G4VCG5_SCHMA Loading...

Radial spoke head protein 9 homolog

AlphaFold DB , UniProt , Accession G4VCG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 277 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
1M88.7Confident90.4Very high3 Ų340.3 Ų40.32%0.01522%0.221CC..  0129.50-74.2178.1-177.400110.3S3 L6 A9 I10 V13 S45 F46 Y251 S261 V262M1-S3 PolarHBondContact O-N 3.27Å; M1-L6 HydrophobicContact CB-CD1 3.97Å; M1-L6 HydrophobicContact SD-CD1 4.04Å; M1-A9 HydrophobicContact CB-CB 4.27Å; M1-A9 HydrophobicContact CG-CB 4.03Å; M1-A9 HydrophobicContact SD-CB 3.66Å; M1-I10 HydrophobicContact CE-CD1 4.44Å; M1-I10 HydrophobicContact SD-CD1 4.21Å; M1-V13 HydrophobicContact CE-CB 4.38Å; M1-V13 HydrophobicContact CE-CG1 3.8Å; M1-V13 HydrophobicContact CE-CG2 3.62Å; M1-S45 PolarHBondContact N-OG 2.97Å; M1-S45 CarbonylContact O-C 3.58Å; M1-S45 WeakPolarHBondContact O-CA 3.2Å; M1-S45 PolarHBondContact O-OG 3.43Å; M1-F46 PolarHBondContact N-O 2.98Å; M1-F46 PolarHBondContact O-N 2.8Å; M1-Y251 HydrophobicContact CE-CD1 3.74Å; M1-Y251 HydrophobicContact CE-CE1 3.53Å; M1-Y251 HydrophobicContact CG-CE1 3.9Å; M1-Y251 HydrophobicContact SD-CE1 4.21Å; M1-S261 WeakPolarHBondContact CG-O 3.16Å; M1-S261 PolarHBondContact N-O 3.05Å; M1-V262 HydrophobicContact CE-CB 3.87Å; M1-V262 HydrophobicContact CE-CG1 3.61Å; M1-V262 HydrophobicContact SD-CB 4.39Å
2D90.1Very high90.7Very high61 Ų6141.3 Ų41.333%0.32622%0.22SC..BIsolated β-bridgetrans-58.5135.2177.8-168.4-54000111.2S4 D5 L6D2-S4 VanDerWaalsContact CG-OG 3.31Å; D2-S4 PolarHBondContact O-N 2.93Å; D2-S4 WeakPolarHBondContact OD1-CB 3.34Å; D2-S4 PolarHBondContact OD1-N 3.24Å; D2-S4 PolarHBondContact OD1-OG 3.43Å; D2-D5 PolarHBondContact O-N 3.12Å; D2-L6 PolarHBondContact O-N 2.67Å; D2-L6 VanDerWaalsContact O-N 3.17Å
3S89.3Confident91.1Very high6 Ų638.2 Ų38.24%0.04220%0.203CC..THydrogen-bonded Turntrans-58.9-30.1-178.866.80000113.5M1 D5 V44M1-S3 PolarHBondContact O-N 3.27Å; S3-D5 PolarHBondContact O-N 3.27Å; S3-V44 WeakPolarHBondContact CB-O 3.4Å; S3-V44 PolarHBondContact N-O 2.88Å; S3-V44 PolarHBondContact OG-O 3.47Å
4S88.9Confident91.2Very high72 Ų7237.4 Ų37.450%0.50321%0.209SC..THydrogen-bonded Turntrans-67.7-33.5-178.355.50000113.4D2D2-S4 VanDerWaalsContact CG-OG 3.31Å; D2-S4 PolarHBondContact O-N 2.93Å; D2-S4 WeakPolarHBondContact OD1-CB 3.34Å; D2-S4 PolarHBondContact OD1-N 3.24Å; D2-S4 PolarHBondContact OD1-OG 3.43Å
5D91Very high91.2Very high50 Ų5039.9 Ų39.927%0.26723%0.23SC..THydrogen-bonded Turntrans-110.25.8-176.4-72.8-33000112.8D2 S3 H7 L8 A9 K258D2-D5 PolarHBondContact O-N 3.12Å; S3-D5 PolarHBondContact O-N 3.27Å; D5-H7 PolarHBondContact O-N 2.82Å; D5-H7 VanDerWaalsContact O-N 3.1Å; D5-L8 PolarHBondContact O-N 2.8Å; D5-A9 WeakPolarHBondContact O-CB 3.34Å; D5-A9 PolarHBondContact O-N 3.26Å; D5-K258 IonicContact OD1-NZ 3.93Å; D5-K258 IonicContact OD2-NZ 2.9Å; D5-K258 PolarHBondContact OD2-NZ 2.96Å
6L90.9Very high91.3Very high2 Ų239.8 Ų39.81%0.0123%0.232CC..Hα-helixtrans-51.7-41.6-171.2179.861.7000113.2M1 D2 L8 A9 I10 L28 L32 F46M1-L6 HydrophobicContact CB-CD1 3.97Å; M1-L6 HydrophobicContact SD-CD1 4.04Å; D2-L6 PolarHBondContact O-N 2.67Å; D2-L6 VanDerWaalsContact O-N 3.17Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 2.81Å; L6-A9 PolarHBondContact O-N 3.27Å; L6-I10 WeakPolarHBondContact O-CG2 3.3Å; L6-I10 PolarHBondContact O-N 3.29Å; L6-I10 VanDerWaalsContact O-N 3.08Å; L6-L28 HydrophobicContact CD2-CB 3.82Å; L6-L28 HydrophobicContact CD2-CD1 4.3Å; L6-L32 HydrophobicContact CD2-CD1 3.79Å; L6-F46 HydrophobicContact CD1-CB 3.87Å; L6-F46 HydrophobicContact CD1-CD1 4.02Å; L6-F46 HydrophobicContact CD1-CG 4.21Å; L6-F46 HydrophobicContact CD2-CB 4.1Å; L6-F46 HydrophobicContact CD2-CG 4.37Å
7H87.5Confident91.3Very high83 Ų8340.5 Ų40.538%0.38425%0.25SC..Hα-helixtrans-58.5-32.7179.466.3-71.1000114.5D5D5-H7 PolarHBondContact O-N 2.82Å; D5-H7 VanDerWaalsContact O-N 3.1Å
8L89.7Confident91.4Very high86 Ų8638.9 Ų38.945%0.4524%0.239SC..Hα-helixtrans-91-41.4175-63.5170000111.1D5 L6 I10 D11D5-L8 PolarHBondContact O-N 2.8Å; L6-L8 VanDerWaalsContact C-N 3.26Å; L6-L8 PolarHBondContact O-N 2.81Å; L8-I10 VanDerWaalsContact C-N 3.28Å; L8-I10 PolarHBondContact O-N 2.85Å; L8-D11 PolarHBondContact O-N 3.49Å; L8-D11 VanDerWaalsContact O-N 3.11Å
9A93.1Very high91.4Very high2 Ų242.5 Ų42.52%0.01726%0.261CS..Hα-helixtrans-56.6-42.9-17500000112.3M1 D5 L6 D11 Y12 Y251M1-A9 HydrophobicContact CB-CB 4.27Å; M1-A9 HydrophobicContact CG-CB 4.03Å; M1-A9 HydrophobicContact SD-CB 3.66Å; D5-A9 WeakPolarHBondContact O-CB 3.34Å; D5-A9 PolarHBondContact O-N 3.26Å; L6-A9 PolarHBondContact O-N 3.27Å; A9-D11 PolarHBondContact O-N 2.9Å; A9-Y12 WeakPolarHBondContact O-CB 3.4Å; A9-Y12 PolarHBondContact O-N 3.05Å; A9-Y251 HydrophobicContact CB-CE1 4.04Å; A9-Y251 WeakPolarHBondContact CB-OH 3.43Å
10I93.2Very high91.5Very high2 Ų241.1 Ų41.11%0.0125%0.252CS..Hα-helixtrans-64-29.3-178.5-161.970.6000112.4M1 L6 L8 Y12 V13 G14 I18 L20 K25M1-I10 HydrophobicContact CE-CD1 4.44Å; M1-I10 HydrophobicContact SD-CD1 4.21Å; L6-I10 WeakPolarHBondContact O-CG2 3.3Å; L6-I10 PolarHBondContact O-N 3.29Å; L6-I10 VanDerWaalsContact O-N 3.08Å; L8-I10 VanDerWaalsContact C-N 3.28Å; L8-I10 PolarHBondContact O-N 2.85Å; I10-Y12 VanDerWaalsContact C-N 3.27Å; I10-Y12 PolarHBondContact O-N 2.84Å; I10-V13 HydrophobicContact CD1-CG2 4.13Å; I10-V13 WeakPolarHBondContact O-CG2 3.48Å; I10-V13 PolarHBondContact O-N 2.97Å; I10-G14 PolarHBondContact O-N 3Å; I10-I18 HydrophobicContact CD1-CG2 3.9Å; I10-L20 HydrophobicContact CD1-CD1 3.98Å; I10-L20 HydrophobicContact CD1-CG 4.11Å; I10-L20 HydrophobicContact CG1-CD1 3.94Å; I10-L20 HydrophobicContact CG1-CG 4.02Å; I10-K25 HydrophobicContact CG2-CD 4.18Å; I10-K25 VanDerWaalsContact CG2-CE 3.42Å
11D92.6Very high91.6Very high76 Ų7642.3 Ų42.341%0.40626%0.259SS..Hα-helixtrans-73.2-22.7-179.4-66.5-14.3000111.8L8 A9 V13 G14 K25 R233L8-D11 PolarHBondContact O-N 3.49Å; L8-D11 VanDerWaalsContact O-N 3.11Å; A9-D11 PolarHBondContact O-N 2.9Å; D11-V13 VanDerWaalsContact C-N 3.27Å; D11-V13 PolarHBondContact O-N 3.05Å; D11-G14 PolarHBondContact O-N 3.22Å; D11-K25 IonicContact OD1-NZ 3.22Å; D11-K25 PolarHBondContact OD1-NZ 2.82Å; D11-K25 IonicContact OD2-NZ 2.73Å; D11-R233 PolarHBondContact O-NH2 3.06Å
12Y94.2Very high91.7Very high53 Ų5347.5 Ų47.521%0.20829%0.293CS..Hα-helixtrans-69-26.2174.6-63.5-57.8000112.9A9 I10 V237 Y251 L253A9-Y12 WeakPolarHBondContact O-CB 3.4Å; A9-Y12 PolarHBondContact O-N 3.05Å; I10-Y12 VanDerWaalsContact C-N 3.27Å; I10-Y12 PolarHBondContact O-N 2.84Å; Y12-V237 HydrophobicContact CD1-CG2 3.83Å; Y12-V237 HydrophobicContact CE1-CG2 4.32Å; Y12-Y251 AromaticContact CD2-CD2 3.81Å; Y12-Y251 HydrophobicContact CD2-CD2 3.81Å; Y12-Y251 AromaticContact CD2-CE2 3.65Å; Y12-Y251 HydrophobicContact CD2-CE2 3.65Å; Y12-Y251 HydrophobicContact CE2-CE2 4.29Å; Y12-Y251 HydrophobicContact CG-CD2 4.1Å; Y12-Y251 HydrophobicContact CG-CE2 4.4Å; Y12-L253 HydrophobicContact CD1-CD1 4.05Å; Y12-L253 HydrophobicContact CD2-CD1 4.11Å; Y12-L253 HydrophobicContact CE1-CD1 4Å; Y12-L253 HydrophobicContact CE1-CD2 3.99Å; Y12-L253 HydrophobicContact CE1-CG 4.42Å; Y12-L253 HydrophobicContact CE2-CD1 4.08Å; Y12-L253 HydrophobicContact CE2-CD2 4.37Å; Y12-L253 HydrophobicContact CG-CD1 4.12Å
13V94.7Very high91.9Very high0 Ų051.8 Ų51.80%031%0.311CS..THydrogen-bonded Turntrans-100.23.5177.3-60.50000113M1 I10 D11 S15 C16 I18 L239 V249 Y251 V262M1-V13 HydrophobicContact CE-CB 4.38Å; M1-V13 HydrophobicContact CE-CG1 3.8Å; M1-V13 HydrophobicContact CE-CG2 3.62Å; I10-V13 HydrophobicContact CD1-CG2 4.13Å; I10-V13 WeakPolarHBondContact O-CG2 3.48Å; I10-V13 PolarHBondContact O-N 2.97Å; D11-V13 VanDerWaalsContact C-N 3.27Å; D11-V13 PolarHBondContact O-N 3.05Å; V13-S15 PolarHBondContact O-N 3.41Å; V13-C16 VanDerWaalsContact O-CB 3.28Å; V13-C16 WeakPolarHBondContact O-CB 3.5Å; V13-C16 PolarHBondContact O-N 3.08Å; V13-I18 HydrophobicContact CB-CB 4.4Å; V13-I18 HydrophobicContact CG2-CB 3.9Å; V13-I18 HydrophobicContact CG2-CG2 3.79Å; V13-L239 HydrophobicContact CG1-CD2 4.47Å; V13-V249 HydrophobicContact CG1-CB 4.41Å; V13-V249 HydrophobicContact CG1-CG1 3.94Å; V13-Y251 HydrophobicContact CG1-CD1 3.93Å; V13-Y251 HydrophobicContact CG1-CG 4.43Å; V13-V262 HydrophobicContact CG1-CG1 4.37Å; V13-V262 HydrophobicContact CG2-CG1 4.08Å
14G92.7Very high92.1Very high28 Ų2854 Ų5429%0.28932%0.321SS..G310 helixtrans-58.5-31.7-179.300000113.9I10 D11 C16 G17 I18I10-G14 PolarHBondContact O-N 3Å; D11-G14 PolarHBondContact O-N 3.22Å; G14-C16 PolarHBondContact O-N 3.33Å; G14-G17 PolarHBondContact O-N 2.92Å; G14-I18 WeakPolarHBondContact CA-O 3.5Å
15S91.1Very high92.3Very high75 Ų7552.9 Ų52.952%0.52431%0.307SS..G310 helixtrans-65.8-17.6175.356.50000113.5V13 G17V13-S15 PolarHBondContact O-N 3.41Å; S15-G17 VanDerWaalsContact C-N 3.27Å
16C93.3Very high92.4Very high38 Ų3853.1 Ų53.126%0.25732%0.316SS..G310 helixtrans-85.34.8173.4-58.40000113.2V13 G14 I18 K241 V249V13-C16 VanDerWaalsContact O-CB 3.28Å; V13-C16 WeakPolarHBondContact O-CB 3.5Å; V13-C16 PolarHBondContact O-N 3.08Å; G14-C16 PolarHBondContact O-N 3.33Å; C16-I18 HydrophobicContact CB-CD1 4.38Å; C16-I18 HydrophobicContact CB-CG1 4.26Å; C16-I18 PolarHBondContact O-N 3.15Å; C16-K241 WeakPolarHBondContact SG-CE 3.24Å; C16-V249 HydrophobicContact CB-CG2 4.2Å
17G92.1Very high92.6Very high52 Ų5254.8 Ų54.854%0.53633%0.326SS..THydrogen-bonded Turntrans76.89-173.500000113.8G14 S15 V19G14-G17 PolarHBondContact O-N 2.92Å; S15-G17 VanDerWaalsContact C-N 3.27Å; G17-V19 PolarHBondContact O-N 2.91Å
18I92.6Very high92.9Very high11 Ų1150.9 Ų50.96%0.05631%0.308CS..  trans-88104.6176.2-60.3179000108.2I10 V13 G14 C16 V249 V262 V264I10-I18 HydrophobicContact CD1-CG2 3.9Å; V13-I18 HydrophobicContact CB-CB 4.4Å; V13-I18 HydrophobicContact CG2-CB 3.9Å; V13-I18 HydrophobicContact CG2-CG2 3.79Å; G14-I18 WeakPolarHBondContact CA-O 3.5Å; C16-I18 HydrophobicContact CB-CD1 4.38Å; C16-I18 HydrophobicContact CB-CG1 4.26Å; C16-I18 PolarHBondContact O-N 3.15Å; I18-V249 HydrophobicContact CD1-CB 4.37Å; I18-V249 HydrophobicContact CD1-CG2 3.86Å; I18-V262 HydrophobicContact CD1-CG1 3.91Å; I18-V262 HydrophobicContact CG2-CG1 4.25Å; I18-V264 HydrophobicContact CD1-CB 4.17Å; I18-V264 HydrophobicContact CD1-CG2 4.23Å; I18-V264 HydrophobicContact CG1-CB 4.08Å; I18-V264 HydrophobicContact CG1-CG2 4.22Å; I18-V264 HydrophobicContact CG2-CB 4.43Å; I18-V264 HydrophobicContact CG2-CG2 3.68Å
19V92Very high93.1Very high108 Ų10848.9 Ų48.966%0.65530%0.298SS*.  trans-135.6147.5179.9-65.80000110.5G17G17-V19 PolarHBondContact O-N 2.91Å
20L92.5Very high93.1Very high14 Ų1452.9 Ų52.97%0.07332%0.322CS..  trans-112.8143.9172.3-68.7173.7000108.7I10 Q24 K25 L28 I49 F58I10-L20 HydrophobicContact CD1-CD1 3.98Å; I10-L20 HydrophobicContact CD1-CG 4.11Å; I10-L20 HydrophobicContact CG1-CD1 3.94Å; I10-L20 HydrophobicContact CG1-CG 4.02Å; L20-Q24 HydrophobicContact CB-CB 4.28Å; L20-Q24 HydrophobicContact CD2-CB 4.38Å; L20-K25 HydrophobicContact CB-CG 3.62Å; L20-K25 HydrophobicContact CD1-CG 4.27Å; L20-L28 HydrophobicContact CD1-CD1 3.83Å; L20-L28 HydrophobicContact CD2-CD1 4.4Å; L20-I49 HydrophobicContact CD2-CD1 3.86Å; L20-F58 HydrophobicContact CD2-CE1 4.35Å
21T92.9Very high93.3Very high66 Ų6653.6 Ų53.641%0.40533%0.327SS..  trans-64.2154.4172.871.10000110.1E23 Q24 K25T21-E23 PolarHBondContact O-N 3.18Å; T21-Q24 PolarHBondContact O-N 3.42Å; T21-Q24 VanDerWaalsContact O-N 3.13Å; T21-Q24 WeakPolarHBondContact OG1-CB 3.5Å; T21-Q24 VanDerWaalsContact OG1-CG 3.25Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.48Å; T21-Q24 PolarHBondContact OG1-N 3.49Å; T21-Q24 VanDerWaalsContact OG1-N 3.09Å; T21-Q24 PolarHBondContact OG1-OE1 3Å; T21-K25 WeakPolarHBondContact O-CG 3.43Å; T21-K25 PolarHBondContact O-N 3.36Å
22P91.9Very high93.4Very high113 Ų11350 Ų5073%0.73431%0.308SS*.Hα-helixtrans-55.1-36.8176.4-26.735.4000112.9K25 A26P22-K25 PolarHBondContact O-N 2.96Å; P22-A26 WeakPolarHBondContact O-CB 3.49Å; P22-A26 PolarHBondContact O-N 3.09Å
23E93.5Very high93.4Very high151 Ų15150.4 Ų50.471%0.70632%0.316SS*.Hα-helixtrans-63.8-51.1174.7-175.4177.7-171.400111.6T21 K25 A26 T27T21-E23 PolarHBondContact O-N 3.18Å; E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 3.17Å; E23-A26 PolarHBondContact O-N 3.38Å; E23-T27 WeakPolarHBondContact O-CB 3.48Å; E23-T27 PolarHBondContact O-N 3.39Å; E23-T27 PolarHBondContact O-OG1 3.47Å
24Q93.9Very high93.4Very high53 Ų5354.1 Ų54.125%0.24834%0.335CS..Hα-helixtrans-57.6-43.8176-74.2166.8-14.900111.8L20 T21 A26 T27 L28L20-Q24 HydrophobicContact CB-CB 4.28Å; L20-Q24 HydrophobicContact CD2-CB 4.38Å; T21-Q24 PolarHBondContact O-N 3.42Å; T21-Q24 VanDerWaalsContact O-N 3.13Å; T21-Q24 WeakPolarHBondContact OG1-CB 3.5Å; T21-Q24 VanDerWaalsContact OG1-CG 3.25Å; T21-Q24 WeakPolarHBondContact OG1-CG 3.48Å; T21-Q24 PolarHBondContact OG1-N 3.49Å; T21-Q24 VanDerWaalsContact OG1-N 3.09Å; T21-Q24 PolarHBondContact OG1-OE1 3Å; Q24-A26 PolarHBondContact O-N 3.45Å; Q24-T27 PolarHBondContact O-N 2.96Å; Q24-L28 VanDerWaalsContact O-CB 3.24Å; Q24-L28 WeakPolarHBondContact O-CB 3.32Å; Q24-L28 WeakPolarHBondContact O-CG 3.27Å; Q24-L28 PolarHBondContact O-N 3.14Å
25K92.7Very high93.5Very high47 Ų4753.3 Ų53.320%0.20432%0.324CS..Hα-helixtrans-59.9-46.5177.5-70.5-171.5-176.5-165.60111.6I10 D11 L20 T21 P22 E23 N29I10-K25 HydrophobicContact CG2-CD 4.18Å; I10-K25 VanDerWaalsContact CG2-CE 3.42Å; D11-K25 IonicContact OD1-NZ 3.22Å; D11-K25 PolarHBondContact OD1-NZ 2.82Å; D11-K25 IonicContact OD2-NZ 2.73Å; L20-K25 HydrophobicContact CB-CG 3.62Å; L20-K25 HydrophobicContact CD1-CG 4.27Å; T21-K25 WeakPolarHBondContact O-CG 3.43Å; T21-K25 PolarHBondContact O-N 3.36Å; P22-K25 PolarHBondContact O-N 2.96Å; E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 3.17Å; K25-N29 WeakPolarHBondContact O-CB 3.36Å; K25-N29 PolarHBondContact O-N 3.01Å; K25-N29 VanDerWaalsContact O-N 3.11Å
26A92.7Very high93.6Very high56 Ų5652.8 Ų52.846%0.46331%0.312SS..Hα-helixtrans-64.6-48.9179.800000111.3P22 E23 Q24 N29 T30P22-A26 WeakPolarHBondContact O-CB 3.49Å; P22-A26 PolarHBondContact O-N 3.09Å; E23-A26 PolarHBondContact O-N 3.38Å; Q24-A26 PolarHBondContact O-N 3.45Å; A26-N29 PolarHBondContact O-N 2.95Å; A26-T30 PolarHBondContact O-N 3.43Å; A26-T30 PolarHBondContact O-OG1 3.15Å
27T95.1Very high93.6Very high37 Ų3757.8 Ų57.823%0.22733%0.331CS..Hα-helixtrans-61.2-48.7179.9-58.80000111.4E23 Q24 N29 T30 T31 C79 S80E23-T27 WeakPolarHBondContact O-CB 3.48Å; E23-T27 PolarHBondContact O-N 3.39Å; E23-T27 PolarHBondContact O-OG1 3.47Å; Q24-T27 PolarHBondContact O-N 2.96Å; T27-N29 PolarHBondContact O-N 2.94Å; T27-T30 PolarHBondContact O-N 2.85Å; T27-T31 HydrophobicContact CG2-CG2 4Å; T27-T31 WeakPolarHBondContact O-CB 3.49Å; T27-T31 VanDerWaalsContact O-CG2 3.25Å; T27-T31 WeakPolarHBondContact O-CG2 3.17Å; T27-T31 PolarHBondContact O-N 3.06Å; T27-T31 PolarHBondContact O-OG1 3.46Å; T27-T31 VanDerWaalsContact O-OG1 3.06Å; T27-C79 HydrophobicContact CG2-CB 3.95Å; T27-C79 WeakPolarHBondContact CG2-O 3.32Å; T27-S80 VanDerWaalsContact CG2-OG 3.3Å; T27-S80 WeakPolarHBondContact CG2-OG 3.06Å
28L95.4Very high93.7Very high0 Ų062 Ų620%034%0.337CS..Hα-helixtrans-61.6-41.9179.1-73.1170.4000112.5L6 L20 Q24 T30 T31 L32 F46 C79 W82L6-L28 HydrophobicContact CD2-CB 3.82Å; L6-L28 HydrophobicContact CD2-CD1 4.3Å; L20-L28 HydrophobicContact CD1-CD1 3.83Å; L20-L28 HydrophobicContact CD2-CD1 4.4Å; Q24-L28 VanDerWaalsContact O-CB 3.24Å; Q24-L28 WeakPolarHBondContact O-CB 3.32Å; Q24-L28 WeakPolarHBondContact O-CG 3.27Å; Q24-L28 PolarHBondContact O-N 3.14Å; L28-T30 VanDerWaalsContact C-N 3.26Å; L28-T30 PolarHBondContact O-N 2.82Å; L28-T31 PolarHBondContact O-N 3.21Å; L28-L32 HydrophobicContact CB-CD1 4.28Å; L28-L32 WeakPolarHBondContact O-CB 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 2.81Å; L28-F46 HydrophobicContact CD1-CD2 4.26Å; L28-F46 HydrophobicContact CD1-CE2 3.96Å; L28-F46 HydrophobicContact CD1-CZ 4.25Å; L28-F46 HydrophobicContact CD2-CD2 4.25Å; L28-F46 HydrophobicContact CD2-CE2 4.18Å; L28-C79 HydrophobicContact CD2-CB 3.74Å; L28-C79 HydrophobicContact CG-CB 3.94Å; L28-W82 HydrophobicContact CD2-CH2 4.11Å; L28-W82 HydrophobicContact CD2-CZ2 3.67Å
29N92.6Very high93.6Very high44 Ų4464.9 Ų64.924%0.23535%0.353CS..Hα-helixtrans-57.5-42.4176.6-83.2-12.8000111.8K25 A26 T27 T33K25-N29 WeakPolarHBondContact O-CB 3.36Å; K25-N29 PolarHBondContact O-N 3.01Å; K25-N29 VanDerWaalsContact O-N 3.11Å; A26-N29 PolarHBondContact O-N 2.95Å; T27-N29 PolarHBondContact O-N 2.94Å; N29-T33 WeakPolarHBondContact O-CB 3.3Å; N29-T33 PolarHBondContact O-OG1 2.83Å
30T93.9Very high93.6Very high86 Ų8668.6 Ų68.653%0.52836%0.36SS..Hα-helixtrans-72.3-50.3178.9-55.70000111.4A26 T27 L28 T33 I34A26-T30 PolarHBondContact O-N 3.43Å; A26-T30 PolarHBondContact O-OG1 3.15Å; T27-T30 PolarHBondContact O-N 2.85Å; L28-T30 VanDerWaalsContact C-N 3.26Å; L28-T30 PolarHBondContact O-N 2.82Å; T30-T33 PolarHBondContact O-N 3Å; T30-I34 HydrophobicContact CG2-CD1 3.99Å; T30-I34 WeakPolarHBondContact O-CG1 3.47Å; T30-I34 PolarHBondContact O-N 3.13Å
31T96.1Very high93.7Very high18 Ų1869.3 Ų69.311%0.1136%0.363CS..Hα-helixtrans-72.6-37.3-170.662.20000112.2T27 L28 T33 I34 L35 C79 W82T27-T31 HydrophobicContact CG2-CG2 4Å; T27-T31 WeakPolarHBondContact O-CB 3.49Å; T27-T31 VanDerWaalsContact O-CG2 3.25Å; T27-T31 WeakPolarHBondContact O-CG2 3.17Å; T27-T31 PolarHBondContact O-N 3.06Å; T27-T31 PolarHBondContact O-OG1 3.46Å; T27-T31 VanDerWaalsContact O-OG1 3.06Å; L28-T31 PolarHBondContact O-N 3.21Å; T31-T33 VanDerWaalsContact C-N 3.3Å; T31-T33 PolarHBondContact O-N 2.77Å; T31-I34 PolarHBondContact O-N 3.5Å; T31-L35 WeakPolarHBondContact O-CB 3.43Å; T31-L35 WeakPolarHBondContact O-CG 3.36Å; T31-L35 PolarHBondContact O-N 3Å; T31-C79 WeakPolarHBondContact CG2-O 3.39Å; T31-C79 PolarHBondContact OG1-O 3.1Å; T31-W82 PolarHBondContact OG1-NE1 3.03Å
32L95.4Very high93.6Very high0 Ų069 Ų690%036%0.363CS..Hα-helixtrans-66.6-33.6174.6-62.7176.3000112.1L6 L28 L35 K36 V44 F46 A60 W82L6-L32 HydrophobicContact CD2-CD1 3.79Å; L28-L32 HydrophobicContact CB-CD1 4.28Å; L28-L32 WeakPolarHBondContact O-CB 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.3Å; L28-L32 PolarHBondContact O-N 2.81Å; L32-L35 HydrophobicContact CD2-CD1 4.05Å; L32-K36 PolarHBondContact O-N 2.88Å; L32-V44 HydrophobicContact CB-CG1 4.13Å; L32-V44 HydrophobicContact CD2-CG1 3.9Å; L32-F46 HydrophobicContact CD1-CB 4.02Å; L32-A60 HydrophobicContact CD2-CB 3.51Å; L32-W82 HydrophobicContact CD2-CH2 4.04Å; L32-W82 HydrophobicContact CD2-CZ2 3.63Å; L32-W82 HydrophobicContact CG-CZ2 4.46Å
33T93.7Very high93.6Very high62 Ų6265.9 Ų65.938%0.3834%0.337SS..Hα-helixtrans-66.8-43.1174.5-600000110.9N29 T30 T31 K36 H37N29-T33 WeakPolarHBondContact O-CB 3.3Å; N29-T33 PolarHBondContact O-OG1 2.83Å; T30-T33 PolarHBondContact O-N 3Å; T31-T33 VanDerWaalsContact C-N 3.3Å; T31-T33 PolarHBondContact O-N 2.77Å; T33-K36 WeakPolarHBondContact O-CB 3.02Å; T33-K36 PolarHBondContact O-N 3.24Å; T33-H37 PolarHBondContact O-CD2 3.19Å; T33-H37 PolarHBondContact O-N 3.29Å
34I94.8Very high93.7Very high78 Ų7858.7 Ų58.740%0.430%0.304SS..Hα-helixtrans-60.8-50.2174.6-66.8166000110.4T30 T31 K36 H37 E38T30-I34 HydrophobicContact CG2-CD1 3.99Å; T30-I34 WeakPolarHBondContact O-CG1 3.47Å; T30-I34 PolarHBondContact O-N 3.13Å; T31-I34 PolarHBondContact O-N 3.5Å; I34-K36 PolarHBondContact O-N 3.03Å; I34-H37 PolarHBondContact O-N 3.1Å; I34-E38 HydrophobicContact CG2-CG 4Å; I34-E38 PolarHBondContact O-N 3.01Å
35L94.6Very high93.8Very high11 Ų1157.2 Ų57.26%0.05830%0.299CS..Hα-helixtrans-53.3-41.4178.2-85.3173.6000113T31 L32 H37 N39 L74 W82T31-L35 WeakPolarHBondContact O-CB 3.43Å; T31-L35 WeakPolarHBondContact O-CG 3.36Å; T31-L35 PolarHBondContact O-N 3Å; L32-L35 HydrophobicContact CD2-CD1 4.05Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-H37 PolarHBondContact O-N 3.02Å; L35-N39 WeakPolarHBondContact O-CB 3.12Å; L35-N39 PolarHBondContact O-N 2.84Å; L35-N39 PolarHBondContact O-ND2 3.4Å; L35-L74 HydrophobicContact CD2-CD2 3.84Å; L35-W82 HydrophobicContact CD1-CB 4.17Å; L35-W82 VanDerWaalsContact CD1-CD1 3.49Å; L35-W82 HydrophobicContact CD1-CD2 3.61Å; L35-W82 HydrophobicContact CD1-CE3 4.38Å; L35-W82 HydrophobicContact CD1-CG 3.5Å; L35-W82 HydrophobicContact CD1-CZ2 4.43Å; L35-W82 HydrophobicContact CD2-CB 4.06Å; L35-W82 HydrophobicContact CD2-CG 4.22Å; L35-W82 HydrophobicContact CG-CG 4.2Å
36K94.6Very high94Very high64 Ų6455 Ų5528%0.27829%0.289SS..Hα-helixtrans-58.9-45.6177.5-175.3177.4179171.20111.5L32 T33 I34 K40 F41 S42 V44L32-K36 PolarHBondContact O-N 2.88Å; T33-K36 WeakPolarHBondContact O-CB 3.02Å; T33-K36 PolarHBondContact O-N 3.24Å; I34-K36 PolarHBondContact O-N 3.03Å; K36-K40 WeakPolarHBondContact O-CA 3.45Å; K36-K40 PolarHBondContact O-N 3.26Å; K36-F41 PolarHBondContact O-N 3.37Å; K36-F41 VanDerWaalsContact O-N 3.12Å; K36-S42 WeakPolarHBondContact CE-O 3.4Å; K36-S42 PolarHBondContact NZ-O 3.4Å; K36-V44 HydrophobicContact CB-CB 4.36Å; K36-V44 HydrophobicContact CB-CG2 3.56Å; K36-V44 HydrophobicContact CG-CG2 4.04Å
37H93.8Very high94.1Very high142 Ų14253 Ų5366%0.65727%0.27SS*.Hα-helixtrans-74.7-44.4-177.3-75.1-68.6000112.8T33 I34 L35 K40T33-H37 PolarHBondContact O-CD2 3.19Å; T33-H37 PolarHBondContact O-N 3.29Å; I34-H37 PolarHBondContact O-N 3.1Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-H37 PolarHBondContact O-N 3.02Å; H37-K40 PolarHBondContact O-N 3.49Å
38E93Very high94.2Very high141 Ų14151.2 Ų51.266%0.65926%0.259SS*.Hα-helixtrans-64.4-44.1-177.3-71.5-176.1160.300112.4I34I34-E38 HydrophobicContact CG2-CG 4Å; I34-E38 PolarHBondContact O-N 3.01Å
39N91.6Very high94.3Very high72 Ų7251.9 Ų51.939%0.38526%0.262SS..THydrogen-bonded Turntrans-90.6-0.1-178.3-65.6-78.4000113.4L35 F41L35-N39 WeakPolarHBondContact O-CB 3.12Å; L35-N39 PolarHBondContact O-N 2.84Å; L35-N39 PolarHBondContact O-ND2 3.4Å; N39-F41 HydrophobicContact CB-CD1 4.48Å; N39-F41 HydrophobicContact CB-CD2 3.51Å; N39-F41 HydrophobicContact CB-CE1 4.2Å; N39-F41 HydrophobicContact CB-CE2 3.17Å; N39-F41 HydrophobicContact CB-CG 4.17Å; N39-F41 HydrophobicContact CB-CZ 3.55Å; N39-F41 PolarHBondContact O-N 2.75Å
40K91.7Very high94.6Very high185 Ų18549.8 Ų49.880%0.80425%0.251SS*.THydrogen-bonded Turntrans55.934.7-178.7-55175.4-177.3172.60113.6K36 H37K36-K40 WeakPolarHBondContact O-CA 3.45Å; K36-K40 PolarHBondContact O-N 3.26Å; H37-K40 PolarHBondContact O-N 3.49Å
41F93.4Very high94.7Very high30 Ų3051.6 Ų51.613%0.13225%0.248CC..  trans-67.6144.6173.7-63.4-54.8000110.4K36 N39 Y43 V44 T72 L74K36-F41 PolarHBondContact O-N 3.37Å; K36-F41 VanDerWaalsContact O-N 3.12Å; N39-F41 HydrophobicContact CB-CD1 4.48Å; N39-F41 HydrophobicContact CB-CD2 3.51Å; N39-F41 HydrophobicContact CB-CE1 4.2Å; N39-F41 HydrophobicContact CB-CE2 3.17Å; N39-F41 HydrophobicContact CB-CG 4.17Å; N39-F41 HydrophobicContact CB-CZ 3.55Å; N39-F41 PolarHBondContact O-N 2.75Å; F41-Y43 VanDerWaalsContact C-N 3.3Å; F41-V44 HydrophobicContact CB-CG2 4.01Å; F41-V44 HydrophobicContact CD2-CG2 3.84Å; F41-V44 HydrophobicContact CG-CG2 4.33Å; F41-T72 HydrophobicContact CZ-CG2 4.16Å; F41-L74 HydrophobicContact CE2-CD1 4.27Å; F41-L74 HydrophobicContact CZ-CD1 4.5Å
42S92.2Very high94.7Very high60 Ų6051.5 Ų51.542%0.4225%0.251SS..SBendtrans-68.9-37.8173.3-64.90000110.2K36 I63 G64K36-S42 WeakPolarHBondContact CE-O 3.4Å; K36-S42 PolarHBondContact NZ-O 3.4Å; S42-I63 PolarHBondContact N-O 2.89Å; S42-G64 WeakPolarHBondContact CB-O 3.45Å; S42-G64 PolarHBondContact OG-O 3.24Å
43Y91.7Very high94.7Very high46 Ų4656.4 Ų56.418%0.1828%0.276CS..EExtended strand (participates in β ladder)trans-149.3156.8173.667.1-82.7000111.2F41 I63 V67F41-Y43 VanDerWaalsContact C-N 3.3Å; Y43-I63 HydrophobicContact CD1-CB 3.78Å; Y43-I63 HydrophobicContact CD1-CG2 4.16Å; Y43-I63 HydrophobicContact CD2-CB 4.01Å; Y43-I63 HydrophobicContact CD2-CD1 4.32Å; Y43-I63 HydrophobicContact CD2-CG1 4.25Å; Y43-I63 HydrophobicContact CE1-CB 3.27Å; Y43-I63 HydrophobicContact CE1-CD1 4.43Å; Y43-I63 HydrophobicContact CE1-CG1 4.26Å; Y43-I63 HydrophobicContact CE1-CG2 3.23Å; Y43-I63 HydrophobicContact CE2-CB 3.59Å; Y43-I63 HydrophobicContact CE2-CD1 3.35Å; Y43-I63 HydrophobicContact CE2-CG1 3.67Å; Y43-I63 HydrophobicContact CE2-CG2 4.16Å; Y43-I63 HydrophobicContact CG-CB 4.13Å; Y43-I63 PolarHBondContact N-O 3.44Å; Y43-I63 VanDerWaalsContact N-O 3.14Å; Y43-I63 PolarHBondContact O-N 2.84Å; Y43-I63 WeakPolarHBondContact OH-CD1 3.17Å; Y43-I63 WeakPolarHBondContact OH-CG2 3.37Å; Y43-V67 HydrophobicContact CE1-CG2 3.96Å; Y43-V67 WeakPolarHBondContact OH-CG1 3.28Å; Y43-V67 WeakPolarHBondContact OH-CG2 3.49Å
44V95.5Very high94.7Very high1 Ų160.1 Ų60.11%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-126.1132.1175.8174.50000107.3S3 L32 K36 F41 Q61S3-V44 WeakPolarHBondContact CB-O 3.4Å; S3-V44 PolarHBondContact N-O 2.88Å; S3-V44 PolarHBondContact OG-O 3.47Å; L32-V44 HydrophobicContact CB-CG1 4.13Å; L32-V44 HydrophobicContact CD2-CG1 3.9Å; K36-V44 HydrophobicContact CB-CB 4.36Å; K36-V44 HydrophobicContact CB-CG2 3.56Å; K36-V44 HydrophobicContact CG-CG2 4.04Å; F41-V44 HydrophobicContact CB-CG2 4.01Å; F41-V44 HydrophobicContact CD2-CG2 3.84Å; F41-V44 HydrophobicContact CG-CG2 4.33Å; V44-Q61 WeakPolarHBondContact CA-O 3.25Å
45S94.7Very high94.6Very high21 Ų2157.4 Ų57.415%0.14729%0.285CS..EExtended strand (participates in β ladder)trans-116.3132.91781760000109.4M1 W47 A60 Q61M1-S45 PolarHBondContact N-OG 2.97Å; M1-S45 CarbonylContact O-C 3.58Å; M1-S45 WeakPolarHBondContact O-CA 3.2Å; M1-S45 PolarHBondContact O-OG 3.43Å; S45-W47 PolarHBondContact O-N 3.22Å; S45-A60 CarbonylContact O-C 3.53Å; S45-A60 WeakPolarHBondContact O-CA 3.42Å; S45-Q61 PolarHBondContact N-O 2.78Å; S45-Q61 PolarHBondContact O-N 3.34Å
46F96.6Very high94.7Very high1 Ų159.7 Ų59.70%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-70.2112.6159.8-175.6-113000108M1 L6 L28 L32 G48 I49 F58 I59 V262M1-F46 PolarHBondContact N-O 2.98Å; M1-F46 PolarHBondContact O-N 2.8Å; L6-F46 HydrophobicContact CD1-CB 3.87Å; L6-F46 HydrophobicContact CD1-CD1 4.02Å; L6-F46 HydrophobicContact CD1-CG 4.21Å; L6-F46 HydrophobicContact CD2-CB 4.1Å; L6-F46 HydrophobicContact CD2-CG 4.37Å; L28-F46 HydrophobicContact CD1-CD2 4.26Å; L28-F46 HydrophobicContact CD1-CE2 3.96Å; L28-F46 HydrophobicContact CD1-CZ 4.25Å; L28-F46 HydrophobicContact CD2-CD2 4.25Å; L28-F46 HydrophobicContact CD2-CE2 4.18Å; L32-F46 HydrophobicContact CD1-CB 4.02Å; F46-G48 WeakPolarHBondContact CZ-O 3.47Å; F46-I49 HydrophobicContact CE1-CG1 4.4Å; F46-I49 HydrophobicContact CZ-CD1 4.47Å; F46-I49 HydrophobicContact CZ-CG1 3.81Å; F46-F58 HydrophobicContact CE2-CB 4.28Å; F46-F58 HydrophobicContact CE2-CD1 4.2Å; F46-F58 HydrophobicContact CZ-CD1 4.11Å; F46-I59 WeakPolarHBondContact CD2-O 3.41Å; F46-V262 HydrophobicContact CD1-CG2 4.23Å; F46-V262 HydrophobicContact CE1-CG2 4.12Å
47W96.7Very high94.9Very high14 Ų1456.7 Ų56.75%0.05328%0.284CS..EExtended strand (participates in β ladder)trans-80.2-41.9-176.4-178.599.4000110.6S45 I50 I59 Q61 I145 I148 V262 Y263S45-W47 PolarHBondContact O-N 3.22Å; W47-I50 HydrophobicContact CH2-CD1 3.92Å; W47-I50 HydrophobicContact CZ3-CD1 3.68Å; W47-I50 HydrophobicContact CZ3-CG1 4.18Å; W47-I59 HydrophobicContact CB-CB 4.1Å; W47-I59 HydrophobicContact CB-CG2 3.87Å; W47-I59 WeakPolarHBondContact CB-O 3.32Å; W47-I59 HydrophobicContact CD2-CB 4.33Å; W47-I59 HydrophobicContact CD2-CG2 4.13Å; W47-I59 HydrophobicContact CE3-CB 3.77Å; W47-I59 HydrophobicContact CE3-CG1 4.03Å; W47-I59 HydrophobicContact CE3-CG2 4.03Å; W47-I59 HydrophobicContact CG-CG2 4.1Å; W47-I59 HydrophobicContact CZ3-CG1 4.36Å; W47-I59 PolarHBondContact N-O 2.9Å; W47-Q61 HydrophobicContact CB-CB 4.47Å; W47-I145 HydrophobicContact CH2-CG1 4.18Å; W47-I145 HydrophobicContact CH2-CG2 4.48Å; W47-I145 HydrophobicContact CZ2-CB 4.46Å; W47-I145 HydrophobicContact CZ2-CG2 3.98Å; W47-I145 HydrophobicContact CZ3-CG1 4.35Å; W47-I148 HydrophobicContact CH2-CB 4.08Å; W47-I148 HydrophobicContact CH2-CD1 3.78Å; W47-I148 HydrophobicContact CH2-CG2 3.77Å; W47-I148 HydrophobicContact CZ2-CB 3.79Å; W47-I148 HydrophobicContact CZ2-CD1 4.38Å; W47-I148 HydrophobicContact CZ2-CG2 3.46Å; W47-I148 VanDerWaalsContact CZ2-CG2 3.46Å; W47-V262 WeakPolarHBondContact O-CA 3.43Å; W47-Y263 AromaticContact CH2-CD1 3.79Å; W47-Y263 HydrophobicContact CH2-CD1 3.79Å; W47-Y263 AromaticContact CH2-CG 3.87Å; W47-Y263 HydrophobicContact CH2-CG 3.87Å; W47-Y263 AromaticContact CZ3-CD1 3.72Å; W47-Y263 HydrophobicContact CZ3-CD1 3.72Å; W47-Y263 HydrophobicContact CZ3-CG 4.03Å; W47-Y263 PolarHBondContact O-N 3.07Å; W47-Y263 VanDerWaalsContact O-N 3.08Å
48G96.9Very high95.1Very high0 Ų050.5 Ų50.50%026%0.255CS..EExtended strand (participates in β ladder)trans156.7-162.7-17700000115.9F46 I59 Y263F46-G48 WeakPolarHBondContact CZ-O 3.47Å; G48-I59 PolarHBondContact N-O 3.25Å; G48-I59 PolarHBondContact O-N 3.34Å; G48-Y263 CarbonylContact C-O 3.58Å; G48-Y263 WeakPolarHBondContact CA-O 3.26Å
49I97.5Very high95.3Very high13 Ų1343.8 Ų43.87%0.06722%0.224CC..EExtended strand (participates in β ladder)trans-130.5123.4179.5-51.9174.4000108.7L20 F46 R51 D56 Y57 F58 Y263 V264 G265L20-I49 HydrophobicContact CD2-CD1 3.86Å; F46-I49 HydrophobicContact CE1-CG1 4.4Å; F46-I49 HydrophobicContact CZ-CD1 4.47Å; F46-I49 HydrophobicContact CZ-CG1 3.81Å; I49-R51 HydrophobicContact CG2-CG 4.42Å; I49-D56 HydrophobicContact CG2-CB 3.79Å; I49-Y57 CarbonylContact C-O 3.51Å; I49-Y57 VanDerWaalsContact CA-O 3.28Å; I49-Y57 WeakPolarHBondContact CA-O 3.37Å; I49-F58 HydrophobicContact CD1-CD1 4.09Å; I49-F58 HydrophobicContact CD1-CE1 3.67Å; I49-F58 HydrophobicContact CG1-CD1 3.84Å; I49-F58 HydrophobicContact CG1-CE1 3.93Å; I49-Y263 PolarHBondContact N-O 3.24Å; I49-V264 HydrophobicContact CB-CG1 4.27Å; I49-V264 HydrophobicContact CB-CG2 4.19Å; I49-V264 HydrophobicContact CD1-CG2 4.27Å; I49-V264 HydrophobicContact CG1-CG2 4.2Å; I49-V264 WeakPolarHBondContact O-CA 3.25Å; I49-G265 PolarHBondContact O-N 2.96Å
50I97.5Very high95.6Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-96.9117166.7-55.2-63.8000108.1W47 Y57 I59 L103 L141 I145 I148 Y263 G265W47-I50 HydrophobicContact CH2-CD1 3.92Å; W47-I50 HydrophobicContact CZ3-CD1 3.68Å; W47-I50 HydrophobicContact CZ3-CG1 4.18Å; I50-Y57 PolarHBondContact N-O 3.37Å; I50-Y57 PolarHBondContact O-N 3.13Å; I50-I59 HydrophobicContact CG1-CG1 4.24Å; I50-L103 HydrophobicContact CG2-CD1 3.58Å; I50-L141 HydrophobicContact CB-CD1 3.95Å; I50-L141 HydrophobicContact CG1-CD1 3.76Å; I50-L141 HydrophobicContact CG2-CD1 4.04Å; I50-I145 HydrophobicContact CG1-CG1 4.43Å; I50-I148 HydrophobicContact CD1-CD1 4.21Å; I50-Y263 HydrophobicContact CD1-CD1 3.61Å; I50-Y263 HydrophobicContact CD1-CE1 3.48Å; I50-Y263 VanDerWaalsContact CD1-CE1 3.48Å; I50-G265 CarbonylContact C-O 3.54Å; I50-G265 WeakPolarHBondContact CA-O 3.32Å
51R96.6Very high95.8Very high124 Ų12432 Ų3247%0.46817%0.169SC..  trans-82.1123-177-63.6-169.6-179.1-155.21.2111.5I49 D56 G265 T266I49-R51 HydrophobicContact CG2-CG 4.42Å; R51-D56 VanDerWaalsContact CA-OD1 3.23Å; R51-D56 WeakPolarHBondContact CA-OD1 3.49Å; R51-G265 PolarHBondContact N-O 3.27Å; R51-T266 HydrophobicContact CB-CG2 4.45Å
52G95.6Very high95.9Very high16 Ų1630.6 Ų30.617%0.16516%0.163CC..  trans-101.1-178.6174.900000112.5G55 D56 L103G52-G55 VanDerWaalsContact CA-O 3.26Å; G52-G55 WeakPolarHBondContact CA-O 3.27Å; G52-G55 PolarHBondContact N-O 2.69Å; G52-D56 PolarHBondContact N-OD1 2.69Å; G52-L103 CarbonylContact C-O 3.57Å; G52-L103 WeakPolarHBondContact CA-O 3.39Å
53I95.5Very high96.1Very high104 Ų10428 Ų2853%0.53314%0.144SC..SBendtrans-75.8-50.4177-61.4169.6000110.5R102 L103I53-R102 HydrophobicContact CD1-CB 4.14Å; I53-R102 HydrophobicContact CG1-CB 3.87Å; I53-L103 PolarHBondContact N-O 3.08Å
54N94.1Very high96.1Very high140 Ų14026.3 Ų26.375%0.74914%0.142SC*.SBendtrans-107-3.8-174.7-57.1-44.4000113.2T104N54-T104 VanDerWaalsContact CB-O 3.28Å; N54-T104 WeakPolarHBondContact CB-O 3.39Å; N54-T104 PolarHBondContact N-O 3.18Å
55G93.9Very high95.9Very high21 Ų2133.3 Ų33.322%0.21617%0.172CC..  trans179.7147.5179.400000112G52 G105G52-G55 VanDerWaalsContact CA-O 3.26Å; G52-G55 WeakPolarHBondContact CA-O 3.27Å; G52-G55 PolarHBondContact N-O 2.69Å; G55-G105 WeakPolarHBondContact O-CA 3.4Å
56D96.6Very high95.9Very high59 Ų5932.7 Ų32.732%0.31617%0.167SC..  trans-92.5150.9-179.5-63.4-21.5000111.1I49 R51 G52 F58I49-D56 HydrophobicContact CG2-CB 3.79Å; R51-D56 VanDerWaalsContact CA-OD1 3.23Å; R51-D56 WeakPolarHBondContact CA-OD1 3.49Å; G52-D56 PolarHBondContact N-OD1 2.69Å; D56-F58 HydrophobicContact CB-CE2 4.44Å
57Y97.6Very high95.7Very high1 Ų132.9 Ų32.90%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-104.1119.7171.9-62.1-73.3000110.3I49 I50 Y75 K77 L103 G105 D106 P107 E137 L141I49-Y57 CarbonylContact C-O 3.51Å; I49-Y57 VanDerWaalsContact CA-O 3.28Å; I49-Y57 WeakPolarHBondContact CA-O 3.37Å; I50-Y57 PolarHBondContact N-O 3.37Å; I50-Y57 PolarHBondContact O-N 3.13Å; Y57-Y75 AromaticContact CD1-CD2 3.98Å; Y57-Y75 HydrophobicContact CD1-CD2 3.98Å; Y57-Y75 HydrophobicContact CE1-CD2 4.32Å; Y57-Y75 HydrophobicContact CE1-CE2 4.49Å; Y57-K77 HydrophobicContact CD1-CG 4.07Å; Y57-K77 HydrophobicContact CE1-CD 4.24Å; Y57-K77 HydrophobicContact CE1-CG 4.07Å; Y57-L103 HydrophobicContact CD2-CD1 4.18Å; Y57-L103 HydrophobicContact CE2-CB 4.23Å; Y57-L103 HydrophobicContact CE2-CD1 4.12Å; Y57-G105 WeakPolarHBondContact OH-CA 3.44Å; Y57-D106 PolarHBondContact OH-N 2.73Å; Y57-D106 VanDerWaalsContact OH-N 3.11Å; Y57-P107 HydrophobicContact CE1-CG 3.94Å; Y57-P107 WeakPolarHBondContact OH-CD 3.47Å; Y57-E137 WeakPolarHBondContact CE2-OE1 3.34Å; Y57-E137 PolarHBondContact OH-OE1 3.49Å; Y57-L141 HydrophobicContact CD1-CD2 3.86Å; Y57-L141 HydrophobicContact CD2-CD1 4.17Å; Y57-L141 HydrophobicContact CD2-CD2 3.9Å; Y57-L141 HydrophobicContact CE1-CD2 4.22Å; Y57-L141 HydrophobicContact CE2-CD2 4.24Å; Y57-L141 HydrophobicContact CG-CD1 4.43Å; Y57-L141 HydrophobicContact CG-CD2 3.67Å
58F97.6Very high95.4Very high11 Ų1133.7 Ų33.75%0.04817%0.173CC..EExtended strand (participates in β ladder)trans-88.1127.1170.9-62.7-93000108.7L20 F46 I49 D56 Y75 S76 C79 W82L20-F58 HydrophobicContact CD2-CE1 4.35Å; F46-F58 HydrophobicContact CE2-CB 4.28Å; F46-F58 HydrophobicContact CE2-CD1 4.2Å; F46-F58 HydrophobicContact CZ-CD1 4.11Å; I49-F58 HydrophobicContact CD1-CD1 4.09Å; I49-F58 HydrophobicContact CD1-CE1 3.67Å; I49-F58 HydrophobicContact CG1-CD1 3.84Å; I49-F58 HydrophobicContact CG1-CE1 3.93Å; D56-F58 HydrophobicContact CB-CE2 4.44Å; F58-Y75 CarbonylContact O-C 3.42Å; F58-Y75 VanDerWaalsContact O-CA 3.31Å; F58-Y75 WeakPolarHBondContact O-CA 3.28Å; F58-S76 PolarHBondContact N-O 2.85Å; F58-S76 PolarHBondContact O-N 3.06Å; F58-C79 WeakPolarHBondContact CD1-SG 3.22Å; F58-C79 WeakPolarHBondContact CG-SG 3.11Å; F58-W82 HydrophobicContact CB-CH2 4.35Å; F58-W82 WeakPolarHBondContact O-CZ3 3.4Å
59I98Very high95.2Very high0 Ų041.3 Ų41.30%021%0.206CC..EExtended strand (participates in β ladder)trans-113.6129.5-174.2-48.4-56.7000109.6F46 W47 G48 I50 L74 L85 L141 I145F46-I59 WeakPolarHBondContact CD2-O 3.41Å; W47-I59 HydrophobicContact CB-CB 4.1Å; W47-I59 HydrophobicContact CB-CG2 3.87Å; W47-I59 WeakPolarHBondContact CB-O 3.32Å; W47-I59 HydrophobicContact CD2-CB 4.33Å; W47-I59 HydrophobicContact CD2-CG2 4.13Å; W47-I59 HydrophobicContact CE3-CB 3.77Å; W47-I59 HydrophobicContact CE3-CG1 4.03Å; W47-I59 HydrophobicContact CE3-CG2 4.03Å; W47-I59 HydrophobicContact CG-CG2 4.1Å; W47-I59 HydrophobicContact CZ3-CG1 4.36Å; W47-I59 PolarHBondContact N-O 2.9Å; G48-I59 PolarHBondContact N-O 3.25Å; G48-I59 PolarHBondContact O-N 3.34Å; I50-I59 HydrophobicContact CG1-CG1 4.24Å; I59-L74 WeakPolarHBondContact CA-O 3.39Å; I59-L85 HydrophobicContact CD1-CD1 4.4Å; I59-L141 HydrophobicContact CD1-CD1 4.48Å; I59-L141 HydrophobicContact CD1-CD2 4.43Å; I59-I145 HydrophobicContact CD1-CD1 3.61Å; I59-I145 HydrophobicContact CG1-CD1 3.8Å; I59-I145 HydrophobicContact CG1-CG1 4.47Å; I59-I145 HydrophobicContact CG2-CD1 3.95Å
60A97.3Very high94.9Very high0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-117.4148.7170.200000109.5L32 S45 L74 W82L32-A60 HydrophobicContact CD2-CB 3.51Å; S45-A60 CarbonylContact O-C 3.53Å; S45-A60 WeakPolarHBondContact O-CA 3.42Å; A60-L74 PolarHBondContact N-O 2.71Å; A60-L74 PolarHBondContact O-N 3.06Å; A60-W82 HydrophobicContact CB-CE3 3.88Å; A60-W82 HydrophobicContact CB-CH2 3.46Å; A60-W82 VanDerWaalsContact CB-CH2 3.46Å; A60-W82 HydrophobicContact CB-CZ2 4.14Å; A60-W82 HydrophobicContact CB-CZ3 3.31Å; A60-W82 VanDerWaalsContact N-CZ3 3.34Å
61Q96.6Very high94.7Very high10 Ų1047.6 Ų47.65%0.04724%0.235CC..EExtended strand (participates in β ladder)trans-124.2113.4177.7-171.3171.267.100108.6V44 S45 W47 I63 K71 T72 N73 E149V44-Q61 WeakPolarHBondContact CA-O 3.25Å; S45-Q61 PolarHBondContact N-O 2.78Å; S45-Q61 PolarHBondContact O-N 3.34Å; W47-Q61 HydrophobicContact CB-CB 4.47Å; Q61-I63 HydrophobicContact CG-CD1 3.83Å; Q61-I63 HydrophobicContact CG-CG1 3.83Å; Q61-I63 VanDerWaalsContact OE1-CD1 3.32Å; Q61-K71 HydrophobicContact CG-CB 4.44Å; Q61-T72 CarbonylContact C-O 3.59Å; Q61-T72 WeakPolarHBondContact CA-O 3.11Å; Q61-N73 VanDerWaalsContact CG-OD1 3.3Å; Q61-N73 WeakPolarHBondContact CG-OD1 3.49Å; Q61-N73 PolarHBondContact NE2-OD1 3.32Å; Q61-E149 VanDerWaalsContact NE2-CD 3.27Å; Q61-E149 PolarHBondContact NE2-OE1 3.41Å; Q61-E149 PolarHBondContact NE2-OE2 3.19Å
62G96.2Very high94.7Very high0 Ų044.1 Ų44.10%023%0.227CC..EExtended strand (participates in β ladder)trans-84.8132.3169.600000109.6T72G62-T72 PolarHBondContact N-O 3.31Å; G62-T72 PolarHBondContact O-N 3.28Å
63I94.7Very high94.7Very high5 Ų544.8 Ų44.83%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-130133.3-176.3-47.1-169.2000111.2S42 Y43 Q61 E70 K71S42-I63 PolarHBondContact N-O 2.89Å; Y43-I63 HydrophobicContact CD1-CB 3.78Å; Y43-I63 HydrophobicContact CD1-CG2 4.16Å; Y43-I63 HydrophobicContact CD2-CB 4.01Å; Y43-I63 HydrophobicContact CD2-CD1 4.32Å; Y43-I63 HydrophobicContact CD2-CG1 4.25Å; Y43-I63 HydrophobicContact CE1-CB 3.27Å; Y43-I63 HydrophobicContact CE1-CD1 4.43Å; Y43-I63 HydrophobicContact CE1-CG1 4.26Å; Y43-I63 HydrophobicContact CE1-CG2 3.23Å; Y43-I63 HydrophobicContact CE2-CB 3.59Å; Y43-I63 HydrophobicContact CE2-CD1 3.35Å; Y43-I63 HydrophobicContact CE2-CG1 3.67Å; Y43-I63 HydrophobicContact CE2-CG2 4.16Å; Y43-I63 HydrophobicContact CG-CB 4.13Å; Y43-I63 PolarHBondContact N-O 3.44Å; Y43-I63 VanDerWaalsContact N-O 3.14Å; Y43-I63 PolarHBondContact O-N 2.84Å; Y43-I63 WeakPolarHBondContact OH-CD1 3.17Å; Y43-I63 WeakPolarHBondContact OH-CG2 3.37Å; Q61-I63 HydrophobicContact CG-CD1 3.83Å; Q61-I63 HydrophobicContact CG-CG1 3.83Å; Q61-I63 VanDerWaalsContact OE1-CD1 3.32Å; I63-E70 CarbonylContact C-O 3.4Å; I63-E70 VanDerWaalsContact CA-O 3.32Å; I63-E70 WeakPolarHBondContact CA-O 3.21Å; I63-E70 WeakPolarHBondContact CG2-O 3.26Å; I63-K71 HydrophobicContact CD1-CD 4.4Å; I63-K71 HydrophobicContact CD1-CG 4.16Å; I63-K71 HydrophobicContact CG1-CG 4.29Å; I63-K71 HydrophobicContact CG2-CG 4.24Å
64G93.2Very high94.8Very high12 Ų1240.1 Ų40.112%0.12420%0.203CC..  trans-79.4-152.1179.300000113.2S42 E70S42-G64 WeakPolarHBondContact CB-O 3.45Å; S42-G64 PolarHBondContact OG-O 3.24Å; G64-E70 WeakPolarHBondContact CA-OE2 3.46Å; G64-E70 PolarHBondContact N-O 3.46Å
65K91Very high95Very high147 Ų14735 Ų3564%0.63917%0.174SC*.SBendtrans-77-35.5-176.7-63-178.5-178.2174.70112.1E70 Q167K65-E70 PolarHBondContact N-OE2 3.27Å; K65-Q167 VanDerWaalsContact C-NE2 3.33Å; K65-Q167 PolarHBondContact O-NE2 3.22Å
66D93.6Very high95.1Very high9 Ų934.1 Ų34.15%0.04816%0.164CC..SBendtrans-95.9110.2172.9-167.9-41.6000109.1L68 K69 E70 Q167D66-L68 PolarHBondContact O-N 3.03Å; D66-L68 PolarHBondContact OD1-N 3.38Å; D66-K69 HydrophobicContact CB-CB 4.18Å; D66-K69 PolarHBondContact O-N 3.35Å; D66-K69 PolarHBondContact OD1-N 3.39Å; D66-K69 IonicContact OD2-NZ 2.64Å; D66-E70 HydrophobicContact CB-CG 4.25Å; D66-E70 WeakPolarHBondContact O-CB 3.49Å; D66-E70 PolarHBondContact O-N 3.18Å; D66-Q167 HydrophobicContact CB-CG 3.98Å
67V92.5Very high95.1Very high5 Ų536.5 Ų36.53%0.0317%0.172CC..THydrogen-bonded Turntrans-58.6-33.2-175.2169.40000112.2Y43 K71 F160 V168Y43-V67 HydrophobicContact CE1-CG2 3.96Å; Y43-V67 WeakPolarHBondContact OH-CG1 3.28Å; Y43-V67 WeakPolarHBondContact OH-CG2 3.49Å; V67-K71 WeakPolarHBondContact O-CE 3.44Å; V67-K71 WeakPolarHBondContact O-CG 3.15Å; V67-F160 HydrophobicContact CB-CD1 4.42Å; V67-F160 HydrophobicContact CB-CE1 4.22Å; V67-F160 HydrophobicContact CG1-CD1 4.21Å; V67-F160 HydrophobicContact CG1-CD2 4.47Å; V67-F160 HydrophobicContact CG1-CE1 3.74Å; V67-F160 HydrophobicContact CG1-CE2 3.97Å; V67-F160 HydrophobicContact CG1-CZ 3.62Å; V67-F160 HydrophobicContact CG2-CD1 3.98Å; V67-F160 HydrophobicContact CG2-CE1 3.68Å; V67-F160 HydrophobicContact CG2-CZ 4.4Å; V67-V168 HydrophobicContact CB-CG1 4.37Å; V67-V168 PolarHBondContact N-O 3.34Å
68L91.9Very high94.9Very high30 Ų3040.5 Ų40.516%0.15719%0.193CC..THydrogen-bonded Turntrans-89.4-30.2-175.6-63.8-173000113.1D66 V168 C191 F214 L215D66-L68 PolarHBondContact O-N 3.03Å; D66-L68 PolarHBondContact OD1-N 3.38Å; L68-V168 HydrophobicContact CD1-CB 4.32Å; L68-V168 HydrophobicContact CD1-CG1 4.48Å; L68-V168 HydrophobicContact CD1-CG2 3.8Å; L68-V168 HydrophobicContact CG-CB 4.1Å; L68-V168 HydrophobicContact CG-CG1 4.19Å; L68-V168 HydrophobicContact CG-CG2 4.12Å; L68-C191 WeakPolarHBondContact CD2-O 3.15Å; L68-F214 HydrophobicContact CD1-CE2 4.25Å; L68-L215 HydrophobicContact CD1-CD2 4.11Å
69K91.2Very high94.7Very high160 Ų16040.2 Ų40.270%0.69619%0.192SC*.THydrogen-bonded Turntrans-100.9-34-171.6-62.1179.3-172.91650114D66 K71D66-K69 HydrophobicContact CB-CB 4.18Å; D66-K69 PolarHBondContact O-N 3.35Å; D66-K69 PolarHBondContact OD1-N 3.39Å; D66-K69 IonicContact OD2-NZ 2.64Å; K69-K71 PolarHBondContact O-N 3.29Å
70E91.4Very high94.4Very high97 Ų9743.2 Ų43.245%0.45321%0.213SC..  trans-103.162.9-170.1-64.5178.9-176.400110.5I63 G64 K65 D66I63-E70 CarbonylContact C-O 3.4Å; I63-E70 VanDerWaalsContact CA-O 3.32Å; I63-E70 WeakPolarHBondContact CA-O 3.21Å; I63-E70 WeakPolarHBondContact CG2-O 3.26Å; G64-E70 WeakPolarHBondContact CA-OE2 3.46Å; G64-E70 PolarHBondContact N-O 3.46Å; K65-E70 PolarHBondContact N-OE2 3.27Å; D66-E70 HydrophobicContact CB-CG 4.25Å; D66-E70 WeakPolarHBondContact O-CB 3.49Å; D66-E70 PolarHBondContact O-N 3.18Å
71K93.9Very high94.3Very high49 Ų4948 Ų4821%0.21324%0.243CC..EExtended strand (participates in β ladder)trans-107.6140.2178-58.4-175.4-175.2172.90110.9Q61 I63 V67 K69 E149 C191Q61-K71 HydrophobicContact CG-CB 4.44Å; I63-K71 HydrophobicContact CD1-CD 4.4Å; I63-K71 HydrophobicContact CD1-CG 4.16Å; I63-K71 HydrophobicContact CG1-CG 4.29Å; I63-K71 HydrophobicContact CG2-CG 4.24Å; V67-K71 WeakPolarHBondContact O-CE 3.44Å; V67-K71 WeakPolarHBondContact O-CG 3.15Å; K69-K71 PolarHBondContact O-N 3.29Å; K71-E149 WeakPolarHBondContact CD-OE1 3.45Å; K71-E149 WeakPolarHBondContact CE-OE1 3.47Å; K71-E149 IonicContact NZ-OE1 2.89Å; K71-E149 PolarHBondContact NZ-OE1 2.98Å; K71-C191 PolarHBondContact NZ-O 3.11Å
72T95.7Very high94.2Very high51 Ų5149.2 Ų49.231%0.31325%0.247SC..EExtended strand (participates in β ladder)trans-133.2120.6175.3-56.20000108.9F41 Q61 G62 L74 L84F41-T72 HydrophobicContact CZ-CG2 4.16Å; Q61-T72 CarbonylContact C-O 3.59Å; Q61-T72 WeakPolarHBondContact CA-O 3.11Å; G62-T72 PolarHBondContact N-O 3.31Å; G62-T72 PolarHBondContact O-N 3.28Å; T72-L74 HydrophobicContact CG2-CD1 4.49Å; T72-L84 HydrophobicContact CG2-CD2 3.54Å
73N97Very high94.2Very high30 Ų3050.4 Ų50.416%0.1626%0.259CS..EExtended strand (participates in β ladder)trans-93133.4-180-66.1-23.7000109.7Q61 L85Q61-N73 VanDerWaalsContact CG-OD1 3.3Å; Q61-N73 WeakPolarHBondContact CG-OD1 3.49Å; Q61-N73 PolarHBondContact NE2-OD1 3.32Å; N73-L85 HydrophobicContact CB-CB 4.21Å; N73-L85 HydrophobicContact CB-CD1 3.9Å; N73-L85 PolarHBondContact O-N 3.36Å
74L97.4Very high94.3Very high5 Ų555.3 Ų55.33%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-124.3146.3175.4-56.399.4000109.2L35 F41 I59 A60 T72 W82 G83 L84L35-L74 HydrophobicContact CD2-CD2 3.84Å; F41-L74 HydrophobicContact CE2-CD1 4.27Å; F41-L74 HydrophobicContact CZ-CD1 4.5Å; I59-L74 WeakPolarHBondContact CA-O 3.39Å; A60-L74 PolarHBondContact N-O 2.71Å; A60-L74 PolarHBondContact O-N 3.06Å; T72-L74 HydrophobicContact CG2-CD1 4.49Å; L74-W82 HydrophobicContact CB-CB 4.45Å; L74-W82 HydrophobicContact CB-CE3 3.85Å; L74-W82 HydrophobicContact CD2-CB 4.18Å; L74-G83 CarbonylContact C-O 3.55Å; L74-G83 WeakPolarHBondContact CA-O 3.31Å; L74-G83 WeakPolarHBondContact CB-O 3.26Å; L74-L84 HydrophobicContact CD2-CD2 3.86Å; L74-L84 HydrophobicContact CD2-CG 4.5Å; L74-L84 HydrophobicContact CG-CD2 3.95Å
75Y97.7Very high94.4Very high34 Ų3455.4 Ų55.413%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-120.7154.6175.477.8-81.9000111.4Y57 F58 W82 G83 L85 P107 E138Y57-Y75 AromaticContact CD1-CD2 3.98Å; Y57-Y75 HydrophobicContact CD1-CD2 3.98Å; Y57-Y75 HydrophobicContact CE1-CD2 4.32Å; Y57-Y75 HydrophobicContact CE1-CE2 4.49Å; F58-Y75 CarbonylContact O-C 3.42Å; F58-Y75 VanDerWaalsContact O-CA 3.31Å; F58-Y75 WeakPolarHBondContact O-CA 3.28Å; Y75-W82 CarbonylContact O-C 3.55Å; Y75-W82 WeakPolarHBondContact O-CA 3.38Å; Y75-G83 WeakPolarHBondContact CD1-O 3.4Å; Y75-G83 PolarHBondContact N-O 3.44Å; Y75-G83 PolarHBondContact O-N 3.17Å; Y75-L85 HydrophobicContact CD1-CD2 3.49Å; Y75-L85 VanDerWaalsContact CD1-CD2 3.49Å; Y75-L85 HydrophobicContact CD1-CG 3.69Å; Y75-L85 HydrophobicContact CE1-CD2 4.07Å; Y75-L85 HydrophobicContact CG-CD2 4.04Å; Y75-L85 HydrophobicContact CG-CG 4.3Å; Y75-P107 HydrophobicContact CE2-CB 4.46Å; Y75-P107 HydrophobicContact CE2-CG 3.76Å; Y75-E138 HydrophobicContact CE1-CG 4.44Å; Y75-E138 VanDerWaalsContact CE1-OE1 3.27Å; Y75-E138 WeakPolarHBondContact CE1-OE1 3.21Å; Y75-E138 PolarHBondContact OH-OE1 2.91Å
76S97.1Very high94.7Very high2 Ų250.6 Ų50.61%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-146.1149174.5179.80000109.7F58 D78 C79 T81F58-S76 PolarHBondContact N-O 2.85Å; F58-S76 PolarHBondContact O-N 3.06Å; S76-D78 PolarHBondContact OG-N 2.79Å; S76-D78 PolarHBondContact OG-OD1 3.31Å; S76-C79 WeakPolarHBondContact OG-CA 3.46Å; S76-C79 PolarHBondContact OG-N 3Å; S76-T81 WeakPolarHBondContact CA-O 3.39Å; S76-T81 WeakPolarHBondContact CB-O 3.42Å; S76-T81 PolarHBondContact OG-O 2.96Å
77K95.2Very high94.8Very high109 Ų10956.7 Ų56.747%0.47430%0.303SS..SBendtrans-100.1-15.6171.6-70.4-17556.5172.10113.1Y57 G105Y57-K77 HydrophobicContact CD1-CG 4.07Å; Y57-K77 HydrophobicContact CE1-CD 4.24Å; Y57-K77 HydrophobicContact CE1-CG 4.07Å; K77-G105 VanDerWaalsContact CE-O 3.32Å; K77-G105 WeakPolarHBondContact CE-O 3.12Å; K77-G105 PolarHBondContact NZ-O 2.95Å
78D93Very high94.9Very high85 Ų8557.5 Ų57.546%0.45531%0.309SS..SBendtrans-128.16.5-170.6650.2000113.1S76 S80 T81S76-D78 PolarHBondContact OG-N 2.79Å; S76-D78 PolarHBondContact OG-OD1 3.31Å; D78-S80 PolarHBondContact O-N 2.98Å; D78-S80 PolarHBondContact O-OG 3.22Å; D78-S80 PolarHBondContact OD1-N 3.14Å; D78-T81 PolarHBondContact OD1-N 3.02Å; D78-T81 PolarHBondContact OD2-OG1 3.35Å
79C93.3Very high95Very high4 Ų457.5 Ų57.53%0.02732%0.316CS..SBendtrans60.23.2-172.7-60.60000115.4T27 L28 T31 F58 S76T27-C79 HydrophobicContact CG2-CB 3.95Å; T27-C79 WeakPolarHBondContact CG2-O 3.32Å; L28-C79 HydrophobicContact CD2-CB 3.74Å; L28-C79 HydrophobicContact CG-CB 3.94Å; T31-C79 WeakPolarHBondContact CG2-O 3.39Å; T31-C79 PolarHBondContact OG1-O 3.1Å; F58-C79 WeakPolarHBondContact CD1-SG 3.22Å; F58-C79 WeakPolarHBondContact CG-SG 3.11Å; S76-C79 WeakPolarHBondContact OG-CA 3.46Å; S76-C79 PolarHBondContact OG-N 3Å
80S92.9Very high95.2Very high63 Ų6358.7 Ų58.744%0.44132%0.321SS..SBendtrans-112.7-51.7-171-56.70000111.2T27 D78T27-S80 VanDerWaalsContact CG2-OG 3.3Å; T27-S80 WeakPolarHBondContact CG2-OG 3.06Å; D78-S80 PolarHBondContact O-N 2.98Å; D78-S80 PolarHBondContact O-OG 3.22Å; D78-S80 PolarHBondContact OD1-N 3.14Å
81T94.1Very high95.3Very high101 Ų10162 Ų6262%0.6234%0.337SS*.SBendtrans-98.1123.5-179.9-46.60000109.2S76 D78S76-T81 WeakPolarHBondContact CA-O 3.39Å; S76-T81 WeakPolarHBondContact CB-O 3.42Å; S76-T81 PolarHBondContact OG-O 2.96Å; D78-T81 PolarHBondContact OD1-N 3.02Å; D78-T81 PolarHBondContact OD2-OG1 3.35Å
82W96.2Very high95.3Very high36 Ų3662.5 Ų62.514%0.13634%0.342CS..  trans-112.7122.3-176-67.592000111.1L28 T31 L32 L35 F58 A60 L74 Y75L28-W82 HydrophobicContact CD2-CH2 4.11Å; L28-W82 HydrophobicContact CD2-CZ2 3.67Å; T31-W82 PolarHBondContact OG1-NE1 3.03Å; L32-W82 HydrophobicContact CD2-CH2 4.04Å; L32-W82 HydrophobicContact CD2-CZ2 3.63Å; L32-W82 HydrophobicContact CG-CZ2 4.46Å; L35-W82 HydrophobicContact CD1-CB 4.17Å; L35-W82 VanDerWaalsContact CD1-CD1 3.49Å; L35-W82 HydrophobicContact CD1-CD2 3.61Å; L35-W82 HydrophobicContact CD1-CE3 4.38Å; L35-W82 HydrophobicContact CD1-CG 3.5Å; L35-W82 HydrophobicContact CD1-CZ2 4.43Å; L35-W82 HydrophobicContact CD2-CB 4.06Å; L35-W82 HydrophobicContact CD2-CG 4.22Å; L35-W82 HydrophobicContact CG-CG 4.2Å; F58-W82 HydrophobicContact CB-CH2 4.35Å; F58-W82 WeakPolarHBondContact O-CZ3 3.4Å; A60-W82 HydrophobicContact CB-CE3 3.88Å; A60-W82 HydrophobicContact CB-CH2 3.46Å; A60-W82 VanDerWaalsContact CB-CH2 3.46Å; A60-W82 HydrophobicContact CB-CZ2 4.14Å; A60-W82 HydrophobicContact CB-CZ3 3.31Å; A60-W82 VanDerWaalsContact N-CZ3 3.34Å; L74-W82 HydrophobicContact CB-CB 4.45Å; L74-W82 HydrophobicContact CB-CE3 3.85Å; L74-W82 HydrophobicContact CD2-CB 4.18Å; Y75-W82 CarbonylContact O-C 3.55Å; Y75-W82 WeakPolarHBondContact O-CA 3.38Å
83G95.7Very high95.3Very high25 Ų2561 Ų6126%0.25833%0.331SS..EExtended strand (participates in β ladder)trans-96.8147.1170.700000111.1L74 Y75L74-G83 CarbonylContact C-O 3.55Å; L74-G83 WeakPolarHBondContact CA-O 3.31Å; L74-G83 WeakPolarHBondContact CB-O 3.26Å; Y75-G83 WeakPolarHBondContact CD1-O 3.4Å; Y75-G83 PolarHBondContact N-O 3.44Å; Y75-G83 PolarHBondContact O-N 3.17Å
84L96.4Very high95.2Very high107 Ų10764.7 Ų64.756%0.5635%0.348SS*.EExtended strand (participates in β ladder)trans-76131.9172-72.3164.7000109.5T72 L74T72-L84 HydrophobicContact CG2-CD2 3.54Å; L74-L84 HydrophobicContact CD2-CD2 3.86Å; L74-L84 HydrophobicContact CD2-CG 4.5Å; L74-L84 HydrophobicContact CG-CD2 3.95Å
85L96.2Very high95Very high15 Ų1567.6 Ų67.68%0.07936%0.36CS..PPolyproline II helixtrans-78.9141.8170.2-76.3167.7000110.3I59 N73 Y75 E138 L141 A142 I145I59-L85 HydrophobicContact CD1-CD1 4.4Å; N73-L85 HydrophobicContact CB-CB 4.21Å; N73-L85 HydrophobicContact CB-CD1 3.9Å; N73-L85 PolarHBondContact O-N 3.36Å; Y75-L85 HydrophobicContact CD1-CD2 3.49Å; Y75-L85 VanDerWaalsContact CD1-CD2 3.49Å; Y75-L85 HydrophobicContact CD1-CG 3.69Å; Y75-L85 HydrophobicContact CE1-CD2 4.07Å; Y75-L85 HydrophobicContact CG-CD2 4.04Å; Y75-L85 HydrophobicContact CG-CG 4.3Å; L85-E138 HydrophobicContact CD2-CG 4.47Å; L85-L141 HydrophobicContact CD2-CD2 3.99Å; L85-L141 HydrophobicContact CD2-CG 4.23Å; L85-A142 HydrophobicContact CB-CB 4.34Å; L85-A142 HydrophobicContact CD2-CB 4.34Å; L85-I145 HydrophobicContact CD1-CD1 3.39Å
86P96Very high94.9Very high45 Ų4566.1 Ų66.129%0.29236%0.355SS..PPolyproline II helixtrans-63.4150.317027.3-32.2000110.3P88 E138 D139 A142P86-P88 WeakPolarHBondContact O-CD 3.35Å; P86-E138 HydrophobicContact CG-CG 4.32Å; P86-D139 VanDerWaalsContact CG-OD1 3.32Å; P86-D139 WeakPolarHBondContact CG-OD1 3.44Å; P86-A142 HydrophobicContact CG-CB 4.05Å; P86-A142 VanDerWaalsContact O-CB 3.25Å; P86-A142 WeakPolarHBondContact O-CB 3.37Å
87V95.3Very high94.7Very high137 Ų13770.3 Ų70.383%0.8337%0.373SS*.  trans-84.1114.6172.7-179.30000107.6
88P95Very high94.6Very high22 Ų2267.6 Ų67.614%0.14336%0.363CS..  trans-70.9136.8-173.230.5-35.9000110.8P86 D92 I93 A143 Y146P86-P88 WeakPolarHBondContact O-CD 3.35Å; P88-D92 HydrophobicContact CB-CB 4.33Å; P88-I93 HydrophobicContact CB-CG1 4.05Å; P88-I93 HydrophobicContact CG-CD1 4.41Å; P88-I93 HydrophobicContact CG-CG1 4.19Å; P88-A143 HydrophobicContact CB-CB 4.11Å; P88-Y146 HydrophobicContact CG-CD2 4.41Å; P88-Y146 HydrophobicContact CG-CG 4.1Å
89G94.8Very high94.5Very high31 Ų3164.1 Ų64.132%0.3234%0.344SS..  trans-73.9165.417100000111.7Q91 D92 I93G89-Q91 PolarHBondContact O-N 3.01Å; G89-D92 PolarHBondContact N-OD2 3.28Å; G89-D92 PolarHBondContact O-N 3.32Å; G89-D92 VanDerWaalsContact O-N 3.11Å; G89-I93 WeakPolarHBondContact O-CG1 3.13Å; G89-I93 PolarHBondContact O-N 3.15Å
90K95Very high94.2Very high185 Ų18572.2 Ų72.280%0.80438%0.379SS*.Hα-helixtrans-56.6-38175.5-67.2-171.5179.1-175.30112.5I93 E94K90-I93 PolarHBondContact O-N 2.9Å; K90-E94 PolarHBondContact O-N 3.43Å; K90-E94 VanDerWaalsContact O-N 3.17Å
91Q94.2Very high94Very high166 Ų16673.5 Ų73.578%0.77638%0.379SS*.Hα-helixtrans-66.5-42.2177.5-68.8179-6.600111.5G89 I93 E94 K95G89-Q91 PolarHBondContact O-N 3.01Å; Q91-I93 VanDerWaalsContact C-N 3.31Å; Q91-I93 PolarHBondContact O-N 3.1Å; Q91-E94 PolarHBondContact O-N 2.93Å; Q91-K95 WeakPolarHBondContact O-CB 3.1Å; Q91-K95 PolarHBondContact O-N 2.85Å
92D93.8Very high93.9Very high60 Ų6075.1 Ų75.132%0.32137%0.374SS..Hα-helixtrans-65.3-37.1178.5-53.8-48.1000111.7P88 G89 K95 S96 M135P88-D92 HydrophobicContact CB-CB 4.33Å; G89-D92 PolarHBondContact N-OD2 3.28Å; G89-D92 PolarHBondContact O-N 3.32Å; G89-D92 VanDerWaalsContact O-N 3.11Å; D92-K95 PolarHBondContact O-N 2.85Å; D92-S96 WeakPolarHBondContact O-CB 3.5Å; D92-S96 PolarHBondContact O-N 2.88Å; D92-M135 HydrophobicContact CB-CE 4.09Å; D92-M135 WeakPolarHBondContact O-CE 3.44Å
93I95.7Very high93.9Very high18 Ų1873.5 Ų73.59%0.09237%0.368CS..Hα-helixtrans-62.4-48.6175.4-65.7159.3000110.7P88 G89 K90 Q91 S96 Y146 R147P88-I93 HydrophobicContact CB-CG1 4.05Å; P88-I93 HydrophobicContact CG-CD1 4.41Å; P88-I93 HydrophobicContact CG-CG1 4.19Å; G89-I93 WeakPolarHBondContact O-CG1 3.13Å; G89-I93 PolarHBondContact O-N 3.15Å; K90-I93 PolarHBondContact O-N 2.9Å; Q91-I93 VanDerWaalsContact C-N 3.31Å; Q91-I93 PolarHBondContact O-N 3.1Å; I93-S96 PolarHBondContact O-N 2.81Å; I93-S96 PolarHBondContact O-OG 3.08Å; I93-Y146 HydrophobicContact CD1-CD1 3.34Å; I93-Y146 HydrophobicContact CD1-CE1 3.38Å; I93-Y146 HydrophobicContact CD1-CG 4.08Å; I93-Y146 HydrophobicContact CG1-CD1 3.91Å; I93-Y146 HydrophobicContact CG1-CE1 4.39Å; I93-R147 HydrophobicContact CG2-CG 3.85Å
94E94.9Very high94Very high108 Ų10873.3 Ų73.351%0.50536%0.362SS..Hα-helixtrans-65.7-44.1177.7-67.1-51.7130.700111.6K90 Q91 S96 K97K90-E94 PolarHBondContact O-N 3.43Å; K90-E94 VanDerWaalsContact O-N 3.17Å; Q91-E94 PolarHBondContact O-N 2.93Å; E94-S96 VanDerWaalsContact C-N 3.27Å; E94-S96 PolarHBondContact O-N 3.04Å; E94-K97 WeakPolarHBondContact O-CB 3.15Å; E94-K97 PolarHBondContact O-N 3.07Å; E94-K97 VanDerWaalsContact O-N 3.12Å; E94-K97 IonicContact OE1-NZ 2.68Å; E94-K97 PolarHBondContact OE1-NZ 2.69Å; E94-K97 WeakPolarHBondContact OE2-CE 3.29Å; E94-K97 IonicContact OE2-NZ 3.97Å; E94-K97 PolarHBondContact OE2-NZ 2.93Å
95K93Very high93.9Very high67 Ų6768.3 Ų68.329%0.29134%0.336SS..Hα-helixtrans-58.6-38.1176.2-172.2-179.2-176.7179.40112Q91 D92 K97 L98 F99 I133 T134 M135Q91-K95 WeakPolarHBondContact O-CB 3.1Å; Q91-K95 PolarHBondContact O-N 2.85Å; D92-K95 PolarHBondContact O-N 2.85Å; K95-K97 PolarHBondContact O-N 2.86Å; K95-K97 VanDerWaalsContact O-N 3.14Å; K95-L98 WeakPolarHBondContact O-CB 3.23Å; K95-L98 PolarHBondContact O-N 2.85Å; K95-L98 VanDerWaalsContact O-N 3.14Å; K95-F99 HydrophobicContact CG-CE2 4.11Å; K95-F99 WeakPolarHBondContact O-CD2 3.48Å; K95-I133 HydrophobicContact CD-CG2 4.25Å; K95-I133 HydrophobicContact CG-CG2 4.09Å; K95-T134 WeakPolarHBondContact CE-O 3.49Å; K95-T134 PolarHBondContact NZ-O 2.8Å; K95-M135 HydrophobicContact CG-SD 4.39Å
96S94Very high93.9Very high2 Ų271.3 Ų71.31%0.01435%0.352CS..Hα-helixtrans-59.6-26.3178.679.80000113.6D92 I93 E94 L98 F99D92-S96 WeakPolarHBondContact O-CB 3.5Å; D92-S96 PolarHBondContact O-N 2.88Å; I93-S96 PolarHBondContact O-N 2.81Å; I93-S96 PolarHBondContact O-OG 3.08Å; E94-S96 VanDerWaalsContact C-N 3.27Å; E94-S96 PolarHBondContact O-N 3.04Å; S96-L98 VanDerWaalsContact C-N 3.29Å; S96-L98 PolarHBondContact O-N 3.35Å; S96-F99 PolarHBondContact O-N 3.18Å
97K93.7Very high93.8Very high90 Ų9070 Ų7039%0.39134%0.344SS..THydrogen-bonded Turntrans-71.7-23-179.1-59.7175.2-1731700112.8E94 K95 F99E94-K97 WeakPolarHBondContact O-CB 3.15Å; E94-K97 PolarHBondContact O-N 3.07Å; E94-K97 VanDerWaalsContact O-N 3.12Å; E94-K97 IonicContact OE1-NZ 2.68Å; E94-K97 PolarHBondContact OE1-NZ 2.69Å; E94-K97 WeakPolarHBondContact OE2-CE 3.29Å; E94-K97 IonicContact OE2-NZ 3.97Å; E94-K97 PolarHBondContact OE2-NZ 2.93Å; K95-K97 PolarHBondContact O-N 2.86Å; K95-K97 VanDerWaalsContact O-N 3.14Å; K97-F99 VanDerWaalsContact C-N 3.34Å
98L92.6Very high93.8Very high53 Ų5367.4 Ų67.428%0.27733%0.332SS..THydrogen-bonded Turntrans-69.7-35.1178.9-59.3174.7000111.4K95 S96 K100 Y113 I133K95-L98 WeakPolarHBondContact O-CB 3.23Å; K95-L98 PolarHBondContact O-N 2.85Å; K95-L98 VanDerWaalsContact O-N 3.14Å; S96-L98 VanDerWaalsContact C-N 3.29Å; S96-L98 PolarHBondContact O-N 3.35Å; L98-K100 PolarHBondContact O-N 3.47Å; L98-Y113 HydrophobicContact CB-CD1 4.11Å; L98-Y113 HydrophobicContact CB-CD2 4.48Å; L98-Y113 HydrophobicContact CB-CE1 4.21Å; L98-Y113 HydrophobicContact CB-CG 4.25Å; L98-Y113 HydrophobicContact CD1-CD1 4.27Å; L98-Y113 HydrophobicContact CD1-CE1 4.38Å; L98-Y113 HydrophobicContact CD2-CE1 4.29Å; L98-I133 HydrophobicContact CD1-CD1 3.94Å
99F91.9Very high93.8Very high11 Ų1169.5 Ų69.55%0.04834%0.339CS..  trans-82.9107.4-177.9-59.7-86.5000110.6K95 S96 K97 A111 I133 M135 R140K95-F99 HydrophobicContact CG-CE2 4.11Å; K95-F99 WeakPolarHBondContact O-CD2 3.48Å; S96-F99 PolarHBondContact O-N 3.18Å; K97-F99 VanDerWaalsContact C-N 3.34Å; F99-A111 HydrophobicContact CD1-CB 3.67Å; F99-A111 HydrophobicContact CE1-CB 3.79Å; F99-A111 WeakPolarHBondContact CE1-O 3.46Å; F99-I133 HydrophobicContact CZ-CG2 4.32Å; F99-M135 HydrophobicContact CD2-CB 4.17Å; F99-M135 HydrophobicContact CD2-SD 4.02Å; F99-M135 HydrophobicContact CE1-CB 4.32Å; F99-M135 HydrophobicContact CE2-CB 3.43Å; F99-M135 VanDerWaalsContact CE2-CB 3.43Å; F99-M135 HydrophobicContact CE2-CG 4.28Å; F99-M135 HydrophobicContact CE2-SD 3.93Å; F99-M135 HydrophobicContact CZ-CB 3.52Å; F99-R140 VanDerWaalsContact CB-CZ 3.48Å; F99-R140 VanDerWaalsContact CB-NE 3.26Å; F99-R140 PolarHBondContact O-NH2 3.44Å
100K86.9Confident93.8Very high174 Ų17473.6 Ų73.676%0.75735%0.35SS*.  trans-94-11.2178.5-62.4-175.6-179.3-179.10114.3L98L98-K100 PolarHBondContact O-N 3.47Å
101M88.8Confident93.7Very high90 Ų9065 Ų6544%0.44331%0.314SS..SBendtrans-72.2150.6-177.468-167.3-59.200112.3A111 R140M101-A111 HydrophobicContact SD-CB 4.08Å; M101-R140 PolarHBondContact O-NH1 3.43Å; M101-R140 PolarHBondContact O-NH2 2.68Å
102R92.6Very high93.6Very high135 Ų13563.4 Ų63.451%0.50931%0.306SS..PPolyproline II helixtrans-62.3151.8173.6-68.3-176-178177.51.2111.7I53 E268I53-R102 HydrophobicContact CD1-CB 4.14Å; I53-R102 HydrophobicContact CG1-CB 3.87Å; R102-E268 WeakPolarHBondContact CG-OE1 3.47Å; R102-E268 IonicContact NE-OE1 2.69Å
103L96.3Very high93.4Very high2 Ų264.7 Ų64.71%0.0131%0.307CS..PPolyproline II helixtrans-64141.1171.1-58.9176.8000109.4I50 G52 I53 Y57 E137 R140 L141 I144I50-L103 HydrophobicContact CG2-CD1 3.58Å; G52-L103 CarbonylContact C-O 3.57Å; G52-L103 WeakPolarHBondContact CA-O 3.39Å; I53-L103 PolarHBondContact N-O 3.08Å; Y57-L103 HydrophobicContact CD2-CD1 4.18Å; Y57-L103 HydrophobicContact CE2-CB 4.23Å; Y57-L103 HydrophobicContact CE2-CD1 4.12Å; L103-E137 HydrophobicContact CB-CG 4.3Å; L103-E137 HydrophobicContact CD2-CG 3.71Å; L103-E137 HydrophobicContact CG-CG 4.49Å; L103-R140 HydrophobicContact CD2-CG 4.23Å; L103-L141 HydrophobicContact CD1-CB 4.24Å; L103-L141 HydrophobicContact CD1-CD1 3.72Å; L103-I144 HydrophobicContact CD2-CD1 4.25Å
104T96Very high93.2Very high21 Ų2168.1 Ų68.113%0.12933%0.325CS..  trans-76.5-28.1-177.266.50000112.1N54 D106 H109 E137N54-T104 VanDerWaalsContact CB-O 3.28Å; N54-T104 WeakPolarHBondContact CB-O 3.39Å; N54-T104 PolarHBondContact N-O 3.18Å; T104-D106 PolarHBondContact OG1-N 3.18Å; T104-H109 WeakPolarHBondContact CG2-CD2 3.35Å; T104-E137 VanDerWaalsContact CB-OE2 3.32Å; T104-E137 WeakPolarHBondContact CB-OE2 3.24Å; T104-E137 VanDerWaalsContact N-CD 3.31Å; T104-E137 PolarHBondContact N-OE1 3.3Å; T104-E137 PolarHBondContact N-OE2 3.27Å; T104-E137 PolarHBondContact OG1-OE1 2.96Å; T104-E137 PolarHBondContact OG1-OE2 2.86Å
105G95.3Very high92.8Very high3 Ų365.6 Ų65.63%0.03131%0.313CS..SBendtrans95.18.1-17000000113.2G55 Y57 K77 E137G55-G105 WeakPolarHBondContact O-CA 3.4Å; Y57-G105 WeakPolarHBondContact OH-CA 3.44Å; K77-G105 VanDerWaalsContact CE-O 3.32Å; K77-G105 WeakPolarHBondContact CE-O 3.12Å; K77-G105 PolarHBondContact NZ-O 2.95Å; G105-E137 WeakPolarHBondContact CA-OE1 3.07Å; G105-E137 PolarHBondContact N-OE1 2.62Å
106D95.4Very high92.5Very high77 Ų7766.1 Ų66.141%0.41232%0.321SS..  trans-113.9112.1170-176.8-0.6000110.7Y57 T104 S108 H109 E137Y57-D106 PolarHBondContact OH-N 2.73Å; Y57-D106 VanDerWaalsContact OH-N 3.11Å; T104-D106 PolarHBondContact OG1-N 3.18Å; D106-S108 PolarHBondContact O-N 2.8Å; D106-S108 VanDerWaalsContact O-N 3.07Å; D106-S108 PolarHBondContact OD1-N 2.93Å; D106-H109 HydrophobicContact CB-CB 4.19Å; D106-H109 WeakPolarHBondContact O-CB 3.47Å; D106-H109 PolarHBondContact O-N 3.08Å; D106-E137 PolarHBondContact N-OE1 2.98Å; D106-E137 WeakPolarHBondContact O-CB 3.42Å; D106-E137 VanDerWaalsContact O-CD 3.32Å
107P94.7Very high92.1Very high18 Ų1869.7 Ų69.712%0.11734%0.337CS..THydrogen-bonded Turntrans-55.7-26.7177.7-26.133.6000114.2Y57 Y75 K136 E138Y57-P107 HydrophobicContact CE1-CG 3.94Å; Y57-P107 WeakPolarHBondContact OH-CD 3.47Å; Y75-P107 HydrophobicContact CE2-CB 4.46Å; Y75-P107 HydrophobicContact CE2-CG 3.76Å; P107-K136 WeakPolarHBondContact O-CE 3.33Å; P107-K136 WeakPolarHBondContact O-CG 3.41Å; P107-E138 HydrophobicContact CB-CB 4.15Å; P107-E138 WeakPolarHBondContact O-CB 3.49Å; P107-E138 PolarHBondContact O-N 3.13Å
108S94.9Very high91.6Very high82 Ų8271.1 Ų71.157%0.57335%0.345SS*.THydrogen-bonded Turntrans-87.2-7.8-177.2-52.40000113.4D106D106-S108 PolarHBondContact O-N 2.8Å; D106-S108 VanDerWaalsContact O-N 3.07Å; D106-S108 PolarHBondContact OD1-N 2.93Å
109H94.9Very high91Very high66 Ų6671.4 Ų71.431%0.30635%0.349SS..  trans-65.4137.7179179.763.6000110.9T104 D106 K136 E137T104-H109 WeakPolarHBondContact CG2-CD2 3.35Å; D106-H109 HydrophobicContact CB-CB 4.19Å; D106-H109 WeakPolarHBondContact O-CB 3.47Å; D106-H109 PolarHBondContact O-N 3.08Å; H109-K136 CarbonylContact O-C 3.43Å; H109-K136 WeakPolarHBondContact O-CA 3.42Å; H109-E137 HydrophobicContact CB-CB 4.27Å; H109-E137 IonicContact CD2-OE2 2.71Å; H109-E137 WeakPolarHBondContact O-CB 3.39Å; H109-E137 PolarHBondContact O-N 2.79Å
110E94.5Very high90.1Very high118 Ų11876.4 Ų76.455%0.55138%0.382SS*.EExtended strand (participates in β ladder)trans-106.6117.8173.5-67.9-172.9-175.600109.2
111A93Very high89.5Confident4 Ų469.5 Ų69.53%0.03336%0.36CS..EExtended strand (participates in β ladder)trans-84141.1174.300000109.8F99 M101 T134 M135F99-A111 HydrophobicContact CD1-CB 3.67Å; F99-A111 HydrophobicContact CE1-CB 3.79Å; F99-A111 WeakPolarHBondContact CE1-O 3.46Å; M101-A111 HydrophobicContact SD-CB 4.08Å; A111-T134 CarbonylContact O-C 3.43Å; A111-T134 VanDerWaalsContact O-CA 3.26Å; A111-T134 WeakPolarHBondContact O-CA 3.41Å; A111-M135 PolarHBondContact N-O 2.85Å; A111-M135 PolarHBondContact O-N 3.34Å
112E92.7Very high88.5Confident133 Ų13374.3 Ų74.362%0.62138%0.382SS*.EExtended strand (participates in β ladder)trans-111.8138.4179.2-66.2-177.2172.700110.4L132 T134E112-L132 HydrophobicContact CB-CD1 3.95Å; E112-L132 HydrophobicContact CG-CD1 4.24Å; E112-T134 HydrophobicContact CG-CG2 4.17Å
113Y90.7Very high87.7Confident86 Ų8671.2 Ų71.234%0.33739%0.391SS..EExtended strand (participates in β ladder)trans-135.5128173.9178.1-96.1000108.9L98 E115 I133L98-Y113 HydrophobicContact CB-CD1 4.11Å; L98-Y113 HydrophobicContact CB-CD2 4.48Å; L98-Y113 HydrophobicContact CB-CE1 4.21Å; L98-Y113 HydrophobicContact CB-CG 4.25Å; L98-Y113 HydrophobicContact CD1-CD1 4.27Å; L98-Y113 HydrophobicContact CD1-CE1 4.38Å; L98-Y113 HydrophobicContact CD2-CE1 4.29Å; Y113-E115 HydrophobicContact CD1-CB 4.28Å; Y113-E115 HydrophobicContact CE1-CB 3.86Å; Y113-E115 HydrophobicContact CE1-CG 4.37Å; Y113-I133 HydrophobicContact CD1-CD1 4.38Å; Y113-I133 PolarHBondContact N-O 3.05Å; Y113-I133 PolarHBondContact O-N 2.9Å
114I90.4Very high86.7Confident90 Ų9079.5 Ų79.546%0.46244%0.436SS..EExtended strand (participates in β ladder)trans-98.4113.1177.3-59.2173.8000107.8E130 L132I114-E130 HydrophobicContact CG2-CB 3.79Å; I114-E130 HydrophobicContact CG2-CG 4.03Å; I114-L132 HydrophobicContact CG1-CD1 4.1Å
115E87.6Confident85.6Confident56 Ų5685.7 Ų85.726%0.26246%0.463SS..EExtended strand (participates in β ladder)trans-91115.7173.5-170.2173.5-14300109.4Y113 K117 E131 I133Y113-E115 HydrophobicContact CD1-CB 4.28Å; Y113-E115 HydrophobicContact CE1-CB 3.86Å; Y113-E115 HydrophobicContact CE1-CG 4.37Å; E115-K117 HydrophobicContact CG-CG 4.31Å; E115-K117 WeakPolarHBondContact OE2-CE 3.37Å; E115-K117 IonicContact OE2-NZ 3.67Å; E115-K117 PolarHBondContact OE2-NZ 2.89Å; E115-E131 PolarHBondContact N-O 2.73Å; E115-E131 PolarHBondContact O-N 3.44Å; E115-I133 HydrophobicContact CB-CD1 3.96Å
116V86.5Confident84.6Confident77 Ų7790.9 Ų90.947%0.46749%0.49SS..EExtended strand (participates in β ladder)trans-88.9113.2175-172.10000108.6E128 E130V116-E128 HydrophobicContact CG1-CB 4.04Å; V116-E128 HydrophobicContact CG1-CG 4.11Å; V116-E130 HydrophobicContact CG2-CG 4.33Å
117K85.7Confident83.7Confident78 Ų7889.3 Ų89.334%0.33949%0.487SS..EExtended strand (participates in β ladder)trans-104.4130.8175.1-69.8177.8179.5157.30109.8E115 E128 T129 E131E115-K117 HydrophobicContact CG-CG 4.31Å; E115-K117 WeakPolarHBondContact OE2-CE 3.37Å; E115-K117 IonicContact OE2-NZ 3.67Å; E115-K117 PolarHBondContact OE2-NZ 2.89Å; K117-E128 WeakPolarHBondContact O-CA 3.43Å; K117-T129 PolarHBondContact N-O 2.93Å; K117-T129 PolarHBondContact O-N 2.82Å; K117-T129 PolarHBondContact O-OG1 3.47Å; K117-T129 VanDerWaalsContact O-OG1 3.11Å; K117-E131 IonicContact NZ-OE2 2.62Å; K117-E131 PolarHBondContact NZ-OE2 3.35Å
118Q82.3Confident83.1Confident119 Ų11994.7 Ų94.756%0.55651%0.511SS*.EExtended strand (participates in β ladder)trans-88.7114.7168.8-74.4179.4-5.400109A127 E128Q118-A127 WeakPolarHBondContact CA-O 3.42Å; Q118-E128 HydrophobicContact CG-CG 3.73Å; Q118-E128 PolarHBondContact NE2-OE1 3.37Å
119V79.8Confident82.6Confident60 Ų6093.9 Ų93.936%0.36450%0.503SS..EExtended strand (participates in β ladder)trans-106.2147173.4-70.10000109.6G121 A127 T129V119-G121 PolarHBondContact O-N 2.76Å; V119-G121 VanDerWaalsContact O-N 3.13Å; V119-A127 HydrophobicContact CG2-CB 4.19Å; V119-A127 WeakPolarHBondContact CG2-O 3Å; V119-A127 PolarHBondContact N-O 2.97Å; V119-A127 PolarHBondContact O-N 3.31Å; V119-T129 HydrophobicContact CG2-CG2 3.77Å
120P73.5Confident82.3Confident116 Ų11697.6 Ų97.675%0.75352%0.52SS*.EExtended strand (participates in β ladder)trans-59.2120.2174.3-18.830.6000109.8
121G74.9Confident82Confident28 Ų2896.5 Ų96.529%0.28952%0.515SS..  trans-81.4-165.9172.100000111.7V119 G123 E125V119-G121 PolarHBondContact O-N 2.76Å; V119-G121 VanDerWaalsContact O-N 3.13Å; G121-G123 PolarHBondContact O-N 2.91Å; G121-E125 WeakPolarHBondContact CA-O 3.17Å; G121-E125 PolarHBondContact N-O 3.41Å
122E67.7Low82Confident192 Ų192101 Ų10190%0.89754%0.538SS*.SBendtrans-73.9117.7171.9-76.1-170.4159.700110.3
123G75.7Confident82Confident69 Ų6995.7 Ų95.771%0.71151%0.514SS*.THydrogen-bonded Turntrans87.6-138.4-178.900000112.9G121 E125G121-G123 PolarHBondContact O-N 2.91Å; G123-E125 VanDerWaalsContact C-N 3.34Å
124D75.9Confident82.2Confident176 Ų17694.2 Ų94.294%0.94151%0.514SS*.THydrogen-bonded Turntrans-90.36177.6-72.4-28.8000112.8
125E71.5Confident82.4Confident152 Ų15290.2 Ų90.271%0.7149%0.493SS*.PPolyproline II helixtrans-80.8133.4178-67.5-172171.100111.1G121 G123G121-E125 WeakPolarHBondContact CA-O 3.17Å; G121-E125 PolarHBondContact N-O 3.41Å; G123-E125 VanDerWaalsContact C-N 3.34Å
126L73.7Confident82.8Confident111 Ų11190.7 Ų90.758%0.58149%0.494SS*.EExtended strand (participates in β ladder)trans-91.5117.5169.5-70.1167.8000108.2
127A77.2Confident83.3Confident44 Ų4487.2 Ų87.236%0.36447%0.473SS..EExtended strand (participates in β ladder)trans-87.7131.6174.400000109.8Q118 V119Q118-A127 WeakPolarHBondContact CA-O 3.42Å; V119-A127 HydrophobicContact CG2-CB 4.19Å; V119-A127 WeakPolarHBondContact CG2-O 3Å; V119-A127 PolarHBondContact N-O 2.97Å; V119-A127 PolarHBondContact O-N 3.31Å
128E83.3Confident83.8Confident132 Ų13285 Ų8562%0.61746%0.464SS*.EExtended strand (participates in β ladder)trans-89.7124.7175.5-73.3-180174.700110.1V116 K117 Q118V116-E128 HydrophobicContact CG1-CB 4.04Å; V116-E128 HydrophobicContact CG1-CG 4.11Å; K117-E128 WeakPolarHBondContact O-CA 3.43Å; Q118-E128 HydrophobicContact CG-CG 3.73Å; Q118-E128 PolarHBondContact NE2-OE1 3.37Å
129T83.5Confident84.5Confident65 Ų6582.1 Ų82.140%0.39945%0.452SS..EExtended strand (participates in β ladder)trans-113.7128.8172.849.60000109.2K117 V119K117-T129 PolarHBondContact N-O 2.93Å; K117-T129 PolarHBondContact O-N 2.82Å; K117-T129 PolarHBondContact O-OG1 3.47Å; K117-T129 VanDerWaalsContact O-OG1 3.11Å; V119-T129 HydrophobicContact CG2-CG2 3.77Å
130E87.9Confident85.3Confident144 Ų14480 Ų8067%0.67344%0.438SS*.EExtended strand (participates in β ladder)trans-94.5124.9175.8-64.6-174.2168.300110I114 V116I114-E130 HydrophobicContact CG2-CB 3.79Å; I114-E130 HydrophobicContact CG2-CG 4.03Å; V116-E130 HydrophobicContact CG2-CG 4.33Å
131E89.5Confident86.4Confident94 Ų9474.5 Ų74.544%0.43940%0.402SS..EExtended strand (participates in β ladder)trans-109.9120.9173.2-173.9176.5169.500109.7E115 K117 I133E115-E131 PolarHBondContact N-O 2.73Å; E115-E131 PolarHBondContact O-N 3.44Å; K117-E131 IonicContact NZ-OE2 2.62Å; K117-E131 PolarHBondContact NZ-OE2 3.35Å; E131-I133 HydrophobicContact CG-CG1 4.39Å
132L91.2Very high87.5Confident99 Ų9973.3 Ų73.352%0.51839%0.389SS..EExtended strand (participates in β ladder)trans-82.7117.3175.4-18065.3000110.1E112 I114 T134E112-L132 HydrophobicContact CB-CD1 3.95Å; E112-L132 HydrophobicContact CG-CD1 4.24Å; I114-L132 HydrophobicContact CG1-CD1 4.1Å; L132-T134 HydrophobicContact CD2-CG2 4.35Å; L132-T134 HydrophobicContact CG-CG2 4.14Å
133I93Very high88.9Confident22 Ų2264.1 Ų64.111%0.11335%0.347CS..EExtended strand (participates in β ladder)trans-109.8121177-57.1179.5000108.4K95 L98 F99 Y113 E115 E131K95-I133 HydrophobicContact CD-CG2 4.25Å; K95-I133 HydrophobicContact CG-CG2 4.09Å; L98-I133 HydrophobicContact CD1-CD1 3.94Å; F99-I133 HydrophobicContact CZ-CG2 4.32Å; Y113-I133 HydrophobicContact CD1-CD1 4.38Å; Y113-I133 PolarHBondContact N-O 3.05Å; Y113-I133 PolarHBondContact O-N 2.9Å; E115-I133 HydrophobicContact CB-CD1 3.96Å; E131-I133 HydrophobicContact CG-CG1 4.39Å
134T94.7Very high89.9Confident54 Ų5461.1 Ų61.133%0.33131%0.314SS..EExtended strand (participates in β ladder)trans-110.2146.7178.666.50000111.9K95 A111 E112 L132K95-T134 WeakPolarHBondContact CE-O 3.49Å; K95-T134 PolarHBondContact NZ-O 2.8Å; A111-T134 CarbonylContact O-C 3.43Å; A111-T134 VanDerWaalsContact O-CA 3.26Å; A111-T134 WeakPolarHBondContact O-CA 3.41Å; E112-T134 HydrophobicContact CG-CG2 4.17Å; L132-T134 HydrophobicContact CD2-CG2 4.35Å; L132-T134 HydrophobicContact CG-CG2 4.14Å
135M95.5Very high90.9Very high6 Ų652.7 Ų52.73%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-144.4129.6174.9-169.8176.4-163.900110.7D92 K95 F99 A111 D139 R140 A143D92-M135 HydrophobicContact CB-CE 4.09Å; D92-M135 WeakPolarHBondContact O-CE 3.44Å; K95-M135 HydrophobicContact CG-SD 4.39Å; F99-M135 HydrophobicContact CD2-CB 4.17Å; F99-M135 HydrophobicContact CD2-SD 4.02Å; F99-M135 HydrophobicContact CE1-CB 4.32Å; F99-M135 HydrophobicContact CE2-CB 3.43Å; F99-M135 VanDerWaalsContact CE2-CB 3.43Å; F99-M135 HydrophobicContact CE2-CG 4.28Å; F99-M135 HydrophobicContact CE2-SD 3.93Å; F99-M135 HydrophobicContact CZ-CB 3.52Å; A111-M135 PolarHBondContact N-O 2.85Å; A111-M135 PolarHBondContact O-N 3.34Å; M135-D139 HydrophobicContact CE-CB 4.13Å; M135-R140 HydrophobicContact CE-CB 4.11Å; M135-R140 HydrophobicContact CG-CB 4.15Å; M135-R140 HydrophobicContact SD-CB 3.78Å; M135-R140 HydrophobicContact SD-CG 4.03Å; M135-A143 HydrophobicContact CE-CB 4.27Å
136K96.2Very high92.1Very high66 Ų6650.1 Ų50.129%0.28725%0.253SS..EExtended strand (participates in β ladder)trans-67140.9173.8-170.9-176-179.6-160.20110.4P107 H109 E138 D139 R140P107-K136 WeakPolarHBondContact O-CE 3.33Å; P107-K136 WeakPolarHBondContact O-CG 3.41Å; H109-K136 CarbonylContact O-C 3.43Å; H109-K136 WeakPolarHBondContact O-CA 3.42Å; K136-E138 VanDerWaalsContact C-N 3.31Å; K136-E138 HydrophobicContact CD-CB 4.3Å; K136-E138 HydrophobicContact CG-CB 4.4Å; K136-E138 IonicContact NZ-OE2 3.72Å; K136-E138 PolarHBondContact NZ-OE2 2.89Å; K136-E138 PolarHBondContact O-N 3.21Å; K136-D139 PolarHBondContact O-N 3.1Å; K136-R140 WeakPolarHBondContact O-CB 3.5Å; K136-R140 PolarHBondContact O-N 3.17Å
137E96.4Very high93.1Very high4 Ų446.3 Ų46.32%0.01923%0.231CC..Hα-helixtrans-62.1-37.7-176.6-170.6166.4128.700112.5Y57 L103 T104 G105 D106 H109 R140 L141Y57-E137 WeakPolarHBondContact CE2-OE1 3.34Å; Y57-E137 PolarHBondContact OH-OE1 3.49Å; L103-E137 HydrophobicContact CB-CG 4.3Å; L103-E137 HydrophobicContact CD2-CG 3.71Å; L103-E137 HydrophobicContact CG-CG 4.49Å; T104-E137 VanDerWaalsContact CB-OE2 3.32Å; T104-E137 WeakPolarHBondContact CB-OE2 3.24Å; T104-E137 VanDerWaalsContact N-CD 3.31Å; T104-E137 PolarHBondContact N-OE1 3.3Å; T104-E137 PolarHBondContact N-OE2 3.27Å; T104-E137 PolarHBondContact OG1-OE1 2.96Å; T104-E137 PolarHBondContact OG1-OE2 2.86Å; G105-E137 WeakPolarHBondContact CA-OE1 3.07Å; G105-E137 PolarHBondContact N-OE1 2.62Å; D106-E137 PolarHBondContact N-OE1 2.98Å; D106-E137 WeakPolarHBondContact O-CB 3.42Å; D106-E137 VanDerWaalsContact O-CD 3.32Å; H109-E137 HydrophobicContact CB-CB 4.27Å; H109-E137 IonicContact CD2-OE2 2.71Å; H109-E137 WeakPolarHBondContact O-CB 3.39Å; H109-E137 PolarHBondContact O-N 2.79Å; E137-R140 PolarHBondContact O-N 3.21Å; E137-L141 VanDerWaalsContact O-CB 3.3Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 PolarHBondContact O-N 3.09Å
138E96.5Very high94.1Very high33 Ų3344.2 Ų44.215%0.15421%0.214CC..Hα-helixtrans-59.7-45.1175.5-174.4171.2-13400112.7Y75 L85 P86 P107 K136 R140 L141 A142Y75-E138 HydrophobicContact CE1-CG 4.44Å; Y75-E138 VanDerWaalsContact CE1-OE1 3.27Å; Y75-E138 WeakPolarHBondContact CE1-OE1 3.21Å; Y75-E138 PolarHBondContact OH-OE1 2.91Å; L85-E138 HydrophobicContact CD2-CG 4.47Å; P86-E138 HydrophobicContact CG-CG 4.32Å; P107-E138 HydrophobicContact CB-CB 4.15Å; P107-E138 WeakPolarHBondContact O-CB 3.49Å; P107-E138 PolarHBondContact O-N 3.13Å; K136-E138 VanDerWaalsContact C-N 3.31Å; K136-E138 HydrophobicContact CD-CB 4.3Å; K136-E138 HydrophobicContact CG-CB 4.4Å; K136-E138 IonicContact NZ-OE2 3.72Å; K136-E138 PolarHBondContact NZ-OE2 2.89Å; K136-E138 PolarHBondContact O-N 3.21Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-L141 PolarHBondContact O-N 3.23Å; E138-A142 PolarHBondContact O-N 2.65Å
139D96.5Very high94.6Very high57 Ų5738.6 Ų38.631%0.30519%0.188SC..Hα-helixtrans-67.8-38.4177.2-62.6-41.8000110.8P86 M135 K136 A142 A143P86-D139 VanDerWaalsContact CG-OD1 3.32Å; P86-D139 WeakPolarHBondContact CG-OD1 3.44Å; M135-D139 HydrophobicContact CE-CB 4.13Å; K136-D139 PolarHBondContact O-N 3.1Å; D139-A142 PolarHBondContact O-N 2.85Å; D139-A143 WeakPolarHBondContact O-CB 3.33Å; D139-A143 PolarHBondContact O-N 2.78Å
140R96.1Very high95.1Very high15 Ų1537.9 Ų37.96%0.05718%0.18CC..Hα-helixtrans-65.1-43.2176.9-172.3178.1171.7-139.3-7.7111.5F99 M101 L103 M135 K136 E137 E138 A143 I144F99-R140 VanDerWaalsContact CB-CZ 3.48Å; F99-R140 VanDerWaalsContact CB-NE 3.26Å; F99-R140 PolarHBondContact O-NH2 3.44Å; M101-R140 PolarHBondContact O-NH1 3.43Å; M101-R140 PolarHBondContact O-NH2 2.68Å; L103-R140 HydrophobicContact CD2-CG 4.23Å; M135-R140 HydrophobicContact CE-CB 4.11Å; M135-R140 HydrophobicContact CG-CB 4.15Å; M135-R140 HydrophobicContact SD-CB 3.78Å; M135-R140 HydrophobicContact SD-CG 4.03Å; K136-R140 WeakPolarHBondContact O-CB 3.5Å; K136-R140 PolarHBondContact O-N 3.17Å; E137-R140 PolarHBondContact O-N 3.21Å; E138-R140 VanDerWaalsContact C-N 3.33Å; R140-A143 PolarHBondContact O-N 3.5Å; R140-I144 HydrophobicContact CG-CD1 4.09Å; R140-I144 VanDerWaalsContact O-CG1 3.31Å; R140-I144 WeakPolarHBondContact O-CG1 2.99Å; R140-I144 PolarHBondContact O-N 3.29Å
141L97.3Very high95.4Very high1 Ų134 Ų341%0.00516%0.162CC..Hα-helixtrans-59-47.6175.1174.162.9000110.4I50 Y57 I59 L85 L103 E137 E138 A143 I144 I145I50-L141 HydrophobicContact CB-CD1 3.95Å; I50-L141 HydrophobicContact CG1-CD1 3.76Å; I50-L141 HydrophobicContact CG2-CD1 4.04Å; Y57-L141 HydrophobicContact CD1-CD2 3.86Å; Y57-L141 HydrophobicContact CD2-CD1 4.17Å; Y57-L141 HydrophobicContact CD2-CD2 3.9Å; Y57-L141 HydrophobicContact CE1-CD2 4.22Å; Y57-L141 HydrophobicContact CE2-CD2 4.24Å; Y57-L141 HydrophobicContact CG-CD1 4.43Å; Y57-L141 HydrophobicContact CG-CD2 3.67Å; I59-L141 HydrophobicContact CD1-CD1 4.48Å; I59-L141 HydrophobicContact CD1-CD2 4.43Å; L85-L141 HydrophobicContact CD2-CD2 3.99Å; L85-L141 HydrophobicContact CD2-CG 4.23Å; L103-L141 HydrophobicContact CD1-CB 4.24Å; L103-L141 HydrophobicContact CD1-CD1 3.72Å; E137-L141 VanDerWaalsContact O-CB 3.3Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 PolarHBondContact O-N 3.09Å; E138-L141 PolarHBondContact O-N 3.23Å; L141-A143 VanDerWaalsContact C-N 3.35Å; L141-A143 PolarHBondContact O-N 2.86Å; L141-I144 PolarHBondContact O-N 3.32Å; L141-I145 HydrophobicContact CD1-CD1 3.84Å; L141-I145 HydrophobicContact CD1-CG1 4.33Å; L141-I145 HydrophobicContact CG-CD1 3.89Å; L141-I145 WeakPolarHBondContact O-CD1 3.21Å; L141-I145 WeakPolarHBondContact O-CG1 3.38Å; L141-I145 PolarHBondContact O-N 2.89Å
142A97.5Very high95.7Very high3 Ų329.7 Ų29.73%0.02514%0.142CC..Hα-helixtrans-59.7-43.9176.600000112.4L85 P86 E138 D139 I145 Y146L85-A142 HydrophobicContact CB-CB 4.34Å; L85-A142 HydrophobicContact CD2-CB 4.34Å; P86-A142 HydrophobicContact CG-CB 4.05Å; P86-A142 VanDerWaalsContact O-CB 3.25Å; P86-A142 WeakPolarHBondContact O-CB 3.37Å; E138-A142 PolarHBondContact O-N 2.65Å; D139-A142 PolarHBondContact O-N 2.85Å; A142-I145 PolarHBondContact O-N 2.79Å; A142-Y146 WeakPolarHBondContact O-CB 3.35Å; A142-Y146 PolarHBondContact O-N 2.92Å
143A97Very high96Very high0 Ų025.7 Ų25.70%012%0.121CC..Hα-helixtrans-63.6-40.9176.600000112.9P88 M135 D139 R140 L141 Y146 R147P88-A143 HydrophobicContact CB-CB 4.11Å; M135-A143 HydrophobicContact CE-CB 4.27Å; D139-A143 WeakPolarHBondContact O-CB 3.33Å; D139-A143 PolarHBondContact O-N 2.78Å; R140-A143 PolarHBondContact O-N 3.5Å; L141-A143 VanDerWaalsContact C-N 3.35Å; L141-A143 PolarHBondContact O-N 2.86Å; A143-Y146 PolarHBondContact O-N 3.45Å; A143-R147 WeakPolarHBondContact O-CG 3.05Å; A143-R147 PolarHBondContact O-N 2.86Å
144I96.7Very high96.2Very high5 Ų524.6 Ų24.63%0.02612%0.116CC..Hα-helixtrans-63-47.3175.6-72167000110.7L103 R140 L141 Y146 R147 I148L103-I144 HydrophobicContact CD2-CD1 4.25Å; R140-I144 HydrophobicContact CG-CD1 4.09Å; R140-I144 VanDerWaalsContact O-CG1 3.31Å; R140-I144 WeakPolarHBondContact O-CG1 2.99Å; R140-I144 PolarHBondContact O-N 3.29Å; L141-I144 PolarHBondContact O-N 3.32Å; I144-Y146 VanDerWaalsContact C-N 3.3Å; I144-Y146 PolarHBondContact O-N 3.45Å; I144-R147 PolarHBondContact O-N 3.27Å; I144-I148 HydrophobicContact CG2-CD1 3.74Å; I144-I148 HydrophobicContact CG2-CG1 4.48Å; I144-I148 WeakPolarHBondContact O-CG1 3.48Å; I144-I148 PolarHBondContact O-N 3.31Å
145I97Very high96.3Very high0 Ų022.6 Ų22.60%010%0.103CC..Hα-helixtrans-59.6-44.1178.4-69.5161.5000110.4W47 I50 I59 L85 L141 A142 R147 I148 E149W47-I145 HydrophobicContact CH2-CG1 4.18Å; W47-I145 HydrophobicContact CH2-CG2 4.48Å; W47-I145 HydrophobicContact CZ2-CB 4.46Å; W47-I145 HydrophobicContact CZ2-CG2 3.98Å; W47-I145 HydrophobicContact CZ3-CG1 4.35Å; I50-I145 HydrophobicContact CG1-CG1 4.43Å; I59-I145 HydrophobicContact CD1-CD1 3.61Å; I59-I145 HydrophobicContact CG1-CD1 3.8Å; I59-I145 HydrophobicContact CG1-CG1 4.47Å; I59-I145 HydrophobicContact CG2-CD1 3.95Å; L85-I145 HydrophobicContact CD1-CD1 3.39Å; L141-I145 HydrophobicContact CD1-CD1 3.84Å; L141-I145 HydrophobicContact CD1-CG1 4.33Å; L141-I145 HydrophobicContact CG-CD1 3.89Å; L141-I145 WeakPolarHBondContact O-CD1 3.21Å; L141-I145 WeakPolarHBondContact O-CG1 3.38Å; L141-I145 PolarHBondContact O-N 2.89Å; A142-I145 PolarHBondContact O-N 2.79Å; I145-R147 VanDerWaalsContact C-N 3.34Å; I145-R147 PolarHBondContact O-N 3.28Å; I145-I148 PolarHBondContact O-N 2.72Å; I145-E149 VanDerWaalsContact O-CB 3.28Å; I145-E149 WeakPolarHBondContact O-CB 3.45Å; I145-E149 PolarHBondContact O-N 3.38Å
146Y96.4Very high96.4Very high97 Ų9722.3 Ų22.338%0.3810%0.102SC..Hα-helixtrans-59.1-44.3176.6-178.2-89.8000112.2P88 I93 A142 A143 I144 E149 E150P88-Y146 HydrophobicContact CG-CD2 4.41Å; P88-Y146 HydrophobicContact CG-CG 4.1Å; I93-Y146 HydrophobicContact CD1-CD1 3.34Å; I93-Y146 HydrophobicContact CD1-CE1 3.38Å; I93-Y146 HydrophobicContact CD1-CG 4.08Å; I93-Y146 HydrophobicContact CG1-CD1 3.91Å; I93-Y146 HydrophobicContact CG1-CE1 4.39Å; A142-Y146 WeakPolarHBondContact O-CB 3.35Å; A142-Y146 PolarHBondContact O-N 2.92Å; A143-Y146 PolarHBondContact O-N 3.45Å; I144-Y146 VanDerWaalsContact C-N 3.3Å; I144-Y146 PolarHBondContact O-N 3.45Å; Y146-E149 PolarHBondContact O-N 3.41Å; Y146-E150 WeakPolarHBondContact O-CB 3.35Å; Y146-E150 PolarHBondContact O-N 3.04Å
147R96Very high96.4Very high31 Ų3123.1 Ų23.112%0.11710%0.103CC..Hα-helixtrans-63.1-47.2177.8-72171.257.9-157.6-6.4112.2I93 A143 I144 I145 E149 E150 E151 W245I93-R147 HydrophobicContact CG2-CG 3.85Å; A143-R147 WeakPolarHBondContact O-CG 3.05Å; A143-R147 PolarHBondContact O-N 2.86Å; I144-R147 PolarHBondContact O-N 3.27Å; I145-R147 VanDerWaalsContact C-N 3.34Å; I145-R147 PolarHBondContact O-N 3.28Å; R147-E149 VanDerWaalsContact C-N 3.28Å; R147-E149 PolarHBondContact O-N 3.42Å; R147-E150 PolarHBondContact O-N 2.83Å; R147-E151 WeakPolarHBondContact O-CB 3.5Å; R147-E151 WeakPolarHBondContact O-CG 3.4Å; R147-E151 PolarHBondContact O-N 2.65Å; R147-W245 HydrophobicContact CB-CH2 3.99Å; R147-W245 HydrophobicContact CB-CZ2 3.92Å
148I97.1Very high96.3Very high0 Ų023.4 Ų23.40%011%0.107CC..Hα-helixtrans-60.4-42.9176.5-67.2167.4000109.9W47 I50 I144 I145 E151 V152 W245 Y263W47-I148 HydrophobicContact CH2-CB 4.08Å; W47-I148 HydrophobicContact CH2-CD1 3.78Å; W47-I148 HydrophobicContact CH2-CG2 3.77Å; W47-I148 HydrophobicContact CZ2-CB 3.79Å; W47-I148 HydrophobicContact CZ2-CD1 4.38Å; W47-I148 HydrophobicContact CZ2-CG2 3.46Å; W47-I148 VanDerWaalsContact CZ2-CG2 3.46Å; I50-I148 HydrophobicContact CD1-CD1 4.21Å; I144-I148 HydrophobicContact CG2-CD1 3.74Å; I144-I148 HydrophobicContact CG2-CG1 4.48Å; I144-I148 WeakPolarHBondContact O-CG1 3.48Å; I144-I148 PolarHBondContact O-N 3.31Å; I145-I148 PolarHBondContact O-N 2.72Å; I148-E151 PolarHBondContact O-N 2.98Å; I148-V152 HydrophobicContact CB-CG2 4.46Å; I148-V152 HydrophobicContact CG2-CG2 3.5Å; I148-V152 WeakPolarHBondContact O-CG2 3.5Å; I148-V152 PolarHBondContact O-N 2.86Å; I148-W245 HydrophobicContact CD1-CE3 3.83Å; I148-W245 HydrophobicContact CD1-CZ3 3.8Å; I148-W245 HydrophobicContact CG1-CD2 3.65Å; I148-W245 HydrophobicContact CG1-CE3 3.3Å; I148-W245 HydrophobicContact CG1-CG 4.42Å; I148-W245 HydrophobicContact CG1-CH2 3.74Å; I148-W245 HydrophobicContact CG1-CZ2 4.1Å; I148-W245 HydrophobicContact CG1-CZ3 3.33Å; I148-Y263 HydrophobicContact CD1-CD1 4.21Å; I148-Y263 HydrophobicContact CD1-CD2 4.34Å; I148-Y263 HydrophobicContact CD1-CE1 3.94Å; I148-Y263 HydrophobicContact CD1-CE2 4.1Å; I148-Y263 HydrophobicContact CD1-CG 4.4Å; I148-Y263 HydrophobicContact CG2-CD2 4.02Å; I148-Y263 HydrophobicContact CG2-CG 4.28Å
149E95.1Very high96.3Very high15 Ų1521.9 Ų21.97%0.0710%0.1CC..Hα-helixtrans-62.5-45.8179.5-177.6166.7-167.500112.7Q61 K71 I145 Y146 R147 E151 V153Q61-E149 VanDerWaalsContact NE2-CD 3.27Å; Q61-E149 PolarHBondContact NE2-OE1 3.41Å; Q61-E149 PolarHBondContact NE2-OE2 3.19Å; K71-E149 WeakPolarHBondContact CD-OE1 3.45Å; K71-E149 WeakPolarHBondContact CE-OE1 3.47Å; K71-E149 IonicContact NZ-OE1 2.89Å; K71-E149 PolarHBondContact NZ-OE1 2.98Å; I145-E149 VanDerWaalsContact O-CB 3.28Å; I145-E149 WeakPolarHBondContact O-CB 3.45Å; I145-E149 PolarHBondContact O-N 3.38Å; Y146-E149 PolarHBondContact O-N 3.41Å; R147-E149 VanDerWaalsContact C-N 3.28Å; R147-E149 PolarHBondContact O-N 3.42Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 2.98Å; E149-V153 HydrophobicContact CB-CG2 4.24Å; E149-V153 HydrophobicContact CG-CB 4.34Å; E149-V153 HydrophobicContact CG-CG2 4.15Å; E149-V153 WeakPolarHBondContact O-CB 3.25Å; E149-V153 PolarHBondContact O-N 3.42Å
150E94.3Very high96.3Very high49 Ų4919.9 Ų19.923%0.2299%0.089CC..Hα-helixtrans-67.4-32.2178.5-170.165.5-162.400112Y146 R147 R192Y146-E150 WeakPolarHBondContact O-CB 3.35Å; Y146-E150 PolarHBondContact O-N 3.04Å; R147-E150 PolarHBondContact O-N 2.83Å; E150-R192 WeakPolarHBondContact O-CD 3.5Å; E150-R192 VanDerWaalsContact O-CZ 3.25Å; E150-R192 PolarHBondContact O-NE 2.94Å; E150-R192 WeakPolarHBondContact OE1-CD 3.39Å; E150-R192 IonicContact OE1-CZ 2.69Å; E150-R192 IonicContact OE1-NE 3.73Å; E150-R192 IonicContact OE1-NH1 3.92Å; E150-R192 PolarHBondContact OE1-NH1 3.43Å
151E94.6Very high96.3Very high64 Ų6421.7 Ų21.730%0.29910%0.1SC..Hα-helixtrans-96.1-29.8-173.2-70-177.1-144.100115.1R147 I148 E149 H190 W245 Y269R147-E151 WeakPolarHBondContact O-CB 3.5Å; R147-E151 WeakPolarHBondContact O-CG 3.4Å; R147-E151 PolarHBondContact O-N 2.65Å; I148-E151 PolarHBondContact O-N 2.98Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 2.98Å; E151-H190 PolarHBondContact O-CE1 3.01Å; E151-W245 PolarHBondContact OE2-NE1 3.07Å; E151-Y269 VanDerWaalsContact OE2-CE2 3.29Å; E151-Y269 WeakPolarHBondContact OE2-CE2 3.47Å
152V95.2Very high96.2Very high2 Ų227.4 Ų27.41%0.01212%0.121CC..Hα-helixtrans-134.8-10.3-170.8-63.60000116I148 I154 W227 S242 W245 Y248I148-V152 HydrophobicContact CB-CG2 4.46Å; I148-V152 HydrophobicContact CG2-CG2 3.5Å; I148-V152 WeakPolarHBondContact O-CG2 3.5Å; I148-V152 PolarHBondContact O-N 2.86Å; V152-I154 WeakPolarHBondContact O-CG2 3.49Å; V152-I154 PolarHBondContact O-N 3.33Å; V152-W227 HydrophobicContact CB-CH2 3.72Å; V152-W227 HydrophobicContact CB-CZ2 4.32Å; V152-W227 HydrophobicContact CG1-CH2 3.81Å; V152-W227 HydrophobicContact CG1-CZ2 4.05Å; V152-S242 WeakPolarHBondContact CG1-OG 3.3Å; V152-W245 HydrophobicContact CG1-CB 4.02Å; V152-W245 HydrophobicContact CG1-CG 3.96Å; V152-W245 HydrophobicContact CG2-CB 4.11Å; V152-W245 HydrophobicContact CG2-CG 4.23Å; V152-Y248 HydrophobicContact CB-CD1 4.1Å; V152-Y248 HydrophobicContact CB-CD2 4.16Å; V152-Y248 HydrophobicContact CB-CE1 4.47Å; V152-Y248 HydrophobicContact CB-CE2 4.5Å; V152-Y248 HydrophobicContact CB-CG 3.94Å; V152-Y248 HydrophobicContact CG2-CD1 4.35Å; V152-Y248 HydrophobicContact CG2-CD2 3.57Å; V152-Y248 HydrophobicContact CG2-CE2 4.14Å; V152-Y248 HydrophobicContact CG2-CG 3.68Å; V152-Y248 WeakPolarHBondContact O-CE1 3.32Å; V152-Y248 WeakPolarHBondContact O-CE2 3.38Å; V152-Y248 PolarHBondContact O-OH 2.88Å; V152-Y248 VanDerWaalsContact O-OH 3.1Å
153V96.2Very high96Very high15 Ų1531.2 Ų31.29%0.09114%0.139CC..  trans-70.9103178.2175.40000109.4E149 C191 Y248E149-V153 HydrophobicContact CB-CG2 4.24Å; E149-V153 HydrophobicContact CG-CB 4.34Å; E149-V153 HydrophobicContact CG-CG2 4.15Å; E149-V153 WeakPolarHBondContact O-CB 3.25Å; E149-V153 PolarHBondContact O-N 3.42Å; V153-C191 HydrophobicContact CG1-CB 4.04Å; V153-C191 WeakPolarHBondContact O-CB 3.45Å; V153-C191 PolarHBondContact O-N 3.44Å; V153-Y248 HydrophobicContact CG2-CE2 4.13Å
154I97.5Very high95.7Very high0 Ų041.8 Ų41.80%018%0.181CC..EExtended strand (participates in β ladder)trans-114.4165.1-175.656.1159.5000111.8V152 F189 I218 W227 V240 Y248 L250V152-I154 WeakPolarHBondContact O-CG2 3.49Å; V152-I154 PolarHBondContact O-N 3.33Å; I154-F189 CarbonylContact C-O 3.51Å; I154-F189 WeakPolarHBondContact CA-O 3.23Å; I154-F189 WeakPolarHBondContact CB-O 3.5Å; I154-I218 HydrophobicContact CB-CG2 4.35Å; I154-I218 HydrophobicContact CD1-CD1 4.3Å; I154-I218 HydrophobicContact CG2-CG2 3.42Å; I154-I218 VanDerWaalsContact CG2-CG2 3.42Å; I154-W227 HydrophobicContact CD1-CE3 4.47Å; I154-W227 HydrophobicContact CD1-CH2 4.17Å; I154-W227 HydrophobicContact CD1-CZ3 3.91Å; I154-W227 HydrophobicContact CG1-CH2 4.34Å; I154-W227 HydrophobicContact CG1-CZ3 4.46Å; I154-W227 HydrophobicContact CG2-CH2 4.07Å; I154-W227 HydrophobicContact CG2-CZ2 4.26Å; I154-V240 HydrophobicContact CD1-CB 4.06Å; I154-V240 HydrophobicContact CD1-CG1 3.67Å; I154-Y248 HydrophobicContact CD1-CE1 4.32Å; I154-Y248 HydrophobicContact CG1-CE1 3.79Å; I154-Y248 WeakPolarHBondContact CG1-OH 3.11Å; I154-Y248 PolarHBondContact N-OH 3.2Å; I154-L250 HydrophobicContact CD1-CB 4.19Å; I154-L250 HydrophobicContact CD1-CD1 4.17Å; I154-L250 HydrophobicContact CG1-CB 4.23Å; I154-L250 HydrophobicContact CG1-CD1 3.86Å; I154-L250 WeakPolarHBondContact O-CD1 3.46Å
155V97Very high95.5Very high11 Ų1145.8 Ų45.87%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-143.9156.5175.4-70.80000112.2A159 F160 Y188 F189 C191 L215 Y259V155-A159 HydrophobicContact CB-CB 4.27Å; V155-F160 HydrophobicContact CB-CD2 4.44Å; V155-F160 HydrophobicContact CB-CE2 4.22Å; V155-F160 HydrophobicContact CG1-CD2 4.27Å; V155-F160 HydrophobicContact CG1-CE2 3.58Å; V155-F160 HydrophobicContact CG1-CZ 4.43Å; V155-F160 HydrophobicContact CG2-CD2 3.83Å; V155-F160 HydrophobicContact CG2-CE2 4.01Å; V155-Y188 WeakPolarHBondContact O-CA 3.24Å; V155-F189 PolarHBondContact N-O 3.25Å; V155-F189 PolarHBondContact O-N 2.87Å; V155-C191 HydrophobicContact CG1-CB 4.36Å; V155-C191 HydrophobicContact CG2-CB 4.47Å; V155-L215 HydrophobicContact CG2-CD1 4.47Å; V155-Y259 HydrophobicContact CB-CE2 4.33Å; V155-Y259 HydrophobicContact CG1-CE2 3.87Å
156P97.6Very high95.2Very high1 Ų146.8 Ų46.81%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-62.1147.8172.1-21.734.6000112.6G158 A159 F174 L177 S187 Y188 H252 Y259P156-G158 PolarHBondContact O-N 2.88Å; P156-A159 HydrophobicContact CB-CB 4.48Å; P156-A159 WeakPolarHBondContact O-CB 3.39Å; P156-A159 PolarHBondContact O-N 2.65Å; P156-A159 VanDerWaalsContact O-N 3.08Å; P156-F174 HydrophobicContact CB-CE1 4.39Å; P156-F174 HydrophobicContact CB-CE2 4.39Å; P156-F174 HydrophobicContact CB-CZ 3.68Å; P156-F174 HydrophobicContact CG-CZ 4.31Å; P156-L177 HydrophobicContact CB-CD1 3.82Å; P156-L177 HydrophobicContact CB-CG 4Å; P156-S187 CarbonylContact C-O 3.52Å; P156-Y188 HydrophobicContact CG-CE1 4.48Å; P156-H252 HydrophobicContact CG-CB 4.44Å; P156-Y259 HydrophobicContact CG-CD1 4.25Å; P156-Y259 HydrophobicContact CG-CD2 4.11Å; P156-Y259 HydrophobicContact CG-CG 3.81Å
157R96.4Very high95Very high82 Ų8244.5 Ų44.531%0.30921%0.205SC..THydrogen-bonded Turntrans-53.8129.1174.1-170.2174.9175-90.4-6.1110.9A159 F174 L177 S187 F189 I212 D213R157-A159 VanDerWaalsContact C-N 3.27Å; R157-A159 PolarHBondContact O-N 2.91Å; R157-F174 VanDerWaalsContact O-CE2 3.25Å; R157-F174 WeakPolarHBondContact O-CE2 2.84Å; R157-L177 HydrophobicContact CB-CD2 4.09Å; R157-S187 WeakPolarHBondContact CB-O 3.19Å; R157-S187 PolarHBondContact N-O 2.74Å; R157-F189 HydrophobicContact CB-CD2 3.91Å; R157-F189 HydrophobicContact CB-CE2 3.53Å; R157-F189 HydrophobicContact CG-CD2 4.19Å; R157-F189 HydrophobicContact CG-CE2 3.47Å; R157-F189 VanDerWaalsContact CG-CE2 3.47Å; R157-F189 HydrophobicContact CG-CZ 4.16Å; R157-I212 HydrophobicContact CG-CG2 4.01Å; R157-D213 IonicContact CZ-OD1 3.24Å; R157-D213 VanDerWaalsContact CZ-OD1 3.24Å; R157-D213 IonicContact CZ-OD2 3.8Å; R157-D213 IonicContact NE-OD1 3.87Å; R157-D213 PolarHBondContact NE-OD1 3.42Å; R157-D213 IonicContact NE-OD2 2.8Å; R157-D213 VanDerWaalsContact NH2-CG 3.3Å; R157-D213 IonicContact NH2-OD1 3.01Å; R157-D213 PolarHBondContact NH2-OD1 3.19Å; R157-D213 IonicContact NH2-OD2 2.82Å; R157-D213 PolarHBondContact NH2-OD2 2.83Å
158G95.5Very high95Very high10 Ų1043.2 Ų43.210%0.10320%0.201CC..THydrogen-bonded Turntrans80.9-0.2178.800000115.1P156 F160 N171P156-G158 PolarHBondContact O-N 2.88Å; G158-F160 VanDerWaalsContact C-N 3.26Å; G158-F160 PolarHBondContact O-N 3.14Å; G158-N171 WeakPolarHBondContact O-CB 3.28Å; G158-N171 PolarHBondContact O-ND2 3.45Å
159A96.1Very high94.9Very high1 Ų144.4 Ų44.41%0.00821%0.208CC..SBendtrans-63.8-3217300000112.8V155 P156 R157 N171 F174 Y259V155-A159 HydrophobicContact CB-CB 4.27Å; P156-A159 HydrophobicContact CB-CB 4.48Å; P156-A159 WeakPolarHBondContact O-CB 3.39Å; P156-A159 PolarHBondContact O-N 2.65Å; P156-A159 VanDerWaalsContact O-N 3.08Å; R157-A159 VanDerWaalsContact C-N 3.27Å; R157-A159 PolarHBondContact O-N 2.91Å; A159-N171 WeakPolarHBondContact O-CB 3.17Å; A159-N171 PolarHBondContact O-N 3.14Å; A159-F174 HydrophobicContact CB-CD1 4.39Å; A159-F174 HydrophobicContact CB-CE1 4.36Å; A159-Y259 HydrophobicContact CB-CE1 3.81Å; A159-Y259 HydrophobicContact CB-CE2 4.27Å
160F95.7Very high94.8Very high16 Ų1646.9 Ų46.97%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-117.4154.6171.3-65-60.9000111.1V67 V155 G158 V168 V169 C191 F214V67-F160 HydrophobicContact CB-CD1 4.42Å; V67-F160 HydrophobicContact CB-CE1 4.22Å; V67-F160 HydrophobicContact CG1-CD1 4.21Å; V67-F160 HydrophobicContact CG1-CD2 4.47Å; V67-F160 HydrophobicContact CG1-CE1 3.74Å; V67-F160 HydrophobicContact CG1-CE2 3.97Å; V67-F160 HydrophobicContact CG1-CZ 3.62Å; V67-F160 HydrophobicContact CG2-CD1 3.98Å; V67-F160 HydrophobicContact CG2-CE1 3.68Å; V67-F160 HydrophobicContact CG2-CZ 4.4Å; V155-F160 HydrophobicContact CB-CD2 4.44Å; V155-F160 HydrophobicContact CB-CE2 4.22Å; V155-F160 HydrophobicContact CG1-CD2 4.27Å; V155-F160 HydrophobicContact CG1-CE2 3.58Å; V155-F160 HydrophobicContact CG1-CZ 4.43Å; V155-F160 HydrophobicContact CG2-CD2 3.83Å; V155-F160 HydrophobicContact CG2-CE2 4.01Å; G158-F160 VanDerWaalsContact C-N 3.26Å; G158-F160 PolarHBondContact O-N 3.14Å; F160-V168 HydrophobicContact CB-CG1 3.87Å; F160-V168 HydrophobicContact CG-CG1 4.28Å; F160-V169 WeakPolarHBondContact CA-O 3.28Å; F160-V169 WeakPolarHBondContact CD1-O 3.35Å; F160-C191 VanDerWaalsContact CE2-SG 3.58Å; F160-F214 HydrophobicContact CB-CZ 4.13Å
161I95.5Very high94.9Very high53 Ų5346 Ų4627%0.27222%0.224SC..EExtended strand (participates in β ladder)trans-129137.3173.7-167.5171.4000110.1V169 N171 A211I161-V169 HydrophobicContact CG2-CG2 3.69Å; I161-V169 PolarHBondContact N-O 3.03Å; I161-V169 PolarHBondContact O-N 3.21Å; I161-N171 HydrophobicContact CB-CB 4.33Å; I161-N171 HydrophobicContact CG2-CB 4.33Å; I161-A211 CarbonylContact C-O 3.03Å; I161-A211 WeakPolarHBondContact CA-O 3.48Å; I161-A211 HydrophobicContact CD1-CB 4.08Å; I161-A211 HydrophobicContact CG1-CB 3.81Å; I161-A211 WeakPolarHBondContact CG1-O 3.33Å
162R95.2Very high94.8Very high121 Ų12152.7 Ų52.746%0.45725%0.252SS..EExtended strand (participates in β ladder)trans-87.3116.2171.3-173.8177.5-178.8-177.10.2109.7V168 A211 F214R162-V168 HydrophobicContact CG-CG2 4.48Å; R162-A211 PolarHBondContact N-O 2.95Å; R162-F214 HydrophobicContact CB-CB 4.44Å; R162-F214 HydrophobicContact CB-CD1 3.77Å; R162-F214 HydrophobicContact CB-CD2 4.21Å; R162-F214 HydrophobicContact CB-CE1 4.05Å; R162-F214 HydrophobicContact CB-CE2 4.44Å; R162-F214 HydrophobicContact CB-CG 3.87Å; R162-F214 HydrophobicContact CB-CZ 4.38Å
163M93.5Very high94.7Very high83 Ų8357.3 Ų57.341%0.40928%0.284SS..  trans-73.3164.2175.5-67-147.5-177.700112N165 G166 Q167 V169M163-N165 VanDerWaalsContact CB-OD1 3.25Å; M163-N165 WeakPolarHBondContact CB-OD1 3.31Å; M163-N165 PolarHBondContact O-N 3.12Å; M163-G166 WeakPolarHBondContact O-CA 3.43Å; M163-G166 PolarHBondContact O-N 3.48Å; M163-Q167 PolarHBondContact N-O 3.36Å; M163-V169 HydrophobicContact CE-CB 4.37Å; M163-V169 HydrophobicContact CE-CG1 4.1Å; M163-V169 HydrophobicContact CE-CG2 3.44Å; M163-V169 VanDerWaalsContact CE-CG2 3.44Å; M163-V169 HydrophobicContact CG-CG2 4.15Å
164Y91Very high94.7Very high221 Ų22157.5 Ų57.587%0.86728%0.284SS*.THydrogen-bonded Turntrans-59.2-29.7179.166.9-90.3000113.6G166Y164-G166 PolarHBondContact O-N 2.65Å
165N91.9Very high94.6Very high90 Ų9065.2 Ų65.248%0.48132%0.32SS..THydrogen-bonded Turntrans-78.90.6175.968.6-7.9000112.8M163 Q167M163-N165 VanDerWaalsContact CB-OD1 3.25Å; M163-N165 WeakPolarHBondContact CB-OD1 3.31Å; M163-N165 PolarHBondContact O-N 3.12Å; N165-Q167 VanDerWaalsContact C-N 3.32Å; N165-Q167 WeakPolarHBondContact OD1-CB 3.33Å; N165-Q167 PolarHBondContact OD1-N 3.38Å
166G90.9Very high94.5Very high20 Ų2065.6 Ų65.621%0.20633%0.326CS..SBendtrans84.4-2.4-178.700000115.1M163 Y164M163-G166 WeakPolarHBondContact O-CA 3.43Å; M163-G166 PolarHBondContact O-N 3.48Å; Y164-G166 PolarHBondContact O-N 2.65Å
167Q93.8Very high94.5Very high49 Ų4965.9 Ų65.923%0.22933%0.328CS..  trans-71.2138.9175.9-171.7-176.9-19.400110.5K65 D66 M163 N165 V169K65-Q167 VanDerWaalsContact C-NE2 3.33Å; K65-Q167 PolarHBondContact O-NE2 3.22Å; D66-Q167 HydrophobicContact CB-CG 3.98Å; M163-Q167 PolarHBondContact N-O 3.36Å; N165-Q167 VanDerWaalsContact C-N 3.32Å; N165-Q167 WeakPolarHBondContact OD1-CB 3.33Å; N165-Q167 PolarHBondContact OD1-N 3.38Å; Q167-V169 HydrophobicContact CG-CG1 4.03Å
168V95.5Very high94.5Very high5 Ų564.5 Ų64.53%0.0333%0.334CS..EExtended strand (participates in β ladder)trans-102123.9175.4-178.80000109.8V67 L68 F160 R162 F214V67-V168 HydrophobicContact CB-CG1 4.37Å; V67-V168 PolarHBondContact N-O 3.34Å; L68-V168 HydrophobicContact CD1-CB 4.32Å; L68-V168 HydrophobicContact CD1-CG1 4.48Å; L68-V168 HydrophobicContact CD1-CG2 3.8Å; L68-V168 HydrophobicContact CG-CB 4.1Å; L68-V168 HydrophobicContact CG-CG1 4.19Å; L68-V168 HydrophobicContact CG-CG2 4.12Å; F160-V168 HydrophobicContact CB-CG1 3.87Å; F160-V168 HydrophobicContact CG-CG1 4.28Å; R162-V168 HydrophobicContact CG-CG2 4.48Å; V168-F214 HydrophobicContact CB-CE2 4.43Å; V168-F214 HydrophobicContact CB-CZ 4.44Å; V168-F214 HydrophobicContact CG1-CE2 3.9Å; V168-F214 HydrophobicContact CG1-CZ 3.55Å; V168-F214 HydrophobicContact CG2-CD2 4.42Å; V168-F214 HydrophobicContact CG2-CE2 3.6Å; V168-F214 HydrophobicContact CG2-CZ 4.01Å
169V94.8Very high94.4Very high24 Ų2467.6 Ų67.615%0.14535%0.353CS..EExtended strand (participates in β ladder)trans-130.5158.4-178.3-57.20000111.5F160 I161 M163 Q167 N171F160-V169 WeakPolarHBondContact CA-O 3.28Å; F160-V169 WeakPolarHBondContact CD1-O 3.35Å; I161-V169 HydrophobicContact CG2-CG2 3.69Å; I161-V169 PolarHBondContact N-O 3.03Å; I161-V169 PolarHBondContact O-N 3.21Å; M163-V169 HydrophobicContact CE-CB 4.37Å; M163-V169 HydrophobicContact CE-CG1 4.1Å; M163-V169 HydrophobicContact CE-CG2 3.44Å; M163-V169 VanDerWaalsContact CE-CG2 3.44Å; M163-V169 HydrophobicContact CG-CG2 4.15Å; Q167-V169 HydrophobicContact CG-CG1 4.03Å; V169-N171 PolarHBondContact O-N 3Å
170S93.4Very high94.3Very high68 Ų6872.4 Ų72.448%0.47638%0.382SS..EExtended strand (participates in β ladder)trans-60.1129.8170.9-176.60000111K172S170-K172 PolarHBondContact O-N 2.73Å
171N94.9Very high94.3Very high31 Ų3175.8 Ų75.817%0.16640%0.398CS..  trans-80.2106.5178.8-179.110000110G158 A159 I161 V169 S173 F174G158-N171 WeakPolarHBondContact O-CB 3.28Å; G158-N171 PolarHBondContact O-ND2 3.45Å; A159-N171 WeakPolarHBondContact O-CB 3.17Å; A159-N171 PolarHBondContact O-N 3.14Å; I161-N171 HydrophobicContact CB-CB 4.33Å; I161-N171 HydrophobicContact CG2-CB 4.33Å; V169-N171 PolarHBondContact O-N 3Å; N171-S173 PolarHBondContact O-N 2.84Å; N171-S173 PolarHBondContact OD1-N 2.73Å; N171-F174 HydrophobicContact CB-CB 4.22Å; N171-F174 VanDerWaalsContact O-CB 3.31Å; N171-F174 WeakPolarHBondContact O-CB 2.99Å; N171-F174 PolarHBondContact O-N 2.98Å; N171-F174 VanDerWaalsContact O-N 3.14Å
172K92.5Very high94.4Very high203 Ų20373.2 Ų73.288%0.88339%0.385SS*.THydrogen-bonded Turntrans-66.5-18.3179-62.9-175.5-179.4-179.20113.8S170S170-K172 PolarHBondContact O-N 2.73Å
173S94.2Very high94.4Very high100 Ų10070.2 Ų70.270%0.69938%0.382SS*.THydrogen-bonded Turntrans-94.57.4177.8-52.70000112.7N171 E175N171-S173 PolarHBondContact O-N 2.84Å; N171-S173 PolarHBondContact OD1-N 2.73Å; S173-E175 PolarHBondContact O-N 3.37Å
174F95.3Very high94.5Very high19 Ų1970.8 Ų70.88%0.08338%0.382CS..  trans-71.3114.2175.7179.3-116.7000110P156 R157 A159 N171 N257 Y259P156-F174 HydrophobicContact CB-CE1 4.39Å; P156-F174 HydrophobicContact CB-CE2 4.39Å; P156-F174 HydrophobicContact CB-CZ 3.68Å; P156-F174 HydrophobicContact CG-CZ 4.31Å; R157-F174 VanDerWaalsContact O-CE2 3.25Å; R157-F174 WeakPolarHBondContact O-CE2 2.84Å; A159-F174 HydrophobicContact CB-CD1 4.39Å; A159-F174 HydrophobicContact CB-CE1 4.36Å; N171-F174 HydrophobicContact CB-CB 4.22Å; N171-F174 VanDerWaalsContact O-CB 3.31Å; N171-F174 WeakPolarHBondContact O-CB 2.99Å; N171-F174 PolarHBondContact O-N 2.98Å; N171-F174 VanDerWaalsContact O-N 3.14Å; F174-N257 HydrophobicContact CD1-CB 4.29Å; F174-N257 WeakPolarHBondContact O-CB 3.47Å; F174-Y259 HydrophobicContact CD1-CD1 4.34Å; F174-Y259 HydrophobicContact CD1-CE1 4.11Å; F174-Y259 AromaticContact CE1-CD1 3.81Å; F174-Y259 HydrophobicContact CE1-CD1 3.81Å; F174-Y259 AromaticContact CE1-CE1 3.98Å; F174-Y259 HydrophobicContact CE1-CE1 3.98Å
175E95.5Very high94.8Very high162 Ų16262.8 Ų62.876%0.75735%0.354SS*.  trans-95.2-3.1179.6-65.5-177170.400113S173 G255 T256S173-E175 PolarHBondContact O-N 3.37Å; E175-G255 CarbonylContact O-C 3.57Å; E175-T256 CarbonylContact O-C 3.57Å; E175-T256 WeakPolarHBondContact O-CA 3.41Å; E175-T256 PolarHBondContact O-N 2.83Å
176G96.2Very high95Very high19 Ų1961.9 Ų61.920%0.19635%0.349CS..  trans102.7161.6-172.300000113.1T256G176-T256 WeakPolarHBondContact CA-O 3.37Å; G176-T256 PolarHBondContact N-O 3.22Å
177L96.9Very high95.3Very high7 Ų761.1 Ų61.14%0.03734%0.341CS..  trans-78145.2171.7-60.5175.9000109.9P156 R157 E181 A182 Y188 H252 P254 G255P156-L177 HydrophobicContact CB-CD1 3.82Å; P156-L177 HydrophobicContact CB-CG 4Å; R157-L177 HydrophobicContact CB-CD2 4.09Å; L177-E181 HydrophobicContact CB-CB 4.29Å; L177-A182 HydrophobicContact CB-CB 4.06Å; L177-A182 HydrophobicContact CD1-CB 4.36Å; L177-Y188 HydrophobicContact CD1-CE1 4.23Å; L177-H252 WeakPolarHBondContact CB-NE2 3.14Å; L177-H252 PolarHBondContact N-NE2 2.8Å; L177-P254 CarbonylContact O-C 3.59Å; L177-P254 VanDerWaalsContact O-CA 3.3Å; L177-P254 WeakPolarHBondContact O-CA 3.32Å; L177-P254 WeakPolarHBondContact O-CB 3.48Å; L177-G255 PolarHBondContact O-N 2.65Å
178A95.6Very high95.5Very high52 Ų5258.8 Ų58.843%0.4333%0.33SS..  trans-66.2154.7166.400000110.2V180 E181 A182A178-V180 PolarHBondContact O-N 3.02Å; A178-V180 VanDerWaalsContact O-N 3.12Å; A178-E181 HydrophobicContact CB-CG 4.28Å; A178-E181 PolarHBondContact N-OE2 2.97Å; A178-E181 WeakPolarHBondContact O-CB 3.49Å; A178-E181 PolarHBondContact O-N 3.49Å; A178-A182 WeakPolarHBondContact O-CB 3.34Å; A178-A182 PolarHBondContact O-N 2.89Å
179C93.3Very high95.5Very high75 Ų7559.4 Ų59.451%0.50733%0.332SS..Hα-helixtrans-55.8-36.1-177.5-59.30000113.6S183C179-S183 PolarHBondContact O-N 3.2Å
180V95.3Very high95.6Very high102 Ų10258.3 Ų58.362%0.61833%0.326SS*.Hα-helixtrans-72.8-28.4178.2-179.10000112.2A178 S183 K184A178-V180 PolarHBondContact O-N 3.02Å; A178-V180 VanDerWaalsContact O-N 3.12Å; V180-S183 PolarHBondContact O-OG 2.87Å; V180-K184 WeakPolarHBondContact O-CE 3.12Å
181E95.9Very high95.7Very high87 Ų8755.4 Ų55.441%0.40731%0.305SS..Hα-helixtrans-79.8-42.9174.7-64.5178.3139.900110.1L177 A178 S183 K184 S187L177-E181 HydrophobicContact CB-CB 4.29Å; A178-E181 HydrophobicContact CB-CG 4.28Å; A178-E181 PolarHBondContact N-OE2 2.97Å; A178-E181 WeakPolarHBondContact O-CB 3.49Å; A178-E181 PolarHBondContact O-N 3.49Å; E181-S183 PolarHBondContact O-N 3.5Å; E181-K184 WeakPolarHBondContact O-CB 3.14Å; E181-K184 PolarHBondContact O-N 3.47Å; E181-S187 VanDerWaalsContact O-CB 3.24Å; E181-S187 WeakPolarHBondContact O-CB 3.47Å; E181-S187 PolarHBondContact O-OG 3.03Å
182A96.4Very high95.6Very high0 Ų055.8 Ų55.80%030%0.304CS..Hα-helixtrans-60.5-18.6176.800000113.3L177 A178 K184 Y188 V238 P254L177-A182 HydrophobicContact CB-CB 4.06Å; L177-A182 HydrophobicContact CD1-CB 4.36Å; A178-A182 WeakPolarHBondContact O-CB 3.34Å; A178-A182 PolarHBondContact O-N 2.89Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 3.31Å; A182-Y188 WeakPolarHBondContact O-CE2 3.18Å; A182-Y188 PolarHBondContact O-OH 3.35Å; A182-Y188 VanDerWaalsContact O-OH 3.05Å; A182-V238 HydrophobicContact CB-CG2 3.94Å; A182-P254 HydrophobicContact CB-CG 4.09Å
183S95.3Very high95.6Very high57 Ų5749.8 Ų49.840%0.39929%0.286SS..THydrogen-bonded Turntrans-81.6-0.6173.474.10000114.2C179 V180 E181C179-S183 PolarHBondContact O-N 3.2Å; V180-S183 PolarHBondContact O-OG 2.87Å; E181-S183 PolarHBondContact O-N 3.5Å
184K97Very high95.4Very high95 Ų9547.1 Ų47.141%0.41327%0.266SS..SBendtrans-113.6136.5-173.2-60.6179-175.7179.50111.1V180 E181 A182 L186 S187 Y188V180-K184 WeakPolarHBondContact O-CE 3.12Å; E181-K184 WeakPolarHBondContact O-CB 3.14Å; E181-K184 PolarHBondContact O-N 3.47Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 3.31Å; K184-L186 VanDerWaalsContact C-N 3.26Å; K184-L186 HydrophobicContact CB-CD2 4.3Å; K184-L186 HydrophobicContact CD-CD2 3.97Å; K184-L186 PolarHBondContact O-N 3.2Å; K184-S187 WeakPolarHBondContact O-CB 3.46Å; K184-S187 PolarHBondContact O-N 3.27Å; K184-Y188 WeakPolarHBondContact O-CD2 3.25Å; K184-Y188 WeakPolarHBondContact O-CE2 3.43Å
185L96.9Very high95.1Very high53 Ų5349.7 Ų49.728%0.27728%0.283SS..G310 helixtrans-60.2-37.7175.2-68.3174000111.6S187 Y188 T217 I218 E219 W227 I229L185-S187 PolarHBondContact O-N 3.4Å; L185-Y188 PolarHBondContact O-N 3.11Å; L185-T217 PolarHBondContact O-OG1 3.33Å; L185-I218 HydrophobicContact CB-CD1 4.46Å; L185-I218 HydrophobicContact CB-CG1 4.1Å; L185-I218 HydrophobicContact CD2-CD1 3.62Å; L185-I218 HydrophobicContact CD2-CG1 4.09Å; L185-I218 VanDerWaalsContact O-CG1 3.27Å; L185-I218 WeakPolarHBondContact O-CG1 3.45Å; L185-E219 HydrophobicContact CB-CB 3.93Å; L185-E219 HydrophobicContact CB-CG 4.41Å; L185-W227 HydrophobicContact CD2-CB 3.68Å; L185-W227 HydrophobicContact CD2-CG 4.46Å; L185-I229 HydrophobicContact CD2-CD1 3.85Å; L185-I229 HydrophobicContact CD2-CG1 4.01Å; L185-I229 HydrophobicContact CG-CD1 4.24Å
186L95.3Very high94.5Very high71 Ų7145 Ų4537%0.37226%0.263SS..G310 helixtrans-55.7-22.2178107.597.4000113.8K184 Y188 F189 T217 E219K184-L186 VanDerWaalsContact C-N 3.26Å; K184-L186 HydrophobicContact CB-CD2 4.3Å; K184-L186 HydrophobicContact CD-CD2 3.97Å; K184-L186 PolarHBondContact O-N 3.2Å; L186-Y188 VanDerWaalsContact C-N 3.28Å; L186-Y188 PolarHBondContact O-N 3.44Å; L186-F189 VanDerWaalsContact O-CE2 3.3Å; L186-F189 WeakPolarHBondContact O-CE2 3.46Å; L186-T217 VanDerWaalsContact CA-OG1 3.32Å; L186-T217 WeakPolarHBondContact CA-OG1 3.42Å; L186-E219 HydrophobicContact CB-CB 4.46Å; L186-E219 WeakPolarHBondContact CB-OE2 3.32Å
187S96.9Very high93.6Very high5 Ų545.7 Ų45.74%0.03526%0.262CS..G310 helixtrans-85.63.4-178.4-64.40000113.7P156 R157 E181 K184 L185P156-S187 CarbonylContact C-O 3.52Å; R157-S187 WeakPolarHBondContact CB-O 3.19Å; R157-S187 PolarHBondContact N-O 2.74Å; E181-S187 VanDerWaalsContact O-CB 3.24Å; E181-S187 WeakPolarHBondContact O-CB 3.47Å; E181-S187 PolarHBondContact O-OG 3.03Å; K184-S187 WeakPolarHBondContact O-CB 3.46Å; K184-S187 PolarHBondContact O-N 3.27Å; L185-S187 PolarHBondContact O-N 3.4Å
188Y97.6Very high92.6Very high0 Ų048.9 Ų48.90%028%0.283CS..EExtended strand (participates in β ladder)trans-123.3140.3177-58.9-83.7000111V155 P156 L177 A182 K184 L185 L186 T217 I218 I229 V238 V240 L250V155-Y188 WeakPolarHBondContact O-CA 3.24Å; P156-Y188 HydrophobicContact CG-CE1 4.48Å; L177-Y188 HydrophobicContact CD1-CE1 4.23Å; A182-Y188 WeakPolarHBondContact O-CE2 3.18Å; A182-Y188 PolarHBondContact O-OH 3.35Å; A182-Y188 VanDerWaalsContact O-OH 3.05Å; K184-Y188 WeakPolarHBondContact O-CD2 3.25Å; K184-Y188 WeakPolarHBondContact O-CE2 3.43Å; L185-Y188 PolarHBondContact O-N 3.11Å; L186-Y188 VanDerWaalsContact C-N 3.28Å; L186-Y188 PolarHBondContact O-N 3.44Å; Y188-T217 WeakPolarHBondContact O-CA 3.4Å; Y188-T217 PolarHBondContact O-OG1 3.49Å; Y188-I218 HydrophobicContact CD2-CD1 4.27Å; Y188-I218 HydrophobicContact CG-CD1 4.24Å; Y188-I218 PolarHBondContact O-N 3.01Å; Y188-I218 VanDerWaalsContact O-N 3.13Å; Y188-I229 HydrophobicContact CD2-CD1 4.43Å; Y188-I229 HydrophobicContact CE2-CD1 4.02Å; Y188-V238 WeakPolarHBondContact OH-CG1 3.5Å; Y188-V240 HydrophobicContact CD1-CG2 4.06Å; Y188-V240 HydrophobicContact CD2-CG2 4.12Å; Y188-V240 HydrophobicContact CE1-CG2 3.64Å; Y188-V240 HydrophobicContact CE2-CG2 3.72Å; Y188-V240 HydrophobicContact CG-CG2 4.28Å; Y188-V240 VanDerWaalsContact CZ-CG2 3.45Å; Y188-L250 HydrophobicContact CD1-CD2 4.12Å; Y188-L250 HydrophobicContact CE1-CD2 3.72Å
189F96.7Very high91.9Very high17 Ų1752.7 Ų52.78%0.07530%0.296CS..EExtended strand (participates in β ladder)trans-132.4142.3-170.3-71.7-95.3000111.8I154 V155 R157 L186 L215 D216I154-F189 CarbonylContact C-O 3.51Å; I154-F189 WeakPolarHBondContact CA-O 3.23Å; I154-F189 WeakPolarHBondContact CB-O 3.5Å; V155-F189 PolarHBondContact N-O 3.25Å; V155-F189 PolarHBondContact O-N 2.87Å; R157-F189 HydrophobicContact CB-CD2 3.91Å; R157-F189 HydrophobicContact CB-CE2 3.53Å; R157-F189 HydrophobicContact CG-CD2 4.19Å; R157-F189 HydrophobicContact CG-CE2 3.47Å; R157-F189 VanDerWaalsContact CG-CE2 3.47Å; R157-F189 HydrophobicContact CG-CZ 4.16Å; L186-F189 VanDerWaalsContact O-CE2 3.3Å; L186-F189 WeakPolarHBondContact O-CE2 3.46Å; F189-L215 HydrophobicContact CB-CB 3.85Å; F189-L215 HydrophobicContact CB-CD1 4.14Å; F189-L215 HydrophobicContact CD1-CB 3.8Å; F189-L215 WeakPolarHBondContact CD1-O 3.26Å; F189-L215 WeakPolarHBondContact CE1-O 3.46Å; F189-L215 HydrophobicContact CG-CB 4.21Å; F189-D216 CarbonylContact C-O 3.07Å; F189-D216 VanDerWaalsContact CA-O 3.23Å; F189-D216 WeakPolarHBondContact CA-O 3.45Å; F189-D216 WeakPolarHBondContact CD1-O 3.42Å
190H96.8Very high91.4Very high2 Ų251.6 Ų51.61%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-67.3126.9174.3-73.2-67.8000111.7E151 R192 L215 D216 D221E151-H190 PolarHBondContact O-CE1 3.01Å; H190-R192 HydrophobicContact CB-CG 3.81Å; H190-R192 PolarHBondContact O-N 3.35Å; H190-L215 WeakPolarHBondContact O-CD1 3.13Å; H190-L215 WeakPolarHBondContact O-CD2 3.2Å; H190-D216 PolarHBondContact N-O 2.73Å; H190-D221 IonicContact CD2-OD1 2.65Å; H190-D221 IonicContact CE1-OD1 3.89Å; H190-D221 IonicContact CE1-OD2 3.67Å; H190-D221 PolarHBondContact CE1-OD2 3.17Å; H190-D221 VanDerWaalsContact CE1-OD2 3.22Å; H190-D221 IonicContact NE2-OD1 2.8Å; H190-D221 PolarHBondContact NE2-OD1 3.32Å; H190-D221 IonicContact NE2-OD2 3.76Å; H190-D221 PolarHBondContact NE2-OD2 3.24Å
191C94.5Very high91Very high7 Ų750.3 Ų50.35%0.04728%0.277CS..SBendtrans-87.157.3-178.1-165.20000112.1L68 K71 V153 V155 F160L68-C191 WeakPolarHBondContact CD2-O 3.15Å; K71-C191 PolarHBondContact NZ-O 3.11Å; V153-C191 HydrophobicContact CG1-CB 4.04Å; V153-C191 WeakPolarHBondContact O-CB 3.45Å; V153-C191 PolarHBondContact O-N 3.44Å; V155-C191 HydrophobicContact CG1-CB 4.36Å; V155-C191 HydrophobicContact CG2-CB 4.47Å; F160-C191 VanDerWaalsContact CE2-SG 3.58Å
192R93.9Very high90.3Very high39 Ų3952.9 Ų52.915%0.14729%0.292CS..SBendtrans-149166.8-178.951.8150.5177.1159.2-1.5110.4E150 H190 L215E150-R192 WeakPolarHBondContact O-CD 3.5Å; E150-R192 VanDerWaalsContact O-CZ 3.25Å; E150-R192 PolarHBondContact O-NE 2.94Å; E150-R192 WeakPolarHBondContact OE1-CD 3.39Å; E150-R192 IonicContact OE1-CZ 2.69Å; E150-R192 IonicContact OE1-NE 3.73Å; E150-R192 IonicContact OE1-NH1 3.92Å; E150-R192 PolarHBondContact OE1-NH1 3.43Å; H190-R192 HydrophobicContact CB-CG 3.81Å; H190-R192 PolarHBondContact O-N 3.35Å; R192-L215 WeakPolarHBondContact O-CD2 3.41Å
193P91.1Very high89.9Confident77 Ų7756.3 Ų56.350%0.532%0.321SS..  trans-54.5134.3172.6-25.436.1000111.3V195P193-V195 PolarHBondContact O-N 2.78Å
194P90.8Very high89.4Confident43 Ų4358.4 Ų58.428%0.27932%0.324SS..  trans-67132.7-176.928.6-36.5000111.1M197 F214 D216P194-M197 HydrophobicContact CB-CB 3.74Å; P194-M197 HydrophobicContact CG-CB 4.43Å; P194-F214 WeakPolarHBondContact CG-O 3.35Å; P194-D216 WeakPolarHBondContact CA-OD2 3.35Å
195V89.4Confident88.6Confident74 Ų7458.7 Ų58.745%0.44832%0.323SS..SBendtrans-99-40.7176.8177.50000110.9P193 D216P193-V195 PolarHBondContact O-N 2.78Å; V195-D216 PolarHBondContact N-OD2 2.82Å
196N82.6Confident87.9Confident63 Ų6360.2 Ų60.234%0.33734%0.343SS..SBendtrans-92.4-30.9-173.5-67.3-23.8000112.9P198 N199 K200 D216N196-P198 VanDerWaalsContact C-N 3.33Å; N196-N199 WeakPolarHBondContact O-CA 3.34Å; N196-N199 WeakPolarHBondContact O-CB 3.31Å; N196-N199 PolarHBondContact O-N 3.18Å; N196-K200 PolarHBondContact O-N 2.84Å; N196-D216 PolarHBondContact N-OD1 3.44Å; N196-D216 PolarHBondContact N-OD2 3.45Å
197M77.5Confident87.5Confident33 Ų3365.5 Ų65.516%0.16336%0.363CS..G310 helixtrans-52.4-39.1-178.4-154.2-86.8-84.600114.8P194 N199 K200 R205 D216P194-M197 HydrophobicContact CB-CB 3.74Å; P194-M197 HydrophobicContact CG-CB 4.43Å; M197-N199 PolarHBondContact O-N 2.84Å; M197-K200 PolarHBondContact O-N 2.9Å; M197-R205 HydrophobicContact SD-CG 4.48Å; M197-D216 WeakPolarHBondContact CB-OD1 3.32Å; M197-D216 PolarHBondContact N-OD1 3.32Å
198P76.5Confident87Confident74 Ų7468.1 Ų68.148%0.48138%0.376SS..G310 helixtrans-58.3-30.4174.1-2535.4000114.2N196 R205N196-P198 VanDerWaalsContact C-N 3.33Å; P198-R205 PolarHBondContact O-NH1 2.83Å
199N80.4Confident86.5Confident133 Ų13371.8 Ų71.871%0.71140%0.396SS*.G310 helixtrans-88.2-10.4-175.6-60-30.2000113.1N196 M197N196-N199 WeakPolarHBondContact O-CA 3.34Å; N196-N199 WeakPolarHBondContact O-CB 3.31Å; N196-N199 PolarHBondContact O-N 3.18Å; M197-N199 PolarHBondContact O-N 2.84Å
200K83.2Confident86.1Confident52 Ų5279.4 Ų79.423%0.22643%0.429CS..SBendtrans-66.3143.1179.2-70.2-162.3177.4-162.90111.9N196 M197 R205 D220N196-K200 PolarHBondContact O-N 2.84Å; M197-K200 PolarHBondContact O-N 2.9Å; K200-R205 HydrophobicContact CB-CG 3.9Å; K200-R205 WeakPolarHBondContact O-CD 3.43Å; K200-D220 VanDerWaalsContact CE-OD2 3.28Å; K200-D220 WeakPolarHBondContact CE-OD2 3.45Å; K200-D220 IonicContact NZ-OD2 2.73Å; K200-D220 PolarHBondContact NZ-OD2 2.89Å
201P86.3Confident85.8Confident75 Ų7580.6 Ų80.649%0.48744%0.439SS..  trans-53.8143.4176.2-24.833.1000112.6A203 E204 R205P201-A203 PolarHBondContact O-N 2.8Å; P201-A203 VanDerWaalsContact O-N 3.14Å; P201-E204 PolarHBondContact O-N 2.84Å; P201-R205 PolarHBondContact O-N 2.84Å; P201-R205 VanDerWaalsContact O-N 3.09Å
202L82.1Confident85.8Confident140 Ų14082.2 Ų82.273%0.73345%0.447SS*.Hα-helixtrans-56.3-36.1-178.2-173.867.3000112.6E204 R205 A206L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 3.38Å; L202-R205 PolarHBondContact O-N 2.8Å; L202-A206 WeakPolarHBondContact O-CB 3.44Å; L202-A206 PolarHBondContact O-N 2.86Å
203A86.5Confident85.6Confident73 Ų7381 Ų8160%0.60344%0.444SS*.Hα-helixtrans-64.3-35.8179.600000113.1P201P201-A203 PolarHBondContact O-N 2.8Å; P201-A203 VanDerWaalsContact O-N 3.14Å
204E84.7Confident85.7Confident100 Ų10077.7 Ų77.747%0.46742%0.421SS..Hα-helixtrans-74.9-45.1175.4-70.9178.4-169.900110.6P201 L202 A206 K207P201-E204 PolarHBondContact O-N 2.84Å; L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 3.38Å; E204-A206 PolarHBondContact O-N 3.14Å; E204-A206 VanDerWaalsContact O-N 3.15Å; E204-K207 WeakPolarHBondContact O-CB 3.16Å; E204-K207 PolarHBondContact O-N 2.86Å
205R80.7Confident85.8Confident102 Ų10276.2 Ų76.239%0.38541%0.411SS..Hα-helixtrans-58.4-29.9177-67.9178.162.7-177.3-0.4112.9M197 P198 K200 P201 L202 K207 L208M197-R205 HydrophobicContact SD-CG 4.48Å; P198-R205 PolarHBondContact O-NH1 2.83Å; K200-R205 HydrophobicContact CB-CG 3.9Å; K200-R205 WeakPolarHBondContact O-CD 3.43Å; P201-R205 PolarHBondContact O-N 2.84Å; P201-R205 VanDerWaalsContact O-N 3.09Å; L202-R205 PolarHBondContact O-N 2.8Å; R205-K207 VanDerWaalsContact C-N 3.26Å; R205-K207 PolarHBondContact O-N 3.43Å; R205-L208 PolarHBondContact O-N 2.91Å
206A81.8Confident86.1Confident84 Ų8472.9 Ų72.969%0.69439%0.391SS*.THydrogen-bonded Turntrans-69.6-20.6176.900000113.8L202 E204L202-A206 WeakPolarHBondContact O-CB 3.44Å; L202-A206 PolarHBondContact O-N 2.86Å; E204-A206 PolarHBondContact O-N 3.14Å; E204-A206 VanDerWaalsContact O-N 3.15Å
207K86.4Confident86.6Confident182 Ų18270.4 Ų70.479%0.79138%0.378SS*.THydrogen-bonded Turntrans-88.9-16.9178.5-62.3176.6-176.5175.70113.2E204 R205E204-K207 WeakPolarHBondContact O-CB 3.16Å; E204-K207 PolarHBondContact O-N 2.86Å; R205-K207 VanDerWaalsContact C-N 3.26Å; R205-K207 PolarHBondContact O-N 3.43Å
208L86.4Confident87.5Confident61 Ų6169 Ų6932%0.31937%0.371SS..SBendtrans-77.5140.7-176.2-62.9-177.8000111.4R205 K210 D213R205-L208 PolarHBondContact O-N 2.91Å; L208-K210 PolarHBondContact O-N 3.45Å; L208-D213 HydrophobicContact CB-CB 3.86Å; L208-D213 HydrophobicContact CD2-CB 3.99Å; L208-D213 HydrophobicContact CG-CB 4.33Å
209D89.2Confident88.4Confident76 Ų7670.6 Ų70.641%0.40637%0.372SS..  trans-76.4111.7168.2-173.4-36.9000108.9A211 I212 D213D209-A211 PolarHBondContact O-N 3.3Å; D209-A211 VanDerWaalsContact OD1-CB 3.32Å; D209-A211 WeakPolarHBondContact OD1-CB 3.3Å; D209-A211 PolarHBondContact OD1-N 3.3Å; D209-I212 HydrophobicContact CB-CB 4.29Å; D209-I212 PolarHBondContact O-N 3.05Å; D209-I212 VanDerWaalsContact O-N 3.07Å; D209-D213 PolarHBondContact N-OD2 2.81Å; D209-D213 WeakPolarHBondContact O-CA 3.39Å; D209-D213 WeakPolarHBondContact O-CB 3.3Å; D209-D213 PolarHBondContact O-N 2.82Å
210K87.6Confident89Confident177 Ų17767.8 Ų67.877%0.7736%0.357SS*.THydrogen-bonded Turntrans-61.1-21.1-176.9-65.3-179.7-178.3175.80114.3L208L208-K210 PolarHBondContact O-N 3.45Å
211A91.2Very high89.5Confident28 Ų2866.7 Ų66.723%0.23135%0.353CS..THydrogen-bonded Turntrans-83.4-31.2178.800000111.6I161 R162 D209 F214I161-A211 CarbonylContact C-O 3.03Å; I161-A211 WeakPolarHBondContact CA-O 3.48Å; I161-A211 HydrophobicContact CD1-CB 4.08Å; I161-A211 HydrophobicContact CG1-CB 3.81Å; I161-A211 WeakPolarHBondContact CG1-O 3.33Å; R162-A211 PolarHBondContact N-O 2.95Å; D209-A211 PolarHBondContact O-N 3.3Å; D209-A211 VanDerWaalsContact OD1-CB 3.32Å; D209-A211 WeakPolarHBondContact OD1-CB 3.3Å; D209-A211 PolarHBondContact OD1-N 3.3Å; A211-F214 VanDerWaalsContact O-CD1 3.24Å; A211-F214 WeakPolarHBondContact O-CD1 3.37Å; A211-F214 WeakPolarHBondContact O-CE1 3.48Å
212I92.8Very high89.7Confident40 Ų4072.3 Ų72.321%0.20537%0.366CS..THydrogen-bonded Turntrans-108.6-47.8-173.5-63.3172.1000112R157 D209 F214R157-I212 HydrophobicContact CG-CG2 4.01Å; D209-I212 HydrophobicContact CB-CB 4.29Å; D209-I212 PolarHBondContact O-N 3.05Å; D209-I212 VanDerWaalsContact O-N 3.07Å; I212-F214 VanDerWaalsContact C-N 3.27Å; I212-F214 WeakPolarHBondContact O-CD1 3.49Å; I212-F214 PolarHBondContact O-N 3.4Å
213D91.4Very high90.3Very high15 Ų1566.1 Ų66.18%0.0834%0.335CS..SBendtrans-92.150.4-176.2-56.9-44.5000111.1R157 L208 D209R157-D213 IonicContact CZ-OD1 3.24Å; R157-D213 VanDerWaalsContact CZ-OD1 3.24Å; R157-D213 IonicContact CZ-OD2 3.8Å; R157-D213 IonicContact NE-OD1 3.87Å; R157-D213 PolarHBondContact NE-OD1 3.42Å; R157-D213 IonicContact NE-OD2 2.8Å; R157-D213 VanDerWaalsContact NH2-CG 3.3Å; R157-D213 IonicContact NH2-OD1 3.01Å; R157-D213 PolarHBondContact NH2-OD1 3.19Å; R157-D213 IonicContact NH2-OD2 2.82Å; R157-D213 PolarHBondContact NH2-OD2 2.83Å; L208-D213 HydrophobicContact CB-CB 3.86Å; L208-D213 HydrophobicContact CD2-CB 3.99Å; L208-D213 HydrophobicContact CG-CB 4.33Å; D209-D213 PolarHBondContact N-OD2 2.81Å; D209-D213 WeakPolarHBondContact O-CA 3.39Å; D209-D213 WeakPolarHBondContact O-CB 3.3Å; D209-D213 PolarHBondContact O-N 2.82Å
214F92.4Very high90.5Very high7 Ų770.7 Ų70.73%0.03134%0.344CS..  trans-99.9-6.3-178.968.5-85.7000113.9L68 F160 R162 V168 P194 A211 I212L68-F214 HydrophobicContact CD1-CE2 4.25Å; F160-F214 HydrophobicContact CB-CZ 4.13Å; R162-F214 HydrophobicContact CB-CB 4.44Å; R162-F214 HydrophobicContact CB-CD1 3.77Å; R162-F214 HydrophobicContact CB-CD2 4.21Å; R162-F214 HydrophobicContact CB-CE1 4.05Å; R162-F214 HydrophobicContact CB-CE2 4.44Å; R162-F214 HydrophobicContact CB-CG 3.87Å; R162-F214 HydrophobicContact CB-CZ 4.38Å; V168-F214 HydrophobicContact CB-CE2 4.43Å; V168-F214 HydrophobicContact CB-CZ 4.44Å; V168-F214 HydrophobicContact CG1-CE2 3.9Å; V168-F214 HydrophobicContact CG1-CZ 3.55Å; V168-F214 HydrophobicContact CG2-CD2 4.42Å; V168-F214 HydrophobicContact CG2-CE2 3.6Å; V168-F214 HydrophobicContact CG2-CZ 4.01Å; P194-F214 WeakPolarHBondContact CG-O 3.35Å; A211-F214 VanDerWaalsContact O-CD1 3.24Å; A211-F214 WeakPolarHBondContact O-CD1 3.37Å; A211-F214 WeakPolarHBondContact O-CE1 3.48Å; I212-F214 VanDerWaalsContact C-N 3.27Å; I212-F214 WeakPolarHBondContact O-CD1 3.49Å; I212-F214 PolarHBondContact O-N 3.4Å
215L93.7Very high90.9Very high12 Ų1268.3 Ų68.36%0.06335%0.345CS..SBendtrans-105.2166.9-179.4-63.2174.6000110.6L68 V155 F189 H190 R192L68-L215 HydrophobicContact CD1-CD2 4.11Å; V155-L215 HydrophobicContact CG2-CD1 4.47Å; F189-L215 HydrophobicContact CB-CB 3.85Å; F189-L215 HydrophobicContact CB-CD1 4.14Å; F189-L215 HydrophobicContact CD1-CB 3.8Å; F189-L215 WeakPolarHBondContact CD1-O 3.26Å; F189-L215 WeakPolarHBondContact CE1-O 3.46Å; F189-L215 HydrophobicContact CG-CB 4.21Å; H190-L215 WeakPolarHBondContact O-CD1 3.13Å; H190-L215 WeakPolarHBondContact O-CD2 3.2Å; R192-L215 WeakPolarHBondContact O-CD2 3.41Å
216D93.9Very high91.6Very high4 Ų463.5 Ų63.52%0.02133%0.328CS..  trans-81.8139.9172.6-66-31.9000110.6F189 H190 P194 V195 N196 M197F189-D216 CarbonylContact C-O 3.07Å; F189-D216 VanDerWaalsContact CA-O 3.23Å; F189-D216 WeakPolarHBondContact CA-O 3.45Å; F189-D216 WeakPolarHBondContact CD1-O 3.42Å; H190-D216 PolarHBondContact N-O 2.73Å; P194-D216 WeakPolarHBondContact CA-OD2 3.35Å; V195-D216 PolarHBondContact N-OD2 2.82Å; N196-D216 PolarHBondContact N-OD1 3.44Å; N196-D216 PolarHBondContact N-OD2 3.45Å; M197-D216 WeakPolarHBondContact CB-OD1 3.32Å; M197-D216 PolarHBondContact N-OD1 3.32Å
217T94.4Very high92.4Very high11 Ų1160.4 Ų60.47%0.06730%0.298CS..BIsolated β-bridgetrans-86.2148.9176-179.70000111.1L185 L186 Y188 E219 D220L185-T217 PolarHBondContact O-OG1 3.33Å; L186-T217 VanDerWaalsContact CA-OG1 3.32Å; L186-T217 WeakPolarHBondContact CA-OG1 3.42Å; Y188-T217 WeakPolarHBondContact O-CA 3.4Å; Y188-T217 PolarHBondContact O-OG1 3.49Å; T217-E219 HydrophobicContact CG2-CB 4.11Å; T217-E219 PolarHBondContact O-N 3.47Å; T217-E219 PolarHBondContact OG1-N 2.99Å; T217-D220 HydrophobicContact CG2-CB 4.45Å; T217-D220 VanDerWaalsContact CG2-OD2 3.27Å; T217-D220 WeakPolarHBondContact CG2-OD2 3.34Å; T217-D220 PolarHBondContact O-N 2.85Å
218I96.6Very high92.8Very high2 Ų254.5 Ų54.51%0.0128%0.277CS..G310 helixtrans-72.5-12175.268.4171.3000113.6I154 L185 Y188 D220 D221 W227 V240I154-I218 HydrophobicContact CB-CG2 4.35Å; I154-I218 HydrophobicContact CD1-CD1 4.3Å; I154-I218 HydrophobicContact CG2-CG2 3.42Å; I154-I218 VanDerWaalsContact CG2-CG2 3.42Å; L185-I218 HydrophobicContact CB-CD1 4.46Å; L185-I218 HydrophobicContact CB-CG1 4.1Å; L185-I218 HydrophobicContact CD2-CD1 3.62Å; L185-I218 HydrophobicContact CD2-CG1 4.09Å; L185-I218 VanDerWaalsContact O-CG1 3.27Å; L185-I218 WeakPolarHBondContact O-CG1 3.45Å; Y188-I218 HydrophobicContact CD2-CD1 4.27Å; Y188-I218 HydrophobicContact CG-CD1 4.24Å; Y188-I218 PolarHBondContact O-N 3.01Å; Y188-I218 VanDerWaalsContact O-N 3.13Å; I218-D220 PolarHBondContact O-N 2.86Å; I218-D221 WeakPolarHBondContact O-CB 3.36Å; I218-D221 PolarHBondContact O-N 2.84Å; I218-W227 HydrophobicContact CB-CG 4.45Å; I218-W227 HydrophobicContact CD1-CB 4.38Å; I218-W227 HydrophobicContact CD1-CD2 4.09Å; I218-W227 HydrophobicContact CD1-CE3 4.49Å; I218-W227 HydrophobicContact CD1-CG 4.01Å; I218-W227 HydrophobicContact CG2-CZ2 4.14Å; I218-V240 HydrophobicContact CD1-CG1 4Å
219E95Very high93.4Very high108 Ų10853.6 Ų53.651%0.50527%0.272SS..G310 helixtrans-63.8-29.3175-175.9171.1-108.800111.9L185 L186 T217 D221L185-E219 HydrophobicContact CB-CB 3.93Å; L185-E219 HydrophobicContact CB-CG 4.41Å; L186-E219 HydrophobicContact CB-CB 4.46Å; L186-E219 WeakPolarHBondContact CB-OE2 3.32Å; T217-E219 HydrophobicContact CG2-CB 4.11Å; T217-E219 PolarHBondContact O-N 3.47Å; T217-E219 PolarHBondContact OG1-N 2.99Å; E219-D221 VanDerWaalsContact C-N 3.3Å
220D92.5Very high93.7Very high75 Ų7553.2 Ų53.240%0.40127%0.268SS..G310 helixtrans-87.54.9179.8-60.5-38.9000112.7K200 T217 I218K200-D220 VanDerWaalsContact CE-OD2 3.28Å; K200-D220 WeakPolarHBondContact CE-OD2 3.45Å; K200-D220 IonicContact NZ-OD2 2.73Å; K200-D220 PolarHBondContact NZ-OD2 2.89Å; T217-D220 HydrophobicContact CG2-CB 4.45Å; T217-D220 VanDerWaalsContact CG2-OD2 3.27Å; T217-D220 WeakPolarHBondContact CG2-OD2 3.34Å; T217-D220 PolarHBondContact O-N 2.85Å; I218-D220 PolarHBondContact O-N 2.86Å
221D94.1Very high94.1Very high28 Ų2848.9 Ų48.915%0.1525%0.249CC..  trans-76148.6-177.4-75.4-8.4000112.4H190 I218 E219 W227H190-D221 IonicContact CD2-OD1 2.65Å; H190-D221 IonicContact CE1-OD1 3.89Å; H190-D221 IonicContact CE1-OD2 3.67Å; H190-D221 PolarHBondContact CE1-OD2 3.17Å; H190-D221 VanDerWaalsContact CE1-OD2 3.22Å; H190-D221 IonicContact NE2-OD1 2.8Å; H190-D221 PolarHBondContact NE2-OD1 3.32Å; H190-D221 IonicContact NE2-OD2 3.76Å; H190-D221 PolarHBondContact NE2-OD2 3.24Å; I218-D221 WeakPolarHBondContact O-CB 3.36Å; I218-D221 PolarHBondContact O-N 2.84Å; E219-D221 VanDerWaalsContact C-N 3.3Å; D221-W227 PolarHBondContact OD2-NE1 3.11Å
222Y90.9Very high94.1Very high193 Ų19350.1 Ų50.176%0.75725%0.25SS*.SBendtrans-120.5140.6179.7-173.8-90.8000111.1
223P93.5Very high93.9Very high11 Ų1154.7 Ų54.77%0.07127%0.265CS..SBendcis-69.3152.3-0.930.4-35.6000112.8G225 C226 L273 P274 I277P223-G225 PolarHBondContact O-N 3.11Å; P223-C226 HydrophobicContact CG-CB 4.26Å; P223-C226 WeakPolarHBondContact O-CB 3.49Å; P223-C226 PolarHBondContact O-N 2.8Å; P223-C226 VanDerWaalsContact O-N 3.15Å; P223-C226 PolarHBondContact O-SG 2.83Å; P223-L273 HydrophobicContact CG-CD2 3.86Å; P223-L273 HydrophobicContact CG-CG 4.25Å; P223-P274 HydrophobicContact CG-CG 4.41Å; P223-I277 HydrophobicContact CB-CD1 4Å; P223-I277 HydrophobicContact CG-CD1 4.25Å
224E91.6Very high93.7Very high169 Ų16958.1 Ų58.179%0.7930%0.304SS*.THydrogen-bonded Turntrans-55.5136.8171.8-72.2-176.3-172.800109.8I277E224-I277 WeakPolarHBondContact O-CD1 3.37Å
225G92.9Very high93.5Very high49 Ų4958.6 Ų58.651%0.50531%0.311SS..THydrogen-bonded Turntrans84.77.6-176.100000115P223 W227 L243P223-G225 PolarHBondContact O-N 3.11Å; G225-W227 PolarHBondContact O-N 2.81Å; G225-L243 WeakPolarHBondContact O-CD1 3.48Å
226C96Very high93.4Very high2 Ų263.6 Ų63.61%0.01434%0.338CS..  trans-68.8-7.3175.665.30000115.1P223 L243 L244 L273P223-C226 HydrophobicContact CG-CB 4.26Å; P223-C226 WeakPolarHBondContact O-CB 3.49Å; P223-C226 PolarHBondContact O-N 2.8Å; P223-C226 VanDerWaalsContact O-N 3.15Å; P223-C226 PolarHBondContact O-SG 2.83Å; C226-L243 WeakPolarHBondContact O-CB 3.25Å; C226-L243 PolarHBondContact O-N 3.38Å; C226-L244 HydrophobicContact CB-CD1 4.14Å; C226-L244 HydrophobicContact CB-CG 4.09Å; C226-L273 HydrophobicContact CB-CD2 3.74Å
227W97.2Very high93.5Very high18 Ų1863.5 Ų63.57%0.06834%0.337CS..EExtended strand (participates in β ladder)trans-119.4140.3178.4-68.1103.7000111.4V152 I154 L185 I218 D221 G225 V240 K241 Y248V152-W227 HydrophobicContact CB-CH2 3.72Å; V152-W227 HydrophobicContact CB-CZ2 4.32Å; V152-W227 HydrophobicContact CG1-CH2 3.81Å; V152-W227 HydrophobicContact CG1-CZ2 4.05Å; I154-W227 HydrophobicContact CD1-CE3 4.47Å; I154-W227 HydrophobicContact CD1-CH2 4.17Å; I154-W227 HydrophobicContact CD1-CZ3 3.91Å; I154-W227 HydrophobicContact CG1-CH2 4.34Å; I154-W227 HydrophobicContact CG1-CZ3 4.46Å; I154-W227 HydrophobicContact CG2-CH2 4.07Å; I154-W227 HydrophobicContact CG2-CZ2 4.26Å; L185-W227 HydrophobicContact CD2-CB 3.68Å; L185-W227 HydrophobicContact CD2-CG 4.46Å; I218-W227 HydrophobicContact CB-CG 4.45Å; I218-W227 HydrophobicContact CD1-CB 4.38Å; I218-W227 HydrophobicContact CD1-CD2 4.09Å; I218-W227 HydrophobicContact CD1-CE3 4.49Å; I218-W227 HydrophobicContact CD1-CG 4.01Å; I218-W227 HydrophobicContact CG2-CZ2 4.14Å; D221-W227 PolarHBondContact OD2-NE1 3.11Å; G225-W227 PolarHBondContact O-N 2.81Å; W227-V240 HydrophobicContact CE3-CG1 3.84Å; W227-V240 HydrophobicContact CZ3-CG1 4.32Å; W227-K241 WeakPolarHBondContact CA-O 3.22Å; W227-K241 VanDerWaalsContact CE3-O 3.32Å; W227-Y248 HydrophobicContact CH2-CD1 4.24Å; W227-Y248 HydrophobicContact CH2-CE1 4.24Å; W227-Y248 AromaticContact CZ3-CD1 3.93Å; W227-Y248 HydrophobicContact CZ3-CD1 3.93Å; W227-Y248 HydrophobicContact CZ3-CE1 4.04Å
228V96.6Very high93.7Very high58 Ų5863 Ų6335%0.35233%0.334SS..EExtended strand (participates in β ladder)trans-119.9125.2174.3176.80000109.6V240 K241 L243V228-V240 WeakPolarHBondContact O-CA 3.36Å; V228-K241 PolarHBondContact N-O 2.64Å; V228-K241 PolarHBondContact O-N 2.82Å; V228-L243 HydrophobicContact CG2-CD1 3.88Å; V228-L243 HydrophobicContact CG2-CD2 3.93Å; V228-L243 HydrophobicContact CG2-CG 3.99Å
229I97.1Very high93.7Very high42 Ų4262.9 Ų62.922%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-99.2123.6169.1-57.6-179.1000108.5L185 Y188 F231 V238 L239 V240L185-I229 HydrophobicContact CD2-CD1 3.85Å; L185-I229 HydrophobicContact CD2-CG1 4.01Å; L185-I229 HydrophobicContact CG-CD1 4.24Å; Y188-I229 HydrophobicContact CD2-CD1 4.43Å; Y188-I229 HydrophobicContact CE2-CD1 4.02Å; I229-F231 HydrophobicContact CG2-CE2 4.08Å; I229-V238 HydrophobicContact CG2-CG1 3.59Å; I229-L239 CarbonylContact C-O 3.47Å; I229-L239 WeakPolarHBondContact CA-O 3.47Å; I229-V240 HydrophobicContact CG1-CG1 4.46Å; I229-V240 HydrophobicContact CG1-CG2 4.28Å
230Q96.2Very high93.9Very high68 Ų6857.8 Ų57.832%0.31831%0.31SS..EExtended strand (participates in β ladder)trans-126.8131.3-179.7179.4174.8-8.100110.3E232 L239Q230-E232 HydrophobicContact CG-CG 4.49Å; Q230-E232 PolarHBondContact NE2-OE1 3.17Å; Q230-L239 HydrophobicContact CB-CB 4.44Å; Q230-L239 PolarHBondContact N-O 2.85Å; Q230-L239 PolarHBondContact O-N 2.77Å
231F95.2Very high94.1Very high86 Ų8656.4 Ų56.438%0.37730%0.3SS..EExtended strand (participates in β ladder)trans-93.9133.1174.3-74.2-97000110.4I229 V238I229-F231 HydrophobicContact CG2-CE2 4.08Å; F231-V238 HydrophobicContact CD1-CG2 3.6Å; F231-V238 HydrophobicContact CE1-CG2 3.28Å; F231-V238 HydrophobicContact CG-CG2 4.4Å; F231-V238 HydrophobicContact CZ-CG2 3.82Å
232E92.7Very high94.3Very high54 Ų5455.3 Ų55.325%0.25230%0.295SS..EExtended strand (participates in β ladder)trans-125.6161.8-179.2-76.6-63.1151.400110.8Q230 G234 G235 N236 V237 L239Q230-E232 HydrophobicContact CG-CG 4.49Å; Q230-E232 PolarHBondContact NE2-OE1 3.17Å; E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 2.86Å; E232-G235 PolarHBondContact O-N 2.72Å; E232-N236 PolarHBondContact O-N 3.13Å; E232-V237 HydrophobicContact CB-CB 4.21Å; E232-V237 PolarHBondContact N-O 2.8Å; E232-V237 PolarHBondContact O-N 3.36Å; E232-L239 HydrophobicContact CG-CD1 3.71Å; E232-L239 HydrophobicContact CG-CG 4.29Å
233R88.9Confident94.5Very high136 Ų13648.7 Ų48.751%0.51327%0.272SS..G310 helixtrans51.746.7174.9-55.2-175.8-176.5-175.70.4113.6D11 G235 N236 V237D11-R233 PolarHBondContact O-NH2 3.06Å; R233-G235 VanDerWaalsContact C-N 3.28Å; R233-G235 PolarHBondContact O-N 3.02Å; R233-N236 PolarHBondContact O-ND2 3.28Å; R233-V237 HydrophobicContact CG-CG2 4.45Å
234G87.4Confident94.6Very high87 Ų8749 Ų4990%0.89727%0.273SS*.G310 helixtrans7219.3-179.500000114.4E232E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 2.86Å
235G86.9Confident94.9Very high18 Ų1841 Ų4119%0.18624%0.236CC..G310 helixtrans94.32.4179.900000114.7E232 R233 V237E232-G235 PolarHBondContact O-N 2.72Å; R233-G235 VanDerWaalsContact C-N 3.28Å; R233-G235 PolarHBondContact O-N 3.02Å; G235-V237 VanDerWaalsContact C-N 3.3Å
236N92.6Very high95Very high116 Ų11643.8 Ų43.862%0.6224%0.238SC*.THydrogen-bonded Turntrans-77.4-16.5178.6-68-32.8000113.4E232 R233 P254E232-N236 PolarHBondContact O-N 3.13Å; R233-N236 PolarHBondContact O-ND2 3.28Å; N236-P254 WeakPolarHBondContact O-CD 2.91Å
237V95.9Very high95Very high3 Ų344.6 Ų44.62%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-128.3127.4176.5-178.20000108.2Y12 E232 R233 G235 L239 L253Y12-V237 HydrophobicContact CD1-CG2 3.83Å; Y12-V237 HydrophobicContact CE1-CG2 4.32Å; E232-V237 HydrophobicContact CB-CB 4.21Å; E232-V237 PolarHBondContact N-O 2.8Å; E232-V237 PolarHBondContact O-N 3.36Å; R233-V237 HydrophobicContact CG-CG2 4.45Å; G235-V237 VanDerWaalsContact C-N 3.3Å; V237-L239 HydrophobicContact CG1-CD2 3.89Å; V237-L239 HydrophobicContact CG1-CG 4.35Å; V237-L253 HydrophobicContact CG2-CD1 4.22Å; V237-L253 HydrophobicContact CG2-CG 4.37Å
238V97.4Very high95Very high0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-106129.3171.4-178.80000108.3A182 Y188 I229 F231 V240 Y251 H252 P254A182-V238 HydrophobicContact CB-CG2 3.94Å; Y188-V238 WeakPolarHBondContact OH-CG1 3.5Å; I229-V238 HydrophobicContact CG2-CG1 3.59Å; F231-V238 HydrophobicContact CD1-CG2 3.6Å; F231-V238 HydrophobicContact CE1-CG2 3.28Å; F231-V238 HydrophobicContact CG-CG2 4.4Å; F231-V238 HydrophobicContact CZ-CG2 3.82Å; V238-V240 HydrophobicContact CG1-CG2 4.39Å; V238-Y251 CarbonylContact O-C 3.57Å; V238-Y251 VanDerWaalsContact O-CA 3.3Å; V238-Y251 WeakPolarHBondContact O-CA 3.13Å; V238-H252 PolarHBondContact N-O 2.87Å; V238-H252 PolarHBondContact O-N 2.93Å; V238-P254 HydrophobicContact CG2-CG 3.61Å
239L97.7Very high95.1Very high0 Ų041.5 Ų41.50%023%0.23CC..EExtended strand (participates in β ladder)trans-110.4127175.2-57.8179000108.8V13 I229 Q230 E232 V237 V249 L250V13-L239 HydrophobicContact CG1-CD2 4.47Å; I229-L239 CarbonylContact C-O 3.47Å; I229-L239 WeakPolarHBondContact CA-O 3.47Å; Q230-L239 HydrophobicContact CB-CB 4.44Å; Q230-L239 PolarHBondContact N-O 2.85Å; Q230-L239 PolarHBondContact O-N 2.77Å; E232-L239 HydrophobicContact CG-CD1 3.71Å; E232-L239 HydrophobicContact CG-CG 4.29Å; V237-L239 HydrophobicContact CG1-CD2 3.89Å; V237-L239 HydrophobicContact CG1-CG 4.35Å; L239-V249 HydrophobicContact CB-CG1 4.37Å; L239-V249 HydrophobicContact CD2-CG1 4.13Å; L239-L250 CarbonylContact C-O 3.58Å; L239-L250 VanDerWaalsContact CA-O 3.26Å; L239-L250 WeakPolarHBondContact CA-O 3.39Å
240V98Very high95.1Very high0 Ų039.5 Ų39.50%022%0.219CC..EExtended strand (participates in β ladder)trans-112.4120172.5-171.40000107.9I154 Y188 I218 W227 V228 I229 V238 L250I154-V240 HydrophobicContact CD1-CB 4.06Å; I154-V240 HydrophobicContact CD1-CG1 3.67Å; Y188-V240 HydrophobicContact CD1-CG2 4.06Å; Y188-V240 HydrophobicContact CD2-CG2 4.12Å; Y188-V240 HydrophobicContact CE1-CG2 3.64Å; Y188-V240 HydrophobicContact CE2-CG2 3.72Å; Y188-V240 HydrophobicContact CG-CG2 4.28Å; Y188-V240 VanDerWaalsContact CZ-CG2 3.45Å; I218-V240 HydrophobicContact CD1-CG1 4Å; W227-V240 HydrophobicContact CE3-CG1 3.84Å; W227-V240 HydrophobicContact CZ3-CG1 4.32Å; V228-V240 WeakPolarHBondContact O-CA 3.36Å; I229-V240 HydrophobicContact CG1-CG1 4.46Å; I229-V240 HydrophobicContact CG1-CG2 4.28Å; V238-V240 HydrophobicContact CG1-CG2 4.39Å; V240-L250 HydrophobicContact CB-CB 4.29Å; V240-L250 HydrophobicContact CB-CD2 4.27Å; V240-L250 HydrophobicContact CG2-CD2 3.99Å; V240-L250 PolarHBondContact N-O 2.93Å; V240-L250 PolarHBondContact O-N 3.28Å
241K97.6Very high95.1Very high46 Ų4636.7 Ų36.720%0.221%0.206CC..EExtended strand (participates in β ladder)trans-118.5137.6-172.4-55.9178.8-179.6175.90110.2C16 W227 V228 V249C16-K241 WeakPolarHBondContact SG-CE 3.24Å; W227-K241 WeakPolarHBondContact CA-O 3.22Å; W227-K241 VanDerWaalsContact CE3-O 3.32Å; V228-K241 PolarHBondContact N-O 2.64Å; V228-K241 PolarHBondContact O-N 2.82Å; K241-V249 HydrophobicContact CG-CG1 4.35Å; K241-V249 HydrophobicContact CG-CG2 4.26Å
242S97.1Very high95.2Very high6 Ų632.6 Ų32.64%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-86136170.3-174.40000110.2V152 L244 W245 Y248V152-S242 WeakPolarHBondContact CG1-OG 3.3Å; S242-L244 PolarHBondContact OG-N 2.83Å; S242-W245 PolarHBondContact OG-N 3.28Å; S242-W245 VanDerWaalsContact OG-N 3.15Å; S242-Y248 PolarHBondContact N-O 2.75Å
243L96.5Very high95.4Very high54 Ų5431.1 Ų31.128%0.28318%0.182SC..SBendtrans-93.2-17.2169.7-57.2-175.7000112.7G225 C226 V228 N270 L273G225-L243 WeakPolarHBondContact O-CD1 3.48Å; C226-L243 WeakPolarHBondContact O-CB 3.25Å; C226-L243 PolarHBondContact O-N 3.38Å; V228-L243 HydrophobicContact CG2-CD1 3.88Å; V228-L243 HydrophobicContact CG2-CD2 3.93Å; V228-L243 HydrophobicContact CG2-CG 3.99Å; L243-N270 WeakPolarHBondContact O-CB 3.43Å; L243-N270 PolarHBondContact O-ND2 3Å; L243-L273 HydrophobicContact CB-CD1 3.55Å; L243-L273 HydrophobicContact CB-CD2 3.87Å; L243-L273 HydrophobicContact CB-CG 4.39Å; L243-L273 HydrophobicContact CD1-CD1 4.13Å
244L95.8Very high95.8Very high17 Ų1725.6 Ų25.69%0.08916%0.163CC..SBendtrans-76.5-41.9172.7-75.2173.4000111.4C226 S242 Y269 N270 L273C226-L244 HydrophobicContact CB-CD1 4.14Å; C226-L244 HydrophobicContact CB-CG 4.09Å; S242-L244 PolarHBondContact OG-N 2.83Å; L244-Y269 HydrophobicContact CB-CE2 4.15Å; L244-Y269 HydrophobicContact CD1-CE2 4.5Å; L244-Y269 HydrophobicContact CD2-CE2 4.03Å; L244-Y269 HydrophobicContact CG-CE2 4.46Å; L244-N270 VanDerWaalsContact O-CB 3.26Å; L244-N270 WeakPolarHBondContact O-CB 3.5Å; L244-N270 PolarHBondContact O-N 2.88Å; L244-L273 HydrophobicContact CD2-CB 4.08Å; L244-L273 HydrophobicContact CD2-CD2 3.46Å; L244-L273 VanDerWaalsContact CD2-CD2 3.46Å; L244-L273 HydrophobicContact CD2-CG 4.41Å; L244-L273 HydrophobicContact CG-CD2 3.61Å
245W96.4Very high96.1Very high0 Ų024.1 Ų24.10%015%0.148CC..SBendtrans-114.881.1176-66.790.5000109.9R147 I148 E151 V152 S242 G247 Y248 Y263 G267 Y269R147-W245 HydrophobicContact CB-CH2 3.99Å; R147-W245 HydrophobicContact CB-CZ2 3.92Å; I148-W245 HydrophobicContact CD1-CE3 3.83Å; I148-W245 HydrophobicContact CD1-CZ3 3.8Å; I148-W245 HydrophobicContact CG1-CD2 3.65Å; I148-W245 HydrophobicContact CG1-CE3 3.3Å; I148-W245 HydrophobicContact CG1-CG 4.42Å; I148-W245 HydrophobicContact CG1-CH2 3.74Å; I148-W245 HydrophobicContact CG1-CZ2 4.1Å; I148-W245 HydrophobicContact CG1-CZ3 3.33Å; E151-W245 PolarHBondContact OE2-NE1 3.07Å; V152-W245 HydrophobicContact CG1-CB 4.02Å; V152-W245 HydrophobicContact CG1-CG 3.96Å; V152-W245 HydrophobicContact CG2-CB 4.11Å; V152-W245 HydrophobicContact CG2-CG 4.23Å; S242-W245 PolarHBondContact OG-N 3.28Å; S242-W245 VanDerWaalsContact OG-N 3.15Å; W245-G247 PolarHBondContact O-N 3.44Å; W245-Y248 WeakPolarHBondContact O-CB 3.28Å; W245-Y248 PolarHBondContact O-N 3.28Å; W245-Y263 HydrophobicContact CB-CE2 4.23Å; W245-G267 WeakPolarHBondContact CZ3-O 2.98Å; W245-Y269 HydrophobicContact CD2-CD2 4.3Å; W245-Y269 AromaticContact CE2-CD2 3.65Å; W245-Y269 AromaticContact CZ2-CD2 3.78Å; W245-Y269 HydrophobicContact CZ2-CD2 3.78Å; W245-Y269 HydrophobicContact CZ2-CG 4.47Å; W245-Y269 AromaticContact NE1-CD2 3.63Å; W245-Y269 AromaticContact NE1-CE2 3.99Å
246I95.3Very high96.5Very high108 Ų10825.7 Ų25.755%0.55416%0.155SC*.THydrogen-bonded Turntrans-57123.4179.9-57.7174.7000108.8Y263 N270I246-Y263 PolarHBondContact O-OH 3.36Å; I246-N270 HydrophobicContact CD1-CB 4.41Å
247G96Very high96.6Very high19 Ų1924.8 Ų24.820%0.19615%0.15CC..THydrogen-bonded Turntrans112.4-15.9-174.800000114.1W245 V264W245-G247 PolarHBondContact O-N 3.44Å; G247-V264 WeakPolarHBondContact CA-O 3.49Å; G247-V264 PolarHBondContact O-N 2.78Å
248Y97.9Very high96.5Very high5 Ų528.6 Ų28.62%0.0217%0.166CC..EExtended strand (participates in β ladder)trans-76.5127.5171.6-175.2-92.8000111.5V152 V153 I154 W227 S242 W245 L250 S261V152-Y248 HydrophobicContact CB-CD1 4.1Å; V152-Y248 HydrophobicContact CB-CD2 4.16Å; V152-Y248 HydrophobicContact CB-CE1 4.47Å; V152-Y248 HydrophobicContact CB-CE2 4.5Å; V152-Y248 HydrophobicContact CB-CG 3.94Å; V152-Y248 HydrophobicContact CG2-CD1 4.35Å; V152-Y248 HydrophobicContact CG2-CD2 3.57Å; V152-Y248 HydrophobicContact CG2-CE2 4.14Å; V152-Y248 HydrophobicContact CG2-CG 3.68Å; V152-Y248 WeakPolarHBondContact O-CE1 3.32Å; V152-Y248 WeakPolarHBondContact O-CE2 3.38Å; V152-Y248 PolarHBondContact O-OH 2.88Å; V152-Y248 VanDerWaalsContact O-OH 3.1Å; V153-Y248 HydrophobicContact CG2-CE2 4.13Å; I154-Y248 HydrophobicContact CD1-CE1 4.32Å; I154-Y248 HydrophobicContact CG1-CE1 3.79Å; I154-Y248 WeakPolarHBondContact CG1-OH 3.11Å; I154-Y248 PolarHBondContact N-OH 3.2Å; W227-Y248 HydrophobicContact CH2-CD1 4.24Å; W227-Y248 HydrophobicContact CH2-CE1 4.24Å; W227-Y248 AromaticContact CZ3-CD1 3.93Å; W227-Y248 HydrophobicContact CZ3-CD1 3.93Å; W227-Y248 HydrophobicContact CZ3-CE1 4.04Å; S242-Y248 PolarHBondContact N-O 2.75Å; W245-Y248 WeakPolarHBondContact O-CB 3.28Å; W245-Y248 PolarHBondContact O-N 3.28Å; Y248-L250 HydrophobicContact CE1-CB 4.24Å; Y248-S261 WeakPolarHBondContact OH-CB 3.45Å; Y248-S261 PolarHBondContact OH-OG 3.38Å
249V97.8Very high96.4Very high7 Ų731 Ų314%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-139.2126.5174.1-173.10000109.9V13 C16 I18 L239 K241 S261 V262V13-V249 HydrophobicContact CG1-CB 4.41Å; V13-V249 HydrophobicContact CG1-CG1 3.94Å; C16-V249 HydrophobicContact CB-CG2 4.2Å; I18-V249 HydrophobicContact CD1-CB 4.37Å; I18-V249 HydrophobicContact CD1-CG2 3.86Å; L239-V249 HydrophobicContact CB-CG1 4.37Å; L239-V249 HydrophobicContact CD2-CG1 4.13Å; K241-V249 HydrophobicContact CG-CG1 4.35Å; K241-V249 HydrophobicContact CG-CG2 4.26Å; V249-S261 VanDerWaalsContact O-CA 3.26Å; V249-S261 WeakPolarHBondContact O-CA 3.44Å; V249-V262 PolarHBondContact N-O 3.39Å; V249-V262 PolarHBondContact O-N 3.21Å
250L97.8Very high96.4Very high0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-95.9135.6160.1175.5144.8000109.2I154 Y188 L239 V240 Y248 H252 G260I154-L250 HydrophobicContact CD1-CB 4.19Å; I154-L250 HydrophobicContact CD1-CD1 4.17Å; I154-L250 HydrophobicContact CG1-CB 4.23Å; I154-L250 HydrophobicContact CG1-CD1 3.86Å; I154-L250 WeakPolarHBondContact O-CD1 3.46Å; Y188-L250 HydrophobicContact CD1-CD2 4.12Å; Y188-L250 HydrophobicContact CE1-CD2 3.72Å; L239-L250 CarbonylContact C-O 3.58Å; L239-L250 VanDerWaalsContact CA-O 3.26Å; L239-L250 WeakPolarHBondContact CA-O 3.39Å; V240-L250 HydrophobicContact CB-CB 4.29Å; V240-L250 HydrophobicContact CB-CD2 4.27Å; V240-L250 HydrophobicContact CG2-CD2 3.99Å; V240-L250 PolarHBondContact N-O 2.93Å; V240-L250 PolarHBondContact O-N 3.28Å; Y248-L250 HydrophobicContact CE1-CB 4.24Å; L250-H252 HydrophobicContact CD2-CB 4.17Å; L250-G260 CarbonylContact C-O 3.51Å; L250-G260 WeakPolarHBondContact CA-O 3.33Å
251Y97Very high96.3Very high8 Ų832.5 Ų32.53%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-108.7147.1163.775.1-87.5000110.2M1 A9 Y12 V13 V238 L253 Y259 G260M1-Y251 HydrophobicContact CE-CD1 3.74Å; M1-Y251 HydrophobicContact CE-CE1 3.53Å; M1-Y251 HydrophobicContact CG-CE1 3.9Å; M1-Y251 HydrophobicContact SD-CE1 4.21Å; A9-Y251 HydrophobicContact CB-CE1 4.04Å; A9-Y251 WeakPolarHBondContact CB-OH 3.43Å; Y12-Y251 AromaticContact CD2-CD2 3.81Å; Y12-Y251 HydrophobicContact CD2-CD2 3.81Å; Y12-Y251 AromaticContact CD2-CE2 3.65Å; Y12-Y251 HydrophobicContact CD2-CE2 3.65Å; Y12-Y251 HydrophobicContact CE2-CE2 4.29Å; Y12-Y251 HydrophobicContact CG-CD2 4.1Å; Y12-Y251 HydrophobicContact CG-CE2 4.4Å; V13-Y251 HydrophobicContact CG1-CD1 3.93Å; V13-Y251 HydrophobicContact CG1-CG 4.43Å; V238-Y251 CarbonylContact O-C 3.57Å; V238-Y251 VanDerWaalsContact O-CA 3.3Å; V238-Y251 WeakPolarHBondContact O-CA 3.13Å; Y251-L253 HydrophobicContact CD2-CD1 3.82Å; Y251-L253 HydrophobicContact CE2-CD1 4.21Å; Y251-Y259 CarbonylContact O-C 3.48Å; Y251-Y259 WeakPolarHBondContact O-CA 3.35Å; Y251-Y259 WeakPolarHBondContact O-CB 3.42Å; Y251-Y259 PolarHBondContact OH-O 3.02Å; Y251-G260 WeakPolarHBondContact CD1-O 3.27Å; Y251-G260 VanDerWaalsContact CE1-CA 3.47Å; Y251-G260 WeakPolarHBondContact CE1-O 3.44Å; Y251-G260 PolarHBondContact N-O 3.12Å; Y251-G260 PolarHBondContact O-N 3.22Å
252H97.1Very high96.3Very high0 Ų030.4 Ų30.40%018%0.178CC..EExtended strand (participates in β ladder)trans-141.9140.317017943.2000109.6P156 L177 V238 L250 P254 T256 K258P156-H252 HydrophobicContact CG-CB 4.44Å; L177-H252 WeakPolarHBondContact CB-NE2 3.14Å; L177-H252 PolarHBondContact N-NE2 2.8Å; V238-H252 PolarHBondContact N-O 2.87Å; V238-H252 PolarHBondContact O-N 2.93Å; L250-H252 HydrophobicContact CD2-CB 4.17Å; H252-P254 WeakPolarHBondContact O-CD 3.36Å; H252-T256 PolarHBondContact CE1-O 3.07Å; H252-T256 VanDerWaalsContact CE1-O 3.29Å; H252-K258 PolarHBondContact ND1-O 3.11Å
253L96.4Very high96.3Very high24 Ų2430.2 Ų30.213%0.12618%0.176CC..  trans-101.3104.3171.8-82.264.5000108.1Y12 V237 Y251 T256 K258Y12-L253 HydrophobicContact CD1-CD1 4.05Å; Y12-L253 HydrophobicContact CD2-CD1 4.11Å; Y12-L253 HydrophobicContact CE1-CD1 4Å; Y12-L253 HydrophobicContact CE1-CD2 3.99Å; Y12-L253 HydrophobicContact CE1-CG 4.42Å; Y12-L253 HydrophobicContact CE2-CD1 4.08Å; Y12-L253 HydrophobicContact CE2-CD2 4.37Å; Y12-L253 HydrophobicContact CG-CD1 4.12Å; V237-L253 HydrophobicContact CG2-CD1 4.22Å; V237-L253 HydrophobicContact CG2-CG 4.37Å; Y251-L253 HydrophobicContact CD2-CD1 3.82Å; Y251-L253 HydrophobicContact CE2-CD1 4.21Å; L253-T256 HydrophobicContact CB-CG2 4.39Å; L253-T256 WeakPolarHBondContact CB-OG1 3.4Å; L253-T256 PolarHBondContact O-N 2.86Å; L253-T256 VanDerWaalsContact O-N 3.1Å; L253-T256 PolarHBondContact O-OG1 3.19Å; L253-K258 HydrophobicContact CB-CB 4.32Å; L253-K258 HydrophobicContact CD2-CB 4.31Å; L253-K258 PolarHBondContact N-O 2.61Å
254P96.2Very high96.3Very high19 Ų1928.4 Ų28.412%0.12317%0.167CC..THydrogen-bonded Turntrans-54143.9-178.3-26.636.1000112.8L177 A182 N236 V238 H252 T256L177-P254 CarbonylContact O-C 3.59Å; L177-P254 VanDerWaalsContact O-CA 3.3Å; L177-P254 WeakPolarHBondContact O-CA 3.32Å; L177-P254 WeakPolarHBondContact O-CB 3.48Å; A182-P254 HydrophobicContact CB-CG 4.09Å; N236-P254 WeakPolarHBondContact O-CD 2.91Å; V238-P254 HydrophobicContact CG2-CG 3.61Å; H252-P254 WeakPolarHBondContact O-CD 3.36Å; P254-T256 PolarHBondContact O-N 3.44Å
255G95.1Very high96.4Very high57 Ų5728.1 Ų28.159%0.58817%0.168SC*.THydrogen-bonded Turntrans66.713.3-175.900000114.7E175 L177E175-G255 CarbonylContact O-C 3.57Å; L177-G255 PolarHBondContact O-N 2.65Å
256T95Very high96.3Very high51 Ų5129.6 Ų29.631%0.31318%0.178SC..SBendtrans-132.9158.4171.378.90000111.3E175 G176 H252 L253 P254 K258E175-T256 CarbonylContact O-C 3.57Å; E175-T256 WeakPolarHBondContact O-CA 3.41Å; E175-T256 PolarHBondContact O-N 2.83Å; G176-T256 WeakPolarHBondContact CA-O 3.37Å; G176-T256 PolarHBondContact N-O 3.22Å; H252-T256 PolarHBondContact CE1-O 3.07Å; H252-T256 VanDerWaalsContact CE1-O 3.29Å; L253-T256 HydrophobicContact CB-CG2 4.39Å; L253-T256 WeakPolarHBondContact CB-OG1 3.4Å; L253-T256 PolarHBondContact O-N 2.86Å; L253-T256 VanDerWaalsContact O-N 3.1Å; L253-T256 PolarHBondContact O-OG1 3.19Å; P254-T256 PolarHBondContact O-N 3.44Å; T256-K258 PolarHBondContact O-N 3.17Å; T256-K258 VanDerWaalsContact O-N 3.13Å; T256-K258 PolarHBondContact OG1-N 3.48Å
257N93.9Very high96.3Very high97 Ų9724.8 Ų24.852%0.51915%0.154SC..SBendtrans-74.85174.273-10.7000114.1F174 Y259F174-N257 HydrophobicContact CD1-CB 4.29Å; F174-N257 WeakPolarHBondContact O-CB 3.47Å; N257-Y259 WeakPolarHBondContact O-CD1 3.49Å
258K94.8Very high96.2Very high82 Ų8227.8 Ų27.836%0.35716%0.163SC..  trans-85.9120-176.5-61.9-63.6-171.4179.20110.4D5 H252 L253 T256D5-K258 IonicContact OD1-NZ 3.93Å; D5-K258 IonicContact OD2-NZ 2.9Å; D5-K258 PolarHBondContact OD2-NZ 2.96Å; H252-K258 PolarHBondContact ND1-O 3.11Å; L253-K258 HydrophobicContact CB-CB 4.32Å; L253-K258 HydrophobicContact CD2-CB 4.31Å; L253-K258 PolarHBondContact N-O 2.61Å; T256-K258 PolarHBondContact O-N 3.17Å; T256-K258 VanDerWaalsContact O-N 3.13Å; T256-K258 PolarHBondContact OG1-N 3.48Å
259Y95.8Very high96Very high52 Ų5231.9 Ų31.920%0.20418%0.179CC..EExtended strand (participates in β ladder)trans-153.9167.1170.567-83.6000109.1V155 P156 A159 F174 Y251 N257V155-Y259 HydrophobicContact CB-CE2 4.33Å; V155-Y259 HydrophobicContact CG1-CE2 3.87Å; P156-Y259 HydrophobicContact CG-CD1 4.25Å; P156-Y259 HydrophobicContact CG-CD2 4.11Å; P156-Y259 HydrophobicContact CG-CG 3.81Å; A159-Y259 HydrophobicContact CB-CE1 3.81Å; A159-Y259 HydrophobicContact CB-CE2 4.27Å; F174-Y259 HydrophobicContact CD1-CD1 4.34Å; F174-Y259 HydrophobicContact CD1-CE1 4.11Å; F174-Y259 AromaticContact CE1-CD1 3.81Å; F174-Y259 HydrophobicContact CE1-CD1 3.81Å; F174-Y259 AromaticContact CE1-CE1 3.98Å; F174-Y259 HydrophobicContact CE1-CE1 3.98Å; Y251-Y259 CarbonylContact O-C 3.48Å; Y251-Y259 WeakPolarHBondContact O-CA 3.35Å; Y251-Y259 WeakPolarHBondContact O-CB 3.42Å; Y251-Y259 PolarHBondContact OH-O 3.02Å; N257-Y259 WeakPolarHBondContact O-CD1 3.49Å
260G95.9Very high95.8Very high7 Ų732.6 Ų32.67%0.07218%0.183CC..EExtended strand (participates in β ladder)trans179.3163.2172.600000110.5L250 Y251L250-G260 CarbonylContact C-O 3.51Å; L250-G260 WeakPolarHBondContact CA-O 3.33Å; Y251-G260 WeakPolarHBondContact CD1-O 3.27Å; Y251-G260 VanDerWaalsContact CE1-CA 3.47Å; Y251-G260 WeakPolarHBondContact CE1-O 3.44Å; Y251-G260 PolarHBondContact N-O 3.12Å; Y251-G260 PolarHBondContact O-N 3.22Å
261S96.6Very high95.5Very high24 Ų2438.2 Ų38.217%0.16821%0.212CC..EExtended strand (participates in β ladder)trans-129.2157.317652.40000111.1M1 Y248 V249M1-S261 WeakPolarHBondContact CG-O 3.16Å; M1-S261 PolarHBondContact N-O 3.05Å; Y248-S261 WeakPolarHBondContact OH-CB 3.45Å; Y248-S261 PolarHBondContact OH-OG 3.38Å; V249-S261 VanDerWaalsContact O-CA 3.26Å; V249-S261 WeakPolarHBondContact O-CA 3.44Å
262V97.1Very high95.3Very high1 Ų142.3 Ų42.31%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-149.1144.2175.3670000109.2M1 V13 I18 F46 W47 V249 V264M1-V262 HydrophobicContact CE-CB 3.87Å; M1-V262 HydrophobicContact CE-CG1 3.61Å; M1-V262 HydrophobicContact SD-CB 4.39Å; V13-V262 HydrophobicContact CG1-CG1 4.37Å; V13-V262 HydrophobicContact CG2-CG1 4.08Å; I18-V262 HydrophobicContact CD1-CG1 3.91Å; I18-V262 HydrophobicContact CG2-CG1 4.25Å; F46-V262 HydrophobicContact CD1-CG2 4.23Å; F46-V262 HydrophobicContact CE1-CG2 4.12Å; W47-V262 WeakPolarHBondContact O-CA 3.43Å; V249-V262 PolarHBondContact N-O 3.39Å; V249-V262 PolarHBondContact O-N 3.21Å; V262-V264 HydrophobicContact CG2-CG2 4.11Å
263Y97.7Very high95.2Very high2 Ų242.4 Ų42.41%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-107.6128.1167.3-179.7-91.9000110W47 G48 I49 I50 I148 W245 I246 G267W47-Y263 AromaticContact CH2-CD1 3.79Å; W47-Y263 HydrophobicContact CH2-CD1 3.79Å; W47-Y263 AromaticContact CH2-CG 3.87Å; W47-Y263 HydrophobicContact CH2-CG 3.87Å; W47-Y263 AromaticContact CZ3-CD1 3.72Å; W47-Y263 HydrophobicContact CZ3-CD1 3.72Å; W47-Y263 HydrophobicContact CZ3-CG 4.03Å; W47-Y263 PolarHBondContact O-N 3.07Å; W47-Y263 VanDerWaalsContact O-N 3.08Å; G48-Y263 CarbonylContact C-O 3.58Å; G48-Y263 WeakPolarHBondContact CA-O 3.26Å; I49-Y263 PolarHBondContact N-O 3.24Å; I50-Y263 HydrophobicContact CD1-CD1 3.61Å; I50-Y263 HydrophobicContact CD1-CE1 3.48Å; I50-Y263 VanDerWaalsContact CD1-CE1 3.48Å; I148-Y263 HydrophobicContact CD1-CD1 4.21Å; I148-Y263 HydrophobicContact CD1-CD2 4.34Å; I148-Y263 HydrophobicContact CD1-CE1 3.94Å; I148-Y263 HydrophobicContact CD1-CE2 4.1Å; I148-Y263 HydrophobicContact CD1-CG 4.4Å; I148-Y263 HydrophobicContact CG2-CD2 4.02Å; I148-Y263 HydrophobicContact CG2-CG 4.28Å; W245-Y263 HydrophobicContact CB-CE2 4.23Å; I246-Y263 PolarHBondContact O-OH 3.36Å; Y263-G267 WeakPolarHBondContact OH-CA 3.43Å; Y263-G267 PolarHBondContact OH-N 3.27Å
264V97.3Very high94.9Very high16 Ų1644.4 Ų44.410%0.09725%0.249CC..EExtended strand (participates in β ladder)trans-134.2105.9169178.20000109.3I18 I49 G247 V262I18-V264 HydrophobicContact CD1-CB 4.17Å; I18-V264 HydrophobicContact CD1-CG2 4.23Å; I18-V264 HydrophobicContact CG1-CB 4.08Å; I18-V264 HydrophobicContact CG1-CG2 4.22Å; I18-V264 HydrophobicContact CG2-CB 4.43Å; I18-V264 HydrophobicContact CG2-CG2 3.68Å; I49-V264 HydrophobicContact CB-CG1 4.27Å; I49-V264 HydrophobicContact CB-CG2 4.19Å; I49-V264 HydrophobicContact CD1-CG2 4.27Å; I49-V264 HydrophobicContact CG1-CG2 4.2Å; I49-V264 WeakPolarHBondContact O-CA 3.25Å; G247-V264 WeakPolarHBondContact CA-O 3.49Å; G247-V264 PolarHBondContact O-N 2.78Å; V262-V264 HydrophobicContact CG2-CG2 4.11Å
265G96.6Very high94.7Very high11 Ų1151.8 Ų51.811%0.11328%0.28CS..EExtended strand (participates in β ladder)trans-175.8-171.8-174.300000112.5I49 I50 R51I49-G265 PolarHBondContact O-N 2.96Å; I50-G265 CarbonylContact C-O 3.54Å; I50-G265 WeakPolarHBondContact CA-O 3.32Å; R51-G265 PolarHBondContact N-O 3.27Å
266T95.6Very high94.5Very high32 Ų3255.3 Ų55.320%0.19628%0.282CS..  trans-86.1-7.3-177.647.10000113.8R51 E268R51-T266 HydrophobicContact CB-CG2 4.45Å; T266-E268 VanDerWaalsContact C-N 3.32Å; T266-E268 WeakPolarHBondContact CB-OE2 3.41Å; T266-E268 PolarHBondContact OG1-OE2 2.91Å
267G95.1Very high94.1Very high6 Ų659 Ų596%0.06230%0.299CS..  trans75.620.3-173.400000113.7W245 Y263W245-G267 WeakPolarHBondContact CZ3-O 2.98Å; Y263-G267 WeakPolarHBondContact OH-CA 3.43Å; Y263-G267 PolarHBondContact OH-N 3.27Å
268E93.2Very high94.1Very high82 Ų8257.2 Ų57.238%0.38329%0.288SS..  trans-90.5133177.7-69164.3156.700110.4R102 T266R102-E268 WeakPolarHBondContact CG-OE1 3.47Å; R102-E268 IonicContact NE-OE1 2.69Å; T266-E268 VanDerWaalsContact C-N 3.32Å; T266-E268 WeakPolarHBondContact CB-OE2 3.41Å; T266-E268 PolarHBondContact OG1-OE2 2.91Å
269Y93.6Very high94Very high92 Ų9255.8 Ų55.836%0.36128%0.284SS..  trans-83129.2174.7178.4-96.7000110.1E151 L244 W245 I271E151-Y269 VanDerWaalsContact OE2-CE2 3.29Å; E151-Y269 WeakPolarHBondContact OE2-CE2 3.47Å; L244-Y269 HydrophobicContact CB-CE2 4.15Å; L244-Y269 HydrophobicContact CD1-CE2 4.5Å; L244-Y269 HydrophobicContact CD2-CE2 4.03Å; L244-Y269 HydrophobicContact CG-CE2 4.46Å; W245-Y269 HydrophobicContact CD2-CD2 4.3Å; W245-Y269 AromaticContact CE2-CD2 3.65Å; W245-Y269 AromaticContact CZ2-CD2 3.78Å; W245-Y269 HydrophobicContact CZ2-CD2 3.78Å; W245-Y269 HydrophobicContact CZ2-CG 4.47Å; W245-Y269 AromaticContact NE1-CD2 3.63Å; W245-Y269 AromaticContact NE1-CE2 3.99Å; Y269-I271 HydrophobicContact CD1-CB 4.22Å; Y269-I271 HydrophobicContact CE1-CB 4.39Å; Y269-I271 PolarHBondContact O-N 3.24Å
270N94.5Very high93.9Very high22 Ų2256.1 Ų56.112%0.11829%0.289CS..  trans-80.382.5179.7-174.213.8000111.2L243 L244 I246 D272 L273L243-N270 WeakPolarHBondContact O-CB 3.43Å; L243-N270 PolarHBondContact O-ND2 3Å; L244-N270 VanDerWaalsContact O-CB 3.26Å; L244-N270 WeakPolarHBondContact O-CB 3.5Å; L244-N270 PolarHBondContact O-N 2.88Å; I246-N270 HydrophobicContact CD1-CB 4.41Å; N270-D272 PolarHBondContact O-N 2.79Å; N270-D272 PolarHBondContact OD1-N 2.83Å; N270-L273 PolarHBondContact O-N 2.63Å; N270-L273 PolarHBondContact OD1-N 2.98Å
271I91.9Very high93.8Very high117 Ų11758.9 Ų58.960%0.630%0.302SS*.THydrogen-bonded Turntrans-64.9-23.6176.5-166.3166.6000112.8Y269 L273 P274Y269-I271 HydrophobicContact CD1-CB 4.22Å; Y269-I271 HydrophobicContact CE1-CB 4.39Å; Y269-I271 PolarHBondContact O-N 3.24Å; I271-L273 VanDerWaalsContact C-N 3.31Å; I271-L273 PolarHBondContact O-N 3.26Å; I271-P274 WeakPolarHBondContact O-CD 3.5Å
272D92.9Very high93.7Very high94 Ų9461.1 Ų61.150%0.50331%0.31SS..THydrogen-bonded Turntrans-86.9-1.5-175.4-61.1-42.6000112.9N270 P274 F275 M276N270-D272 PolarHBondContact O-N 2.79Å; N270-D272 PolarHBondContact OD1-N 2.83Å; D272-P274 VanDerWaalsContact C-N 3.32Å; D272-F275 HydrophobicContact CB-CD2 4.47Å; D272-F275 WeakPolarHBondContact O-CB 3.15Å; D272-F275 PolarHBondContact O-N 2.95Å; D272-M276 PolarHBondContact O-N 2.78Å
273L93Very high93.4Very high3 Ų365.1 Ų65.12%0.01633%0.33CS..Hα-helixtrans-49.8-43.8-178.9-178.164.2000113.8P223 C226 L243 L244 N270 I271 F275 M276 I277P223-L273 HydrophobicContact CG-CD2 3.86Å; P223-L273 HydrophobicContact CG-CG 4.25Å; C226-L273 HydrophobicContact CB-CD2 3.74Å; L243-L273 HydrophobicContact CB-CD1 3.55Å; L243-L273 HydrophobicContact CB-CD2 3.87Å; L243-L273 HydrophobicContact CB-CG 4.39Å; L243-L273 HydrophobicContact CD1-CD1 4.13Å; L244-L273 HydrophobicContact CD2-CB 4.08Å; L244-L273 HydrophobicContact CD2-CD2 3.46Å; L244-L273 VanDerWaalsContact CD2-CD2 3.46Å; L244-L273 HydrophobicContact CD2-CG 4.41Å; L244-L273 HydrophobicContact CG-CD2 3.61Å; N270-L273 PolarHBondContact O-N 2.63Å; N270-L273 PolarHBondContact OD1-N 2.98Å; I271-L273 VanDerWaalsContact C-N 3.31Å; I271-L273 PolarHBondContact O-N 3.26Å; L273-F275 PolarHBondContact O-N 3.39Å; L273-F275 VanDerWaalsContact O-N 3.08Å; L273-M276 PolarHBondContact O-N 2.71Å; L273-I277 HydrophobicContact CD1-CG2 3.81Å; L273-I277 HydrophobicContact CG-CG2 4.32Å; L273-I277 PolarHBondContact O-N 2.75Å
274P91.3Very high93.1Very high65 Ų6569.6 Ų69.642%0.42235%0.353SS..Hα-helixtrans-60.2-19.7178.5-24.335.9000114.7P223 I271 D272P223-P274 HydrophobicContact CG-CG 4.41Å; I271-P274 WeakPolarHBondContact O-CD 3.5Å; D272-P274 VanDerWaalsContact C-N 3.32Å
275F92.4Very high92.8Very high175 Ų17573.8 Ų73.877%0.76837%0.373SS*.Hα-helixtrans-94.2-8.5175.8-52.6-71.2000113D272 L273D272-F275 HydrophobicContact CB-CD2 4.47Å; D272-F275 WeakPolarHBondContact O-CB 3.15Å; D272-F275 PolarHBondContact O-N 2.95Å; L273-F275 PolarHBondContact O-N 3.39Å; L273-F275 VanDerWaalsContact O-N 3.08Å
276M90.6Very high92.5Very high131 Ų13179 Ų7965%0.64540%0.395SS*.Hα-helixtrans-97.9-18.7-179-63.6177.167.100113.4D272 L273D272-M276 PolarHBondContact O-N 2.78Å; L273-M276 PolarHBondContact O-N 2.71Å
277I85.6Confident92.2Very high129 Ų12983.3 Ų83.366%0.66241%0.413SS*.  trans-98.40-177.961.2176.9000112.9P223 E224 L273P223-I277 HydrophobicContact CB-CD1 4Å; P223-I277 HydrophobicContact CG-CD1 4.25Å; E224-I277 WeakPolarHBondContact O-CD1 3.37Å; L273-I277 HydrophobicContact CD1-CG2 3.81Å; L273-I277 HydrophobicContact CG-CG2 4.32Å; L273-I277 PolarHBondContact O-N 2.75Å

Retrieved 277 of 277 residues in 92 ms (Link to these results)

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