Q15ES3_SCHMA Loading...

U2 snRNP auxiliary factor small subunit-like protein

AlphaFold DB , UniProt , Accession Q15ES3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 221 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
1M62.5Low71.5Confident193 Ų19393.2 Ų93.295%0.95151%0.505SS*.  0-47.10-157.8148.8-170.800112E3 Y4 L5M1-E3 PolarHBondContact O-N 3.15Å; M1-Y4 PolarHBondContact O-N 3.48Å; M1-L5 HydrophobicContact CG-CD1 4.36Å; M1-L5 WeakPolarHBondContact O-CG 3.36Å; M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 VanDerWaalsContact O-N 3.13Å
2A69.8Low72Confident80 Ų8096.8 Ų96.866%0.66152%0.516SS*.Hα-helixtrans-58.5-44.4177.600000114.3Y4 L5 A6A2-Y4 PolarHBondContact O-N 3.28Å; A2-L5 PolarHBondContact O-N 3.19Å; A2-A6 WeakPolarHBondContact O-CB 3.33Å; A2-A6 PolarHBondContact O-N 3.39Å
3E73.4Confident72.7Confident174 Ų174101.9 Ų101.981%0.81353%0.531SS*.Hα-helixtrans-62-41.5179-67.2177.9165.500112.9M1 A6 S7M1-E3 PolarHBondContact O-N 3.15Å; E3-A6 PolarHBondContact O-N 3.3Å; E3-S7 PolarHBondContact O-N 3.44Å
4Y72.5Confident73.4Confident159 Ų15995.6 Ų95.662%0.62450%0.498SS*.Hα-helixtrans-64.2-43.8176.2-176.6-108.9000111.3M1 A2 S7 I8M1-Y4 PolarHBondContact O-N 3.48Å; A2-Y4 PolarHBondContact O-N 3.28Å; Y4-S7 PolarHBondContact O-N 3.46Å; Y4-S7 PolarHBondContact O-OG 3.35Å; Y4-I8 HydrophobicContact CD1-CD1 3.66Å; Y4-I8 HydrophobicContact CD2-CD1 4.37Å; Y4-I8 HydrophobicContact CE1-CD1 3.22Å; Y4-I8 HydrophobicContact CE2-CD1 4Å; Y4-I8 HydrophobicContact CG-CD1 4.22Å; Y4-I8 VanDerWaalsContact CZ-CD1 3.41Å; Y4-I8 WeakPolarHBondContact O-CG1 3.18Å; Y4-I8 PolarHBondContact O-N 2.71Å
5L68.5Low74.2Confident101 Ų101101.5 Ų101.553%0.52952%0.518SS..Hα-helixtrans-64.3-41.9176.6-68174.3000112M1 A2 S7 I8 F9M1-L5 HydrophobicContact CG-CD1 4.36Å; M1-L5 WeakPolarHBondContact O-CG 3.36Å; M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 VanDerWaalsContact O-N 3.13Å; A2-L5 PolarHBondContact O-N 3.19Å; L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 3.32Å; L5-I8 PolarHBondContact O-N 3.11Å; L5-I8 VanDerWaalsContact O-N 3.11Å; L5-F9 PolarHBondContact O-N 2.78Å
6A70.4Confident75.2Confident75 Ų75100.5 Ų100.562%0.6252%0.518SS*.Hα-helixtrans-62.4-34.6175.500000112.3A2 E3 I8A2-A6 WeakPolarHBondContact O-CB 3.33Å; A2-A6 PolarHBondContact O-N 3.39Å; E3-A6 PolarHBondContact O-N 3.3Å; A6-I8 VanDerWaalsContact C-N 3.27Å; A6-I8 PolarHBondContact O-N 3.33Å
7S74.3Confident76.2Confident72 Ų7295.8 Ų95.850%0.50349%0.494SS..Hα-helixtrans-72-19.917677.60000114.1E3 Y4 L5 T11E3-S7 PolarHBondContact O-N 3.44Å; Y4-S7 PolarHBondContact O-N 3.46Å; Y4-S7 PolarHBondContact O-OG 3.35Å; L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 3.32Å; S7-T11 WeakPolarHBondContact O-CG2 3.13Å
8I75.1Confident77.2Confident24 Ų2490.8 Ų90.812%0.12347%0.469CS..Hα-helixtrans-93.6-37.4-179.6-70.6170.7000110.8Y4 L5 A6 G10 T11 K13 D14Y4-I8 HydrophobicContact CD1-CD1 3.66Å; Y4-I8 HydrophobicContact CD2-CD1 4.37Å; Y4-I8 HydrophobicContact CE1-CD1 3.22Å; Y4-I8 HydrophobicContact CE2-CD1 4Å; Y4-I8 HydrophobicContact CG-CD1 4.22Å; Y4-I8 VanDerWaalsContact CZ-CD1 3.41Å; Y4-I8 WeakPolarHBondContact O-CG1 3.18Å; Y4-I8 PolarHBondContact O-N 2.71Å; L5-I8 PolarHBondContact O-N 3.11Å; L5-I8 VanDerWaalsContact O-N 3.11Å; A6-I8 VanDerWaalsContact C-N 3.27Å; A6-I8 PolarHBondContact O-N 3.33Å; I8-G10 PolarHBondContact O-N 3.36Å; I8-T11 WeakPolarHBondContact O-CB 3.33Å; I8-T11 PolarHBondContact O-N 2.97Å; I8-T11 PolarHBondContact O-OG1 2.97Å; I8-K13 HydrophobicContact CG1-CB 4.4Å; I8-K13 HydrophobicContact CG2-CB 4.15Å; I8-D14 HydrophobicContact CG2-CB 3.85Å
9F73Confident78Confident103 Ų10386.3 Ų86.345%0.45245%0.446SS..THydrogen-bonded Turntrans-53.9128.5-173.9-170-101.7000111.9L5 T11 N17 F22L5-F9 PolarHBondContact O-N 2.78Å; F9-T11 PolarHBondContact O-N 3.47Å; F9-N17 WeakPolarHBondContact CE2-ND2 3.1Å; F9-F22 HydrophobicContact CD1-CE2 4.24Å; F9-F22 HydrophobicContact CD1-CZ 4.13Å; F9-F22 HydrophobicContact CE1-CD2 4.18Å; F9-F22 AromaticContact CE1-CE2 3.49Å; F9-F22 HydrophobicContact CE1-CE2 3.49Å; F9-F22 VanDerWaalsContact CE1-CE2 3.49Å; F9-F22 AromaticContact CE1-CZ 3.8Å; F9-F22 HydrophobicContact CE1-CZ 3.8Å; F9-F22 HydrophobicContact CZ-CE2 4.21Å
10G69.1Low78.7Confident2 Ų285.2 Ų85.22%0.02144%0.438CS..THydrogen-bonded Turntrans74.8-0.4-178.400000115.3I8 K23I8-G10 PolarHBondContact O-N 3.36Å; G10-K23 WeakPolarHBondContact O-CE 3.46Å
11T77.5Confident79.4Confident42 Ų4281.7 Ų81.726%0.25842%0.419SS..SBendtrans-96.8167174.377.80000111.4S7 I8 F9 K13 D14S7-T11 WeakPolarHBondContact O-CG2 3.13Å; I8-T11 WeakPolarHBondContact O-CB 3.33Å; I8-T11 PolarHBondContact O-N 2.97Å; I8-T11 PolarHBondContact O-OG1 2.97Å; F9-T11 PolarHBondContact O-N 3.47Å; T11-K13 PolarHBondContact O-N 3.13Å; T11-K13 VanDerWaalsContact O-N 3.14Å; T11-K13 PolarHBondContact OG1-N 3.22Å; T11-D14 VanDerWaalsContact O-CB 3.27Å; T11-D14 WeakPolarHBondContact O-CB 3.3Å; T11-D14 PolarHBondContact O-N 3.05Å
12E78.2Confident80.9Confident136 Ų13676 Ų7664%0.63639%0.39SS*.THydrogen-bonded Turntrans-64-17.4176.3-61.5178.1-171.600113.5
13K80.4Confident82Confident164 Ų16475.4 Ų75.471%0.71337%0.372SS*.THydrogen-bonded Turntrans-73.1-19.4174.2-61.3-178.9-179.4176.80111.9I8 T11 K15I8-K13 HydrophobicContact CG1-CB 4.4Å; I8-K13 HydrophobicContact CG2-CB 4.15Å; T11-K13 PolarHBondContact O-N 3.13Å; T11-K13 VanDerWaalsContact O-N 3.14Å; T11-K13 PolarHBondContact OG1-N 3.22Å; K13-K15 PolarHBondContact O-N 2.89Å
14D83.5Confident83Confident13 Ų1367.1 Ų67.17%0.0733%0.333CS..  trans-71.3109.4172.1-164.5-22000109I8 T11 V16 N17 R35I8-D14 HydrophobicContact CG2-CB 3.85Å; T11-D14 VanDerWaalsContact O-CB 3.27Å; T11-D14 WeakPolarHBondContact O-CB 3.3Å; T11-D14 PolarHBondContact O-N 3.05Å; D14-V16 VanDerWaalsContact C-N 3.33Å; D14-V16 WeakPolarHBondContact OD1-CA 3.34Å; D14-V16 WeakPolarHBondContact OD1-CB 3.37Å; D14-V16 PolarHBondContact OD1-N 2.82Å; D14-N17 PolarHBondContact OD1-N 3.26Å; D14-N17 WeakPolarHBondContact OD2-CB 3.13Å; D14-N17 PolarHBondContact OD2-ND2 3.46Å; D14-R35 PolarHBondContact O-NH1 3.05Å
15K84.9Confident84Confident185 Ų18559.6 Ų59.680%0.80430%0.304SS*.SBendtrans-84.6-11.3178.5-64.4-172.6179.9-176.80112.5K13K13-K15 PolarHBondContact O-N 2.89Å
16V90.4Very high85.3Confident85 Ų8555.3 Ų55.352%0.51528%0.283SS..SBendtrans-95.3-50.8-177.7179.20000110D14 L36D14-V16 VanDerWaalsContact C-N 3.33Å; D14-V16 WeakPolarHBondContact OD1-CA 3.34Å; D14-V16 WeakPolarHBondContact OD1-CB 3.37Å; D14-V16 PolarHBondContact OD1-N 2.82Å; V16-L36 HydrophobicContact CG1-CD1 3.73Å; V16-L36 HydrophobicContact CG1-CG 4.3Å; V16-L36 PolarHBondContact O-N 3.4Å
17N91.4Very high86.5Confident20 Ų2052.2 Ų52.211%0.10726%0.256CS..BIsolated β-bridgetrans-93.7145.5-176.6-55.5-60.4000112F9 D14 S19 R35 N38F9-N17 WeakPolarHBondContact CE2-ND2 3.1Å; D14-N17 PolarHBondContact OD1-N 3.26Å; D14-N17 WeakPolarHBondContact OD2-CB 3.13Å; D14-N17 PolarHBondContact OD2-ND2 3.46Å; N17-S19 PolarHBondContact O-N 3.39Å; N17-R35 WeakPolarHBondContact O-CD 3.41Å; N17-N38 PolarHBondContact OD1-ND2 3.23Å
18C94.1Very high87.4Confident6 Ų656 Ų564%0.04126%0.26CS..  trans-74.2111.4174.7-1740000110F20 Y21 F22 R35 L36 H37C18-F20 VanDerWaalsContact C-N 3.25Å; C18-F20 PolarHBondContact O-N 2.86Å; C18-Y21 PolarHBondContact O-N 3.28Å; C18-F22 WeakPolarHBondContact O-CB 3.33Å; C18-F22 PolarHBondContact O-N 3.34Å; C18-R35 HydrophobicContact CB-CB 3.84Å; C18-L36 WeakPolarHBondContact CB-O 3.43Å; C18-L36 PolarHBondContact N-O 2.92Å; C18-H37 WeakPolarHBondContact CB-CD2 3.41Å; C18-H37 WeakPolarHBondContact CB-NE2 3.3Å; C18-H37 PolarHBondContact SG-NE2 3.05Å
19S92.3Very high88.4Confident5 Ų558.9 Ų58.94%0.03527%0.273CS..Hα-helixtrans-60-35.3177.555.50000112.6N17 K23N17-S19 PolarHBondContact O-N 3.39Å; S19-K23 WeakPolarHBondContact O-CB 3.48Å; S19-K23 WeakPolarHBondContact O-CG 3.42Å; S19-K23 PolarHBondContact O-N 3.33Å; S19-K23 VanDerWaalsContact O-N 3.08Å
20F92.8Very high89.3Confident65 Ų6555.5 Ų55.529%0.28527%0.267SS..Hα-helixtrans-69.4-48.2178.2-74.8-73.3000111.9C18 F22 K23 I24 A26 N170 F171C18-F20 VanDerWaalsContact C-N 3.25Å; C18-F20 PolarHBondContact O-N 2.86Å; F20-F22 VanDerWaalsContact C-N 3.29Å; F20-F22 PolarHBondContact O-N 3.04Å; F20-K23 PolarHBondContact O-N 3.14Å; F20-I24 HydrophobicContact CD1-CD1 3.71Å; F20-I24 HydrophobicContact CE1-CD1 4.41Å; F20-I24 WeakPolarHBondContact O-CA 3.29Å; F20-I24 VanDerWaalsContact O-CB 3.23Å; F20-I24 WeakPolarHBondContact O-CB 3.49Å; F20-I24 WeakPolarHBondContact O-CG1 3.21Å; F20-I24 PolarHBondContact O-N 3.04Å; F20-A26 CarbonylContact C-O 3.5Å; F20-N170 HydrophobicContact CD1-CB 3.88Å; F20-N170 HydrophobicContact CE1-CB 3.68Å; F20-N170 HydrophobicContact CZ-CB 4.35Å; F20-F171 HydrophobicContact CE1-CE2 4.34Å; F20-F171 HydrophobicContact CE1-CZ 4.41Å
21Y94.4Very high90.4Very high12 Ų1263.3 Ų63.35%0.04730%0.303CS..Hα-helixtrans-60.2-42.5176.8-175.4-98000111.2C18 K23 G25 H37 K39 P146C18-Y21 PolarHBondContact O-N 3.28Å; Y21-K23 PolarHBondContact O-N 3.1Å; Y21-G25 WeakPolarHBondContact CE2-O 3.15Å; Y21-G25 WeakPolarHBondContact O-CA 3.04Å; Y21-G25 PolarHBondContact O-N 2.88Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.37Å; Y21-H37 HydrophobicContact CD1-CB 3.72Å; Y21-H37 HydrophobicContact CD2-CB 4.11Å; Y21-H37 AromaticContact CD2-CG 3.88Å; Y21-H37 HydrophobicContact CE1-CB 3.98Å; Y21-H37 HydrophobicContact CE2-CB 4.37Å; Y21-H37 HydrophobicContact CG-CB 3.79Å; Y21-H37 AromaticContact CG-CD2 3.7Å; Y21-H37 AromaticContact CG-CG 3.65Å; Y21-K39 WeakPolarHBondContact OH-CG 2.92Å; Y21-P146 HydrophobicContact CD1-CG 4.18Å; Y21-P146 HydrophobicContact CE1-CG 3.88Å; Y21-P146 WeakPolarHBondContact O-CG 3.33Å
22F92.6Very high91.2Very high74 Ų7470 Ų7033%0.32533%0.331SS..Hα-helixtrans-62.1-45.7179-175-100.8000113F9 C18 F20F9-F22 HydrophobicContact CD1-CE2 4.24Å; F9-F22 HydrophobicContact CD1-CZ 4.13Å; F9-F22 HydrophobicContact CE1-CD2 4.18Å; F9-F22 AromaticContact CE1-CE2 3.49Å; F9-F22 HydrophobicContact CE1-CE2 3.49Å; F9-F22 VanDerWaalsContact CE1-CE2 3.49Å; F9-F22 AromaticContact CE1-CZ 3.8Å; F9-F22 HydrophobicContact CE1-CZ 3.8Å; F9-F22 HydrophobicContact CZ-CE2 4.21Å; C18-F22 WeakPolarHBondContact O-CB 3.33Å; C18-F22 PolarHBondContact O-N 3.34Å; F20-F22 VanDerWaalsContact C-N 3.29Å; F20-F22 PolarHBondContact O-N 3.04Å
23K92.7Very high91.9Very high66 Ų6664.6 Ų64.629%0.28731%0.308SS..Hα-helixtrans-80.6-32.3-176-68.8-176.1-177-167.50114G10 S19 F20 Y21 A153G10-K23 WeakPolarHBondContact O-CE 3.46Å; S19-K23 WeakPolarHBondContact O-CB 3.48Å; S19-K23 WeakPolarHBondContact O-CG 3.42Å; S19-K23 PolarHBondContact O-N 3.33Å; S19-K23 VanDerWaalsContact O-N 3.08Å; F20-K23 PolarHBondContact O-N 3.14Å; Y21-K23 PolarHBondContact O-N 3.1Å; K23-A153 WeakPolarHBondContact O-CB 3.16Å
24I94.2Very high92.6Very high1 Ų162.6 Ų62.61%0.00532%0.315CS..Hα-helixtrans-116.9-14.9-165.4-46.2-173.6000111F20 A26 L109 Y114 V147 A153 N170 F171 M172F20-I24 HydrophobicContact CD1-CD1 3.71Å; F20-I24 HydrophobicContact CE1-CD1 4.41Å; F20-I24 WeakPolarHBondContact O-CA 3.29Å; F20-I24 VanDerWaalsContact O-CB 3.23Å; F20-I24 WeakPolarHBondContact O-CB 3.49Å; F20-I24 WeakPolarHBondContact O-CG1 3.21Å; F20-I24 PolarHBondContact O-N 3.04Å; I24-A26 PolarHBondContact O-N 3.34Å; I24-L109 HydrophobicContact CG2-CD2 3.81Å; I24-Y114 VanDerWaalsContact O-CE1 3.31Å; I24-Y114 WeakPolarHBondContact O-CE1 2.96Å; I24-Y114 VanDerWaalsContact O-CZ 3.32Å; I24-Y114 PolarHBondContact O-OH 2.93Å; I24-V147 WeakPolarHBondContact O-CG2 3.35Å; I24-A153 HydrophobicContact CG1-CB 4.36Å; I24-N170 WeakPolarHBondContact CD1-O 3.46Å; I24-F171 HydrophobicContact CD1-CD1 4.1Å; I24-F171 HydrophobicContact CD1-CE1 4.49Å; I24-F171 HydrophobicContact CD1-CG 4.47Å; I24-M172 HydrophobicContact CB-CE 4.47Å; I24-M172 HydrophobicContact CG2-CE 3.73Å; I24-M172 HydrophobicContact CG2-CG 3.85Å; I24-M172 WeakPolarHBondContact O-CE 3.37Å
25G94.5Very high93.1Very high1 Ų166.1 Ų66.11%0.0133%0.327CS..SBendtrans70.94.9-174.900000113.5Y21 V147Y21-G25 WeakPolarHBondContact CE2-O 3.15Å; Y21-G25 WeakPolarHBondContact O-CA 3.04Å; Y21-G25 PolarHBondContact O-N 2.88Å; G25-V147 VanDerWaalsContact N-CG2 3.35Å
26A95Very high93.5Very high10 Ų1062 Ų628%0.08331%0.313CS..  trans-142.7149.2-179.500000110.6F20 I24 H108 L109F20-A26 CarbonylContact C-O 3.5Å; I24-A26 PolarHBondContact O-N 3.34Å; A26-H108 VanDerWaalsContact CB-O 3.29Å; A26-H108 WeakPolarHBondContact CB-O 3.39Å; A26-L109 HydrophobicContact CB-CD2 3.73Å; A26-L109 HydrophobicContact CB-CG 4.36Å
27C95.4Very high93.7Very high10 Ų1059.7 Ų59.77%0.06830%0.297CS..  trans-138.2132.7178.3177.20000109.1H29 G30 H37C27-H29 PolarHBondContact O-N 3.36Å; C27-G30 PolarHBondContact O-N 2.81Å; C27-H37 WeakPolarHBondContact CB-CE1 3.22Å; C27-H37 VanDerWaalsContact CB-NE2 3.32Å; C27-H37 WeakPolarHBondContact CB-NE2 3.44Å; C27-H37 PolarHBondContact SG-NE2 2.61Å; C27-H37 VanDerWaalsContact SG-NE2 3.43Å
28R95Very high93.7Very high152 Ų15262.7 Ų62.757%0.57431%0.313SS*.THydrogen-bonded Turntrans-57.6-21.8178.772.4-179.2-172.1-167.1-1.6114.7N170R28-N170 WeakPolarHBondContact CD-OD1 3.43Å
29H94.7Very high93.6Very high85 Ų8568 Ų6839%0.39434%0.335SS..THydrogen-bonded Turntrans-92.5-7.1178.8-49119.7000112.6C27 E31 Q32 C33C27-H29 PolarHBondContact O-N 3.36Å; H29-E31 PolarHBondContact O-N 2.69Å; H29-Q32 WeakPolarHBondContact O-CA 3.45Å; H29-Q32 WeakPolarHBondContact O-CB 3.47Å; H29-Q32 PolarHBondContact O-N 3.46Å; H29-C33 HydrophobicContact CB-CB 3.94Å
30G92.4Very high93.6Very high32 Ų3269.4 Ų69.433%0.3334%0.344SS..G310 helixtrans49.6-133.9-177.200000112.6C27 Q32 C33 H37C27-G30 PolarHBondContact O-N 2.81Å; G30-Q32 PolarHBondContact O-N 3.06Å; G30-C33 WeakPolarHBondContact O-CB 3.29Å; G30-C33 PolarHBondContact O-N 2.54Å; G30-H37 PolarHBondContact O-CE1 2.67Å; G30-H37 PolarHBondContact O-ND1 2.8Å
31E91.7Very high93.6Very high166 Ų16670.9 Ų70.978%0.77636%0.363SS*.G310 helixtrans-66.7-15.3177.3-60.2-58.3144.100113.9H29 C33H29-E31 PolarHBondContact O-N 2.69Å; E31-C33 VanDerWaalsContact C-N 3.26Å; E31-C33 PolarHBondContact O-N 2.93Å
32Q94.4Very high93.5Very high181 Ų18177 Ų7785%0.84639%0.39SS*.G310 helixtrans-86.96.9177.5-59.3179.4-28.100112.6H29 G30 S34H29-Q32 WeakPolarHBondContact O-CA 3.45Å; H29-Q32 WeakPolarHBondContact O-CB 3.47Å; H29-Q32 PolarHBondContact O-N 3.46Å; G30-Q32 PolarHBondContact O-N 3.06Å; Q32-S34 PolarHBondContact O-N 3.19Å
33C94.3Very high93.6Very high23 Ų2374 Ų7416%0.15538%0.38CS..  trans-64.3133.9177.6-163.40000111H29 G30 E31 R35 H37H29-C33 HydrophobicContact CB-CB 3.94Å; G30-C33 WeakPolarHBondContact O-CB 3.29Å; G30-C33 PolarHBondContact O-N 2.54Å; E31-C33 VanDerWaalsContact C-N 3.26Å; E31-C33 PolarHBondContact O-N 2.93Å; C33-R35 PolarHBondContact O-N 3.19Å; C33-H37 VanDerWaalsContact CB-CE1 3.43Å; C33-H37 WeakPolarHBondContact CB-CE1 3.5Å; C33-H37 WeakPolarHBondContact CB-NE2 3.44Å
34S94.3Very high93.8Very high122 Ų12273.9 Ų73.985%0.85338%0.38SS*.SBendtrans-72.3-8.6174.357.60000113.9Q32Q32-S34 PolarHBondContact O-N 3.19Å
35R93.5Very high94Very high87 Ų8774 Ų7433%0.32838%0.381SS..SBendtrans-111.5155.8177.8-60.8-174.6-171.8-178.44.8110D14 N17 C18 C33D14-R35 PolarHBondContact O-NH1 3.05Å; N17-R35 WeakPolarHBondContact O-CD 3.41Å; C18-R35 HydrophobicContact CB-CB 3.84Å; C33-R35 PolarHBondContact O-N 3.19Å
36L93.6Very high94.2Very high98 Ų9874 Ų7451%0.51338%0.381SS..BIsolated β-bridgetrans-72.3136.5-176.4-61-179.4000112.5V16 C18V16-L36 HydrophobicContact CG1-CD1 3.73Å; V16-L36 HydrophobicContact CG1-CG 4.3Å; V16-L36 PolarHBondContact O-N 3.4Å; C18-L36 WeakPolarHBondContact CB-O 3.43Å; C18-L36 PolarHBondContact N-O 2.92Å
37H94.8Very high94.3Very high38 Ų3873.6 Ų73.618%0.17638%0.377CS..  trans-105.493.9170.2-67172.2000109.2C18 Y21 C27 G30 C33 K39C18-H37 WeakPolarHBondContact CB-CD2 3.41Å; C18-H37 WeakPolarHBondContact CB-NE2 3.3Å; C18-H37 PolarHBondContact SG-NE2 3.05Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.37Å; Y21-H37 HydrophobicContact CD1-CB 3.72Å; Y21-H37 HydrophobicContact CD2-CB 4.11Å; Y21-H37 AromaticContact CD2-CG 3.88Å; Y21-H37 HydrophobicContact CE1-CB 3.98Å; Y21-H37 HydrophobicContact CE2-CB 4.37Å; Y21-H37 HydrophobicContact CG-CB 3.79Å; Y21-H37 AromaticContact CG-CD2 3.7Å; Y21-H37 AromaticContact CG-CG 3.65Å; C27-H37 WeakPolarHBondContact CB-CE1 3.22Å; C27-H37 VanDerWaalsContact CB-NE2 3.32Å; C27-H37 WeakPolarHBondContact CB-NE2 3.44Å; C27-H37 PolarHBondContact SG-NE2 2.61Å; C27-H37 VanDerWaalsContact SG-NE2 3.43Å; G30-H37 PolarHBondContact O-CE1 2.67Å; G30-H37 PolarHBondContact O-ND1 2.8Å; C33-H37 VanDerWaalsContact CB-CE1 3.43Å; C33-H37 WeakPolarHBondContact CB-CE1 3.5Å; C33-H37 WeakPolarHBondContact CB-NE2 3.44Å; H37-K39 PolarHBondContact O-N 2.73Å
38N90.6Very high94.4Very high82 Ų8273.2 Ų73.244%0.43938%0.375SS..  trans-82.498.7-178.9-61.7-32.4000110N17N17-N38 PolarHBondContact OD1-ND2 3.23Å
39K92.2Very high94.5Very high118 Ų11869.9 Ų69.951%0.51337%0.366SS..  trans-66.8124.8172.7-55.9-156.1174.6-166.10109.3Y21 H37 E143Y21-K39 WeakPolarHBondContact OH-CG 2.92Å; H37-K39 PolarHBondContact O-N 2.73Å; K39-E143 IonicContact NZ-OE2 2.77Å; K39-E143 PolarHBondContact NZ-OE2 2.92Å
40P93.1Very high94.4Very high35 Ų3568.9 Ų68.923%0.22736%0.363CS..  trans-67.9139.9179.327.9-33.4000110.7F42 L144 P146P40-F42 WeakPolarHBondContact CB-O 3.33Å; P40-L144 HydrophobicContact CG-CB 3.99Å; P40-L144 WeakPolarHBondContact O-CD1 3.34Å; P40-P146 HydrophobicContact CG-CB 4.47Å
41S92Very high94.6Very high96 Ų9668.2 Ų68.267%0.67135%0.352SS*.SBendtrans-81.2-19.6172.2510000113
42F93Very high94.8Very high139 Ų13960.6 Ų60.661%0.6132%0.316SS*.SBendtrans-144.5146.2174.456-86.6000108.6P40P40-F42 WeakPolarHBondContact CB-O 3.33Å
43G94.2Very high94.6Very high11 Ų1155.4 Ų55.411%0.11329%0.293CS..  trans179.1162.6179.900000111.6E120 A123G43-E120 WeakPolarHBondContact O-CA 3.46Å; G43-A123 VanDerWaalsContact O-CB 3.24Å; G43-A123 WeakPolarHBondContact O-CB 3.45Å
44Q97.3Very high94.1Very high64 Ų6454.5 Ų54.530%0.29929%0.288SS..SBendtrans-87.2-21.2179.1-69.7-178.8-23.400112.8K116 F117 E120Q44-K116 HydrophobicContact CB-CG 4.29Å; Q44-F117 WeakPolarHBondContact CB-O 3.49Å; Q44-F117 PolarHBondContact O-N 3.02Å; Q44-E120 HydrophobicContact CG-CG 3.62Å
45T98.1Very high93.4Very high4 Ų449.5 Ų49.53%0.02525%0.252CS..EExtended strand (participates in β ladder)trans-106.4132.1-170.8-48.20000110.3I115 K116 S145 V147 F150T45-I115 CarbonylContact C-O 3.59Å; T45-I115 WeakPolarHBondContact CA-O 3.13Å; T45-K116 HydrophobicContact CG2-CB 4.43Å; T45-S145 PolarHBondContact O-N 3.25Å; T45-V147 WeakPolarHBondContact CB-O 3.1Å; T45-V147 HydrophobicContact CG2-CB 4.37Å; T45-V147 PolarHBondContact OG1-O 3.33Å; T45-F150 HydrophobicContact CG2-CZ 3.9Å
46I98.1Very high92.3Very high0 Ų050.2 Ų50.20%026%0.259CS..EExtended strand (participates in β ladder)trans-111.2154.7170.770.6166000109.8L48 Y114 I115 F117 A123 A126 V127 L130 E143 L144I46-L48 HydrophobicContact CD1-CD2 3.98Å; I46-L48 HydrophobicContact CD1-CG 4.44Å; I46-Y114 WeakPolarHBondContact O-CA 3.43Å; I46-I115 HydrophobicContact CD1-CB 4.29Å; I46-I115 HydrophobicContact CD1-CD1 4.34Å; I46-I115 HydrophobicContact CG1-CB 3.77Å; I46-I115 HydrophobicContact CG1-CG1 4.4Å; I46-I115 PolarHBondContact N-O 3.01Å; I46-I115 PolarHBondContact O-N 2.83Å; I46-F117 HydrophobicContact CD1-CE2 3.79Å; I46-F117 HydrophobicContact CD1-CZ 4.41Å; I46-F117 HydrophobicContact CG1-CE2 3.95Å; I46-F117 HydrophobicContact CG2-CD2 4.42Å; I46-F117 HydrophobicContact CG2-CE2 4.2Å; I46-A123 HydrophobicContact CG2-CB 3.68Å; I46-A126 HydrophobicContact CD1-CB 3.94Å; I46-V127 HydrophobicContact CB-CG2 4.07Å; I46-V127 HydrophobicContact CG2-CG2 3.59Å; I46-L130 HydrophobicContact CD1-CD1 3.87Å; I46-E143 CarbonylContact C-O 3.55Å; I46-E143 WeakPolarHBondContact CA-O 3.42Å; I46-L144 HydrophobicContact CG2-CD2 4.18Å
47L97.9Very high91.1Very high2 Ų249.8 Ų49.81%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-118.8125.3172.3167.258.6000108.6Q49 N112 Y114 A142 E143L47-Q49 HydrophobicContact CD2-CG 4.04Å; L47-Q49 HydrophobicContact CG-CG 3.95Å; L47-N112 HydrophobicContact CD1-CB 3.65Å; L47-Y114 HydrophobicContact CB-CD1 4.36Å; L47-Y114 HydrophobicContact CB-CE1 4.23Å; L47-Y114 HydrophobicContact CD1-CD1 4.19Å; L47-Y114 HydrophobicContact CD1-CD2 4.28Å; L47-Y114 HydrophobicContact CD1-CE1 3.82Å; L47-Y114 HydrophobicContact CD1-CE2 3.88Å; L47-Y114 HydrophobicContact CD1-CG 4.41Å; L47-Y114 HydrophobicContact CD2-CE1 4.3Å; L47-Y114 HydrophobicContact CG-CE1 4.34Å; L47-A142 CarbonylContact O-C 3.6Å; L47-A142 WeakPolarHBondContact O-CA 3.4Å; L47-E143 HydrophobicContact CB-CG 4.24Å; L47-E143 PolarHBondContact N-O 2.85Å; L47-E143 PolarHBondContact O-N 3.23Å
48L97.8Very high89.5Confident3 Ų351.9 Ų51.92%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-101.6108.8166.8-46.5178.2000107.8I46 L51 V85 N112 V113 I115 L130 V140 H141 A142I46-L48 HydrophobicContact CD1-CD2 3.98Å; I46-L48 HydrophobicContact CD1-CG 4.44Å; L48-L51 HydrophobicContact CB-CB 4.12Å; L48-L51 HydrophobicContact CB-CD2 4Å; L48-L51 HydrophobicContact CD1-CD2 3.57Å; L48-L51 HydrophobicContact CG-CD2 4.41Å; L48-V85 HydrophobicContact CD1-CG1 4.41Å; L48-N112 WeakPolarHBondContact O-CA 3.38Å; L48-V113 HydrophobicContact CB-CB 4.17Å; L48-V113 PolarHBondContact N-O 2.9Å; L48-V113 PolarHBondContact O-N 3.3Å; L48-I115 HydrophobicContact CD1-CD1 3.95Å; L48-L130 HydrophobicContact CD1-CD1 4.29Å; L48-L130 HydrophobicContact CD2-CD1 3.76Å; L48-V140 HydrophobicContact CD2-CG1 4.25Å; L48-H141 CarbonylContact C-O 3.6Å; L48-H141 WeakPolarHBondContact CA-O 3.36Å; L48-A142 HydrophobicContact CD2-CB 3.4Å; L48-A142 VanDerWaalsContact CD2-CB 3.4Å
49Q95.8Very high87.5Confident82 Ų8248.7 Ų48.738%0.38326%0.258SS..THydrogen-bonded Turntrans-75.9130.2-172.7-64.2-176.7-3.900111L47 L51 N112 H141 E143L47-Q49 HydrophobicContact CD2-CG 4.04Å; L47-Q49 HydrophobicContact CG-CG 3.95Å; Q49-L51 PolarHBondContact O-N 3.32Å; Q49-N112 WeakPolarHBondContact CA-OD1 3.21Å; Q49-H141 HydrophobicContact CB-CB 4.3Å; Q49-H141 PolarHBondContact N-O 2.79Å; Q49-E143 VanDerWaalsContact NE2-CD 3.33Å; Q49-E143 PolarHBondContact NE2-OE1 3.44Å
50N94.1Very high85.2Confident63 Ų6351.9 Ų51.934%0.33728%0.275SS..THydrogen-bonded Turntrans4937.7173-168.325.9000114.2N112 R138N50-N112 PolarHBondContact N-OD1 3Å; N50-R138 PolarHBondContact ND2-NH2 3.32Å; N50-R138 PolarHBondContact O-NH1 2.93Å
51L95.8Very high83Confident18 Ų1852.5 Ų52.59%0.09428%0.28CS..  trans-78.9-43.2-178.2-172.572.3000111.1L48 Q49 I53 F81 V85 G111 V113 F135 V140L48-L51 HydrophobicContact CB-CB 4.12Å; L48-L51 HydrophobicContact CB-CD2 4Å; L48-L51 HydrophobicContact CD1-CD2 3.57Å; L48-L51 HydrophobicContact CG-CD2 4.41Å; Q49-L51 PolarHBondContact O-N 3.32Å; L51-I53 PolarHBondContact O-N 2.9Å; L51-F81 HydrophobicContact CD2-CE2 4.45Å; L51-F81 HydrophobicContact CD2-CZ 4.22Å; L51-F81 HydrophobicContact CG-CE2 4.26Å; L51-F81 HydrophobicContact CG-CZ 4.23Å; L51-V85 HydrophobicContact CD2-CG1 4.4Å; L51-V85 HydrophobicContact CD2-CG2 4.08Å; L51-G111 PolarHBondContact N-O 2.88Å; L51-V113 HydrophobicContact CB-CG2 4Å; L51-V113 HydrophobicContact CD2-CG2 4.16Å; L51-F135 HydrophobicContact CD1-CB 3.79Å; L51-F135 HydrophobicContact CD1-CD1 3.87Å; L51-F135 HydrophobicContact CD1-CG 3.91Å; L51-F135 HydrophobicContact CG-CD1 4.24Å; L51-V140 HydrophobicContact CD1-CG1 4.31Å; L51-V140 HydrophobicContact CD1-CG2 3.94Å
52Y95.2Very high81Confident7 Ų753.2 Ų53.23%0.02729%0.291CS..  trans-81.3114.7176.8179.9-118.1000110.4A54 F78 F81 V101 G111 K175Y52-A54 HydrophobicContact CE1-CB 3.78Å; Y52-F78 HydrophobicContact CD2-CD2 4.34Å; Y52-F78 HydrophobicContact CE1-CD2 4.09Å; Y52-F78 HydrophobicContact CE1-CE2 4.45Å; Y52-F78 AromaticContact CE2-CD2 3.73Å; Y52-F78 HydrophobicContact CE2-CD2 3.73Å; Y52-F78 HydrophobicContact CE2-CE2 4.48Å; Y52-F78 AromaticContact CZ-CD2 3.57Å; Y52-F81 HydrophobicContact CD2-CB 4.42Å; Y52-F81 AromaticContact CD2-CD1 3.41Å; Y52-F81 HydrophobicContact CD2-CD1 3.41Å; Y52-F81 VanDerWaalsContact CD2-CD1 3.41Å; Y52-F81 HydrophobicContact CD2-CD2 4.06Å; Y52-F81 AromaticContact CD2-CE1 3.56Å; Y52-F81 HydrophobicContact CD2-CE1 3.56Å; Y52-F81 HydrophobicContact CD2-CE2 4.17Å; Y52-F81 AromaticContact CD2-CG 3.68Å; Y52-F81 HydrophobicContact CD2-CG 3.68Å; Y52-F81 AromaticContact CD2-CZ 3.94Å; Y52-F81 HydrophobicContact CD2-CZ 3.94Å; Y52-F81 HydrophobicContact CE2-CB 4.43Å; Y52-F81 HydrophobicContact CE2-CD1 4.03Å; Y52-F81 HydrophobicContact CE2-CG 4.17Å; Y52-F81 HydrophobicContact CG-CD1 4.16Å; Y52-F81 AromaticContact CG-CE1 3.88Å; Y52-F81 HydrophobicContact CG-CE1 3.88Å; Y52-F81 HydrophobicContact CG-CZ 4.19Å; Y52-V101 HydrophobicContact CD1-CG1 3.82Å; Y52-V101 HydrophobicContact CG-CG1 3.83Å; Y52-G111 PolarHBondContact N-O 3.05Å; Y52-G111 WeakPolarHBondContact O-CA 3.22Å; Y52-K175 HydrophobicContact CE1-CD 4.2Å; Y52-K175 PolarHBondContact OH-NZ 3.28Å
53I91.4Very high78.9Confident72 Ų7253.7 Ų53.737%0.36930%0.3SS..  trans-100.6112.1168.2-46.7179.3000107.6L51 T58 R138L51-I53 PolarHBondContact O-N 2.9Å; I53-T58 WeakPolarHBondContact CG2-OG1 3.48Å; I53-R138 VanDerWaalsContact CG1-NH1 3.32Å
54A83.1Confident76.9Confident4 Ų456 Ų563%0.03333%0.325CS..  trans-64.5131.8176.500000109.5Y52 Q56 N57 T58Y52-A54 HydrophobicContact CE1-CB 3.78Å; A54-Q56 HydrophobicContact CB-CG 4.24Å; A54-Q56 VanDerWaalsContact CB-NE2 3.28Å; A54-Q56 VanDerWaalsContact CB-OE1 3.28Å; A54-Q56 PolarHBondContact O-N 2.74Å; A54-N57 WeakPolarHBondContact O-CA 3.49Å; A54-N57 WeakPolarHBondContact O-CB 3.36Å; A54-N57 PolarHBondContact O-N 2.83Å; A54-T58 PolarHBondContact O-N 3.12Å; A54-T58 PolarHBondContact O-OG1 3.2Å
55P79.1Confident74.7Confident16 Ų1656 Ų5610%0.10433%0.331CS..Hα-helixtrans-54.4-32.1-174.9-29.335.7000114.2N57 T58 A59 L69 I77P55-N57 PolarHBondContact O-N 3.24Å; P55-T58 PolarHBondContact O-N 3.38Å; P55-A59 PolarHBondContact O-N 3.43Å; P55-L69 HydrophobicContact CB-CD1 3.43Å; P55-L69 VanDerWaalsContact CB-CD1 3.43Å; P55-L69 HydrophobicContact CG-CD1 4.29Å; P55-I77 HydrophobicContact CG-CB 4.36Å; P55-I77 HydrophobicContact CG-CD1 4.08Å; P55-I77 HydrophobicContact CG-CG2 3.75Å
56Q71Confident72.8Confident103 Ų10362.7 Ų62.748%0.48136%0.362SS..Hα-helixtrans-62.9-25.7175.565.2-88.826.100113.5A54A54-Q56 HydrophobicContact CB-CG 4.24Å; A54-Q56 VanDerWaalsContact CB-NE2 3.28Å; A54-Q56 VanDerWaalsContact CB-OE1 3.28Å; A54-Q56 PolarHBondContact O-N 2.74Å
57N68.1Low71.1Confident89 Ų8966.8 Ų66.848%0.47638%0.383SS..Hα-helixtrans-87.7-20.5178.4-62.8-9.6000111.9A54 P55 A59A54-N57 WeakPolarHBondContact O-CA 3.49Å; A54-N57 WeakPolarHBondContact O-CB 3.36Å; A54-N57 PolarHBondContact O-N 2.83Å; P55-N57 PolarHBondContact O-N 3.24Å; N57-A59 VanDerWaalsContact C-N 3.31Å
58T62.7Low69.8Low82 Ų8273.9 Ų73.950%0.50342%0.421SS..Hα-helixtrans-84-7.3177.7-34.20000112.3I53 A54 P55 Q60I53-T58 WeakPolarHBondContact CG2-OG1 3.48Å; A54-T58 PolarHBondContact O-N 3.12Å; A54-T58 PolarHBondContact O-OG1 3.2Å; P55-T58 PolarHBondContact O-N 3.38Å; T58-Q60 VanDerWaalsContact C-N 3.26Å; T58-Q60 PolarHBondContact O-N 2.98Å
59A47Very low69Low14 Ų1476.3 Ų76.312%0.11643%0.434CS..  trans-83.141.9-169.400000115.5P55 N57 I67P55-A59 PolarHBondContact O-N 3.43Å; N57-A59 VanDerWaalsContact C-N 3.31Å; A59-I67 HydrophobicContact CB-CB 4.31Å; A59-I67 HydrophobicContact CB-CD1 4.27Å; A59-I67 HydrophobicContact CB-CG1 4.05Å
60Q44.6Very low68.6Low186 Ų18676 Ų7687%0.86944%0.437SS*.  trans-10375.3144.4-75.9-176.217.600107.4T58T58-Q60 VanDerWaalsContact C-N 3.26Å; T58-Q60 PolarHBondContact O-N 2.98Å
61S46.5Very low68.3Low48 Ų4881.4 Ų81.434%0.33646%0.461SS..  trans-57.5144.8155.1-59.80000107.6D63 G64S61-D63 PolarHBondContact O-N 3.07Å; S61-G64 PolarHBondContact O-N 3.36Å
62A49.4Very low68.1Low111 Ų11185.2 Ų85.292%0.91748%0.484SS*.THydrogen-bonded Turntrans-53.3-17.6-178.100000113.9
63D50.6Low67.9Low148 Ų14888.9 Ų88.979%0.79150%0.502SS*.THydrogen-bonded Turntrans-90.43.1179.5-55.5-32.3000114.4S61 S65S61-D63 PolarHBondContact O-N 3.07Å; D63-S65 PolarHBondContact O-N 2.88Å; D63-S65 VanDerWaalsContact O-N 3.13Å
64G50.8Low67.8Low61 Ų6186.4 Ų86.463%0.62949%0.492SS*.  trans66.911.5178.300000115S61 H66S61-G64 PolarHBondContact O-N 3.36Å; G64-H66 PolarHBondContact O-N 2.9Å
65S52.6Low68.3Low62 Ų6289.2 Ų89.243%0.43450%0.504SS..  trans-79.4117.6176.553.50000110.3D63 I67D63-S65 PolarHBondContact O-N 2.88Å; D63-S65 VanDerWaalsContact O-N 3.13Å; S65-I67 PolarHBondContact O-N 3.21Å
66H56.6Low69Low146 Ų14693.4 Ų93.468%0.67652%0.523SS*.  trans-63.2122.8165.5-75.3-82.7000108.4G64 N68G64-H66 PolarHBondContact O-N 2.9Å; H66-N68 VanDerWaalsContact C-N 3.33Å; H66-N68 PolarHBondContact O-N 3.25Å
67I63.1Low70Confident86 Ų8691.5 Ų91.544%0.44152%0.515SS..  trans-69.697.6170.1-50.7174.5000106.7A59 S65 L69A59-I67 HydrophobicContact CB-CB 4.31Å; A59-I67 HydrophobicContact CB-CD1 4.27Å; A59-I67 HydrophobicContact CB-CG1 4.05Å; S65-I67 PolarHBondContact O-N 3.21Å; I67-L69 HydrophobicContact CG2-CD1 3.82Å; I67-L69 HydrophobicContact CG2-CG 3.74Å; I67-L69 PolarHBondContact O-N 2.84Å
68N70.7Confident71.3Confident151 Ų15187.3 Ų87.381%0.80749%0.493SS*.  trans-73.175.2174.1-71.5-30.9000109.6H66H66-N68 VanDerWaalsContact C-N 3.33Å; H66-N68 PolarHBondContact O-N 3.25Å
69L80.6Confident72.9Confident54 Ų5484.6 Ų84.628%0.28348%0.475SS..  trans-75.2131170.9-81.2153.1000109.5P55 I67 Q73 I77P55-L69 HydrophobicContact CB-CD1 3.43Å; P55-L69 VanDerWaalsContact CB-CD1 3.43Å; P55-L69 HydrophobicContact CG-CD1 4.29Å; I67-L69 HydrophobicContact CG2-CD1 3.82Å; I67-L69 HydrophobicContact CG2-CG 3.74Å; I67-L69 PolarHBondContact O-N 2.84Å; L69-Q73 HydrophobicContact CD2-CB 3.52Å; L69-Q73 HydrophobicContact CD2-CG 4.47Å; L69-I77 HydrophobicContact CD1-CD1 4.07Å; L69-I77 HydrophobicContact CD2-CD1 3.68Å
70T88.1Confident75.2Confident75 Ų7590.1 Ų90.146%0.4650%0.499SS..  trans-66.7154.1165.7600000110V72 Q73 A74T70-V72 PolarHBondContact O-N 3.33Å; T70-V72 VanDerWaalsContact O-N 3.16Å; T70-Q73 PolarHBondContact O-N 3.28Å; T70-Q73 VanDerWaalsContact OG1-CD 3.28Å; T70-Q73 VanDerWaalsContact OG1-CG 3.24Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.34Å; T70-Q73 PolarHBondContact OG1-N 3.45Å; T70-Q73 PolarHBondContact OG1-OE1 3.41Å; T70-A74 PolarHBondContact O-N 2.96Å
71E87.8Confident77.7Confident177 Ų17782 Ų8283%0.82746%0.461SS*.Hα-helixtrans-54.3-35.9175.9-66.3-179172.900112.1A74 Q75E71-A74 PolarHBondContact O-N 2.87Å; E71-Q75 WeakPolarHBondContact O-CB 3.37Å; E71-Q75 PolarHBondContact O-N 2.93Å
72V90.3Very high80.1Confident97 Ų9780 Ų8059%0.58845%0.446SS*.Hα-helixtrans-64.1-46.3177-179.60000111.2T70 Q75 Q76T70-V72 PolarHBondContact O-N 3.33Å; T70-V72 VanDerWaalsContact O-N 3.16Å; V72-Q75 PolarHBondContact O-N 2.86Å; V72-Q76 WeakPolarHBondContact O-CG 3.36Å; V72-Q76 PolarHBondContact O-N 2.93Å
73Q91.1Very high82.4Confident84 Ų8477 Ų7739%0.39341%0.413SS..Hα-helixtrans-67.4-40.2177.6-70.7165.1-41.900111.5L69 T70 Q75 Q76 I77L69-Q73 HydrophobicContact CD2-CB 3.52Å; L69-Q73 HydrophobicContact CD2-CG 4.47Å; T70-Q73 PolarHBondContact O-N 3.28Å; T70-Q73 VanDerWaalsContact OG1-CD 3.28Å; T70-Q73 VanDerWaalsContact OG1-CG 3.24Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.34Å; T70-Q73 PolarHBondContact OG1-N 3.45Å; T70-Q73 PolarHBondContact OG1-OE1 3.41Å; Q73-Q75 VanDerWaalsContact C-N 3.3Å; Q73-Q75 PolarHBondContact O-N 3.44Å; Q73-Q76 PolarHBondContact O-N 2.86Å; Q73-I77 WeakPolarHBondContact O-CG1 3.23Å; Q73-I77 PolarHBondContact O-N 2.89Å
74A90.7Very high84.6Confident21 Ų2175.5 Ų75.517%0.17440%0.401CS..Hα-helixtrans-61.9-38.817600000111.9T70 E71 F78T70-A74 PolarHBondContact O-N 2.96Å; E71-A74 PolarHBondContact O-N 2.87Å; A74-F78 WeakPolarHBondContact O-CB 3.37Å; A74-F78 PolarHBondContact O-N 2.9Å; A74-F78 VanDerWaalsContact O-N 3.1Å
75Q92.5Very high86.8Confident62 Ų6273 Ų7329%0.2937%0.373SS..Hα-helixtrans-66.9-41.7173.8-173.765.542.800111.9E71 V72 Q73 F78 D79 P176E71-Q75 WeakPolarHBondContact O-CB 3.37Å; E71-Q75 PolarHBondContact O-N 2.93Å; V72-Q75 PolarHBondContact O-N 2.86Å; Q73-Q75 VanDerWaalsContact C-N 3.3Å; Q73-Q75 PolarHBondContact O-N 3.44Å; Q75-F78 PolarHBondContact O-N 3.11Å; Q75-D79 PolarHBondContact NE2-OD1 2.97Å; Q75-D79 WeakPolarHBondContact O-CB 3.29Å; Q75-D79 PolarHBondContact O-N 3.36Å; Q75-P176 PolarHBondContact NE2-O 2.95Å; Q75-P176 VanDerWaalsContact NE2-O 3.07Å
76Q93.6Very high88.9Confident105 Ų10570 Ų7049%0.49135%0.353SS..Hα-helixtrans-60.1-47.7176.7-75171.7-20.400111.8V72 Q73 F78 D79 E80V72-Q76 WeakPolarHBondContact O-CG 3.36Å; V72-Q76 PolarHBondContact O-N 2.93Å; Q73-Q76 PolarHBondContact O-N 2.86Å; Q76-F78 VanDerWaalsContact C-N 3.27Å; Q76-F78 PolarHBondContact O-N 2.83Å; Q76-D79 PolarHBondContact O-N 3.26Å; Q76-E80 WeakPolarHBondContact O-CG 3.23Å; Q76-E80 PolarHBondContact O-N 3.49Å
77I93Very high90.8Very high63 Ų6364.5 Ų64.532%0.32333%0.329SS..Hα-helixtrans-60.5-40176.7-65165000110.9P55 L69 Q73 F81P55-I77 HydrophobicContact CG-CB 4.36Å; P55-I77 HydrophobicContact CG-CD1 4.08Å; P55-I77 HydrophobicContact CG-CG2 3.75Å; L69-I77 HydrophobicContact CD1-CD1 4.07Å; L69-I77 HydrophobicContact CD2-CD1 3.68Å; Q73-I77 WeakPolarHBondContact O-CG1 3.23Å; Q73-I77 PolarHBondContact O-N 2.89Å; I77-F81 WeakPolarHBondContact O-CB 3.2Å; I77-F81 PolarHBondContact O-N 3Å
78F95.4Very high92.4Very high0 Ų062.9 Ų62.90%032%0.32CS..Hα-helixtrans-66.2-43.6176.7176-112.6000112.5Y52 A74 Q75 Q76 E80 F81 F82 V101 K175 P176 I177Y52-F78 HydrophobicContact CD2-CD2 4.34Å; Y52-F78 HydrophobicContact CE1-CD2 4.09Å; Y52-F78 HydrophobicContact CE1-CE2 4.45Å; Y52-F78 AromaticContact CE2-CD2 3.73Å; Y52-F78 HydrophobicContact CE2-CD2 3.73Å; Y52-F78 HydrophobicContact CE2-CE2 4.48Å; Y52-F78 AromaticContact CZ-CD2 3.57Å; A74-F78 WeakPolarHBondContact O-CB 3.37Å; A74-F78 PolarHBondContact O-N 2.9Å; A74-F78 VanDerWaalsContact O-N 3.1Å; Q75-F78 PolarHBondContact O-N 3.11Å; Q76-F78 VanDerWaalsContact C-N 3.27Å; Q76-F78 PolarHBondContact O-N 2.83Å; F78-E80 VanDerWaalsContact C-N 3.34Å; F78-F81 HydrophobicContact CD2-CD1 4.48Å; F78-F81 PolarHBondContact O-N 2.81Å; F78-F82 HydrophobicContact CZ-CD2 4.12Å; F78-F82 WeakPolarHBondContact O-CB 3.34Å; F78-F82 PolarHBondContact O-N 2.68Å; F78-V101 HydrophobicContact CE2-CB 3.89Å; F78-V101 HydrophobicContact CE2-CG1 3.95Å; F78-V101 HydrophobicContact CE2-CG2 4.08Å; F78-V101 HydrophobicContact CZ-CB 4.08Å; F78-V101 HydrophobicContact CZ-CG2 4.26Å; F78-K175 HydrophobicContact CD1-CD 3.98Å; F78-K175 HydrophobicContact CD1-CG 3.9Å; F78-K175 HydrophobicContact CD2-CD 3.66Å; F78-K175 HydrophobicContact CD2-CG 4.26Å; F78-K175 HydrophobicContact CE1-CB 3.92Å; F78-K175 HydrophobicContact CE1-CD 4.08Å; F78-K175 HydrophobicContact CE1-CG 3.61Å; F78-K175 HydrophobicContact CE2-CB 3.95Å; F78-K175 HydrophobicContact CE2-CD 3.75Å; F78-K175 HydrophobicContact CE2-CG 4Å; F78-K175 HydrophobicContact CG-CD 3.77Å; F78-K175 HydrophobicContact CG-CG 4.2Å; F78-K175 HydrophobicContact CZ-CB 3.53Å; F78-K175 HydrophobicContact CZ-CD 3.97Å; F78-K175 HydrophobicContact CZ-CG 3.67Å; F78-K175 WeakPolarHBondContact CZ-O 3.29Å; F78-P176 WeakPolarHBondContact CE1-O 3.45Å; F78-I177 HydrophobicContact CD1-CG2 4.47Å; F78-I177 HydrophobicContact CE1-CB 4.5Å; F78-I177 HydrophobicContact CE1-CG2 3.64Å; F78-I177 HydrophobicContact CZ-CG2 4.15Å
79D96.3Very high93.6Very high25 Ų2555.9 Ų55.913%0.13428%0.282CS..Hα-helixtrans-62.8-40.8177.1-84.910000111.5Q75 Q76 F82 E83 S178 L181Q75-D79 PolarHBondContact NE2-OD1 2.97Å; Q75-D79 WeakPolarHBondContact O-CB 3.29Å; Q75-D79 PolarHBondContact O-N 3.36Å; Q76-D79 PolarHBondContact O-N 3.26Å; D79-F82 PolarHBondContact O-N 2.82Å; D79-E83 WeakPolarHBondContact O-CB 3.16Å; D79-E83 PolarHBondContact O-N 3.27Å; D79-S178 PolarHBondContact OD1-N 3.37Å; D79-S178 WeakPolarHBondContact OD2-CB 3.36Å; D79-S178 PolarHBondContact OD2-OG 3.18Å; D79-L181 HydrophobicContact CB-CD2 3.71Å; D79-L181 WeakPolarHBondContact O-CD2 3.49Å
80E95.6Very high94.4Very high130 Ų13053.3 Ų53.361%0.60727%0.269SS*.Hα-helixtrans-61.5-49.4174.7-74.6172.5-17000111.6Q76 F78 F82 E83 E84Q76-E80 WeakPolarHBondContact O-CG 3.23Å; Q76-E80 PolarHBondContact O-N 3.49Å; F78-E80 VanDerWaalsContact C-N 3.34Å; E80-F82 PolarHBondContact O-N 2.84Å; E80-E83 PolarHBondContact O-N 3.48Å; E80-E84 WeakPolarHBondContact O-CB 3.49Å; E80-E84 PolarHBondContact O-N 3.02Å
81F96.4Very high94.7Very high17 Ų1754.6 Ų54.68%0.07527%0.27CS..Hα-helixtrans-57-48.2174.7166.4-94.9000111.8L51 Y52 I77 F78 E83 E84 V85 V101 V113 F135L51-F81 HydrophobicContact CD2-CE2 4.45Å; L51-F81 HydrophobicContact CD2-CZ 4.22Å; L51-F81 HydrophobicContact CG-CE2 4.26Å; L51-F81 HydrophobicContact CG-CZ 4.23Å; Y52-F81 HydrophobicContact CD2-CB 4.42Å; Y52-F81 AromaticContact CD2-CD1 3.41Å; Y52-F81 HydrophobicContact CD2-CD1 3.41Å; Y52-F81 VanDerWaalsContact CD2-CD1 3.41Å; Y52-F81 HydrophobicContact CD2-CD2 4.06Å; Y52-F81 AromaticContact CD2-CE1 3.56Å; Y52-F81 HydrophobicContact CD2-CE1 3.56Å; Y52-F81 HydrophobicContact CD2-CE2 4.17Å; Y52-F81 AromaticContact CD2-CG 3.68Å; Y52-F81 HydrophobicContact CD2-CG 3.68Å; Y52-F81 AromaticContact CD2-CZ 3.94Å; Y52-F81 HydrophobicContact CD2-CZ 3.94Å; Y52-F81 HydrophobicContact CE2-CB 4.43Å; Y52-F81 HydrophobicContact CE2-CD1 4.03Å; Y52-F81 HydrophobicContact CE2-CG 4.17Å; Y52-F81 HydrophobicContact CG-CD1 4.16Å; Y52-F81 AromaticContact CG-CE1 3.88Å; Y52-F81 HydrophobicContact CG-CE1 3.88Å; Y52-F81 HydrophobicContact CG-CZ 4.19Å; I77-F81 WeakPolarHBondContact O-CB 3.2Å; I77-F81 PolarHBondContact O-N 3Å; F78-F81 HydrophobicContact CD2-CD1 4.48Å; F78-F81 PolarHBondContact O-N 2.81Å; F81-E83 VanDerWaalsContact C-N 3.35Å; F81-E83 PolarHBondContact O-N 3.07Å; F81-E84 PolarHBondContact O-N 2.69Å; F81-V85 HydrophobicContact CD2-CG2 4.29Å; F81-V85 HydrophobicContact CE1-CG2 4.48Å; F81-V85 HydrophobicContact CE2-CG2 3.85Å; F81-V85 HydrophobicContact CZ-CG2 3.95Å; F81-V85 WeakPolarHBondContact O-CG2 3.44Å; F81-V85 PolarHBondContact O-N 3.14Å; F81-V85 VanDerWaalsContact O-N 3.11Å; F81-V101 HydrophobicContact CE1-CG1 4.33Å; F81-V101 HydrophobicContact CE1-CG2 4.11Å; F81-V113 HydrophobicContact CE1-CG2 4.1Å; F81-V113 HydrophobicContact CZ-CG2 3.87Å; F81-F135 AromaticContact CD2-CE1 3.71Å; F81-F135 HydrophobicContact CD2-CE1 3.71Å; F81-F135 AromaticContact CD2-CZ 3.67Å; F81-F135 HydrophobicContact CD2-CZ 3.67Å; F81-F135 HydrophobicContact CE2-CD1 4.44Å; F81-F135 AromaticContact CE2-CE1 3.52Å; F81-F135 HydrophobicContact CE2-CE1 3.52Å; F81-F135 AromaticContact CE2-CZ 3.75Å; F81-F135 HydrophobicContact CE2-CZ 3.75Å
82F97.4Very high95.1Very high6 Ų650.5 Ų50.53%0.02625%0.249CC..Hα-helixtrans-63.5-43.9-178.6-170-76.5000110.7F78 D79 E80 F86 M99 V101 I177 L181 L185F78-F82 HydrophobicContact CZ-CD2 4.12Å; F78-F82 WeakPolarHBondContact O-CB 3.34Å; F78-F82 PolarHBondContact O-N 2.68Å; D79-F82 PolarHBondContact O-N 2.82Å; E80-F82 PolarHBondContact O-N 2.84Å; F82-F86 HydrophobicContact CD1-CB 4.33Å; F82-F86 HydrophobicContact CE1-CB 4.27Å; F82-F86 AromaticContact CE1-CD2 3.91Å; F82-F86 HydrophobicContact CE1-CD2 3.91Å; F82-F86 HydrophobicContact CE1-CG 4.4Å; F82-F86 HydrophobicContact CZ-CD2 4.47Å; F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 PolarHBondContact O-N 3.44Å; F82-M99 HydrophobicContact CD2-CE 4Å; F82-M99 HydrophobicContact CE1-SD 4.34Å; F82-M99 HydrophobicContact CE2-CB 4.49Å; F82-M99 HydrophobicContact CE2-CE 4.09Å; F82-M99 HydrophobicContact CE2-CG 3.97Å; F82-M99 HydrophobicContact CE2-SD 4.41Å; F82-M99 HydrophobicContact CG-CE 4.22Å; F82-M99 HydrophobicContact CZ-CB 3.97Å; F82-M99 HydrophobicContact CZ-CE 4.39Å; F82-M99 HydrophobicContact CZ-CG 3.85Å; F82-M99 WeakPolarHBondContact CZ-O 3.25Å; F82-M99 HydrophobicContact CZ-SD 4.17Å; F82-V101 HydrophobicContact CD2-CG2 3.77Å; F82-V101 HydrophobicContact CE2-CG2 4.09Å; F82-I177 HydrophobicContact CB-CG2 3.95Å; F82-I177 HydrophobicContact CD1-CD1 4.37Å; F82-I177 HydrophobicContact CD1-CG2 3.77Å; F82-I177 HydrophobicContact CD2-CG2 3.37Å; F82-I177 HydrophobicContact CE1-CD1 3.93Å; F82-I177 HydrophobicContact CE1-CG2 4.08Å; F82-I177 HydrophobicContact CE2-CG2 3.7Å; F82-I177 HydrophobicContact CG-CG2 3.41Å; F82-I177 VanDerWaalsContact CG-CG2 3.41Å; F82-I177 HydrophobicContact CZ-CD1 4.16Å; F82-I177 HydrophobicContact CZ-CG2 4.04Å; F82-L181 HydrophobicContact CB-CD2 4.26Å; F82-L181 HydrophobicContact CD1-CD2 4.23Å; F82-L185 HydrophobicContact CD1-CD1 3.73Å; F82-L185 HydrophobicContact CE1-CD1 3.76Å
83E97.3Very high95.4Very high48 Ų4846.6 Ų46.622%0.22422%0.224CC..Hα-helixtrans-58.5-51.3175.7179.8154.9-155.900111D79 E80 F81 V85 F86 V87 L181 K184 L185D79-E83 WeakPolarHBondContact O-CB 3.16Å; D79-E83 PolarHBondContact O-N 3.27Å; E80-E83 PolarHBondContact O-N 3.48Å; F81-E83 VanDerWaalsContact C-N 3.35Å; F81-E83 PolarHBondContact O-N 3.07Å; E83-V85 PolarHBondContact O-N 3.49Å; E83-F86 PolarHBondContact O-N 2.64Å; E83-V87 HydrophobicContact CG-CG2 3.77Å; E83-V87 WeakPolarHBondContact O-CB 3.36Å; E83-V87 WeakPolarHBondContact O-CG2 3.35Å; E83-V87 PolarHBondContact O-N 2.64Å; E83-L181 HydrophobicContact CB-CD1 3.91Å; E83-L181 HydrophobicContact CB-CD2 4.47Å; E83-L181 HydrophobicContact CG-CD1 4.3Å; E83-K184 WeakPolarHBondContact OE1-CE 3.49Å; E83-K184 IonicContact OE1-NZ 2.67Å; E83-K184 PolarHBondContact OE1-NZ 3.02Å; E83-K184 IonicContact OE2-NZ 2.8Å; E83-K184 PolarHBondContact OE2-NZ 2.88Å; E83-L185 HydrophobicContact CG-CD2 4.19Å
84E96.8Very high95.6Very high116 Ų11643 Ų4354%0.54221%0.209SC..Hα-helixtrans-55.3-52.7-177.9-174.6177.7176.600111.7E80 F81 F86 E88 F135E80-E84 WeakPolarHBondContact O-CB 3.49Å; E80-E84 PolarHBondContact O-N 3.02Å; F81-E84 PolarHBondContact O-N 2.69Å; E84-F86 PolarHBondContact O-N 3.3Å; E84-E88 WeakPolarHBondContact O-CB 3.43Å; E84-E88 PolarHBondContact O-N 3.07Å; E84-F135 HydrophobicContact CG-CE2 4.36Å
85V96.9Very high95.9Very high8 Ų843.7 Ų43.75%0.04821%0.209CC..Hα-helixtrans-65.4-41.8-179.5177.20000111.2L48 L51 F81 E83 C89 M99 V113 I115 F135L48-V85 HydrophobicContact CD1-CG1 4.41Å; L51-V85 HydrophobicContact CD2-CG1 4.4Å; L51-V85 HydrophobicContact CD2-CG2 4.08Å; F81-V85 HydrophobicContact CD2-CG2 4.29Å; F81-V85 HydrophobicContact CE1-CG2 4.48Å; F81-V85 HydrophobicContact CE2-CG2 3.85Å; F81-V85 HydrophobicContact CZ-CG2 3.95Å; F81-V85 WeakPolarHBondContact O-CG2 3.44Å; F81-V85 PolarHBondContact O-N 3.14Å; F81-V85 VanDerWaalsContact O-N 3.11Å; E83-V85 PolarHBondContact O-N 3.49Å; V85-C89 WeakPolarHBondContact O-CB 3.42Å; V85-C89 PolarHBondContact O-N 2.9Å; V85-C89 PolarHBondContact O-SG 2.89Å; V85-M99 HydrophobicContact CB-CE 3.67Å; V85-M99 HydrophobicContact CG1-CE 3.54Å; V85-M99 HydrophobicContact CG1-SD 4.2Å; V85-V113 HydrophobicContact CG1-CG1 4.42Å; V85-I115 HydrophobicContact CG1-CD1 4.02Å; V85-F135 HydrophobicContact CG2-CE2 4.2Å; V85-F135 HydrophobicContact CG2-CZ 4.26Å
86F97.3Very high96.1Very high0 Ų041 Ų410%020%0.196CC..Hα-helixtrans-64.8-48.2179.9-171.6-78000111.8F82 E83 E84 E90 I96 M99 L185 Y186F82-F86 HydrophobicContact CD1-CB 4.33Å; F82-F86 HydrophobicContact CE1-CB 4.27Å; F82-F86 AromaticContact CE1-CD2 3.91Å; F82-F86 HydrophobicContact CE1-CD2 3.91Å; F82-F86 HydrophobicContact CE1-CG 4.4Å; F82-F86 HydrophobicContact CZ-CD2 4.47Å; F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 PolarHBondContact O-N 3.44Å; E83-F86 PolarHBondContact O-N 2.64Å; E84-F86 PolarHBondContact O-N 3.3Å; F86-E90 HydrophobicContact CD1-CB 4.45Å; F86-E90 HydrophobicContact CE1-CB 4.34Å; F86-E90 WeakPolarHBondContact O-CB 3.42Å; F86-E90 PolarHBondContact O-N 3.39Å; F86-I96 HydrophobicContact CD1-CD1 4.44Å; F86-I96 HydrophobicContact CD2-CD1 4.03Å; F86-I96 HydrophobicContact CD2-CG2 4.34Å; F86-I96 HydrophobicContact CE2-CB 4.01Å; F86-I96 HydrophobicContact CE2-CD1 4.13Å; F86-I96 HydrophobicContact CE2-CG2 3.69Å; F86-I96 HydrophobicContact CG-CD1 4.19Å; F86-I96 HydrophobicContact CZ-CB 4.03Å; F86-I96 HydrophobicContact CZ-CD1 4.36Å; F86-I96 HydrophobicContact CZ-CG2 4.21Å; F86-M99 HydrophobicContact CB-SD 3.78Å; F86-M99 HydrophobicContact CD2-CB 3.95Å; F86-M99 HydrophobicContact CD2-SD 3.83Å; F86-M99 HydrophobicContact CE2-CB 4.32Å; F86-M99 HydrophobicContact CG-SD 4.28Å; F86-L185 HydrophobicContact CB-CD1 4.04Å; F86-L185 HydrophobicContact CD1-CB 4.1Å; F86-L185 HydrophobicContact CD1-CD1 4.08Å; F86-L185 HydrophobicContact CD1-CD2 3.95Å; F86-L185 HydrophobicContact CD1-CG 4.26Å; F86-L185 HydrophobicContact CD2-CD1 4.31Å; F86-L185 HydrophobicContact CE1-CB 3.97Å; F86-L185 HydrophobicContact CG-CD1 3.88Å; F86-L185 HydrophobicContact CG-CD2 4.49Å; F86-L185 HydrophobicContact CZ-CB 4.34Å; F86-Y186 HydrophobicContact CE2-CE1 4.37Å; F86-Y186 HydrophobicContact CZ-CE1 4.43Å
87V96.4Very high96.1Very high29 Ų2939.1 Ų39.118%0.17619%0.188CC..Hα-helixtrans-59.6-53177.7-175.80000109.4E83 C89 E90 E91 L185E83-V87 HydrophobicContact CG-CG2 3.77Å; E83-V87 WeakPolarHBondContact O-CB 3.36Å; E83-V87 WeakPolarHBondContact O-CG2 3.35Å; E83-V87 PolarHBondContact O-N 2.64Å; V87-C89 VanDerWaalsContact C-N 3.32Å; V87-C89 PolarHBondContact O-N 3.01Å; V87-E90 PolarHBondContact O-N 2.97Å; V87-E91 HydrophobicContact CG1-CG 3.92Å; V87-E91 WeakPolarHBondContact O-CB 3.38Å; V87-E91 VanDerWaalsContact O-CG 3.22Å; V87-E91 WeakPolarHBondContact O-CG 2.99Å; V87-E91 PolarHBondContact O-N 2.92Å; V87-L185 HydrophobicContact CG2-CD2 4.39Å
88E96.1Very high96.3Very high53 Ų5339.7 Ų39.725%0.24819%0.189CC..Hα-helixtrans-56.8-47.5-175-176.270170.900111.9E84 K92 R133E84-E88 WeakPolarHBondContact O-CB 3.43Å; E84-E88 PolarHBondContact O-N 3.07Å; E88-K92 HydrophobicContact CG-CD 4.36Å; E88-K92 WeakPolarHBondContact O-CB 3.34Å; E88-K92 WeakPolarHBondContact O-CG 3.38Å; E88-K92 PolarHBondContact O-N 3.23Å; E88-K92 VanDerWaalsContact O-N 3.12Å; E88-K92 WeakPolarHBondContact OE1-CD 3.24Å; E88-K92 WeakPolarHBondContact OE1-CE 3.49Å; E88-K92 IonicContact OE1-NZ 3.6Å; E88-K92 PolarHBondContact OE1-NZ 3.43Å; E88-R133 IonicContact OE1-CZ 3.08Å; E88-R133 IonicContact OE1-NH1 2.69Å; E88-R133 PolarHBondContact OE1-NH1 3.16Å; E88-R133 IonicContact OE1-NH2 2.64Å; E88-R133 PolarHBondContact OE1-NH2 3.3Å
89C97.1Very high96.4Very high3 Ų339.8 Ų39.82%0.0219%0.189CC..Hα-helixtrans-69.3-39.6-179.6-67.40000112.5V85 V87 Y93 G94 I96 I115 F117V85-C89 WeakPolarHBondContact O-CB 3.42Å; V85-C89 PolarHBondContact O-N 2.9Å; V85-C89 PolarHBondContact O-SG 2.89Å; V87-C89 VanDerWaalsContact C-N 3.32Å; V87-C89 PolarHBondContact O-N 3.01Å; C89-Y93 HydrophobicContact CB-CD2 4Å; C89-Y93 HydrophobicContact CB-CE2 4.36Å; C89-Y93 WeakPolarHBondContact O-CB 3.24Å; C89-Y93 WeakPolarHBondContact O-CD2 3.34Å; C89-Y93 PolarHBondContact O-N 2.79Å; C89-G94 PolarHBondContact O-N 3.23Å; C89-I96 HydrophobicContact CB-CD1 3.89Å; C89-I115 HydrophobicContact CB-CD1 4.09Å; C89-I115 VanDerWaalsContact SG-CD1 3.54Å; C89-F117 HydrophobicContact CB-CE1 4.46Å; C89-F117 HydrophobicContact CB-CZ 4.21Å
90E96Very high96.4Very high0 Ų039.7 Ų39.70%019%0.189CC..Hα-helixtrans-65.6-40.5178.8-178.6176.6-127.600111.8F86 V87 G94 I96 R188 S189 Y193F86-E90 HydrophobicContact CD1-CB 4.45Å; F86-E90 HydrophobicContact CE1-CB 4.34Å; F86-E90 WeakPolarHBondContact O-CB 3.42Å; F86-E90 PolarHBondContact O-N 3.39Å; V87-E90 PolarHBondContact O-N 2.97Å; E90-G94 VanDerWaalsContact CA-O 3.29Å; E90-G94 WeakPolarHBondContact CA-O 3.43Å; E90-I96 HydrophobicContact CB-CD1 3.96Å; E90-I96 HydrophobicContact CB-CG1 4.24Å; E90-R188 IonicContact OE2-CZ 2.93Å; E90-R188 IonicContact OE2-NE 3.36Å; E90-R188 PolarHBondContact OE2-NE 3.01Å; E90-R188 IonicContact OE2-NH2 3.56Å; E90-R188 PolarHBondContact OE2-NH2 3.4Å; E90-S189 WeakPolarHBondContact OE1-CA 3.46Å; E90-S189 WeakPolarHBondContact OE1-CB 3.32Å; E90-S189 PolarHBondContact OE1-OG 3.21Å; E90-Y193 HydrophobicContact CG-CE2 3.94Å; E90-Y193 PolarHBondContact O-OH 3.47Å; E90-Y193 VanDerWaalsContact O-OH 3.06Å
91E95Very high96.5Very high102 Ų10233.5 Ų33.548%0.47716%0.16SC..Hα-helixtrans-75.9-38.5-176.5-63.6-150.2137.300113.2V87 R192V87-E91 HydrophobicContact CG1-CG 3.92Å; V87-E91 WeakPolarHBondContact O-CB 3.38Å; V87-E91 VanDerWaalsContact O-CG 3.22Å; V87-E91 WeakPolarHBondContact O-CG 2.99Å; V87-E91 PolarHBondContact O-N 2.92Å; E91-R192 IonicContact OE1-CZ 3.43Å; E91-R192 IonicContact OE1-NH1 2.64Å; E91-R192 PolarHBondContact OE1-NH1 3.18Å; E91-R192 IonicContact OE1-NH2 2.74Å; E91-R192 PolarHBondContact OE1-NH2 3.35Å
92K95.6Very high96.5Very high92 Ų9232.7 Ų32.740%0.416%0.157SC..Hα-helixtrans-88.7-35.2-174.6-69.4-172.7171.4-177.30114.3E88 K125E88-K92 HydrophobicContact CG-CD 4.36Å; E88-K92 WeakPolarHBondContact O-CB 3.34Å; E88-K92 WeakPolarHBondContact O-CG 3.38Å; E88-K92 PolarHBondContact O-N 3.23Å; E88-K92 VanDerWaalsContact O-N 3.12Å; E88-K92 WeakPolarHBondContact OE1-CD 3.24Å; E88-K92 WeakPolarHBondContact OE1-CE 3.49Å; E88-K92 IonicContact OE1-NZ 3.6Å; E88-K92 PolarHBondContact OE1-NZ 3.43Å; K92-K125 PolarHBondContact O-NZ 2.91Å
93Y96.7Very high96.4Very high14 Ų1434.5 Ų34.56%0.05517%0.166CC..THydrogen-bonded Turntrans-109.2-57.7-170.2-47.1-57.7000112C89 F117 K125 A126 D129 L130 R133C89-Y93 HydrophobicContact CB-CD2 4Å; C89-Y93 HydrophobicContact CB-CE2 4.36Å; C89-Y93 WeakPolarHBondContact O-CB 3.24Å; C89-Y93 WeakPolarHBondContact O-CD2 3.34Å; C89-Y93 PolarHBondContact O-N 2.79Å; Y93-F117 HydrophobicContact CD2-CZ 4.2Å; Y93-K125 HydrophobicContact CD1-CD 4.41Å; Y93-K125 HydrophobicContact CD1-CG 4.29Å; Y93-A126 HydrophobicContact CD1-CB 3.97Å; Y93-A126 HydrophobicContact CD2-CB 3.58Å; Y93-A126 HydrophobicContact CE1-CB 4.45Å; Y93-A126 HydrophobicContact CE2-CB 4.11Å; Y93-A126 HydrophobicContact CG-CB 3.53Å; Y93-D129 HydrophobicContact CE1-CB 3.66Å; Y93-D129 VanDerWaalsContact CE1-OD2 3.3Å; Y93-D129 WeakPolarHBondContact CE1-OD2 3.37Å; Y93-D129 VanDerWaalsContact CZ-OD2 3.3Å; Y93-D129 PolarHBondContact OH-OD2 3.42Å; Y93-L130 HydrophobicContact CE2-CD1 4Å; Y93-L130 HydrophobicContact CE2-CD2 3.97Å; Y93-L130 HydrophobicContact CE2-CG 3.89Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.23Å; Y93-L130 WeakPolarHBondContact OH-CG 3.09Å; Y93-R133 PolarHBondContact OH-NH1 2.86Å
94G95.4Very high96.2Very high8 Ų832.3 Ų32.38%0.08216%0.156CC..  trans175-179.2-17500000116.2C89 E90 I96 D122C89-G94 PolarHBondContact O-N 3.23Å; E90-G94 VanDerWaalsContact CA-O 3.29Å; E90-G94 WeakPolarHBondContact CA-O 3.43Å; G94-I96 PolarHBondContact O-N 2.92Å; G94-D122 WeakPolarHBondContact CA-OD2 3.45Å
95E96.6Very high96Very high37 Ų3732.3 Ų32.317%0.17316%0.16CC..  trans-65.2118.6177.8-175.4174.9-179.700109.7F117 R118 Y193 R197E95-F117 CarbonylContact O-C 3.57Å; E95-F117 WeakPolarHBondContact O-CA 3.5Å; E95-R118 HydrophobicContact CB-CB 4.07Å; E95-R118 HydrophobicContact CG-CB 4.33Å; E95-R118 PolarHBondContact O-N 2.68Å; E95-R118 WeakPolarHBondContact OE2-CD 3.43Å; E95-Y193 HydrophobicContact CB-CD1 3.76Å; E95-Y193 HydrophobicContact CB-CD2 3.87Å; E95-Y193 HydrophobicContact CB-CE1 3.69Å; E95-Y193 HydrophobicContact CB-CE2 3.83Å; E95-Y193 HydrophobicContact CB-CG 3.87Å; E95-Y193 VanDerWaalsContact CD-CB 3.44Å; E95-Y193 HydrophobicContact CG-CD1 4.09Å; E95-Y193 HydrophobicContact CG-CD2 3.57Å; E95-Y193 HydrophobicContact CG-CE1 4.42Å; E95-Y193 HydrophobicContact CG-CE2 3.96Å; E95-Y193 HydrophobicContact CG-CG 3.66Å; E95-Y193 WeakPolarHBondContact OE2-CB 3.5Å; E95-R197 IonicContact OE1-CZ 3.83Å; E95-R197 IonicContact OE1-NH2 2.81Å; E95-R197 PolarHBondContact OE1-NH2 2.89Å; E95-R197 IonicContact OE2-NH2 3.46Å; E95-R197 PolarHBondContact OE2-NH2 3.28Å
96I96.6Very high95.7Very high4 Ų432.3 Ų32.32%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-82.8125174.7-61.2175.9000108.8F86 C89 E90 G94 M99 I115 F117F86-I96 HydrophobicContact CD1-CD1 4.44Å; F86-I96 HydrophobicContact CD2-CD1 4.03Å; F86-I96 HydrophobicContact CD2-CG2 4.34Å; F86-I96 HydrophobicContact CE2-CB 4.01Å; F86-I96 HydrophobicContact CE2-CD1 4.13Å; F86-I96 HydrophobicContact CE2-CG2 3.69Å; F86-I96 HydrophobicContact CG-CD1 4.19Å; F86-I96 HydrophobicContact CZ-CB 4.03Å; F86-I96 HydrophobicContact CZ-CD1 4.36Å; F86-I96 HydrophobicContact CZ-CG2 4.21Å; C89-I96 HydrophobicContact CB-CD1 3.89Å; E90-I96 HydrophobicContact CB-CD1 3.96Å; E90-I96 HydrophobicContact CB-CG1 4.24Å; G94-I96 PolarHBondContact O-N 2.92Å; I96-M99 HydrophobicContact CG2-CB 4.13Å; I96-I115 HydrophobicContact CD1-CG2 3.91Å; I96-I115 HydrophobicContact CG1-CG2 3.94Å; I96-I115 HydrophobicContact CG2-CG2 4.04Å; I96-F117 HydrophobicContact CG1-CD1 4.11Å; I96-F117 HydrophobicContact CG1-CE1 3.9Å
97E94.9Very high95.5Very high67 Ų6739.6 Ų39.631%0.31320%0.2SC..EExtended strand (participates in β ladder)trans-80.6-45.6170.7-63.3-162152.500111K116 R118E97-K116 HydrophobicContact CB-CG 4.46Å; E97-K116 PolarHBondContact N-O 2.98Å; E97-R118 HydrophobicContact CG-CB 3.84Å; E97-R118 HydrophobicContact CG-CG 4.37Å; E97-R118 WeakPolarHBondContact OE1-CG 3.33Å; E97-R118 IonicContact OE1-CZ 3.71Å; E97-R118 IonicContact OE1-NH1 2.69Å; E97-R118 PolarHBondContact OE1-NH1 3.38Å
98E95.6Very high95.4Very high74 Ų7439.9 Ų39.935%0.34620%0.199SC..EExtended strand (participates in β ladder)trans-152.5139.7-177-162.4174160.500110.6N100 K116 F150E98-N100 PolarHBondContact OE1-ND2 3.24Å; E98-K116 HydrophobicContact CB-CB 4.44Å; E98-K116 PolarHBondContact N-O 3.22Å; E98-K116 PolarHBondContact O-N 2.8Å; E98-F150 HydrophobicContact CB-CD2 4.4Å; E98-F150 HydrophobicContact CB-CE2 4.18Å; E98-F150 VanDerWaalsContact CD-CD2 3.46Å; E98-F150 HydrophobicContact CG-CD2 4.15Å; E98-F150 HydrophobicContact CG-CE2 4.29Å
99M97.4Very high95.4Very high2 Ų237.4 Ų37.41%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-134130.8174.1172.4176.7161.700109F82 V85 F86 I96 V101 V113 Y114 I115F82-M99 HydrophobicContact CD2-CE 4Å; F82-M99 HydrophobicContact CE1-SD 4.34Å; F82-M99 HydrophobicContact CE2-CB 4.49Å; F82-M99 HydrophobicContact CE2-CE 4.09Å; F82-M99 HydrophobicContact CE2-CG 3.97Å; F82-M99 HydrophobicContact CE2-SD 4.41Å; F82-M99 HydrophobicContact CG-CE 4.22Å; F82-M99 HydrophobicContact CZ-CB 3.97Å; F82-M99 HydrophobicContact CZ-CE 4.39Å; F82-M99 HydrophobicContact CZ-CG 3.85Å; F82-M99 WeakPolarHBondContact CZ-O 3.25Å; F82-M99 HydrophobicContact CZ-SD 4.17Å; V85-M99 HydrophobicContact CB-CE 3.67Å; V85-M99 HydrophobicContact CG1-CE 3.54Å; V85-M99 HydrophobicContact CG1-SD 4.2Å; F86-M99 HydrophobicContact CB-SD 3.78Å; F86-M99 HydrophobicContact CD2-CB 3.95Å; F86-M99 HydrophobicContact CD2-SD 3.83Å; F86-M99 HydrophobicContact CE2-CB 4.32Å; F86-M99 HydrophobicContact CG-SD 4.28Å; I96-M99 HydrophobicContact CG2-CB 4.13Å; M99-V101 HydrophobicContact CE-CG2 4.34Å; M99-V113 HydrophobicContact CE-CG1 3.74Å; M99-V113 HydrophobicContact CG-CG1 4.35Å; M99-Y114 CarbonylContact C-O 3.55Å; M99-Y114 VanDerWaalsContact CA-O 3.29Å; M99-Y114 WeakPolarHBondContact CA-O 3.46Å; M99-I115 HydrophobicContact CG-CG1 4.06Å; M99-I115 HydrophobicContact SD-CD1 4.35Å; M99-I115 HydrophobicContact SD-CG1 4.28Å
100N97.4Very high95.2Very high23 Ų2338.7 Ų38.712%0.12320%0.195CC..EExtended strand (participates in β ladder)trans-135140.5-171.8-75.3-38000110.2E98 V113 Y114 F150 L174E98-N100 PolarHBondContact OE1-ND2 3.24Å; N100-V113 WeakPolarHBondContact O-CA 3.34Å; N100-Y114 PolarHBondContact N-O 3.05Å; N100-Y114 PolarHBondContact O-N 3.17Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.45Å; N100-F150 WeakPolarHBondContact ND2-CG 3.31Å; N100-L174 HydrophobicContact CB-CD1 4.01Å; N100-L174 HydrophobicContact CB-CD2 3.82Å
101V97.4Very high95.2Very high1 Ų138.8 Ų38.81%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-121.4129.7179.2-175.20000109.6Y52 F78 F81 F82 M99 V113 L174 K175Y52-V101 HydrophobicContact CD1-CG1 3.82Å; Y52-V101 HydrophobicContact CG-CG1 3.83Å; F78-V101 HydrophobicContact CE2-CB 3.89Å; F78-V101 HydrophobicContact CE2-CG1 3.95Å; F78-V101 HydrophobicContact CE2-CG2 4.08Å; F78-V101 HydrophobicContact CZ-CB 4.08Å; F78-V101 HydrophobicContact CZ-CG2 4.26Å; F81-V101 HydrophobicContact CE1-CG1 4.33Å; F81-V101 HydrophobicContact CE1-CG2 4.11Å; F82-V101 HydrophobicContact CD2-CG2 3.77Å; F82-V101 HydrophobicContact CE2-CG2 4.09Å; M99-V101 HydrophobicContact CE-CG2 4.34Å; V101-V113 HydrophobicContact CG1-CG2 4.19Å; V101-V113 HydrophobicContact CG2-CG1 4.3Å; V101-V113 HydrophobicContact CG2-CG2 4.1Å; V101-L174 WeakPolarHBondContact O-CA 3.31Å; V101-K175 PolarHBondContact O-N 3.2Å
102C96.6Very high95.3Very high0 Ų034.3 Ų34.30%018%0.176CC..BIsolated β-bridgetrans-86.3126.3179.3-67.80000112.1N104 L109 G111 N112 H173C102-N104 VanDerWaalsContact C-N 3.34Å; C102-L109 WeakPolarHBondContact CB-O 3.46Å; C102-G111 PolarHBondContact O-N 2.92Å; C102-N112 HydrophobicContact CB-CB 4.23Å; C102-N112 PolarHBondContact N-O 3.07Å; C102-H173 CarbonylContact C-O 3.58Å; C102-H173 WeakPolarHBondContact CA-O 3.37Å
103D94.3Very high95.4Very high43 Ų4329.9 Ų29.923%0.2316%0.157CC..  trans-100.426.3171.3-157.144.8000111.3Y158 H173 K175D103-Y158 PolarHBondContact OD2-OH 2.93Å; D103-H173 PolarHBondContact N-O 2.92Å; D103-K175 HydrophobicContact CB-CB 4.13Å; D103-K175 HydrophobicContact CB-CD 4.45Å
104N94.5Very high95.5Very high3 Ų329.2 Ų29.22%0.01615%0.154CC..  trans-66.4149.8175.1-71.681.6000110.3C102 L109 V110 F171 H173C102-N104 VanDerWaalsContact C-N 3.34Å; N104-L109 HydrophobicContact CB-CB 3.46Å; N104-L109 VanDerWaalsContact CB-CB 3.46Å; N104-V110 VanDerWaalsContact O-CA 3.31Å; N104-V110 WeakPolarHBondContact O-CA 3.46Å; N104-V110 WeakPolarHBondContact O-CB 3.49Å; N104-V110 WeakPolarHBondContact O-CG2 3.33Å; N104-F171 PolarHBondContact ND2-O 3.13Å; N104-H173 PolarHBondContact OD1-N 3.38Å
105L91.7Very high95.6Very high116 Ų11628.9 Ų28.961%0.60715%0.15SC*.  trans-91.3-15.4172-62.2175.9000113
106G91.9Very high95.7Very high8 Ų828.8 Ų28.88%0.08215%0.15CC..SBendtrans-80.5137.7-177.800000112H108 L109 V110 G167G106-H108 PolarHBondContact O-N 3.46Å; G106-L109 PolarHBondContact O-N 3.35Å; G106-V110 PolarHBondContact O-N 2.92Å; G106-G167 WeakPolarHBondContact CA-O 3.35Å
107D92.1Very high95.7Very high153 Ų15328.6 Ų28.682%0.81815%0.149SC*.THydrogen-bonded Turntrans-52.6-29.6-172.6-58.4-15.5000115.3
108H94.1Very high95.8Very high35 Ų3530.6 Ų30.616%0.16215%0.153CC..THydrogen-bonded Turntrans-79.3-15.9-178.863-72.2000113.9A26 G106 N112A26-H108 VanDerWaalsContact CB-O 3.29Å; A26-H108 WeakPolarHBondContact CB-O 3.39Å; G106-H108 PolarHBondContact O-N 3.46Å; H108-N112 PolarHBondContact O-ND2 3.04Å
109L95.6Very high95.8Very high0 Ų033.9 Ų33.90%016%0.162CC..THydrogen-bonded Turntrans-127.4-17.6-177-74.7172.9000114.1I24 A26 C102 N104 G106 G111 N112I24-L109 HydrophobicContact CG2-CD2 3.81Å; A26-L109 HydrophobicContact CB-CD2 3.73Å; A26-L109 HydrophobicContact CB-CG 4.36Å; C102-L109 WeakPolarHBondContact CB-O 3.46Å; N104-L109 HydrophobicContact CB-CB 3.46Å; N104-L109 VanDerWaalsContact CB-CB 3.46Å; G106-L109 PolarHBondContact O-N 3.35Å; L109-G111 PolarHBondContact O-N 3.1Å; L109-N112 WeakPolarHBondContact O-CB 3.4Å; L109-N112 PolarHBondContact O-N 2.96Å
110V94.5Very high95.7Very high30 Ų3038 Ų3818%0.18218%0.182CC..THydrogen-bonded Turntrans-55.8124-176.961.80000111N104 G106 N112N104-V110 VanDerWaalsContact O-CA 3.31Å; N104-V110 WeakPolarHBondContact O-CA 3.46Å; N104-V110 WeakPolarHBondContact O-CB 3.49Å; N104-V110 WeakPolarHBondContact O-CG2 3.33Å; G106-V110 PolarHBondContact O-N 2.92Å; V110-N112 PolarHBondContact O-N 3.39Å; V110-N112 VanDerWaalsContact O-N 3.1Å
111G95Very high95.7Very high3 Ų343.2 Ų43.23%0.03121%0.205CC..THydrogen-bonded Turntrans68.78.3175.100000115.6L51 Y52 C102 L109 V113L51-G111 PolarHBondContact N-O 2.88Å; Y52-G111 PolarHBondContact N-O 3.05Å; Y52-G111 WeakPolarHBondContact O-CA 3.22Å; C102-G111 PolarHBondContact O-N 2.92Å; L109-G111 PolarHBondContact O-N 3.1Å; G111-V113 PolarHBondContact O-N 3.24Å
112N97.5Very high95.7Very high7 Ų744.4 Ų44.44%0.03721%0.212CC..  trans-66.7134.3178.9-77.8-0.7000110.8L47 L48 Q49 N50 C102 H108 L109 V110 Y114L47-N112 HydrophobicContact CD1-CB 3.65Å; L48-N112 WeakPolarHBondContact O-CA 3.38Å; Q49-N112 WeakPolarHBondContact CA-OD1 3.21Å; N50-N112 PolarHBondContact N-OD1 3Å; C102-N112 HydrophobicContact CB-CB 4.23Å; C102-N112 PolarHBondContact N-O 3.07Å; H108-N112 PolarHBondContact O-ND2 3.04Å; L109-N112 WeakPolarHBondContact O-CB 3.4Å; L109-N112 PolarHBondContact O-N 2.96Å; V110-N112 PolarHBondContact O-N 3.39Å; V110-N112 VanDerWaalsContact O-N 3.1Å; N112-Y114 HydrophobicContact CB-CD2 4.44Å; N112-Y114 HydrophobicContact CB-CE2 3.73Å
113V98Very high95.8Very high0 Ų044.4 Ų44.40%021%0.212CC..EExtended strand (participates in β ladder)trans-114.3121.8175.3-178.60000108.7L48 L51 F81 V85 M99 N100 V101 G111 I115L48-V113 HydrophobicContact CB-CB 4.17Å; L48-V113 PolarHBondContact N-O 2.9Å; L48-V113 PolarHBondContact O-N 3.3Å; L51-V113 HydrophobicContact CB-CG2 4Å; L51-V113 HydrophobicContact CD2-CG2 4.16Å; F81-V113 HydrophobicContact CE1-CG2 4.1Å; F81-V113 HydrophobicContact CZ-CG2 3.87Å; V85-V113 HydrophobicContact CG1-CG1 4.42Å; M99-V113 HydrophobicContact CE-CG1 3.74Å; M99-V113 HydrophobicContact CG-CG1 4.35Å; N100-V113 WeakPolarHBondContact O-CA 3.34Å; V101-V113 HydrophobicContact CG1-CG2 4.19Å; V101-V113 HydrophobicContact CG2-CG1 4.3Å; V101-V113 HydrophobicContact CG2-CG2 4.1Å; G111-V113 PolarHBondContact O-N 3.24Å; V113-I115 HydrophobicContact CG1-CD1 4.37Å; V113-I115 HydrophobicContact CG1-CG1 4.04Å
114Y98.3Very high95.9Very high0 Ų047 Ų470%022%0.223CC..EExtended strand (participates in β ladder)trans-104.3130.9175.9-64.7-98.6000109.3I24 I46 L47 M99 N100 N112 V147 F150 M172I24-Y114 VanDerWaalsContact O-CE1 3.31Å; I24-Y114 WeakPolarHBondContact O-CE1 2.96Å; I24-Y114 VanDerWaalsContact O-CZ 3.32Å; I24-Y114 PolarHBondContact O-OH 2.93Å; I46-Y114 WeakPolarHBondContact O-CA 3.43Å; L47-Y114 HydrophobicContact CB-CD1 4.36Å; L47-Y114 HydrophobicContact CB-CE1 4.23Å; L47-Y114 HydrophobicContact CD1-CD1 4.19Å; L47-Y114 HydrophobicContact CD1-CD2 4.28Å; L47-Y114 HydrophobicContact CD1-CE1 3.82Å; L47-Y114 HydrophobicContact CD1-CE2 3.88Å; L47-Y114 HydrophobicContact CD1-CG 4.41Å; L47-Y114 HydrophobicContact CD2-CE1 4.3Å; L47-Y114 HydrophobicContact CG-CE1 4.34Å; M99-Y114 CarbonylContact C-O 3.55Å; M99-Y114 VanDerWaalsContact CA-O 3.29Å; M99-Y114 WeakPolarHBondContact CA-O 3.46Å; N100-Y114 PolarHBondContact N-O 3.05Å; N100-Y114 PolarHBondContact O-N 3.17Å; N112-Y114 HydrophobicContact CB-CD2 4.44Å; N112-Y114 HydrophobicContact CB-CE2 3.73Å; Y114-V147 HydrophobicContact CD1-CG2 4.33Å; Y114-V147 HydrophobicContact CE1-CG2 3.98Å; Y114-F150 VanDerWaalsContact CB-CE1 3.42Å; Y114-F150 HydrophobicContact CD1-CE1 4.11Å; Y114-F150 AromaticContact CG-CE1 3.84Å; Y114-F150 HydrophobicContact CG-CE1 3.84Å; Y114-F150 HydrophobicContact CG-CZ 4.48Å; Y114-M172 HydrophobicContact CD1-CE 3.9Å; Y114-M172 HydrophobicContact CD2-CE 3.9Å; Y114-M172 HydrophobicContact CD2-SD 4.17Å; Y114-M172 HydrophobicContact CE1-CE 3.42Å; Y114-M172 VanDerWaalsContact CE1-CE 3.42Å; Y114-M172 HydrophobicContact CE2-CE 3.45Å; Y114-M172 VanDerWaalsContact CE2-CE 3.45Å; Y114-M172 HydrophobicContact CE2-SD 4.03Å; Y114-M172 HydrophobicContact CG-CE 4.12Å; Y114-M172 WeakPolarHBondContact OH-CE 3.36Å
115I98.1Very high96Very high0 Ų052.2 Ų52.20%025%0.245CC..EExtended strand (participates in β ladder)trans-127.5117.1177.9-51.2179.3000107.8T45 I46 L48 V85 C89 I96 M99 V113 F117T45-I115 CarbonylContact C-O 3.59Å; T45-I115 WeakPolarHBondContact CA-O 3.13Å; I46-I115 HydrophobicContact CD1-CB 4.29Å; I46-I115 HydrophobicContact CD1-CD1 4.34Å; I46-I115 HydrophobicContact CG1-CB 3.77Å; I46-I115 HydrophobicContact CG1-CG1 4.4Å; I46-I115 PolarHBondContact N-O 3.01Å; I46-I115 PolarHBondContact O-N 2.83Å; L48-I115 HydrophobicContact CD1-CD1 3.95Å; V85-I115 HydrophobicContact CG1-CD1 4.02Å; C89-I115 HydrophobicContact CB-CD1 4.09Å; C89-I115 VanDerWaalsContact SG-CD1 3.54Å; I96-I115 HydrophobicContact CD1-CG2 3.91Å; I96-I115 HydrophobicContact CG1-CG2 3.94Å; I96-I115 HydrophobicContact CG2-CG2 4.04Å; M99-I115 HydrophobicContact CG-CG1 4.06Å; M99-I115 HydrophobicContact SD-CD1 4.35Å; M99-I115 HydrophobicContact SD-CG1 4.28Å; V113-I115 HydrophobicContact CG1-CD1 4.37Å; V113-I115 HydrophobicContact CG1-CG1 4.04Å; I115-F117 HydrophobicContact CB-CE2 4.33Å; I115-F117 HydrophobicContact CG2-CD2 4.27Å; I115-F117 HydrophobicContact CG2-CE1 4.21Å; I115-F117 HydrophobicContact CG2-CE2 3.82Å; I115-F117 HydrophobicContact CG2-CZ 3.79Å
116K98Very high96.3Very high36 Ų3646.7 Ų46.716%0.15722%0.216CC..EExtended strand (participates in β ladder)trans-99.6111.3173.8-176.7174.6178.4176.90109.4Q44 T45 E97 E98 T148 F150Q44-K116 HydrophobicContact CB-CG 4.29Å; T45-K116 HydrophobicContact CG2-CB 4.43Å; E97-K116 HydrophobicContact CB-CG 4.46Å; E97-K116 PolarHBondContact N-O 2.98Å; E98-K116 HydrophobicContact CB-CB 4.44Å; E98-K116 PolarHBondContact N-O 3.22Å; E98-K116 PolarHBondContact O-N 2.8Å; K116-T148 PolarHBondContact NZ-O 3.19Å; K116-F150 HydrophobicContact CB-CE2 3.93Å; K116-F150 HydrophobicContact CB-CZ 4.4Å; K116-F150 HydrophobicContact CD-CE2 4.32Å
117F97.6Very high96.6Very high0 Ų047.4 Ų47.40%022%0.219CC..EExtended strand (participates in β ladder)trans-82.5160.3173.2-66.5-81.3000111.3Q44 I46 C89 Y93 E95 I96 I115 R119 D122 A123 A126Q44-F117 WeakPolarHBondContact CB-O 3.49Å; Q44-F117 PolarHBondContact O-N 3.02Å; I46-F117 HydrophobicContact CD1-CE2 3.79Å; I46-F117 HydrophobicContact CD1-CZ 4.41Å; I46-F117 HydrophobicContact CG1-CE2 3.95Å; I46-F117 HydrophobicContact CG2-CD2 4.42Å; I46-F117 HydrophobicContact CG2-CE2 4.2Å; C89-F117 HydrophobicContact CB-CE1 4.46Å; C89-F117 HydrophobicContact CB-CZ 4.21Å; Y93-F117 HydrophobicContact CD2-CZ 4.2Å; E95-F117 CarbonylContact O-C 3.57Å; E95-F117 WeakPolarHBondContact O-CA 3.5Å; I96-F117 HydrophobicContact CG1-CD1 4.11Å; I96-F117 HydrophobicContact CG1-CE1 3.9Å; I115-F117 HydrophobicContact CB-CE2 4.33Å; I115-F117 HydrophobicContact CG2-CD2 4.27Å; I115-F117 HydrophobicContact CG2-CE1 4.21Å; I115-F117 HydrophobicContact CG2-CE2 3.82Å; I115-F117 HydrophobicContact CG2-CZ 3.79Å; F117-R119 VanDerWaalsContact C-N 3.32Å; F117-D122 HydrophobicContact CB-CB 4.06Å; F117-D122 HydrophobicContact CD1-CB 4.08Å; F117-D122 HydrophobicContact CG-CB 4.08Å; F117-A123 HydrophobicContact CB-CB 4.5Å; F117-A123 HydrophobicContact CD2-CB 3.76Å; F117-A123 HydrophobicContact CE2-CB 4.49Å; F117-A126 HydrophobicContact CE2-CB 3.75Å; F117-A126 HydrophobicContact CZ-CB 3.81Å
118R95.6Very high96.8Very high109 Ų10945.8 Ų45.841%0.41121%0.206SC..SBendtrans-74.4-24.6175.3-175.1147.2178.884.15.6113.3E95 E97E95-R118 HydrophobicContact CB-CB 4.07Å; E95-R118 HydrophobicContact CG-CB 4.33Å; E95-R118 PolarHBondContact O-N 2.68Å; E95-R118 WeakPolarHBondContact OE2-CD 3.43Å; E97-R118 HydrophobicContact CG-CB 3.84Å; E97-R118 HydrophobicContact CG-CG 4.37Å; E97-R118 WeakPolarHBondContact OE1-CG 3.33Å; E97-R118 IonicContact OE1-CZ 3.71Å; E97-R118 IonicContact OE1-NH1 2.69Å; E97-R118 PolarHBondContact OE1-NH1 3.38Å
119R95.8Very high96.9Very high142 Ų14247 Ų4754%0.53621%0.214SC..SBendtrans-124.4145.8179-56.1179.8178.3-161.10.6109.9F117 E121 D122 A123F117-R119 VanDerWaalsContact C-N 3.32Å; R119-E121 VanDerWaalsContact C-N 3.34Å; R119-E121 IonicContact NH1-OE2 3.97Å; R119-D122 HydrophobicContact CB-CB 4.39Å; R119-D122 WeakPolarHBondContact CB-OD2 3.44Å; R119-D122 PolarHBondContact O-N 3.43Å; R119-A123 PolarHBondContact O-N 2.84Å
120E96.6Very high97Very high90 Ų9047.6 Ų47.642%0.42122%0.217SC..Hα-helixtrans-68.1-36.6176.8-61.617717100111.3G43 Q44 D122 A123 E124G43-E120 WeakPolarHBondContact O-CA 3.46Å; Q44-E120 HydrophobicContact CG-CG 3.62Å; E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 3.28Å; E120-A123 WeakPolarHBondContact O-CB 3.3Å; E120-A123 PolarHBondContact O-N 3.44Å; E120-A123 VanDerWaalsContact O-N 3.14Å; E120-E124 PolarHBondContact O-N 3.26Å
121E96.8Very high97.1Very high131 Ų13149.7 Ų49.761%0.61223%0.227SC*.Hα-helixtrans-56.7-39.4175.2-60.9160177.400112.3R119 K125R119-E121 VanDerWaalsContact C-N 3.34Å; R119-E121 IonicContact NH1-OE2 3.97Å; E121-K125 WeakPolarHBondContact O-CB 3.47Å; E121-K125 PolarHBondContact O-N 3Å; E121-K125 VanDerWaalsContact O-N 3.07Å
122D97.4Very high97.2Very high26 Ų2657.3 Ų57.314%0.13926%0.262CS..Hα-helixtrans-69.3-38-179.2-61.2-20.5000110.3G94 F117 R119 E120 A126G94-D122 WeakPolarHBondContact CA-OD2 3.45Å; F117-D122 HydrophobicContact CB-CB 4.06Å; F117-D122 HydrophobicContact CD1-CB 4.08Å; F117-D122 HydrophobicContact CG-CB 4.08Å; R119-D122 HydrophobicContact CB-CB 4.39Å; R119-D122 WeakPolarHBondContact CB-OD2 3.44Å; R119-D122 PolarHBondContact O-N 3.43Å; E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 3.28Å; D122-A126 WeakPolarHBondContact O-CB 3.46Å; D122-A126 PolarHBondContact O-N 3.25Å
123A97.9Very high97.1Very high0 Ų060.3 Ų60.30%027%0.273CS..Hα-helixtrans-67.3-45.717700000112G43 I46 F117 R119 E120 K125 A126 V127 L144G43-A123 VanDerWaalsContact O-CB 3.24Å; G43-A123 WeakPolarHBondContact O-CB 3.45Å; I46-A123 HydrophobicContact CG2-CB 3.68Å; F117-A123 HydrophobicContact CB-CB 4.5Å; F117-A123 HydrophobicContact CD2-CB 3.76Å; F117-A123 HydrophobicContact CE2-CB 4.49Å; R119-A123 PolarHBondContact O-N 2.84Å; E120-A123 WeakPolarHBondContact O-CB 3.3Å; E120-A123 PolarHBondContact O-N 3.44Å; E120-A123 VanDerWaalsContact O-N 3.14Å; A123-K125 PolarHBondContact O-N 2.51Å; A123-A126 WeakPolarHBondContact O-CB 3.42Å; A123-A126 PolarHBondContact O-N 3.39Å; A123-V127 WeakPolarHBondContact O-CG2 3.45Å; A123-V127 PolarHBondContact O-N 3.44Å; A123-L144 HydrophobicContact CB-CD2 4.2Å
124E96.6Very high96.9Very high99 Ų9968.7 Ų68.746%0.46330%0.304SS..Hα-helixtrans-60.8-46.3177-175.2177.6-169.400111.4E120 A126 V127 Q128E120-E124 PolarHBondContact O-N 3.26Å; E124-A126 VanDerWaalsContact C-N 3.3Å; E124-A126 PolarHBondContact O-N 3.26Å; E124-V127 PolarHBondContact O-N 3.2Å; E124-Q128 WeakPolarHBondContact O-CG 3.22Å; E124-Q128 PolarHBondContact O-N 3.41Å; E124-Q128 VanDerWaalsContact O-N 3.13Å
125K97.1Very high96.7Very high112 Ų11271.2 Ų71.249%0.48732%0.316SS..Hα-helixtrans-58.9-42.1174.7-173.6-170.9176.7-161.10111.8K92 Y93 E121 A123 Q128 D129K92-K125 PolarHBondContact O-NZ 2.91Å; Y93-K125 HydrophobicContact CD1-CD 4.41Å; Y93-K125 HydrophobicContact CD1-CG 4.29Å; E121-K125 WeakPolarHBondContact O-CB 3.47Å; E121-K125 PolarHBondContact O-N 3Å; E121-K125 VanDerWaalsContact O-N 3.07Å; A123-K125 PolarHBondContact O-N 2.51Å; K125-Q128 PolarHBondContact O-N 3.47Å; K125-D129 PolarHBondContact O-N 2.87Å; K125-D129 VanDerWaalsContact O-N 3.12Å
126A97.8Very high96.3Very high0 Ų074.8 Ų74.80%035%0.353CS..Hα-helixtrans-62.1-44.9178.100000111.8I46 Y93 F117 D122 A123 E124 Q128 L130I46-A126 HydrophobicContact CD1-CB 3.94Å; Y93-A126 HydrophobicContact CD1-CB 3.97Å; Y93-A126 HydrophobicContact CD2-CB 3.58Å; Y93-A126 HydrophobicContact CE1-CB 4.45Å; Y93-A126 HydrophobicContact CE2-CB 4.11Å; Y93-A126 HydrophobicContact CG-CB 3.53Å; F117-A126 HydrophobicContact CE2-CB 3.75Å; F117-A126 HydrophobicContact CZ-CB 3.81Å; D122-A126 WeakPolarHBondContact O-CB 3.46Å; D122-A126 PolarHBondContact O-N 3.25Å; A123-A126 WeakPolarHBondContact O-CB 3.42Å; A123-A126 PolarHBondContact O-N 3.39Å; E124-A126 VanDerWaalsContact C-N 3.3Å; E124-A126 PolarHBondContact O-N 3.26Å; A126-Q128 PolarHBondContact O-N 3.49Å; A126-L130 HydrophobicContact CB-CD1 4.18Å; A126-L130 WeakPolarHBondContact O-CB 3.13Å; A126-L130 WeakPolarHBondContact O-CD1 3.39Å; A126-L130 WeakPolarHBondContact O-CG 2.89Å; A126-L130 PolarHBondContact O-N 2.98Å
127V97.5Very high96Very high22 Ų2276.3 Ų76.313%0.13338%0.378CS..Hα-helixtrans-61.5-44.7178.5171.80000111.6I46 A123 E124 N131 L144I46-V127 HydrophobicContact CB-CG2 4.07Å; I46-V127 HydrophobicContact CG2-CG2 3.59Å; A123-V127 WeakPolarHBondContact O-CG2 3.45Å; A123-V127 PolarHBondContact O-N 3.44Å; E124-V127 PolarHBondContact O-N 3.2Å; V127-N131 PolarHBondContact O-N 3.27Å; V127-N131 PolarHBondContact O-ND2 3.4Å; V127-L144 HydrophobicContact CG2-CD2 4.01Å; V127-L144 HydrophobicContact CG2-CG 4.2Å
128Q96.4Very high95.8Very high119 Ų11980.7 Ų80.756%0.55640%0.395SS*.Hα-helixtrans-62.4-49.8-179.5-68.6174.613.300111.5E124 K125 A126E124-Q128 WeakPolarHBondContact O-CG 3.22Å; E124-Q128 PolarHBondContact O-N 3.41Å; E124-Q128 VanDerWaalsContact O-N 3.13Å; K125-Q128 PolarHBondContact O-N 3.47Å; A126-Q128 PolarHBondContact O-N 3.49Å
129D97.2Very high95.8Very high62 Ų6278.4 Ų78.433%0.33239%0.394SS..Hα-helixtrans-72.4-41.5-177.7-174.173.7000112.4Y93 K125 N131 E132 R133Y93-D129 HydrophobicContact CE1-CB 3.66Å; Y93-D129 VanDerWaalsContact CE1-OD2 3.3Å; Y93-D129 WeakPolarHBondContact CE1-OD2 3.37Å; Y93-D129 VanDerWaalsContact CZ-OD2 3.3Å; Y93-D129 PolarHBondContact OH-OD2 3.42Å; K125-D129 PolarHBondContact O-N 2.87Å; K125-D129 VanDerWaalsContact O-N 3.12Å; D129-N131 VanDerWaalsContact C-N 3.33Å; D129-N131 PolarHBondContact O-N 2.86Å; D129-E132 PolarHBondContact O-N 3.47Å; D129-E132 VanDerWaalsContact O-N 3.14Å; D129-R133 WeakPolarHBondContact O-CG 3.17Å
130L97.4Very high95.9Very high11 Ų1172 Ų726%0.05837%0.371CS..Hα-helixtrans-66.6-32.6-176.4-71.9169.8000112.9I46 L48 Y93 A126 E132 R133 V140 A142I46-L130 HydrophobicContact CD1-CD1 3.87Å; L48-L130 HydrophobicContact CD1-CD1 4.29Å; L48-L130 HydrophobicContact CD2-CD1 3.76Å; Y93-L130 HydrophobicContact CE2-CD1 4Å; Y93-L130 HydrophobicContact CE2-CD2 3.97Å; Y93-L130 HydrophobicContact CE2-CG 3.89Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.23Å; Y93-L130 WeakPolarHBondContact OH-CG 3.09Å; A126-L130 HydrophobicContact CB-CD1 4.18Å; A126-L130 WeakPolarHBondContact O-CB 3.13Å; A126-L130 WeakPolarHBondContact O-CD1 3.39Å; A126-L130 WeakPolarHBondContact O-CG 2.89Å; A126-L130 PolarHBondContact O-N 2.98Å; L130-E132 PolarHBondContact O-N 3.48Å; L130-R133 WeakPolarHBondContact O-CB 3.5Å; L130-R133 PolarHBondContact O-N 3.12Å; L130-V140 HydrophobicContact CB-CG1 4.19Å; L130-V140 WeakPolarHBondContact O-CB 3.5Å; L130-A142 HydrophobicContact CB-CB 3.85Å
131N97Very high95.9Very high75 Ų7572.6 Ų72.640%0.40137%0.373SS..THydrogen-bonded Turntrans-66.4-15.4176.1-81.1-56.4000113.6V127 D129 A142V127-N131 PolarHBondContact O-N 3.27Å; V127-N131 PolarHBondContact O-ND2 3.4Å; D129-N131 VanDerWaalsContact C-N 3.33Å; D129-N131 PolarHBondContact O-N 2.86Å; N131-A142 PolarHBondContact ND2-O 2.77Å; N131-A142 PolarHBondContact OD1-N 2.86Å; N131-A142 PolarHBondContact OD1-O 2.84Å
132E95.9Very high95.9Very high163 Ų16366.7 Ų66.776%0.76235%0.347SS*.THydrogen-bonded Turntrans-94.35.2175.5-60.3-175.2169.400112.5D129 L130D129-E132 PolarHBondContact O-N 3.47Å; D129-E132 VanDerWaalsContact O-N 3.14Å; L130-E132 PolarHBondContact O-N 3.48Å
133R95.9Very high95.9Very high69 Ų6966.8 Ų66.826%0.2635%0.347SS..  trans-114.7164.2-171.7-65.8-175.566.7-173.6-0.7113.2E88 Y93 D129 L130 V140E88-R133 IonicContact OE1-CZ 3.08Å; E88-R133 IonicContact OE1-NH1 2.69Å; E88-R133 PolarHBondContact OE1-NH1 3.16Å; E88-R133 IonicContact OE1-NH2 2.64Å; E88-R133 PolarHBondContact OE1-NH2 3.3Å; Y93-R133 PolarHBondContact OH-NH1 2.86Å; D129-R133 WeakPolarHBondContact O-CG 3.17Å; L130-R133 WeakPolarHBondContact O-CB 3.5Å; L130-R133 PolarHBondContact O-N 3.12Å; R133-V140 PolarHBondContact O-N 3.13Å
134W95.1Very high95.9Very high176 Ų17668 Ų6867%0.66735%0.353SS*.EExtended strand (participates in β ladder)trans-120.9143.2179.6-6772.1000110G137 R138W134-G137 WeakPolarHBondContact CZ3-O 3.43Å; W134-R138 CarbonylContact C-O 3.56Å; W134-R138 VanDerWaalsContact CA-O 3.29Å; W134-R138 WeakPolarHBondContact CA-O 3.5Å
135F93.3Very high95.9Very high53 Ų5363.4 Ų63.423%0.23233%0.332CS..EExtended strand (participates in β ladder)trans-137.1126.1176.2-170.2-91.5000109.2L51 F81 E84 V85 G137 R138 V140L51-F135 HydrophobicContact CD1-CB 3.79Å; L51-F135 HydrophobicContact CD1-CD1 3.87Å; L51-F135 HydrophobicContact CD1-CG 3.91Å; L51-F135 HydrophobicContact CG-CD1 4.24Å; F81-F135 AromaticContact CD2-CE1 3.71Å; F81-F135 HydrophobicContact CD2-CE1 3.71Å; F81-F135 AromaticContact CD2-CZ 3.67Å; F81-F135 HydrophobicContact CD2-CZ 3.67Å; F81-F135 HydrophobicContact CE2-CD1 4.44Å; F81-F135 AromaticContact CE2-CE1 3.52Å; F81-F135 HydrophobicContact CE2-CE1 3.52Å; F81-F135 AromaticContact CE2-CZ 3.75Å; F81-F135 HydrophobicContact CE2-CZ 3.75Å; E84-F135 HydrophobicContact CG-CE2 4.36Å; V85-F135 HydrophobicContact CG2-CE2 4.2Å; V85-F135 HydrophobicContact CG2-CZ 4.26Å; F135-G137 PolarHBondContact O-N 3.2Å; F135-R138 PolarHBondContact N-O 3.02Å; F135-R138 PolarHBondContact O-N 2.87Å; F135-V140 HydrophobicContact CB-CG2 3.63Å
136G89.1Confident95.8Very high76 Ų7658.8 Ų58.878%0.78431%0.313SS*.THydrogen-bonded Turntrans56.332.2-178.600000114.6R138G136-R138 VanDerWaalsContact C-N 3.29Å; G136-R138 PolarHBondContact O-N 3.25Å
137G91.5Very high95.7Very high67 Ų6758.9 Ų58.969%0.69131%0.314SS*.THydrogen-bonded Turntrans76.58.9-177.600000115.2W134 F135W134-G137 WeakPolarHBondContact CZ3-O 3.43Å; F135-G137 PolarHBondContact O-N 3.2Å
138R93.8Very high95.5Very high92 Ų9262.7 Ų62.735%0.34734%0.338SS..EExtended strand (participates in β ladder)trans-117.1147177.4-62.1168.766.5-144.21.5110.3N50 I53 W134 F135 G136N50-R138 PolarHBondContact ND2-NH2 3.32Å; N50-R138 PolarHBondContact O-NH1 2.93Å; I53-R138 VanDerWaalsContact CG1-NH1 3.32Å; W134-R138 CarbonylContact C-O 3.56Å; W134-R138 VanDerWaalsContact CA-O 3.29Å; W134-R138 WeakPolarHBondContact CA-O 3.5Å; F135-R138 PolarHBondContact N-O 3.02Å; F135-R138 PolarHBondContact O-N 2.87Å; G136-R138 VanDerWaalsContact C-N 3.29Å; G136-R138 PolarHBondContact O-N 3.25Å
139P95.9Very high95.4Very high61 Ų6159.4 Ų59.440%0.39632%0.324SS..EExtended strand (participates in β ladder)trans-64.7143171.829.2-34.3000109.8
140V97.1Very high95.2Very high8 Ų856.6 Ų56.65%0.04831%0.309CS..  trans-85.2133.2175.2176.40000109L48 L51 L130 R133 F135L48-V140 HydrophobicContact CD2-CG1 4.25Å; L51-V140 HydrophobicContact CD1-CG1 4.31Å; L51-V140 HydrophobicContact CD1-CG2 3.94Å; L130-V140 HydrophobicContact CB-CG1 4.19Å; L130-V140 WeakPolarHBondContact O-CB 3.5Å; R133-V140 PolarHBondContact O-N 3.13Å; F135-V140 HydrophobicContact CB-CG2 3.63Å
141H96.9Very high95Very high102 Ų10264.8 Ų64.847%0.47234%0.339SS..  trans-110.2102.9175.3-66.3-60.3000109.7L48 Q49L48-H141 CarbonylContact C-O 3.6Å; L48-H141 WeakPolarHBondContact CA-O 3.36Å; Q49-H141 HydrophobicContact CB-CB 4.3Å; Q49-H141 PolarHBondContact N-O 2.79Å
142A97.6Very high94.7Very high7 Ų766.7 Ų66.76%0.05835%0.345CS..EExtended strand (participates in β ladder)trans-109.6136.3-178.500000111.1L47 L48 L130 N131L47-A142 CarbonylContact O-C 3.6Å; L47-A142 WeakPolarHBondContact O-CA 3.4Å; L48-A142 HydrophobicContact CD2-CB 3.4Å; L48-A142 VanDerWaalsContact CD2-CB 3.4Å; L130-A142 HydrophobicContact CB-CB 3.85Å; N131-A142 PolarHBondContact ND2-O 2.77Å; N131-A142 PolarHBondContact OD1-N 2.86Å; N131-A142 PolarHBondContact OD1-O 2.84Å
143E97.1Very high94.6Very high29 Ų2958.9 Ų58.914%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-143158.4171.264.1178.3179.300111.9K39 I46 L47 Q49K39-E143 IonicContact NZ-OE2 2.77Å; K39-E143 PolarHBondContact NZ-OE2 2.92Å; I46-E143 CarbonylContact C-O 3.55Å; I46-E143 WeakPolarHBondContact CA-O 3.42Å; L47-E143 HydrophobicContact CB-CG 4.24Å; L47-E143 PolarHBondContact N-O 2.85Å; L47-E143 PolarHBondContact O-N 3.23Å; Q49-E143 VanDerWaalsContact NE2-CD 3.33Å; Q49-E143 PolarHBondContact NE2-OE1 3.44Å
144L97.6Very high94.6Very high24 Ų2456 Ų5613%0.12630%0.299CS..EExtended strand (participates in β ladder)trans-68.8134.9169.8-68.3175.3000109.6P40 I46 A123 V127P40-L144 HydrophobicContact CG-CB 3.99Å; P40-L144 WeakPolarHBondContact O-CD1 3.34Å; I46-L144 HydrophobicContact CG2-CD2 4.18Å; A123-L144 HydrophobicContact CB-CD2 4.2Å; V127-L144 HydrophobicContact CG2-CD2 4.01Å; V127-L144 HydrophobicContact CG2-CG 4.2Å
145S96.8Very high94.7Very high4 Ų447.9 Ų47.93%0.02827%0.269CS..  trans-108.9137.6-177.3-166.50000111T45 V147T45-S145 PolarHBondContact O-N 3.25Å; S145-V147 PolarHBondContact O-N 3.49Å; S145-V147 WeakPolarHBondContact OG-CG2 3.44Å
146P95.4Very high94.7Very high15 Ų1554.2 Ų54.210%0.09729%0.291CS..  trans-72.3-6.7175.432-37.7000113.4Y21 P40 T148Y21-P146 HydrophobicContact CD1-CG 4.18Å; Y21-P146 HydrophobicContact CE1-CG 3.88Å; Y21-P146 WeakPolarHBondContact O-CG 3.33Å; P40-P146 HydrophobicContact CG-CB 4.47Å; P146-T148 PolarHBondContact O-N 3.1Å
147V95.7Very high95Very high1 Ų154.3 Ų54.31%0.00627%0.271CS..  trans-65.7120.4-175.9-177.40000110.7I24 G25 T45 Y114 S145 F150 A153 M172I24-V147 WeakPolarHBondContact O-CG2 3.35Å; G25-V147 VanDerWaalsContact N-CG2 3.35Å; T45-V147 WeakPolarHBondContact CB-O 3.1Å; T45-V147 HydrophobicContact CG2-CB 4.37Å; T45-V147 PolarHBondContact OG1-O 3.33Å; Y114-V147 HydrophobicContact CD1-CG2 4.33Å; Y114-V147 HydrophobicContact CE1-CG2 3.98Å; S145-V147 PolarHBondContact O-N 3.49Å; S145-V147 WeakPolarHBondContact OG-CG2 3.44Å; V147-F150 HydrophobicContact CG1-CD1 3.84Å; V147-F150 HydrophobicContact CG1-CE1 3.76Å; V147-F150 HydrophobicContact CG1-CZ 4.4Å; V147-A153 HydrophobicContact CG1-CB 4.49Å; V147-M172 HydrophobicContact CG1-CE 4.44Å; V147-M172 HydrophobicContact CG2-CE 4.11Å
148T92.7Very high95.1Very high103 Ų10354.1 Ų54.163%0.63225%0.25SS*.  trans-111-35.1179.549.70000113.2K116 P146K116-T148 PolarHBondContact NZ-O 3.19Å; P146-T148 PolarHBondContact O-N 3.1Å
149D93.5Very high94.9Very high49 Ų4956 Ų5626%0.26226%0.263SS..  trans-126.5109.1177.9-168.3-16.4000110.6R151 E152D149-R151 PolarHBondContact O-N 3.01Å; D149-R151 VanDerWaalsContact OD1-CB 3.23Å; D149-R151 WeakPolarHBondContact OD1-CB 3.47Å; D149-R151 WeakPolarHBondContact OD1-CG 3.11Å; D149-R151 IonicContact OD1-CZ 3.89Å; D149-R151 PolarHBondContact OD1-N 2.99Å; D149-R151 IonicContact OD1-NE 3.02Å; D149-R151 PolarHBondContact OD1-NE 3.07Å; D149-R151 IonicContact OD1-NH2 3.87Å; D149-R151 IonicContact OD2-CZ 3.41Å; D149-R151 IonicContact OD2-NE 3.25Å; D149-R151 PolarHBondContact OD2-NE 3.3Å; D149-R151 IonicContact OD2-NH2 2.73Å; D149-R151 PolarHBondContact OD2-NH2 2.66Å; D149-E152 HydrophobicContact CB-CG 4.47Å; D149-E152 PolarHBondContact O-N 3.24Å
150F94.6Very high94.8Very high4 Ų459.1 Ų59.12%0.01828%0.275CS..Hα-helixtrans-64.1-26.2178.6-69.5-70000112.7T45 E98 N100 Y114 K116 V147 E152 A153 C154 M172T45-F150 HydrophobicContact CG2-CZ 3.9Å; E98-F150 HydrophobicContact CB-CD2 4.4Å; E98-F150 HydrophobicContact CB-CE2 4.18Å; E98-F150 VanDerWaalsContact CD-CD2 3.46Å; E98-F150 HydrophobicContact CG-CD2 4.15Å; E98-F150 HydrophobicContact CG-CE2 4.29Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.45Å; N100-F150 WeakPolarHBondContact ND2-CG 3.31Å; Y114-F150 VanDerWaalsContact CB-CE1 3.42Å; Y114-F150 HydrophobicContact CD1-CE1 4.11Å; Y114-F150 AromaticContact CG-CE1 3.84Å; Y114-F150 HydrophobicContact CG-CE1 3.84Å; Y114-F150 HydrophobicContact CG-CZ 4.48Å; K116-F150 HydrophobicContact CB-CE2 3.93Å; K116-F150 HydrophobicContact CB-CZ 4.4Å; K116-F150 HydrophobicContact CD-CE2 4.32Å; V147-F150 HydrophobicContact CG1-CD1 3.84Å; V147-F150 HydrophobicContact CG1-CE1 3.76Å; V147-F150 HydrophobicContact CG1-CZ 4.4Å; F150-E152 PolarHBondContact O-N 2.93Å; F150-A153 PolarHBondContact O-N 3.08Å; F150-C154 PolarHBondContact O-N 3.49Å; F150-C154 PolarHBondContact O-SG 3.33Å; F150-M172 HydrophobicContact CD1-CE 4.48Å; F150-M172 HydrophobicContact CD1-SD 4.06Å; F150-M172 HydrophobicContact CE1-SD 4.49Å
151R93.2Very high94.5Very high182 Ų18262 Ų6269%0.68731%0.307SS*.Hα-helixtrans-65.2-27-179.4-57.8174.2-64173.73.6112.6D149D149-R151 PolarHBondContact O-N 3.01Å; D149-R151 VanDerWaalsContact OD1-CB 3.23Å; D149-R151 WeakPolarHBondContact OD1-CB 3.47Å; D149-R151 WeakPolarHBondContact OD1-CG 3.11Å; D149-R151 IonicContact OD1-CZ 3.89Å; D149-R151 PolarHBondContact OD1-N 2.99Å; D149-R151 IonicContact OD1-NE 3.02Å; D149-R151 PolarHBondContact OD1-NE 3.07Å; D149-R151 IonicContact OD1-NH2 3.87Å; D149-R151 IonicContact OD2-CZ 3.41Å; D149-R151 IonicContact OD2-NE 3.25Å; D149-R151 PolarHBondContact OD2-NE 3.3Å; D149-R151 IonicContact OD2-NH2 2.73Å; D149-R151 PolarHBondContact OD2-NH2 2.66Å
152E90.7Very high94.3Very high115 Ų11563.1 Ų63.154%0.53731%0.313SS..Hα-helixtrans-83.2-24174.1-62.4-156.2158.500112.8D149 F150D149-E152 HydrophobicContact CB-CG 4.47Å; D149-E152 PolarHBondContact O-N 3.24Å; F150-E152 PolarHBondContact O-N 2.93Å
153A93.9Very high94.2Very high0 Ų064 Ų640%032%0.318CS..Hα-helixtrans-85.9-25.3179.500000113.2K23 I24 V147 F150 M172K23-A153 WeakPolarHBondContact O-CB 3.16Å; I24-A153 HydrophobicContact CG1-CB 4.36Å; V147-A153 HydrophobicContact CG1-CB 4.49Å; F150-A153 PolarHBondContact O-N 3.08Å; A153-M172 HydrophobicContact CB-CE 3.77Å; A153-M172 HydrophobicContact CB-CG 4.14Å; A153-M172 HydrophobicContact CB-SD 3.74Å; A153-M172 PolarHBondContact O-N 3.32Å
154C95.3Very high94Very high9 Ų969 Ų696%0.06135%0.351CS..BIsolated β-bridgetrans-73.5144.5-176.6-690000113.4F150 R156 E159 L174F150-C154 PolarHBondContact O-N 3.49Å; F150-C154 PolarHBondContact O-SG 3.33Å; C154-R156 PolarHBondContact O-N 2.79Å; C154-E159 WeakPolarHBondContact CB-OE1 3.13Å; C154-L174 WeakPolarHBondContact SG-CD1 3.34Å
155C96.2Very high93.8Very high4 Ų473.2 Ų73.23%0.02737%0.365CS..  trans-79.2102.1173.1-176.30000109.9Q157 Y158 E159 C163 C169 F171 M172 H173C155-Q157 PolarHBondContact O-N 3.22Å; C155-Y158 WeakPolarHBondContact O-CA 3.5Å; C155-Y158 WeakPolarHBondContact O-CB 3.39Å; C155-Y158 PolarHBondContact O-N 2.84Å; C155-Y158 PolarHBondContact SG-N 3.37Å; C155-E159 PolarHBondContact O-N 2.86Å; C155-E159 VanDerWaalsContact O-N 3.07Å; C155-C163 VanDerWaalsContact SG-SG 3.7Å; C155-C169 VanDerWaalsContact SG-SG 3.69Å; C155-F171 HydrophobicContact CB-CB 3.61Å; C155-M172 PolarHBondContact N-O 3.14Å; C155-H173 VanDerWaalsContact CB-CD2 3.45Å; C155-H173 WeakPolarHBondContact CB-CD2 3.48Å
156R94Very high93.5Very high187 Ų18774.5 Ų74.571%0.70638%0.379SS*.Hα-helixtrans-55.8-34.3177.2-63-176.6-176174.60.8113.5C154 Y158 L160C154-R156 PolarHBondContact O-N 2.79Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-L160 WeakPolarHBondContact O-CG 3.39Å; R156-L160 PolarHBondContact O-N 3.23Å
157Q94.7Very high93.3Very high78 Ų7875.2 Ų75.236%0.36439%0.389SS..Hα-helixtrans-68.7-33.3176.6-61.8-176.5-67.700111.5C155 L160 G161 E162 C163C155-Q157 PolarHBondContact O-N 3.22Å; Q157-L160 PolarHBondContact O-N 2.95Å; Q157-G161 PolarHBondContact O-N 3.11Å; Q157-E162 WeakPolarHBondContact O-CA 3.38Å; Q157-E162 PolarHBondContact O-N 2.82Å; Q157-C163 HydrophobicContact CB-CB 4.06Å; Q157-C163 PolarHBondContact O-N 2.73Å
158Y93.9Very high93.2Very high63 Ų6383.8 Ų83.825%0.24743%0.426CS..Hα-helixtrans-73.4-38.7177.4-177.2-94.4000111.5D103 C155 R156 L160 G161 C163 H173 L174D103-Y158 PolarHBondContact OD2-OH 2.93Å; C155-Y158 WeakPolarHBondContact O-CA 3.5Å; C155-Y158 WeakPolarHBondContact O-CB 3.39Å; C155-Y158 PolarHBondContact O-N 2.84Å; C155-Y158 PolarHBondContact SG-N 3.37Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; Y158-L160 PolarHBondContact O-N 3.33Å; Y158-G161 PolarHBondContact O-N 3.03Å; Y158-C163 HydrophobicContact CD2-CB 4.34Å; Y158-H173 HydrophobicContact CD1-CB 3.75Å; Y158-H173 AromaticContact CD1-CG 4Å; Y158-H173 HydrophobicContact CD2-CB 3.81Å; Y158-H173 AromaticContact CD2-CD2 3.8Å; Y158-H173 AromaticContact CD2-CE1 3.59Å; Y158-H173 AromaticContact CD2-CG 3.36Å; Y158-H173 AromaticContact CD2-ND1 3.22Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.34Å; Y158-H173 AromaticContact CD2-NE2 3.93Å; Y158-H173 HydrophobicContact CE1-CB 3.74Å; Y158-H173 HydrophobicContact CE2-CB 3.79Å; Y158-H173 AromaticContact CE2-CG 3.75Å; Y158-H173 AromaticContact CE2-ND1 3.53Å; Y158-H173 HydrophobicContact CG-CB 3.77Å; Y158-H173 AromaticContact CG-CD2 3.61Å; Y158-H173 AromaticContact CG-CG 3.48Å; Y158-H173 VanDerWaalsContact CG-CG 3.48Å; Y158-H173 AromaticContact CG-ND1 3.85Å; Y158-L174 WeakPolarHBondContact CE1-O 3.21Å
159E91Very high93.3Very high130 Ų13078.9 Ų78.961%0.60740%0.396SS*.Hα-helixtrans-56.6-30.9172.4-69175.8-172.700112.4C154 C155C154-E159 WeakPolarHBondContact CB-OE1 3.13Å; C155-E159 PolarHBondContact O-N 2.86Å; C155-E159 VanDerWaalsContact O-N 3.07Å
160L92.5Very high93.4Very high127 Ų12777.5 Ų77.567%0.66539%0.389SS*.THydrogen-bonded Turntrans-88.4-4.7175.5-62.5174.7000113.9R156 Q157 Y158 E162R156-L160 WeakPolarHBondContact O-CG 3.39Å; R156-L160 PolarHBondContact O-N 3.23Å; Q157-L160 PolarHBondContact O-N 2.95Å; Y158-L160 PolarHBondContact O-N 3.33Å; L160-E162 HydrophobicContact CB-CG 4.34Å
161G91.2Very high93.5Very high69 Ų6980 Ų8071%0.71140%0.4SS*.THydrogen-bonded Turntrans7915.3-177.500000115.1Q157 Y158Q157-G161 PolarHBondContact O-N 3.11Å; Y158-G161 PolarHBondContact O-N 3.03Å
162E93.7Very high93.6Very high126 Ų12671.3 Ų71.359%0.58937%0.367SS*.  trans-114.95.2-169.7-61.7179.1171.100113.6Q157 L160 T164Q157-E162 WeakPolarHBondContact O-CA 3.38Å; Q157-E162 PolarHBondContact O-N 2.82Å; L160-E162 HydrophobicContact CB-CG 4.34Å; E162-T164 PolarHBondContact O-N 2.92Å
163C94.5Very high93.9Very high25 Ų2566.3 Ų66.317%0.16934%0.344CS..  trans-71.8104.4-179.1-1720000111.6C155 Q157 Y158 R165 H173C155-C163 VanDerWaalsContact SG-SG 3.7Å; Q157-C163 HydrophobicContact CB-CB 4.06Å; Q157-C163 PolarHBondContact O-N 2.73Å; Y158-C163 HydrophobicContact CD2-CB 4.34Å; C163-R165 VanDerWaalsContact C-N 3.35Å; C163-H173 VanDerWaalsContact SG-CE1 3.51Å; C163-H173 PolarHBondContact SG-NE2 3.4Å
164T93.8Very high94Very high135 Ų13568.1 Ų68.183%0.82835%0.353SS*.THydrogen-bonded Turntrans-89.74.2177.955.60000114E162 G166E162-T164 PolarHBondContact O-N 2.92Å; T164-G166 VanDerWaalsContact C-N 3.29Å; T164-G166 PolarHBondContact O-N 3.32Å
165R92.8Very high93.9Very high111 Ų11169.1 Ų69.142%0.41936%0.357SS..THydrogen-bonded Turntrans-76.7-13.6-175.5-59.3-179.2-166.8-170.14113.7C163 G167 F168 C169C163-R165 VanDerWaalsContact C-N 3.35Å; R165-G167 PolarHBondContact O-N 2.8Å; R165-F168 WeakPolarHBondContact O-CB 3.48Å; R165-F168 PolarHBondContact O-N 2.94Å; R165-C169 HydrophobicContact CB-CB 3.86Å
166G90.1Very high93.8Very high32 Ų3273.2 Ų73.233%0.3338%0.383SS..G310 helixtrans51.5-131.6-178.400000112.3T164 F168 C169T164-G166 VanDerWaalsContact C-N 3.29Å; T164-G166 PolarHBondContact O-N 3.32Å; G166-F168 PolarHBondContact O-N 2.99Å; G166-C169 PolarHBondContact O-N 3.07Å
167G90.3Very high93.9Very high29 Ų2966 Ų6630%0.29936%0.358SS..G310 helixtrans-67.4-9.3176.900000115.6G106 R165G106-G167 WeakPolarHBondContact CA-O 3.35Å; R165-G167 PolarHBondContact O-N 2.8Å
168F94Very high93.9Very high181 Ų18163.8 Ų63.879%0.79435%0.351SS*.G310 helixtrans-90.1-1.6177-55.4-75.2000113.2R165 G166 N170R165-F168 WeakPolarHBondContact O-CB 3.48Å; R165-F168 PolarHBondContact O-N 2.94Å; G166-F168 PolarHBondContact O-N 2.99Å; F168-N170 PolarHBondContact O-N 3.21Å
169C95.9Very high93.9Very high0 Ų071.7 Ų71.70%038%0.381CS..  trans-71.3122.5173.5-162.50000110.3C155 R165 G166 H173C155-C169 VanDerWaalsContact SG-SG 3.69Å; R165-C169 HydrophobicContact CB-CB 3.86Å; G166-C169 PolarHBondContact O-N 3.07Å; C169-H173 WeakPolarHBondContact CB-NE2 3.32Å; C169-H173 PolarHBondContact SG-NE2 3.28Å
170N94.9Very high94Very high20 Ų2073.4 Ų73.411%0.10739%0.389CS..  trans-90.9-1.6176.5-51.4-57.3000112.9F20 I24 R28 F168F20-N170 HydrophobicContact CD1-CB 3.88Å; F20-N170 HydrophobicContact CE1-CB 3.68Å; F20-N170 HydrophobicContact CZ-CB 4.35Å; I24-N170 WeakPolarHBondContact CD1-O 3.46Å; R28-N170 WeakPolarHBondContact CD-OD1 3.43Å; F168-N170 PolarHBondContact O-N 3.21Å
171F95.9Very high94.1Very high56 Ų5667.8 Ų67.825%0.24636%0.359CS..SBendtrans-99.4153.6177.9-69.4-89.3000110.4F20 I24 N104 C155 H173F20-F171 HydrophobicContact CE1-CE2 4.34Å; F20-F171 HydrophobicContact CE1-CZ 4.41Å; I24-F171 HydrophobicContact CD1-CD1 4.1Å; I24-F171 HydrophobicContact CD1-CE1 4.49Å; I24-F171 HydrophobicContact CD1-CG 4.47Å; N104-F171 PolarHBondContact ND2-O 3.13Å; C155-F171 HydrophobicContact CB-CB 3.61Å; F171-H173 PolarHBondContact O-N 2.81Å
172M96.7Very high94.3Very high1 Ų166.9 Ų66.91%0.00534%0.341CS..BIsolated β-bridgetrans-66.1124.5-177.5-58.2-177.6178.300110.9I24 Y114 V147 F150 A153 C155 L174I24-M172 HydrophobicContact CB-CE 4.47Å; I24-M172 HydrophobicContact CG2-CE 3.73Å; I24-M172 HydrophobicContact CG2-CG 3.85Å; I24-M172 WeakPolarHBondContact O-CE 3.37Å; Y114-M172 HydrophobicContact CD1-CE 3.9Å; Y114-M172 HydrophobicContact CD2-CE 3.9Å; Y114-M172 HydrophobicContact CD2-SD 4.17Å; Y114-M172 HydrophobicContact CE1-CE 3.42Å; Y114-M172 VanDerWaalsContact CE1-CE 3.42Å; Y114-M172 HydrophobicContact CE2-CE 3.45Å; Y114-M172 VanDerWaalsContact CE2-CE 3.45Å; Y114-M172 HydrophobicContact CE2-SD 4.03Å; Y114-M172 HydrophobicContact CG-CE 4.12Å; Y114-M172 WeakPolarHBondContact OH-CE 3.36Å; V147-M172 HydrophobicContact CG1-CE 4.44Å; V147-M172 HydrophobicContact CG2-CE 4.11Å; F150-M172 HydrophobicContact CD1-CE 4.48Å; F150-M172 HydrophobicContact CD1-SD 4.06Å; F150-M172 HydrophobicContact CE1-SD 4.49Å; A153-M172 HydrophobicContact CB-CE 3.77Å; A153-M172 HydrophobicContact CB-CG 4.14Å; A153-M172 HydrophobicContact CB-SD 3.74Å; A153-M172 PolarHBondContact O-N 3.32Å; C155-M172 PolarHBondContact N-O 3.14Å; M172-L174 HydrophobicContact CB-CD2 3.8Å; M172-L174 HydrophobicContact CB-CG 4.33Å; M172-L174 HydrophobicContact SD-CD2 4.33Å
173H96.5Very high94.2Very high10 Ų1069.7 Ų69.75%0.04635%0.347CS..  trans-93.896.2167.1-73.1-169.4000107.3C102 D103 N104 C155 Y158 C163 C169 F171C102-H173 CarbonylContact C-O 3.58Å; C102-H173 WeakPolarHBondContact CA-O 3.37Å; D103-H173 PolarHBondContact N-O 2.92Å; N104-H173 PolarHBondContact OD1-N 3.38Å; C155-H173 VanDerWaalsContact CB-CD2 3.45Å; C155-H173 WeakPolarHBondContact CB-CD2 3.48Å; Y158-H173 HydrophobicContact CD1-CB 3.75Å; Y158-H173 AromaticContact CD1-CG 4Å; Y158-H173 HydrophobicContact CD2-CB 3.81Å; Y158-H173 AromaticContact CD2-CD2 3.8Å; Y158-H173 AromaticContact CD2-CE1 3.59Å; Y158-H173 AromaticContact CD2-CG 3.36Å; Y158-H173 AromaticContact CD2-ND1 3.22Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.34Å; Y158-H173 AromaticContact CD2-NE2 3.93Å; Y158-H173 HydrophobicContact CE1-CB 3.74Å; Y158-H173 HydrophobicContact CE2-CB 3.79Å; Y158-H173 AromaticContact CE2-CG 3.75Å; Y158-H173 AromaticContact CE2-ND1 3.53Å; Y158-H173 HydrophobicContact CG-CB 3.77Å; Y158-H173 AromaticContact CG-CD2 3.61Å; Y158-H173 AromaticContact CG-CG 3.48Å; Y158-H173 VanDerWaalsContact CG-CG 3.48Å; Y158-H173 AromaticContact CG-ND1 3.85Å; C163-H173 VanDerWaalsContact SG-CE1 3.51Å; C163-H173 PolarHBondContact SG-NE2 3.4Å; C169-H173 WeakPolarHBondContact CB-NE2 3.32Å; C169-H173 PolarHBondContact SG-NE2 3.28Å; F171-H173 PolarHBondContact O-N 2.81Å
174L95.6Very high94.2Very high38 Ų3873.8 Ų73.820%0.19936%0.362CS..BIsolated β-bridgetrans-81.7124.3-174.5-62.8-168.3000111.7N100 V101 C154 Y158 M172 P176N100-L174 HydrophobicContact CB-CD1 4.01Å; N100-L174 HydrophobicContact CB-CD2 3.82Å; V101-L174 WeakPolarHBondContact O-CA 3.31Å; C154-L174 WeakPolarHBondContact SG-CD1 3.34Å; Y158-L174 WeakPolarHBondContact CE1-O 3.21Å; M172-L174 HydrophobicContact CB-CD2 3.8Å; M172-L174 HydrophobicContact CB-CG 4.33Å; M172-L174 HydrophobicContact SD-CD2 4.33Å; L174-P176 WeakPolarHBondContact O-CD 3.27Å
175K94.3Very high94.2Very high30 Ų3067.4 Ų67.413%0.1332%0.322CS..PPolyproline II helixtrans-77120.9175.4-164.1162.7177.4168.50110.4Y52 F78 V101 D103Y52-K175 HydrophobicContact CE1-CD 4.2Å; Y52-K175 PolarHBondContact OH-NZ 3.28Å; F78-K175 HydrophobicContact CD1-CD 3.98Å; F78-K175 HydrophobicContact CD1-CG 3.9Å; F78-K175 HydrophobicContact CD2-CD 3.66Å; F78-K175 HydrophobicContact CD2-CG 4.26Å; F78-K175 HydrophobicContact CE1-CB 3.92Å; F78-K175 HydrophobicContact CE1-CD 4.08Å; F78-K175 HydrophobicContact CE1-CG 3.61Å; F78-K175 HydrophobicContact CE2-CB 3.95Å; F78-K175 HydrophobicContact CE2-CD 3.75Å; F78-K175 HydrophobicContact CE2-CG 4Å; F78-K175 HydrophobicContact CG-CD 3.77Å; F78-K175 HydrophobicContact CG-CG 4.2Å; F78-K175 HydrophobicContact CZ-CB 3.53Å; F78-K175 HydrophobicContact CZ-CD 3.97Å; F78-K175 HydrophobicContact CZ-CG 3.67Å; F78-K175 WeakPolarHBondContact CZ-O 3.29Å; V101-K175 PolarHBondContact O-N 3.2Å; D103-K175 HydrophobicContact CB-CB 4.13Å; D103-K175 HydrophobicContact CB-CD 4.45Å
176P94Very high94Very high90 Ų9065.4 Ų65.458%0.58432%0.315SS*.PPolyproline II helixtrans-74135.9-179.529.7-34.1000111.5Q75 F78 L174Q75-P176 PolarHBondContact NE2-O 2.95Å; Q75-P176 VanDerWaalsContact NE2-O 3.07Å; F78-P176 WeakPolarHBondContact CE1-O 3.45Å; L174-P176 WeakPolarHBondContact O-CD 3.27Å
177I95Very high94Very high34 Ų3467.3 Ų67.317%0.17432%0.318CS..PPolyproline II helixtrans-80.6159.1168.457.8174.4000111.1F78 F82 L181 C182F78-I177 HydrophobicContact CD1-CG2 4.47Å; F78-I177 HydrophobicContact CE1-CB 4.5Å; F78-I177 HydrophobicContact CE1-CG2 3.64Å; F78-I177 HydrophobicContact CZ-CG2 4.15Å; F82-I177 HydrophobicContact CB-CG2 3.95Å; F82-I177 HydrophobicContact CD1-CD1 4.37Å; F82-I177 HydrophobicContact CD1-CG2 3.77Å; F82-I177 HydrophobicContact CD2-CG2 3.37Å; F82-I177 HydrophobicContact CE1-CD1 3.93Å; F82-I177 HydrophobicContact CE1-CG2 4.08Å; F82-I177 HydrophobicContact CE2-CG2 3.7Å; F82-I177 HydrophobicContact CG-CG2 3.41Å; F82-I177 VanDerWaalsContact CG-CG2 3.41Å; F82-I177 HydrophobicContact CZ-CD1 4.16Å; F82-I177 HydrophobicContact CZ-CG2 4.04Å; I177-L181 HydrophobicContact CB-CD2 4.29Å; I177-L181 HydrophobicContact CG2-CD2 4.33Å; I177-C182 HydrophobicContact CD1-CB 3.56Å; I177-C182 HydrophobicContact CG1-CB 3.96Å
178S94.9Very high94Very high33 Ų3369.1 Ų69.123%0.23132%0.316CS..PPolyproline II helixtrans-60.4147.8172.970.70000111.9D79 E180 L181 C182D79-S178 PolarHBondContact OD1-N 3.37Å; D79-S178 WeakPolarHBondContact OD2-CB 3.36Å; D79-S178 PolarHBondContact OD2-OG 3.18Å; S178-E180 PolarHBondContact O-N 3.48Å; S178-L181 PolarHBondContact O-N 3.29Å; S178-L181 VanDerWaalsContact OG-CB 3.29Å; S178-L181 WeakPolarHBondContact OG-CB 3.48Å; S178-L181 PolarHBondContact OG-N 3.45Å; S178-C182 WeakPolarHBondContact O-CB 3.29Å; S178-C182 PolarHBondContact O-N 2.81Å
179R93.9Very high93.6Very high229 Ų22960.9 Ų60.986%0.86428%0.28SS*.Hα-helixtrans-58.9-33.7177.8-67.5-176.8176.6-170.2-1.4112R183R179-R183 VanDerWaalsContact O-CB 3.3Å; R179-R183 WeakPolarHBondContact O-CB 3.35Å; R179-R183 PolarHBondContact O-N 3.06Å
180E94.3Very high93.2Very high165 Ų16568.1 Ų68.177%0.77131%0.312SS*.Hα-helixtrans-67.7-47.2177.9-63.2-173.9179.800111.2S178 R183 K184S178-E180 PolarHBondContact O-N 3.48Å; E180-R183 PolarHBondContact O-N 2.99Å; E180-K184 WeakPolarHBondContact O-CB 3.49Å; E180-K184 PolarHBondContact O-N 3.22Å
181L94.5Very high92.9Very high9 Ų974.6 Ų74.65%0.04734%0.339CS..Hα-helixtrans-63.3-47177-179.161000111.6D79 F82 E83 I177 S178 R183 K184 L185D79-L181 HydrophobicContact CB-CD2 3.71Å; D79-L181 WeakPolarHBondContact O-CD2 3.49Å; F82-L181 HydrophobicContact CB-CD2 4.26Å; F82-L181 HydrophobicContact CD1-CD2 4.23Å; E83-L181 HydrophobicContact CB-CD1 3.91Å; E83-L181 HydrophobicContact CB-CD2 4.47Å; E83-L181 HydrophobicContact CG-CD1 4.3Å; I177-L181 HydrophobicContact CB-CD2 4.29Å; I177-L181 HydrophobicContact CG2-CD2 4.33Å; S178-L181 PolarHBondContact O-N 3.29Å; S178-L181 VanDerWaalsContact OG-CB 3.29Å; S178-L181 WeakPolarHBondContact OG-CB 3.48Å; S178-L181 PolarHBondContact OG-N 3.45Å; L181-R183 VanDerWaalsContact C-N 3.3Å; L181-R183 PolarHBondContact O-N 2.93Å; L181-K184 HydrophobicContact CD1-CD 4.41Å; L181-K184 WeakPolarHBondContact O-CB 3.39Å; L181-K184 PolarHBondContact O-N 3.04Å; L181-L185 HydrophobicContact CD1-CD1 3.74Å; L181-L185 HydrophobicContact CD1-CD2 4.2Å; L181-L185 HydrophobicContact CD1-CG 3.73Å; L181-L185 HydrophobicContact CD2-CD1 4.37Å; L181-L185 HydrophobicContact CG-CD1 3.81Å; L181-L185 HydrophobicContact CG-CG 4.19Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.42Å
182C93.7Very high92.5Very high50 Ų5077 Ų7734%0.33835%0.347SS..Hα-helixtrans-52.7-50.7175.1-1790000111I177 S178 K184 Y186I177-C182 HydrophobicContact CD1-CB 3.56Å; I177-C182 HydrophobicContact CG1-CB 3.96Å; S178-C182 WeakPolarHBondContact O-CB 3.29Å; S178-C182 PolarHBondContact O-N 2.81Å; C182-K184 VanDerWaalsContact C-N 3.34Å; C182-K184 PolarHBondContact O-N 3.06Å; C182-Y186 WeakPolarHBondContact O-CD2 3.49Å; C182-Y186 PolarHBondContact O-N 3.37Å; C182-Y186 VanDerWaalsContact O-N 3.14Å
183R93Very high92Very high185 Ų18578.2 Ų78.270%0.69835%0.351SS*.Hα-helixtrans-62.3-39.1177.5-177.7-178.9144173.2-8.5112R179 E180 L181 N187R179-R183 VanDerWaalsContact O-CB 3.3Å; R179-R183 WeakPolarHBondContact O-CB 3.35Å; R179-R183 PolarHBondContact O-N 3.06Å; E180-R183 PolarHBondContact O-N 2.99Å; L181-R183 VanDerWaalsContact C-N 3.3Å; L181-R183 PolarHBondContact O-N 2.93Å; R183-N187 WeakPolarHBondContact CG-ND2 3.43Å; R183-N187 WeakPolarHBondContact O-CB 3.31Å; R183-N187 PolarHBondContact O-N 2.87Å; R183-N187 PolarHBondContact O-ND2 3.32Å
184K93.7Very high90.9Very high112 Ų11279 Ų7949%0.48736%0.363SS..Hα-helixtrans-63.4-54179.7-179.2-173.5177.5-168.90111E83 E180 L181 C182 R188E83-K184 WeakPolarHBondContact OE1-CE 3.49Å; E83-K184 IonicContact OE1-NZ 2.67Å; E83-K184 PolarHBondContact OE1-NZ 3.02Å; E83-K184 IonicContact OE2-NZ 2.8Å; E83-K184 PolarHBondContact OE2-NZ 2.88Å; E180-K184 WeakPolarHBondContact O-CB 3.49Å; E180-K184 PolarHBondContact O-N 3.22Å; L181-K184 HydrophobicContact CD1-CD 4.41Å; L181-K184 WeakPolarHBondContact O-CB 3.39Å; L181-K184 PolarHBondContact O-N 3.04Å; C182-K184 VanDerWaalsContact C-N 3.34Å; C182-K184 PolarHBondContact O-N 3.06Å; K184-R188 WeakPolarHBondContact O-CB 3.47Å; K184-R188 PolarHBondContact O-N 3.22Å
185L93.2Very high89.2Confident0 Ų087 Ų870%039%0.39CS..Hα-helixtrans-66.8-54.7-174.2-64.4178.2000112.1F82 E83 F86 V87 L181 N187 R188 S189F82-L185 HydrophobicContact CD1-CD1 3.73Å; F82-L185 HydrophobicContact CE1-CD1 3.76Å; E83-L185 HydrophobicContact CG-CD2 4.19Å; F86-L185 HydrophobicContact CB-CD1 4.04Å; F86-L185 HydrophobicContact CD1-CB 4.1Å; F86-L185 HydrophobicContact CD1-CD1 4.08Å; F86-L185 HydrophobicContact CD1-CD2 3.95Å; F86-L185 HydrophobicContact CD1-CG 4.26Å; F86-L185 HydrophobicContact CD2-CD1 4.31Å; F86-L185 HydrophobicContact CE1-CB 3.97Å; F86-L185 HydrophobicContact CG-CD1 3.88Å; F86-L185 HydrophobicContact CG-CD2 4.49Å; F86-L185 HydrophobicContact CZ-CB 4.34Å; V87-L185 HydrophobicContact CG2-CD2 4.39Å; L181-L185 HydrophobicContact CD1-CD1 3.74Å; L181-L185 HydrophobicContact CD1-CD2 4.2Å; L181-L185 HydrophobicContact CD1-CG 3.73Å; L181-L185 HydrophobicContact CD2-CD1 4.37Å; L181-L185 HydrophobicContact CG-CD1 3.81Å; L181-L185 HydrophobicContact CG-CG 4.19Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.42Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 3.43Å; L185-R188 WeakPolarHBondContact O-CB 3.41Å; L185-R188 PolarHBondContact O-N 3.46Å; L185-R188 VanDerWaalsContact O-N 3.1Å; L185-S189 PolarHBondContact O-N 3.42Å
186Y89.7Confident87.4Confident70 Ų7094.3 Ų94.328%0.27542%0.417SS..Hα-helixtrans-69.1-29.6-176.4-72.7-77.2000113.1F86 C182 K190F86-Y186 HydrophobicContact CE2-CE1 4.37Å; F86-Y186 HydrophobicContact CZ-CE1 4.43Å; C182-Y186 WeakPolarHBondContact O-CD2 3.49Å; C182-Y186 PolarHBondContact O-N 3.37Å; C182-Y186 VanDerWaalsContact O-N 3.14Å; Y186-K190 VanDerWaalsContact O-CB 3.3Å; Y186-K190 WeakPolarHBondContact O-CB 3.46Å; Y186-K190 PolarHBondContact O-N 3.14Å
187N90.5Very high85.4Confident72 Ų7296.2 Ų96.239%0.38541%0.412SS..Hα-helixtrans-72-36.4171.1-74.9-42.7000112.5R183 L185 K190 K191R183-N187 WeakPolarHBondContact CG-ND2 3.43Å; R183-N187 WeakPolarHBondContact O-CB 3.31Å; R183-N187 PolarHBondContact O-N 2.87Å; R183-N187 PolarHBondContact O-ND2 3.32Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 3.43Å; N187-K190 PolarHBondContact O-N 2.99Å; N187-K191 WeakPolarHBondContact O-CG 3.35Å; N187-K191 PolarHBondContact O-N 3.36Å
188R89.3Confident83.3Confident67 Ų67104.7 Ų104.725%0.25344%0.442SS..Hα-helixtrans-61.4-48.7173.3-175.2-173.171.1-165.65.6110E90 K184 L185 K190 K191 R192E90-R188 IonicContact OE2-CZ 2.93Å; E90-R188 IonicContact OE2-NE 3.36Å; E90-R188 PolarHBondContact OE2-NE 3.01Å; E90-R188 IonicContact OE2-NH2 3.56Å; E90-R188 PolarHBondContact OE2-NH2 3.4Å; K184-R188 WeakPolarHBondContact O-CB 3.47Å; K184-R188 PolarHBondContact O-N 3.22Å; L185-R188 WeakPolarHBondContact O-CB 3.41Å; L185-R188 PolarHBondContact O-N 3.46Å; L185-R188 VanDerWaalsContact O-N 3.1Å; R188-K190 PolarHBondContact O-N 2.99Å; R188-K191 PolarHBondContact O-N 2.88Å; R188-K191 VanDerWaalsContact O-N 3.13Å; R188-R192 PolarHBondContact O-N 2.77Å
189S85.9Confident81.2Confident7 Ų7107.5 Ų107.55%0.04946%0.462CS..Hα-helixtrans-54.2-52.3174.6-167.30000111.6E90 L185 K191 R192 Y193E90-S189 WeakPolarHBondContact OE1-CA 3.46Å; E90-S189 WeakPolarHBondContact OE1-CB 3.32Å; E90-S189 PolarHBondContact OE1-OG 3.21Å; L185-S189 PolarHBondContact O-N 3.42Å; S189-K191 VanDerWaalsContact C-N 3.28Å; S189-K191 PolarHBondContact O-N 2.92Å; S189-R192 PolarHBondContact O-N 2.78Å; S189-Y193 WeakPolarHBondContact O-CD2 3.28Å; S189-Y193 PolarHBondContact O-N 3.17Å
190K88.1Confident79.2Confident153 Ų153107.7 Ų107.767%0.66546%0.463SS*.Hα-helixtrans-58.3-36.3177.4-171.2177.6-176.5174.90113Y186 N187 R188 G194Y186-K190 VanDerWaalsContact O-CB 3.3Å; Y186-K190 WeakPolarHBondContact O-CB 3.46Å; Y186-K190 PolarHBondContact O-N 3.14Å; N187-K190 PolarHBondContact O-N 2.99Å; R188-K190 PolarHBondContact O-N 2.99Å; K190-G194 WeakPolarHBondContact O-CA 3.38Å; K190-G194 PolarHBondContact O-N 2.75Å
191K88.9Confident77.1Confident155 Ų155104.2 Ų104.267%0.67446%0.456SS*.Hα-helixtrans-69.3-42.1175.4-74.6173.6-177.9177.80111.6N187 R188 S189N187-K191 WeakPolarHBondContact O-CG 3.35Å; N187-K191 PolarHBondContact O-N 3.36Å; R188-K191 PolarHBondContact O-N 2.88Å; R188-K191 VanDerWaalsContact O-N 3.13Å; S189-K191 VanDerWaalsContact C-N 3.28Å; S189-K191 PolarHBondContact O-N 2.92Å
192R87.6Confident74.6Confident107 Ų107111.3 Ų111.340%0.40449%0.489SS..Hα-helixtrans-65.8-51.3-179.3-166.3179.7-159.3131.90.6111.5E91 R188 S189E91-R192 IonicContact OE1-CZ 3.43Å; E91-R192 IonicContact OE1-NH1 2.64Å; E91-R192 PolarHBondContact OE1-NH1 3.18Å; E91-R192 IonicContact OE1-NH2 2.74Å; E91-R192 PolarHBondContact OE1-NH2 3.35Å; R188-R192 PolarHBondContact O-N 2.77Å; S189-R192 PolarHBondContact O-N 2.78Å
193Y84.9Confident72.6Confident26 Ų26114 Ų11410%0.10251%0.508CS..Hα-helixtrans-94.4-25.4-174.4-60.2-80.2000113.7E90 E95 S189 R195 R196 R197E90-Y193 HydrophobicContact CG-CE2 3.94Å; E90-Y193 PolarHBondContact O-OH 3.47Å; E90-Y193 VanDerWaalsContact O-OH 3.06Å; E95-Y193 HydrophobicContact CB-CD1 3.76Å; E95-Y193 HydrophobicContact CB-CD2 3.87Å; E95-Y193 HydrophobicContact CB-CE1 3.69Å; E95-Y193 HydrophobicContact CB-CE2 3.83Å; E95-Y193 HydrophobicContact CB-CG 3.87Å; E95-Y193 VanDerWaalsContact CD-CB 3.44Å; E95-Y193 HydrophobicContact CG-CD1 4.09Å; E95-Y193 HydrophobicContact CG-CD2 3.57Å; E95-Y193 HydrophobicContact CG-CE1 4.42Å; E95-Y193 HydrophobicContact CG-CE2 3.96Å; E95-Y193 HydrophobicContact CG-CG 3.66Å; E95-Y193 WeakPolarHBondContact OE2-CB 3.5Å; S189-Y193 WeakPolarHBondContact O-CD2 3.28Å; S189-Y193 PolarHBondContact O-N 3.17Å; Y193-R195 PolarHBondContact O-N 2.93Å; Y193-R196 PolarHBondContact O-N 2.85Å; Y193-R197 PolarHBondContact O-N 3.18Å
194G74.8Confident70.6Confident28 Ų28110.1 Ų110.129%0.28951%0.507SS..Hα-helixtrans-68.5-30.3178.500000114.1K190 R197K190-G194 WeakPolarHBondContact O-CA 3.38Å; K190-G194 PolarHBondContact O-N 2.75Å; G194-R197 PolarHBondContact O-N 3Å
195R59.1Low68.4Low206 Ų206110.1 Ų110.178%0.77752%0.521SS*.Hα-helixtrans-66.7-37.3173-75.7-175.1176.4-176.80.1112Y193 R197 R198 S199Y193-R195 PolarHBondContact O-N 2.93Å; R195-R197 VanDerWaalsContact C-N 3.26Å; R195-R197 PolarHBondContact O-N 3.43Å; R195-R198 PolarHBondContact O-N 3Å; R195-S199 PolarHBondContact O-N 3.24Å; R195-S199 PolarHBondContact O-OG 3.24Å
196R56Low66.2Low183 Ų183119.5 Ų119.569%0.69156%0.562SS**Hα-helixtrans-64.4-27.3175.2-85.4-180169.6177.6-3.3113.2Y193 S199Y193-R196 PolarHBondContact O-N 2.85Å; R196-S199 PolarHBondContact O-OG 3.05Å; R196-S199 VanDerWaalsContact O-OG 3.11Å
197R52.9Low64Low129 Ų129120.9 Ų120.949%0.48758%0.582SS.*Hα-helixtrans-76.3-29.9178.4-64.1-174.6-170-169.77.7113E95 Y193 G194 R195E95-R197 IonicContact OE1-CZ 3.83Å; E95-R197 IonicContact OE1-NH2 2.81Å; E95-R197 PolarHBondContact OE1-NH2 2.89Å; E95-R197 IonicContact OE2-NH2 3.46Å; E95-R197 PolarHBondContact OE2-NH2 3.28Å; Y193-R197 PolarHBondContact O-N 3.18Å; G194-R197 PolarHBondContact O-N 3Å; R195-R197 VanDerWaalsContact C-N 3.26Å; R195-R197 PolarHBondContact O-N 3.43Å
198R50.2Low61.8Low213 Ų213129.6 Ų129.680%0.80461%0.609SS**Hα-helixtrans-79.7-23.9177.9-78.9-177.2175.3171.2-1.3113.9R195 R200R195-R198 PolarHBondContact O-N 3Å; R198-R200 VanDerWaalsContact C-N 3.28Å; R198-R200 PolarHBondContact O-N 3.38Å
199S51.6Low59.9Low92 Ų92137.4 Ų137.464%0.64364%0.639SS**THydrogen-bonded Turntrans-77.2-8.5-179.241.20000114.6R195 R196R195-S199 PolarHBondContact O-N 3.24Å; R195-S199 PolarHBondContact O-OG 3.24Å; R196-S199 PolarHBondContact O-OG 3.05Å; R196-S199 VanDerWaalsContact O-OG 3.11Å
200R51.8Low58Low233 Ų233148.7 Ų148.788%0.87968%0.68SS**THydrogen-bonded Turntrans-99.25.1176.4-81.9-176.6168.2177.2-4.1115.1R198R198-R200 VanDerWaalsContact C-N 3.28Å; R198-R200 PolarHBondContact O-N 3.38Å
201S49.3Very low56Low91 Ų91152.2 Ų152.264%0.63669%0.689SS**SBendtrans-134.216-173.3420000115.5
202H43.2Very low54.1Low158 Ų158150 Ų15073%0.73169%0.694SS**  trans-103.775.3169.7-145.168.6000111.2P204H202-P204 WeakPolarHBondContact O-CD 3.44Å
203S50.6Low52.2Low107 Ų107156 Ų15675%0.74872%0.716SS**  trans-64119.5152.7-58.70000106.7S205S203-S205 PolarHBondContact O-N 3.13Å; S203-S205 VanDerWaalsContact O-N 3.08Å
204P50.8Low50.7Low103 Ų103160.5 Ų160.567%0.66975%0.751SS**  trans-58.7121.8174-17.529.6000107H202 K206H202-P204 WeakPolarHBondContact O-CD 3.44Å; P204-K206 PolarHBondContact O-N 2.9Å
205S47.7Very low49.8Very low113 Ų113163.8 Ų163.879%0.7978%0.776SS**  trans-63.885.8169.440.20000108.1S203 S207S203-S205 PolarHBondContact O-N 3.13Å; S203-S205 VanDerWaalsContact O-N 3.08Å; S205-S207 PolarHBondContact O-N 2.85Å
206K47.2Very low49.6Very low197 Ų197157.3 Ų157.386%0.85777%0.773SS**  trans-54124.6158.1-84.7-178.1175.11780106.4P204P204-K206 PolarHBondContact O-N 2.9Å
207S43.6Very low49.4Very low98 Ų98159.8 Ų159.869%0.68578%0.782SS**  trans103.179.5167.2830000117.3S205S205-S207 PolarHBondContact O-N 2.85Å
208R44.8Very low49.7Very low256 Ų256160.3 Ų160.397%0.96680%0.8SS**  -105.692.5125.4-83-173.9175.9179.8-0.2108.6R210R208-R210 PolarHBondContact O-N 3.43Å
209R49.2Very low49.7Very low231 Ų231155.3 Ų155.387%0.87280%0.797SS**  trans-44.5130.5170.6-84.4171.7165.4172.4-5.1110.6R211R209-R211 PolarHBondContact O-N 2.94Å
210R44.8Very low49.9Very low243 Ų243162.2 Ų162.292%0.91781%0.809SS**  trans-30.3120.1149.5-66.9173.4173.3-178.4-3.4111R208R208-R210 PolarHBondContact O-N 3.43Å
211R47.2Very low49.8Very low227 Ų227166.7 Ų166.786%0.85783%0.826SS**  trans-147.289.5149.3-119.7176.5-177.7175.9-0.6107.9R209 R213R209-R211 PolarHBondContact O-N 2.94Å; R211-R213 PolarHBondContact O-N 3.39Å; R211-R213 VanDerWaalsContact O-N 3.15Å
212S48.8Very low49.9Very low109 Ų109170.5 Ų170.576%0.76284%0.835SS**  trans-42111.5151.629.80000109
213R48.4Very low50.2Low234 Ų234171.1 Ų171.188%0.88384%0.841SS**  trans-106.188.3161-87-176.2167.9171.4-3.9107.1R211 A215R211-R213 PolarHBondContact O-N 3.39Å; R211-R213 VanDerWaalsContact O-N 3.15Å; R213-A215 PolarHBondContact O-N 3.45Å
214S53Low50.2Low119 Ų119174.7 Ų174.783%0.83285%0.846SS**  trans-64.7102.2154.9-10.60000106.5
215A55.8Low50.2Low98 Ų98178.9 Ų178.981%0.8186%0.857SS**  trans-10593.2165.500000106.8R213R213-A215 PolarHBondContact O-N 3.45Å
216G54.1Low50.3Low69 Ų69183 Ų18371%0.71186%0.861SS**  trans-74.7136162.100000109.8
217R53.4Low50.5Low236 Ų236182.1 Ų182.189%0.89186%0.861SS**  trans168109.2136.5-98.3176.5170.4-174.4-3.1107.6
218V57.7Low51Low140 Ų140188.1 Ų188.185%0.84887%0.873SS**  76.3107.293.1172.90000112.1
219S50.9Low51.5Low108 Ų108182.8 Ų182.876%0.75587%0.866SS**  trans159.194.2132.1-169.40000107.5
220R56.5Low51.7Low236 Ų236178.8 Ų178.889%0.89187%0.866SS**  47.4112.692.4-89.1-171.3177.3-1780.4114.4
221R49.6Very low52.3Low327 Ų327173 Ų173100%1.23486%0.861SS**  trans66.30159.4-73.7-173.8175.8-173.5-1.6117.7

Retrieved 221 of 221 residues in 95 ms (Link to these results)

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