Q99PU2_MOUSE Loading...

Kinesin superfamily protein 26B

AlphaFold DB , UniProt , Accession Q99PU2, Species MOUSE (Mus musculus, Mouse), Gene KIF26B, Length 130 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
1P44.3Very low69Low136 Ų13692.5 Ų92.588%0.88355%0.553SS**  0124020.2-0.7000111.5
2A43.9Very low70.2Confident83 Ų8385.9 Ų85.969%0.68652%0.519SS*.  trans-66.7144.1179.400000111.2T4A2-T4 PolarHBondContact O-N 2.82Å
3P56.7Low70.8Confident129 Ų12990.8 Ų90.884%0.83852%0.522SS*.  trans-62113.8176.824.5-31.7000109.4G5P3-G5 PolarHBondContact O-N 3.17Å
4T60.8Low71.1Confident101 Ų10195.6 Ų95.662%0.6255%0.545SS*.  trans-68.424.7-172.847.60000116.1A2 K6A2-T4 PolarHBondContact O-N 2.82Å; T4-K6 PolarHBondContact O-N 2.91Å; T4-K6 WeakPolarHBondContact OG1-CE 3.23Å; T4-K6 WeakPolarHBondContact OG1-CG 3.32Å; T4-K6 PolarHBondContact OG1-NZ 2.66Å
5G68.1Low71.5Confident35 Ų3595.9 Ų95.936%0.36154%0.544SS..SBendtrans62.11.5172.700000116.8P3 S7 Y8 T9P3-G5 PolarHBondContact O-N 3.17Å; G5-S7 PolarHBondContact O-N 3.02Å; G5-Y8 WeakPolarHBondContact O-CA 3.28Å; G5-Y8 WeakPolarHBondContact O-CB 3.39Å; G5-Y8 PolarHBondContact O-N 3.45Å; G5-T9 PolarHBondContact O-N 2.88Å; G5-T9 PolarHBondContact O-OG1 3.39Å
6K77.3Confident71.5Confident141 Ų14192.6 Ų92.661%0.61353%0.53SS*.Hα-helixtrans-54.5-48.2-171.2-49.4-173.5-159.8-57.90112.4T4 Y8 T9 M10T4-K6 PolarHBondContact O-N 2.91Å; T4-K6 WeakPolarHBondContact OG1-CE 3.23Å; T4-K6 WeakPolarHBondContact OG1-CG 3.32Å; T4-K6 PolarHBondContact OG1-NZ 2.66Å; K6-Y8 VanDerWaalsContact C-N 3.35Å; K6-Y8 PolarHBondContact O-N 2.82Å; K6-T9 PolarHBondContact O-N 3.24Å; K6-M10 WeakPolarHBondContact O-CG 3.29Å; K6-M10 PolarHBondContact O-N 3.42Å; K6-M10 VanDerWaalsContact O-N 3.08Å
7S77.9Confident71.4Confident69 Ų6997.2 Ų97.248%0.48355%0.548SS..Hα-helixtrans-66.6-36.3178.1-49.50000112.2G5 M10 I11G5-S7 PolarHBondContact O-N 3.02Å; S7-M10 PolarHBondContact O-N 3.46Å; S7-I11 WeakPolarHBondContact O-CB 3.43Å; S7-I11 PolarHBondContact O-N 3.01Å
8Y78.8Confident71.2Confident104 Ų104102.1 Ų102.141%0.40857%0.565SS.*Hα-helixtrans-65.2-41.3176.7-178-95.8000111.4G5 K6 G12 R13 N19G5-Y8 WeakPolarHBondContact O-CA 3.28Å; G5-Y8 WeakPolarHBondContact O-CB 3.39Å; G5-Y8 PolarHBondContact O-N 3.45Å; K6-Y8 VanDerWaalsContact C-N 3.35Å; K6-Y8 PolarHBondContact O-N 2.82Å; Y8-G12 WeakPolarHBondContact O-CA 3.44Å; Y8-G12 PolarHBondContact O-N 3.14Å; Y8-R13 HydrophobicContact CD2-CG 4.33Å; Y8-R13 HydrophobicContact CE2-CG 3.96Å; Y8-N19 PolarHBondContact OH-OD1 2.87Å
9T82.3Confident71.6Confident84 Ų8498.9 Ų98.952%0.51555%0.548SS..Hα-helixtrans-66.4-42.2175.4-55.20000112G5 K6 G21 I22G5-T9 PolarHBondContact O-N 2.88Å; G5-T9 PolarHBondContact O-OG1 3.39Å; K6-T9 PolarHBondContact O-N 3.24Å; T9-G21 WeakPolarHBondContact O-CA 3.36Å; T9-I22 HydrophobicContact CG2-CG1 4.28Å; T9-I22 WeakPolarHBondContact O-CG1 3.43Å; T9-I22 PolarHBondContact O-N 3.16Å
10M85.8Confident72Confident90 Ų9097.7 Ų97.744%0.44354%0.539SS..Hα-helixtrans-77.4-43.4-174.3-66.8-59.2-69.800113.3K6 S7 G21 I22 I23K6-M10 WeakPolarHBondContact O-CG 3.29Å; K6-M10 PolarHBondContact O-N 3.42Å; K6-M10 VanDerWaalsContact O-N 3.08Å; S7-M10 PolarHBondContact O-N 3.46Å; M10-G21 CarbonylContact O-C 3.57Å; M10-I22 PolarHBondContact O-N 2.87Å; M10-I22 VanDerWaalsContact O-N 3.15Å; M10-I23 HydrophobicContact CB-CD1 4.03Å; M10-I23 HydrophobicContact CB-CG1 4.37Å; M10-I23 HydrophobicContact CE-CD1 4.05Å; M10-I23 HydrophobicContact CE-CG1 3.89Å; M10-I23 WeakPolarHBondContact O-CB 3.42Å; M10-I23 VanDerWaalsContact O-CG1 3.3Å; M10-I23 WeakPolarHBondContact O-CG1 3.42Å; M10-I23 PolarHBondContact O-N 3.43Å
11I83.4Confident72.7Confident45 Ų4593.1 Ų93.123%0.23152%0.515CS..THydrogen-bonded Turntrans-100.6-41.7-174.2-61163.3000110.6S7 G21 P24 I99S7-I11 WeakPolarHBondContact O-CB 3.43Å; S7-I11 PolarHBondContact O-N 3.01Å; I11-G21 VanDerWaalsContact C-CA 3.43Å; I11-G21 VanDerWaalsContact O-CA 3.3Å; I11-G21 WeakPolarHBondContact O-CA 3.38Å; I11-G21 PolarHBondContact O-N 2.97Å; I11-P24 WeakPolarHBondContact O-CG 3.24Å; I11-I99 HydrophobicContact CB-CD1 4.37Å; I11-I99 HydrophobicContact CD1-CD1 3.74Å; I11-I99 HydrophobicContact CD1-CG1 3.82Å; I11-I99 HydrophobicContact CG1-CD1 3.92Å; I11-I99 HydrophobicContact CG1-CG1 4.44Å; I11-I99 HydrophobicContact CG2-CD1 3.53Å
12G83.8Confident74.8Confident14 Ų1491.5 Ų91.514%0.14450%0.498CS..BIsolated β-bridgetrans79.6-157.1-177.600000113.8Y8 N19Y8-G12 WeakPolarHBondContact O-CA 3.44Å; Y8-G12 PolarHBondContact O-N 3.14Å; G12-N19 CarbonylContact C-O 3.43Å; G12-N19 WeakPolarHBondContact CA-O 3.42Å
13R77.3Confident77.1Confident150 Ų15088.9 Ų88.957%0.56647%0.472SS*.  trans-132.6153.5169.1-70.6-177.7-178.9160.8-0.6109.3Y8 D15 N19Y8-R13 HydrophobicContact CD2-CG 4.33Å; Y8-R13 HydrophobicContact CE2-CG 3.96Å; R13-D15 VanDerWaalsContact C-N 3.33Å; R13-D15 VanDerWaalsContact CB-OD1 3.23Å; R13-D15 WeakPolarHBondContact CB-OD1 3.27Å; R13-N19 HydrophobicContact CB-CB 4.21Å; R13-N19 PolarHBondContact N-O 3.28Å; R13-N19 CarbonylContact O-C 3.35Å
14D75.6Confident78.7Confident157 Ų15784.2 Ų84.284%0.8444%0.442SS*.SBendtrans-88.10.4179.764.9-25000113.3S16D14-S16 VanDerWaalsContact C-N 3.31Å; D14-S16 PolarHBondContact O-N 2.96Å
15D77.4Confident80.1Confident100 Ų10081.7 Ų81.754%0.53543%0.428SS..SBendtrans-68.1-26-178.361.9-14.7000113.7R13 N19R13-D15 VanDerWaalsContact C-N 3.33Å; R13-D15 VanDerWaalsContact CB-OD1 3.23Å; R13-D15 WeakPolarHBondContact CB-OD1 3.27Å; D15-N19 VanDerWaalsContact CG-ND2 3.27Å; D15-N19 WeakPolarHBondContact OD1-CB 3.44Å; D15-N19 PolarHBondContact OD1-ND2 3.05Å; D15-N19 PolarHBondContact OD2-ND2 2.78Å
16S71.6Confident81.2Confident44 Ų4482.7 Ų82.731%0.30843%0.432SS..  trans-155.1156.1171.678.70000112.5D14 Q18 N19 L20D14-S16 VanDerWaalsContact C-N 3.31Å; D14-S16 PolarHBondContact O-N 2.96Å; S16-Q18 PolarHBondContact O-N 2.74Å; S16-Q18 VanDerWaalsContact O-N 3.11Å; S16-Q18 PolarHBondContact OG-N 2.95Å; S16-N19 PolarHBondContact O-N 2.88Å; S16-N19 VanDerWaalsContact OG-CG 3.28Å; S16-N19 PolarHBondContact OG-N 2.89Å; S16-N19 PolarHBondContact OG-ND2 3.02Å; S16-L20 PolarHBondContact O-N 3.06Å
17M68.3Low81.9Confident171 Ų17176.2 Ų76.284%0.84241%0.405SS*.THydrogen-bonded Turntrans-60-23.5174.4-63.7-17596.300113.2N19 L20M17-N19 VanDerWaalsContact C-N 3.29Å; M17-L20 HydrophobicContact CB-CD1 4.4Å
18Q68Low82.5Confident184 Ų18476.4 Ų76.486%0.8641%0.406SS*.THydrogen-bonded Turntrans-78.3-17178.4-60.7-177.729.900112.6S16S16-Q18 PolarHBondContact O-N 2.74Å; S16-Q18 VanDerWaalsContact O-N 3.11Å; S16-Q18 PolarHBondContact OG-N 2.95Å
19N79.2Confident83.2Confident43 Ų4379.2 Ų79.223%0.2342%0.416CS..SBendtrans-101.9-0.9-179.6-64.3-27.2000112.7Y8 G12 R13 D15 S16 M17 G21Y8-N19 PolarHBondContact OH-OD1 2.87Å; G12-N19 CarbonylContact C-O 3.43Å; G12-N19 WeakPolarHBondContact CA-O 3.42Å; R13-N19 HydrophobicContact CB-CB 4.21Å; R13-N19 PolarHBondContact N-O 3.28Å; R13-N19 CarbonylContact O-C 3.35Å; D15-N19 VanDerWaalsContact CG-ND2 3.27Å; D15-N19 WeakPolarHBondContact OD1-CB 3.44Å; D15-N19 PolarHBondContact OD1-ND2 3.05Å; D15-N19 PolarHBondContact OD2-ND2 2.78Å; S16-N19 PolarHBondContact O-N 2.88Å; S16-N19 VanDerWaalsContact OG-CG 3.28Å; S16-N19 PolarHBondContact OG-N 2.89Å; S16-N19 PolarHBondContact OG-ND2 3.02Å; M17-N19 VanDerWaalsContact C-N 3.29Å; N19-G21 PolarHBondContact O-N 3.44Å
20L79.2Confident83.8Confident73 Ų7377.2 Ų77.238%0.38240%0.402SS..BIsolated β-bridgetrans-59.7130.7173.2-76.5166.8000110.1S16 M17 P24S16-L20 PolarHBondContact O-N 3.06Å; M17-L20 HydrophobicContact CB-CD1 4.4Å; L20-P24 HydrophobicContact CD2-CB 4.3Å; L20-P24 HydrophobicContact CD2-CG 4.22Å
21G86.8Confident84.1Confident3 Ų373.8 Ų73.83%0.03138%0.384CS..  trans-72.7173.1-179.900000113.1T9 M10 I11 N19 I23 P24 C25T9-G21 WeakPolarHBondContact O-CA 3.36Å; M10-G21 CarbonylContact O-C 3.57Å; I11-G21 VanDerWaalsContact C-CA 3.43Å; I11-G21 VanDerWaalsContact O-CA 3.3Å; I11-G21 WeakPolarHBondContact O-CA 3.38Å; I11-G21 PolarHBondContact O-N 2.97Å; N19-G21 PolarHBondContact O-N 3.44Å; G21-I23 VanDerWaalsContact C-N 3.3Å; G21-I23 PolarHBondContact O-N 2.93Å; G21-P24 VanDerWaalsContact O-CD 3.29Å; G21-P24 WeakPolarHBondContact O-CD 3.44Å; G21-P24 WeakPolarHBondContact O-CG 3.31Å; G21-C25 WeakPolarHBondContact O-CB 3.22Å; G21-C25 PolarHBondContact O-N 3.2Å; G21-C25 PolarHBondContact O-SG 2.87Å
22I89.9Confident84.5Confident102 Ų10277 Ų7752%0.52340%0.397SS..Hα-helixtrans-59.7-39.3178.5-59.9-57.6000112.1T9 M10 A26T9-I22 HydrophobicContact CG2-CG1 4.28Å; T9-I22 WeakPolarHBondContact O-CG1 3.43Å; T9-I22 PolarHBondContact O-N 3.16Å; M10-I22 PolarHBondContact O-N 2.87Å; M10-I22 VanDerWaalsContact O-N 3.15Å; I22-A26 VanDerWaalsContact O-CB 3.23Å; I22-A26 WeakPolarHBondContact O-CB 3.45Å; I22-A26 PolarHBondContact O-N 3.44Å
23I91.1Very high84.9Confident28 Ų2880.6 Ų80.614%0.14441%0.412CS..Hα-helixtrans-65.9-56.4-177.3-58.1172000112M10 G21 C25 A26 I27 L95 F121M10-I23 HydrophobicContact CB-CD1 4.03Å; M10-I23 HydrophobicContact CB-CG1 4.37Å; M10-I23 HydrophobicContact CE-CD1 4.05Å; M10-I23 HydrophobicContact CE-CG1 3.89Å; M10-I23 WeakPolarHBondContact O-CB 3.42Å; M10-I23 VanDerWaalsContact O-CG1 3.3Å; M10-I23 WeakPolarHBondContact O-CG1 3.42Å; M10-I23 PolarHBondContact O-N 3.43Å; G21-I23 VanDerWaalsContact C-N 3.3Å; G21-I23 PolarHBondContact O-N 2.93Å; I23-C25 VanDerWaalsContact C-N 3.25Å; I23-C25 PolarHBondContact O-N 2.82Å; I23-A26 PolarHBondContact O-N 3.01Å; I23-A26 VanDerWaalsContact O-N 3.1Å; I23-I27 HydrophobicContact CG2-CD1 4Å; I23-I27 HydrophobicContact CG2-CG1 4.47Å; I23-I27 WeakPolarHBondContact O-CG1 3.5Å; I23-I27 PolarHBondContact O-N 3.43Å; I23-L95 HydrophobicContact CB-CD2 4.15Å; I23-L95 HydrophobicContact CD1-CD1 4.44Å; I23-L95 HydrophobicContact CG2-CD1 3.9Å; I23-L95 HydrophobicContact CG2-CD2 3.58Å; I23-L95 HydrophobicContact CG2-CG 4.37Å; I23-F121 HydrophobicContact CG2-CD1 4.15Å
24P89.7Confident85.6Confident31 Ų3174.2 Ų74.220%0.20139%0.389CS..Hα-helixtrans-60.8-35.7178.922.3-32.8000112.2I11 L20 G21 I27 S28I11-P24 WeakPolarHBondContact O-CG 3.24Å; L20-P24 HydrophobicContact CD2-CB 4.3Å; L20-P24 HydrophobicContact CD2-CG 4.22Å; G21-P24 VanDerWaalsContact O-CD 3.29Å; G21-P24 WeakPolarHBondContact O-CD 3.44Å; G21-P24 WeakPolarHBondContact O-CG 3.31Å; P24-I27 PolarHBondContact O-N 3.07Å; P24-S28 PolarHBondContact O-N 2.87Å
25C90.1Very high86.3Confident48 Ų4870.2 Ų70.232%0.32437%0.368SS..Hα-helixtrans-61.4-47.8172.4-69.40000112.1G21 I23 I27 S28 W29G21-C25 WeakPolarHBondContact O-CB 3.22Å; G21-C25 PolarHBondContact O-N 3.2Å; G21-C25 PolarHBondContact O-SG 2.87Å; I23-C25 VanDerWaalsContact C-N 3.25Å; I23-C25 PolarHBondContact O-N 2.82Å; C25-I27 VanDerWaalsContact C-N 3.34Å; C25-I27 PolarHBondContact O-N 3.3Å; C25-S28 PolarHBondContact O-N 3.45Å; C25-W29 VanDerWaalsContact O-CD1 3.3Å; C25-W29 PolarHBondContact O-N 2.86Å
26A92.6Very high87Confident55 Ų5568.5 Ų68.546%0.45536%0.356SS..Hα-helixtrans-63.8-37.8-179.400000112.4I22 I23 L30I22-A26 VanDerWaalsContact O-CB 3.23Å; I22-A26 WeakPolarHBondContact O-CB 3.45Å; I22-A26 PolarHBondContact O-N 3.44Å; I23-A26 PolarHBondContact O-N 3.01Å; I23-A26 VanDerWaalsContact O-N 3.1Å; A26-L30 VanDerWaalsContact O-CB 3.22Å; A26-L30 WeakPolarHBondContact O-CB 3.28Å; A26-L30 PolarHBondContact O-N 2.94Å
27I92Very high87.9Confident6 Ų673.9 Ų73.93%0.03137%0.37CS..Hα-helixtrans-59-52.3174.4-70.2171.1000110.1I23 P24 C25 W29 L30 F31 A91 L95 F121 L123I23-I27 HydrophobicContact CG2-CD1 4Å; I23-I27 HydrophobicContact CG2-CG1 4.47Å; I23-I27 WeakPolarHBondContact O-CG1 3.5Å; I23-I27 PolarHBondContact O-N 3.43Å; P24-I27 PolarHBondContact O-N 3.07Å; C25-I27 VanDerWaalsContact C-N 3.34Å; C25-I27 PolarHBondContact O-N 3.3Å; I27-W29 PolarHBondContact O-N 3.29Å; I27-L30 PolarHBondContact O-N 3.4Å; I27-F31 HydrophobicContact CG2-CD2 3.86Å; I27-F31 HydrophobicContact CG2-CE2 3.94Å; I27-F31 VanDerWaalsContact O-CD2 3.28Å; I27-F31 WeakPolarHBondContact O-CD2 3.43Å; I27-F31 PolarHBondContact O-N 3.33Å; I27-A91 HydrophobicContact CD1-CB 4.42Å; I27-A91 HydrophobicContact CG2-CB 3.68Å; I27-L95 HydrophobicContact CD1-CD2 4.24Å; I27-F121 HydrophobicContact CD1-CE1 3.98Å; I27-L123 HydrophobicContact CG1-CD1 4.48Å; I27-L123 HydrophobicContact CG1-CD2 4.28Å
28S90.6Very high88.8Confident73 Ų7370.2 Ų70.251%0.5135%0.349SS..Hα-helixtrans-58.6-48.11801800000112P24 C25 L30 F31 K32P24-S28 PolarHBondContact O-N 2.87Å; C25-S28 PolarHBondContact O-N 3.45Å; S28-L30 PolarHBondContact O-N 2.81Å; S28-F31 PolarHBondContact O-N 3.42Å; S28-K32 WeakPolarHBondContact O-CB 3.32Å; S28-K32 PolarHBondContact O-N 2.97Å; S28-K32 VanDerWaalsContact O-N 3.07Å
29W93.4Very high89.8Confident162 Ų16268.2 Ų68.261%0.61434%0.34SS*.Hα-helixtrans-61.5-41.6176.9-87.795.7000112.8C25 I27 K32 L33C25-W29 VanDerWaalsContact O-CD1 3.3Å; C25-W29 PolarHBondContact O-N 2.86Å; I27-W29 PolarHBondContact O-N 3.29Å; W29-K32 PolarHBondContact O-N 3.41Å; W29-L33 WeakPolarHBondContact O-CG 3.32Å; W29-L33 PolarHBondContact O-N 2.85Å
30L94.3Very high90.4Very high42 Ų4273.7 Ų73.722%0.2236%0.362CS..Hα-helixtrans-61.6-49.7179.3175.466.2000111.4A26 I27 S28 K32 L33 I34 L123 I125A26-L30 VanDerWaalsContact O-CB 3.22Å; A26-L30 WeakPolarHBondContact O-CB 3.28Å; A26-L30 PolarHBondContact O-N 2.94Å; I27-L30 PolarHBondContact O-N 3.4Å; S28-L30 PolarHBondContact O-N 2.81Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 3.48Å; L30-L33 PolarHBondContact O-N 2.93Å; L30-L33 VanDerWaalsContact O-N 3.16Å; L30-I34 HydrophobicContact CD1-CD1 4.06Å; L30-I34 HydrophobicContact CD1-CG1 4.28Å; L30-I34 HydrophobicContact CD2-CD1 4.4Å; L30-I34 HydrophobicContact CG-CD1 3.88Å; L30-I34 HydrophobicContact CG-CG1 4.46Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 2.84Å; L30-L123 HydrophobicContact CD2-CB 4.38Å; L30-L123 HydrophobicContact CD2-CD2 3.61Å; L30-I125 HydrophobicContact CD1-CD1 3.54Å; L30-I125 HydrophobicContact CD2-CD1 3.84Å; L30-I125 HydrophobicContact CD2-CG1 4.27Å; L30-I125 HydrophobicContact CG-CD1 4.27Å
31F91.8Very high90.9Very high19 Ų1974.2 Ų74.28%0.08337%0.368CS..Hα-helixtrans-66.9-34-178.6-80.3-71.4000112.4I27 S28 I34 N35 V47 L83 P87 A88 A91 L123I27-F31 HydrophobicContact CG2-CD2 3.86Å; I27-F31 HydrophobicContact CG2-CE2 3.94Å; I27-F31 VanDerWaalsContact O-CD2 3.28Å; I27-F31 WeakPolarHBondContact O-CD2 3.43Å; I27-F31 PolarHBondContact O-N 3.33Å; S28-F31 PolarHBondContact O-N 3.42Å; F31-I34 HydrophobicContact CD1-CD1 4.39Å; F31-I34 PolarHBondContact O-N 2.97Å; F31-N35 WeakPolarHBondContact O-CB 3.47Å; F31-N35 PolarHBondContact O-N 3.23Å; F31-V47 HydrophobicContact CE1-CB 4.28Å; F31-V47 HydrophobicContact CE1-CG2 3.92Å; F31-V47 HydrophobicContact CZ-CB 4.23Å; F31-V47 HydrophobicContact CZ-CG1 4.01Å; F31-V47 HydrophobicContact CZ-CG2 4.25Å; F31-L83 HydrophobicContact CE1-CD1 4.13Å; F31-L83 HydrophobicContact CZ-CD1 3.92Å; F31-P87 HydrophobicContact CD1-CB 3.78Å; F31-P87 HydrophobicContact CD1-CG 3.79Å; F31-P87 HydrophobicContact CE1-CB 3.52Å; F31-P87 HydrophobicContact CE1-CG 4.06Å; F31-P87 WeakPolarHBondContact CE2-O 3.28Å; F31-P87 HydrophobicContact CZ-CB 4.13Å; F31-P87 VanDerWaalsContact CZ-O 3.27Å; F31-P87 WeakPolarHBondContact CZ-O 3.44Å; F31-A88 HydrophobicContact CB-CB 3.96Å; F31-A88 VanDerWaalsContact CD2-CA 3.47Å; F31-A88 HydrophobicContact CD2-CB 3.78Å; F31-A88 HydrophobicContact CG-CB 4.02Å; F31-A91 HydrophobicContact CE2-CB 3.66Å; F31-A91 HydrophobicContact CZ-CB 4.23Å; F31-L123 HydrophobicContact CE2-CD2 4.29Å
32K92.2Very high90.8Very high112 Ų11276.9 Ų76.949%0.48740%0.395SS..Hα-helixtrans-57.7-50.3168.9-176.8-178.6176.2-178.30111.4S28 W29 L30 I34 N35 E36S28-K32 WeakPolarHBondContact O-CB 3.32Å; S28-K32 PolarHBondContact O-N 2.97Å; S28-K32 VanDerWaalsContact O-N 3.07Å; W29-K32 PolarHBondContact O-N 3.41Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 3.48Å; K32-I34 PolarHBondContact O-N 3.22Å; K32-N35 PolarHBondContact O-N 2.88Å; K32-E36 VanDerWaalsContact CE-OE1 3.28Å; K32-E36 WeakPolarHBondContact CE-OE1 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.27Å; K32-E36 PolarHBondContact O-N 2.97Å
33L92.8Very high90.7Very high89 Ų8972.7 Ų72.747%0.46638%0.376SS..Hα-helixtrans-64.1-38.9179.4-71.1173.3000112.8W29 L30 N35 R37W29-L33 WeakPolarHBondContact O-CG 3.32Å; W29-L33 PolarHBondContact O-N 2.85Å; L30-L33 PolarHBondContact O-N 2.93Å; L30-L33 VanDerWaalsContact O-N 3.16Å; L33-N35 VanDerWaalsContact C-N 3.34Å; L33-R37 WeakPolarHBondContact O-CB 3.34Å; L33-R37 VanDerWaalsContact O-CG 3.24Å; L33-R37 WeakPolarHBondContact O-CG 3.38Å; L33-R37 PolarHBondContact O-N 2.85Å
34I91.7Very high90.5Very high17 Ų1779.2 Ų79.29%0.08740%0.399CS..Hα-helixtrans-61-46.1174-71.6171.6000109.7L30 F31 K32 R37 K38 F45 V47 I125L30-I34 HydrophobicContact CD1-CD1 4.06Å; L30-I34 HydrophobicContact CD1-CG1 4.28Å; L30-I34 HydrophobicContact CD2-CD1 4.4Å; L30-I34 HydrophobicContact CG-CD1 3.88Å; L30-I34 HydrophobicContact CG-CG1 4.46Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 2.84Å; F31-I34 HydrophobicContact CD1-CD1 4.39Å; F31-I34 PolarHBondContact O-N 2.97Å; K32-I34 PolarHBondContact O-N 3.22Å; I34-R37 PolarHBondContact O-N 2.82Å; I34-K38 HydrophobicContact CG2-CD 3.92Å; I34-K38 HydrophobicContact CG2-CG 4.34Å; I34-K38 VanDerWaalsContact O-CG 3.29Å; I34-K38 WeakPolarHBondContact O-CG 3.3Å; I34-K38 PolarHBondContact O-N 3.44Å; I34-F45 HydrophobicContact CG2-CB 3.86Å; I34-F45 HydrophobicContact CG2-CD1 4.45Å; I34-F45 HydrophobicContact CG2-CD2 3.9Å; I34-F45 HydrophobicContact CG2-CG 3.83Å; I34-V47 HydrophobicContact CD1-CG2 3.72Å; I34-I125 HydrophobicContact CD1-CG2 4.36Å
35N90.1Very high90.5Very high73 Ų7380 Ų8039%0.3940%0.399SS..Hα-helixtrans-64.4-45.6-179.3-163.658.5000112.1F31 K32 L33 R37 K38 E39F31-N35 WeakPolarHBondContact O-CB 3.47Å; F31-N35 PolarHBondContact O-N 3.23Å; K32-N35 PolarHBondContact O-N 2.88Å; L33-N35 VanDerWaalsContact C-N 3.34Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 3.49Å; N35-K38 WeakPolarHBondContact O-CB 3.28Å; N35-K38 PolarHBondContact O-N 2.86Å; N35-K38 VanDerWaalsContact O-N 3.14Å; N35-E39 PolarHBondContact ND2-OE1 3.35Å; N35-E39 WeakPolarHBondContact O-CG 3.26Å; N35-E39 PolarHBondContact O-N 3.3Å
36E91.7Very high90.3Very high63 Ų6378.8 Ų78.829%0.29439%0.391SS..Hα-helixtrans-58.1-38.5174.4-71.6179.9-161.500112.4K32 K40K32-E36 VanDerWaalsContact CE-OE1 3.28Å; K32-E36 WeakPolarHBondContact CE-OE1 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.27Å; K32-E36 PolarHBondContact O-N 2.97Å; E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 VanDerWaalsContact O-CG 3.27Å; E36-K40 WeakPolarHBondContact O-CG 3.44Å; E36-K40 PolarHBondContact O-N 3.45Å; E36-K40 IonicContact OE2-NZ 3.83Å
37R89.9Confident90.2Very high157 Ų15776.8 Ų76.859%0.59237%0.374SS*.Hα-helixtrans-69.7-40.9176.5-74.2-71.4-168.5177.92.6111.9L33 I34 N35 E39 K40 T41 F45L33-R37 WeakPolarHBondContact O-CB 3.34Å; L33-R37 VanDerWaalsContact O-CG 3.24Å; L33-R37 WeakPolarHBondContact O-CG 3.38Å; L33-R37 PolarHBondContact O-N 2.85Å; I34-R37 PolarHBondContact O-N 2.82Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 3.49Å; R37-E39 VanDerWaalsContact C-N 3.33Å; R37-K40 PolarHBondContact O-N 3.1Å; R37-T41 PolarHBondContact O-N 3.25Å; R37-T41 PolarHBondContact O-OG1 3.03Å; R37-F45 HydrophobicContact CB-CE2 3.96Å; R37-F45 HydrophobicContact CB-CZ 3.92Å
38K87.9Confident90.1Very high95 Ų9580.3 Ų80.341%0.41339%0.387SS..Hα-helixtrans-57.5-47.8174.6-73.2170.668.2-168.60110.5I34 N35 G42 A43 F45I34-K38 HydrophobicContact CG2-CD 3.92Å; I34-K38 HydrophobicContact CG2-CG 4.34Å; I34-K38 VanDerWaalsContact O-CG 3.29Å; I34-K38 WeakPolarHBondContact O-CG 3.3Å; I34-K38 PolarHBondContact O-N 3.44Å; N35-K38 WeakPolarHBondContact O-CB 3.28Å; N35-K38 PolarHBondContact O-N 2.86Å; N35-K38 VanDerWaalsContact O-N 3.14Å; K38-G42 VanDerWaalsContact O-CA 3.28Å; K38-G42 WeakPolarHBondContact O-CA 3.23Å; K38-G42 PolarHBondContact O-N 3.31Å; K38-A43 WeakPolarHBondContact CG-O 3.46Å; K38-F45 HydrophobicContact CD-CD2 4.22Å; K38-F45 HydrophobicContact CG-CD2 3.53Å; K38-F45 HydrophobicContact CG-CE2 3.94Å
39E89.6Confident90.1Very high142 Ų14278.4 Ų78.466%0.66437%0.37SS*.Hα-helixtrans-65.3-43.5-179.9-70.7171.5-174.900112.6N35 R37N35-E39 PolarHBondContact ND2-OE1 3.35Å; N35-E39 WeakPolarHBondContact O-CG 3.26Å; N35-E39 PolarHBondContact O-N 3.3Å; R37-E39 VanDerWaalsContact C-N 3.33Å
40K91.3Very high90.1Very high158 Ų15872.7 Ų72.769%0.68736%0.355SS*.Hα-helixtrans-73.9-34.2-177-73.9170.9-177164.60114.3E36 R37E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 VanDerWaalsContact O-CG 3.27Å; E36-K40 WeakPolarHBondContact O-CG 3.44Å; E36-K40 PolarHBondContact O-N 3.45Å; E36-K40 IonicContact OE2-NZ 3.83Å; R37-K40 PolarHBondContact O-N 3.1Å
41T89.3Confident90Very high83 Ų8370.7 Ų70.751%0.50934%0.344SS..Hα-helixtrans-119.7-9.5-167.564.90000114.2R37 A43R37-T41 PolarHBondContact O-N 3.25Å; R37-T41 PolarHBondContact O-OG1 3.03Å; T41-A43 PolarHBondContact O-N 3.18Å; T41-A43 VanDerWaalsContact OG1-CB 3.32Å; T41-A43 WeakPolarHBondContact OG1-CB 3.34Å; T41-A43 PolarHBondContact OG1-N 2.94Å
42G85.7Confident90.1Very high59 Ų5972 Ų7261%0.60835%0.354SS*.  trans66.47.7-171.700000114K38K38-G42 VanDerWaalsContact O-CA 3.28Å; K38-G42 WeakPolarHBondContact O-CA 3.23Å; K38-G42 PolarHBondContact O-N 3.31Å
43A87.1Confident90.1Very high15 Ų1566.7 Ų66.712%0.12433%0.331CS..  trans-64.2144.3179.500000111.3K38 T41 F45 Q127K38-A43 WeakPolarHBondContact CG-O 3.46Å; T41-A43 PolarHBondContact O-N 3.18Å; T41-A43 VanDerWaalsContact OG1-CB 3.32Å; T41-A43 WeakPolarHBondContact OG1-CB 3.34Å; T41-A43 PolarHBondContact OG1-N 2.94Å; A43-F45 HydrophobicContact CB-CE2 3.8Å; A43-F45 HydrophobicContact CB-CZ 4.26Å; A43-Q127 HydrophobicContact CB-CG 4.28Å
44R87Confident89.9Confident164 Ų16464.1 Ų64.162%0.61932%0.319SS*.EExtended strand (participates in β ladder)trans-98.1138.3174.9-62.1175.869.2167.32109.2Y128R44-Y128 HydrophobicContact CB-CD2 4.33Å; R44-Y128 PolarHBondContact O-N 3.21Å
45F88.8Confident89.6Confident47 Ų4765.5 Ų65.521%0.20632%0.323CS..EExtended strand (participates in β ladder)trans-122.1146.4177.5-66.5-95.4000110.6I34 R37 K38 A43 I125 Y126 Q127I34-F45 HydrophobicContact CG2-CB 3.86Å; I34-F45 HydrophobicContact CG2-CD1 4.45Å; I34-F45 HydrophobicContact CG2-CD2 3.9Å; I34-F45 HydrophobicContact CG2-CG 3.83Å; R37-F45 HydrophobicContact CB-CE2 3.96Å; R37-F45 HydrophobicContact CB-CZ 3.92Å; K38-F45 HydrophobicContact CD-CD2 4.22Å; K38-F45 HydrophobicContact CG-CD2 3.53Å; K38-F45 HydrophobicContact CG-CE2 3.94Å; A43-F45 HydrophobicContact CB-CE2 3.8Å; A43-F45 HydrophobicContact CB-CZ 4.26Å; F45-I125 HydrophobicContact CD1-CG2 4.03Å; F45-Y126 CarbonylContact C-O 3.59Å; F45-Y126 VanDerWaalsContact CA-O 3.23Å; F45-Y126 WeakPolarHBondContact CA-O 3.21Å; F45-Q127 HydrophobicContact CD1-CB 3.92Å; F45-Q127 HydrophobicContact CD1-CG 4.17Å; F45-Q127 HydrophobicContact CE1-CB 3.68Å; F45-Q127 HydrophobicContact CE1-CG 3.66Å; F45-Q127 HydrophobicContact CZ-CB 4.41Å; F45-Q127 HydrophobicContact CZ-CG 3.87Å
46S87.6Confident89.2Confident23 Ų2362.5 Ų62.516%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-125.3132.9165.2175.90000108Y126S46-Y126 PolarHBondContact N-O 3.04Å; S46-Y126 PolarHBondContact O-N 3.49Å
47V89.1Confident88.5Confident13 Ų1367.9 Ų67.98%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-116.5128.7177-1760000107.7F31 I34 L83 L123 H124F31-V47 HydrophobicContact CE1-CB 4.28Å; F31-V47 HydrophobicContact CE1-CG2 3.92Å; F31-V47 HydrophobicContact CZ-CB 4.23Å; F31-V47 HydrophobicContact CZ-CG1 4.01Å; F31-V47 HydrophobicContact CZ-CG2 4.25Å; I34-V47 HydrophobicContact CD1-CG2 3.72Å; V47-L83 HydrophobicContact CB-CD1 4.41Å; V47-L123 HydrophobicContact CG1-CB 4.34Å; V47-L123 HydrophobicContact CG1-CD2 4.35Å; V47-H124 CarbonylContact C-O 3.56Å; V47-H124 VanDerWaalsContact CA-O 3.31Å; V47-H124 WeakPolarHBondContact CA-O 3.23Å
48R90.6Very high88.2Confident81 Ų8168.2 Ų68.231%0.30634%0.34SS..EExtended strand (participates in β ladder)trans-116.6155.9171.4-58.1-175.9-177.8-174.8-0.2109.4L123 H124 Y126R48-L123 CarbonylContact O-C 3.49Å; R48-L123 WeakPolarHBondContact O-CA 3.02Å; R48-H124 HydrophobicContact CB-CB 4.25Å; R48-H124 PolarHBondContact N-O 2.81Å; R48-H124 PolarHBondContact O-N 3.39Å; R48-Y126 HydrophobicContact CB-CE2 4.49Å; R48-Y126 HydrophobicContact CG-CE2 4.12Å
49I90.9Very high88Confident33 Ų3370.9 Ų70.917%0.16935%0.354CS..EExtended strand (participates in β ladder)trans-127.1137.2-176.8-59174.7000108.5L65 A91 F94 F121 T122 L123I49-L65 HydrophobicContact CG2-CD1 3.96Å; I49-A91 HydrophobicContact CD1-CB 3.6Å; I49-F94 HydrophobicContact CD1-CB 4.21Å; I49-F94 HydrophobicContact CD1-CD2 3.83Å; I49-F94 HydrophobicContact CD1-CG 4.36Å; I49-F94 HydrophobicContact CG2-CB 4.19Å; I49-F121 HydrophobicContact CG2-CD2 4.44Å; I49-F121 HydrophobicContact CG2-CE1 4.21Å; I49-F121 HydrophobicContact CG2-CE2 3.61Å; I49-F121 HydrophobicContact CG2-CZ 3.48Å; I49-F121 VanDerWaalsContact CG2-CZ 3.48Å; I49-T122 WeakPolarHBondContact CA-O 3.43Å; I49-L123 HydrophobicContact CG1-CG 4.41Å
50S92.3Very high87.8Confident41 Ų4167.1 Ų67.129%0.28734%0.338SS..EExtended strand (participates in β ladder)trans-132.6140.6168.958.70000109T122 H124S50-T122 PolarHBondContact N-O 3.16Å; S50-T122 PolarHBondContact O-N 3.09Å; S50-H124 PolarHBondContact OG-NE2 2.75Å
51A93.7Very high87.7Confident0 Ų065.8 Ų65.80%034%0.338CS..EExtended strand (participates in β ladder)trans-134.6127.3172.400000110.5L64 L65 A98 M119 L120 F121A51-L64 HydrophobicContact CB-CB 4.09Å; A51-L64 HydrophobicContact CB-CD1 4.31Å; A51-L64 PolarHBondContact O-N 3.25Å; A51-L65 HydrophobicContact CB-CD1 4.03Å; A51-L65 HydrophobicContact CB-CD2 4.34Å; A51-L65 HydrophobicContact CB-CG 3.85Å; A51-A98 HydrophobicContact CB-CB 3.58Å; A51-M119 HydrophobicContact CB-CE 4.43Å; A51-L120 VanDerWaalsContact CA-O 3.26Å; A51-L120 WeakPolarHBondContact CA-O 3.28Å; A51-F121 HydrophobicContact CB-CD2 3.71Å; A51-F121 HydrophobicContact CB-CE2 4.27Å
52V92.9Very high87.7Confident48 Ų4865.6 Ų65.629%0.29133%0.328SS..EExtended strand (participates in β ladder)trans-131.5139-177.1179.10000109.2L61 R62 L120V52-L61 HydrophobicContact CG1-CB 4.4Å; V52-L61 HydrophobicContact CG1-CD2 4.12Å; V52-R62 CarbonylContact C-O 3.51Å; V52-R62 WeakPolarHBondContact CA-O 3.18Å; V52-R62 WeakPolarHBondContact CG1-O 3.46Å; V52-L120 PolarHBondContact N-O 3.4Å; V52-L120 PolarHBondContact O-N 3.42Å
53E91.5Very high88Confident0 Ų066.7 Ų66.70%032%0.32CS..EExtended strand (participates in β ladder)trans-101.6129.4168.2180170.4-125.800109.5L61 R62 L64 R102 R103 S117 H118E53-L61 WeakPolarHBondContact O-CA 3.25Å; E53-R62 PolarHBondContact N-O 3.43Å; E53-R62 PolarHBondContact O-N 3Å; E53-L64 HydrophobicContact CB-CD1 4.01Å; E53-L64 HydrophobicContact CB-CD2 3.81Å; E53-L64 HydrophobicContact CB-CG 3.97Å; E53-R102 IonicContact OE1-NE 3.52Å; E53-R102 IonicContact OE1-NH2 3.89Å; E53-R103 PolarHBondContact OE1-N 3.42Å; E53-R103 WeakPolarHBondContact OE2-CB 3.36Å; E53-R103 PolarHBondContact OE2-N 3.5Å; E53-S117 PolarHBondContact OE1-OG 2.85Å; E53-H118 WeakPolarHBondContact CA-O 3.42Å
54V90.3Very high88.3Confident34 Ų3466 Ų6621%0.20631%0.314CS..EExtended strand (participates in β ladder)trans-106.1129.3168.6-167.10000107.4E59 N60 L61 S117 H118 L120V54-E59 HydrophobicContact CG1-CB 4.1Å; V54-N60 CarbonylContact C-O 3.56Å; V54-N60 VanDerWaalsContact CA-O 3.32Å; V54-N60 WeakPolarHBondContact CA-O 3.07Å; V54-L61 HydrophobicContact CB-CD2 4.15Å; V54-L61 HydrophobicContact CG1-CD2 4.01Å; V54-L61 HydrophobicContact CG2-CD2 3.52Å; V54-S117 CarbonylContact O-C 3.57Å; V54-S117 WeakPolarHBondContact O-CA 3.5Å; V54-H118 PolarHBondContact N-O 3.46Å; V54-H118 PolarHBondContact O-N 3.03Å; V54-L120 HydrophobicContact CG2-CD1 3.69Å
55W84.6Confident88.4Confident46 Ų4658.8 Ų58.817%0.17429%0.288CS..EExtended strand (participates in β ladder)trans-148.3161.4-179.367.6-85.5000113.4N60 R103 D113W55-N60 HydrophobicContact CD2-CB 4.19Å; W55-N60 HydrophobicContact CH2-CB 4.32Å; W55-N60 HydrophobicContact CZ2-CB 3.72Å; W55-N60 PolarHBondContact N-O 3.49Å; W55-N60 PolarHBondContact O-N 3Å; W55-R103 VanDerWaalsContact CD2-NH1 3.33Å; W55-D113 HydrophobicContact CE3-CB 3.89Å; W55-D113 HydrophobicContact CZ3-CB 4.28Å; W55-D113 WeakPolarHBondContact CZ3-OD2 3.43Å
56G81.8Confident88.3Confident10 Ų1059.2 Ų59.210%0.10330%0.297CS..THydrogen-bonded Turntrans73.4173.8176.500000113.9E58 E59 D113G56-E58 VanDerWaalsContact C-N 3.26Å; G56-E58 PolarHBondContact O-N 3.48Å; G56-E59 PolarHBondContact O-N 3.34Å; G56-D113 VanDerWaalsContact CA-OD1 3.25Å; G56-D113 WeakPolarHBondContact CA-OD1 3.4Å
57K78.1Confident88Confident176 Ų17664.8 Ų64.877%0.76532%0.32SS*.THydrogen-bonded Turntrans-70.9-23.2-177.9-66.6176.3-176.9167.60113.4E59K57-E59 VanDerWaalsContact C-N 3.31Å
58E82.4Confident87.6Confident164 Ų16465.8 Ų65.877%0.76633%0.326SS*.THydrogen-bonded Turntrans-91.28.4178.6-61-176.2160.400112.7G56 N60G56-E58 VanDerWaalsContact C-N 3.26Å; G56-E58 PolarHBondContact O-N 3.48Å; E58-N60 VanDerWaalsContact C-N 3.29Å; E58-N60 PolarHBondContact O-N 3.21Å
59E83.2Confident86.5Confident151 Ų15164.4 Ų64.471%0.70633%0.332SS*.THydrogen-bonded Turntrans54.342.3177.7-55.5-174.4144.700113.2V54 G56 K57 L61V54-E59 HydrophobicContact CG1-CB 4.1Å; G56-E59 PolarHBondContact O-N 3.34Å; K57-E59 VanDerWaalsContact C-N 3.31Å; E59-L61 PolarHBondContact O-N 2.59Å
60N86.1Confident85Confident63 Ų6367.5 Ų67.534%0.33735%0.353SS..EExtended strand (participates in β ladder)trans-60.2133.3179.9-77.3-73.8000110.8V54 W55 E58V54-N60 CarbonylContact C-O 3.56Å; V54-N60 VanDerWaalsContact CA-O 3.32Å; V54-N60 WeakPolarHBondContact CA-O 3.07Å; W55-N60 HydrophobicContact CD2-CB 4.19Å; W55-N60 HydrophobicContact CH2-CB 4.32Å; W55-N60 HydrophobicContact CZ2-CB 3.72Å; W55-N60 PolarHBondContact N-O 3.49Å; W55-N60 PolarHBondContact O-N 3Å; E58-N60 VanDerWaalsContact C-N 3.29Å; E58-N60 PolarHBondContact O-N 3.21Å
61L89.4Confident83Confident130 Ų13068.8 Ų68.868%0.68137%0.372SS*.EExtended strand (participates in β ladder)trans-102.8133.7-179.7-61.5177.6000111.1V52 E53 V54 E59V52-L61 HydrophobicContact CG1-CB 4.4Å; V52-L61 HydrophobicContact CG1-CD2 4.12Å; E53-L61 WeakPolarHBondContact O-CA 3.25Å; V54-L61 HydrophobicContact CB-CD2 4.15Å; V54-L61 HydrophobicContact CG1-CD2 4.01Å; V54-L61 HydrophobicContact CG2-CD2 3.52Å; E59-L61 PolarHBondContact O-N 2.59Å
62R89.9Confident80.9Confident80 Ų8071.1 Ų71.130%0.30239%0.389SS..EExtended strand (participates in β ladder)trans-129.7128.1172.9-177.6178.5-178.6178.41.9110.3V52 E53 L64V52-R62 CarbonylContact C-O 3.51Å; V52-R62 WeakPolarHBondContact CA-O 3.18Å; V52-R62 WeakPolarHBondContact CG1-O 3.46Å; E53-R62 PolarHBondContact N-O 3.43Å; E53-R62 PolarHBondContact O-N 3Å; R62-L64 PolarHBondContact O-N 3.23Å
63D91.8Very high78.6Confident81 Ų8175.6 Ų75.643%0.43341%0.41SS..EExtended strand (participates in β ladder)trans-71.8122.8167.5-173.6-7.7000109.2L65 S66D63-L65 PolarHBondContact OD1-N 3.09Å; D63-S66 PolarHBondContact OD1-N 3.45Å
64L91.7Very high76.3Confident2 Ų284.5 Ų84.51%0.0145%0.452CS..SBendtrans-88.5-10.6-179.3-64.9173000112.6A51 E53 R62 A98 S101 R102 M119A51-L64 HydrophobicContact CB-CB 4.09Å; A51-L64 HydrophobicContact CB-CD1 4.31Å; A51-L64 PolarHBondContact O-N 3.25Å; E53-L64 HydrophobicContact CB-CD1 4.01Å; E53-L64 HydrophobicContact CB-CD2 3.81Å; E53-L64 HydrophobicContact CB-CG 3.97Å; R62-L64 PolarHBondContact O-N 3.23Å; L64-A98 HydrophobicContact CB-CB 3.95Å; L64-A98 HydrophobicContact CD1-CB 4.24Å; L64-S101 WeakPolarHBondContact O-CB 3.32Å; L64-S101 PolarHBondContact O-OG 2.99Å; L64-R102 HydrophobicContact CD1-CG 4.32Å; L64-R102 HydrophobicContact CD2-CG 4.32Å; L64-M119 HydrophobicContact CD1-CE 4.35Å; L64-M119 HydrophobicContact CD1-CG 3.8Å; L64-M119 HydrophobicContact CD1-SD 4.05Å
65L91.1Very high74Confident12 Ų1289.9 Ų89.96%0.06348%0.48CS..SBendtrans-1102.4-178.9-61-175.7000112.9I49 A51 D63 E67 V68 A69 F94 A98I49-L65 HydrophobicContact CG2-CD1 3.96Å; A51-L65 HydrophobicContact CB-CD1 4.03Å; A51-L65 HydrophobicContact CB-CD2 4.34Å; A51-L65 HydrophobicContact CB-CG 3.85Å; D63-L65 PolarHBondContact OD1-N 3.09Å; L65-E67 VanDerWaalsContact C-N 3.3Å; L65-E67 PolarHBondContact O-N 3.41Å; L65-V68 PolarHBondContact O-N 3.16Å; L65-V68 VanDerWaalsContact O-N 3.11Å; L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 3.47Å; L65-F94 HydrophobicContact CD1-CD1 4.15Å; L65-F94 HydrophobicContact CD2-CB 4.4Å; L65-F94 HydrophobicContact CD2-CD1 4.01Å; L65-F94 WeakPolarHBondContact CD2-O 3.42Å; L65-A98 HydrophobicContact CD2-CB 3.85Å
66S86.6Confident71.9Confident56 Ų5690.9 Ų90.939%0.39250%0.504SS..Hα-helixtrans-56.5-40.7-174.258.50000113.2D63 T70D63-S66 PolarHBondContact OD1-N 3.45Å; S66-T70 PolarHBondContact O-N 3.35Å; S66-T70 PolarHBondContact O-OG1 3.05Å
67E80.9Confident69.9Low139 Ų13999.7 Ų99.765%0.6554%0.542SS*.Hα-helixtrans-73.3-34179.9-62.4-173.3153.700112.4L65 T70L65-E67 VanDerWaalsContact C-N 3.3Å; L65-E67 PolarHBondContact O-N 3.41Å; E67-T70 PolarHBondContact O-OG1 3.11Å
68V79.4Confident68.1Low34 Ų3494.7 Ų94.721%0.20653%0.53CS..Hα-helixtrans-76.4-35.1179.6-171.20000110.5L65 T70 G71 S72 F93 F94 A97L65-V68 PolarHBondContact O-N 3.16Å; L65-V68 VanDerWaalsContact O-N 3.11Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.29Å; V68-G71 PolarHBondContact O-N 3.32Å; V68-S72 PolarHBondContact O-N 3Å; V68-F93 HydrophobicContact CG1-CE1 3.71Å; V68-F93 HydrophobicContact CG1-CZ 4.36Å; V68-F94 HydrophobicContact CB-CE1 4.31Å; V68-F94 HydrophobicContact CG1-CD1 3.99Å; V68-F94 HydrophobicContact CG1-CE1 3.52Å; V68-F94 HydrophobicContact CG1-CZ 4.48Å; V68-A97 HydrophobicContact CG2-CB 3.61Å
69A69Low66.2Low53 Ų5393.1 Ų93.144%0.43853%0.534SS..Hα-helixtrans-62.3-36.2176.100000112L65 G71 S72L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 3.47Å; A69-G71 VanDerWaalsContact C-N 3.33Å; A69-G71 PolarHBondContact O-N 2.87Å; A69-S72 PolarHBondContact O-N 2.85Å
70T59.2Low64.6Low97 Ų9786.6 Ų86.660%0.59551%0.507SS*.Hα-helixtrans-69.6-26.5176.540.70000114S66 E67 V68S66-T70 PolarHBondContact O-N 3.35Å; S66-T70 PolarHBondContact O-OG1 3.05Å; E67-T70 PolarHBondContact O-OG1 3.11Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.29Å
71G50.6Low62.9Low68 Ų6885.5 Ų85.570%0.70150%0.503SS*.Hα-helixtrans-81.2-18178.300000114.9V68 A69 L73V68-G71 PolarHBondContact O-N 3.32Å; A69-G71 VanDerWaalsContact C-N 3.33Å; A69-G71 PolarHBondContact O-N 2.87Å; G71-L73 VanDerWaalsContact C-N 3.34Å; G71-L73 PolarHBondContact O-N 3.39Å
72S49.4Very low61Low50 Ų5087.1 Ų87.135%0.3550%0.501SS..THydrogen-bonded Turntrans-91.312.6-177.3-170.20000114V68 A69 Q74V68-S72 PolarHBondContact O-N 3Å; A69-S72 PolarHBondContact O-N 2.85Å; S72-Q74 PolarHBondContact O-N 3.34Å
73L44.5Very low59.2Low141 Ų14185.4 Ų85.474%0.73850%0.497SS*.  trans-71.458.3174.9-98.6148.6000111.8G71G71-L73 VanDerWaalsContact C-N 3.34Å; G71-L73 PolarHBondContact O-N 3.39Å
74Q42.7Very low57.3Low188 Ų18887.5 Ų87.588%0.87952%0.517SS*.SBendtrans-126.355.4158.9-80-173.962.400108.5S72S72-Q74 PolarHBondContact O-N 3.34Å
75D41Very low55.5Low147 Ų14794.9 Ų94.979%0.78655%0.552SS**SBendtrans-172133.2136.6-133.134.1000108.7
76G41.8Very low54.5Low66 Ų66100 Ų10068%0.6858%0.579SS**  trans-61.6144.2-168.600000115.3
77Q39.8Very low54.1Low195 Ų19599.7 Ų99.791%0.91158%0.576SS**SBendtrans55.970.5158.8-70.2-179.8-85.100117.8
78S39.4Very low54.3Low71 Ų7194.6 Ų94.650%0.49756%0.557SS.*  trans-174.8143.8134.1-82.10000109.2G80S78-G80 PolarHBondContact O-N 3.48Å
79P43.3Very low54.6Low131 Ų13199.3 Ų99.385%0.85158%0.577SS**SBendtrans-7368.4174.231.1-32.9000109.9
80G49.2Very low55.4Low15 Ų1599 Ų9916%0.15557%0.566CS.*  trans-155.5112-178.900000108.7S78 Y82S78-G80 PolarHBondContact O-N 3.48Å; G80-Y82 WeakPolarHBondContact O-CD2 3.47Å; G80-Y82 PolarHBondContact O-N 3.33Å
81V49.9Very low56.8Low40 Ų4094.4 Ų94.424%0.24254%0.538CS..  trans-72117.1177179.60000108.8L83 F94V81-L83 HydrophobicContact CG1-CD2 4.47Å; V81-F94 HydrophobicContact CB-CE2 4.38Å; V81-F94 HydrophobicContact CB-CZ 4.16Å; V81-F94 HydrophobicContact CG1-CE2 4Å; V81-F94 HydrophobicContact CG1-CZ 3.86Å; V81-F94 HydrophobicContact CG2-CZ 3.89Å
82Y49.1Very low58.6Low163 Ų16392.8 Ų92.864%0.63952%0.517SS*.  trans-77.7128.3171-70.7-92.8000109.5G80 C84 K90G80-Y82 WeakPolarHBondContact O-CD2 3.47Å; G80-Y82 PolarHBondContact O-N 3.33Å; Y82-C84 PolarHBondContact O-N 3.31Å; Y82-K90 PolarHBondContact O-NZ 3.45Å
83L53.3Low60.5Low44 Ų4496 Ų9623%0.2353%0.525CS..  trans-91.298.4-178.1-48.5172.6000108.7F31 V47 V81 P87 K90 F94F31-L83 HydrophobicContact CE1-CD1 4.13Å; F31-L83 HydrophobicContact CZ-CD1 3.92Å; V47-L83 HydrophobicContact CB-CD1 4.41Å; V81-L83 HydrophobicContact CG1-CD2 4.47Å; L83-P87 HydrophobicContact CB-CB 3.77Å; L83-P87 HydrophobicContact CD1-CB 3.61Å; L83-P87 HydrophobicContact CG-CB 4.33Å; L83-K90 HydrophobicContact CB-CD 4.25Å; L83-K90 HydrophobicContact CD2-CB 3.83Å; L83-K90 HydrophobicContact CD2-CD 3.36Å; L83-K90 HydrophobicContact CD2-CG 3.44Å; L83-K90 VanDerWaalsContact CD2-CG 3.44Å; L83-K90 HydrophobicContact CG-CD 4.39Å; L83-F94 HydrophobicContact CD2-CE2 4.44Å
84C51.9Low62.7Low126 Ų12689.8 Ų89.885%0.85149%0.492SS*.  trans-100.4-16.1179.5-166.10000113.4Y82Y82-C84 PolarHBondContact O-N 3.31Å
85E52.8Low65Low157 Ų15781 Ų8173%0.73445%0.451SS*.SBendtrans-106.6152169.2-61.4-176.3139.800107.3
86D71.3Confident67.3Low119 Ų11978.7 Ų78.764%0.63644%0.439SS*.  trans-29.4110.3-165.5-92.7-56.8000112.9A88 E89 K90D86-A88 PolarHBondContact O-N 2.95Å; D86-E89 HydrophobicContact CB-CB 4.07Å; D86-E89 WeakPolarHBondContact O-CA 3.45Å; D86-E89 WeakPolarHBondContact O-CB 3.24Å; D86-E89 PolarHBondContact O-N 2.94Å; D86-K90 PolarHBondContact O-N 2.86Å
87P77.8Confident69.6Low50 Ų5076.3 Ų76.333%0.32541%0.413SS..Hα-helixtrans-66.7-20.5-16126.2-36.4000113F31 L83 A91F31-P87 HydrophobicContact CD1-CB 3.78Å; F31-P87 HydrophobicContact CD1-CG 3.79Å; F31-P87 HydrophobicContact CE1-CB 3.52Å; F31-P87 HydrophobicContact CE1-CG 4.06Å; F31-P87 WeakPolarHBondContact CE2-O 3.28Å; F31-P87 HydrophobicContact CZ-CB 4.13Å; F31-P87 VanDerWaalsContact CZ-O 3.27Å; F31-P87 WeakPolarHBondContact CZ-O 3.44Å; L83-P87 HydrophobicContact CB-CB 3.77Å; L83-P87 HydrophobicContact CD1-CB 3.61Å; L83-P87 HydrophobicContact CG-CB 4.33Å; P87-A91 WeakPolarHBondContact O-CB 3.5Å; P87-A91 PolarHBondContact O-N 2.99Å
88A85.8Confident72Confident31 Ų3167 Ų6726%0.25637%0.37SS..Hα-helixtrans-70.9-43.2169.600000112.9F31 D86 A91 A92F31-A88 HydrophobicContact CB-CB 3.96Å; F31-A88 VanDerWaalsContact CD2-CA 3.47Å; F31-A88 HydrophobicContact CD2-CB 3.78Å; F31-A88 HydrophobicContact CG-CB 4.02Å; D86-A88 PolarHBondContact O-N 2.95Å; A88-A91 PolarHBondContact O-N 3.15Å; A88-A92 PolarHBondContact O-N 3.38Å
89E84.8Confident74.4Confident133 Ų13365.6 Ų65.662%0.62136%0.356SS*.Hα-helixtrans-64.9-43.9178.1-176175-161.100110.6D86 A91 A92 F93D86-E89 HydrophobicContact CB-CB 4.07Å; D86-E89 WeakPolarHBondContact O-CA 3.45Å; D86-E89 WeakPolarHBondContact O-CB 3.24Å; D86-E89 PolarHBondContact O-N 2.94Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.85Å; E89-A92 WeakPolarHBondContact O-CB 3.3Å; E89-A92 PolarHBondContact O-N 3.02Å; E89-A92 VanDerWaalsContact O-N 3.11Å; E89-F93 PolarHBondContact O-N 3.39Å
90K85.8Confident76.5Confident48 Ų4862.4 Ų62.421%0.20934%0.34CS..Hα-helixtrans-64.9-33.3176.5-170.8163.1173.1176.80112.5Y82 L83 D86 F93 F94Y82-K90 PolarHBondContact O-NZ 3.45Å; L83-K90 HydrophobicContact CB-CD 4.25Å; L83-K90 HydrophobicContact CD2-CB 3.83Å; L83-K90 HydrophobicContact CD2-CD 3.36Å; L83-K90 HydrophobicContact CD2-CG 3.44Å; L83-K90 VanDerWaalsContact CD2-CG 3.44Å; L83-K90 HydrophobicContact CG-CD 4.39Å; D86-K90 PolarHBondContact O-N 2.86Å; K90-F93 PolarHBondContact O-N 2.96Å; K90-F94 HydrophobicContact CG-CD2 4.25Å; K90-F94 HydrophobicContact CG-CE2 3.84Å; K90-F94 WeakPolarHBondContact O-CD2 3.36Å; K90-F94 PolarHBondContact O-N 2.97Å; K90-F94 VanDerWaalsContact O-N 3.16Å
91A89.3Confident78.2Confident0 Ų062.9 Ų62.90%034%0.342CS..Hα-helixtrans-68.9-36.6172.500000112.9I27 F31 I49 P87 A88 E89 F94 L95I27-A91 HydrophobicContact CD1-CB 4.42Å; I27-A91 HydrophobicContact CG2-CB 3.68Å; F31-A91 HydrophobicContact CE2-CB 3.66Å; F31-A91 HydrophobicContact CZ-CB 4.23Å; I49-A91 HydrophobicContact CD1-CB 3.6Å; P87-A91 WeakPolarHBondContact O-CB 3.5Å; P87-A91 PolarHBondContact O-N 2.99Å; A88-A91 PolarHBondContact O-N 3.15Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.85Å; A91-F94 PolarHBondContact O-N 3.27Å; A91-L95 PolarHBondContact O-N 2.92Å; A91-L95 VanDerWaalsContact O-N 3.09Å
92A88.8Confident79.7Confident33 Ų3362.7 Ų62.727%0.27334%0.336SS..Hα-helixtrans-64.2-43.1172.300000111.3A88 E89 F94 L95 D96A88-A92 PolarHBondContact O-N 3.38Å; E89-A92 WeakPolarHBondContact O-CB 3.3Å; E89-A92 PolarHBondContact O-N 3.02Å; E89-A92 VanDerWaalsContact O-N 3.11Å; A92-F94 VanDerWaalsContact C-N 3.32Å; A92-F94 PolarHBondContact O-N 3.4Å; A92-L95 WeakPolarHBondContact O-CA 3.29Å; A92-L95 VanDerWaalsContact O-CB 3.28Å; A92-L95 WeakPolarHBondContact O-CB 3.34Å; A92-L95 PolarHBondContact O-N 3.2Å; A92-D96 PolarHBondContact O-N 3.08Å
93F88.6Confident80.7Confident117 Ų11758.1 Ų58.151%0.51332%0.318SS..Hα-helixtrans-55.4-44.7173.6172-95.1000112.7V68 E89 K90 L95 D96 A97V68-F93 HydrophobicContact CG1-CE1 3.71Å; V68-F93 HydrophobicContact CG1-CZ 4.36Å; E89-F93 PolarHBondContact O-N 3.39Å; K90-F93 PolarHBondContact O-N 2.96Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 3.39Å; F93-D96 PolarHBondContact O-N 3.5Å; F93-A97 WeakPolarHBondContact O-CB 3.46Å; F93-A97 PolarHBondContact O-N 3.06Å
94F90.3Very high81.2Confident11 Ų1157.6 Ų57.65%0.04832%0.318CS..Hα-helixtrans-66-32.9175.5-77.2-64.3000113I49 L65 V68 V81 L83 K90 A91 A92 A98 F121I49-F94 HydrophobicContact CD1-CB 4.21Å; I49-F94 HydrophobicContact CD1-CD2 3.83Å; I49-F94 HydrophobicContact CD1-CG 4.36Å; I49-F94 HydrophobicContact CG2-CB 4.19Å; L65-F94 HydrophobicContact CD1-CD1 4.15Å; L65-F94 HydrophobicContact CD2-CB 4.4Å; L65-F94 HydrophobicContact CD2-CD1 4.01Å; L65-F94 WeakPolarHBondContact CD2-O 3.42Å; V68-F94 HydrophobicContact CB-CE1 4.31Å; V68-F94 HydrophobicContact CG1-CD1 3.99Å; V68-F94 HydrophobicContact CG1-CE1 3.52Å; V68-F94 HydrophobicContact CG1-CZ 4.48Å; V81-F94 HydrophobicContact CB-CE2 4.38Å; V81-F94 HydrophobicContact CB-CZ 4.16Å; V81-F94 HydrophobicContact CG1-CE2 4Å; V81-F94 HydrophobicContact CG1-CZ 3.86Å; V81-F94 HydrophobicContact CG2-CZ 3.89Å; L83-F94 HydrophobicContact CD2-CE2 4.44Å; K90-F94 HydrophobicContact CG-CD2 4.25Å; K90-F94 HydrophobicContact CG-CE2 3.84Å; K90-F94 WeakPolarHBondContact O-CD2 3.36Å; K90-F94 PolarHBondContact O-N 2.97Å; K90-F94 VanDerWaalsContact O-N 3.16Å; A91-F94 PolarHBondContact O-N 3.27Å; A92-F94 VanDerWaalsContact C-N 3.32Å; A92-F94 PolarHBondContact O-N 3.4Å; F94-A98 VanDerWaalsContact O-CB 3.32Å; F94-A98 WeakPolarHBondContact O-CB 3.42Å; F94-A98 PolarHBondContact O-N 2.73Å; F94-F121 HydrophobicContact CB-CE2 4.49Å
95L91Very high81.7Confident4 Ų457.6 Ų57.62%0.02131%0.31CS..Hα-helixtrans-63.7-48.1173.6178.263.3000110.6I23 I27 A91 A92 F93 A97 A98 I99 M119 F121I23-L95 HydrophobicContact CB-CD2 4.15Å; I23-L95 HydrophobicContact CD1-CD1 4.44Å; I23-L95 HydrophobicContact CG2-CD1 3.9Å; I23-L95 HydrophobicContact CG2-CD2 3.58Å; I23-L95 HydrophobicContact CG2-CG 4.37Å; I27-L95 HydrophobicContact CD1-CD2 4.24Å; A91-L95 PolarHBondContact O-N 2.92Å; A91-L95 VanDerWaalsContact O-N 3.09Å; A92-L95 WeakPolarHBondContact O-CA 3.29Å; A92-L95 VanDerWaalsContact O-CB 3.28Å; A92-L95 WeakPolarHBondContact O-CB 3.34Å; A92-L95 PolarHBondContact O-N 3.2Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 3.39Å; L95-A97 PolarHBondContact O-N 2.82Å; L95-A98 PolarHBondContact O-N 3.34Å; L95-I99 HydrophobicContact CD1-CD1 4.01Å; L95-I99 HydrophobicContact CD1-CG1 4.36Å; L95-I99 HydrophobicContact CG-CD1 3.8Å; L95-I99 WeakPolarHBondContact O-CD1 3.43Å; L95-I99 VanDerWaalsContact O-CG1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.03Å; L95-I99 PolarHBondContact O-N 2.8Å; L95-M119 HydrophobicContact CD1-CE 4.02Å; L95-F121 HydrophobicContact CB-CE1 4.44Å; L95-F121 HydrophobicContact CB-CE2 4.06Å; L95-F121 HydrophobicContact CB-CZ 3.89Å; L95-F121 HydrophobicContact CD1-CD1 4.29Å; L95-F121 HydrophobicContact CD1-CD2 3.96Å; L95-F121 HydrophobicContact CD1-CE1 4.42Å; L95-F121 HydrophobicContact CD1-CE2 4.13Å; L95-F121 HydrophobicContact CD1-CG 4.05Å; L95-F121 HydrophobicContact CD1-CZ 4.35Å
96D89.6Confident82.2Confident98 Ų9854.9 Ų54.952%0.52430%0.297SS..Hα-helixtrans-62-44.4179.4-64.6-31.3000111.5A92 F93 A98 I99 A100A92-D96 PolarHBondContact O-N 3.08Å; F93-D96 PolarHBondContact O-N 3.5Å; D96-A98 VanDerWaalsContact C-N 3.33Å; D96-A98 PolarHBondContact O-N 3.11Å; D96-I99 PolarHBondContact O-N 3.3Å; D96-A100 WeakPolarHBondContact O-CB 3.37Å; D96-A100 PolarHBondContact O-N 2.85Å
97A90.1Very high81.4Confident17 Ų1758.8 Ų58.814%0.1431%0.311CS..Hα-helixtrans-62.5-39.6176.500000112.4V68 F93 L95 A100 S101V68-A97 HydrophobicContact CG2-CB 3.61Å; F93-A97 WeakPolarHBondContact O-CB 3.46Å; F93-A97 PolarHBondContact O-N 3.06Å; L95-A97 PolarHBondContact O-N 2.82Å; A97-A100 PolarHBondContact O-N 3.08Å; A97-S101 WeakPolarHBondContact O-CB 3.46Å; A97-S101 PolarHBondContact O-N 3.04Å; A97-S101 VanDerWaalsContact O-N 3.07Å; A97-S101 PolarHBondContact O-OG 3.44Å
98A90.9Very high80.5Confident0 Ų063.9 Ų63.90%034%0.336CS..Hα-helixtrans-66.8-40.1175.800000112.1A51 L64 L65 F94 L95 D96 S101 R102 M119A51-A98 HydrophobicContact CB-CB 3.58Å; L64-A98 HydrophobicContact CB-CB 3.95Å; L64-A98 HydrophobicContact CD1-CB 4.24Å; L65-A98 HydrophobicContact CD2-CB 3.85Å; F94-A98 VanDerWaalsContact O-CB 3.32Å; F94-A98 WeakPolarHBondContact O-CB 3.42Å; F94-A98 PolarHBondContact O-N 2.73Å; L95-A98 PolarHBondContact O-N 3.34Å; D96-A98 VanDerWaalsContact C-N 3.33Å; D96-A98 PolarHBondContact O-N 3.11Å; A98-S101 PolarHBondContact O-N 3.08Å; A98-R102 WeakPolarHBondContact O-CG 3.07Å; A98-R102 PolarHBondContact O-N 3.27Å; A98-M119 HydrophobicContact CB-CE 3.52Å
99I88.3Confident79.1Confident41 Ų4163.5 Ų63.521%0.2133%0.331CS..Hα-helixtrans-63.5-45.1176.1-67.8161.2000110.5I11 L95 D96 S101 R102 M119I11-I99 HydrophobicContact CB-CD1 4.37Å; I11-I99 HydrophobicContact CD1-CD1 3.74Å; I11-I99 HydrophobicContact CD1-CG1 3.82Å; I11-I99 HydrophobicContact CG1-CD1 3.92Å; I11-I99 HydrophobicContact CG1-CG1 4.44Å; I11-I99 HydrophobicContact CG2-CD1 3.53Å; L95-I99 HydrophobicContact CD1-CD1 4.01Å; L95-I99 HydrophobicContact CD1-CG1 4.36Å; L95-I99 HydrophobicContact CG-CD1 3.8Å; L95-I99 WeakPolarHBondContact O-CD1 3.43Å; L95-I99 VanDerWaalsContact O-CG1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.03Å; L95-I99 PolarHBondContact O-N 2.8Å; D96-I99 PolarHBondContact O-N 3.3Å; I99-S101 VanDerWaalsContact C-N 3.26Å; I99-S101 PolarHBondContact O-N 3.44Å; I99-R102 WeakPolarHBondContact O-CB 3.35Å; I99-R102 PolarHBondContact O-N 3.39Å; I99-M119 HydrophobicContact CG1-CE 4.37Å; I99-M119 HydrophobicContact CG1-SD 4.43Å
100A87.6Confident78.1Confident63 Ų6363 Ų6352%0.52133%0.333SS..Hα-helixtrans-62.6-34.1179.100000112.5D96 A97 R102D96-A100 WeakPolarHBondContact O-CB 3.37Å; D96-A100 PolarHBondContact O-N 2.85Å; A97-A100 PolarHBondContact O-N 3.08Å; A100-R102 VanDerWaalsContact C-N 3.3Å; A100-R102 PolarHBondContact O-N 3.38Å
101S86.2Confident77.1Confident26 Ų2668.5 Ų68.518%0.18236%0.359CS..THydrogen-bonded Turntrans-79.4-6.6-178.9-58.30000114.4L64 A97 A98 I99L64-S101 WeakPolarHBondContact O-CB 3.32Å; L64-S101 PolarHBondContact O-OG 2.99Å; A97-S101 WeakPolarHBondContact O-CB 3.46Å; A97-S101 PolarHBondContact O-N 3.04Å; A97-S101 VanDerWaalsContact O-N 3.07Å; A97-S101 PolarHBondContact O-OG 3.44Å; A98-S101 PolarHBondContact O-N 3.08Å; I99-S101 VanDerWaalsContact C-N 3.26Å; I99-S101 PolarHBondContact O-N 3.44Å
102R81.1Confident75.8Confident35 Ų3573.4 Ų73.413%0.13239%0.386CS..SBendtrans-62.8140-179.3-72.1-170.567.8-138.70.6111.6E53 L64 A98 I99 A100 S104 N105 S117 M119E53-R102 IonicContact OE1-NE 3.52Å; E53-R102 IonicContact OE1-NH2 3.89Å; L64-R102 HydrophobicContact CD1-CG 4.32Å; L64-R102 HydrophobicContact CD2-CG 4.32Å; A98-R102 WeakPolarHBondContact O-CG 3.07Å; A98-R102 PolarHBondContact O-N 3.27Å; I99-R102 WeakPolarHBondContact O-CB 3.35Å; I99-R102 PolarHBondContact O-N 3.39Å; A100-R102 VanDerWaalsContact C-N 3.3Å; A100-R102 PolarHBondContact O-N 3.38Å; R102-S104 PolarHBondContact NH1-OG 3.25Å; R102-S104 VanDerWaalsContact NH1-OG 3.13Å; R102-S104 PolarHBondContact O-N 3.07Å; R102-S104 VanDerWaalsContact O-N 3.08Å; R102-N105 PolarHBondContact O-N 3.46Å; R102-S117 PolarHBondContact NH2-OG 3.37Å; R102-M119 HydrophobicContact CG-SD 4.32Å
103R69.4Low74.6Confident68 Ų6873.6 Ų73.626%0.25738%0.382SS..G310 helixtrans-57.1-25.6172.7-89.8-172.8129.4-152.9-0.7113.4E53 W55 N105 Q106 C109E53-R103 PolarHBondContact OE1-N 3.42Å; E53-R103 WeakPolarHBondContact OE2-CB 3.36Å; E53-R103 PolarHBondContact OE2-N 3.5Å; W55-R103 VanDerWaalsContact CD2-NH1 3.33Å; R103-N105 PolarHBondContact O-N 2.89Å; R103-N105 VanDerWaalsContact O-N 3.08Å; R103-Q106 WeakPolarHBondContact O-CB 3.39Å; R103-Q106 PolarHBondContact O-N 2.92Å; R103-C109 PolarHBondContact O-SG 2.96Å
104S64.9Low73.5Confident33 Ų3371.6 Ų71.623%0.23137%0.374CS..G310 helixtrans-60.3-21.4177.665.10000114.2R102 H114R102-S104 PolarHBondContact NH1-OG 3.25Å; R102-S104 VanDerWaalsContact NH1-OG 3.13Å; R102-S104 PolarHBondContact O-N 3.07Å; R102-S104 VanDerWaalsContact O-N 3.08Å; S104-H114 WeakPolarHBondContact CA-CE1 3.49Å; S104-H114 WeakPolarHBondContact CA-NE2 3.12Å; S104-H114 WeakPolarHBondContact CB-NE2 3.47Å; S104-H114 PolarHBondContact O-CE1 3.34Å; S104-H114 PolarHBondContact O-NE2 2.85Å
105N61.8Low72.4Confident126 Ų12678.7 Ų78.767%0.67440%0.4SS*.G310 helixtrans-88.6-5.8174.4-98.912000113.6R102 R103R102-N105 PolarHBondContact O-N 3.46Å; R103-N105 PolarHBondContact O-N 2.89Å; R103-N105 VanDerWaalsContact O-N 3.08Å
106Q62.7Low71.5Confident100 Ų10082.3 Ų82.347%0.46742%0.42SS..SBendtrans-96.9128.2-173.4-150171.1-11.600110R103 D108R103-Q106 WeakPolarHBondContact O-CB 3.39Å; R103-Q106 PolarHBondContact O-N 2.92Å; Q106-D108 PolarHBondContact O-N 3.48Å; Q106-D108 VanDerWaalsContact O-N 3.09Å
107Q55.6Low71.1Confident200 Ų20078.4 Ų78.494%0.93540%0.4SS*.THydrogen-bonded Turntrans-68-9.8-165.2-124.3159.9-4.100115.8
108D58.6Low71Confident157 Ų15783.3 Ų83.384%0.8442%0.42SS*.THydrogen-bonded Turntrans-109.319.7-172.5-84.4-30.8000114.6Q106Q106-D108 PolarHBondContact O-N 3.48Å; Q106-D108 VanDerWaalsContact O-N 3.09Å
109C56.3Low71Confident24 Ų2485.7 Ų85.716%0.16243%0.432CS..  trans-92.2127.7-176.8-65.90000112.7R103 E111 H114R103-C109 PolarHBondContact O-SG 2.96Å; C109-E111 PolarHBondContact O-N 3.33Å; C109-H114 WeakPolarHBondContact CB-ND1 3.45Å
110D64.1Low71.1Confident121 Ų12188.1 Ų88.165%0.64745%0.445SS*.  trans-53.4135.4170.1-75-37.7000110.9D112 D113 H114D110-D112 PolarHBondContact O-N 3.1Å; D110-D112 VanDerWaalsContact O-N 3.09Å; D110-D113 PolarHBondContact O-N 3.48Å; D110-H114 PolarHBondContact O-N 3.13Å; D110-H114 VanDerWaalsContact O-N 3.1Å
111E63.4Low71.4Confident164 Ų16486.8 Ų86.877%0.76643%0.427SS*.Hα-helixtrans-58.2-28.4-174.2-64.7-166.5140.200113.2C109 H114 R115C109-E111 PolarHBondContact O-N 3.33Å; E111-H114 WeakPolarHBondContact O-CB 3.23Å; E111-R115 PolarHBondContact O-N 3.45Å
112D61.9Low71.8Confident104 Ų10488.2 Ų88.256%0.55644%0.435SS*.Hα-helixtrans-73.5-40177.3-81.6-28.3000112.5D110 H114 R115 N116D110-D112 PolarHBondContact O-N 3.1Å; D110-D112 VanDerWaalsContact O-N 3.09Å; D112-H114 VanDerWaalsContact C-N 3.28Å; D112-H114 PolarHBondContact O-N 3.05Å; D112-R115 PolarHBondContact O-N 3.09Å; D112-N116 PolarHBondContact O-N 2.98Å
113D64.5Low72.3Confident37 Ų3788.6 Ų88.620%0.19844%0.44CS..Hα-helixtrans-68.8-33175.9-77.3-19.3000111.3W55 G56 D110 R115 N116 S117W55-D113 HydrophobicContact CE3-CB 3.89Å; W55-D113 HydrophobicContact CZ3-CB 4.28Å; W55-D113 WeakPolarHBondContact CZ3-OD2 3.43Å; G56-D113 VanDerWaalsContact CA-OD1 3.25Å; G56-D113 WeakPolarHBondContact CA-OD1 3.4Å; D110-D113 PolarHBondContact O-N 3.48Å; D113-R115 VanDerWaalsContact C-N 3.32Å; D113-R115 PolarHBondContact O-N 3.02Å; D113-N116 PolarHBondContact O-N 3.11Å; D113-S117 PolarHBondContact O-N 3.24Å
114H65.5Low73.4Confident75 Ų7588.7 Ų88.735%0.34744%0.443SS..Hα-helixtrans-63-36.9175.4-130.4101.2000112.8S104 C109 D110 E111 D112S104-H114 WeakPolarHBondContact CA-CE1 3.49Å; S104-H114 WeakPolarHBondContact CA-NE2 3.12Å; S104-H114 WeakPolarHBondContact CB-NE2 3.47Å; S104-H114 PolarHBondContact O-CE1 3.34Å; S104-H114 PolarHBondContact O-NE2 2.85Å; C109-H114 WeakPolarHBondContact CB-ND1 3.45Å; D110-H114 PolarHBondContact O-N 3.13Å; D110-H114 VanDerWaalsContact O-N 3.1Å; E111-H114 WeakPolarHBondContact O-CB 3.23Å; D112-H114 VanDerWaalsContact C-N 3.28Å; D112-H114 PolarHBondContact O-N 3.05Å
115R66.3Low74.7Confident159 Ų15991 Ų9160%0.645%0.451SS*.Hα-helixtrans-76.5-23.1179.6-80.5-174.7178.6169.111.8113.7E111 D112 D113E111-R115 PolarHBondContact O-N 3.45Å; D112-R115 PolarHBondContact O-N 3.09Å; D113-R115 VanDerWaalsContact C-N 3.32Å; D113-R115 PolarHBondContact O-N 3.02Å
116N73.2Confident76.1Confident81 Ų8189.7 Ų89.743%0.43344%0.438SS..THydrogen-bonded Turntrans-108.423.4-178.2-70.1-12.9000112.9D112 D113D112-N116 PolarHBondContact O-N 2.98Å; D113-N116 PolarHBondContact O-N 3.11Å
117S80.9Confident77.4Confident15 Ų1589.8 Ų89.811%0.10544%0.438CS..  trans-88.4127.41711590000111.2E53 V54 R102 D113E53-S117 PolarHBondContact OE1-OG 2.85Å; V54-S117 CarbonylContact O-C 3.57Å; V54-S117 WeakPolarHBondContact O-CA 3.5Å; R102-S117 PolarHBondContact NH2-OG 3.37Å; D113-S117 PolarHBondContact O-N 3.24Å
118H88.3Confident78.7Confident121 Ų12186.1 Ų86.156%0.5642%0.417SS*.EExtended strand (participates in β ladder)trans-122.3129.3174.8-63.1-72.8000110.2E53 V54E53-H118 WeakPolarHBondContact CA-O 3.42Å; V54-H118 PolarHBondContact N-O 3.46Å; V54-H118 PolarHBondContact O-N 3.03Å
119M89.8Confident79.4Confident50 Ų5089 Ų8925%0.24642%0.416CS..EExtended strand (participates in β ladder)trans-99.6131.3174.1175178.1167.900109.9A51 L64 L95 A98 I99 R102 F121A51-M119 HydrophobicContact CB-CE 4.43Å; L64-M119 HydrophobicContact CD1-CE 4.35Å; L64-M119 HydrophobicContact CD1-CG 3.8Å; L64-M119 HydrophobicContact CD1-SD 4.05Å; L95-M119 HydrophobicContact CD1-CE 4.02Å; A98-M119 HydrophobicContact CB-CE 3.52Å; I99-M119 HydrophobicContact CG1-CE 4.37Å; I99-M119 HydrophobicContact CG1-SD 4.43Å; R102-M119 HydrophobicContact CG-SD 4.32Å; M119-F121 HydrophobicContact CE-CB 4.04Å; M119-F121 HydrophobicContact CE-CD2 3.91Å; M119-F121 HydrophobicContact CE-CG 4.37Å
120L92.2Very high79.4Confident92 Ų9298.4 Ų98.448%0.48246%0.46SS..EExtended strand (participates in β ladder)trans-111.2115.2170.5-66.889.1000108.4A51 V52 V54A51-L120 VanDerWaalsContact CA-O 3.26Å; A51-L120 WeakPolarHBondContact CA-O 3.28Å; V52-L120 PolarHBondContact N-O 3.4Å; V52-L120 PolarHBondContact O-N 3.42Å; V54-L120 HydrophobicContact CG2-CD1 3.69Å
121F92.9Very high80.2Confident34 Ų3497.3 Ų97.315%0.14945%0.451CS..EExtended strand (participates in β ladder)trans-108.2120.9172.6-168.7-99.6000108.7I23 I27 I49 A51 F94 L95 M119 L123I23-F121 HydrophobicContact CG2-CD1 4.15Å; I27-F121 HydrophobicContact CD1-CE1 3.98Å; I49-F121 HydrophobicContact CG2-CD2 4.44Å; I49-F121 HydrophobicContact CG2-CE1 4.21Å; I49-F121 HydrophobicContact CG2-CE2 3.61Å; I49-F121 HydrophobicContact CG2-CZ 3.48Å; I49-F121 VanDerWaalsContact CG2-CZ 3.48Å; A51-F121 HydrophobicContact CB-CD2 3.71Å; A51-F121 HydrophobicContact CB-CE2 4.27Å; F94-F121 HydrophobicContact CB-CE2 4.49Å; L95-F121 HydrophobicContact CB-CE1 4.44Å; L95-F121 HydrophobicContact CB-CE2 4.06Å; L95-F121 HydrophobicContact CB-CZ 3.89Å; L95-F121 HydrophobicContact CD1-CD1 4.29Å; L95-F121 HydrophobicContact CD1-CD2 3.96Å; L95-F121 HydrophobicContact CD1-CE1 4.42Å; L95-F121 HydrophobicContact CD1-CE2 4.13Å; L95-F121 HydrophobicContact CD1-CG 4.05Å; L95-F121 HydrophobicContact CD1-CZ 4.35Å; M119-F121 HydrophobicContact CE-CB 4.04Å; M119-F121 HydrophobicContact CE-CD2 3.91Å; M119-F121 HydrophobicContact CE-CG 4.37Å; F121-L123 HydrophobicContact CD1-CD1 3.74Å; F121-L123 HydrophobicContact CE1-CD1 3.55Å; F121-L123 HydrophobicContact CE1-CG 4.39Å
122T94.3Very high81.1Confident57 Ų5793.8 Ų93.835%0.3543%0.434SS..EExtended strand (participates in β ladder)trans-128.7127.7-172.4-53.40000111I49 S50I49-T122 WeakPolarHBondContact CA-O 3.43Å; S50-T122 PolarHBondContact N-O 3.16Å; S50-T122 PolarHBondContact O-N 3.09Å
123L92.4Very high82.1Confident43 Ų4393.2 Ų93.223%0.22543%0.427CS..EExtended strand (participates in β ladder)trans-100.3117.1169.7-67.282.1000108.9I27 L30 F31 V47 R48 I49 F121I27-L123 HydrophobicContact CG1-CD1 4.48Å; I27-L123 HydrophobicContact CG1-CD2 4.28Å; L30-L123 HydrophobicContact CD2-CB 4.38Å; L30-L123 HydrophobicContact CD2-CD2 3.61Å; F31-L123 HydrophobicContact CE2-CD2 4.29Å; V47-L123 HydrophobicContact CG1-CB 4.34Å; V47-L123 HydrophobicContact CG1-CD2 4.35Å; R48-L123 CarbonylContact O-C 3.49Å; R48-L123 WeakPolarHBondContact O-CA 3.02Å; I49-L123 HydrophobicContact CG1-CG 4.41Å; F121-L123 HydrophobicContact CD1-CD1 3.74Å; F121-L123 HydrophobicContact CE1-CD1 3.55Å; F121-L123 HydrophobicContact CE1-CG 4.39Å
124H93Very high83.2Confident70 Ų7096.5 Ų96.532%0.32444%0.441SS..EExtended strand (participates in β ladder)trans-94.4114.1177-57.2-92.2000109V47 R48 S50 Y126V47-H124 CarbonylContact C-O 3.56Å; V47-H124 VanDerWaalsContact CA-O 3.31Å; V47-H124 WeakPolarHBondContact CA-O 3.23Å; R48-H124 HydrophobicContact CB-CB 4.25Å; R48-H124 PolarHBondContact N-O 2.81Å; R48-H124 PolarHBondContact O-N 3.39Å; S50-H124 PolarHBondContact OG-NE2 2.75Å; H124-Y126 HydrophobicContact CB-CE2 3.71Å
125I91.9Very high84.3Confident80 Ų8097.9 Ų97.941%0.4145%0.447SS..EExtended strand (participates in β ladder)trans-105.8122.7-175.9-53158.2000109.1L30 I34 F45L30-I125 HydrophobicContact CD1-CD1 3.54Å; L30-I125 HydrophobicContact CD2-CD1 3.84Å; L30-I125 HydrophobicContact CD2-CG1 4.27Å; L30-I125 HydrophobicContact CG-CD1 4.27Å; I34-I125 HydrophobicContact CD1-CG2 4.36Å; F45-I125 HydrophobicContact CD1-CG2 4.03Å
126Y90.8Very high85.5Confident100 Ų10093.8 Ų93.839%0.39244%0.436SS..EExtended strand (participates in β ladder)trans-113.8122.3175.9-56.5-85.9000109.2F45 S46 R48 H124F45-Y126 CarbonylContact C-O 3.59Å; F45-Y126 VanDerWaalsContact CA-O 3.23Å; F45-Y126 WeakPolarHBondContact CA-O 3.21Å; S46-Y126 PolarHBondContact N-O 3.04Å; S46-Y126 PolarHBondContact O-N 3.49Å; R48-Y126 HydrophobicContact CB-CE2 4.49Å; R48-Y126 HydrophobicContact CG-CE2 4.12Å; H124-Y126 HydrophobicContact CB-CE2 3.71Å
127Q89.3Confident86.4Confident101 Ų10194.7 Ų94.747%0.47244%0.437SS..EExtended strand (participates in β ladder)trans-102.2124.2172.4-176.4-178.6-3.900109.4A43 F45A43-Q127 HydrophobicContact CB-CG 4.28Å; F45-Q127 HydrophobicContact CD1-CB 3.92Å; F45-Q127 HydrophobicContact CD1-CG 4.17Å; F45-Q127 HydrophobicContact CE1-CB 3.68Å; F45-Q127 HydrophobicContact CE1-CG 3.66Å; F45-Q127 HydrophobicContact CZ-CB 4.41Å; F45-Q127 HydrophobicContact CZ-CG 3.87Å
128Y84.2Confident86.8Confident123 Ų123100.8 Ų100.848%0.48246%0.462SS..EExtended strand (participates in β ladder)trans-94.5129.4172-56.3-89.8000109R44R44-Y128 HydrophobicContact CB-CD2 4.33Å; R44-Y128 PolarHBondContact O-N 3.21Å
129R71.6Confident86.7Confident218 Ų21899.2 Ų99.282%0.82345%0.454SS*.PPolyproline II helixtrans-98.5133.1168.1-69.5-176.6168.7167.8-2.9107.9
130M57.8Low86.4Confident222 Ų222103.6 Ų103.6100%1.09447%0.473SS*.  trans-78.10164.6-69.3-81.7-173.800108.6

Retrieved 130 of 130 residues in 314 ms (Link to these results)