A0A087YD84_POEFO Loading...

ALG5 dolichyl-phosphate beta-glucosyltransferase

AlphaFold DB , UniProt , Accession A0A087YD84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 250 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
1M67.1Low89.1Confident208 Ų208107.4 Ų107.4100%1.02558%0.579SS**  0-25.60-93.2174.659.800111.5L4 C5M1-L4 PolarHBondContact O-N 2.9Å; M1-C5 PolarHBondContact O-N 3.07Å
2D82.8Confident89.7Confident125 Ų125110.8 Ų110.867%0.66859%0.585SS**Hα-helixtrans-67.9-41.7-172.3-45.4-63.9000113.2L4 C5 D6D2-L4 VanDerWaalsContact C-N 3.27Å; D2-L4 PolarHBondContact O-N 2.91Å; D2-C5 WeakPolarHBondContact O-CA 3.1Å; D2-C5 VanDerWaalsContact O-CB 3.29Å; D2-C5 WeakPolarHBondContact O-CB 3.33Å; D2-C5 PolarHBondContact O-N 3.09Å; D2-D6 PolarHBondContact O-N 3.48Å
3I88.8Confident90.1Very high131 Ų131107.2 Ų107.267%0.67258%0.581SS**Hα-helixtrans-58.9-37.9177.8-62.1166.3000112.2D6 I7I3-D6 PolarHBondContact O-N 3.03Å; I3-I7 HydrophobicContact CG2-CD1 3.88Å; I3-I7 WeakPolarHBondContact O-CD1 3.35Å; I3-I7 WeakPolarHBondContact O-CG1 3.49Å; I3-I7 PolarHBondContact O-N 3.15Å
4L89.3Confident90.5Very high120 Ų120107.7 Ų107.763%0.62858%0.582SS**Hα-helixtrans-70.2-36.1178.4-173.865.7000111M1 D2 V8M1-L4 PolarHBondContact O-N 2.9Å; D2-L4 VanDerWaalsContact C-N 3.27Å; D2-L4 PolarHBondContact O-N 2.91Å; L4-V8 WeakPolarHBondContact O-CB 3.48Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 2.84Å; L4-V8 VanDerWaalsContact O-N 3.09Å
5C90.3Very high90.9Very high67 Ų67104.7 Ų104.745%0.45358%0.578SS.*Hα-helixtrans-65-44.8175.2-165.10000111M1 D2 I7 V8 Q9M1-C5 PolarHBondContact O-N 3.07Å; D2-C5 WeakPolarHBondContact O-CA 3.1Å; D2-C5 VanDerWaalsContact O-CB 3.29Å; D2-C5 WeakPolarHBondContact O-CB 3.33Å; D2-C5 PolarHBondContact O-N 3.09Å; C5-I7 PolarHBondContact O-N 2.62Å; C5-V8 PolarHBondContact O-N 2.92Å; C5-Q9 WeakPolarHBondContact O-CG 3.19Å; C5-Q9 PolarHBondContact O-N 2.88Å
6D92.1Very high91.2Very high95 Ų95101.3 Ų101.351%0.50857%0.567SS.*Hα-helixtrans-63.5-42.3179.3-64.9-26.9000111.8D2 I3 Q9 A10D2-D6 PolarHBondContact O-N 3.48Å; I3-D6 PolarHBondContact O-N 3.03Å; D6-Q9 PolarHBondContact O-N 2.82Å; D6-A10 WeakPolarHBondContact O-CB 3.42Å; D6-A10 PolarHBondContact O-N 2.74Å
7I93.6Very high91.5Very high91 Ų91101.6 Ų101.647%0.46757%0.567SS.*Hα-helixtrans-62.6-44.3175.7-69.2166.3000110.6I3 C5 A10 L11I3-I7 HydrophobicContact CG2-CD1 3.88Å; I3-I7 WeakPolarHBondContact O-CD1 3.35Å; I3-I7 WeakPolarHBondContact O-CG1 3.49Å; I3-I7 PolarHBondContact O-N 3.15Å; C5-I7 PolarHBondContact O-N 2.62Å; I7-A10 PolarHBondContact O-N 2.56Å; I7-L11 HydrophobicContact CG2-CD1 4.12Å; I7-L11 VanDerWaalsContact O-CG 3.31Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 2.71Å
8V94.1Very high91.7Very high64 Ų6498 Ų9839%0.38856%0.556SS.*Hα-helixtrans-64.2-44.4178.7170.40000110.8L4 C5 A10 L11 F12L4-V8 WeakPolarHBondContact O-CB 3.48Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 2.84Å; L4-V8 VanDerWaalsContact O-N 3.09Å; C5-V8 PolarHBondContact O-N 2.92Å; V8-A10 PolarHBondContact O-N 2.87Å; V8-L11 PolarHBondContact O-N 2.65Å; V8-F12 HydrophobicContact CG1-CD2 3.74Å; V8-F12 HydrophobicContact CG1-CE2 3.65Å; V8-F12 VanDerWaalsContact O-CD2 3.26Å; V8-F12 WeakPolarHBondContact O-CD2 3.35Å; V8-F12 PolarHBondContact O-N 2.78Å
9Q93.2Very high91.9Very high120 Ų12098.4 Ų98.456%0.56156%0.556SS**Hα-helixtrans-61.6-41.8176.3-75.1-178-14.300112.4C5 D6 L11 F12 A13C5-Q9 WeakPolarHBondContact O-CG 3.19Å; C5-Q9 PolarHBondContact O-N 2.88Å; D6-Q9 PolarHBondContact O-N 2.82Å; Q9-L11 PolarHBondContact O-N 3.34Å; Q9-F12 PolarHBondContact O-N 3.15Å; Q9-A13 WeakPolarHBondContact O-CB 3.22Å; Q9-A13 PolarHBondContact O-N 3.23Å
10A93.9Very high92.1Very high52 Ų5298.5 Ų98.543%0.4355%0.554SS.*Hα-helixtrans-63-41.1176.400000112.3D6 I7 V8 A13 L14D6-A10 WeakPolarHBondContact O-CB 3.42Å; D6-A10 PolarHBondContact O-N 2.74Å; I7-A10 PolarHBondContact O-N 2.56Å; V8-A10 PolarHBondContact O-N 2.87Å; A10-A13 PolarHBondContact O-N 2.83Å; A10-L14 WeakPolarHBondContact O-CB 3.2Å; A10-L14 WeakPolarHBondContact O-CG 3.49Å; A10-L14 PolarHBondContact O-N 3.14Å
11L95.1Very high92.2Very high108 Ų10897.7 Ų97.757%0.56555%0.551SS**Hα-helixtrans-64.6-41.5176.1-71.5171.7000112.1I7 V8 Q9 L14 A15I7-L11 HydrophobicContact CG2-CD1 4.12Å; I7-L11 VanDerWaalsContact O-CG 3.31Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 2.71Å; V8-L11 PolarHBondContact O-N 2.65Å; Q9-L11 PolarHBondContact O-N 3.34Å; L11-L14 PolarHBondContact O-N 3.06Å; L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 3.42Å
12F96Very high93.4Very high149 Ų14992.2 Ų92.265%0.65453%0.529SS*.Hα-helixtrans-63.5-42.5174.6-87.7-71.8000112.3V8 Q9 A15 A16V8-F12 HydrophobicContact CG1-CD2 3.74Å; V8-F12 HydrophobicContact CG1-CE2 3.65Å; V8-F12 VanDerWaalsContact O-CD2 3.26Å; V8-F12 WeakPolarHBondContact O-CD2 3.35Å; V8-F12 PolarHBondContact O-N 2.78Å; Q9-F12 PolarHBondContact O-N 3.15Å; F12-A15 PolarHBondContact O-N 3.49Å; F12-A16 WeakPolarHBondContact O-CB 3.49Å; F12-A16 PolarHBondContact O-N 3.2Å
13A95.1Very high93.7Very high64 Ų6491.2 Ų91.253%0.52952%0.523SS..Hα-helixtrans-63-42.6177.400000111.8Q9 A10 A16 L17Q9-A13 WeakPolarHBondContact O-CB 3.22Å; Q9-A13 PolarHBondContact O-N 3.23Å; A10-A13 PolarHBondContact O-N 2.83Å; A13-A16 PolarHBondContact O-N 3.07Å; A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 PolarHBondContact O-N 3.16Å
14L96Very high93.7Very high114 Ų11488.4 Ų88.460%0.59751%0.512SS*.Hα-helixtrans-64.2-42.3175.3-78166.8000112.3A10 L11 L17 G18A10-L14 WeakPolarHBondContact O-CB 3.2Å; A10-L14 WeakPolarHBondContact O-CG 3.49Å; A10-L14 PolarHBondContact O-N 3.14Å; L11-L14 PolarHBondContact O-N 3.06Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-G18 PolarHBondContact O-N 3.1Å
15A95.9Very high93.5Very high63 Ų6386.3 Ų86.352%0.52150%0.504SS..Hα-helixtrans-64.4-41.8176.400000111.9L11 F12 G18 L19L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 3.42Å; F12-A15 PolarHBondContact O-N 3.49Å; A15-G18 PolarHBondContact O-N 3.14Å; A15-L19 PolarHBondContact O-N 3.44Å
16A95.8Very high93Very high49 Ų4985.5 Ų85.541%0.40550%0.502SS..Hα-helixtrans-64.5-43.1175.900000111.8F12 A13 L19 I20F12-A16 WeakPolarHBondContact O-CB 3.49Å; F12-A16 PolarHBondContact O-N 3.2Å; A13-A16 PolarHBondContact O-N 3.07Å; A16-L19 PolarHBondContact O-N 3.47Å; A16-I20 VanDerWaalsContact O-CG1 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.37Å; A16-I20 PolarHBondContact O-N 3.42Å
17L96.3Very high92.4Very high108 Ų10885.3 Ų85.357%0.56550%0.498SS*.Hα-helixtrans-60.7-45.6174.5-169.182.4000111A13 L14 L19 I20 V21A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 PolarHBondContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 3.31Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 2.93Å; L17-I20 PolarHBondContact O-N 3.22Å; L17-V21 WeakPolarHBondContact O-CG2 3.34Å; L17-V21 PolarHBondContact O-N 2.87Å
18G95.9Very high91.4Very high36 Ų3687 Ų8737%0.37151%0.507SS..Hα-helixtrans-59-43.8175.800000112.5L14 A15 V21 V22L14-G18 PolarHBondContact O-N 3.1Å; A15-G18 PolarHBondContact O-N 3.14Å; G18-V21 PolarHBondContact O-N 2.65Å; G18-V22 WeakPolarHBondContact O-CG2 3.1Å; G18-V22 PolarHBondContact O-N 3.49Å
19L95.1Very high90Very high106 Ų10688.9 Ų88.956%0.55552%0.519SS*.Hα-helixtrans-63-43.1175.4-178.164.7000111.9A15 A16 L17 V22 L23A15-L19 PolarHBondContact O-N 3.44Å; A16-L19 PolarHBondContact O-N 3.47Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 2.93Å; L19-V22 PolarHBondContact O-N 2.75Å; L19-L23 HydrophobicContact CD1-CG 4.49Å; L19-L23 HydrophobicContact CG-CD1 4.23Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.29Å; L19-L23 PolarHBondContact O-N 3.38Å
20I95.1Very high88.6Confident100 Ų10085.8 Ų85.851%0.51351%0.514SS..Hα-helixtrans-61.4-45176.6-69.5165.4000110.4A16 L17 V22 L23 V24A16-I20 VanDerWaalsContact O-CG1 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.37Å; A16-I20 PolarHBondContact O-N 3.42Å; L17-I20 PolarHBondContact O-N 3.22Å; I20-V22 VanDerWaalsContact C-N 3.35Å; I20-V22 PolarHBondContact O-N 3.42Å; I20-L23 PolarHBondContact O-N 2.93Å; I20-V24 HydrophobicContact CG2-CG2 4.22Å; I20-V24 WeakPolarHBondContact O-CB 3.47Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.4Å; I20-V24 PolarHBondContact O-N 2.92Å
21V95.1Very high86.5Confident82 Ų8286 Ų8650%0.49752%0.521SS..Hα-helixtrans-60.5-45176.7172.20000110.7L17 G18 L23 V24 V25L17-V21 WeakPolarHBondContact O-CG2 3.34Å; L17-V21 PolarHBondContact O-N 2.87Å; G18-V21 PolarHBondContact O-N 2.65Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.2Å; V21-V24 PolarHBondContact O-N 3.12Å; V21-V25 HydrophobicContact CG1-CG2 4.24Å; V21-V25 WeakPolarHBondContact O-CB 3.34Å; V21-V25 VanDerWaalsContact O-CG2 3.26Å; V21-V25 WeakPolarHBondContact O-CG2 3.43Å; V21-V25 PolarHBondContact O-N 3.2Å
22V92.7Very high84.2Confident92 Ų9285.2 Ų85.256%0.55852%0.516SS*.Hα-helixtrans-60.6-42.5175.8170.60000111.4G18 L19 I20 A26G18-V22 WeakPolarHBondContact O-CG2 3.1Å; G18-V22 PolarHBondContact O-N 3.49Å; L19-V22 PolarHBondContact O-N 2.75Å; I20-V22 VanDerWaalsContact C-N 3.35Å; I20-V22 PolarHBondContact O-N 3.42Å; V22-A26 WeakPolarHBondContact O-CB 3.41Å; V22-A26 PolarHBondContact O-N 3.29Å
23L89.3Confident82.1Confident104 Ų10483 Ų8355%0.54551%0.514SS..Hα-helixtrans-67-39.4177.7-71174.7000112.4L19 I20 V21 A26 H27L19-L23 HydrophobicContact CD1-CG 4.49Å; L19-L23 HydrophobicContact CG-CD1 4.23Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.29Å; L19-L23 PolarHBondContact O-N 3.38Å; I20-L23 PolarHBondContact O-N 2.93Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.2Å; L23-A26 PolarHBondContact O-N 2.9Å; L23-H27 VanDerWaalsContact O-CB 3.24Å; L23-H27 WeakPolarHBondContact O-CB 3.49Å; L23-H27 PolarHBondContact O-N 2.95Å
24V88.2Confident80.1Confident73 Ų7386.4 Ų86.444%0.44252%0.523SS..Hα-helixtrans-68.1-46.8176.4170.50000110.2I20 V21 A26 H27 L28I20-V24 HydrophobicContact CG2-CG2 4.22Å; I20-V24 WeakPolarHBondContact O-CB 3.47Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.4Å; I20-V24 PolarHBondContact O-N 2.92Å; V21-V24 PolarHBondContact O-N 3.12Å; V24-A26 VanDerWaalsContact C-N 3.35Å; V24-A26 PolarHBondContact O-N 3.25Å; V24-H27 PolarHBondContact O-N 3.36Å; V24-H27 VanDerWaalsContact O-N 3.16Å; V24-L28 HydrophobicContact CG1-CD1 3.65Å; V24-L28 HydrophobicContact CG1-CG 4.16Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 WeakPolarHBondContact O-CG 3.4Å; V24-L28 PolarHBondContact O-N 3.02Å
25V85.6Confident78.5Confident75 Ų7582.5 Ų82.546%0.45550%0.503SS..Hα-helixtrans-57.6-50.4173.6171.70000109.3V21 H27 L28 T29V21-V25 HydrophobicContact CG1-CG2 4.24Å; V21-V25 WeakPolarHBondContact O-CB 3.34Å; V21-V25 VanDerWaalsContact O-CG2 3.26Å; V21-V25 WeakPolarHBondContact O-CG2 3.43Å; V21-V25 PolarHBondContact O-N 3.2Å; V25-H27 VanDerWaalsContact C-N 3.28Å; V25-H27 PolarHBondContact O-N 3.03Å; V25-L28 PolarHBondContact O-N 3.04Å; V25-T29 HydrophobicContact CG1-CG2 3.97Å; V25-T29 WeakPolarHBondContact O-CB 3.03Å; V25-T29 WeakPolarHBondContact O-CG2 3.47Å; V25-T29 PolarHBondContact O-N 3.47Å; V25-T29 PolarHBondContact O-OG1 3.1Å
26A79.5Confident77.5Confident51 Ų5183.4 Ų83.442%0.42150%0.502SS..Hα-helixtrans-59.4-36.3177.200000112.8V22 L23 V24 A30V22-A26 WeakPolarHBondContact O-CB 3.41Å; V22-A26 PolarHBondContact O-N 3.29Å; L23-A26 PolarHBondContact O-N 2.9Å; V24-A26 VanDerWaalsContact C-N 3.35Å; V24-A26 PolarHBondContact O-N 3.25Å; A26-A30 WeakPolarHBondContact O-CA 3.35Å; A26-A30 WeakPolarHBondContact O-CB 3.33Å; A26-A30 PolarHBondContact O-N 2.73Å
27H78.3Confident76.9Confident91 Ų9184.6 Ų84.642%0.42150%0.496SS..Hα-helixtrans-70.2-41.7176.2-175.378.3000112.2L23 V24 V25 N243L23-H27 VanDerWaalsContact O-CB 3.24Å; L23-H27 WeakPolarHBondContact O-CB 3.49Å; L23-H27 PolarHBondContact O-N 2.95Å; V24-H27 PolarHBondContact O-N 3.36Å; V24-H27 VanDerWaalsContact O-N 3.16Å; V25-H27 VanDerWaalsContact C-N 3.28Å; V25-H27 PolarHBondContact O-N 3.03Å; H27-N243 PolarHBondContact CE1-OD1 2.84Å; H27-N243 PolarHBondContact ND1-ND2 2.8Å; H27-N243 PolarHBondContact ND1-OD1 2.83Å
28L73.1Confident76.5Confident125 Ų12583.5 Ų83.565%0.65449%0.488SS*.Hα-helixtrans-75.2-36.2179.9-65.6174.9000112.1V24 V25V24-L28 HydrophobicContact CG1-CD1 3.65Å; V24-L28 HydrophobicContact CG1-CG 4.16Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 WeakPolarHBondContact O-CG 3.4Å; V24-L28 PolarHBondContact O-N 3.02Å; V25-L28 PolarHBondContact O-N 3.04Å
29T65.7Low76.2Confident105 Ų10587 Ų8764%0.64449%0.494SS*.Hα-helixtrans-87.8-8.3176.167.10000113V25 G31V25-T29 HydrophobicContact CG1-CG2 3.97Å; V25-T29 WeakPolarHBondContact O-CB 3.03Å; V25-T29 WeakPolarHBondContact O-CG2 3.47Å; V25-T29 PolarHBondContact O-N 3.47Å; V25-T29 PolarHBondContact O-OG1 3.1Å; T29-G31 PolarHBondContact O-N 3Å
30A62.5Low75.8Confident55 Ų5588.8 Ų88.846%0.45550%0.498SS..  trans-68.844.4159.100000110.2A26 M32A26-A30 WeakPolarHBondContact O-CA 3.35Å; A26-A30 WeakPolarHBondContact O-CB 3.33Å; A26-A30 PolarHBondContact O-N 2.73Å; A30-M32 PolarHBondContact O-N 3.24Å; A30-M32 VanDerWaalsContact O-N 3.12Å
31G49.8Very low75.7Confident55 Ų5584 Ų8457%0.56747%0.473SS*.  trans-53120.116900000107.2T29 V33T29-G31 PolarHBondContact O-N 3Å; G31-V33 PolarHBondContact O-N 3.34Å
32M47.4Very low75.5Confident93 Ų9383.8 Ų83.846%0.45847%0.466SS..  trans-46.8131.2172.3-63179.3-69.700108.1A30 N34 V244 Y246A30-M32 PolarHBondContact O-N 3.24Å; A30-M32 VanDerWaalsContact O-N 3.12Å; M32-N34 PolarHBondContact O-N 2.9Å; M32-V244 HydrophobicContact CG-CG1 4.49Å; M32-V244 HydrophobicContact SD-CG1 3.99Å; M32-Y246 HydrophobicContact SD-CD1 4.33Å
33V51.6Low75.5Confident102 Ų10284.3 Ų84.362%0.61846%0.458SS*.  trans-55111.1170-179.20000106.4G31 L35G31-V33 PolarHBondContact O-N 3.34Å; V33-L35 VanDerWaalsContact C-N 3.31Å; V33-L35 HydrophobicContact CB-CD1 4.21Å; V33-L35 HydrophobicContact CG1-CD1 3.85Å; V33-L35 PolarHBondContact O-N 3.14Å
34N53Low75.6Confident135 Ų13580.5 Ų80.572%0.72244%0.437SS*.  trans-69.397-178.2-159.2-2.4000107M32 T36M32-N34 PolarHBondContact O-N 2.9Å; N34-T36 PolarHBondContact O-N 2.66Å
35L62.7Low75.6Confident32 Ų3280.4 Ų80.417%0.16843%0.434CS..  trans-87.968.8-174.2-121.2108.8000108.2V33 R37 R146 M147V33-L35 VanDerWaalsContact C-N 3.31Å; V33-L35 HydrophobicContact CB-CD1 4.21Å; V33-L35 HydrophobicContact CG1-CD1 3.85Å; V33-L35 PolarHBondContact O-N 3.14Å; L35-R37 PolarHBondContact O-N 3.14Å; L35-R37 VanDerWaalsContact O-N 3.16Å; L35-R146 HydrophobicContact CD2-CG 4.26Å; L35-M147 HydrophobicContact CD2-CG 3.68Å; L35-M147 HydrophobicContact CD2-SD 3.41Å; L35-M147 WeakPolarHBondContact CD2-SD 3.25Å
36T74.4Confident75.5Confident82 Ų8277.6 Ų77.650%0.50342%0.417SS..  trans-67.4111.917150.20000108.2N34 H38 R139N34-T36 PolarHBondContact O-N 2.66Å; T36-H38 PolarHBondContact O-N 2.95Å; T36-R139 PolarHBondContact O-NH1 2.95Å; T36-R139 VanDerWaalsContact O-NH1 3.12Å; T36-R139 PolarHBondContact O-NH2 2.78Å
37R83.8Confident75.3Confident74 Ų7477.8 Ų77.828%0.27942%0.418SS..  trans-72.8118.9173.6-176.3166.5-165.8162.57.2108.7L35 E41 K42 M147 S151L35-R37 PolarHBondContact O-N 3.14Å; L35-R37 VanDerWaalsContact O-N 3.16Å; R37-E41 HydrophobicContact CG-CB 4.1Å; R37-E41 PolarHBondContact NE-O 2.66Å; R37-E41 PolarHBondContact NH2-O 2.86Å; R37-K42 HydrophobicContact CG-CG 4.12Å; R37-M147 HydrophobicContact CB-CE 4.21Å; R37-M147 HydrophobicContact CG-CE 3.69Å; R37-S151 PolarHBondContact NH1-OG 2.48Å; R37-S151 PolarHBondContact NH2-OG 2.8Å
38H88.2Confident75.3Confident86 Ų8679.3 Ų79.340%0.39843%0.434SS..  trans-75.2150.8178.9-165.3-85.4000110T36 K40 E41 V136T36-H38 PolarHBondContact O-N 2.95Å; H38-K40 PolarHBondContact ND1-N 2.58Å; H38-K40 PolarHBondContact O-N 2.92Å; H38-E41 HydrophobicContact CB-CG 3.96Å; H38-E41 PolarHBondContact N-OE2 2.84Å; H38-E41 WeakPolarHBondContact O-CA 3.24Å; H38-E41 WeakPolarHBondContact O-CB 3.38Å; H38-E41 PolarHBondContact O-N 3.48Å; H38-V136 HydrophobicContact CB-CG2 3.83Å
39E88.6Confident75.6Confident108 Ų10875.8 Ų75.851%0.50543%0.429SS..G310 helixtrans-54-41.9-179.2-74.1-56.9139.900112.6E41 K42 Y43E39-E41 PolarHBondContact O-N 3.41Å; E39-K42 WeakPolarHBondContact O-CB 3.48Å; E39-K42 PolarHBondContact O-N 2.88Å; E39-K42 VanDerWaalsContact O-N 3.12Å; E39-K42 WeakPolarHBondContact OE1-CE 3.36Å; E39-K42 IonicContact OE1-NZ 3.4Å; E39-K42 PolarHBondContact OE1-NZ 2.93Å; E39-K42 WeakPolarHBondContact OE2-CD 3.45Å; E39-K42 IonicContact OE2-NZ 3.57Å; E39-K42 PolarHBondContact OE2-NZ 3.36Å; E39-Y43 WeakPolarHBondContact O-CD2 3.18Å
40K88.3Confident76.6Confident145 Ų14575.8 Ų75.863%0.6342%0.421SS*.G310 helixtrans-59.5-28.1175.5-63.2-178-179.2178.90113.8H38 K42 V136H38-K40 PolarHBondContact ND1-N 2.58Å; H38-K40 PolarHBondContact O-N 2.92Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.24Å; K40-V136 HydrophobicContact CB-CG2 4.37Å
41E91.7Very high77.9Confident0 Ų081.2 Ų81.20%043%0.43CS..G310 helixtrans-84.4-2.3-178.8-59.6168.4175.400112.4R37 H38 E39 Y43 L133 L135 V136 R139 M147R37-E41 HydrophobicContact CG-CB 4.1Å; R37-E41 PolarHBondContact NE-O 2.66Å; R37-E41 PolarHBondContact NH2-O 2.86Å; H38-E41 HydrophobicContact CB-CG 3.96Å; H38-E41 PolarHBondContact N-OE2 2.84Å; H38-E41 WeakPolarHBondContact O-CA 3.24Å; H38-E41 WeakPolarHBondContact O-CB 3.38Å; H38-E41 PolarHBondContact O-N 3.48Å; E39-E41 PolarHBondContact O-N 3.41Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; E41-L133 HydrophobicContact CB-CD1 4.23Å; E41-L133 WeakPolarHBondContact O-CD1 3.34Å; E41-L135 HydrophobicContact CG-CD2 4.06Å; E41-V136 HydrophobicContact CG-CG2 4.13Å; E41-V136 PolarHBondContact OE1-N 3.17Å; E41-R139 IonicContact OE1-CZ 2.78Å; E41-R139 IonicContact OE1-NE 3.15Å; E41-R139 IonicContact OE1-NH2 3.6Å; E41-R139 PolarHBondContact OE1-NH2 3.12Å; E41-R139 IonicContact OE2-CZ 2.87Å; E41-R139 IonicContact OE2-NH1 3.08Å; E41-R139 IonicContact OE2-NH2 2.65Å; E41-R139 PolarHBondContact OE2-NH2 3.37Å; E41-M147 HydrophobicContact CB-CE 4.28Å
42K90.6Very high79.9Confident77 Ų7782.9 Ų82.934%0.33542%0.422SS..G310 helixtrans-84.2-10.9176.2-64.6-179.6-177.4170.80113R37 E39 K40 P53 F54R37-K42 HydrophobicContact CG-CG 4.12Å; E39-K42 WeakPolarHBondContact O-CB 3.48Å; E39-K42 PolarHBondContact O-N 2.88Å; E39-K42 VanDerWaalsContact O-N 3.12Å; E39-K42 WeakPolarHBondContact OE1-CE 3.36Å; E39-K42 IonicContact OE1-NZ 3.4Å; E39-K42 PolarHBondContact OE1-NZ 2.93Å; E39-K42 WeakPolarHBondContact OE2-CD 3.45Å; E39-K42 IonicContact OE2-NZ 3.57Å; E39-K42 PolarHBondContact OE2-NZ 3.36Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.24Å; K42-P53 CarbonylContact O-C 3.51Å; K42-P53 WeakPolarHBondContact O-CA 3.27Å; K42-F54 PolarHBondContact O-N 2.91Å
43Y92.8Very high82.1Confident102 Ų10282.5 Ų82.540%0.443%0.426SS..EExtended strand (participates in β ladder)trans-125149.2-173.4-55.4-92.1000111.6E39 E41 K52 P53 F54E39-Y43 WeakPolarHBondContact O-CD2 3.18Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; Y43-K52 CarbonylContact C-O 3.44Å; Y43-K52 WeakPolarHBondContact CA-O 3.12Å; Y43-P53 HydrophobicContact CD1-CB 4.15Å; Y43-P53 HydrophobicContact CE1-CB 4.11Å; Y43-F54 WeakPolarHBondContact O-CE2 3.42Å
44F91.8Very high84Confident24 Ų2478.5 Ų78.511%0.10540%0.401CS..EExtended strand (participates in β ladder)trans-115.1158.3165.662.5-79.3000110.8T46 R51 K52 P53 F54 A127 R131F44-T46 HydrophobicContact CE2-CG2 4.27Å; F44-R51 WeakPolarHBondContact O-CA 3.48Å; F44-K52 HydrophobicContact CD1-CB 4.45Å; F44-K52 VanDerWaalsContact CD1-O 3.22Å; F44-K52 WeakPolarHBondContact CD1-O 3.09Å; F44-K52 HydrophobicContact CE1-CB 3.87Å; F44-K52 HydrophobicContact CE2-CB 4.27Å; F44-K52 HydrophobicContact CZ-CB 3.77Å; F44-K52 PolarHBondContact N-O 2.91Å; F44-K52 PolarHBondContact O-N 3.48Å; F44-P53 WeakPolarHBondContact CE1-O 3.16Å; F44-F54 HydrophobicContact CB-CD2 4.4Å; F44-F54 HydrophobicContact CB-CE1 4.05Å; F44-F54 HydrophobicContact CB-CE2 3.65Å; F44-F54 HydrophobicContact CB-CZ 3.48Å; F44-F54 VanDerWaalsContact CB-CZ 3.48Å; F44-F54 AromaticContact CD1-CD1 3.85Å; F44-F54 HydrophobicContact CD1-CD1 3.85Å; F44-F54 HydrophobicContact CD1-CD2 4.16Å; F44-F54 AromaticContact CD1-CE1 3.9Å; F44-F54 HydrophobicContact CD1-CE1 3.9Å; F44-F54 HydrophobicContact CD1-CE2 4.19Å; F44-F54 HydrophobicContact CD1-CG 4.01Å; F44-F54 HydrophobicContact CD1-CZ 4.1Å; F44-F54 HydrophobicContact CE1-CD1 4.46Å; F44-F54 HydrophobicContact CG-CE1 4.22Å; F44-F54 HydrophobicContact CG-CE2 4.4Å; F44-F54 HydrophobicContact CG-CZ 4.13Å; F44-A127 HydrophobicContact CE2-CB 4.33Å; F44-R131 HydrophobicContact CD2-CB 4.38Å; F44-R131 HydrophobicContact CD2-CG 4.02Å; F44-R131 HydrophobicContact CE2-CG 4.07Å
45L87.6Confident85.7Confident71 Ų7173.5 Ų73.537%0.37238%0.375SS..EExtended strand (participates in β ladder)trans-89136.4174.8-64.4172.2000110.2R51L45-R51 HydrophobicContact CD2-CG 3.61Å
46T85.1Confident86.5Confident16 Ų1674.4 Ų74.410%0.09839%0.385CS..  trans-88166.8169.960.40000111F44 T48 G49 E50 K52 A127F44-T46 HydrophobicContact CE2-CG2 4.27Å; T46-T48 PolarHBondContact O-N 2.88Å; T46-T48 VanDerWaalsContact O-N 3.15Å; T46-T48 PolarHBondContact OG1-OG1 3.27Å; T46-G49 PolarHBondContact O-N 3.49Å; T46-E50 PolarHBondContact N-O 3.2Å; T46-E50 WeakPolarHBondContact OG1-CA 3.2Å; T46-E50 WeakPolarHBondContact OG1-CB 3.35Å; T46-E50 PolarHBondContact OG1-N 2.77Å; T46-E50 VanDerWaalsContact OG1-N 3.09Å; T46-E50 PolarHBondContact OG1-O 2.88Å; T46-K52 HydrophobicContact CG2-CB 4.42Å; T46-K52 HydrophobicContact CG2-CD 3.7Å; T46-K52 HydrophobicContact CG2-CG 3.86Å; T46-A127 HydrophobicContact CG2-CB 4.15Å
47A74.9Confident86.4Confident55 Ų5571.7 Ų71.746%0.45537%0.367SS..THydrogen-bonded Turntrans-59.7-23.5176.500000113.2G49A47-G49 VanDerWaalsContact C-N 3.31Å
48T77.9Confident86Confident123 Ų12376.4 Ų76.476%0.75539%0.391SS*.THydrogen-bonded Turntrans-85.8-0175.355.70000113.3T46 E50T46-T48 PolarHBondContact O-N 2.88Å; T46-T48 VanDerWaalsContact O-N 3.15Å; T46-T48 PolarHBondContact OG1-OG1 3.27Å; T48-E50 VanDerWaalsContact C-N 3.28Å; T48-E50 PolarHBondContact O-N 2.51Å
49G79.8Confident85.7Confident52 Ų5276 Ų7654%0.53639%0.392SS..SBendtrans82.3-1.8-176.500000114.6T46 A47T46-G49 PolarHBondContact O-N 3.49Å; A47-G49 VanDerWaalsContact C-N 3.31Å
50E86.8Confident85.4Confident104 Ų10476.4 Ų76.449%0.48640%0.404SS..  trans-69.6139.7175.8-168.1-163.9168.400110.6T46 T48 K52T46-E50 PolarHBondContact N-O 3.2Å; T46-E50 WeakPolarHBondContact OG1-CA 3.2Å; T46-E50 WeakPolarHBondContact OG1-CB 3.35Å; T46-E50 PolarHBondContact OG1-N 2.77Å; T46-E50 VanDerWaalsContact OG1-N 3.09Å; T46-E50 PolarHBondContact OG1-O 2.88Å; T48-E50 VanDerWaalsContact C-N 3.28Å; T48-E50 PolarHBondContact O-N 2.51Å; E50-K52 WeakPolarHBondContact OE2-CE 3.47Å; E50-K52 IonicContact OE2-NZ 2.84Å
51R89Confident85.4Confident169 Ų16975 Ų7564%0.63840%0.398SS*.EExtended strand (participates in β ladder)trans-88.7121.1174.5-72-179.6180-158.71.1110.6F44 L45F44-R51 WeakPolarHBondContact O-CA 3.48Å; L45-R51 HydrophobicContact CD2-CG 3.61Å
52K91.6Very high85.4Confident90 Ų9078.1 Ų78.139%0.39142%0.42SS..EExtended strand (participates in β ladder)trans-116142.2174.9-69.1-168.9179.3-178.70111.4Y43 F44 T46 E50Y43-K52 CarbonylContact C-O 3.44Å; Y43-K52 WeakPolarHBondContact CA-O 3.12Å; F44-K52 HydrophobicContact CD1-CB 4.45Å; F44-K52 VanDerWaalsContact CD1-O 3.22Å; F44-K52 WeakPolarHBondContact CD1-O 3.09Å; F44-K52 HydrophobicContact CE1-CB 3.87Å; F44-K52 HydrophobicContact CE2-CB 4.27Å; F44-K52 HydrophobicContact CZ-CB 3.77Å; F44-K52 PolarHBondContact N-O 2.91Å; F44-K52 PolarHBondContact O-N 3.48Å; T46-K52 HydrophobicContact CG2-CB 4.42Å; T46-K52 HydrophobicContact CG2-CD 3.7Å; T46-K52 HydrophobicContact CG2-CG 3.86Å; E50-K52 WeakPolarHBondContact OE2-CE 3.47Å; E50-K52 IonicContact OE2-NZ 2.84Å
53P93.4Very high85.5Confident86 Ų8676.6 Ų76.656%0.55841%0.413SS*.EExtended strand (participates in β ladder)trans-68.7143.4178.729.2-34.1000110.4K42 Y43 F44K42-P53 CarbonylContact O-C 3.51Å; K42-P53 WeakPolarHBondContact O-CA 3.27Å; Y43-P53 HydrophobicContact CD1-CB 4.15Å; Y43-P53 HydrophobicContact CE1-CB 4.11Å; F44-P53 WeakPolarHBondContact CE1-O 3.16Å
54F91.9Very high85.3Confident18 Ų1874.9 Ų74.98%0.07941%0.408CS..PPolyproline II helixtrans-67.7143166-78.9-77.9000110.1K42 Y43 F44 I104 R131 L133 S151K42-F54 PolarHBondContact O-N 2.91Å; Y43-F54 WeakPolarHBondContact O-CE2 3.42Å; F44-F54 HydrophobicContact CB-CD2 4.4Å; F44-F54 HydrophobicContact CB-CE1 4.05Å; F44-F54 HydrophobicContact CB-CE2 3.65Å; F44-F54 HydrophobicContact CB-CZ 3.48Å; F44-F54 VanDerWaalsContact CB-CZ 3.48Å; F44-F54 AromaticContact CD1-CD1 3.85Å; F44-F54 HydrophobicContact CD1-CD1 3.85Å; F44-F54 HydrophobicContact CD1-CD2 4.16Å; F44-F54 AromaticContact CD1-CE1 3.9Å; F44-F54 HydrophobicContact CD1-CE1 3.9Å; F44-F54 HydrophobicContact CD1-CE2 4.19Å; F44-F54 HydrophobicContact CD1-CG 4.01Å; F44-F54 HydrophobicContact CD1-CZ 4.1Å; F44-F54 HydrophobicContact CE1-CD1 4.46Å; F44-F54 HydrophobicContact CG-CE1 4.22Å; F44-F54 HydrophobicContact CG-CE2 4.4Å; F44-F54 HydrophobicContact CG-CZ 4.13Å; F54-I104 HydrophobicContact CE1-CG2 4.43Å; F54-R131 HydrophobicContact CE1-CB 4.36Å; F54-L133 HydrophobicContact CD2-CD1 4.22Å; F54-L133 HydrophobicContact CE2-CB 4.05Å; F54-L133 HydrophobicContact CE2-CD1 3.54Å; F54-L133 HydrophobicContact CE2-CG 4.28Å; F54-L133 HydrophobicContact CZ-CB 3.67Å; F54-L133 HydrophobicContact CZ-CD1 4.08Å; F54-L133 HydrophobicContact CZ-CG 4.35Å; F54-S151 VanDerWaalsContact CD1-CB 3.48Å
55P88.3Confident85.2Confident29 Ų2974 Ų7419%0.18840%0.404CS..PPolyproline II helixtrans-67.2158.2173.728.8-31.5000110.8R131 S151 R153P55-R131 VanDerWaalsContact CD-NH1 3.3Å; P55-S151 WeakPolarHBondContact CD-O 3.45Å; P55-R153 HydrophobicContact CB-CB 4.5Å; P55-R153 HydrophobicContact CG-CB 3.83Å; P55-R153 HydrophobicContact CG-CG 4.4Å
56S79.6Confident85.5Confident52 Ų5270.6 Ų70.636%0.36439%0.386SS..PPolyproline II helixtrans-85.2151.5170.4-178.30000110.3H58 D59S56-H58 PolarHBondContact O-N 3.34Å; S56-H58 VanDerWaalsContact O-N 3.16Å; S56-H58 PolarHBondContact OG-N 3.49Å; S56-D59 WeakPolarHBondContact CB-OD2 3.3Å; S56-D59 PolarHBondContact N-OD2 2.99Å; S56-D59 WeakPolarHBondContact O-CB 3.49Å; S56-D59 PolarHBondContact O-N 3.27Å; S56-D59 VanDerWaalsContact O-N 3.07Å
57L72.2Confident85.9Confident24 Ų2469.8 Ų69.813%0.12638%0.382CS..THydrogen-bonded Turntrans-62.2-20.3172.2-171.868.9000113D59 I157 F188 F190L57-D59 VanDerWaalsContact C-N 3.35Å; L57-I157 HydrophobicContact CD1-CD1 4.22Å; L57-F188 HydrophobicContact CD1-CD1 3.69Å; L57-F188 HydrophobicContact CD1-CE1 3.39Å; L57-F188 HydrophobicContact CD1-CZ 4.08Å; L57-F188 HydrophobicContact CG-CD1 4.37Å; L57-F188 HydrophobicContact CG-CE1 4.24Å; L57-F190 HydrophobicContact CD1-CE1 3.97Å; L57-F190 HydrophobicContact CD1-CZ 3.62Å; L57-F190 HydrophobicContact CD2-CE1 4.39Å; L57-F190 HydrophobicContact CD2-CE2 4.5Å; L57-F190 HydrophobicContact CD2-CZ 3.61Å; L57-F190 HydrophobicContact CG-CZ 4.18Å
58H76.9Confident86.8Confident173 Ų17367.2 Ų67.280%0.80136%0.36SS*.THydrogen-bonded Turntrans-84.7-10.6177.9-61.4-55.5000113.5S56S56-H58 PolarHBondContact O-N 3.34Å; S56-H58 VanDerWaalsContact O-N 3.16Å; S56-H58 PolarHBondContact OG-N 3.49Å
59D80.3Confident87.7Confident78 Ų7861.3 Ų61.342%0.41732%0.324SS..SBendtrans-72.7151.3176.2-60.4-27.9000109.8S56 L57 F61S56-D59 WeakPolarHBondContact CB-OD2 3.3Å; S56-D59 PolarHBondContact N-OD2 2.99Å; S56-D59 WeakPolarHBondContact O-CB 3.49Å; S56-D59 PolarHBondContact O-N 3.27Å; S56-D59 VanDerWaalsContact O-N 3.07Å; L57-D59 VanDerWaalsContact C-N 3.35Å; D59-F61 PolarHBondContact O-N 3.2Å
60P83.6Confident88.4Confident117 Ų11759.4 Ų59.476%0.7630%0.302SS*.PPolyproline II helixtrans-58.1138.8173.525-33.9000110.3S62P60-S62 PolarHBondContact O-N 3.41Å
61F87.6Confident88.8Confident115 Ų11554.6 Ų54.650%0.50428%0.28SS..PPolyproline II helixtrans-62.6139.9177.264.4-93.7000110.2D59 R153 K155D59-F61 PolarHBondContact O-N 3.2Å; F61-R153 WeakPolarHBondContact CA-O 3.35Å; F61-K155 HydrophobicContact CB-CB 4.19Å; F61-K155 HydrophobicContact CD1-CB 4.25Å; F61-K155 HydrophobicContact CD1-CG 4.34Å; F61-K155 HydrophobicContact CD2-CB 3.89Å; F61-K155 HydrophobicContact CE1-CD 4.43Å; F61-K155 HydrophobicContact CE1-CG 4.44Å; F61-K155 HydrophobicContact CE2-CB 4.36Å; F61-K155 HydrophobicContact CE2-CD 4.27Å; F61-K155 HydrophobicContact CG-CB 3.84Å; F61-K155 HydrophobicContact CG-CG 4.41Å; F61-K155 HydrophobicContact CZ-CD 4.19Å
62S91.1Very high89.1Confident66 Ų6650.8 Ų50.846%0.46227%0.267SS..  trans-120.4-1.5175.148.30000112.8P60 R153P60-S62 PolarHBondContact O-N 3.41Å; S62-R153 PolarHBondContact N-O 2.82Å; S62-R153 WeakPolarHBondContact OG-CD 3.2Å
63R92.6Very high89.3Confident45 Ų4549.5 Ų49.517%0.1726%0.264CS..EExtended strand (participates in β ladder)trans-127.6154.2171.4-59.8-63.1167.9-153.8-0.6110.5T100 E102 D128 R153 G154 K155R63-T100 WeakPolarHBondContact CA-OG1 3.32Å; R63-E102 HydrophobicContact CG-CB 4.39Å; R63-E102 HydrophobicContact CG-CG 4.34Å; R63-D128 IonicContact CZ-OD1 2.95Å; R63-D128 IonicContact CZ-OD2 3.49Å; R63-D128 IonicContact NE-OD1 3.29Å; R63-D128 IonicContact NH2-OD1 2.74Å; R63-D128 PolarHBondContact NH2-OD1 3.11Å; R63-D128 IonicContact NH2-OD2 2.74Å; R63-D128 PolarHBondContact NH2-OD2 3.3Å; R63-R153 HydrophobicContact CG-CG 3.97Å; R63-R153 PolarHBondContact N-O 2.95Å; R63-R153 VanDerWaalsContact N-O 3.14Å; R63-R153 VanDerWaalsContact NE-CZ 3.33Å; R63-G154 CarbonylContact O-C 3.57Å; R63-G154 VanDerWaalsContact O-CA 3.32Å; R63-G154 WeakPolarHBondContact O-CA 3.21Å; R63-K155 PolarHBondContact O-N 2.88Å
64E89.6Confident89.3Confident66 Ų6646.7 Ų46.731%0.30824%0.243SC..EExtended strand (participates in β ladder)trans-77.5-42.8173.5-166.4168.8-174.900110.7F99 T100 K155 L156E64-F99 HydrophobicContact CB-CD2 4.34Å; E64-F99 HydrophobicContact CG-CD2 4.41Å; E64-F99 WeakPolarHBondContact OE2-CA 3.29Å; E64-F99 WeakPolarHBondContact OE2-CD2 3.4Å; E64-T100 WeakPolarHBondContact CA-O 3.43Å; E64-T100 VanDerWaalsContact CB-O 3.29Å; E64-T100 WeakPolarHBondContact CB-O 3.46Å; E64-T100 PolarHBondContact N-O 3.32Å; E64-T100 PolarHBondContact N-OG1 2.96Å; E64-K155 PolarHBondContact O-N 3.32Å; E64-L156 PolarHBondContact O-N 3.02Å
65L90.1Very high89.5Confident4 Ų448.8 Ų48.82%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-128.1133.4-179.3-177.966000112.5V67 L89 F99 T100 Y101 E102 L156 L158 L171L65-V67 HydrophobicContact CD2-CG2 3.99Å; L65-V67 HydrophobicContact CG-CG2 4.11Å; L65-L89 HydrophobicContact CD2-CD2 3.95Å; L65-F99 HydrophobicContact CB-CE2 4.08Å; L65-F99 HydrophobicContact CB-CZ 4.06Å; L65-F99 HydrophobicContact CD2-CE2 4.49Å; L65-F99 HydrophobicContact CD2-CZ 3.98Å; L65-T100 PolarHBondContact N-O 2.79Å; L65-T100 VanDerWaalsContact N-O 3.12Å; L65-Y101 CarbonylContact O-C 3.49Å; L65-Y101 WeakPolarHBondContact O-CA 3.36Å; L65-E102 PolarHBondContact O-N 2.84Å; L65-L156 CarbonylContact C-O 3.56Å; L65-L156 WeakPolarHBondContact CA-O 3.39Å; L65-L156 HydrophobicContact CD1-CB 3.99Å; L65-L158 HydrophobicContact CD1-CB 3.97Å; L65-L171 HydrophobicContact CD2-CD2 3.72Å
66S92.7Very high89.7Confident0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-113.4123.4164.5-63.80000110.1E102 G154 L156 I157 L158S66-E102 WeakPolarHBondContact CB-OE1 3.33Å; S66-E102 VanDerWaalsContact OG-CD 3.31Å; S66-E102 VanDerWaalsContact OG-CG 3.27Å; S66-E102 WeakPolarHBondContact OG-CG 3.24Å; S66-E102 PolarHBondContact OG-OE1 2.54Å; S66-G154 WeakPolarHBondContact OG-CA 3.39Å; S66-G154 PolarHBondContact OG-N 3.35Å; S66-L156 PolarHBondContact N-O 2.82Å; S66-I157 CarbonylContact O-C 3.46Å; S66-I157 WeakPolarHBondContact O-CA 3.42Å; S66-L158 PolarHBondContact O-N 2.85Å
67V94.6Very high90.2Very high0 Ų058.3 Ų58.30%029%0.288CS..EExtended strand (participates in β ladder)trans-99116.3173.8-172.40000108.8L65 I69 L89 E102 V103 I104 L158 A160 F168L65-V67 HydrophobicContact CD2-CG2 3.99Å; L65-V67 HydrophobicContact CG-CG2 4.11Å; V67-I69 HydrophobicContact CG1-CD1 4.25Å; V67-I69 HydrophobicContact CG1-CG1 4Å; V67-L89 HydrophobicContact CG2-CD1 4.1Å; V67-E102 PolarHBondContact N-O 3.36Å; V67-V103 HydrophobicContact CB-CG2 4.28Å; V67-V103 CarbonylContact O-C 3.49Å; V67-V103 WeakPolarHBondContact O-CA 3.28Å; V67-I104 PolarHBondContact O-N 2.82Å; V67-L158 CarbonylContact C-O 3.56Å; V67-L158 WeakPolarHBondContact CA-O 3.47Å; V67-L158 HydrophobicContact CG1-CD2 4.24Å; V67-L158 HydrophobicContact CG1-CG 4.42Å; V67-L158 HydrophobicContact CG2-CD2 4.07Å; V67-A160 HydrophobicContact CG1-CB 3.93Å; V67-F168 HydrophobicContact CG1-CE1 4Å; V67-F168 HydrophobicContact CG1-CZ 4.02Å; V67-F168 HydrophobicContact CG2-CE1 4.37Å
68V94.2Very high91.3Very high0 Ų057.2 Ų57.20%028%0.282CS..EExtended strand (participates in β ladder)trans-100.4122.6178.2177.60000109V106 I157 L158 M159 A160V68-V106 HydrophobicContact CG1-CG2 4.06Å; V68-I157 HydrophobicContact CG2-CG2 3.91Å; V68-L158 PolarHBondContact N-O 3.41Å; V68-M159 WeakPolarHBondContact O-CA 3.45Å; V68-A160 PolarHBondContact O-N 2.98Å
69I95.1Very high92.2Very high0 Ų050.5 Ų50.50%025%0.254CS..EExtended strand (participates in β ladder)trans-120.798.9-175.2-55.5177.6000108.3V67 M81 L82 V103 I104 V106 A160 A162V67-I69 HydrophobicContact CG1-CD1 4.25Å; V67-I69 HydrophobicContact CG1-CG1 4Å; I69-M81 HydrophobicContact CD1-CE 3.85Å; I69-M81 HydrophobicContact CD1-SD 3.87Å; I69-M81 HydrophobicContact CG2-CE 3.76Å; I69-L82 HydrophobicContact CD1-CD2 3.61Å; I69-V103 HydrophobicContact CD1-CG1 3.47Å; I69-V103 VanDerWaalsContact CD1-CG1 3.47Å; I69-V103 HydrophobicContact CG1-CG1 4.23Å; I69-I104 PolarHBondContact N-O 3Å; I69-V106 PolarHBondContact O-N 2.99Å; I69-A160 WeakPolarHBondContact CA-O 3.36Å; I69-A160 HydrophobicContact CG1-CB 4.37Å; I69-A162 HydrophobicContact CG2-CB 4.01Å
70P94.9Very high92.7Very high12 Ų1254 Ų548%0.07827%0.27CS..EExtended strand (participates in β ladder)trans-70.1131.9172.331.2-34.4000109.9K141 A144 V145 A160 A162P70-K141 HydrophobicContact CB-CG 4.37Å; P70-K141 HydrophobicContact CG-CG 4.11Å; P70-A144 HydrophobicContact CB-CB 3.77Å; P70-V145 HydrophobicContact CB-CG2 4.03Å; P70-V145 HydrophobicContact CG-CG2 3.73Å; P70-A160 WeakPolarHBondContact CD-O 3.37Å; P70-A162 WeakPolarHBondContact O-CB 3.34Å
71A95.4Very high93.1Very high3 Ų348.6 Ų48.63%0.02523%0.234CC..EExtended strand (participates in β ladder)trans-133.9135.7-179.900000110.6E74 M78 V105 V106 D107 D108 T114 A162A71-E74 HydrophobicContact CB-CB 4.28Å; A71-E74 HydrophobicContact CB-CG 4.24Å; A71-M78 HydrophobicContact CB-SD 4.15Å; A71-V105 HydrophobicContact CB-CG1 4.23Å; A71-V106 PolarHBondContact N-O 3.25Å; A71-D107 WeakPolarHBondContact O-CA 3.46Å; A71-D108 PolarHBondContact O-N 2.9Å; A71-T114 HydrophobicContact CB-CG2 3.75Å; A71-A162 HydrophobicContact CB-CB 4.34Å
72Y95.7Very high93.5Very high88 Ų8843.1 Ų43.135%0.34521%0.21SC..SBendtrans-145.3112171178.6-109.2000109.7D108 S110 N138Y72-D108 WeakPolarHBondContact CD2-O 3.3Å; Y72-S110 WeakPolarHBondContact CA-OG 3.42Å; Y72-N138 WeakPolarHBondContact CD2-ND2 3.4Å; Y72-N138 HydrophobicContact CE2-CB 4.29Å; Y72-N138 WeakPolarHBondContact CE2-ND2 3.28Å
73N96.1Very high93.7Very high64 Ų6443.3 Ų43.334%0.34221%0.206SC..SBendtrans52.853.6-173.2-57.1-26.8000113.2S110 R111 D112N73-S110 PolarHBondContact N-OG 2.94Å; N73-S110 WeakPolarHBondContact OD1-CA 3.45Å; N73-S110 WeakPolarHBondContact OD1-CB 3.46Å; N73-R111 PolarHBondContact OD1-N 2.83Å; N73-D112 WeakPolarHBondContact CA-OD2 3.35Å
74E93.8Very high93.8Very high26 Ų2643.3 Ų43.312%0.12121%0.208CC..  trans-113.420-173.9-64.1-67.4179.200113.3A71 L76 R77 M78 D112 T114 A162A71-E74 HydrophobicContact CB-CB 4.28Å; A71-E74 HydrophobicContact CB-CG 4.24Å; E74-L76 PolarHBondContact O-N 3.19Å; E74-R77 PolarHBondContact O-N 3.04Å; E74-R77 IonicContact OE1-CZ 2.66Å; E74-R77 IonicContact OE1-NE 3.49Å; E74-R77 IonicContact OE1-NH2 3.64Å; E74-R77 PolarHBondContact OE1-NH2 3.16Å; E74-R77 IonicContact OE2-CZ 3.14Å; E74-R77 IonicContact OE2-NE 3.68Å; E74-R77 PolarHBondContact OE2-NE 2.9Å; E74-R77 IonicContact OE2-NH2 2.77Å; E74-R77 PolarHBondContact OE2-NH2 2.84Å; E74-M78 HydrophobicContact CB-CB 3.97Å; E74-M78 WeakPolarHBondContact O-CB 3.36Å; E74-M78 PolarHBondContact O-N 3.29Å; E74-D112 PolarHBondContact N-OD2 3.4Å; E74-T114 PolarHBondContact N-OG1 3.36Å; E74-A162 HydrophobicContact CB-CB 4.26Å; E74-A162 HydrophobicContact CG-CB 3.86Å
75E94.4Very high93.9Very high63 Ų6340.2 Ų40.229%0.29419%0.193SC..THydrogen-bonded Turntrans-54-30.4-173.572.3-178.1-17800114.1P79 D112 K113 T114 V117E75-P79 WeakPolarHBondContact O-CD 3.41Å; E75-P79 WeakPolarHBondContact O-CG 3.4Å; E75-D112 WeakPolarHBondContact CB-OD2 3.41Å; E75-D112 HydrophobicContact CG-CB 4.32Å; E75-D112 WeakPolarHBondContact CG-OD2 3.46Å; E75-D112 PolarHBondContact N-OD2 2.85Å; E75-K113 HydrophobicContact CB-CB 4.49Å; E75-K113 WeakPolarHBondContact OE2-CA 3.3Å; E75-K113 WeakPolarHBondContact OE2-CB 3.41Å; E75-K113 WeakPolarHBondContact OE2-CG 3.45Å; E75-K113 PolarHBondContact OE2-N 2.84Å; E75-T114 PolarHBondContact N-OG1 3.25Å; E75-V117 HydrophobicContact CB-CG2 4.19Å
76L93.7Very high94.2Very high147 Ų14740 Ų4077%0.7719%0.192SC*.THydrogen-bonded Turntrans-90.4-33.8-178.2-59.3-178.7000113.9E74E74-L76 PolarHBondContact O-N 3.19Å
77R90.8Very high94.4Very high134 Ų13446 Ų4651%0.50622%0.221SC..THydrogen-bonded Turntrans-94.8-38.4-172-64.8-171.2-67.2-180-3.7112.7E74 M80E74-R77 PolarHBondContact O-N 3.04Å; E74-R77 IonicContact OE1-CZ 2.66Å; E74-R77 IonicContact OE1-NE 3.49Å; E74-R77 IonicContact OE1-NH2 3.64Å; E74-R77 PolarHBondContact OE1-NH2 3.16Å; E74-R77 IonicContact OE2-CZ 3.14Å; E74-R77 IonicContact OE2-NE 3.68Å; E74-R77 PolarHBondContact OE2-NE 2.9Å; E74-R77 IonicContact OE2-NH2 2.77Å; E74-R77 PolarHBondContact OE2-NH2 2.84Å; R77-M80 PolarHBondContact O-N 3.39Å
78M94.1Very high94.4Very high0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-56.8-39.1-177.7-177.7-176.963.300114.4A71 E74 M80 M81 L82 V105 T114 V117 A118 A162A71-M78 HydrophobicContact CB-SD 4.15Å; E74-M78 HydrophobicContact CB-CB 3.97Å; E74-M78 WeakPolarHBondContact O-CB 3.36Å; E74-M78 PolarHBondContact O-N 3.29Å; M78-M80 VanDerWaalsContact C-N 3.33Å; M78-M80 PolarHBondContact O-N 2.84Å; M78-M81 HydrophobicContact CG-CE 4.14Å; M78-M81 PolarHBondContact O-N 3.12Å; M78-L82 HydrophobicContact CE-CD1 4.23Å; M78-L82 HydrophobicContact CG-CD1 3.64Å; M78-L82 HydrophobicContact CG-CG 3.89Å; M78-L82 PolarHBondContact O-N 2.88Å; M78-L82 HydrophobicContact SD-CD1 4Å; M78-V105 HydrophobicContact SD-CG1 3.64Å; M78-T114 HydrophobicContact CE-CG2 4.11Å; M78-T114 WeakPolarHBondContact CE-O 3.41Å; M78-T114 HydrophobicContact SD-CG2 4.28Å; M78-V117 HydrophobicContact CE-CB 3.88Å; M78-V117 HydrophobicContact CE-CG1 3.58Å; M78-A118 HydrophobicContact CE-CB 3.92Å; M78-A118 HydrophobicContact SD-CB 4.43Å; M78-A162 WeakPolarHBondContact CA-O 3.47Å
79P94.9Very high94.4Very high32 Ų3248.2 Ų48.221%0.20823%0.229CC..Hα-helixtrans-55.7-44.7-179-27.434.7000113.8E75 M81 L82 D83 V117 Y121E75-P79 WeakPolarHBondContact O-CD 3.41Å; E75-P79 WeakPolarHBondContact O-CG 3.4Å; P79-M81 VanDerWaalsContact C-N 3.33Å; P79-M81 PolarHBondContact O-N 3.04Å; P79-L82 PolarHBondContact O-N 3.5Å; P79-D83 WeakPolarHBondContact O-CB 3.44Å; P79-D83 VanDerWaalsContact O-CG 3.31Å; P79-D83 PolarHBondContact O-N 3.12Å; P79-V117 HydrophobicContact CG-CG1 3.64Å; P79-Y121 VanDerWaalsContact CA-OH 3.31Å; P79-Y121 WeakPolarHBondContact CA-OH 3.16Å; P79-Y121 PolarHBondContact O-OH 3.47Å
80M92.7Very high94.5Very high153 Ų15350 Ų5075%0.75424%0.238SC*.Hα-helixtrans-62.2-43.1-177.8-176.8-179.1-69.200111.5R77 M78 E84R77-M80 PolarHBondContact O-N 3.39Å; M78-M80 VanDerWaalsContact C-N 3.33Å; M78-M80 PolarHBondContact O-N 2.84Å; M80-E84 PolarHBondContact O-N 3.46Å; M80-E84 VanDerWaalsContact O-N 3.15Å
81M92.1Very high94.5Very high3 Ų352.7 Ų52.72%0.01525%0.251CS..Hα-helixtrans-70.9-38.4177.7176-74.8-43.700111.6I69 M78 P79 E84 A85 F168I69-M81 HydrophobicContact CD1-CE 3.85Å; I69-M81 HydrophobicContact CD1-SD 3.87Å; I69-M81 HydrophobicContact CG2-CE 3.76Å; M78-M81 HydrophobicContact CG-CE 4.14Å; M78-M81 PolarHBondContact O-N 3.12Å; P79-M81 VanDerWaalsContact C-N 3.33Å; P79-M81 PolarHBondContact O-N 3.04Å; M81-E84 PolarHBondContact O-N 2.94Å; M81-A85 VanDerWaalsContact O-CB 3.3Å; M81-A85 WeakPolarHBondContact O-CB 3.1Å; M81-A85 PolarHBondContact O-N 2.82Å; M81-A85 HydrophobicContact SD-CB 4.45Å; M81-F168 HydrophobicContact CG-CE2 4.37Å; M81-F168 HydrophobicContact SD-CE2 3.89Å; M81-F168 HydrophobicContact SD-CZ 4.36Å
82L95.1Very high94.5Very high0 Ų054.5 Ų54.50%026%0.258CS..Hα-helixtrans-65.6-39.1175.4-76.6178000111.8I69 M78 P79 A85 M86 V103 V105 Y121I69-L82 HydrophobicContact CD1-CD2 3.61Å; M78-L82 HydrophobicContact CE-CD1 4.23Å; M78-L82 HydrophobicContact CG-CD1 3.64Å; M78-L82 HydrophobicContact CG-CG 3.89Å; M78-L82 PolarHBondContact O-N 2.88Å; M78-L82 HydrophobicContact SD-CD1 4Å; P79-L82 PolarHBondContact O-N 3.5Å; L82-A85 PolarHBondContact O-N 2.84Å; L82-M86 WeakPolarHBondContact O-CB 3.18Å; L82-M86 WeakPolarHBondContact O-CG 3.45Å; L82-M86 PolarHBondContact O-N 3.46Å; L82-V103 HydrophobicContact CD2-CG1 4.11Å; L82-V105 HydrophobicContact CD1-CG2 4.25Å; L82-V105 HydrophobicContact CD2-CG2 4.04Å; L82-Y121 HydrophobicContact CB-CD1 3.9Å; L82-Y121 HydrophobicContact CB-CD2 4.46Å; L82-Y121 HydrophobicContact CB-CE1 3.51Å; L82-Y121 HydrophobicContact CB-CE2 4.12Å; L82-Y121 HydrophobicContact CB-CG 4.38Å; L82-Y121 HydrophobicContact CD1-CD1 4.26Å; L82-Y121 HydrophobicContact CD1-CD2 3.56Å; L82-Y121 HydrophobicContact CD1-CE1 4.38Å; L82-Y121 HydrophobicContact CD1-CE2 3.71Å; L82-Y121 HydrophobicContact CD1-CG 3.88Å
83D95.2Very high94.4Very high70 Ų7052.4 Ų52.437%0.37425%0.251SS..Hα-helixtrans-61.9-45.6175.2-73.4-22.8000111.1P79 Q87 Y121P79-D83 WeakPolarHBondContact O-CB 3.44Å; P79-D83 VanDerWaalsContact O-CG 3.31Å; P79-D83 PolarHBondContact O-N 3.12Å; D83-Q87 VanDerWaalsContact O-CB 3.26Å; D83-Q87 WeakPolarHBondContact O-CB 3.25Å; D83-Q87 PolarHBondContact O-N 2.94Å; D83-Y121 VanDerWaalsContact CG-OH 3.29Å; D83-Y121 WeakPolarHBondContact OD1-CE1 3.42Å; D83-Y121 PolarHBondContact OD1-OH 3.49Å
84E93.8Very high94.4Very high45 Ų4556.6 Ų56.621%0.2127%0.266CS..Hα-helixtrans-59.7-48.7174.2-172.4-170.6137.500111.3M80 M81 Q87 Y88 K167 F168M80-E84 PolarHBondContact O-N 3.46Å; M80-E84 VanDerWaalsContact O-N 3.15Å; M81-E84 PolarHBondContact O-N 2.94Å; E84-Q87 PolarHBondContact O-N 2.91Å; E84-Y88 WeakPolarHBondContact O-CB 3.4Å; E84-Y88 PolarHBondContact O-N 3.07Å; E84-K167 WeakPolarHBondContact OE1-CA 3.38Å; E84-K167 VanDerWaalsContact OE1-CD 3.28Å; E84-K167 WeakPolarHBondContact OE1-CD 3.21Å; E84-K167 WeakPolarHBondContact OE2-CD 3.32Å; E84-K167 IonicContact OE2-NZ 2.74Å; E84-K167 PolarHBondContact OE2-NZ 2.77Å; E84-F168 PolarHBondContact OE1-N 2.87Å
85A93.3Very high94.5Very high0 Ų063.2 Ų63.20%030%0.297CS..Hα-helixtrans-58.1-52.3179.800000111.6M81 L82 Q87 Y88 L89 F168M81-A85 VanDerWaalsContact O-CB 3.3Å; M81-A85 WeakPolarHBondContact O-CB 3.1Å; M81-A85 PolarHBondContact O-N 2.82Å; M81-A85 HydrophobicContact SD-CB 4.45Å; L82-A85 PolarHBondContact O-N 2.84Å; A85-Q87 PolarHBondContact O-N 3.33Å; A85-Y88 PolarHBondContact O-N 2.82Å; A85-L89 WeakPolarHBondContact O-CB 3.32Å; A85-L89 WeakPolarHBondContact O-CG 3.35Å; A85-L89 PolarHBondContact O-N 3.49Å; A85-F168 HydrophobicContact CB-CD1 4.32Å; A85-F168 HydrophobicContact CB-CD2 3.78Å; A85-F168 HydrophobicContact CB-CE1 3.87Å; A85-F168 HydrophobicContact CB-CE2 3.28Å; A85-F168 HydrophobicContact CB-CG 4.28Å; A85-F168 HydrophobicContact CB-CZ 3.33Å
86M96Very high94.5Very high0 Ų063.4 Ų63.40%030%0.3CS..Hα-helixtrans-66.8-39-177.6-66.2-50.9-67.100111L82 E90 Y101 V103 Y121 Y125 K129 V130L82-M86 WeakPolarHBondContact O-CB 3.18Å; L82-M86 WeakPolarHBondContact O-CG 3.45Å; L82-M86 PolarHBondContact O-N 3.46Å; M86-E90 WeakPolarHBondContact O-CB 3.48Å; M86-E90 WeakPolarHBondContact O-CG 3.19Å; M86-E90 PolarHBondContact O-N 3.4Å; M86-Y101 HydrophobicContact CE-CE2 3.98Å; M86-Y101 WeakPolarHBondContact CE-OH 3.26Å; M86-Y101 HydrophobicContact SD-CE2 4.24Å; M86-V103 HydrophobicContact SD-CG2 3.78Å; M86-Y121 HydrophobicContact CG-CD1 4.35Å; M86-Y125 HydrophobicContact CB-CE1 4.13Å; M86-Y125 HydrophobicContact CB-CE2 3.96Å; M86-Y125 HydrophobicContact CE-CD1 3.55Å; M86-Y125 HydrophobicContact CE-CD2 3.73Å; M86-Y125 HydrophobicContact CE-CE1 4Å; M86-Y125 HydrophobicContact CE-CE2 4.17Å; M86-Y125 HydrophobicContact CE-CG 3.41Å; M86-Y125 VanDerWaalsContact CE-CG 3.41Å; M86-Y125 HydrophobicContact CG-CD2 4.16Å; M86-Y125 HydrophobicContact CG-CE2 3.83Å; M86-K129 HydrophobicContact CE-CB 4.38Å; M86-V130 HydrophobicContact CE-CG2 3.56Å; M86-V130 HydrophobicContact SD-CG2 3.67Å
87Q95.6Very high94.4Very high127 Ų12761.5 Ų61.559%0.59330%0.296SS*.Hα-helixtrans-60.3-47.9174.8-175.9-179.918.500111.4D83 E84 A85 N91D83-Q87 VanDerWaalsContact O-CB 3.26Å; D83-Q87 WeakPolarHBondContact O-CB 3.25Å; D83-Q87 PolarHBondContact O-N 2.94Å; E84-Q87 PolarHBondContact O-N 2.91Å; A85-Q87 PolarHBondContact O-N 3.33Å; Q87-N91 VanDerWaalsContact O-CB 3.32Å; Q87-N91 WeakPolarHBondContact O-CB 3.35Å; Q87-N91 PolarHBondContact O-N 2.91Å; Q87-N91 PolarHBondContact O-ND2 3.2Å
88Y94.9Very high94.5Very high46 Ų4660.3 Ų60.318%0.1830%0.304CS..Hα-helixtrans-63.1-49.6179.5179-85.6000111.6E84 A85 N91 R92 F168 L171 D172E84-Y88 WeakPolarHBondContact O-CB 3.4Å; E84-Y88 PolarHBondContact O-N 3.07Å; A85-Y88 PolarHBondContact O-N 2.82Å; Y88-N91 PolarHBondContact O-N 2.81Å; Y88-R92 WeakPolarHBondContact O-CB 3.47Å; Y88-R92 PolarHBondContact O-N 2.82Å; Y88-F168 HydrophobicContact CD1-CB 4.02Å; Y88-F168 HydrophobicContact CD2-CB 4.26Å; Y88-F168 WeakPolarHBondContact CE2-O 3.28Å; Y88-F168 HydrophobicContact CG-CB 3.79Å; Y88-L171 HydrophobicContact CE1-CB 4.31Å; Y88-L171 HydrophobicContact CE1-CD2 3.94Å; Y88-D172 PolarHBondContact OH-OD1 2.79Å; Y88-D172 PolarHBondContact OH-OD2 3.47Å
89L95.2Very high94.5Very high0 Ų060.4 Ų60.40%030%0.304CS..Hα-helixtrans-67.6-39.5-176.7-66.3168.2000112.6L65 V67 A85 R92 Q93 F99 Y101 V103L65-L89 HydrophobicContact CD2-CD2 3.95Å; V67-L89 HydrophobicContact CG2-CD1 4.1Å; A85-L89 WeakPolarHBondContact O-CB 3.32Å; A85-L89 WeakPolarHBondContact O-CG 3.35Å; A85-L89 PolarHBondContact O-N 3.49Å; L89-R92 PolarHBondContact O-N 3.41Å; L89-Q93 WeakPolarHBondContact O-CB 3.47Å; L89-Q93 PolarHBondContact O-N 2.74Å; L89-F99 HydrophobicContact CD2-CE1 4.2Å; L89-F99 HydrophobicContact CD2-CZ 4.16Å; L89-Y101 HydrophobicContact CB-CD1 3.98Å; L89-Y101 HydrophobicContact CB-CD2 3.88Å; L89-Y101 HydrophobicContact CB-CE1 3.78Å; L89-Y101 HydrophobicContact CB-CE2 3.66Å; L89-Y101 HydrophobicContact CB-CG 4.02Å; L89-Y101 HydrophobicContact CD1-CD2 3.61Å; L89-Y101 HydrophobicContact CD1-CE2 3.73Å; L89-Y101 HydrophobicContact CD1-CG 4.31Å; L89-Y101 HydrophobicContact CD2-CD2 4.42Å; L89-Y101 HydrophobicContact CD2-CG 4.32Å; L89-Y101 HydrophobicContact CG-CD2 4.17Å; L89-Y101 HydrophobicContact CG-CE2 4.28Å; L89-Y101 HydrophobicContact CG-CG 4.45Å; L89-V103 HydrophobicContact CD1-CG2 3.79Å
90E96.3Very high94.6Very high38 Ų3860.5 Ų60.518%0.17830%0.304CS..Hα-helixtrans-63.3-43.1173.1-74.9-62.3101.300111.6M86 R92 Q93 K94 Y101 Y125 K129M86-E90 WeakPolarHBondContact O-CB 3.48Å; M86-E90 WeakPolarHBondContact O-CG 3.19Å; M86-E90 PolarHBondContact O-N 3.4Å; E90-R92 VanDerWaalsContact C-N 3.34Å; E90-Q93 PolarHBondContact O-N 3.42Å; E90-K94 VanDerWaalsContact O-CG 3.3Å; E90-K94 WeakPolarHBondContact O-CG 3.5Å; E90-K94 PolarHBondContact O-N 3.14Å; E90-Y101 WeakPolarHBondContact OE1-CE1 3.18Å; E90-Y101 PolarHBondContact OE1-OH 3.34Å; E90-Y125 HydrophobicContact CG-CE1 4.17Å; E90-K129 VanDerWaalsContact CD-NZ 3.3Å; E90-K129 WeakPolarHBondContact OE1-CE 3.36Å; E90-K129 IonicContact OE1-NZ 2.71Å; E90-K129 PolarHBondContact OE1-NZ 3.21Å; E90-K129 IonicContact OE2-NZ 3.7Å; E90-K129 PolarHBondContact OE2-NZ 3.33Å; E90-K129 VanDerWaalsContact OE2-NZ 3.14Å
91N95.8Very high94.7Very high67 Ų6753.3 Ų53.336%0.35827%0.269SS..Hα-helixtrans-64-41.6177.6-73.4-17.1000111.4Q87 Y88 K94 Q95Q87-N91 VanDerWaalsContact O-CB 3.32Å; Q87-N91 WeakPolarHBondContact O-CB 3.35Å; Q87-N91 PolarHBondContact O-N 2.91Å; Q87-N91 PolarHBondContact O-ND2 3.2Å; Y88-N91 PolarHBondContact O-N 2.81Å; N91-K94 WeakPolarHBondContact O-CB 3.47Å; N91-K94 PolarHBondContact O-N 3.04Å; N91-Q95 WeakPolarHBondContact O-CG 3.42Å; N91-Q95 PolarHBondContact O-N 2.92Å
92R94.1Very high94.9Very high42 Ų4253.2 Ų53.216%0.15827%0.268CS..Hα-helixtrans-62.7-43.1175.6-173.9171.6174.4177-5.2112Y88 L89 E90 K94 Q95 N96 F99 E175Y88-R92 WeakPolarHBondContact O-CB 3.47Å; Y88-R92 PolarHBondContact O-N 2.82Å; L89-R92 PolarHBondContact O-N 3.41Å; E90-R92 VanDerWaalsContact C-N 3.34Å; R92-K94 VanDerWaalsContact C-N 3.34Å; R92-K94 PolarHBondContact O-N 2.84Å; R92-Q95 PolarHBondContact O-N 3.3Å; R92-N96 PolarHBondContact O-N 3.01Å; R92-F99 HydrophobicContact CB-CD1 4.28Å; R92-F99 HydrophobicContact CB-CE1 4.22Å; R92-F99 HydrophobicContact CG-CD1 3.86Å; R92-F99 HydrophobicContact CG-CE1 3.95Å; R92-F99 HydrophobicContact CG-CG 4.23Å; R92-F99 HydrophobicContact CG-CZ 4.39Å; R92-E175 IonicContact CZ-OE1 2.69Å; R92-E175 VanDerWaalsContact CZ-OE1 3.29Å; R92-E175 IonicContact CZ-OE2 3.14Å; R92-E175 IonicContact NH1-OE1 3.97Å; R92-E175 PolarHBondContact NH1-OE1 2.82Å; R92-E175 IonicContact NH1-OE2 2.95Å; R92-E175 PolarHBondContact NH1-OE2 2.95Å; R92-E175 IonicContact NH2-OE1 2.73Å; R92-E175 PolarHBondContact NH2-OE1 2.87Å; R92-E175 IonicContact NH2-OE2 2.66Å; R92-E175 PolarHBondContact NH2-OE2 2.74Å
93Q95Very high95Very high43 Ų4353.2 Ų53.220%0.20127%0.268CS..Hα-helixtrans-64.3-36.3174.7177.7166.770.500112.5L89 E90 Q95 N96 P97 F99 Y101L89-Q93 WeakPolarHBondContact O-CB 3.47Å; L89-Q93 PolarHBondContact O-N 2.74Å; E90-Q93 PolarHBondContact O-N 3.42Å; Q93-Q95 VanDerWaalsContact C-N 3.35Å; Q93-N96 CarbonylContact O-C 3.59Å; Q93-N96 PolarHBondContact O-N 2.82Å; Q93-P97 WeakPolarHBondContact O-CA 3.48Å; Q93-F99 HydrophobicContact CB-CD1 4.23Å; Q93-F99 PolarHBondContact NE2-O 2.9Å; Q93-Y101 HydrophobicContact CB-CE1 4.39Å
94K96.1Very high95.1Very high153 Ų15349.9 Ų49.967%0.66525%0.251SS*.Hα-helixtrans-65-39174.2-73.4170.9-175174.80112.3E90 N91 R92E90-K94 VanDerWaalsContact O-CG 3.3Å; E90-K94 WeakPolarHBondContact O-CG 3.5Å; E90-K94 PolarHBondContact O-N 3.14Å; N91-K94 WeakPolarHBondContact O-CB 3.47Å; N91-K94 PolarHBondContact O-N 3.04Å; R92-K94 VanDerWaalsContact C-N 3.34Å; R92-K94 PolarHBondContact O-N 2.84Å
95Q95.6Very high95.3Very high165 Ų16547.7 Ų47.777%0.77124%0.241SC*.Hα-helixtrans-73.7-34.5178.2-70172.51.600112.3N91 R92 Q93N91-Q95 WeakPolarHBondContact O-CG 3.42Å; N91-Q95 PolarHBondContact O-N 2.92Å; R92-Q95 PolarHBondContact O-N 3.3Å; Q93-Q95 VanDerWaalsContact C-N 3.35Å
96N94.4Very high95.5Very high66 Ų6647.7 Ų47.735%0.35324%0.241SC..  trans-129.397175.9-179.64.5000110.6R92 Q93 T98 F99R92-N96 PolarHBondContact O-N 3.01Å; Q93-N96 CarbonylContact O-C 3.59Å; Q93-N96 PolarHBondContact O-N 2.82Å; N96-T98 PolarHBondContact ND2-OG1 2.95Å; N96-T98 PolarHBondContact O-N 3.4Å; N96-T98 VanDerWaalsContact O-N 3.1Å; N96-T98 PolarHBondContact OD1-N 3.2Å; N96-T98 VanDerWaalsContact OD1-N 3.14Å; N96-T98 PolarHBondContact OD1-OG1 3.4Å; N96-F99 HydrophobicContact CB-CB 4.12Å; N96-F99 VanDerWaalsContact O-CB 3.24Å; N96-F99 WeakPolarHBondContact O-CB 3.31Å; N96-F99 PolarHBondContact O-N 3.4Å
97P92.3Very high95.5Very high108 Ų10847.9 Ų47.970%0.70124%0.242SC*.THydrogen-bonded Turntrans-61.4-20.6-178.8-26.435.7000115Q93 F99Q93-P97 WeakPolarHBondContact O-CA 3.48Å; P97-F99 VanDerWaalsContact C-N 3.3Å
98T92.5Very high95.5Very high109 Ų10942.1 Ų42.167%0.66922%0.215SC*.THydrogen-bonded Turntrans-77-20.9175.567.30000112.3N96 T100N96-T98 PolarHBondContact ND2-OG1 2.95Å; N96-T98 PolarHBondContact O-N 3.4Å; N96-T98 VanDerWaalsContact O-N 3.1Å; N96-T98 PolarHBondContact OD1-N 3.2Å; N96-T98 VanDerWaalsContact OD1-N 3.14Å; N96-T98 PolarHBondContact OD1-OG1 3.4Å; T98-T100 PolarHBondContact O-N 3.3Å
99F94Very high95.4Very high1 Ų140.9 Ų40.90%0.00422%0.216CC..  trans-69.7121.6177.1178.9-101.9000110.1E64 L65 L89 R92 Q93 N96 P97 Y101E64-F99 HydrophobicContact CB-CD2 4.34Å; E64-F99 HydrophobicContact CG-CD2 4.41Å; E64-F99 WeakPolarHBondContact OE2-CA 3.29Å; E64-F99 WeakPolarHBondContact OE2-CD2 3.4Å; L65-F99 HydrophobicContact CB-CE2 4.08Å; L65-F99 HydrophobicContact CB-CZ 4.06Å; L65-F99 HydrophobicContact CD2-CE2 4.49Å; L65-F99 HydrophobicContact CD2-CZ 3.98Å; L89-F99 HydrophobicContact CD2-CE1 4.2Å; L89-F99 HydrophobicContact CD2-CZ 4.16Å; R92-F99 HydrophobicContact CB-CD1 4.28Å; R92-F99 HydrophobicContact CB-CE1 4.22Å; R92-F99 HydrophobicContact CG-CD1 3.86Å; R92-F99 HydrophobicContact CG-CE1 3.95Å; R92-F99 HydrophobicContact CG-CG 4.23Å; R92-F99 HydrophobicContact CG-CZ 4.39Å; Q93-F99 HydrophobicContact CB-CD1 4.23Å; Q93-F99 PolarHBondContact NE2-O 2.9Å; N96-F99 HydrophobicContact CB-CB 4.12Å; N96-F99 VanDerWaalsContact O-CB 3.24Å; N96-F99 WeakPolarHBondContact O-CB 3.31Å; N96-F99 PolarHBondContact O-N 3.4Å; P97-F99 VanDerWaalsContact C-N 3.3Å; F99-Y101 HydrophobicContact CD1-CD1 4.4Å; F99-Y101 AromaticContact CE1-CD1 3.94Å; F99-Y101 HydrophobicContact CE1-CD1 3.94Å; F99-Y101 HydrophobicContact CE1-CG 4.24Å
100T95.8Very high95.5Very high34 Ų3442 Ų4221%0.20922%0.224CC..  trans-125.3140.1177.457.90000109.9R63 E64 L65 T98R63-T100 WeakPolarHBondContact CA-OG1 3.32Å; E64-T100 WeakPolarHBondContact CA-O 3.43Å; E64-T100 VanDerWaalsContact CB-O 3.29Å; E64-T100 WeakPolarHBondContact CB-O 3.46Å; E64-T100 PolarHBondContact N-O 3.32Å; E64-T100 PolarHBondContact N-OG1 2.96Å; L65-T100 PolarHBondContact N-O 2.79Å; L65-T100 VanDerWaalsContact N-O 3.12Å; T98-T100 PolarHBondContact O-N 3.3Å
101Y96.1Very high95.4Very high3 Ų350.9 Ų50.91%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-139.5167-175.175.5-88.6000111.8L65 M86 L89 E90 Q93 F99 V103 K129L65-Y101 CarbonylContact O-C 3.49Å; L65-Y101 WeakPolarHBondContact O-CA 3.36Å; M86-Y101 HydrophobicContact CE-CE2 3.98Å; M86-Y101 WeakPolarHBondContact CE-OH 3.26Å; M86-Y101 HydrophobicContact SD-CE2 4.24Å; L89-Y101 HydrophobicContact CB-CD1 3.98Å; L89-Y101 HydrophobicContact CB-CD2 3.88Å; L89-Y101 HydrophobicContact CB-CE1 3.78Å; L89-Y101 HydrophobicContact CB-CE2 3.66Å; L89-Y101 HydrophobicContact CB-CG 4.02Å; L89-Y101 HydrophobicContact CD1-CD2 3.61Å; L89-Y101 HydrophobicContact CD1-CE2 3.73Å; L89-Y101 HydrophobicContact CD1-CG 4.31Å; L89-Y101 HydrophobicContact CD2-CD2 4.42Å; L89-Y101 HydrophobicContact CD2-CG 4.32Å; L89-Y101 HydrophobicContact CG-CD2 4.17Å; L89-Y101 HydrophobicContact CG-CE2 4.28Å; L89-Y101 HydrophobicContact CG-CG 4.45Å; E90-Y101 WeakPolarHBondContact OE1-CE1 3.18Å; E90-Y101 PolarHBondContact OE1-OH 3.34Å; Q93-Y101 HydrophobicContact CB-CE1 4.39Å; F99-Y101 HydrophobicContact CD1-CD1 4.4Å; F99-Y101 AromaticContact CE1-CD1 3.94Å; F99-Y101 HydrophobicContact CE1-CD1 3.94Å; F99-Y101 HydrophobicContact CE1-CG 4.24Å; Y101-V103 HydrophobicContact CD2-CG2 4.31Å; Y101-V103 HydrophobicContact CE2-CG2 4.23Å; Y101-K129 HydrophobicContact CE2-CB 4.48Å
102E96.5Very high95.4Very high0 Ų049.9 Ų49.90%025%0.251CS..EExtended strand (participates in β ladder)trans-143.7157.8163.262.9173177.900111R63 L65 S66 V67 K129 R131 S152 R153R63-E102 HydrophobicContact CG-CB 4.39Å; R63-E102 HydrophobicContact CG-CG 4.34Å; L65-E102 PolarHBondContact O-N 2.84Å; S66-E102 WeakPolarHBondContact CB-OE1 3.33Å; S66-E102 VanDerWaalsContact OG-CD 3.31Å; S66-E102 VanDerWaalsContact OG-CG 3.27Å; S66-E102 WeakPolarHBondContact OG-CG 3.24Å; S66-E102 PolarHBondContact OG-OE1 2.54Å; V67-E102 PolarHBondContact N-O 3.36Å; E102-K129 CarbonylContact C-O 3.5Å; E102-K129 WeakPolarHBondContact CA-O 3.46Å; E102-R131 IonicContact OE1-NH2 2.87Å; E102-R131 PolarHBondContact OE1-NH2 3.16Å; E102-R131 VanDerWaalsContact OE1-NH2 3.14Å; E102-R131 IonicContact OE2-CZ 3.93Å; E102-R131 IonicContact OE2-NE 3.94Å; E102-R131 PolarHBondContact OE2-NE 2.93Å; E102-R131 IonicContact OE2-NH2 2.83Å; E102-R131 PolarHBondContact OE2-NH2 3.41Å; E102-S152 WeakPolarHBondContact OE1-CA 3.44Å; E102-R153 HydrophobicContact CG-CG 4.48Å; E102-R153 WeakPolarHBondContact OE1-CG 3.37Å; E102-R153 PolarHBondContact OE1-N 3.17Å; E102-R153 VanDerWaalsContact OE2-CG 3.24Å; E102-R153 WeakPolarHBondContact OE2-CG 3.27Å; E102-R153 IonicContact OE2-CZ 3.07Å; E102-R153 IonicContact OE2-NE 2.74Å; E102-R153 PolarHBondContact OE2-NE 2.86Å; E102-R153 IonicContact OE2-NH2 3.28Å
103V97.4Very high95.5Very high0 Ų053.8 Ų53.80%027%0.269CS..EExtended strand (participates in β ladder)trans-119.6128.2171.3-178.20000108.2V67 I69 L82 M86 L89 Y101 V105 K129 V130 R131V67-V103 HydrophobicContact CB-CG2 4.28Å; V67-V103 CarbonylContact O-C 3.49Å; V67-V103 WeakPolarHBondContact O-CA 3.28Å; I69-V103 HydrophobicContact CD1-CG1 3.47Å; I69-V103 VanDerWaalsContact CD1-CG1 3.47Å; I69-V103 HydrophobicContact CG1-CG1 4.23Å; L82-V103 HydrophobicContact CD2-CG1 4.11Å; M86-V103 HydrophobicContact SD-CG2 3.78Å; L89-V103 HydrophobicContact CD1-CG2 3.79Å; Y101-V103 HydrophobicContact CD2-CG2 4.31Å; Y101-V103 HydrophobicContact CE2-CG2 4.23Å; V103-V105 HydrophobicContact CG1-CG2 4.43Å; V103-K129 PolarHBondContact N-O 2.87Å; V103-V130 HydrophobicContact CB-CG2 4.38Å; V103-V130 CarbonylContact O-C 3.52Å; V103-V130 WeakPolarHBondContact O-CA 3.18Å; V103-R131 PolarHBondContact O-N 3.3Å
104I96.9Very high95.5Very high0 Ų051.8 Ų51.80%026%0.259CS..EExtended strand (participates in β ladder)trans-116.7106.2176.2-52.3174.8000107.5F54 V67 I69 V106 R131 L133F54-I104 HydrophobicContact CE1-CG2 4.43Å; V67-I104 PolarHBondContact O-N 2.82Å; I69-I104 PolarHBondContact N-O 3Å; I104-V106 HydrophobicContact CG2-CG2 4.11Å; I104-R131 CarbonylContact C-O 3.58Å; I104-R131 WeakPolarHBondContact CA-O 3.47Å; I104-R131 VanDerWaalsContact CD1-NH2 3.32Å; I104-L133 HydrophobicContact CG2-CB 4.39Å
105V97.5Very high95.5Very high0 Ų046.1 Ų46.10%024%0.238CC..EExtended strand (participates in β ladder)trans-82.2121.3169.7-177.90000107.9A71 M78 L82 V103 A118 R131 V132 L133A71-V105 HydrophobicContact CB-CG1 4.23Å; M78-V105 HydrophobicContact SD-CG1 3.64Å; L82-V105 HydrophobicContact CD1-CG2 4.25Å; L82-V105 HydrophobicContact CD2-CG2 4.04Å; V103-V105 HydrophobicContact CG1-CG2 4.43Å; V105-A118 HydrophobicContact CB-CB 4.02Å; V105-A118 HydrophobicContact CG1-CB 3.8Å; V105-A118 HydrophobicContact CG2-CB 4.23Å; V105-R131 PolarHBondContact N-O 2.77Å; V105-V132 CarbonylContact O-C 3.54Å; V105-V132 WeakPolarHBondContact O-CA 3.23Å; V105-L133 PolarHBondContact O-N 3.49Å
106V96.9Very high95.5Very high0 Ų042.5 Ų42.50%022%0.221CC..EExtended strand (participates in β ladder)trans-105101.9177.4-171.50000108.4V68 I69 A71 I104 D108 L133 L135 A144 G148V68-V106 HydrophobicContact CG1-CG2 4.06Å; I69-V106 PolarHBondContact O-N 2.99Å; A71-V106 PolarHBondContact N-O 3.25Å; I104-V106 HydrophobicContact CG2-CG2 4.11Å; V106-D108 PolarHBondContact O-N 3.25Å; V106-L133 CarbonylContact C-O 3.1Å; V106-L133 WeakPolarHBondContact CA-O 3.42Å; V106-L133 HydrophobicContact CG1-CB 4.35Å; V106-L133 HydrophobicContact CG1-CD2 4.08Å; V106-L133 HydrophobicContact CG1-CG 4.16Å; V106-L133 HydrophobicContact CG2-CB 4.34Å; V106-L133 HydrophobicContact CG2-CD2 4.28Å; V106-L135 HydrophobicContact CG1-CD1 3.93Å; V106-L135 HydrophobicContact CG1-CD2 4.4Å; V106-L135 HydrophobicContact CG1-CG 3.98Å; V106-A144 HydrophobicContact CB-CB 4.34Å; V106-A144 HydrophobicContact CG1-CB 3.9Å; V106-A144 WeakPolarHBondContact CG1-O 3.35Å; V106-G148 VanDerWaalsContact CG2-CA 3.48Å
107D97.1Very high95.5Very high4 Ų440.2 Ų40.22%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-78.2110.4172.9-174.7-11.5000109.3A71 G109 S110 T115 L133 T134 L135A71-D107 WeakPolarHBondContact O-CA 3.46Å; D107-G109 PolarHBondContact O-N 3.26Å; D107-G109 PolarHBondContact OD1-N 3.15Å; D107-S110 WeakPolarHBondContact OD1-CB 3.21Å; D107-S110 PolarHBondContact OD1-N 3.37Å; D107-S110 PolarHBondContact OD1-OG 2.82Å; D107-T115 WeakPolarHBondContact OD2-CB 3.47Å; D107-T115 PolarHBondContact OD2-N 2.82Å; D107-T115 PolarHBondContact OD2-OG1 2.9Å; D107-L133 PolarHBondContact N-O 2.92Å; D107-T134 HydrophobicContact CB-CG2 4.42Å; D107-L135 WeakPolarHBondContact O-CB 3.44Å; D107-L135 PolarHBondContact O-N 2.98Å
108D95Very high95.7Very high5 Ų535 Ų353%0.02718%0.175CC..  trans-80.447.5-178.4-165.230.3000112.6A71 Y72 V106 L135 N138 R139 G140 A144A71-D108 PolarHBondContact O-N 2.9Å; Y72-D108 WeakPolarHBondContact CD2-O 3.3Å; V106-D108 PolarHBondContact O-N 3.25Å; D108-L135 WeakPolarHBondContact OD1-CD1 3.18Å; D108-N138 WeakPolarHBondContact O-CA 3.26Å; D108-N138 VanDerWaalsContact O-CB 3.25Å; D108-N138 WeakPolarHBondContact O-CB 3.29Å; D108-N138 PolarHBondContact O-ND2 2.85Å; D108-N138 WeakPolarHBondContact OD1-CA 3.44Å; D108-N138 PolarHBondContact OD2-ND2 3.18Å; D108-N138 PolarHBondContact OD2-OD1 2.92Å; D108-R139 PolarHBondContact OD1-N 3.12Å; D108-R139 PolarHBondContact OD2-N 3.26Å; D108-G140 VanDerWaalsContact OD2-C 3.29Å; D108-G140 VanDerWaalsContact OD2-CA 3.23Å; D108-G140 WeakPolarHBondContact OD2-CA 3.48Å; D108-G140 PolarHBondContact OD2-N 2.59Å; D108-A144 HydrophobicContact CB-CB 3.95Å
109G94Very high95.8Very high21 Ų2132 Ų3222%0.21616%0.155CC..SBendtrans68.644.6179.100000113.3D107D107-G109 PolarHBondContact O-N 3.26Å; D107-G109 PolarHBondContact OD1-N 3.15Å
110S95.6Very high95.8Very high22 Ų2238.9 Ų38.915%0.15418%0.181CC..  trans-58.5154.7175.9-56.60000112.2Y72 N73 D107 D112Y72-S110 WeakPolarHBondContact CA-OG 3.42Å; N73-S110 PolarHBondContact N-OG 2.94Å; N73-S110 WeakPolarHBondContact OD1-CA 3.45Å; N73-S110 WeakPolarHBondContact OD1-CB 3.46Å; D107-S110 WeakPolarHBondContact OD1-CB 3.21Å; D107-S110 PolarHBondContact OD1-N 3.37Å; D107-S110 PolarHBondContact OD1-OG 2.82Å; S110-D112 VanDerWaalsContact CB-OD1 3.31Å; S110-D112 WeakPolarHBondContact CB-OD1 3.5Å
111R95.3Very high95.8Very high225 Ų22538.1 Ų38.185%0.84917%0.174SC*.SBendtrans-105.6-5.8177-61.5-177.8-177.8-179.8-0.2113N73N73-R111 PolarHBondContact OD1-N 2.83Å
112D95.9Very high95.7Very high47 Ų4738 Ų3825%0.25117%0.174SC..SBendtrans-99.6-162.2178.374-9.8000110.9N73 E74 E75 S110 T114N73-D112 WeakPolarHBondContact CA-OD2 3.35Å; E74-D112 PolarHBondContact N-OD2 3.4Å; E75-D112 WeakPolarHBondContact CB-OD2 3.41Å; E75-D112 HydrophobicContact CG-CB 4.32Å; E75-D112 WeakPolarHBondContact CG-OD2 3.46Å; E75-D112 PolarHBondContact N-OD2 2.85Å; S110-D112 VanDerWaalsContact CB-OD1 3.31Å; S110-D112 WeakPolarHBondContact CB-OD1 3.5Å; D112-T114 VanDerWaalsContact C-N 3.28Å; D112-T114 PolarHBondContact O-N 3.38Å; D112-T114 WeakPolarHBondContact OD1-CB 3.31Å; D112-T114 PolarHBondContact OD1-N 2.95Å; D112-T114 PolarHBondContact OD1-OG1 2.86Å; D112-T114 PolarHBondContact OD2-OG1 3.2Å; D112-T114 VanDerWaalsContact OD2-OG1 3.11Å
113K96.2Very high95.6Very high124 Ų12442.8 Ų42.854%0.53920%0.2SC..SBendtrans-88.419.6-179.8-55.7-179.7-179.8179.60113.7E75 T115 E116 V117E75-K113 HydrophobicContact CB-CB 4.49Å; E75-K113 WeakPolarHBondContact OE2-CA 3.3Å; E75-K113 WeakPolarHBondContact OE2-CB 3.41Å; E75-K113 WeakPolarHBondContact OE2-CG 3.45Å; E75-K113 PolarHBondContact OE2-N 2.84Å; K113-T115 PolarHBondContact O-N 3.43Å; K113-E116 HydrophobicContact CB-CB 4.24Å; K113-E116 WeakPolarHBondContact O-CB 3.31Å; K113-E116 PolarHBondContact O-N 2.75Å; K113-V117 WeakPolarHBondContact O-CG2 3.35Å; K113-V117 PolarHBondContact O-N 3.07Å
114T95.7Very high95.5Very high0 Ų049.3 Ų49.30%023%0.228CC..Hα-helixtrans-50.9-50.7-178.6-660000112.6A71 E74 E75 M78 D112 E116 V117 A118A71-T114 HydrophobicContact CB-CG2 3.75Å; E74-T114 PolarHBondContact N-OG1 3.36Å; E75-T114 PolarHBondContact N-OG1 3.25Å; M78-T114 HydrophobicContact CE-CG2 4.11Å; M78-T114 WeakPolarHBondContact CE-O 3.41Å; M78-T114 HydrophobicContact SD-CG2 4.28Å; D112-T114 VanDerWaalsContact C-N 3.28Å; D112-T114 PolarHBondContact O-N 3.38Å; D112-T114 WeakPolarHBondContact OD1-CB 3.31Å; D112-T114 PolarHBondContact OD1-N 2.95Å; D112-T114 PolarHBondContact OD1-OG1 2.86Å; D112-T114 PolarHBondContact OD2-OG1 3.2Å; D112-T114 VanDerWaalsContact OD2-OG1 3.11Å; T114-E116 PolarHBondContact O-N 2.85Å; T114-V117 PolarHBondContact O-N 3.17Å; T114-A118 PolarHBondContact O-N 3.09Å
115T95Very high95.4Very high35 Ų3551.7 Ų51.722%0.21524%0.237CC..Hα-helixtrans-57.6-45175.6-77.30000112.1D107 K113 V117 A118 L119 V132 T134D107-T115 WeakPolarHBondContact OD2-CB 3.47Å; D107-T115 PolarHBondContact OD2-N 2.82Å; D107-T115 PolarHBondContact OD2-OG1 2.9Å; K113-T115 PolarHBondContact O-N 3.43Å; T115-V117 PolarHBondContact O-N 3.09Å; T115-A118 PolarHBondContact O-N 3.06Å; T115-L119 HydrophobicContact CG2-CD1 3.79Å; T115-L119 HydrophobicContact CG2-CG 4.29Å; T115-L119 VanDerWaalsContact O-CG 3.29Å; T115-L119 WeakPolarHBondContact O-CG 3.07Å; T115-L119 PolarHBondContact O-N 2.91Å; T115-V132 HydrophobicContact CG2-CG1 4.43Å; T115-T134 PolarHBondContact OG1-OG1 3Å
116E95.1Very high95.2Very high89 Ų8954.2 Ų54.242%0.41626%0.255SS..Hα-helixtrans-62.9-44.7-178.9-168.5-161.5136.500111.1K113 T114 A118 L119 R120K113-E116 HydrophobicContact CB-CB 4.24Å; K113-E116 WeakPolarHBondContact O-CB 3.31Å; K113-E116 PolarHBondContact O-N 2.75Å; T114-E116 PolarHBondContact O-N 2.85Å; E116-A118 PolarHBondContact O-N 2.98Å; E116-L119 PolarHBondContact O-N 3.33Å; E116-R120 WeakPolarHBondContact O-CG 3.46Å; E116-R120 PolarHBondContact O-N 3.2Å; E116-R120 IonicContact OE1-CZ 3.42Å; E116-R120 IonicContact OE1-NE 2.59Å; E116-R120 IonicContact OE1-NH2 3.5Å; E116-R120 PolarHBondContact OE1-NH2 3.16Å
117V95.8Very high95Very high17 Ų1754.9 Ų54.910%0.10326%0.26CS..Hα-helixtrans-59.6-47.5176.7172.80000110.4E75 M78 P79 K113 T114 T115 L119 R120 Y121E75-V117 HydrophobicContact CB-CG2 4.19Å; M78-V117 HydrophobicContact CE-CB 3.88Å; M78-V117 HydrophobicContact CE-CG1 3.58Å; P79-V117 HydrophobicContact CG-CG1 3.64Å; K113-V117 WeakPolarHBondContact O-CG2 3.35Å; K113-V117 PolarHBondContact O-N 3.07Å; T114-V117 PolarHBondContact O-N 3.17Å; T115-V117 PolarHBondContact O-N 3.09Å; V117-L119 VanDerWaalsContact C-N 3.33Å; V117-L119 PolarHBondContact O-N 3.28Å; V117-R120 WeakPolarHBondContact O-CB 3.43Å; V117-R120 PolarHBondContact O-N 3.34Å; V117-Y121 HydrophobicContact CG1-CE2 4.47Å; V117-Y121 WeakPolarHBondContact O-CD2 3.4Å
118A95.2Very high94.7Very high0 Ų057.7 Ų57.70%028%0.275CS..Hα-helixtrans-61.6-40.117800000112.4M78 V105 T114 T115 E116 R120 Y121 T122 V132M78-A118 HydrophobicContact CE-CB 3.92Å; M78-A118 HydrophobicContact SD-CB 4.43Å; V105-A118 HydrophobicContact CB-CB 4.02Å; V105-A118 HydrophobicContact CG1-CB 3.8Å; V105-A118 HydrophobicContact CG2-CB 4.23Å; T114-A118 PolarHBondContact O-N 3.09Å; T115-A118 PolarHBondContact O-N 3.06Å; E116-A118 PolarHBondContact O-N 2.98Å; A118-R120 PolarHBondContact O-N 2.89Å; A118-Y121 WeakPolarHBondContact O-CB 3.34Å; A118-Y121 PolarHBondContact O-N 3.36Å; A118-T122 PolarHBondContact O-N 3.02Å; A118-V132 HydrophobicContact CB-CG1 4.15Å; A118-V132 HydrophobicContact CB-CG2 3.59Å
119L94.7Very high94.8Very high45 Ų4559.3 Ų59.324%0.23628%0.282CS..Hα-helixtrans-64-27.3178-74.2170.9000113T115 E116 V117 Y121 T122 N123 V132T115-L119 HydrophobicContact CG2-CD1 3.79Å; T115-L119 HydrophobicContact CG2-CG 4.29Å; T115-L119 VanDerWaalsContact O-CG 3.29Å; T115-L119 WeakPolarHBondContact O-CG 3.07Å; T115-L119 PolarHBondContact O-N 2.91Å; E116-L119 PolarHBondContact O-N 3.33Å; V117-L119 VanDerWaalsContact C-N 3.33Å; V117-L119 PolarHBondContact O-N 3.28Å; L119-Y121 PolarHBondContact O-N 3.13Å; L119-T122 WeakPolarHBondContact O-CB 3.25Å; L119-T122 PolarHBondContact O-N 3.08Å; L119-N123 PolarHBondContact O-N 3.11Å; L119-N123 PolarHBondContact O-ND2 3.28Å; L119-V132 HydrophobicContact CD2-CB 4.15Å; L119-V132 HydrophobicContact CD2-CG2 3.88Å; L119-V132 HydrophobicContact CG-CG2 4.15Å
120R95Very high94.9Very high145 Ų14558.3 Ų58.355%0.54727%0.272SS..Hα-helixtrans-60.8-35.9172.4-64.2172.1-174.4-163.60.3111.7E116 V117 A118 N123 K124E116-R120 WeakPolarHBondContact O-CG 3.46Å; E116-R120 PolarHBondContact O-N 3.2Å; E116-R120 IonicContact OE1-CZ 3.42Å; E116-R120 IonicContact OE1-NE 2.59Å; E116-R120 IonicContact OE1-NH2 3.5Å; E116-R120 PolarHBondContact OE1-NH2 3.16Å; V117-R120 WeakPolarHBondContact O-CB 3.43Å; V117-R120 PolarHBondContact O-N 3.34Å; A118-R120 PolarHBondContact O-N 2.89Å; R120-N123 PolarHBondContact O-N 3.19Å; R120-K124 WeakPolarHBondContact O-CB 3.09Å; R120-K124 PolarHBondContact O-N 2.82Å
121Y95.6Very high94.9Very high19 Ų1957.4 Ų57.48%0.07527%0.265CS..Hα-helixtrans-71.4-38.7175.3-70.7-97.2000111.9P79 L82 D83 M86 V117 A118 L119 N123 K124 Y125P79-Y121 VanDerWaalsContact CA-OH 3.31Å; P79-Y121 WeakPolarHBondContact CA-OH 3.16Å; P79-Y121 PolarHBondContact O-OH 3.47Å; L82-Y121 HydrophobicContact CB-CD1 3.9Å; L82-Y121 HydrophobicContact CB-CD2 4.46Å; L82-Y121 HydrophobicContact CB-CE1 3.51Å; L82-Y121 HydrophobicContact CB-CE2 4.12Å; L82-Y121 HydrophobicContact CB-CG 4.38Å; L82-Y121 HydrophobicContact CD1-CD1 4.26Å; L82-Y121 HydrophobicContact CD1-CD2 3.56Å; L82-Y121 HydrophobicContact CD1-CE1 4.38Å; L82-Y121 HydrophobicContact CD1-CE2 3.71Å; L82-Y121 HydrophobicContact CD1-CG 3.88Å; D83-Y121 VanDerWaalsContact CG-OH 3.29Å; D83-Y121 WeakPolarHBondContact OD1-CE1 3.42Å; D83-Y121 PolarHBondContact OD1-OH 3.49Å; M86-Y121 HydrophobicContact CG-CD1 4.35Å; V117-Y121 HydrophobicContact CG1-CE2 4.47Å; V117-Y121 WeakPolarHBondContact O-CD2 3.4Å; A118-Y121 WeakPolarHBondContact O-CB 3.34Å; A118-Y121 PolarHBondContact O-N 3.36Å; L119-Y121 PolarHBondContact O-N 3.13Å; Y121-N123 VanDerWaalsContact C-N 3.29Å; Y121-N123 PolarHBondContact O-N 3.15Å; Y121-K124 PolarHBondContact O-N 3.27Å; Y121-Y125 HydrophobicContact CD1-CD2 4.3Å; Y121-Y125 AromaticContact CD1-CE2 3.95Å; Y121-Y125 HydrophobicContact CD1-CE2 3.95Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.37Å; Y121-Y125 PolarHBondContact O-N 2.95Å
122T94.7Very high95Very high1 Ų147.1 Ų47.11%0.00623%0.227CC..Hα-helixtrans-57.2-42.4169.9-65.10000111.8A118 L119 S126 A127 V130A118-T122 PolarHBondContact O-N 3.02Å; L119-T122 WeakPolarHBondContact O-CB 3.25Å; L119-T122 PolarHBondContact O-N 3.08Å; T122-S126 CarbonylContact O-C 3.55Å; T122-S126 WeakPolarHBondContact O-CA 3.15Å; T122-S126 PolarHBondContact O-N 3.47Å; T122-A127 HydrophobicContact CG2-CB 3.87Å; T122-V130 WeakPolarHBondContact CB-O 3.47Å; T122-V130 WeakPolarHBondContact CG2-O 3.08Å; T122-V130 PolarHBondContact OG1-O 3.29Å
123N93.6Very high95Very high100 Ų10045 Ų4554%0.53522%0.216SC..Hα-helixtrans-69.8-38177.4-68-23.1000112.4L119 R120 Y121L119-N123 PolarHBondContact O-N 3.11Å; L119-N123 PolarHBondContact O-ND2 3.28Å; R120-N123 PolarHBondContact O-N 3.19Å; Y121-N123 VanDerWaalsContact C-N 3.29Å; Y121-N123 PolarHBondContact O-N 3.15Å
124K94.9Very high95Very high136 Ų13642.1 Ų42.159%0.59121%0.209SC*.Hα-helixtrans-71.3-39.8-179.3-176.8177173.5-168.20113.4R120 Y121R120-K124 WeakPolarHBondContact O-CB 3.09Å; R120-K124 PolarHBondContact O-N 2.82Å; Y121-K124 PolarHBondContact O-N 3.27Å
125Y93.9Very high94.9Very high50 Ų5042.3 Ų42.320%0.19621%0.21CC..Hα-helixtrans-112.41.8-172.8-64.7-83.5000114.4M86 E90 Y121 V130M86-Y125 HydrophobicContact CB-CE1 4.13Å; M86-Y125 HydrophobicContact CB-CE2 3.96Å; M86-Y125 HydrophobicContact CE-CD1 3.55Å; M86-Y125 HydrophobicContact CE-CD2 3.73Å; M86-Y125 HydrophobicContact CE-CE1 4Å; M86-Y125 HydrophobicContact CE-CE2 4.17Å; M86-Y125 HydrophobicContact CE-CG 3.41Å; M86-Y125 VanDerWaalsContact CE-CG 3.41Å; M86-Y125 HydrophobicContact CG-CD2 4.16Å; M86-Y125 HydrophobicContact CG-CE2 3.83Å; E90-Y125 HydrophobicContact CG-CE1 4.17Å; Y121-Y125 HydrophobicContact CD1-CD2 4.3Å; Y121-Y125 AromaticContact CD1-CE2 3.95Å; Y121-Y125 HydrophobicContact CD1-CE2 3.95Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.37Å; Y121-Y125 PolarHBondContact O-N 2.95Å; Y125-V130 HydrophobicContact CD2-CG2 4.45Å
126S93.5Very high94.8Very high53 Ų5344.5 Ų44.537%0.37122%0.223SC..  trans74.5155.1-169.691.10000115.1T122 D128 K129 V130T122-S126 CarbonylContact O-C 3.55Å; T122-S126 WeakPolarHBondContact O-CA 3.15Å; T122-S126 PolarHBondContact O-N 3.47Å; S126-D128 PolarHBondContact O-N 2.56Å; S126-D128 VanDerWaalsContact O-N 3.15Å; S126-D128 WeakPolarHBondContact OG-CB 3.1Å; S126-D128 PolarHBondContact OG-N 2.92Å; S126-K129 PolarHBondContact O-N 3.05Å; S126-V130 PolarHBondContact O-N 3.01Å
127A92.4Very high94.6Very high14 Ų1446.1 Ų46.112%0.11623%0.229CC..THydrogen-bonded Turntrans-67.5-7.1174.400000114.2F44 T46 T122 R131F44-A127 HydrophobicContact CE2-CB 4.33Å; T46-A127 HydrophobicContact CG2-CB 4.15Å; T122-A127 HydrophobicContact CG2-CB 3.87Å; A127-R131 WeakPolarHBondContact O-CG 3.34Å
128D92.6Very high94.4Very high64 Ų6448.7 Ų48.734%0.34224%0.242SC..THydrogen-bonded Turntrans-78.7-38.1168.8-171.952.4000111R63 S126 R153R63-D128 IonicContact CZ-OD1 2.95Å; R63-D128 IonicContact CZ-OD2 3.49Å; R63-D128 IonicContact NE-OD1 3.29Å; R63-D128 IonicContact NH2-OD1 2.74Å; R63-D128 PolarHBondContact NH2-OD1 3.11Å; R63-D128 IonicContact NH2-OD2 2.74Å; R63-D128 PolarHBondContact NH2-OD2 3.3Å; S126-D128 PolarHBondContact O-N 2.56Å; S126-D128 VanDerWaalsContact O-N 3.15Å; S126-D128 WeakPolarHBondContact OG-CB 3.1Å; S126-D128 PolarHBondContact OG-N 2.92Å; D128-R153 PolarHBondContact O-NH2 3.04Å; D128-R153 IonicContact OD1-CZ 3.66Å; D128-R153 VanDerWaalsContact OD1-CZ 3.28Å; D128-R153 IonicContact OD1-NH1 3.75Å; D128-R153 PolarHBondContact OD1-NH1 3Å; D128-R153 IonicContact OD1-NH2 2.62Å; D128-R153 PolarHBondContact OD1-NH2 2.89Å
129K95.4Very high94Very high38 Ų3850.5 Ų50.517%0.16525%0.248CC..THydrogen-bonded Turntrans-90.1-38.6-179.3-67.3-176.1172.5-173.10112.9M86 E90 Y101 E102 V103 S126M86-K129 HydrophobicContact CE-CB 4.38Å; E90-K129 VanDerWaalsContact CD-NZ 3.3Å; E90-K129 WeakPolarHBondContact OE1-CE 3.36Å; E90-K129 IonicContact OE1-NZ 2.71Å; E90-K129 PolarHBondContact OE1-NZ 3.21Å; E90-K129 IonicContact OE2-NZ 3.7Å; E90-K129 PolarHBondContact OE2-NZ 3.33Å; E90-K129 VanDerWaalsContact OE2-NZ 3.14Å; Y101-K129 HydrophobicContact CE2-CB 4.48Å; E102-K129 CarbonylContact C-O 3.5Å; E102-K129 WeakPolarHBondContact CA-O 3.46Å; V103-K129 PolarHBondContact N-O 2.87Å; S126-K129 PolarHBondContact O-N 3.05Å
130V96.9Very high93.6Very high0 Ų049.7 Ų49.70%025%0.251CS..EExtended strand (participates in β ladder)trans-127.6122.9-176-175.10000110.6M86 V103 T122 Y125 S126M86-V130 HydrophobicContact CE-CG2 3.56Å; M86-V130 HydrophobicContact SD-CG2 3.67Å; V103-V130 HydrophobicContact CB-CG2 4.38Å; V103-V130 CarbonylContact O-C 3.52Å; V103-V130 WeakPolarHBondContact O-CA 3.18Å; T122-V130 WeakPolarHBondContact CB-O 3.47Å; T122-V130 WeakPolarHBondContact CG2-O 3.08Å; T122-V130 PolarHBondContact OG1-O 3.29Å; Y125-V130 HydrophobicContact CD2-CG2 4.45Å; S126-V130 PolarHBondContact O-N 3.01Å
131R96.4Very high93.1Very high4 Ų446 Ų462%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-122.9146.9-179.6-59.5-171.8-67.71504.7110.3F44 F54 P55 E102 V103 I104 V105 A127 S151F44-R131 HydrophobicContact CD2-CB 4.38Å; F44-R131 HydrophobicContact CD2-CG 4.02Å; F44-R131 HydrophobicContact CE2-CG 4.07Å; F54-R131 HydrophobicContact CE1-CB 4.36Å; P55-R131 VanDerWaalsContact CD-NH1 3.3Å; E102-R131 IonicContact OE1-NH2 2.87Å; E102-R131 PolarHBondContact OE1-NH2 3.16Å; E102-R131 VanDerWaalsContact OE1-NH2 3.14Å; E102-R131 IonicContact OE2-CZ 3.93Å; E102-R131 IonicContact OE2-NE 3.94Å; E102-R131 PolarHBondContact OE2-NE 2.93Å; E102-R131 IonicContact OE2-NH2 2.83Å; E102-R131 PolarHBondContact OE2-NH2 3.41Å; V103-R131 PolarHBondContact O-N 3.3Å; I104-R131 CarbonylContact C-O 3.58Å; I104-R131 WeakPolarHBondContact CA-O 3.47Å; I104-R131 VanDerWaalsContact CD1-NH2 3.32Å; V105-R131 PolarHBondContact N-O 2.77Å; A127-R131 WeakPolarHBondContact O-CG 3.34Å; R131-S151 PolarHBondContact NH2-O 3.24Å
132V96.7Very high92.5Very high9 Ų947.5 Ų47.56%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-116.3125.5177.9-172.40000109.2V105 T115 A118 L119V105-V132 CarbonylContact O-C 3.54Å; V105-V132 WeakPolarHBondContact O-CA 3.23Å; T115-V132 HydrophobicContact CG2-CG1 4.43Å; A118-V132 HydrophobicContact CB-CG1 4.15Å; A118-V132 HydrophobicContact CB-CG2 3.59Å; L119-V132 HydrophobicContact CD2-CB 4.15Å; L119-V132 HydrophobicContact CD2-CG2 3.88Å; L119-V132 HydrophobicContact CG-CG2 4.15Å
133L96.1Very high92.1Very high1 Ų147.8 Ų47.81%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-108.8106.5171.8174.258.1000108.7E41 F54 I104 V105 V106 D107 L135 M147E41-L133 HydrophobicContact CB-CD1 4.23Å; E41-L133 WeakPolarHBondContact O-CD1 3.34Å; F54-L133 HydrophobicContact CD2-CD1 4.22Å; F54-L133 HydrophobicContact CE2-CB 4.05Å; F54-L133 HydrophobicContact CE2-CD1 3.54Å; F54-L133 HydrophobicContact CE2-CG 4.28Å; F54-L133 HydrophobicContact CZ-CB 3.67Å; F54-L133 HydrophobicContact CZ-CD1 4.08Å; F54-L133 HydrophobicContact CZ-CG 4.35Å; I104-L133 HydrophobicContact CG2-CB 4.39Å; V105-L133 PolarHBondContact O-N 3.49Å; V106-L133 CarbonylContact C-O 3.1Å; V106-L133 WeakPolarHBondContact CA-O 3.42Å; V106-L133 HydrophobicContact CG1-CB 4.35Å; V106-L133 HydrophobicContact CG1-CD2 4.08Å; V106-L133 HydrophobicContact CG1-CG 4.16Å; V106-L133 HydrophobicContact CG2-CB 4.34Å; V106-L133 HydrophobicContact CG2-CD2 4.28Å; D107-L133 PolarHBondContact N-O 2.92Å; L133-L135 HydrophobicContact CD1-CD2 4.3Å; L133-L135 HydrophobicContact CD2-CD2 4.24Å; L133-L135 HydrophobicContact CG-CD2 4.01Å; L133-M147 HydrophobicContact CD2-CB 3.85Å
134T95.6Very high91.8Very high64 Ų6443 Ų4339%0.39324%0.238SC..EExtended strand (participates in β ladder)trans-94.2117.9177-490000110.1D107 T115D107-T134 HydrophobicContact CB-CG2 4.42Å; T115-T134 PolarHBondContact OG1-OG1 3Å
135L94.1Very high91.5Very high4 Ų437.1 Ų37.12%0.02121%0.213CC..  trans-82143.2177-57.9-174.2000110.9E41 V106 D107 D108 L133 K137 A144 M147E41-L135 HydrophobicContact CG-CD2 4.06Å; V106-L135 HydrophobicContact CG1-CD1 3.93Å; V106-L135 HydrophobicContact CG1-CD2 4.4Å; V106-L135 HydrophobicContact CG1-CG 3.98Å; D107-L135 WeakPolarHBondContact O-CB 3.44Å; D107-L135 PolarHBondContact O-N 2.98Å; D108-L135 WeakPolarHBondContact OD1-CD1 3.18Å; L133-L135 HydrophobicContact CD1-CD2 4.3Å; L133-L135 HydrophobicContact CD2-CD2 4.24Å; L133-L135 HydrophobicContact CG-CD2 4.01Å; L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 3.4Å; L135-A144 HydrophobicContact CD1-CB 4.35Å; L135-M147 HydrophobicContact CD1-CB 4.3Å; L135-M147 HydrophobicContact CD1-CG 4.16Å; L135-M147 HydrophobicContact CD2-CB 3.96Å; L135-M147 HydrophobicContact CD2-CE 4.21Å; L135-M147 HydrophobicContact CD2-CG 3.88Å
136V92.4Very high91.1Very high81 Ų8138.8 Ų38.849%0.49122%0.219SC..SBendtrans-69.8-29.1-176.1175.10000112.1H38 K40 E41H38-V136 HydrophobicContact CB-CG2 3.83Å; K40-V136 HydrophobicContact CB-CG2 4.37Å; E41-V136 HydrophobicContact CG-CG2 4.13Å; E41-V136 PolarHBondContact OE1-N 3.17Å
137K90.5Very high90.9Very high124 Ų12436.4 Ų36.454%0.53920%0.202SC..SBendtrans-142.4152.9177.266.2179.7-177.4179.30109L135 R139L135-K137 VanDerWaalsContact C-N 3.27Å; L135-K137 PolarHBondContact O-N 3.4Å; K137-R139 HydrophobicContact CG-CG 4.33Å; K137-R139 WeakPolarHBondContact O-CG 2.98Å; K137-R139 PolarHBondContact O-N 3.32Å
138N92.8Very high90.9Very high71 Ų7135.7 Ų35.738%0.3820%0.197SC..  trans-61.9127.9170.8-174.5-57.5000110.6Y72 D108 G140Y72-N138 WeakPolarHBondContact CD2-ND2 3.4Å; Y72-N138 HydrophobicContact CE2-CB 4.29Å; Y72-N138 WeakPolarHBondContact CE2-ND2 3.28Å; D108-N138 WeakPolarHBondContact O-CA 3.26Å; D108-N138 VanDerWaalsContact O-CB 3.25Å; D108-N138 WeakPolarHBondContact O-CB 3.29Å; D108-N138 PolarHBondContact O-ND2 2.85Å; D108-N138 WeakPolarHBondContact OD1-CA 3.44Å; D108-N138 PolarHBondContact OD2-ND2 3.18Å; D108-N138 PolarHBondContact OD2-OD1 2.92Å; N138-G140 PolarHBondContact OD1-N 3.2Å
139R85.5Confident90.7Very high37 Ų3733.5 Ų33.514%0.1419%0.185CC..  trans-119.16.7179.5-58.3-179.1-171.9-160-5.8112T36 E41 D108 K137T36-R139 PolarHBondContact O-NH1 2.95Å; T36-R139 VanDerWaalsContact O-NH1 3.12Å; T36-R139 PolarHBondContact O-NH2 2.78Å; E41-R139 IonicContact OE1-CZ 2.78Å; E41-R139 IonicContact OE1-NE 3.15Å; E41-R139 IonicContact OE1-NH2 3.6Å; E41-R139 PolarHBondContact OE1-NH2 3.12Å; E41-R139 IonicContact OE2-CZ 2.87Å; E41-R139 IonicContact OE2-NH1 3.08Å; E41-R139 IonicContact OE2-NH2 2.65Å; E41-R139 PolarHBondContact OE2-NH2 3.37Å; D108-R139 PolarHBondContact OD1-N 3.12Å; D108-R139 PolarHBondContact OD2-N 3.26Å; K137-R139 HydrophobicContact CG-CG 4.33Å; K137-R139 WeakPolarHBondContact O-CG 2.98Å; K137-R139 PolarHBondContact O-N 3.32Å
140G86.4Confident90.4Very high28 Ų2834.7 Ų34.729%0.28919%0.193SC..Hα-helixtrans72.2166.1-171.700000112.8D108 N138 G142 G143 A144D108-G140 VanDerWaalsContact OD2-C 3.29Å; D108-G140 VanDerWaalsContact OD2-CA 3.23Å; D108-G140 WeakPolarHBondContact OD2-CA 3.48Å; D108-G140 PolarHBondContact OD2-N 2.59Å; N138-G140 PolarHBondContact OD1-N 3.2Å; G140-G142 VanDerWaalsContact C-N 3.31Å; G140-G142 PolarHBondContact O-N 2.78Å; G140-G143 WeakPolarHBondContact O-CA 3.4Å; G140-G143 PolarHBondContact O-N 3.06Å; G140-A144 PolarHBondContact O-N 3.23Å
141K84.9Confident90.2Very high68 Ų6834.7 Ų34.730%0.29619%0.193SC..Hα-helixtrans-48.6-48.2-178.5-175.4176.1-178.9177.30113.1P70 G143 A144 V145 D161 Y194P70-K141 HydrophobicContact CB-CG 4.37Å; P70-K141 HydrophobicContact CG-CG 4.11Å; K141-G143 VanDerWaalsContact C-N 3.31Å; K141-G143 PolarHBondContact O-N 3.29Å; K141-A144 PolarHBondContact O-N 2.92Å; K141-V145 HydrophobicContact CG-CG2 4.35Å; K141-V145 WeakPolarHBondContact O-CG2 3Å; K141-V145 PolarHBondContact O-N 3.13Å; K141-D161 WeakPolarHBondContact CE-OD1 3.37Å; K141-D161 VanDerWaalsContact NZ-CG 3.27Å; K141-D161 IonicContact NZ-OD1 3.24Å; K141-D161 PolarHBondContact NZ-OD1 3.42Å; K141-D161 IonicContact NZ-OD2 3.87Å; K141-D161 PolarHBondContact NZ-OD2 3.06Å; K141-Y194 HydrophobicContact CD-CE2 4.13Å
142G83.6Confident89.9Confident50 Ų5034.6 Ų34.652%0.51519%0.193SC..Hα-helixtrans-62.8-35.6179.400000113.4G140 R146G140-G142 VanDerWaalsContact C-N 3.31Å; G140-G142 PolarHBondContact O-N 2.78Å; G142-R146 VanDerWaalsContact O-CB 3.27Å; G142-R146 WeakPolarHBondContact O-CB 3.48Å; G142-R146 PolarHBondContact O-N 3.41Å
143G85.6Confident89.7Confident7 Ų736 Ų367%0.07220%0.198CC..Hα-helixtrans-67.1-45.9173.700000112.1G140 K141 R146 M147G140-G143 WeakPolarHBondContact O-CA 3.4Å; G140-G143 PolarHBondContact O-N 3.06Å; K141-G143 VanDerWaalsContact C-N 3.31Å; K141-G143 PolarHBondContact O-N 3.29Å; G143-R146 PolarHBondContact O-N 3.23Å; G143-M147 WeakPolarHBondContact O-CB 3.26Å; G143-M147 VanDerWaalsContact O-CG 3.3Å; G143-M147 WeakPolarHBondContact O-CG 3.41Å; G143-M147 PolarHBondContact O-N 3.43Å
144A88.4Confident89.3Confident0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-61.1-48.8177.400000112.2P70 V106 D108 L135 G140 K141 R146 M147 G148P70-A144 HydrophobicContact CB-CB 3.77Å; V106-A144 HydrophobicContact CB-CB 4.34Å; V106-A144 HydrophobicContact CG1-CB 3.9Å; V106-A144 WeakPolarHBondContact CG1-O 3.35Å; D108-A144 HydrophobicContact CB-CB 3.95Å; L135-A144 HydrophobicContact CD1-CB 4.35Å; G140-A144 PolarHBondContact O-N 3.23Å; K141-A144 PolarHBondContact O-N 2.92Å; A144-R146 PolarHBondContact O-N 3.23Å; A144-M147 PolarHBondContact O-N 3.11Å; A144-G148 PolarHBondContact O-N 3.01Å
145V87.9Confident88.9Confident13 Ų1338.3 Ų38.38%0.07920%0.202CC..Hα-helixtrans-55.2-53.6174.9170.30000109.9P70 K141 M147 G148 T149 M159 F192P70-V145 HydrophobicContact CB-CG2 4.03Å; P70-V145 HydrophobicContact CG-CG2 3.73Å; K141-V145 HydrophobicContact CG-CG2 4.35Å; K141-V145 WeakPolarHBondContact O-CG2 3Å; K141-V145 PolarHBondContact O-N 3.13Å; V145-M147 PolarHBondContact O-N 2.96Å; V145-G148 PolarHBondContact O-N 2.87Å; V145-G148 VanDerWaalsContact O-N 3.12Å; V145-T149 VanDerWaalsContact O-CB 3.28Å; V145-T149 WeakPolarHBondContact O-CB 3.09Å; V145-T149 PolarHBondContact O-N 2.73Å; V145-T149 PolarHBondContact O-OG1 3.06Å; V145-M159 HydrophobicContact CG1-CG 4.41Å; V145-M159 HydrophobicContact CG2-CG 3.92Å; V145-M159 HydrophobicContact CG2-SD 4.07Å; V145-F192 HydrophobicContact CB-CE2 3.97Å; V145-F192 HydrophobicContact CG1-CD2 3.92Å; V145-F192 HydrophobicContact CG1-CE2 3.36Å; V145-F192 HydrophobicContact CG1-CZ 4.38Å; V145-F192 HydrophobicContact CG2-CE2 3.61Å; V145-F192 HydrophobicContact CG2-CZ 4.05Å
146R86.4Confident88.4Confident85 Ų8540.1 Ų40.132%0.32121%0.211SC..Hα-helixtrans-56.7-41.7-178.6-177.2175.2176.9-158.80.5111.6L35 G142 G143 A144 T149 L150L35-R146 HydrophobicContact CD2-CG 4.26Å; G142-R146 VanDerWaalsContact O-CB 3.27Å; G142-R146 WeakPolarHBondContact O-CB 3.48Å; G142-R146 PolarHBondContact O-N 3.41Å; G143-R146 PolarHBondContact O-N 3.23Å; A144-R146 PolarHBondContact O-N 3.23Å; R146-T149 PolarHBondContact O-N 3.28Å; R146-L150 HydrophobicContact CG-CD1 4.1Å; R146-L150 WeakPolarHBondContact O-CB 3.47Å; R146-L150 VanDerWaalsContact O-CG 3.25Å; R146-L150 WeakPolarHBondContact O-CG 3.4Å; R146-L150 PolarHBondContact O-N 2.93Å
147M89.1Confident88.2Confident2 Ų236.6 Ų36.61%0.0119%0.19CC..Hα-helixtrans-66.2-42177.9-74.8-55.7-62.700113L35 R37 E41 L133 L135 G143 A144 V145 L150 S151L35-M147 HydrophobicContact CD2-CG 3.68Å; L35-M147 HydrophobicContact CD2-SD 3.41Å; L35-M147 WeakPolarHBondContact CD2-SD 3.25Å; R37-M147 HydrophobicContact CB-CE 4.21Å; R37-M147 HydrophobicContact CG-CE 3.69Å; E41-M147 HydrophobicContact CB-CE 4.28Å; L133-M147 HydrophobicContact CD2-CB 3.85Å; L135-M147 HydrophobicContact CD1-CB 4.3Å; L135-M147 HydrophobicContact CD1-CG 4.16Å; L135-M147 HydrophobicContact CD2-CB 3.96Å; L135-M147 HydrophobicContact CD2-CE 4.21Å; L135-M147 HydrophobicContact CD2-CG 3.88Å; G143-M147 WeakPolarHBondContact O-CB 3.26Å; G143-M147 VanDerWaalsContact O-CG 3.3Å; G143-M147 WeakPolarHBondContact O-CG 3.41Å; G143-M147 PolarHBondContact O-N 3.43Å; A144-M147 PolarHBondContact O-N 3.11Å; V145-M147 PolarHBondContact O-N 2.96Å; M147-L150 PolarHBondContact O-N 3.42Å; M147-S151 WeakPolarHBondContact O-CB 3.34Å; M147-S151 PolarHBondContact O-N 2.74Å; M147-S151 PolarHBondContact O-OG 2.93Å
148G91.9Very high88.2Confident0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-64.9-43.3175.100000112.3V106 A144 V145 L150 S151 S152V106-G148 VanDerWaalsContact CG2-CA 3.48Å; A144-G148 PolarHBondContact O-N 3.01Å; V145-G148 PolarHBondContact O-N 2.87Å; V145-G148 VanDerWaalsContact O-N 3.12Å; G148-L150 PolarHBondContact O-N 2.69Å; G148-S151 CarbonylContact O-C 3.08Å; G148-S151 WeakPolarHBondContact O-CA 3.4Å; G148-S151 WeakPolarHBondContact O-CB 3.41Å; G148-S151 PolarHBondContact O-N 2.77Å; G148-S152 PolarHBondContact O-N 3.2Å; G148-S152 VanDerWaalsContact O-N 3.1Å
149T88.3Confident88Confident17 Ų1728.2 Ų28.210%0.10415%0.15CC..Hα-helixtrans-60.7-40.8175.5-64.40000112.9V145 R146 S151 S152 I157 F190V145-T149 VanDerWaalsContact O-CB 3.28Å; V145-T149 WeakPolarHBondContact O-CB 3.09Å; V145-T149 PolarHBondContact O-N 2.73Å; V145-T149 PolarHBondContact O-OG1 3.06Å; R146-T149 PolarHBondContact O-N 3.28Å; T149-S151 PolarHBondContact O-N 2.85Å; T149-S152 PolarHBondContact O-OG 3.45Å; T149-I157 HydrophobicContact CG2-CD1 4.33Å; T149-I157 HydrophobicContact CG2-CG2 4.48Å; T149-F190 HydrophobicContact CG2-CD1 3.17Å; T149-F190 HydrophobicContact CG2-CE1 3.03Å; T149-F190 HydrophobicContact CG2-CG 4.44Å; T149-F190 HydrophobicContact CG2-CZ 4.23Å
150L88.3Confident88.2Confident63 Ų6326.7 Ų26.733%0.3315%0.146SC..THydrogen-bonded Turntrans-72.2-7175-71.3172.5000113.4R146 M147 G148R146-L150 HydrophobicContact CG-CD1 4.1Å; R146-L150 WeakPolarHBondContact O-CB 3.47Å; R146-L150 VanDerWaalsContact O-CG 3.25Å; R146-L150 WeakPolarHBondContact O-CG 3.4Å; R146-L150 PolarHBondContact O-N 2.93Å; M147-L150 PolarHBondContact O-N 3.42Å; G148-L150 PolarHBondContact O-N 2.69Å
151S92.4Very high88.3Confident0 Ų026 Ų260%014%0.136CC..THydrogen-bonded Turntrans-1150.9-175.9-56.20000112.8R37 F54 P55 R131 M147 G148 T149R37-S151 PolarHBondContact NH1-OG 2.48Å; R37-S151 PolarHBondContact NH2-OG 2.8Å; F54-S151 VanDerWaalsContact CD1-CB 3.48Å; P55-S151 WeakPolarHBondContact CD-O 3.45Å; R131-S151 PolarHBondContact NH2-O 3.24Å; M147-S151 WeakPolarHBondContact O-CB 3.34Å; M147-S151 PolarHBondContact O-N 2.74Å; M147-S151 PolarHBondContact O-OG 2.93Å; G148-S151 CarbonylContact O-C 3.08Å; G148-S151 WeakPolarHBondContact O-CA 3.4Å; G148-S151 WeakPolarHBondContact O-CB 3.41Å; G148-S151 PolarHBondContact O-N 2.77Å; T149-S151 PolarHBondContact O-N 2.85Å
152S91.1Very high88.3Confident2 Ų223 Ų231%0.01412%0.124CC..  trans-84.7151.4-178.958.40000113E102 G148 T149 I157E102-S152 WeakPolarHBondContact OE1-CA 3.44Å; G148-S152 PolarHBondContact O-N 3.2Å; G148-S152 VanDerWaalsContact O-N 3.1Å; T149-S152 PolarHBondContact O-OG 3.45Å; S152-I157 WeakPolarHBondContact OG-CD1 3.03Å
153R92.7Very high88.2Confident40 Ų4024.4 Ų24.415%0.15112%0.119CC..  trans-116.210.4177.450.6176.1-175.6164.214.9113.8P55 F61 S62 R63 E102 D128P55-R153 HydrophobicContact CB-CB 4.5Å; P55-R153 HydrophobicContact CG-CB 3.83Å; P55-R153 HydrophobicContact CG-CG 4.4Å; F61-R153 WeakPolarHBondContact CA-O 3.35Å; S62-R153 PolarHBondContact N-O 2.82Å; S62-R153 WeakPolarHBondContact OG-CD 3.2Å; R63-R153 HydrophobicContact CG-CG 3.97Å; R63-R153 PolarHBondContact N-O 2.95Å; R63-R153 VanDerWaalsContact N-O 3.14Å; R63-R153 VanDerWaalsContact NE-CZ 3.33Å; E102-R153 HydrophobicContact CG-CG 4.48Å; E102-R153 WeakPolarHBondContact OE1-CG 3.37Å; E102-R153 PolarHBondContact OE1-N 3.17Å; E102-R153 VanDerWaalsContact OE2-CG 3.24Å; E102-R153 WeakPolarHBondContact OE2-CG 3.27Å; E102-R153 IonicContact OE2-CZ 3.07Å; E102-R153 IonicContact OE2-NE 2.74Å; E102-R153 PolarHBondContact OE2-NE 2.86Å; E102-R153 IonicContact OE2-NH2 3.28Å; D128-R153 PolarHBondContact O-NH2 3.04Å; D128-R153 IonicContact OD1-CZ 3.66Å; D128-R153 VanDerWaalsContact OD1-CZ 3.28Å; D128-R153 IonicContact OD1-NH1 3.75Å; D128-R153 PolarHBondContact OD1-NH1 3Å; D128-R153 IonicContact OD1-NH2 2.62Å; D128-R153 PolarHBondContact OD1-NH2 2.89Å
154G87.5Confident87.7Confident0 Ų024.7 Ų24.70%012%0.122CC..EExtended strand (participates in β ladder)trans-82.2145.8-179.200000112.2R63 S66 L156R63-G154 CarbonylContact O-C 3.57Å; R63-G154 VanDerWaalsContact O-CA 3.32Å; R63-G154 WeakPolarHBondContact O-CA 3.21Å; S66-G154 WeakPolarHBondContact OG-CA 3.39Å; S66-G154 PolarHBondContact OG-N 3.35Å; G154-L156 VanDerWaalsContact C-N 3.32Å
155K86.3Confident87.1Confident113 Ų11327.2 Ų27.249%0.49114%0.143SC..EExtended strand (participates in β ladder)trans-64.8-40.2168.2-177.7-177.3176.2-1750111.1F61 R63 E64F61-K155 HydrophobicContact CB-CB 4.19Å; F61-K155 HydrophobicContact CD1-CB 4.25Å; F61-K155 HydrophobicContact CD1-CG 4.34Å; F61-K155 HydrophobicContact CD2-CB 3.89Å; F61-K155 HydrophobicContact CE1-CD 4.43Å; F61-K155 HydrophobicContact CE1-CG 4.44Å; F61-K155 HydrophobicContact CE2-CB 4.36Å; F61-K155 HydrophobicContact CE2-CD 4.27Å; F61-K155 HydrophobicContact CG-CB 3.84Å; F61-K155 HydrophobicContact CG-CG 4.41Å; F61-K155 HydrophobicContact CZ-CD 4.19Å; R63-K155 PolarHBondContact O-N 2.88Å; E64-K155 PolarHBondContact O-N 3.32Å
156L85.2Confident86.3Confident42 Ų4228 Ų2822%0.2215%0.148CC..EExtended strand (participates in β ladder)trans-110.3140.7172.3-60.5176.8000109.4E64 L65 S66 G154 L178E64-L156 PolarHBondContact O-N 3.02Å; L65-L156 CarbonylContact C-O 3.56Å; L65-L156 WeakPolarHBondContact CA-O 3.39Å; L65-L156 HydrophobicContact CD1-CB 3.99Å; S66-L156 PolarHBondContact N-O 2.82Å; G154-L156 VanDerWaalsContact C-N 3.32Å; L156-L178 HydrophobicContact CD2-CD2 4.05Å
157I88.4Confident85.9Confident7 Ų728.6 Ų28.64%0.03615%0.153CC..EExtended strand (participates in β ladder)trans-124.2116179.2-59.9161.9000108.7L57 S66 V68 T149 S152 F188 F190 Y191L57-I157 HydrophobicContact CD1-CD1 4.22Å; S66-I157 CarbonylContact O-C 3.46Å; S66-I157 WeakPolarHBondContact O-CA 3.42Å; V68-I157 HydrophobicContact CG2-CG2 3.91Å; T149-I157 HydrophobicContact CG2-CD1 4.33Å; T149-I157 HydrophobicContact CG2-CG2 4.48Å; S152-I157 WeakPolarHBondContact OG-CD1 3.03Å; I157-F188 HydrophobicContact CD1-CE1 4.38Å; I157-F190 HydrophobicContact CB-CD1 4.31Å; I157-F190 HydrophobicContact CD1-CD1 3.69Å; I157-F190 HydrophobicContact CD1-CE1 3.29Å; I157-F190 HydrophobicContact CD1-CZ 4.09Å; I157-Y191 WeakPolarHBondContact O-CB 3.46Å; I157-Y191 PolarHBondContact O-N 3.21Å; I157-Y191 VanDerWaalsContact O-N 3.09Å
158L89Confident85.5Confident14 Ų1428.9 Ų28.97%0.07315%0.154CC..EExtended strand (participates in β ladder)trans-104.4128.8178.2168.565.8000109.3L65 S66 V67 V68 F168 L171 Y191L65-L158 HydrophobicContact CD1-CB 3.97Å; S66-L158 PolarHBondContact O-N 2.85Å; V67-L158 CarbonylContact C-O 3.56Å; V67-L158 WeakPolarHBondContact CA-O 3.47Å; V67-L158 HydrophobicContact CG1-CD2 4.24Å; V67-L158 HydrophobicContact CG1-CG 4.42Å; V67-L158 HydrophobicContact CG2-CD2 4.07Å; V68-L158 PolarHBondContact N-O 3.41Å; L158-F168 HydrophobicContact CD2-CE1 4.3Å; L158-L171 HydrophobicContact CD1-CD1 4.49Å; L158-L171 HydrophobicContact CD2-CD1 3.76Å; L158-L171 HydrophobicContact CD2-CD2 4.42Å; L158-Y191 HydrophobicContact CD1-CD1 3.33Å; L158-Y191 HydrophobicContact CD1-CE1 3.31Å
159M89.9Confident84.9Confident4 Ų432.2 Ų32.22%0.0218%0.178CC..EExtended strand (participates in β ladder)trans-88.8132.8162.5-170.1-130.17600110.4V68 V145 D161 Y191 F192 S193V68-M159 WeakPolarHBondContact O-CA 3.45Å; V145-M159 HydrophobicContact CG1-CG 4.41Å; V145-M159 HydrophobicContact CG2-CG 3.92Å; V145-M159 HydrophobicContact CG2-SD 4.07Å; M159-D161 HydrophobicContact CE-CB 4.5Å; M159-D161 VanDerWaalsContact CE-OD1 3.26Å; M159-D161 WeakPolarHBondContact CE-OD1 3.48Å; M159-Y191 PolarHBondContact N-O 2.96Å; M159-F192 HydrophobicContact CB-CD2 3.69Å; M159-F192 HydrophobicContact CB-CE2 3.9Å; M159-F192 HydrophobicContact CG-CD2 3.95Å; M159-F192 HydrophobicContact CG-CE2 3.6Å; M159-F192 HydrophobicContact CG-CZ 4.46Å; M159-F192 HydrophobicContact SD-CD2 3.72Å; M159-F192 HydrophobicContact SD-CE1 4.2Å; M159-F192 HydrophobicContact SD-CE2 3.09Å; M159-F192 WeakPolarHBondContact SD-CE2 3.45Å; M159-F192 HydrophobicContact SD-CG 4.44Å; M159-F192 HydrophobicContact SD-CZ 3.4Å; M159-F192 WeakPolarHBondContact SD-CZ 3.49Å; M159-S193 WeakPolarHBondContact CE-O 3.49Å
160A88.9Confident84.5Confident6 Ų634 Ų345%0.0519%0.187CC..  trans-127.6138.9171.300000110.5V67 V68 I69 P70 F168V67-A160 HydrophobicContact CG1-CB 3.93Å; V68-A160 PolarHBondContact O-N 2.98Å; I69-A160 WeakPolarHBondContact CA-O 3.36Å; I69-A160 HydrophobicContact CG1-CB 4.37Å; P70-A160 WeakPolarHBondContact CD-O 3.37Å; A160-F168 HydrophobicContact CB-CE2 4.42Å; A160-F168 HydrophobicContact CB-CZ 3.85Å
161D87.8Confident84.1Confident14 Ų1431.5 Ų31.58%0.07517%0.173CC..  trans-77.5140.7-179-77.3-36000111.7K141 M159 D163 G164K141-D161 WeakPolarHBondContact CE-OD1 3.37Å; K141-D161 VanDerWaalsContact NZ-CG 3.27Å; K141-D161 IonicContact NZ-OD1 3.24Å; K141-D161 PolarHBondContact NZ-OD1 3.42Å; K141-D161 IonicContact NZ-OD2 3.87Å; K141-D161 PolarHBondContact NZ-OD2 3.06Å; M159-D161 HydrophobicContact CE-CB 4.5Å; M159-D161 VanDerWaalsContact CE-OD1 3.26Å; M159-D161 WeakPolarHBondContact CE-OD1 3.48Å; D161-D163 VanDerWaalsContact CB-OD1 3.29Å; D161-D163 WeakPolarHBondContact CB-OD1 3.49Å; D161-D163 PolarHBondContact O-N 2.95Å; D161-G164 PolarHBondContact O-N 3.31Å
162A85.6Confident83.6Confident4 Ų435.5 Ų35.53%0.03320%0.195CC..THydrogen-bonded Turntrans-66.1-18.7-177.600000113.9I69 P70 A71 E74 M78I69-A162 HydrophobicContact CG2-CB 4.01Å; P70-A162 WeakPolarHBondContact O-CB 3.34Å; A71-A162 HydrophobicContact CB-CB 4.34Å; E74-A162 HydrophobicContact CB-CB 4.26Å; E74-A162 HydrophobicContact CG-CB 3.86Å; M78-A162 WeakPolarHBondContact CA-O 3.47Å
163D81.8Confident83Confident79 Ų7941.8 Ų41.842%0.42222%0.222SC..THydrogen-bonded Turntrans-85.8-4-17965.63.8000114D161 A165D161-D163 VanDerWaalsContact CB-OD1 3.29Å; D161-D163 WeakPolarHBondContact CB-OD1 3.49Å; D161-D163 PolarHBondContact O-N 2.95Å; D163-A165 VanDerWaalsContact C-N 3.3Å; D163-A165 PolarHBondContact O-N 3.27Å; D163-A165 WeakPolarHBondContact OD1-CB 3.41Å; D163-A165 PolarHBondContact OD1-N 2.84Å
164G75.4Confident82.2Confident13 Ų1340.7 Ų40.713%0.13422%0.22CC..  trans71.919.7-17900000114.3D161 T166D161-G164 PolarHBondContact O-N 3.31Å; G164-T166 PolarHBondContact O-N 2.78Å
165A75.1Confident81.7Confident53 Ų5342.3 Ų42.344%0.43823%0.227SC..  trans-61.4-21.8174.900000113.2D163D163-A165 VanDerWaalsContact C-N 3.3Å; D163-A165 PolarHBondContact O-N 3.27Å; D163-A165 WeakPolarHBondContact OD1-CB 3.41Å; D163-A165 PolarHBondContact OD1-N 2.84Å
166T70.5Confident81.2Confident31 Ų3139.3 Ų39.319%0.1922%0.223CC..SBendtrans-109.8133.1171.7-55.40000109.3G164G164-T166 PolarHBondContact O-N 2.78Å
167K78.3Confident80.7Confident96 Ų9638.6 Ų38.642%0.41723%0.227SC..  trans-89.7139.5176.9-65.7-58.4-172.7-171.50111.4E84 S169 D170E84-K167 WeakPolarHBondContact OE1-CA 3.38Å; E84-K167 VanDerWaalsContact OE1-CD 3.28Å; E84-K167 WeakPolarHBondContact OE1-CD 3.21Å; E84-K167 WeakPolarHBondContact OE2-CD 3.32Å; E84-K167 IonicContact OE2-NZ 2.74Å; E84-K167 PolarHBondContact OE2-NZ 2.77Å; K167-S169 PolarHBondContact O-N 2.08Å; K167-D170 WeakPolarHBondContact O-CB 3.47Å; K167-D170 PolarHBondContact O-N 3.04Å
168F81.3Confident79.8Confident8 Ų839.1 Ų39.14%0.03523%0.229CC..G310 helixtrans-69-21.3179.2-82.2-91000112.7V67 M81 E84 A85 Y88 L158 A160 D170 L171V67-F168 HydrophobicContact CG1-CE1 4Å; V67-F168 HydrophobicContact CG1-CZ 4.02Å; V67-F168 HydrophobicContact CG2-CE1 4.37Å; M81-F168 HydrophobicContact CG-CE2 4.37Å; M81-F168 HydrophobicContact SD-CE2 3.89Å; M81-F168 HydrophobicContact SD-CZ 4.36Å; E84-F168 PolarHBondContact OE1-N 2.87Å; A85-F168 HydrophobicContact CB-CD1 4.32Å; A85-F168 HydrophobicContact CB-CD2 3.78Å; A85-F168 HydrophobicContact CB-CE1 3.87Å; A85-F168 HydrophobicContact CB-CE2 3.28Å; A85-F168 HydrophobicContact CB-CG 4.28Å; A85-F168 HydrophobicContact CB-CZ 3.33Å; Y88-F168 HydrophobicContact CD1-CB 4.02Å; Y88-F168 HydrophobicContact CD2-CB 4.26Å; Y88-F168 WeakPolarHBondContact CE2-O 3.28Å; Y88-F168 HydrophobicContact CG-CB 3.79Å; L158-F168 HydrophobicContact CD2-CE1 4.3Å; A160-F168 HydrophobicContact CB-CE2 4.42Å; A160-F168 HydrophobicContact CB-CZ 3.85Å; F168-D170 PolarHBondContact O-N 2.74Å; F168-L171 WeakPolarHBondContact O-CB 3.21Å; F168-L171 PolarHBondContact O-N 2.62Å
169S79.4Confident78.7Confident71 Ų7145.8 Ų45.850%0.49726%0.258SS..G310 helixtrans-60.7-21.317057.70000113.9K167 L171K167-S169 PolarHBondContact O-N 2.08Å; S169-L171 VanDerWaalsContact C-N 3.3Å
170D79.3Confident77.4Confident55 Ų5551.7 Ų51.729%0.29429%0.289SS..G310 helixtrans-83.1-6.8177.3-67.7-42000112.8K167 F168 D172 K173 V174K167-D170 WeakPolarHBondContact O-CB 3.47Å; K167-D170 PolarHBondContact O-N 3.04Å; F168-D170 PolarHBondContact O-N 2.74Å; D170-D172 VanDerWaalsContact C-N 3.26Å; D170-D172 PolarHBondContact O-N 2.82Å; D170-K173 WeakPolarHBondContact O-CB 3.13Å; D170-K173 PolarHBondContact O-N 3.18Å; D170-K173 IonicContact OD1-NZ 2.79Å; D170-K173 PolarHBondContact OD1-NZ 2.81Å; D170-V174 WeakPolarHBondContact O-CG2 3.26Å; D170-V174 PolarHBondContact O-N 3.06Å; D170-V174 VanDerWaalsContact O-N 3.13Å
171L81.5Confident76.2Confident10 Ų1053.4 Ų53.45%0.05230%0.299CS..Hα-helixtrans-57.5-39.6179.9-178.156.6000112.2L65 Y88 L158 F168 S169 K173 V174 E175L65-L171 HydrophobicContact CD2-CD2 3.72Å; Y88-L171 HydrophobicContact CE1-CB 4.31Å; Y88-L171 HydrophobicContact CE1-CD2 3.94Å; L158-L171 HydrophobicContact CD1-CD1 4.49Å; L158-L171 HydrophobicContact CD2-CD1 3.76Å; L158-L171 HydrophobicContact CD2-CD2 4.42Å; F168-L171 WeakPolarHBondContact O-CB 3.21Å; F168-L171 PolarHBondContact O-N 2.62Å; S169-L171 VanDerWaalsContact C-N 3.3Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.87Å; L171-V174 WeakPolarHBondContact O-CB 3.2Å; L171-V174 PolarHBondContact O-N 3.28Å; L171-V174 VanDerWaalsContact O-N 3.13Å; L171-E175 HydrophobicContact CD1-CG 4.29Å; L171-E175 HydrophobicContact CG-CG 4.46Å; L171-E175 WeakPolarHBondContact O-CG 3.1Å; L171-E175 PolarHBondContact O-N 3.16Å
172D80.8Confident74.9Confident84 Ų8455.5 Ų55.545%0.44931%0.31SS..Hα-helixtrans-63.1-35.3179.1-62.8-49.2000112Y88 D170 A176Y88-D172 PolarHBondContact OH-OD1 2.79Å; Y88-D172 PolarHBondContact OH-OD2 3.47Å; D170-D172 VanDerWaalsContact C-N 3.26Å; D170-D172 PolarHBondContact O-N 2.82Å; D172-A176 VanDerWaalsContact O-CB 3.31Å; D172-A176 WeakPolarHBondContact O-CB 3.04Å; D172-A176 PolarHBondContact O-N 3.48Å
173K78.8Confident73Confident134 Ų13461.6 Ų61.658%0.58335%0.347SS*.Hα-helixtrans-68.4-40.2175.5-59.7174.6-174.2159.30111.1D170 L171 A176 G177D170-K173 WeakPolarHBondContact O-CB 3.13Å; D170-K173 PolarHBondContact O-N 3.18Å; D170-K173 IonicContact OD1-NZ 2.79Å; D170-K173 PolarHBondContact OD1-NZ 2.81Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.87Å; K173-A176 PolarHBondContact O-N 2.85Å; K173-G177 PolarHBondContact O-N 3.49Å
174V74.8Confident71.3Confident17 Ų1759.9 Ų59.910%0.10335%0.348CS..Hα-helixtrans-63.3-47.4176.8175.30000110.5D170 L171 A176 G177 L178 Y191 L203D170-V174 WeakPolarHBondContact O-CG2 3.26Å; D170-V174 PolarHBondContact O-N 3.06Å; D170-V174 VanDerWaalsContact O-N 3.13Å; L171-V174 WeakPolarHBondContact O-CB 3.2Å; L171-V174 PolarHBondContact O-N 3.28Å; L171-V174 VanDerWaalsContact O-N 3.13Å; V174-A176 VanDerWaalsContact C-N 3.35Å; V174-A176 PolarHBondContact O-N 3.45Å; V174-G177 PolarHBondContact O-N 2.8Å; V174-L178 WeakPolarHBondContact O-CB 3.4Å; V174-L178 PolarHBondContact O-N 2.99Å; V174-Y191 HydrophobicContact CG1-CD1 4.01Å; V174-Y191 HydrophobicContact CG1-CD2 3.89Å; V174-Y191 HydrophobicContact CG1-CE1 3.59Å; V174-Y191 HydrophobicContact CG1-CE2 3.48Å; V174-Y191 VanDerWaalsContact CG1-CE2 3.48Å; V174-Y191 HydrophobicContact CG1-CG 4.13Å; V174-Y191 HydrophobicContact CG2-CE1 4.31Å; V174-Y191 VanDerWaalsContact CG2-OH 3.25Å; V174-Y191 WeakPolarHBondContact CG2-OH 3.35Å; V174-L203 HydrophobicContact CG1-CD2 4.36Å; V174-L203 HydrophobicContact CG2-CD2 4.26Å
175E77.6Confident69.5Low33 Ų3365.6 Ų65.615%0.15438%0.382CS..Hα-helixtrans-65.2-37.6178.5-72.8-178.5-174.500112.5R92 L171 L178 K179R92-E175 IonicContact CZ-OE1 2.69Å; R92-E175 VanDerWaalsContact CZ-OE1 3.29Å; R92-E175 IonicContact CZ-OE2 3.14Å; R92-E175 IonicContact NH1-OE1 3.97Å; R92-E175 PolarHBondContact NH1-OE1 2.82Å; R92-E175 IonicContact NH1-OE2 2.95Å; R92-E175 PolarHBondContact NH1-OE2 2.95Å; R92-E175 IonicContact NH2-OE1 2.73Å; R92-E175 PolarHBondContact NH2-OE1 2.87Å; R92-E175 IonicContact NH2-OE2 2.66Å; R92-E175 PolarHBondContact NH2-OE2 2.74Å; L171-E175 HydrophobicContact CD1-CG 4.29Å; L171-E175 HydrophobicContact CG-CG 4.46Å; L171-E175 WeakPolarHBondContact O-CG 3.1Å; L171-E175 PolarHBondContact O-N 3.16Å; E175-L178 WeakPolarHBondContact O-CB 3.24Å; E175-L178 PolarHBondContact O-N 3.08Å; E175-K179 PolarHBondContact O-N 3.5Å
176A76.4Confident68.2Low50 Ų5067.2 Ų67.241%0.41339%0.386SS..Hα-helixtrans-61.5-52.8174.200000111.1D172 K173 V174 L178 K179D172-A176 VanDerWaalsContact O-CB 3.31Å; D172-A176 WeakPolarHBondContact O-CB 3.04Å; D172-A176 PolarHBondContact O-N 3.48Å; K173-A176 PolarHBondContact O-N 2.85Å; V174-A176 VanDerWaalsContact C-N 3.35Å; V174-A176 PolarHBondContact O-N 3.45Å; A176-L178 PolarHBondContact O-N 3.28Å; A176-L178 VanDerWaalsContact O-N 3.15Å; A176-K179 PolarHBondContact O-N 3.47Å; A176-K179 VanDerWaalsContact O-N 3.11Å
177G73.6Confident66.6Low28 Ų2867.8 Ų67.829%0.28940%0.398SS..Hα-helixtrans-61.6-25.117700000112.9K173 V174 V181K173-G177 PolarHBondContact O-N 3.49Å; V174-G177 PolarHBondContact O-N 2.8Å; G177-V181 WeakPolarHBondContact O-CG2 3.17Å
178L69.9Low65Low18 Ų1866.3 Ų66.39%0.09439%0.392CS..Hα-helixtrans-72-37.4176.5-179.762.3000113.3L156 V174 E175 A176 D180 V181 I182 L189 F205L156-L178 HydrophobicContact CD2-CD2 4.05Å; V174-L178 WeakPolarHBondContact O-CB 3.4Å; V174-L178 PolarHBondContact O-N 2.99Å; E175-L178 WeakPolarHBondContact O-CB 3.24Å; E175-L178 PolarHBondContact O-N 3.08Å; A176-L178 PolarHBondContact O-N 3.28Å; A176-L178 VanDerWaalsContact O-N 3.15Å; L178-D180 PolarHBondContact O-N 3.44Å; L178-V181 PolarHBondContact O-N 3Å; L178-V181 VanDerWaalsContact O-N 3.08Å; L178-I182 HydrophobicContact CD1-CD1 3.78Å; L178-I182 HydrophobicContact CD1-CG1 3.9Å; L178-I182 HydrophobicContact CD2-CD1 3.93Å; L178-I182 HydrophobicContact CG-CD1 3.57Å; L178-I182 HydrophobicContact CG-CG1 4.12Å; L178-I182 WeakPolarHBondContact O-CG1 3.29Å; L178-I182 PolarHBondContact O-N 3.39Å; L178-L189 HydrophobicContact CD1-CD2 3.03Å; L178-L189 HydrophobicContact CD1-CG 4.47Å; L178-L189 HydrophobicContact CD2-CD2 3.93Å; L178-L189 HydrophobicContact CG-CD2 4Å; L178-F205 HydrophobicContact CB-CE1 4.4Å; L178-F205 HydrophobicContact CD1-CD1 3.84Å; L178-F205 HydrophobicContact CD1-CE1 3.62Å
179K66.5Low63.4Low154 Ų15466.9 Ų66.967%0.6740%0.396SS*.Hα-helixtrans-59.6-34177.1-70.9172.3-176.8174.90111.7E175 A176 V181E175-K179 PolarHBondContact O-N 3.5Å; A176-K179 PolarHBondContact O-N 3.47Å; A176-K179 VanDerWaalsContact O-N 3.11Å; K179-V181 VanDerWaalsContact C-N 3.31Å; K179-V181 PolarHBondContact O-N 2.8Å
180D62.8Low61.8Low128 Ų12864 Ų6468%0.68437%0.374SS*.Hα-helixtrans-71.1-27.6178.6-60-25.2000112.5L178L178-D180 PolarHBondContact O-N 3.44Å
181V63.8Low60.3Low42 Ų4262.6 Ų62.626%0.25537%0.365SS..Hα-helixtrans-86.5-31.6180178.90000111.6G177 L178 K179 T183 F219G177-V181 WeakPolarHBondContact O-CG2 3.17Å; L178-V181 PolarHBondContact O-N 3Å; L178-V181 VanDerWaalsContact O-N 3.08Å; K179-V181 VanDerWaalsContact C-N 3.31Å; K179-V181 PolarHBondContact O-N 2.8Å; V181-T183 VanDerWaalsContact C-N 3.33Å; V181-T183 PolarHBondContact O-N 3.3Å; V181-F219 HydrophobicContact CG2-CE2 4.37Å
182I59.1Low58.4Low58 Ų5864.1 Ų64.130%0.29737%0.371SS..  trans-8474.7178.6-56.7171.4000109.8L178 V186 L189L178-I182 HydrophobicContact CD1-CD1 3.78Å; L178-I182 HydrophobicContact CD1-CG1 3.9Å; L178-I182 HydrophobicContact CD2-CD1 3.93Å; L178-I182 HydrophobicContact CG-CD1 3.57Å; L178-I182 HydrophobicContact CG-CG1 4.12Å; L178-I182 WeakPolarHBondContact O-CG1 3.29Å; L178-I182 PolarHBondContact O-N 3.39Å; I182-V186 HydrophobicContact CB-CG1 4.45Å; I182-V186 HydrophobicContact CD1-CG1 4.41Å; I182-V186 HydrophobicContact CG1-CG1 4.17Å; I182-V186 HydrophobicContact CG2-CB 4.2Å; I182-V186 HydrophobicContact CG2-CG1 3.52Å; I182-V186 HydrophobicContact CG2-CG2 3.57Å; I182-L189 HydrophobicContact CD1-CD2 3.94Å; I182-L189 HydrophobicContact CG1-CD2 4.16Å
183T46Very low56.4Low132 Ų13260.1 Ų60.181%0.8135%0.35SS*.  trans-10826.4170.345.70000112.8V181V181-T183 VanDerWaalsContact C-N 3.33Å; V181-T183 PolarHBondContact O-N 3.3Å
184G46.8Very low54.5Low43 Ų4358.8 Ų58.844%0.44334%0.342SS..SBendtrans-147.3169.7176.700000113.8V186G184-V186 PolarHBondContact O-N 3.29Å
185P37.2Very low52.5Low133 Ų13359.7 Ų59.786%0.86435%0.347SS*.  trans-63.2110.1-177.624.6-31000110.1
186V47.2Very low50.4Low86 Ų8660.8 Ų60.852%0.52136%0.357SS..  trans-88.4116.8-170.2-107.50000112I182 G184I182-V186 HydrophobicContact CB-CG1 4.45Å; I182-V186 HydrophobicContact CD1-CG1 4.41Å; I182-V186 HydrophobicContact CG1-CG1 4.17Å; I182-V186 HydrophobicContact CG2-CB 4.2Å; I182-V186 HydrophobicContact CG2-CG1 3.52Å; I182-V186 HydrophobicContact CG2-CG2 3.57Å; G184-V186 PolarHBondContact O-N 3.29Å
187G38.1Very low48.2Very low43 Ų4362.3 Ų62.344%0.44336%0.364SS..  trans-86145147.100000109.6
188F43.4Very low46.4Very low66 Ų6671.5 Ų71.529%0.28939%0.391SS..  trans-0.3119.4172.6-103.9-92.8000116.8L57 I157 F190L57-F188 HydrophobicContact CD1-CD1 3.69Å; L57-F188 HydrophobicContact CD1-CE1 3.39Å; L57-F188 HydrophobicContact CD1-CZ 4.08Å; L57-F188 HydrophobicContact CG-CD1 4.37Å; L57-F188 HydrophobicContact CG-CE1 4.24Å; I157-F188 HydrophobicContact CD1-CE1 4.38Å; F188-F190 HydrophobicContact CB-CE2 4.1Å; F188-F190 HydrophobicContact CD1-CE2 4.28Å; F188-F190 HydrophobicContact CD1-CZ 4.03Å
189L48.4Very low44.5Very low20 Ų2079.3 Ų79.311%0.10543%0.425CS..EExtended strand (participates in β ladder)trans-114.7131.3-178-159.980.2000112.1L178 I182 Y206 Q207L178-L189 HydrophobicContact CD1-CD2 3.03Å; L178-L189 HydrophobicContact CD1-CG 4.47Å; L178-L189 HydrophobicContact CD2-CD2 3.93Å; L178-L189 HydrophobicContact CG-CD2 4Å; I182-L189 HydrophobicContact CD1-CD2 3.94Å; I182-L189 HydrophobicContact CG1-CD2 4.16Å; L189-Y206 WeakPolarHBondContact CD1-O 3.5Å; L189-Q207 HydrophobicContact CD1-CB 4.32Å
190F46Very low42.8Very low10 Ų1073 Ų734%0.04440%0.4CS..EExtended strand (participates in β ladder)trans-111.3133179.9-60.8-95.6000110L57 T149 I157 F188 Y206 L208L57-F190 HydrophobicContact CD1-CE1 3.97Å; L57-F190 HydrophobicContact CD1-CZ 3.62Å; L57-F190 HydrophobicContact CD2-CE1 4.39Å; L57-F190 HydrophobicContact CD2-CE2 4.5Å; L57-F190 HydrophobicContact CD2-CZ 3.61Å; L57-F190 HydrophobicContact CG-CZ 4.18Å; T149-F190 HydrophobicContact CG2-CD1 3.17Å; T149-F190 HydrophobicContact CG2-CE1 3.03Å; T149-F190 HydrophobicContact CG2-CG 4.44Å; T149-F190 HydrophobicContact CG2-CZ 4.23Å; I157-F190 HydrophobicContact CB-CD1 4.31Å; I157-F190 HydrophobicContact CD1-CD1 3.69Å; I157-F190 HydrophobicContact CD1-CE1 3.29Å; I157-F190 HydrophobicContact CD1-CZ 4.09Å; F188-F190 HydrophobicContact CB-CE2 4.1Å; F188-F190 HydrophobicContact CD1-CE2 4.28Å; F188-F190 HydrophobicContact CD1-CZ 4.03Å; F190-Y206 PolarHBondContact N-O 3.43Å; F190-Y206 PolarHBondContact O-N 2.89Å; F190-Y206 VanDerWaalsContact O-N 3.09Å; F190-L208 HydrophobicContact CD2-CB 4.38Å; F190-L208 HydrophobicContact CD2-CD1 3.53Å; F190-L208 HydrophobicContact CE2-CB 3.98Å; F190-L208 HydrophobicContact CE2-CD1 3.04Å; F190-L208 HydrophobicContact CE2-CG 4.08Å; F190-L208 HydrophobicContact CZ-CD1 3.7Å
191Y47.2Very low41.7Very low26 Ų2669 Ų6910%0.10238%0.38CS..EExtended strand (participates in β ladder)trans-115.8128.3-179.7174.1-100.2000111.1I157 L158 M159 V174 L203 F205I157-Y191 WeakPolarHBondContact O-CB 3.46Å; I157-Y191 PolarHBondContact O-N 3.21Å; I157-Y191 VanDerWaalsContact O-N 3.09Å; L158-Y191 HydrophobicContact CD1-CD1 3.33Å; L158-Y191 HydrophobicContact CD1-CE1 3.31Å; M159-Y191 PolarHBondContact N-O 2.96Å; V174-Y191 HydrophobicContact CG1-CD1 4.01Å; V174-Y191 HydrophobicContact CG1-CD2 3.89Å; V174-Y191 HydrophobicContact CG1-CE1 3.59Å; V174-Y191 HydrophobicContact CG1-CE2 3.48Å; V174-Y191 VanDerWaalsContact CG1-CE2 3.48Å; V174-Y191 HydrophobicContact CG1-CG 4.13Å; V174-Y191 HydrophobicContact CG2-CE1 4.31Å; V174-Y191 VanDerWaalsContact CG2-OH 3.25Å; V174-Y191 WeakPolarHBondContact CG2-OH 3.35Å; Y191-L203 HydrophobicContact CE2-CB 3.98Å; Y191-L203 HydrophobicContact CE2-CD2 3.57Å; Y191-L203 HydrophobicContact CE2-CG 3.75Å; Y191-L203 WeakPolarHBondContact OH-CD2 3.4Å; Y191-L203 VanDerWaalsContact OH-CG 3.26Å; Y191-L203 WeakPolarHBondContact OH-CG 3.3Å; Y191-F205 HydrophobicContact CD2-CE1 4.36Å
192F42.8Very low40.5Very low41 Ų4167.8 Ų67.818%0.1837%0.373CS..EExtended strand (participates in β ladder)trans-122.9113.6177.1-153.6-111.3000109.3V145 M159 Y194 C204 Y206V145-F192 HydrophobicContact CB-CE2 3.97Å; V145-F192 HydrophobicContact CG1-CD2 3.92Å; V145-F192 HydrophobicContact CG1-CE2 3.36Å; V145-F192 HydrophobicContact CG1-CZ 4.38Å; V145-F192 HydrophobicContact CG2-CE2 3.61Å; V145-F192 HydrophobicContact CG2-CZ 4.05Å; M159-F192 HydrophobicContact CB-CD2 3.69Å; M159-F192 HydrophobicContact CB-CE2 3.9Å; M159-F192 HydrophobicContact CG-CD2 3.95Å; M159-F192 HydrophobicContact CG-CE2 3.6Å; M159-F192 HydrophobicContact CG-CZ 4.46Å; M159-F192 HydrophobicContact SD-CD2 3.72Å; M159-F192 HydrophobicContact SD-CE1 4.2Å; M159-F192 HydrophobicContact SD-CE2 3.09Å; M159-F192 WeakPolarHBondContact SD-CE2 3.45Å; M159-F192 HydrophobicContact SD-CG 4.44Å; M159-F192 HydrophobicContact SD-CZ 3.4Å; M159-F192 WeakPolarHBondContact SD-CZ 3.49Å; F192-Y194 HydrophobicContact CD1-CD2 4.35Å; F192-Y194 AromaticContact CE1-CD2 3.58Å; F192-Y194 HydrophobicContact CE1-CD2 3.58Å; F192-Y194 HydrophobicContact CE1-CE2 4.28Å; F192-Y194 HydrophobicContact CE1-CG 4.48Å; F192-Y194 HydrophobicContact CZ-CD2 4.32Å; F192-C204 PolarHBondContact N-O 3.45Å; F192-C204 PolarHBondContact O-N 2.93Å; F192-Y206 HydrophobicContact CB-CE2 4.1Å
193S38.3Very low39.8Very low1 Ų165.5 Ų65.51%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-90.9127.5167.1-170.80000108.2M159 T201M159-S193 WeakPolarHBondContact CE-O 3.49Å; S193-T201 WeakPolarHBondContact OG-CG2 3.11Å
194Y39.2Very low39.6Very low105 Ų10559.5 Ų59.541%0.41232%0.324SS..EExtended strand (participates in β ladder)trans-126.3121.9171.6-154.3-93.2000109.5K141 F192 V196 V202K141-Y194 HydrophobicContact CD-CE2 4.13Å; F192-Y194 HydrophobicContact CD1-CD2 4.35Å; F192-Y194 AromaticContact CE1-CD2 3.58Å; F192-Y194 HydrophobicContact CE1-CD2 3.58Å; F192-Y194 HydrophobicContact CE1-CE2 4.28Å; F192-Y194 HydrophobicContact CE1-CG 4.48Å; F192-Y194 HydrophobicContact CZ-CD2 4.32Å; Y194-V196 HydrophobicContact CD1-CG2 3.66Å; Y194-V196 HydrophobicContact CE1-CG2 4.07Å; Y194-V202 PolarHBondContact N-O 3.3Å; Y194-V202 PolarHBondContact O-N 2.95Å
195T32.5Very low39.4Very low36 Ų3657.6 Ų57.622%0.22130%0.304CS..EExtended strand (participates in β ladder)trans-88.2109.2173.3-47.50000108.9
196V32.7Very low39.7Very low57 Ų5752.9 Ų52.935%0.34527%0.269SS..EExtended strand (participates in β ladder)trans-95.6102.8168.4-177.20000107.3Y194 C200 V202Y194-V196 HydrophobicContact CD1-CG2 3.66Å; Y194-V196 HydrophobicContact CE1-CG2 4.07Å; V196-C200 PolarHBondContact N-O 3.46Å; V196-V202 HydrophobicContact CG2-CG2 4.49Å
197S31Very low39.2Very low81 Ų8152.1 Ų52.157%0.56626%0.26SS*.THydrogen-bonded Turntrans52.995.5168.4-161.50000115.6K199S197-K199 PolarHBondContact O-N 2.67Å
198Y34.8Very low39.2Very low221 Ų22152.4 Ų52.487%0.86725%0.251SS*.THydrogen-bonded Turntrans44.7-12.6164.4-32.7-73.5000121.2
199K30.5Very low38.5Very low182 Ų18252.4 Ų52.479%0.79126%0.259SS*.THydrogen-bonded Turntrans-148.72.5-175.6-70.2-169.6177.7179.20115.2S197S197-K199 PolarHBondContact O-N 2.67Å
200C31.6Very low37.7Very low23 Ų2356.3 Ų56.316%0.15529%0.288CS..EExtended strand (participates in β ladder)trans-129.9106.5179.5-161.40000111.4V196 S220V196-C200 PolarHBondContact N-O 3.46Å; C200-S220 PolarHBondContact SG-OG 2.91Å
201T39.4Very low37.2Very low43 Ų4366.7 Ų66.726%0.26433%0.327SS..EExtended strand (participates in β ladder)trans-89.6117.1167.7-530000108S193 L203S193-T201 WeakPolarHBondContact OG-CG2 3.11Å; T201-L203 HydrophobicContact CG2-CD1 4.15Å
202V39.1Very low36.5Very low17 Ų1773.8 Ų73.810%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-99.1105.7176.4177.40000107.4Y194 V196 C218Y194-V202 PolarHBondContact N-O 3.3Å; Y194-V202 PolarHBondContact O-N 2.95Å; V196-V202 HydrophobicContact CG2-CG2 4.49Å; V202-C218 HydrophobicContact CG1-CB 4.48Å; V202-C218 WeakPolarHBondContact CG1-SG 3.2Å
203L43.3Very low36.1Very low10 Ų1075.7 Ų75.75%0.05236%0.362CS..EExtended strand (participates in β ladder)trans-82.1117.3172.1-76.787.3000107.9V174 Y191 T201 F205 C218 F219 L221V174-L203 HydrophobicContact CG1-CD2 4.36Å; V174-L203 HydrophobicContact CG2-CD2 4.26Å; Y191-L203 HydrophobicContact CE2-CB 3.98Å; Y191-L203 HydrophobicContact CE2-CD2 3.57Å; Y191-L203 HydrophobicContact CE2-CG 3.75Å; Y191-L203 WeakPolarHBondContact OH-CD2 3.4Å; Y191-L203 VanDerWaalsContact OH-CG 3.26Å; Y191-L203 WeakPolarHBondContact OH-CG 3.3Å; T201-L203 HydrophobicContact CG2-CD1 4.15Å; L203-F205 HydrophobicContact CB-CE2 3.89Å; L203-F205 HydrophobicContact CB-CZ 4.42Å; L203-F205 HydrophobicContact CD2-CE2 4.32Å; L203-F205 HydrophobicContact CD2-CZ 4.07Å; L203-C218 CarbonylContact O-C 3.51Å; L203-C218 WeakPolarHBondContact O-CA 3.4Å; L203-C218 PolarHBondContact O-SG 3.35Å; L203-F219 HydrophobicContact CB-CB 4.4Å; L203-F219 PolarHBondContact N-O 3.23Å; L203-F219 PolarHBondContact O-N 2.92Å; L203-L221 HydrophobicContact CD1-CD1 3.63Å; L203-L221 HydrophobicContact CD1-CG 4.12Å
204C41.7Very low35.7Very low5 Ų583 Ų833%0.03439%0.393CS..EExtended strand (participates in β ladder)trans-113.9124.3172.8-107.10000111F192 Y206 C218F192-C204 PolarHBondContact N-O 3.45Å; F192-C204 PolarHBondContact O-N 2.93Å; C204-Y206 HydrophobicContact CB-CE2 4.2Å; C204-C218 VanDerWaalsContact CA-SG 3.52Å; C204-C218 WeakPolarHBondContact CB-SG 3.36Å; C204-C218 WeakPolarHBondContact SG-CB 3.35Å; C204-C218 CovalentContact SG-SG 2.08Å; C204-C218 PolarHBondContact SG-SG 2.94Å
205F42.4Very low35.6Very low4 Ų479.2 Ų79.22%0.01838%0.381CS..EExtended strand (participates in β ladder)trans-95.5127.8-177.4-65.5-93.2000110L178 Y191 L203 V215 T216 Q217 F219L178-F205 HydrophobicContact CB-CE1 4.4Å; L178-F205 HydrophobicContact CD1-CD1 3.84Å; L178-F205 HydrophobicContact CD1-CE1 3.62Å; Y191-F205 HydrophobicContact CD2-CE1 4.36Å; L203-F205 HydrophobicContact CB-CE2 3.89Å; L203-F205 HydrophobicContact CB-CZ 4.42Å; L203-F205 HydrophobicContact CD2-CE2 4.32Å; L203-F205 HydrophobicContact CD2-CZ 4.07Å; F205-V215 CarbonylContact O-C 3.6Å; F205-V215 WeakPolarHBondContact O-CA 3.48Å; F205-T216 PolarHBondContact O-N 3.38Å; F205-Q217 HydrophobicContact CD2-CB 4.32Å; F205-Q217 WeakPolarHBondContact CD2-O 3.29Å; F205-Q217 PolarHBondContact N-O 3.37Å; F205-Q217 VanDerWaalsContact N-O 3.11Å; F205-F219 HydrophobicContact CD2-CD2 4.34Å; F205-F219 AromaticContact CE2-CD2 3.7Å; F205-F219 HydrophobicContact CE2-CD2 3.7Å; F205-F219 HydrophobicContact CE2-CE2 4.15Å
206Y43.9Very low35.6Very low33 Ų3380.8 Ų80.813%0.12939%0.391CS..EExtended strand (participates in β ladder)trans-115.8118.1174.2-66.1-93.8000110.4L189 F190 F192 C204 F213 K214 V215 T241L189-Y206 WeakPolarHBondContact CD1-O 3.5Å; F190-Y206 PolarHBondContact N-O 3.43Å; F190-Y206 PolarHBondContact O-N 2.89Å; F190-Y206 VanDerWaalsContact O-N 3.09Å; F192-Y206 HydrophobicContact CB-CE2 4.1Å; C204-Y206 HydrophobicContact CB-CE2 4.2Å; Y206-F213 HydrophobicContact CD1-CB 4.18Å; Y206-F213 AromaticContact CD1-CD1 3.88Å; Y206-F213 HydrophobicContact CD1-CD1 3.88Å; Y206-F213 HydrophobicContact CG-CD1 4.28Å; Y206-K214 WeakPolarHBondContact CA-O 3.29Å; Y206-V215 HydrophobicContact CD1-CG2 3.85Å; Y206-V215 HydrophobicContact CE1-CB 4.45Å; Y206-V215 HydrophobicContact CE1-CG2 3.22Å; Y206-V215 HydrophobicContact CE2-CG2 4.43Å; Y206-T241 HydrophobicContact CE1-CG2 4.29Å
207Q36.2Very low35.7Very low71 Ų7182.3 Ų82.333%0.33239%0.394SS..EExtended strand (participates in β ladder)trans-95.3120.1171.3-171.5178.2-4.800109.7L189 S209 K214L189-Q207 HydrophobicContact CD1-CB 4.32Å; Q207-S209 PolarHBondContact O-N 3.26Å; Q207-S209 VanDerWaalsContact O-N 3.14Å; Q207-K214 PolarHBondContact N-O 3.38Å
208L38.7Very low36Very low48 Ų4879.2 Ų79.225%0.25137%0.373SS..  trans-8961.1175.1-120.1138.7000110F190 F213F190-L208 HydrophobicContact CD2-CB 4.38Å; F190-L208 HydrophobicContact CD2-CD1 3.53Å; F190-L208 HydrophobicContact CE2-CB 3.98Å; F190-L208 HydrophobicContact CE2-CD1 3.04Å; F190-L208 HydrophobicContact CE2-CG 4.08Å; F190-L208 HydrophobicContact CZ-CD1 3.7Å; L208-F213 HydrophobicContact CD1-CD1 4.24Å; L208-F213 HydrophobicContact CD1-CE1 3.66Å; L208-F213 HydrophobicContact CD1-CE2 4.09Å; L208-F213 HydrophobicContact CD1-CZ 3.58Å
209S29.3Very low36.1Very low67 Ų6773.1 Ų73.147%0.46935%0.351SS..  trans-94.8117.9168.2178.90000108.6Q207Q207-S209 PolarHBondContact O-N 3.26Å; Q207-S209 VanDerWaalsContact O-N 3.14Å
210S30.5Very low36.4Very low101 Ų10166.1 Ų66.171%0.70633%0.325SS*.SBendtrans62.264.717355.80000116.7R212S210-R212 PolarHBondContact O-N 3.26Å
211R35.4Very low36.8Very low229 Ų22969.7 Ų69.786%0.86434%0.342SS*.SBendtrans54.418.9165.1-58.8-174.8-179.6-164.50.2116.1
212R32.4Very low36.6Very low175 Ų17573.8 Ų73.866%0.6636%0.362SS*.SBendtrans-131.5133.4173.5-70.7-175.6-175.3142.12.6109.5S210 K214S210-R212 PolarHBondContact O-N 3.26Å; R212-K214 PolarHBondContact O-N 3.21Å
213F34.2Very low36.6Very low81 Ų8178 Ų7836%0.35539%0.392SS..  trans-73.6113.2166-82.4-93.4000107.8Y206 L208Y206-F213 HydrophobicContact CD1-CB 4.18Å; Y206-F213 AromaticContact CD1-CD1 3.88Å; Y206-F213 HydrophobicContact CD1-CD1 3.88Å; Y206-F213 HydrophobicContact CG-CD1 4.28Å; L208-F213 HydrophobicContact CD1-CD1 4.24Å; L208-F213 HydrophobicContact CD1-CE1 3.66Å; L208-F213 HydrophobicContact CD1-CE2 4.09Å; L208-F213 HydrophobicContact CD1-CZ 3.58Å
214K30.3Very low36.3Very low153 Ų15381.5 Ų81.567%0.66543%0.431SS*.EExtended strand (participates in β ladder)trans-111.9117.1175.4-149.8173.8-174.2-176.70108Y206 Q207 R212 T216Y206-K214 WeakPolarHBondContact CA-O 3.29Å; Q207-K214 PolarHBondContact N-O 3.38Å; R212-K214 PolarHBondContact O-N 3.21Å; K214-T216 PolarHBondContact O-N 3.22Å; K214-T216 PolarHBondContact O-OG1 3.22Å
215V36.7Very low35.9Very low26 Ų2686.6 Ų86.616%0.15847%0.467CS..EExtended strand (participates in β ladder)trans-68.7110.8165.91770000106.3F205 Y206 I237 T241F205-V215 CarbonylContact O-C 3.6Å; F205-V215 WeakPolarHBondContact O-CA 3.48Å; Y206-V215 HydrophobicContact CD1-CG2 3.85Å; Y206-V215 HydrophobicContact CE1-CB 4.45Å; Y206-V215 HydrophobicContact CE1-CG2 3.22Å; Y206-V215 HydrophobicContact CE2-CG2 4.43Å; V215-I237 HydrophobicContact CG2-CG2 4.1Å; V215-T241 HydrophobicContact CG2-CG2 3.9Å
216T33Very low35.3Very low69 Ų6991.9 Ų91.942%0.42349%0.49SS..EExtended strand (participates in β ladder)trans-90.4-35.2-173.7-19.80000111.4F205 K214F205-T216 PolarHBondContact O-N 3.38Å; K214-T216 PolarHBondContact O-N 3.22Å; K214-T216 PolarHBondContact O-OG1 3.22Å
217Q35.6Very low34.7Very low89 Ų8994.4 Ų94.442%0.41651%0.512SS..EExtended strand (participates in β ladder)trans-159.8151.5-179.2-147.9156.7-2.100110F205 F219F205-Q217 HydrophobicContact CD2-CB 4.32Å; F205-Q217 WeakPolarHBondContact CD2-O 3.29Å; F205-Q217 PolarHBondContact N-O 3.37Å; F205-Q217 VanDerWaalsContact N-O 3.11Å; Q217-F219 HydrophobicContact CB-CD2 4.47Å; Q217-F219 HydrophobicContact CB-CE2 4.04Å; Q217-F219 VanDerWaalsContact CD-CE2 3.42Å; Q217-F219 HydrophobicContact CG-CD2 4.09Å; Q217-F219 HydrophobicContact CG-CE2 3.51Å; Q217-F219 HydrophobicContact CG-CZ 4.03Å; Q217-F219 VanDerWaalsContact NE2-CZ 3.31Å
218C36.9Very low34.3Very low17 Ų17100.7 Ų100.712%0.11553%0.534CS..EExtended strand (participates in β ladder)trans-136.5121.5173.8-136.60000109.8V202 L203 C204 L234V202-C218 HydrophobicContact CG1-CB 4.48Å; V202-C218 WeakPolarHBondContact CG1-SG 3.2Å; L203-C218 CarbonylContact O-C 3.51Å; L203-C218 WeakPolarHBondContact O-CA 3.4Å; L203-C218 PolarHBondContact O-SG 3.35Å; C204-C218 VanDerWaalsContact CA-SG 3.52Å; C204-C218 WeakPolarHBondContact CB-SG 3.36Å; C204-C218 WeakPolarHBondContact SG-CB 3.35Å; C204-C218 CovalentContact SG-SG 2.08Å; C204-C218 PolarHBondContact SG-SG 2.94Å; C218-L234 HydrophobicContact CB-CD1 4.44Å; C218-L234 HydrophobicContact CB-CD2 3.21Å; C218-L234 HydrophobicContact CB-CG 4.28Å
219F36.8Very low33.8Very low92 Ų92102.6 Ų102.640%0.40454%0.544SS..EExtended strand (participates in β ladder)trans-108.7138.8-174.9-74.2-95.1000110.8V181 L203 F205 Q217V181-F219 HydrophobicContact CG2-CE2 4.37Å; L203-F219 HydrophobicContact CB-CB 4.4Å; L203-F219 PolarHBondContact N-O 3.23Å; L203-F219 PolarHBondContact O-N 2.92Å; F205-F219 HydrophobicContact CD2-CD2 4.34Å; F205-F219 AromaticContact CE2-CD2 3.7Å; F205-F219 HydrophobicContact CE2-CD2 3.7Å; F205-F219 HydrophobicContact CE2-CE2 4.15Å; Q217-F219 HydrophobicContact CB-CD2 4.47Å; Q217-F219 HydrophobicContact CB-CE2 4.04Å; Q217-F219 VanDerWaalsContact CD-CE2 3.42Å; Q217-F219 HydrophobicContact CG-CD2 4.09Å; Q217-F219 HydrophobicContact CG-CE2 3.51Å; Q217-F219 HydrophobicContact CG-CZ 4.03Å; Q217-F219 VanDerWaalsContact NE2-CZ 3.31Å
220S36.3Very low33.9Very low35 Ų35101 Ų10125%0.24553%0.53CS..EExtended strand (participates in β ladder)trans-105.6121.1168.3168.30000109.6C200 N222C200-S220 PolarHBondContact SG-OG 2.91Å; S220-N222 PolarHBondContact O-N 3.41Å
221L41Very low33.8Very low98 Ų98102.3 Ų102.351%0.51352%0.524SS..  trans-91.870.3174.5-70.4165.8000110.2L203L203-L221 HydrophobicContact CD1-CD1 3.63Å; L203-L221 HydrophobicContact CD1-CG 4.12Å
222N34.8Very low33.4Very low130 Ų13097.4 Ų97.470%0.69551%0.511SS*.SBendtrans178.8157.5143.2-102.6-42.8000113.7S220S220-N222 PolarHBondContact O-N 3.41Å
223S38.9Very low33.3Very low105 Ų10592 Ų9273%0.73449%0.494SS*.  trans-60.7145.9-152.146.10000119.7S225S223-S225 PolarHBondContact O-N 3.31Å
224G37.6Very low33.2Very low83 Ų8390.6 Ų90.686%0.85649%0.49SS*.SBendtrans104.4-58.7134.200000117.8
225S33.5Very low33.2Very low113 Ų11390 Ų9079%0.7949%0.488SS*.SBendtrans-135.59.9-162.2-53.20000115.7S223S223-S225 PolarHBondContact O-N 3.31Å
226F28.7Very low32.8Very low114 Ų11495.3 Ų95.350%0.551%0.509SS..  trans-101.17.1-172.4-92.7-95.1000115.6Y228 I229 I230F226-Y228 VanDerWaalsContact C-N 3.28Å; F226-Y228 PolarHBondContact O-N 2.93Å; F226-I229 HydrophobicContact CD1-CB 4.07Å; F226-I229 HydrophobicContact CD1-CD1 3.65Å; F226-I229 HydrophobicContact CD1-CG1 4.41Å; F226-I229 HydrophobicContact CD1-CG2 4.27Å; F226-I229 HydrophobicContact CE1-CD1 3.51Å; F226-I229 HydrophobicContact CZ-CD1 4.37Å; F226-I229 PolarHBondContact O-N 3.37Å; F226-I230 WeakPolarHBondContact O-CG1 3.39Å; F226-I230 PolarHBondContact O-N 2.9Å
227S32.7Very low32.9Very low86 Ų8694.3 Ų94.360%0.60150%0.5SS*.Hα-helixtrans-57.9-36-175.6-167.60000113.3Q231S227-Q231 PolarHBondContact O-N 2.91Å
228Y27Very low32.7Very low204 Ų20498 Ų9880%0.851%0.51SS*.Hα-helixtrans-73.8-35.1-179.3-125.1-92000113.6F226 H232F226-Y228 VanDerWaalsContact C-N 3.28Å; F226-Y228 PolarHBondContact O-N 2.93Å; Y228-H232 PolarHBondContact O-N 2.98Å
229I28.7Very low32.3Very low88 Ų88102.8 Ų102.845%0.45153%0.531SS..Hα-helixtrans-72.1-36.4179.1-68.9168.5000110.5F226 H232 M233F226-I229 HydrophobicContact CD1-CB 4.07Å; F226-I229 HydrophobicContact CD1-CD1 3.65Å; F226-I229 HydrophobicContact CD1-CG1 4.41Å; F226-I229 HydrophobicContact CD1-CG2 4.27Å; F226-I229 HydrophobicContact CE1-CD1 3.51Å; F226-I229 HydrophobicContact CZ-CD1 4.37Å; F226-I229 PolarHBondContact O-N 3.37Å; I229-H232 PolarHBondContact O-N 3.44Å; I229-M233 PolarHBondContact O-N 3.37Å
230I30Very low32Very low34 Ų34107.9 Ų107.917%0.17455%0.548CS..Hα-helixtrans-67.6-43.4177.6-67.7175.5000111.1F226 H232 M233 L234F226-I230 WeakPolarHBondContact O-CG1 3.39Å; F226-I230 PolarHBondContact O-N 2.9Å; I230-H232 VanDerWaalsContact C-N 3.31Å; I230-H232 PolarHBondContact O-N 3.41Å; I230-M233 PolarHBondContact O-N 2.95Å; I230-L234 HydrophobicContact CG2-CD1 3.55Å; I230-L234 HydrophobicContact CG2-CG 4.11Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 WeakPolarHBondContact O-CD1 3.4Å; I230-L234 WeakPolarHBondContact O-CG 3.5Å; I230-L234 PolarHBondContact O-N 2.96Å
231Q28.4Very low31.7Very low127 Ų127107.2 Ų107.259%0.59354%0.542SS*.Hα-helixtrans-63.9-35.4175.3-70.6-162.39.100112.9S227 K235S227-Q231 PolarHBondContact O-N 2.91Å; Q231-K235 PolarHBondContact O-N 3.34Å
232H27.9Very low31.1Very low126 Ų126105.4 Ų105.458%0.58354%0.537SS*.Hα-helixtrans-72.9-37.8177.8-158.6-5.3000112.7Y228 I229 I230 K236Y228-H232 PolarHBondContact O-N 2.98Å; I229-H232 PolarHBondContact O-N 3.44Å; I230-H232 VanDerWaalsContact C-N 3.31Å; I230-H232 PolarHBondContact O-N 3.41Å; H232-K236 PolarHBondContact O-N 3.03Å
233M30.3Very low30.7Very low63 Ų63102.4 Ų102.431%0.3152%0.522SS..Hα-helixtrans-67.7-38.9170.9-85.4-144.5-75.600112.3I229 I230 K235 K236 I237I229-M233 PolarHBondContact O-N 3.37Å; I230-M233 PolarHBondContact O-N 2.95Å; M233-K235 VanDerWaalsContact C-N 3.34Å; M233-K235 PolarHBondContact O-N 3.35Å; M233-K236 CarbonylContact O-C 3.6Å; M233-K236 WeakPolarHBondContact O-CA 3.49Å; M233-K236 WeakPolarHBondContact O-CB 3.31Å; M233-K236 PolarHBondContact O-N 3.02Å; M233-K236 VanDerWaalsContact O-N 3.08Å; M233-I237 WeakPolarHBondContact O-CG1 3.37Å; M233-I237 PolarHBondContact O-N 3.3Å
234L32.8Very low30.4Very low50 Ų50100.2 Ų100.226%0.26250%0.503SS..Hα-helixtrans-64.5-36.6175.9-76.6171000112.1C218 I230 K236 I237 W238C218-L234 HydrophobicContact CB-CD1 4.44Å; C218-L234 HydrophobicContact CB-CD2 3.21Å; C218-L234 HydrophobicContact CB-CG 4.28Å; I230-L234 HydrophobicContact CG2-CD1 3.55Å; I230-L234 HydrophobicContact CG2-CG 4.11Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 WeakPolarHBondContact O-CD1 3.4Å; I230-L234 WeakPolarHBondContact O-CG 3.5Å; I230-L234 PolarHBondContact O-N 2.96Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 3.49Å; L234-I237 PolarHBondContact O-N 3.38Å; L234-W238 WeakPolarHBondContact O-CB 3.26Å; L234-W238 PolarHBondContact O-N 2.92Å
235K29.4Very low29.8Very low142 Ų142104.3 Ų104.362%0.61750%0.498SS*.Hα-helixtrans-62.7-37.8169.9-83.8-178.1176.7178.20112.3Q231 M233 Q239Q231-K235 PolarHBondContact O-N 3.34Å; M233-K235 VanDerWaalsContact C-N 3.34Å; M233-K235 PolarHBondContact O-N 3.35Å; K235-Q239 VanDerWaalsContact O-CB 3.3Å; K235-Q239 WeakPolarHBondContact O-CB 3.39Å; K235-Q239 WeakPolarHBondContact O-CG 3.44Å; K235-Q239 PolarHBondContact O-N 3.47Å
236K29Very low29.6Very low137 Ų137103 Ų10360%0.59648%0.476SS*.Hα-helixtrans-69.8-41.1175.7-77.7-176.1174.6-177.10112.6H232 M233 L234 Q239 W240H232-K236 PolarHBondContact O-N 3.03Å; M233-K236 CarbonylContact O-C 3.6Å; M233-K236 WeakPolarHBondContact O-CA 3.49Å; M233-K236 WeakPolarHBondContact O-CB 3.31Å; M233-K236 PolarHBondContact O-N 3.02Å; M233-K236 VanDerWaalsContact O-N 3.08Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 3.49Å; K236-Q239 PolarHBondContact O-N 3.4Å; K236-W240 WeakPolarHBondContact O-CB 3.21Å; K236-W240 PolarHBondContact O-N 2.88Å
237I34.1Very low29.3Very low47 Ų47103.5 Ų103.524%0.24149%0.488CS..Hα-helixtrans-69.6-38.4175.4-67.6166.7000111.1V215 M233 L234 W240 T241V215-I237 HydrophobicContact CG2-CG2 4.1Å; M233-I237 WeakPolarHBondContact O-CG1 3.37Å; M233-I237 PolarHBondContact O-N 3.3Å; L234-I237 PolarHBondContact O-N 3.38Å; I237-W240 WeakPolarHBondContact O-CB 3.2Å; I237-W240 PolarHBondContact O-N 3.49Å; I237-T241 WeakPolarHBondContact O-CG2 3.48Å; I237-T241 PolarHBondContact O-N 3.09Å; I237-T241 PolarHBondContact O-OG1 3.38Å
238W31.1Very low29Very low166 Ų166107.8 Ų107.863%0.62950%0.496SS*.Hα-helixtrans-66.8-41.3173.4-17486.4000111.6L234 W240 T241 S242L234-W238 WeakPolarHBondContact O-CB 3.26Å; L234-W238 PolarHBondContact O-N 2.92Å; W238-W240 VanDerWaalsContact C-N 3.28Å; W238-W240 PolarHBondContact O-N 3.06Å; W238-T241 WeakPolarHBondContact CA-OG1 3.29Å; W238-T241 PolarHBondContact O-N 3.25Å; W238-T241 PolarHBondContact O-OG1 3.23Å; W238-S242 WeakPolarHBondContact O-CB 3.47Å; W238-S242 PolarHBondContact O-N 2.94Å; W238-S242 PolarHBondContact O-OG 3.01Å
239Q28.3Very low28.6Very low118 Ų118106.4 Ų106.455%0.55150%0.497SS*.Hα-helixtrans-62.9-33.1170.9-84.4175.4-23.400112.6K235 K236K235-Q239 VanDerWaalsContact O-CB 3.3Å; K235-Q239 WeakPolarHBondContact O-CB 3.39Å; K235-Q239 WeakPolarHBondContact O-CG 3.44Å; K235-Q239 PolarHBondContact O-N 3.47Å; K236-Q239 PolarHBondContact O-N 3.4Å
240W30.6Very low28.7Very low200 Ų200111.8 Ų111.876%0.75854%0.538SS*.Hα-helixtrans-71.7-36176.4-167.179.4000112.5K236 I237 W238K236-W240 WeakPolarHBondContact O-CB 3.21Å; K236-W240 PolarHBondContact O-N 2.88Å; I237-W240 WeakPolarHBondContact O-CB 3.2Å; I237-W240 PolarHBondContact O-N 3.49Å; W238-W240 VanDerWaalsContact C-N 3.28Å; W238-W240 PolarHBondContact O-N 3.06Å
241T30.4Very low28.6Very low21 Ų21115.7 Ų115.713%0.12956%0.556CS.*Hα-helixtrans-90.8-27.3-176.650.50000114.6Y206 V215 I237 W238 N243Y206-T241 HydrophobicContact CE1-CG2 4.29Å; V215-T241 HydrophobicContact CG2-CG2 3.9Å; I237-T241 WeakPolarHBondContact O-CG2 3.48Å; I237-T241 PolarHBondContact O-N 3.09Å; I237-T241 PolarHBondContact O-OG1 3.38Å; W238-T241 WeakPolarHBondContact CA-OG1 3.29Å; W238-T241 PolarHBondContact O-N 3.25Å; W238-T241 PolarHBondContact O-OG1 3.23Å; T241-N243 VanDerWaalsContact C-N 3.35Å; T241-N243 PolarHBondContact O-N 3.48Å
242S28Very low28.7Very low59 Ų59115.1 Ų115.141%0.41355%0.554SS.*Hα-helixtrans-76-13.6-177.1520000115.2W238W238-S242 WeakPolarHBondContact O-CB 3.47Å; W238-S242 PolarHBondContact O-N 2.94Å; W238-S242 PolarHBondContact O-OG 3.01Å
243N26.5Very low28.7Very low68 Ų68114.5 Ų114.536%0.36455%0.553SS.*THydrogen-bonded Turntrans-91.66.7179.3-77.2-22.5000114.7H27 T241 K245H27-N243 PolarHBondContact CE1-OD1 2.84Å; H27-N243 PolarHBondContact ND1-ND2 2.8Å; H27-N243 PolarHBondContact ND1-OD1 2.83Å; T241-N243 VanDerWaalsContact C-N 3.35Å; T241-N243 PolarHBondContact O-N 3.48Å; N243-K245 PolarHBondContact O-N 3.38Å
244V32.4Very low28.6Very low58 Ų58117.5 Ų117.535%0.35257%0.567SS.*  trans-88.488179.7-1730000110.2M32 Y246M32-V244 HydrophobicContact CG-CG1 4.49Å; M32-V244 HydrophobicContact SD-CG1 3.99Å; V244-Y246 HydrophobicContact CG1-CD2 4.2Å; V244-Y246 HydrophobicContact CG1-CE2 3.66Å
245K25.2Very low28.3Very low170 Ų170121.8 Ų121.874%0.73959%0.586SS**  trans-96.8116162.5-80.6-175.6-179.5177.10109.2N243N243-K245 PolarHBondContact O-N 3.38Å
246Y29.9Very low28.3Very low86 Ų86120.4 Ų120.434%0.33758%0.584SS.*  trans-75127171-67.3-87000110.2M32 V244 F248M32-Y246 HydrophobicContact SD-CD1 4.33Å; V244-Y246 HydrophobicContact CG1-CD2 4.2Å; V244-Y246 HydrophobicContact CG1-CE2 3.66Å; Y246-F248 AromaticContact CD1-CE2 3.79Å; Y246-F248 HydrophobicContact CD1-CE2 3.79Å; Y246-F248 HydrophobicContact CD1-CZ 4.13Å; Y246-F248 AromaticContact CG-CE2 3.87Å; Y246-F248 HydrophobicContact CG-CE2 3.87Å
247V22.1Very low28.2Very low124 Ų124119.2 Ų119.275%0.75258%0.583SS**  trans-105.5110.4158.3178.40000106.3
248F26.5Very low27.8Very low176 Ų176124.8 Ų124.877%0.77261%0.609SS**  trans-96.7118.8166.4-74.6-90.1000106.4Y246Y246-F248 AromaticContact CD1-CE2 3.79Å; Y246-F248 HydrophobicContact CD1-CE2 3.79Å; Y246-F248 HydrophobicContact CD1-CZ 4.13Å; Y246-F248 AromaticContact CG-CE2 3.87Å; Y246-F248 HydrophobicContact CG-CE2 3.87Å
249Q19.1Very low27.5Very low174 Ų174121.3 Ų121.381%0.81361%0.608SS**  trans-93.8147.2163.3-87.3-168.5-17.200109.1
250P30.8Very low27.4Very low202 Ų202121.6 Ų121.6100%1.31261%0.613SS**  trans-65.30-154.725.5-35.3000115.3

Retrieved 250 of 250 residues in 69.8 ms (Link to these results)

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