContact CB-CE1 4.19Å; E35-F160 HydrophobicContact CG-CD1 4.41Å; E35-F160 HydrophobicContact CG-CE1 3.94Å; H45-F160 HydrophobicContact CB-CE2 3.9Å; H45-F160 HydrophobicContact CB-CZ 3.81Å; V47-F160 HydrophobicContact CG2-CD1 4.02Å; V47-F160 HydrophobicContact CG2-CD2 3.5Å; V47-F160 HydrophobicContact CG2-CE1 4.08Å; V47-F160 HydrophobicContact CG2-CE2 3.57Å; V47-F160 HydrophobicContact CG2-CG 3.74Å; V47-F160 HydrophobicContact CG2-CZ 3.87Å; H62-F160 AromaticContact CD2-CE2 3.92Å; H62-F160 AromaticContact NE2-CE2 3.88Å; F156-F160 AromaticContact CD2-CD2 3.88Å; F156-F160 HydrophobicContact CD2-CD2 3.88Å; F156-F160 HydrophobicContact CD2-CE2 4.47Å; F156-F160 HydrophobicContact CE2-CD2 4.16Å; F156-F160 HydrophobicContact CG-CD2 4.33Å; F156-F160 PolarHBondContact O-N 3.47Å; F160-G162 PolarHBondContact O-N 3.16Å; F160-G162 VanDerWaalsContact O-N 3.16Å; F160-I163 HydrophobicContact CB-CB 4.02Å; F160-I163 HydrophobicContact CB-CD1 4.1Å; F160-I163 HydrophobicContact CB-CG1 4.19Å; F160-I163 HydrophobicContact CD1-CD1 4.26Å; F160-I163 HydrophobicContact CG-CD1 4.33Å; F160-I163 PolarHBondContact O-N 3.32Å; F160-V164 WeakPolarHBondContact O-CG2 3.47Å; F160-V164 PolarHBondContact O-N 3.42Å
161P98.7Very high98.5Very high84 Ų8465 Ų6555%0.54533%0.329SS..Hα-helixtrans-59.7-32.7-175.824.8-34.9000113L159 V164 K165L159-P161 WeakPolarHBondContact O-CD 3.5Å; P161-V164 WeakPolarHBondContact O-CB 3.45Å; P161-V164 PolarHBondContact O-N 3.08Å; P161-K165 PolarHBondContact O-N 3.17Å
162G98.6Very high98.4Very high53 Ų5367.3 Ų67.355%0.54634%0.344SS..Hα-helixtrans-63.8-41.2174.100000113F160 K165 E166F160-G162 PolarHBondContact O-N 3.16Å; F160-G162 VanDerWaalsContact O-N 3.16Å; G162-K165 PolarHBondContact O-N 3.02Å; G162-E166 PolarHBondContact O-N 3.02Å; G162-E166 VanDerWaalsContact O-N 3.17Å
163I98.8Very high98.3Very high8 Ų861.7 Ų61.74%0.04133%0.33CS..Hα-helixtrans-73.2-37.4177.7-57.3-178.6000110.5T33 V47 Y60 F156 F160 K165 E166 I167T33-I163 HydrophobicContact CG2-CD1 4.43Å; V47-I163 HydrophobicContact CB-CD1 3.71Å; V47-I163 HydrophobicContact CG1-CD1 3.92Å; V47-I163 HydrophobicContact CG1-CG2 4.47Å; V47-I163 HydrophobicContact CG2-CD1 3.96Å; Y60-I163 HydrophobicContact CD1-CG2 3.57Å; Y60-I163 HydrophobicContact CE1-CG2 3.87Å; F156-I163 HydrophobicContact CZ-CG2 3.93Å; F160-I163 HydrophobicContact CB-CB 4.02Å; F160-I163 HydrophobicContact CB-CD1 4.1Å; F160-I163 HydrophobicContact CB-CG1 4.19Å; F160-I163 HydrophobicContact CD1-CD1 4.26Å; F160-I163 HydrophobicContact CG-CD1 4.33Å; F160-I163 PolarHBondContact O-N 3.32Å; I163-K165 VanDerWaalsContact C-N 3.3Å; I163-K165 PolarHBondContact O-N 3.22Å; I163-E166 WeakPolarHBondContact O-CB 3.49Å; I163-E166 PolarHBondContact O-N 3.21Å; I163-I167 HydrophobicContact CG2-CD1 3.89Å; I163-I167 HydrophobicContact CG2-CG1 4.28Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.41Å; I163-I167 PolarHBondContact O-N 2.97Å
164V98.9Very high98Very high8 Ų864.2 Ų64.25%0.04834%0.339CS..Hα-helixtrans-56.1-46.8172.7169.40000111.2L151 F156 C157 F160 P161 I167 R168L151-V164 HydrophobicContact CD2-CB 4.26Å; L151-V164 HydrophobicContact CD2-CG1 3.73Å; L151-V164 HydrophobicContact CD2-CG2 4.26Å; F156-V164 HydrophobicContact CD1-CG2 4.05Å; F156-V164 HydrophobicContact CE1-CG2 3.9Å; C157-V164 HydrophobicContact CB-CG2 4.16Å; F160-V164 WeakPolarHBondContact O-CG2 3.47Å; F160-V164 PolarHBondContact O-N 3.42Å; P161-V164 WeakPolarHBondContact O-CB 3.45Å; P161-V164 PolarHBondContact O-N 3.08Å; V164-I167 PolarHBondContact O-N 3.37Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 3.4Å
165K98.8Very high97.9Very high131 Ų13161.9 Ų61.957%0.5733%0.328SS*.Hα-helixtrans-59-49.3177-177.8-178.1170.8-175.40110.8P161 G162 I163 I167 R168 E169P161-K165 PolarHBondContact O-N 3.17Å; G162-K165 PolarHBondContact O-N 3.02Å; I163-K165 VanDerWaalsContact C-N 3.3Å; I163-K165 PolarHBondContact O-N 3.22Å; K165-I167 PolarHBondContact O-N 3.11Å; K165-R168 PolarHBondContact O-N 3.25Å; K165-E169 WeakPolarHBondContact CE-OE1 3.5Å; K165-E169 IonicContact NZ-OE1 3.06Å; K165-E169 WeakPolarHBondContact O-CG 3.38Å; K165-E169 PolarHBondContact O-N 3.48Å
166E98.7Very high97.8Very high54 Ų5464 Ų6425%0.25234%0.339SS..Hα-helixtrans-58.4-45.2177.7-177.2-171139.800112.6K49 Y60 G162 I163 R168 E169 N170K49-E166 IonicContact NZ-OE1 2.57Å; K49-E166 PolarHBondContact NZ-OE1 2.97Å; K49-E166 IonicContact NZ-OE2 3.92Å; K49-E166 PolarHBondContact NZ-OE2 3.39Å; Y60-E166 VanDerWaalsContact CE1-OE1 3.32Å; Y60-E166 WeakPolarHBondContact CE1-OE1 3.49Å; Y60-E166 PolarHBondContact OH-OE1 3.3Å; G162-E166 PolarHBondContact O-N 3.02Å; G162-E166 VanDerWaalsContact O-N 3.17Å; I163-E166 WeakPolarHBondContact O-CB 3.49Å; I163-E166 PolarHBondContact O-N 3.21Å; E166-R168 PolarHBondContact O-N 2.9Å; E166-E169 PolarHBondContact O-N 3.11Å; E166-N170 WeakPolarHBondContact O-CB 3.4Å; E166-N170 VanDerWaalsContact O-CG 3.32Å; E166-N170 PolarHBondContact O-N 3.03Å; E166-N170 PolarHBondContact O-ND2 3.39Å
167I98.8Very high97.7Very high2 Ų270.1 Ų70.11%0.0136%0.362CS..Hα-helixtrans-59.6-47.6177.5-68.9163.9000110.1Y60 L151 F156 I163 V164 K165 E169 N170 L171Y60-I167 HydrophobicContact CD1-CD1 4.13Å; Y60-I167 HydrophobicContact CD1-CG1 4.01Å; Y60-I167 HydrophobicContact CD2-CD1 4.14Å; Y60-I167 HydrophobicContact CD2-CG1 3.76Å; Y60-I167 HydrophobicContact CE1-CG1 3.92Å; Y60-I167 HydrophobicContact CE2-CG1 3.67Å; Y60-I167 HydrophobicContact CG-CD1 3.93Å; Y60-I167 HydrophobicContact CG-CG1 3.93Å; L151-I167 HydrophobicContact CD1-CG2 3.69Å; L151-I167 HydrophobicContact CD2-CG2 4.37Å; L151-I167 HydrophobicContact CG-CG2 3.94Å; F156-I167 HydrophobicContact CE1-CD1 3.83Å; F156-I167 HydrophobicContact CZ-CD1 3.77Å; I163-I167 HydrophobicContact CG2-CD1 3.89Å; I163-I167 HydrophobicContact CG2-CG1 4.28Å; I163-I167 VanDerWaalsContact O-CG1 3.3Å; I163-I167 WeakPolarHBondContact O-CG1 3.41Å; I163-I167 PolarHBondContact O-N 2.97Å; V164-I167 PolarHBondContact O-N 3.37Å; K165-I167 PolarHBondContact O-N 3.11Å; I167-E169 VanDerWaalsContact C-N 3.35Å; I167-E169 PolarHBondContact O-N 2.96Å; I167-N170 PolarHBondContact O-N 2.95Å; I167-L171 HydrophobicContact CG2-CD1 3.85Å; I167-L171 HydrophobicContact CG2-CG 4.32Å; I167-L171 VanDerWaalsContact O-CG 3.3Å; I167-L171 WeakPolarHBondContact O-CG 3.5Å; I167-L171 PolarHBondContact O-N 3.42Å
168R98.6Very high97.5Very high143 Ų14371.4 Ų71.454%0.5437%0.367SS..Hα-helixtrans-62.7-40.5-179.8-71.4174.4179.7168.91.9112.3L151 V164 K165 E166 T172L151-R168 HydrophobicContact CD1-CG 4.13Å; L151-R168 HydrophobicContact CD2-CG 4.41Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 3.4Å; K165-R168 PolarHBondContact O-N 3.25Å; E166-R168 PolarHBondContact O-N 2.9Å; R168-T172 WeakPolarHBondContact O-CB 3.34Å; R168-T172 PolarHBondContact O-N 3.31Å; R168-T172 PolarHBondContact O-OG1 3.33Å
169E98.5Very high97.3Very high105 Ų10571.9 Ų71.949%0.49137%0.367SS..Hα-helixtrans-62.9-44174.9-73.1172.6171.500111.2K165 E166 I167 T172 A173K165-E169 WeakPolarHBondContact CE-OE1 3.5Å; K165-E169 IonicContact NZ-OE1 3.06Å; K165-E169 WeakPolarHBondContact O-CG 3.38Å; K165-E169 PolarHBondContact O-N 3.48Å; E166-E169 PolarHBondContact O-N 3.11Å; I167-E169 VanDerWaalsContact C-N 3.35Å; I167-E169 PolarHBondContact O-N 2.96Å; E169-T172 PolarHBondContact O-N 3.12Å; E169-A173 WeakPolarHBondContact O-CB 3.19Å; E169-A173 PolarHBondContact O-N 2.85Å
170N96.6Very high97.1Very high83 Ų8375.8 Ų75.844%0.44439%0.388SS..Hα-helixtrans-64.5-41.7177.9-74.2-23.2000112.9Y60 E166 I167 A173 E174Y60-N170 PolarHBondContact OH-ND2 2.98Å; E166-N170 WeakPolarHBondContact O-CB 3.4Å; E166-N170 VanDerWaalsContact O-CG 3.32Å; E166-N170 PolarHBondContact O-N 3.03Å; E166-N170 PolarHBondContact O-ND2 3.39Å; I167-N170 PolarHBondContact O-N 2.95Å; N170-A173 PolarHBondContact O-N 3.31Å; N170-E174 WeakPolarHBondContact O-CB 3.4Å; N170-E174 PolarHBondContact O-N 3.44Å
171L95.8Very high96.9Very high40 Ų4081 Ų8121%0.20942%0.415CS..Hα-helixtrans-62.8-45.4175-69.3168.9000111.2D148 L151 I167 A173 E174 E175D148-L171 WeakPolarHBondContact OD1-CD1 3.31Å; L151-L171 HydrophobicContact CD1-CD1 3.84Å; I167-L171 HydrophobicContact CG2-CD1 3.85Å; I167-L171 HydrophobicContact CG2-CG 4.32Å; I167-L171 VanDerWaalsContact O-CG 3.3Å; I167-L171 WeakPolarHBondContact O-CG 3.5Å; I167-L171 PolarHBondContact O-N 3.42Å; L171-A173 VanDerWaalsContact C-N 3.34Å; L171-A173 PolarHBondContact O-N 2.78Å; L171-E174 PolarHBondContact O-N 3.27Å; L171-E175 WeakPolarHBondContact O-CG 3.26Å; L171-E175 PolarHBondContact O-N 3.02Å
172T97.5Very high96.4Very high87 Ų8782.7 Ų82.753%0.53442%0.42SS..Hα-helixtrans-61.8-42.9178.1-550000111.3R168 E169 E175 L176R168-T172 WeakPolarHBondContact O-CB 3.34Å; R168-T172 PolarHBondContact O-N 3.31Å; R168-T172 PolarHBondContact O-OG1 3.33Å; E169-T172 PolarHBondContact O-N 3.12Å; T172-E175 PolarHBondContact O-N 3.4Å; T172-L176 WeakPolarHBondContact O-CB 3.49Å; T172-L176 PolarHBondContact O-N 3.24Å
173A96.6Very high95.8Very high57 Ų5784.4 Ų84.447%0.47142%0.423SS..Hα-helixtrans-64.5-39.7176.900000112E169 N170 L171 L176 R177E169-A173 WeakPolarHBondContact O-CB 3.19Å; E169-A173 PolarHBondContact O-N 2.85Å; N170-A173 PolarHBondContact O-N 3.31Å; L171-A173 VanDerWaalsContact C-N 3.34Å; L171-A173 PolarHBondContact O-N 2.78Å; A173-L176 PolarHBondContact O-N 3.45Å; A173-R177 WeakPolarHBondContact O-CB 3.46Å; A173-R177 PolarHBondContact O-N 3.24Å
174E93.6Very high94.6Very high85 Ų8587.9 Ų87.940%0.39745%0.448SS..Hα-helixtrans-65.7-44.1175.2174.2154.2-142.900112.2N170 L171 L176 R177 N178N170-E174 WeakPolarHBondContact O-CB 3.4Å; N170-E174 PolarHBondContact O-N 3.44Å; L171-E174 PolarHBondContact O-N 3.27Å; E174-L176 PolarHBondContact O-N 3.46Å; E174-R177 PolarHBondContact O-N 3.05Å; E174-R177 IonicContact OE1-NH2 3.72Å; E174-R177 PolarHBondContact OE1-NH2 3.39Å; E174-N178 WeakPolarHBondContact O-CB 3.3Å; E174-N178 PolarHBondContact O-N 3.35Å; E174-N178 PolarHBondContact O-ND2 3.44Å
175E94.6Very high93Very high114 Ų11492.4 Ų92.453%0.53348%0.476SS..Hα-helixtrans-59.2-45.3174.9-73.4179.8179.600112L171 T172 N178 K179L171-E175 WeakPolarHBondContact O-CG 3.26Å; L171-E175 PolarHBondContact O-N 3.02Å; T172-E175 PolarHBondContact O-N 3.4Å; E175-N178 PolarHBondContact O-N 2.95Å; E175-K179 WeakPolarHBondContact O-CG 3.12Å; E175-K179 PolarHBondContact O-N 2.93Å
176L96.8Very high91.1Very high102 Ų10291.4 Ų91.453%0.53448%0.483SS..Hα-helixtrans-62.1-46.1177.1179.861.1000111.3T172 A173 E174 N178 K179 L180T172-L176 WeakPolarHBondContact O-CB 3.49Å; T172-L176 PolarHBondContact O-N 3.24Å; A173-L176 PolarHBondContact O-N 3.45Å; E174-L176 PolarHBondContact O-N 3.46Å; L176-N178 VanDerWaalsContact C-N 3.31Å; L176-N178 PolarHBondContact O-N 2.97Å; L176-K179 PolarHBondContact O-N 3.43Å; L176-L180 HydrophobicContact CG-CD1 4.33Å; L176-L180 WeakPolarHBondContact O-CG 3.4Å; L176-L180 PolarHBondContact O-N 3.42Å
177R96.5Very high88.9Confident129 Ų129100.2 Ų100.249%0.48751%0.514SS..Hα-helixtrans-57.8-44176.5-177.6179.258.565.61111.5A173 E174 L180 L181A173-R177 WeakPolarHBondContact O-CB 3.46Å; A173-R177 PolarHBondContact O-N 3.24Å; E174-R177 PolarHBondContact O-N 3.05Å; E174-R177 IonicContact OE1-NH2 3.72Å; E174-R177 PolarHBondContact OE1-NH2 3.39Å; R177-L180 PolarHBondContact O-N 3.44Å; R177-L181 PolarHBondContact O-N 3.47Å
178N94.6Very high86.9Confident61 Ų61108.5 Ų108.533%0.32655%0.552SS.*Hα-helixtrans-68-36.3179.7-68.4-24.4000112.1E174 E175 L176 L181 N182E174-N178 WeakPolarHBondContact O-CB 3.3Å; E174-N178 PolarHBondContact O-N 3.35Å; E174-N178 PolarHBondContact O-ND2 3.44Å; E175-N178 PolarHBondContact O-N 2.95Å; L176-N178 VanDerWaalsContact C-N 3.31Å; L176-N178 PolarHBondContact O-N 2.97Å; N178-L181 PolarHBondContact O-N 2.91Å; N178-N182 VanDerWaalsContact O-CG 3.23Å; N178-N182 PolarHBondContact O-N 3.24Å; N178-N182 VanDerWaalsContact O-N 3.16Å; N178-N182 PolarHBondContact O-ND2 3.04Å
179K94.9Very high84.6Confident138 Ų138106.6 Ų106.660%0.656%0.561SS**Hα-helixtrans-62.6-45173.5-73.8171.2-176.2169.90111.9E175 L176 N182 S183E175-K179 WeakPolarHBondContact O-CG 3.12Å; E175-K179 PolarHBondContact O-N 2.93Å; L176-K179 PolarHBondContact O-N 3.43Å; K179-N182 PolarHBondContact O-N 2.93Å; K179-S183 PolarHBondContact O-N 2.96Å; K179-S183 VanDerWaalsContact O-N 3.11Å; K179-S183 PolarHBondContact O-OG 2.98Å
180L94.8Very high82.3Confident103 Ų103111 Ų11154%0.53958%0.582SS.*Hα-helixtrans-64.8-39.4178.5-69.4172.2000112.7L176 R177 N182 S183 S184L176-L180 HydrophobicContact CG-CD1 4.33Å; L176-L180 WeakPolarHBondContact O-CG 3.4Å; L176-L180 PolarHBondContact O-N 3.42Å; R177-L180 PolarHBondContact O-N 3.44Å; L180-N182 VanDerWaalsContact C-N 3.34Å; L180-S183 PolarHBondContact O-N 2.94Å; L180-S183 PolarHBondContact O-OG 2.86Å; L180-S183 VanDerWaalsContact O-OG 3.05Å; L180-S184 PolarHBondContact O-N 3.29Å; L180-S184 PolarHBondContact O-OG 3.02Å
181L93.6Very high79.9Confident113 Ų113111.9 Ų111.959%0.59259%0.594SS**Hα-helixtrans-65.6-38.6177.9-166.773.3000111.8R177 N178 S184R177-L181 PolarHBondContact O-N 3.47Å; N178-L181 PolarHBondContact O-N 2.91Å; L181-S184 PolarHBondContact O-OG 3.49Å
182N89.2Confident77.4Confident121 Ų121117 Ų11765%0.64762%0.621SS**Hα-helixtrans-73.8-31.8179.8-67.7-22.6000112.6N178 K179 L180N178-N182 VanDerWaalsContact O-CG 3.23Å; N178-N182 PolarHBondContact O-N 3.24Å; N178-N182 VanDerWaalsContact O-N 3.16Å; N178-N182 PolarHBondContact O-ND2 3.04Å; K179-N182 PolarHBondContact O-N 2.93Å; L180-N182 VanDerWaalsContact C-N 3.34Å
183S86.3Confident74.6Confident88 Ų88117.6 Ų117.662%0.61564%0.636SS**Hα-helixtrans-77.5-22.1178.664.20000114K179 L180 T185K179-S183 PolarHBondContact O-N 2.96Å; K179-S183 VanDerWaalsContact O-N 3.11Å; K179-S183 PolarHBondContact O-OG 2.98Å; L180-S183 PolarHBondContact O-N 2.94Å; L180-S183 PolarHBondContact O-OG 2.86Å; L180-S183 VanDerWaalsContact O-OG 3.05Å; S183-T185 VanDerWaalsContact C-N 3.33Å
184S72.8Confident72.3Confident82 Ų82120.6 Ų120.657%0.57365%0.653SS**THydrogen-bonded Turntrans-88.36.8-179.939.70000114.3L180 L181 P186L180-S184 PolarHBondContact O-N 3.29Å; L180-S184 PolarHBondContact O-OG 3.02Å; L181-S184 PolarHBondContact O-OG 3.49Å; S184-P186 WeakPolarHBondContact O-CD 3.34Å
185T64.6Low69.6Low103 Ų103122.3 Ų122.363%0.63267%0.669SS**SBendtrans-68.6118.7170.7-55.50000109.2S183 R187S183-T185 VanDerWaalsContact C-N 3.33Å; T185-R187 PolarHBondContact O-N 2.92Å; T185-R187 VanDerWaalsContact O-N 3.14Å
186P59.1Low66.9Low109 Ų109124.1 Ų124.171%0.70868%0.683SS**  trans-58.3121.8-175.8-21.931.7000110.7S184 Q188S184-P186 WeakPolarHBondContact O-CD 3.34Å; P186-Q188 VanDerWaalsContact C-N 3.33Å; P186-Q188 PolarHBondContact O-N 3.06Å
187R53.9Low64.1Low240 Ų240126.8 Ų126.891%0.90670%0.698SS**  trans-61.3101.3162.1-171.6179.7-99.1-124.11.4105.3T185 S189T185-R187 PolarHBondContact O-N 2.92Å; T185-R187 VanDerWaalsContact O-N 3.14Å; R187-S189 VanDerWaalsContact C-N 3.34Å; R187-S189 PolarHBondContact O-N 3.23Å
188Q56.2Low61.2Low175 Ų175126.4 Ų126.482%0.81872%0.715SS**  trans-53.3102.2174.1-78.3179.4-34.300107.7P186 Q190P186-Q188 VanDerWaalsContact C-N 3.33Å; P186-Q188 PolarHBondContact O-N 3.06Å; Q188-Q190 PolarHBondContact O-N 3.34Å; Q188-Q190 VanDerWaalsContact O-N 3.15Å
189S50.6Low58.4Low104 Ų104127 Ų12773%0.72774%0.735SS**  trans-63.3111.4168.145.80000106.6R187 S191R187-S189 VanDerWaalsContact C-N 3.34Å; R187-S189 PolarHBondContact O-N 3.23Å; S189-S191 PolarHBondContact O-N 2.96Å
190Q50Low55.6Low198 Ų198126.6 Ų126.693%0.92574%0.744SS**  trans-57.6103.9166.3-73172.6-16.900107.4Q188Q188-Q190 PolarHBondContact O-N 3.34Å; Q188-Q190 VanDerWaalsContact O-N 3.15Å
191S46.5Very low52.9Low100 Ų100128.4 Ų128.470%0.69975%0.754SS**  trans-119.799.8160.558.60000107.1S189S189-S191 PolarHBondContact O-N 2.96Å
192D42.6Very low50.3Low147 Ų147127 Ų12779%0.78677%0.767SS**  trans43.6107.1145.7-54.2-27.3000119S194D192-S194 PolarHBondContact O-N 3Å
193A38.2Very low48.2Very low101 Ų101129.3 Ų129.384%0.83577%0.774SS**  trans6.998.1142.200000115.9
194S49.5Very low46.3Very low119 Ų119128.7 Ų128.783%0.83276%0.764SS**  trans-134.8109.2149.6-74.10000108.4D192D192-S194 PolarHBondContact O-N 3Å
195T36.1Very low45.4Very low121 Ų121135 Ų13574%0.74278%0.775SS**  trans-54149178.4-52.30000112.1
196N37.4Very low44.9Very low153 Ų153135.5 Ų135.582%0.81877%0.774SS**  trans84.998.5168.2-55.4-27.6000117.1
197N39.6Very low44.8Very low158 Ų158136.1 Ų136.185%0.84577%0.768SS**  -160.5134.3108.9-150.5-0.3000111.4G199N197-G199 PolarHBondContact O-N 3.43Å; N197-G199 VanDerWaalsContact O-N 3.08Å
198S35.4Very low44.8Very low121 Ų121133 Ų13385%0.84676%0.756SS**  trans-7194.2173.2-44.70000108.7
199G35.8Very low45Very low72 Ų72134.1 Ų134.174%0.74275%0.753SS**  trans-123.596.8178.600000110.7N197N197-G199 PolarHBondContact O-N 3.43Å; N197-G199 VanDerWaalsContact O-N 3.08Å
200V35.4Very low45.7Very low131 Ų131134.3 Ų134.379%0.79474%0.744SS**  trans-61.4137.9172.8168.40000110.7
201N38.2Very low46.9Very low140 Ų140127.3 Ų127.375%0.74972%0.717SS**  trans129.559.7162.9-71.7-17.8000113.2E203N201-E203 VanDerWaalsContact C-N 3.32Å; N201-E203 PolarHBondContact O-N 2.9Å
202G39.2Very low48.5Very low85 Ų85128.5 Ų128.588%0.87671%0.71SS**  trans-88.768.5162.500000110.6N204G202-N204 PolarHBondContact O-N 3.42Å; G202-N204 VanDerWaalsContact O-N 3.15Å
203E43.9Very low50.4Low168 Ų168126.5 Ų126.579%0.78570%0.699SS**  trans-60.7114.1168.9-94.9178.4117.100110.4N201 R205N201-E203 VanDerWaalsContact C-N 3.32Å; N201-E203 PolarHBondContact O-N 2.9Å; E203-R205 PolarHBondContact O-N 3.1Å
204N47.6Very low52.8Low75 Ų75128.3 Ų128.340%0.40169%0.688SS.*  trans64.742.4133.4-96.9-18.8000121.3G202 N206 E207G202-N204 PolarHBondContact O-N 3.42Å; G202-N204 VanDerWaalsContact O-N 3.15Å; N204-N206 PolarHBondContact O-N 2.91Å; N204-E207 HydrophobicContact CB-CB 4.17Å; N204-E207 PolarHBondContact ND2-OE1 2.76Å; N204-E207 PolarHBondContact ND2-OE2 2.83Å; N204-E207 VanDerWaalsContact ND2-OE2 3.1Å; N204-E207 WeakPolarHBondContact OD1-CB 3.34Å; N204-E207 WeakPolarHBondContact OD1-CG 3.33Å
205R54.3Low54.5Low214 Ų214126.8 Ų126.881%0.80867%0.673SS**Hα-helixtrans-69.4-19.7154.8-72.8-172.3173.5-172.3-0.9113.4E203E203-R205 PolarHBondContact O-N 3.1Å
206N54.1Low57.2Low115 Ų115126.7 Ų126.762%0.61567%0.667SS**Hα-helixtrans-79.5-36.9-177.3-53.3-18.6000111.4N204 W208 R209 I210N204-N206 PolarHBondContact O-N 2.91Å; N206-W208 PolarHBondContact O-N 3.31Å; N206-R209 PolarHBondContact O-N 3.49Å; N206-I210 HydrophobicContact CB-CD1 4.35Å; N206-I210 VanDerWaalsContact O-CG1 3.24Å; N206-I210 WeakPolarHBondContact O-CG1 3.13Å; N206-I210 PolarHBondContact O-N 3.01Å
207E56.2Low59.9Low122 Ų122123.3 Ų123.357%0.5765%0.649SS**Hα-helixtrans-59.7-41.6-179.2-99.4-174.7-15700113.3N204 R209 I210 S211N204-E207 HydrophobicContact CB-CB 4.17Å; N204-E207 PolarHBondContact ND2-OE1 2.76Å; N204-E207 PolarHBondContact ND2-OE2 2.83Å; N204-E207 VanDerWaalsContact ND2-OE2 3.1Å; N204-E207 WeakPolarHBondContact OD1-CB 3.34Å; N204-E207 WeakPolarHBondContact OD1-CG 3.33Å; E207-R209 VanDerWaalsContact C-N 3.33Å; E207-R209 PolarHBondContact O-N 3.11Å; E207-I210 PolarHBondContact O-N 3.4Å; E207-S211 WeakPolarHBondContact O-CB 3.3Å; E207-S211 PolarHBondContact O-N 3.05Å
208W54.9Low62.5Low175 Ų175119.4 Ų119.466%0.66363%0.63SS**Hα-helixtrans-69-30.4179-177.7-97.4000113.3N206 S211N206-W208 PolarHBondContact O-N 3.31Å; W208-S211 PolarHBondContact O-OG 3.24Å
209R59.8Low65.2Low198 Ų198120.9 Ų120.975%0.74762%0.622SS**Hα-helixtrans-75.4-40.2175.1-68.6-173.768-168.7-0111.3N206 E207 S211 L213N206-R209 PolarHBondContact O-N 3.49Å; E207-R209 VanDerWaalsContact C-N 3.33Å; E207-R209 PolarHBondContact O-N 3.11Å; R209-S211 VanDerWaalsContact C-N 3.33Å; R209-L213 PolarHBondContact O-N 3.44Å; R209-L213 VanDerWaalsContact O-N 3.14Å
210I65.1Low67.9Low108 Ų108121.4 Ų121.455%0.55461%0.614SS**Hα-helixtrans-66-38.1177.6-63.8165.7000110.1N206 E207 K212 L213 F214N206-I210 HydrophobicContact CB-CD1 4.35Å; N206-I210 VanDerWaalsContact O-CG1 3.24Å; N206-I210 WeakPolarHBondContact O-CG1 3.13Å; N206-I210 PolarHBondContact O-N 3.01Å; E207-I210 PolarHBondContact O-N 3.4Å; I210-K212 PolarHBondContact O-N 3.48Å; I210-L213 PolarHBondContact O-N 3.28Å; I210-F214 VanDerWaalsContact O-CB 3.27Å; I210-F214 WeakPolarHBondContact O-CB 3.39Å; I210-F214 PolarHBondContact O-N 3.41Å
211S76Confident70.8Confident50 Ų50119.7 Ų119.735%0.3560%0.6SS.*Hα-helixtrans-63-44.5178.974.30000112.8E207 W208 R209 F214 V215E207-S211 WeakPolarHBondContact O-CB 3.3Å; E207-S211 PolarHBondContact O-N 3.05Å; W208-S211 PolarHBondContact O-OG 3.24Å; R209-S211 VanDerWaalsContact C-N 3.33Å; S211-F214 PolarHBondContact O-N 2.94Å; S211-V215 WeakPolarHBondContact O-CG2 2.93Å; S211-V215 PolarHBondContact O-N 3.37Å
212K79.1Confident73.5Confident125 Ų125119.4 Ų119.454%0.54359%0.592SS.*Hα-helixtrans-64.8-42.8175.4-72.7-167.8177-171.60112.1I210 F214 V215 L216I210-K212 PolarHBondContact O-N 3.48Å; K212-F214 VanDerWaalsContact C-N 3.32Å; K212-F214 PolarHBondContact O-N 3.35Å; K212-V215 PolarHBondContact O-N 2.94Å; K212-L216 WeakPolarHBondContact O-CG 3.38Å; K212-L216 PolarHBondContact O-N 3.39Å; K212-L216 VanDerWaalsContact O-N 3.11Å
213L83.2Confident76.1Confident106 Ų106117.5 Ų117.556%0.55557%0.568SS**Hα-helixtrans-64.2-39.7178.5-168.667.8000111.1R209 I210 L216 I217R209-L213 PolarHBondContact O-N 3.44Å; R209-L213 VanDerWaalsContact O-N 3.14Å; I210-L213 PolarHBondContact O-N 3.28Å; L213-L216 PolarHBondContact O-N 3.47Å; L213-I217 HydrophobicContact CD2-CD1 4.45Å; L213-I217 HydrophobicContact CG-CD1 3.9Å; L213-I217 WeakPolarHBondContact O-CB 3.33Å; L213-I217 WeakPolarHBondContact O-CD1 3.47Å; L213-I217 VanDerWaalsContact O-CG1 3.22Å; L213-I217 WeakPolarHBondContact O-CG1 3.47Å; L213-I217 PolarHBondContact O-N 3.49Å
214F87Confident78.6Confident138 Ų138115.7 Ų115.761%0.60556%0.558SS**Hα-helixtrans-63.7-45.9177.5-166.4-93.8000112I210 S211 K212 L216 I217 V218I210-F214 VanDerWaalsContact O-CB 3.27Å; I210-F214 WeakPolarHBondContact O-CB 3.39Å; I210-F214 PolarHBondContact O-N 3.41Å; S211-F214 PolarHBondContact O-N 2.94Å; K212-F214 VanDerWaalsContact C-N 3.32Å; K212-F214 PolarHBondContact O-N 3.35Å; F214-L216 VanDerWaalsContact C-N 3.32Å; F214-L216 PolarHBondContact O-N 3.32Å; F214-I217 PolarHBondContact O-N 2.96Å; F214-V218 HydrophobicContact CD1-CG2 4.03Å; F214-V218 HydrophobicContact CE1-CG2 3.78Å; F214-V218 HydrophobicContact CZ-CG2 4.28Å; F214-V218 WeakPolarHBondContact O-CG2 3.37Å; F214-V218 PolarHBondContact O-N 2.98Å
215V86.7Confident80.8Confident87 Ų87116.5 Ų116.553%0.52756%0.561SS.*Hα-helixtrans-60.9-41.3176.8173.60000111.4S211 K212 F219S211-V215 WeakPolarHBondContact O-CG2 2.93Å; S211-V215 PolarHBondContact O-N 3.37Å; K212-V215 PolarHBondContact O-N 2.94Å; V215-F219 PolarHBondContact O-N 2.98Å
216L91.1Very high82.6Confident119 Ų119109.4 Ų109.462%0.62354%0.542SS*.Hα-helixtrans-67.4-39.9177.6-69.6174.1000112.4K212 L213 F214 F219 S220K212-L216 WeakPolarHBondContact O-CG 3.38Å; K212-L216 PolarHBondContact O-N 3.39Å; K212-L216 VanDerWaalsContact O-N 3.11Å; L213-L216 PolarHBondContact O-N 3.47Å; F214-L216 VanDerWaalsContact C-N 3.32Å; F214-L216 PolarHBondContact O-N 3.32Å; L216-F219 PolarHBondContact O-N 3.42Å; L216-S220 WeakPolarHBondContact O-CB 3.42Å; L216-S220 PolarHBondContact O-N 3.49Å
217I94.2Very high84.3Confident83 Ų83110.2 Ų110.243%0.42654%0.542SS..Hα-helixtrans-64-45.9176.6-71.3166.3000110.4L213 F214 F219 S220 I221L213-I217 HydrophobicContact CD2-CD1 4.45Å; L213-I217 HydrophobicContact CG-CD1 3.9Å; L213-I217 WeakPolarHBondContact O-CB 3.33Å; L213-I217 WeakPolarHBondContact O-CD1 3.47Å; L213-I217 VanDerWaalsContact O-CG1 3.22Å; L213-I217 WeakPolarHBondContact O-CG1 3.47Å; L213-I217 PolarHBondContact O-N 3.49Å; F214-I217 PolarHBondContact O-N 2.96Å; I217-F219 VanDerWaalsContact C-N 3.34Å; I217-F219 PolarHBondContact O-N 2.78Å; I217-S220 PolarHBondContact O-N 3.42Å; I217-I221 HydrophobicContact CG2-CD1 3.68Å; I217-I221 HydrophobicContact CG2-CG1 4.36Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.46Å; I217-I221 PolarHBondContact O-N 3.36Å
218V94.4Very high86Confident76 Ų76107.6 Ų107.646%0.46153%0.531SS..Hα-helixtrans-61.1-43.5177.9172.50000111.1F214 I221 F222F214-V218 HydrophobicContact CD1-CG2 4.03Å; F214-V218 HydrophobicContact CE1-CG2 3.78Å; F214-V218 HydrophobicContact CZ-CG2 4.28Å; F214-V218 WeakPolarHBondContact O-CG2 3.37Å; F214-V218 PolarHBondContact O-N 2.98Å; V218-I221 PolarHBondContact O-N 3.37Å; V218-F222 WeakPolarHBondContact O-CB 3.27Å; V218-F222 PolarHBondContact O-N 2.96Å
219F93.2Very high87.7Confident152 Ų152103.1 Ų103.167%0.66752%0.523SS*.Hα-helixtrans-62.5-42.8176.1-117.1-87.1000112.3V215 L216 I217 F222 A223V215-F219 PolarHBondContact O-N 2.98Å; L216-F219 PolarHBondContact O-N 3.42Å; I217-F219 VanDerWaalsContact C-N 3.34Å; I217-F219 PolarHBondContact O-N 2.78Å; F219-F222 PolarHBondContact O-N 3.14Å; F219-A223 WeakPolarHBondContact O-CB 3.34Å; F219-A223 PolarHBondContact O-N 3.16Å
220S92.1Very high89.1Confident83 Ų8399.1 Ų99.158%0.5851%0.514SS*.Hα-helixtrans-68.5-38.1-179.3-155.80000112.1L216 I217 F224L216-S220 WeakPolarHBondContact O-CB 3.42Å; L216-S220 PolarHBondContact O-N 3.49Å; I217-S220 PolarHBondContact O-N 3.42Å; S220-F224 WeakPolarHBondContact O-CB 3.22Å; S220-F224 PolarHBondContact O-N 3.18Å
221I95.8Very high90.1Very high95 Ų95103.4 Ų103.449%0.48752%0.523SS..Hα-helixtrans-65.7-45.6174.4-69168.8000110.3I217 V218 F224 L225I217-I221 HydrophobicContact CG2-CD1 3.68Å; I217-I221 HydrophobicContact CG2-CG1 4.36Å; I217-I221 VanDerWaalsContact O-CG1 3.3Å; I217-I221 WeakPolarHBondContact O-CG1 3.46Å; I217-I221 PolarHBondContact O-N 3.36Å; V218-I221 PolarHBondContact O-N 3.37Å; I221-F224 PolarHBondContact O-N 2.9Å; I221-L225 HydrophobicContact CG2-CD1 3.97Å; I221-L225 HydrophobicContact CG2-CG 4.33Å; I221-L225 WeakPolarHBondContact O-CB 3.48Å; I221-L225 WeakPolarHBondContact O-CG 3.38Å; I221-L225 PolarHBondContact O-N 3.06Å
222F95Very high90.4Very high134 Ų134108.8 Ų108.859%0.58854%0.541SS*.Hα-helixtrans-61.7-46.8178.6179.5-98.5000111.9V218 F219 F224 L225 V226V218-F222 WeakPolarHBondContact O-CB 3.27Å; V218-F222 PolarHBondContact O-N 2.96Å; F219-F222 PolarHBondContact O-N 3.14Å; F222-F224 VanDerWaalsContact C-N 3.3Å; F222-F224 PolarHBondContact O-N 3.34Å; F222-L225 PolarHBondContact O-N 3.39Å; F222-V226 HydrophobicContact CD1-CG2 4.3Å; F222-V226 HydrophobicContact CE1-CG2 3.86Å; F222-V226 HydrophobicContact CE2-CG2 4.27Å; F222-V226 HydrophobicContact CZ-CG2 3.84Å; F222-V226 WeakPolarHBondContact O-CG2 3.35Å; F222-V226 PolarHBondContact O-N 3.19Å
223A94.7Very high90.4Very high44 Ų44108.8 Ų108.836%0.36455%0.546SS..Hα-helixtrans-59.5-42.3176.300000111.8F219 V226 Q227F219-A223 WeakPolarHBondContact O-CB 3.34Å; F219-A223 PolarHBondContact O-N 3.16Å; A223-V226 PolarHBondContact O-N 3.4Å; A223-Q227 WeakPolarHBondContact O-CB 3.5Å; A223-Q227 PolarHBondContact O-N 3.5Å; A223-Q227 PolarHBondContact O-OE1 3.15Å
224F95.4Very high90Very high131 Ų131110.3 Ų110.358%0.57555%0.55SS**Hα-helixtrans-65.9-41177-169.4-93.9000112.5S220 I221 F222 Q227 L228S220-F224 WeakPolarHBondContact O-CB 3.22Å; S220-F224 PolarHBondContact O-N 3.18Å; I221-F224 PolarHBondContact O-N 2.9Å; F222-F224 VanDerWaalsContact C-N 3.3Å; F222-F224 PolarHBondContact O-N 3.34Å; F224-Q227 PolarHBondContact O-N 3.04Å; F224-L228 VanDerWaalsContact O-CB 3.26Å; F224-L228 WeakPolarHBondContact O-CB 3.19Å; F224-L228 PolarHBondContact O-N 3.42Å
225L94.4Very high89.3Confident92 Ų92109.6 Ų109.648%0.48256%0.56SS.*Hα-helixtrans-63.9-42.1175.8-74.3173.4000111.8I221 F222 L228 V229I221-L225 HydrophobicContact CG2-CD1 3.97Å; I221-L225 HydrophobicContact CG2-CG 4.33Å; I221-L225 WeakPolarHBondContact O-CB 3.48Å; I221-L225 WeakPolarHBondContact O-CG 3.38Å; I221-L225 PolarHBondContact O-N 3.06Å; F222-L225 PolarHBondContact O-N 3.39Å; L225-L228 PolarHBondContact O-N 3.38Å; L225-V229 VanDerWaalsContact O-CG2 3.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.24Å; L225-V229 PolarHBondContact O-N 3.11Å
226V92.6Very high88.1Confident65 Ų65117 Ų11739%0.39459%0.593SS.*Hα-helixtrans-61.5-47.4173.6172.20000110.2F222 A223 L228 V229 M230F222-V226 HydrophobicContact CD1-CG2 4.3Å; F222-V226 HydrophobicContact CE1-CG2 3.86Å; F222-V226 HydrophobicContact CE2-CG2 4.27Å; F222-V226 HydrophobicContact CZ-CG2 3.84Å; F222-V226 WeakPolarHBondContact O-CG2 3.35Å; F222-V226 PolarHBondContact O-N 3.19Å; A223-V226 PolarHBondContact O-N 3.4Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 2.69Å; V226-V229 PolarHBondContact O-N 3.33Å; V226-M230 HydrophobicContact CG1-CG 4.19Å; V226-M230 WeakPolarHBondContact O-CB 3.36Å; V226-M230 WeakPolarHBondContact O-CG 3.46Å; V226-M230 PolarHBondContact O-N 3.08Å
227Q89.2Confident88Confident131 Ų131116.9 Ų116.961%0.61259%0.592SS**Hα-helixtrans-63.1-36177.3-83.4168.4-38.800112.9A223 F224 R231A223-Q227 WeakPolarHBondContact O-CB 3.5Å; A223-Q227 PolarHBondContact O-N 3.5Å; A223-Q227 PolarHBondContact O-OE1 3.15Å; F224-Q227 PolarHBondContact O-N 3.04Å; Q227-R231 VanDerWaalsContact O-CB 3.31Å; Q227-R231 WeakPolarHBondContact O-CB 3.45Å; Q227-R231 PolarHBondContact O-N 3.23Å
228L92.8Very high87.7Confident68 Ų68118.6 Ų118.636%0.35660%0.601SS.*Hα-helixtrans-64.8-49175.2-171.665000110.9F224 L225 V226 R231 F232F224-L228 VanDerWaalsContact O-CB 3.26Å; F224-L228 WeakPolarHBondContact O-CB 3.19Å; F224-L228 PolarHBondContact O-N 3.42Å; L225-L228 PolarHBondContact O-N 3.38Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 2.69Å; L228-R231 PolarHBondContact O-N 2.93Å; L228-F232 HydrophobicContact CD1-CD2 4.22Å; L228-F232 HydrophobicContact CD1-CE2 3.62Å; L228-F232 HydrophobicContact CD2-CE2 4.5Å; L228-F232 HydrophobicContact CG-CD2 4.06Å; L228-F232 HydrophobicContact CG-CE2 3.76Å; L228-F232 WeakPolarHBondContact O-CD2 3.43Å; L228-F232 PolarHBondContact O-N 3.14Å; L228-F232 VanDerWaalsContact O-N 3.12Å
229V90.6Very high87.3Confident80 Ų80121 Ų12149%0.48561%0.608SS.*Hα-helixtrans-62-46.8177.5170.90000110.8L225 V226 R231 F232 L233L225-V229 VanDerWaalsContact O-CG2 3.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.24Å; L225-V229 PolarHBondContact O-N 3.11Å; V226-V229 PolarHBondContact O-N 3.33Å; V229-R231 PolarHBondContact O-N 3.27Å; V229-F232 PolarHBondContact O-N 3.05Å; V229-L233 HydrophobicContact CG1-CD1 3.82Å; V229-L233 HydrophobicContact CG1-CG 4.22Å; V229-L233 WeakPolarHBondContact O-CG 3.45Å; V229-L233 PolarHBondContact O-N 3.46Å
230M87.5Confident86.9Confident115 Ų115119.2 Ų119.257%0.56761%0.605SS**Hα-helixtrans-58.7-38.8177.9-69.3-59.8-67.300111.6V226 F232 L233 E234V226-M230 HydrophobicContact CG1-CG 4.19Å; V226-M230 WeakPolarHBondContact O-CB 3.36Å; V226-M230 WeakPolarHBondContact O-CG 3.46Å; V226-M230 PolarHBondContact O-N 3.08Å; M230-F232 VanDerWaalsContact C-N 3.32Å; M230-F232 PolarHBondContact O-N 3.15Å; M230-L233 PolarHBondContact O-N 3.02Å; M230-E234 PolarHBondContact O-N 2.81Å
231R86.3Confident86.6Confident197 Ų197121.4 Ų121.474%0.74361%0.607SS**Hα-helixtrans-68.2-27.3175.8-167175.9-176.3-177.60.7113.6Q227 L228 V229Q227-R231 VanDerWaalsContact O-CB 3.31Å; Q227-R231 WeakPolarHBondContact O-CB 3.45Å; Q227-R231 PolarHBondContact O-N 3.23Å; L228-R231 PolarHBondContact O-N 2.93Å; V229-R231 PolarHBondContact O-N 3.27Å
232F82.8Confident86Confident164 Ų164123.2 Ų123.272%0.71961%0.614SS**Hα-helixtrans-83.9-17.1173.9-79.3-68.1000113.7L228 V229 M230L228-F232 HydrophobicContact CD1-CD2 4.22Å; L228-F232 HydrophobicContact CD1-CE2 3.62Å; L228-F232 HydrophobicContact CD2-CE2 4.5Å; L228-F232 HydrophobicContact CG-CD2 4.06Å; L228-F232 HydrophobicContact CG-CE2 3.76Å; L228-F232 WeakPolarHBondContact O-CD2 3.43Å; L228-F232 PolarHBondContact O-N 3.14Å; L228-F232 VanDerWaalsContact O-N 3.12Å; V229-F232 PolarHBondContact O-N 3.05Å; M230-F232 VanDerWaalsContact C-N 3.32Å; M230-F232 PolarHBondContact O-N 3.15Å
233L79.4Confident85.4Confident124 Ų124122.4 Ų122.465%0.64962%0.616SS**Hα-helixtrans-92.8-6.2176.9-65.3179.1000113.1V229 M230 P235V229-L233 HydrophobicContact CG1-CD1 3.82Å; V229-L233 HydrophobicContact CG1-CG 4.22Å; V229-L233 WeakPolarHBondContact O-CG 3.45Å; V229-L233 PolarHBondContact O-N 3.46Å; M230-L233 PolarHBondContact O-N 3.02Å; L233-P235 WeakPolarHBondContact O-CD 3.33Å
234E75Confident84.6Confident139 Ų139128.5 Ų128.565%0.6564%0.636SS**SBendtrans-65.2120.9170-78.7176.2172.900109.1M230 I236M230-E234 PolarHBondContact O-N 2.81Å; E234-I236 PolarHBondContact O-N 3.26Å
235P72.7Confident83.7Confident123 Ų123128.3 Ų128.380%0.79964%0.641SS**  trans-63.4132.6175.425.6-30.8000109.3L233L233-P235 WeakPolarHBondContact O-CD 3.33Å
236I61.8Low82.8Confident241 Ų241131.5 Ų131.5100%1.23666%0.655SS**  trans-59.20169.2-61.1171.4000109.6E234E234-I236 PolarHBondContact O-N 3.26Å

Retrieved 236 of 236 residues in 47.5 ms (Link to these results)

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